----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:46:18]------------------------- 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 2.043410385000000 -7.899021955000000 0.000000000000000 b 2.043410385000000 7.899021955000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.759501439999998 Atomic positions (fractional): *1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 2 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 *3 Cs 0.25622115424512 0.74377884575488 0.75000000000000 132.905 4 Cs 0.74377884575488 0.25622115424512 0.25000000000000 132.905 *5 Se 0.61790685102279 0.38209314897721 0.94191233429104 78.960 6 Se 0.38209314897721 0.61790685102279 0.05808766570896 78.960 7 Se 0.38209314897721 0.61790685102279 0.44191233429104 78.960 8 Se 0.61790685102279 0.38209314897721 0.55808766570896 78.960 *9 Se 0.94279818982070 0.05720181017930 0.75000000000000 78.960 10 Se 0.05720181017930 0.94279818982070 0.25000000000000 78.960 *11 Zn 0.53747805506837 0.46252194493163 0.75000000000000 65.380 12 Zn 0.46252194493163 0.53747805506837 0.25000000000000 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.086820770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.798043910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.759501439999998 Atomic positions (fractional): *1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 1 2 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 2 3 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 1 4 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 2 *5 Cs 0.50000000000000 0.24377884575488 0.75000000000000 132.905 > 3 6 Cs 0.00000000000000 0.25622115424512 0.25000000000000 132.905 > 4 7 Cs 0.00000000000000 0.74377884575488 0.75000000000000 132.905 > 3 8 Cs 0.50000000000000 0.75622115424512 0.25000000000000 132.905 > 4 *9 Se 0.00000000000000 0.38209314897721 0.94191233429104 78.960 > 5 10 Se 0.50000000000000 0.11790685102279 0.05808766570896 78.960 > 6 11 Se 0.50000000000000 0.11790685102279 0.44191233429104 78.960 > 7 12 Se 0.00000000000000 0.38209314897721 0.55808766570896 78.960 > 8 *13 Se 0.00000000000000 0.05720181017930 0.75000000000000 78.960 > 9 14 Se 0.50000000000000 0.44279818982070 0.25000000000000 78.960 > 10 15 Se 0.50000000000000 0.88209314897721 0.94191233429104 78.960 > 5 16 Se 0.00000000000000 0.61790685102279 0.05808766570896 78.960 > 6 17 Se 0.00000000000000 0.61790685102279 0.44191233429104 78.960 > 7 18 Se 0.50000000000000 0.88209314897721 0.55808766570896 78.960 > 8 19 Se 0.50000000000000 0.55720181017930 0.75000000000000 78.960 > 9 20 Se 0.00000000000000 0.94279818982070 0.25000000000000 78.960 > 10 *21 Zn 0.00000000000000 0.46252194493163 0.75000000000000 65.380 > 11 22 Zn 0.50000000000000 0.03747805506837 0.25000000000000 65.380 > 12 23 Zn 0.50000000000000 0.96252194493163 0.75000000000000 65.380 > 11 24 Zn 0.00000000000000 0.53747805506837 0.25000000000000 65.380 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.260462310000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.798043910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 21.519002879999995 Atomic positions (fractional): *1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 1 2 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 1 3 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 1 4 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 1 5 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 1 6 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 1 7 Ho 0.00000000000000 0.00000000000000 0.25000000000000 164.930 > 2 8 Ho 0.33333333333333 0.00000000000000 0.25000000000000 164.930 > 2 9 Ho 0.66666666666667 0.00000000000000 0.25000000000000 164.930 > 2 10 Ho 0.00000000000000 0.00000000000000 0.75000000000000 164.930 > 2 11 Ho 0.33333333333333 0.00000000000000 0.75000000000000 164.930 > 2 12 Ho 0.66666666666667 0.00000000000000 0.75000000000000 164.930 > 2 13 Ho 0.16666666666667 0.50000000000000 0.00000000000000 164.930 > 1 14 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 1 15 Ho 0.83333333333333 0.50000000000000 0.00000000000000 164.930 > 1 16 Ho 0.16666666666667 0.50000000000000 0.50000000000000 164.930 > 1 17 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 1 18 Ho 0.83333333333333 0.50000000000000 0.50000000000000 164.930 > 1 19 Ho 0.16666666666667 0.50000000000000 0.25000000000000 164.930 > 2 20 Ho 0.50000000000000 0.50000000000000 0.25000000000000 164.930 > 2 21 Ho 0.83333333333333 0.50000000000000 0.25000000000000 164.930 > 2 22 Ho 0.16666666666667 0.50000000000000 0.75000000000000 164.930 > 2 23 Ho 0.50000000000000 0.50000000000000 0.75000000000000 164.930 > 2 24 Ho 0.83333333333333 0.50000000000000 0.75000000000000 164.930 > 2 *25 Cs 0.16666666666667 0.24377884575488 0.37500000000000 132.905 > 3 26 Cs 0.50000000000000 0.24377884575488 0.37500000000000 132.905 > 3 27 Cs 0.83333333333333 0.24377884575488 0.37500000000000 132.905 > 3 28 Cs 0.16666666666667 0.24377884575488 0.87500000000000 132.905 > 3 29 Cs 0.50000000000000 0.24377884575488 0.87500000000000 132.905 > 3 30 Cs 0.83333333333333 0.24377884575488 0.87500000000000 132.905 > 3 31 Cs 0.00000000000000 0.25622115424512 0.12500000000000 132.905 > 4 32 Cs 0.33333333333333 0.25622115424512 0.12500000000000 132.905 > 4 33 Cs 0.66666666666667 0.25622115424512 0.12500000000000 132.905 > 4 34 Cs 0.00000000000000 0.25622115424512 0.62500000000000 132.905 > 4 35 Cs 0.33333333333333 0.25622115424512 0.62500000000000 132.905 > 4 36 Cs 0.66666666666667 0.25622115424512 0.62500000000000 132.905 > 4 37 Cs 0.00000000000000 0.74377884575488 0.37500000000000 132.905 > 3 38 Cs 0.33333333333333 0.74377884575488 0.37500000000000 132.905 > 3 39 Cs 0.66666666666667 0.74377884575488 0.37500000000000 132.905 > 3 40 Cs 0.00000000000000 0.74377884575488 0.87500000000000 132.905 > 3 41 Cs 0.33333333333333 0.74377884575488 0.87500000000000 132.905 > 3 42 Cs 0.66666666666667 0.74377884575488 0.87500000000000 132.905 > 3 43 Cs 0.16666666666667 0.75622115424512 0.12500000000000 132.905 > 4 44 Cs 0.50000000000000 0.75622115424512 0.12500000000000 132.905 > 4 45 Cs 0.83333333333333 0.75622115424512 0.12500000000000 132.905 > 4 46 Cs 0.16666666666667 0.75622115424512 0.62500000000000 132.905 > 4 47 Cs 0.50000000000000 0.75622115424512 0.62500000000000 132.905 > 4 48 Cs 0.83333333333333 0.75622115424512 0.62500000000000 132.905 > 4 *49 Se 0.00000000000000 0.38209314897721 0.47095616714552 78.960 > 5 50 Se 0.33333333333333 0.38209314897721 0.47095616714552 78.960 > 5 51 Se 0.66666666666667 0.38209314897721 0.47095616714552 78.960 > 5 52 Se 0.00000000000000 0.38209314897721 0.97095616714552 78.960 > 5 53 Se 0.33333333333333 0.38209314897721 0.97095616714552 78.960 > 5 54 Se 0.66666666666667 0.38209314897721 0.97095616714552 78.960 > 5 55 Se 0.16666666666667 0.11790685102279 0.02904383285448 78.960 > 6 56 Se 0.50000000000000 0.11790685102279 0.02904383285448 78.960 > 6 57 Se 0.83333333333333 0.11790685102279 0.02904383285448 78.960 > 6 58 Se 0.16666666666667 0.11790685102279 0.52904383285448 78.960 > 6 59 Se 0.50000000000000 0.11790685102279 0.52904383285448 78.960 > 6 60 Se 0.83333333333333 0.11790685102279 0.52904383285448 78.960 > 6 61 Se 0.16666666666667 0.11790685102279 0.22095616714552 78.960 > 7 62 Se 0.50000000000000 0.11790685102279 0.22095616714552 78.960 > 7 63 Se 0.83333333333333 0.11790685102279 0.22095616714552 78.960 > 7 64 Se 0.16666666666667 0.11790685102279 0.72095616714552 78.960 > 7 65 Se 0.50000000000000 0.11790685102279 0.72095616714552 78.960 > 7 66 Se 0.83333333333333 0.11790685102279 0.72095616714552 78.960 > 7 67 Se 0.00000000000000 0.38209314897721 0.27904383285448 78.960 > 8 68 Se 0.33333333333333 0.38209314897721 0.27904383285448 78.960 > 8 69 Se 0.66666666666667 0.38209314897721 0.27904383285448 78.960 > 8 70 Se 0.00000000000000 0.38209314897721 0.77904383285448 78.960 > 8 71 Se 0.33333333333333 0.38209314897721 0.77904383285448 78.960 > 8 72 Se 0.66666666666667 0.38209314897721 0.77904383285448 78.960 > 8 *73 Se 0.00000000000000 0.05720181017930 0.37500000000000 78.960 > 9 74 Se 0.33333333333333 0.05720181017930 0.37500000000000 78.960 > 9 75 Se 0.66666666666667 0.05720181017930 0.37500000000000 78.960 > 9 76 Se 0.00000000000000 0.05720181017930 0.87500000000000 78.960 > 9 77 Se 0.33333333333333 0.05720181017930 0.87500000000000 78.960 > 9 78 Se 0.66666666666667 0.05720181017930 0.87500000000000 78.960 > 9 79 Se 0.16666666666667 0.44279818982070 0.12500000000000 78.960 > 10 80 Se 0.50000000000000 0.44279818982070 0.12500000000000 78.960 > 10 81 Se 0.83333333333333 0.44279818982070 0.12500000000000 78.960 > 10 82 Se 0.16666666666667 0.44279818982070 0.62500000000000 78.960 > 10 83 Se 0.50000000000000 0.44279818982070 0.62500000000000 78.960 > 10 84 Se 0.83333333333333 0.44279818982070 0.62500000000000 78.960 > 10 85 Se 0.16666666666667 0.88209314897721 0.47095616714552 78.960 > 5 86 Se 0.50000000000000 0.88209314897721 0.47095616714552 78.960 > 5 87 Se 0.83333333333333 0.88209314897721 0.47095616714552 78.960 > 5 88 Se 0.16666666666667 0.88209314897721 0.97095616714552 78.960 > 5 89 Se 0.50000000000000 0.88209314897721 0.97095616714552 78.960 > 5 90 Se 0.83333333333333 0.88209314897721 0.97095616714552 78.960 > 5 91 Se 0.00000000000000 0.61790685102279 0.02904383285448 78.960 > 6 92 Se 0.33333333333333 0.61790685102279 0.02904383285448 78.960 > 6 93 Se 0.66666666666667 0.61790685102279 0.02904383285448 78.960 > 6 94 Se 0.00000000000000 0.61790685102279 0.52904383285448 78.960 > 6 95 Se 0.33333333333333 0.61790685102279 0.52904383285448 78.960 > 6 96 Se 0.66666666666667 0.61790685102279 0.52904383285448 78.960 > 6 97 Se 0.00000000000000 0.61790685102279 0.22095616714552 78.960 > 7 98 Se 0.33333333333333 0.61790685102279 0.22095616714552 78.960 > 7 99 Se 0.66666666666667 0.61790685102279 0.22095616714552 78.960 > 7 100 Se 0.00000000000000 0.61790685102279 0.72095616714552 78.960 > 7 101 Se 0.33333333333333 0.61790685102279 0.72095616714552 78.960 > 7 102 Se 0.66666666666667 0.61790685102279 0.72095616714552 78.960 > 7 103 Se 0.16666666666667 0.88209314897721 0.27904383285448 78.960 > 8 104 Se 0.50000000000000 0.88209314897721 0.27904383285448 78.960 > 8 105 Se 0.83333333333333 0.88209314897721 0.27904383285448 78.960 > 8 106 Se 0.16666666666667 0.88209314897721 0.77904383285448 78.960 > 8 107 Se 0.50000000000000 0.88209314897721 0.77904383285448 78.960 > 8 108 Se 0.83333333333333 0.88209314897721 0.77904383285448 78.960 > 8 109 Se 0.16666666666667 0.55720181017930 0.37500000000000 78.960 > 9 110 Se 0.50000000000000 0.55720181017930 0.37500000000000 78.960 > 9 111 Se 0.83333333333333 0.55720181017930 0.37500000000000 78.960 > 9 112 Se 0.16666666666667 0.55720181017930 0.87500000000000 78.960 > 9 113 Se 0.50000000000000 0.55720181017930 0.87500000000000 78.960 > 9 114 Se 0.83333333333333 0.55720181017930 0.87500000000000 78.960 > 9 115 Se 0.00000000000000 0.94279818982070 0.12500000000000 78.960 > 10 116 Se 0.33333333333333 0.94279818982070 0.12500000000000 78.960 > 10 117 Se 0.66666666666667 0.94279818982070 0.12500000000000 78.960 > 10 118 Se 0.00000000000000 0.94279818982070 0.62500000000000 78.960 > 10 119 Se 0.33333333333333 0.94279818982070 0.62500000000000 78.960 > 10 120 Se 0.66666666666667 0.94279818982070 0.62500000000000 78.960 > 10 *121 Zn 0.00000000000000 0.46252194493163 0.37500000000000 65.380 > 11 122 Zn 0.33333333333333 0.46252194493163 0.37500000000000 65.380 > 11 123 Zn 0.66666666666667 0.46252194493163 0.37500000000000 65.380 > 11 124 Zn 0.00000000000000 0.46252194493163 0.87500000000000 65.380 > 11 125 Zn 0.33333333333333 0.46252194493163 0.87500000000000 65.380 > 11 126 Zn 0.66666666666667 0.46252194493163 0.87500000000000 65.380 > 11 127 Zn 0.16666666666667 0.03747805506837 0.12500000000000 65.380 > 12 128 Zn 0.50000000000000 0.03747805506837 0.12500000000000 65.380 > 12 129 Zn 0.83333333333333 0.03747805506837 0.12500000000000 65.380 > 12 130 Zn 0.16666666666667 0.03747805506837 0.62500000000000 65.380 > 12 131 Zn 0.50000000000000 0.03747805506837 0.62500000000000 65.380 > 12 132 Zn 0.83333333333333 0.03747805506837 0.62500000000000 65.380 > 12 133 Zn 0.16666666666667 0.96252194493163 0.37500000000000 65.380 > 11 134 Zn 0.50000000000000 0.96252194493163 0.37500000000000 65.380 > 11 135 Zn 0.83333333333333 0.96252194493163 0.37500000000000 65.380 > 11 136 Zn 0.16666666666667 0.96252194493163 0.87500000000000 65.380 > 11 137 Zn 0.50000000000000 0.96252194493163 0.87500000000000 65.380 > 11 138 Zn 0.83333333333333 0.96252194493163 0.87500000000000 65.380 > 11 139 Zn 0.00000000000000 0.53747805506837 0.12500000000000 65.380 > 12 140 Zn 0.33333333333333 0.53747805506837 0.12500000000000 65.380 > 12 141 Zn 0.66666666666667 0.53747805506837 0.12500000000000 65.380 > 12 142 Zn 0.00000000000000 0.53747805506837 0.62500000000000 65.380 > 12 143 Zn 0.33333333333333 0.53747805506837 0.62500000000000 65.380 > 12 144 Zn 0.66666666666667 0.53747805506837 0.62500000000000 65.380 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8480774 0.0000000 0.0000000 0.0000000 4.6071439 0.0000000 0.0000000 0.0000000 6.5164626 -------------------------- Born effective charges -------------------------- 1 Ho 4.8193654 0.0000000 0.0000000 0.0000000 1.6480773 0.3595566 0.0000000 0.5074186 4.6342655 2 Ho 4.8193654 0.0000000 0.0000000 0.0000000 1.6480773 -0.3595566 0.0000000 -0.5074186 4.6342655 3 Cs 1.2107107 0.0000000 0.0000000 0.0000000 1.9966629 0.0000000 0.0000000 0.0000000 1.2941295 4 Cs 1.2107107 0.0000000 0.0000000 0.0000000 1.9966629 0.0000000 0.0000000 0.0000000 1.2941295 5 Se -2.8518942 0.0000000 0.0000000 0.0000000 -1.6310270 -0.0713725 0.0000000 -0.1579618 -2.2040365 6 Se -2.8518942 0.0000000 0.0000000 0.0000000 -1.6310270 -0.0713725 0.0000000 -0.1579618 -2.2040365 7 Se -2.8518942 0.0000000 0.0000000 0.0000000 -1.6310270 0.0713725 0.0000000 0.1579618 -2.2040365 8 Se -2.8518942 0.0000000 0.0000000 0.0000000 -1.6310270 0.0713725 0.0000000 0.1579618 -2.2040365 9 Se -2.2878392 0.0000000 0.0000000 0.0000000 -1.1413358 0.0000000 0.0000000 0.0000000 -3.3710140 10 Se -2.2878392 0.0000000 0.0000000 0.0000000 -1.1413358 0.0000000 0.0000000 0.0000000 -3.3710140 11 Zn 1.9615515 0.0000000 0.0000000 0.0000000 0.7586497 0.0000000 0.0000000 0.0000000 1.8506919 12 Zn 1.9615515 0.0000000 0.0000000 0.0000000 0.7586497 0.0000000 0.0000000 0.0000000 1.8506919 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 240 - Time: 1.573 Solver_block: 200 / 240 - Time: 1.582 Solver_block: 240 / 240 - Time: 0.720 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.937 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:46:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:46:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 2.043410385000000 -7.899021955000000 0.000000000000000 b 2.043410385000000 7.899021955000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.759501439999998 Atomic positions (fractional): 1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 2 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 3 Cs 0.25622115424512 0.74377884575488 0.75000000000000 132.905 4 Cs 0.74377884575488 0.25622115424512 0.25000000000000 132.905 5 Se 0.61790685102279 0.38209314897721 0.94191233429104 78.960 6 Se 0.38209314897721 0.61790685102279 0.05808766570896 78.960 7 Se 0.38209314897721 0.61790685102279 0.44191233429104 78.960 8 Se 0.61790685102279 0.38209314897721 0.55808766570896 78.960 9 Se 0.94279818982070 0.05720181017930 0.75000000000000 78.960 10 Se 0.05720181017930 0.94279818982070 0.25000000000000 78.960 11 Zn 0.53747805506837 0.46252194493163 0.75000000000000 65.380 12 Zn 0.46252194493163 0.53747805506837 0.25000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.260462310000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.798043910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 21.519002879999995 Atomic positions (fractional): 1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 1 2 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 1 3 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 1 4 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 1 5 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 1 6 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 1 7 Ho 0.00000000000000 0.00000000000000 0.25000000000000 164.930 > 7 8 Ho 0.33333333333333 0.00000000000000 0.25000000000000 164.930 > 7 9 Ho 0.66666666666667 0.00000000000000 0.25000000000000 164.930 > 7 10 Ho 0.00000000000000 0.00000000000000 0.75000000000000 164.930 > 7 11 Ho 0.33333333333333 0.00000000000000 0.75000000000000 164.930 > 7 12 Ho 0.66666666666667 0.00000000000000 0.75000000000000 164.930 > 7 13 Ho 0.16666666666667 0.50000000000000 0.00000000000000 164.930 > 1 14 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 1 15 Ho 0.83333333333333 0.50000000000000 0.00000000000000 164.930 > 1 16 Ho 0.16666666666667 0.50000000000000 0.50000000000000 164.930 > 1 17 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 1 18 Ho 0.83333333333333 0.50000000000000 0.50000000000000 164.930 > 1 19 Ho 0.16666666666667 0.50000000000000 0.25000000000000 164.930 > 7 20 Ho 0.50000000000000 0.50000000000000 0.25000000000000 164.930 > 7 21 Ho 0.83333333333333 0.50000000000000 0.25000000000000 164.930 > 7 22 Ho 0.16666666666667 0.50000000000000 0.75000000000000 164.930 > 7 23 Ho 0.50000000000000 0.50000000000000 0.75000000000000 164.930 > 7 24 Ho 0.83333333333333 0.50000000000000 0.75000000000000 164.930 > 7 25 Cs 0.16666666666667 0.24377884575488 0.37500000000000 132.905 > 25 26 Cs 0.50000000000000 0.24377884575488 0.37500000000000 132.905 > 25 27 Cs 0.83333333333333 0.24377884575488 0.37500000000000 132.905 > 25 28 Cs 0.16666666666667 0.24377884575488 0.87500000000000 132.905 > 25 29 Cs 0.50000000000000 0.24377884575488 0.87500000000000 132.905 > 25 30 Cs 0.83333333333333 0.24377884575488 0.87500000000000 132.905 > 25 31 Cs 0.00000000000000 0.25622115424512 0.12500000000000 132.905 > 31 32 Cs 0.33333333333333 0.25622115424512 0.12500000000000 132.905 > 31 33 Cs 0.66666666666667 0.25622115424512 0.12500000000000 132.905 > 31 34 Cs 0.00000000000000 0.25622115424512 0.62500000000000 132.905 > 31 35 Cs 0.33333333333333 0.25622115424512 0.62500000000000 132.905 > 31 36 Cs 0.66666666666667 0.25622115424512 0.62500000000000 132.905 > 31 37 Cs 0.00000000000000 0.74377884575488 0.37500000000000 132.905 > 25 38 Cs 0.33333333333333 0.74377884575488 0.37500000000000 132.905 > 25 39 Cs 0.66666666666667 0.74377884575488 0.37500000000000 132.905 > 25 40 Cs 0.00000000000000 0.74377884575488 0.87500000000000 132.905 > 25 41 Cs 0.33333333333333 0.74377884575488 0.87500000000000 132.905 > 25 42 Cs 0.66666666666667 0.74377884575488 0.87500000000000 132.905 > 25 43 Cs 0.16666666666667 0.75622115424512 0.12500000000000 132.905 > 31 44 Cs 0.50000000000000 0.75622115424512 0.12500000000000 132.905 > 31 45 Cs 0.83333333333333 0.75622115424512 0.12500000000000 132.905 > 31 46 Cs 0.16666666666667 0.75622115424512 0.62500000000000 132.905 > 31 47 Cs 0.50000000000000 0.75622115424512 0.62500000000000 132.905 > 31 48 Cs 0.83333333333333 0.75622115424512 0.62500000000000 132.905 > 31 49 Se 0.00000000000000 0.38209314897721 0.47095616714552 78.960 > 49 50 Se 0.33333333333333 0.38209314897721 0.47095616714552 78.960 > 49 51 Se 0.66666666666667 0.38209314897721 0.47095616714552 78.960 > 49 52 Se 0.00000000000000 0.38209314897721 0.97095616714552 78.960 > 49 53 Se 0.33333333333333 0.38209314897721 0.97095616714552 78.960 > 49 54 Se 0.66666666666667 0.38209314897721 0.97095616714552 78.960 > 49 55 Se 0.16666666666667 0.11790685102279 0.02904383285448 78.960 > 55 56 Se 0.50000000000000 0.11790685102279 0.02904383285448 78.960 > 55 57 Se 0.83333333333333 0.11790685102279 0.02904383285448 78.960 > 55 58 Se 0.16666666666667 0.11790685102279 0.52904383285448 78.960 > 55 59 Se 0.50000000000000 0.11790685102279 0.52904383285448 78.960 > 55 60 Se 0.83333333333333 0.11790685102279 0.52904383285448 78.960 > 55 61 Se 0.16666666666667 0.11790685102279 0.22095616714552 78.960 > 61 62 Se 0.50000000000000 0.11790685102279 0.22095616714552 78.960 > 61 63 Se 0.83333333333333 0.11790685102279 0.22095616714552 78.960 > 61 64 Se 0.16666666666667 0.11790685102279 0.72095616714552 78.960 > 61 65 Se 0.50000000000000 0.11790685102279 0.72095616714552 78.960 > 61 66 Se 0.83333333333333 0.11790685102279 0.72095616714552 78.960 > 61 67 Se 0.00000000000000 0.38209314897721 0.27904383285448 78.960 > 67 68 Se 0.33333333333333 0.38209314897721 0.27904383285448 78.960 > 67 69 Se 0.66666666666667 0.38209314897721 0.27904383285448 78.960 > 67 70 Se 0.00000000000000 0.38209314897721 0.77904383285448 78.960 > 67 71 Se 0.33333333333333 0.38209314897721 0.77904383285448 78.960 > 67 72 Se 0.66666666666667 0.38209314897721 0.77904383285448 78.960 > 67 73 Se 0.00000000000000 0.05720181017930 0.37500000000000 78.960 > 73 74 Se 0.33333333333333 0.05720181017930 0.37500000000000 78.960 > 73 75 Se 0.66666666666667 0.05720181017930 0.37500000000000 78.960 > 73 76 Se 0.00000000000000 0.05720181017930 0.87500000000000 78.960 > 73 77 Se 0.33333333333333 0.05720181017930 0.87500000000000 78.960 > 73 78 Se 0.66666666666667 0.05720181017930 0.87500000000000 78.960 > 73 79 Se 0.16666666666667 0.44279818982070 0.12500000000000 78.960 > 79 80 Se 0.50000000000000 0.44279818982070 0.12500000000000 78.960 > 79 81 Se 0.83333333333333 0.44279818982070 0.12500000000000 78.960 > 79 82 Se 0.16666666666667 0.44279818982070 0.62500000000000 78.960 > 79 83 Se 0.50000000000000 0.44279818982070 0.62500000000000 78.960 > 79 84 Se 0.83333333333333 0.44279818982070 0.62500000000000 78.960 > 79 85 Se 0.16666666666667 0.88209314897721 0.47095616714552 78.960 > 49 86 Se 0.50000000000000 0.88209314897721 0.47095616714552 78.960 > 49 87 Se 0.83333333333333 0.88209314897721 0.47095616714552 78.960 > 49 88 Se 0.16666666666667 0.88209314897721 0.97095616714552 78.960 > 49 89 Se 0.50000000000000 0.88209314897721 0.97095616714552 78.960 > 49 90 Se 0.83333333333333 0.88209314897721 0.97095616714552 78.960 > 49 91 Se 0.00000000000000 0.61790685102279 0.02904383285448 78.960 > 55 92 Se 0.33333333333333 0.61790685102279 0.02904383285448 78.960 > 55 93 Se 0.66666666666667 0.61790685102279 0.02904383285448 78.960 > 55 94 Se 0.00000000000000 0.61790685102279 0.52904383285448 78.960 > 55 95 Se 0.33333333333333 0.61790685102279 0.52904383285448 78.960 > 55 96 Se 0.66666666666667 0.61790685102279 0.52904383285448 78.960 > 55 97 Se 0.00000000000000 0.61790685102279 0.22095616714552 78.960 > 61 98 Se 0.33333333333333 0.61790685102279 0.22095616714552 78.960 > 61 99 Se 0.66666666666667 0.61790685102279 0.22095616714552 78.960 > 61 100 Se 0.00000000000000 0.61790685102279 0.72095616714552 78.960 > 61 101 Se 0.33333333333333 0.61790685102279 0.72095616714552 78.960 > 61 102 Se 0.66666666666667 0.61790685102279 0.72095616714552 78.960 > 61 103 Se 0.16666666666667 0.88209314897721 0.27904383285448 78.960 > 67 104 Se 0.50000000000000 0.88209314897721 0.27904383285448 78.960 > 67 105 Se 0.83333333333333 0.88209314897721 0.27904383285448 78.960 > 67 106 Se 0.16666666666667 0.88209314897721 0.77904383285448 78.960 > 67 107 Se 0.50000000000000 0.88209314897721 0.77904383285448 78.960 > 67 108 Se 0.83333333333333 0.88209314897721 0.77904383285448 78.960 > 67 109 Se 0.16666666666667 0.55720181017930 0.37500000000000 78.960 > 73 110 Se 0.50000000000000 0.55720181017930 0.37500000000000 78.960 > 73 111 Se 0.83333333333333 0.55720181017930 0.37500000000000 78.960 > 73 112 Se 0.16666666666667 0.55720181017930 0.87500000000000 78.960 > 73 113 Se 0.50000000000000 0.55720181017930 0.87500000000000 78.960 > 73 114 Se 0.83333333333333 0.55720181017930 0.87500000000000 78.960 > 73 115 Se 0.00000000000000 0.94279818982070 0.12500000000000 78.960 > 79 116 Se 0.33333333333333 0.94279818982070 0.12500000000000 78.960 > 79 117 Se 0.66666666666667 0.94279818982070 0.12500000000000 78.960 > 79 118 Se 0.00000000000000 0.94279818982070 0.62500000000000 78.960 > 79 119 Se 0.33333333333333 0.94279818982070 0.62500000000000 78.960 > 79 120 Se 0.66666666666667 0.94279818982070 0.62500000000000 78.960 > 79 121 Zn 0.00000000000000 0.46252194493163 0.37500000000000 65.380 > 121 122 Zn 0.33333333333333 0.46252194493163 0.37500000000000 65.380 > 121 123 Zn 0.66666666666667 0.46252194493163 0.37500000000000 65.380 > 121 124 Zn 0.00000000000000 0.46252194493163 0.87500000000000 65.380 > 121 125 Zn 0.33333333333333 0.46252194493163 0.87500000000000 65.380 > 121 126 Zn 0.66666666666667 0.46252194493163 0.87500000000000 65.380 > 121 127 Zn 0.16666666666667 0.03747805506837 0.12500000000000 65.380 > 127 128 Zn 0.50000000000000 0.03747805506837 0.12500000000000 65.380 > 127 129 Zn 0.83333333333333 0.03747805506837 0.12500000000000 65.380 > 127 130 Zn 0.16666666666667 0.03747805506837 0.62500000000000 65.380 > 127 131 Zn 0.50000000000000 0.03747805506837 0.62500000000000 65.380 > 127 132 Zn 0.83333333333333 0.03747805506837 0.62500000000000 65.380 > 127 133 Zn 0.16666666666667 0.96252194493163 0.37500000000000 65.380 > 121 134 Zn 0.50000000000000 0.96252194493163 0.37500000000000 65.380 > 121 135 Zn 0.83333333333333 0.96252194493163 0.37500000000000 65.380 > 121 136 Zn 0.16666666666667 0.96252194493163 0.87500000000000 65.380 > 121 137 Zn 0.50000000000000 0.96252194493163 0.87500000000000 65.380 > 121 138 Zn 0.83333333333333 0.96252194493163 0.87500000000000 65.380 > 121 139 Zn 0.00000000000000 0.53747805506837 0.12500000000000 65.380 > 127 140 Zn 0.33333333333333 0.53747805506837 0.12500000000000 65.380 > 127 141 Zn 0.66666666666667 0.53747805506837 0.12500000000000 65.380 > 127 142 Zn 0.00000000000000 0.53747805506837 0.62500000000000 65.380 > 127 143 Zn 0.33333333333333 0.53747805506837 0.62500000000000 65.380 > 127 144 Zn 0.66666666666667 0.53747805506837 0.62500000000000 65.380 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8480774 0.0000000 0.0000000 0.0000000 4.6071439 0.0000000 0.0000000 0.0000000 6.5164626 -------------------------- Born effective charges -------------------------- 1 Ho 4.8193654 0.0000000 0.0000000 0.0000000 1.6480773 0.3595566 0.0000000 0.5074186 4.6342655 2 Ho 4.8193654 0.0000000 0.0000000 0.0000000 1.6480773 -0.3595566 0.0000000 -0.5074186 4.6342655 3 Cs 1.2107107 0.0000000 0.0000000 0.0000000 1.9966629 0.0000000 0.0000000 0.0000000 1.2941295 4 Cs 1.2107107 0.0000000 0.0000000 0.0000000 1.9966629 0.0000000 0.0000000 0.0000000 1.2941295 5 Se -2.8518942 0.0000000 0.0000000 0.0000000 -1.6310270 -0.0713725 0.0000000 -0.1579618 -2.2040365 6 Se -2.8518942 0.0000000 0.0000000 0.0000000 -1.6310270 -0.0713725 0.0000000 -0.1579618 -2.2040365 7 Se -2.8518942 0.0000000 0.0000000 0.0000000 -1.6310270 0.0713725 0.0000000 0.1579618 -2.2040365 8 Se -2.8518942 0.0000000 0.0000000 0.0000000 -1.6310270 0.0713725 0.0000000 0.1579618 -2.2040365 9 Se -2.2878392 0.0000000 0.0000000 0.0000000 -1.1413358 0.0000000 0.0000000 0.0000000 -3.3710140 10 Se -2.2878392 0.0000000 0.0000000 0.0000000 -1.1413358 0.0000000 0.0000000 0.0000000 -3.3710140 11 Zn 1.9615515 0.0000000 0.0000000 0.0000000 0.7586497 0.0000000 0.0000000 0.0000000 1.8506919 12 Zn 1.9615515 0.0000000 0.0000000 0.0000000 0.7586497 0.0000000 0.0000000 0.0000000 1.8506919 ---------------------------------------------------------------------------- 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[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) 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 09:46:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:46:58]------------------------- 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 2.043410385000000 -7.899021955000000 0.000000000000000 b 2.043410385000000 7.899021955000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.759501439999998 Atomic positions (fractional): 1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 2 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 3 Cs 0.25622115424512 0.74377884575488 0.75000000000000 132.905 4 Cs 0.74377884575488 0.25622115424512 0.25000000000000 132.905 5 Se 0.61790685102279 0.38209314897721 0.94191233429104 78.960 6 Se 0.38209314897721 0.61790685102279 0.05808766570896 78.960 7 Se 0.38209314897721 0.61790685102279 0.44191233429104 78.960 8 Se 0.61790685102279 0.38209314897721 0.55808766570896 78.960 9 Se 0.94279818982070 0.05720181017930 0.75000000000000 78.960 10 Se 0.05720181017930 0.94279818982070 0.25000000000000 78.960 11 Zn 0.53747805506837 0.46252194493163 0.75000000000000 65.380 12 Zn 0.46252194493163 0.53747805506837 0.25000000000000 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.260462310000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.798043910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 21.519002879999995 Atomic positions (fractional): 1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 1 2 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 1 3 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 1 4 Ho 0.00000000000000 0.00000000000000 0.50000000000000 164.930 > 1 5 Ho 0.33333333333333 0.00000000000000 0.50000000000000 164.930 > 1 6 Ho 0.66666666666667 0.00000000000000 0.50000000000000 164.930 > 1 7 Ho 0.00000000000000 0.00000000000000 0.25000000000000 164.930 > 7 8 Ho 0.33333333333333 0.00000000000000 0.25000000000000 164.930 > 7 9 Ho 0.66666666666667 0.00000000000000 0.25000000000000 164.930 > 7 10 Ho 0.00000000000000 0.00000000000000 0.75000000000000 164.930 > 7 11 Ho 0.33333333333333 0.00000000000000 0.75000000000000 164.930 > 7 12 Ho 0.66666666666667 0.00000000000000 0.75000000000000 164.930 > 7 13 Ho 0.16666666666667 0.50000000000000 0.00000000000000 164.930 > 1 14 Ho 0.50000000000000 0.50000000000000 0.00000000000000 164.930 > 1 15 Ho 0.83333333333333 0.50000000000000 0.00000000000000 164.930 > 1 16 Ho 0.16666666666667 0.50000000000000 0.50000000000000 164.930 > 1 17 Ho 0.50000000000000 0.50000000000000 0.50000000000000 164.930 > 1 18 Ho 0.83333333333333 0.50000000000000 0.50000000000000 164.930 > 1 19 Ho 0.16666666666667 0.50000000000000 0.25000000000000 164.930 > 7 20 Ho 0.50000000000000 0.50000000000000 0.25000000000000 164.930 > 7 21 Ho 0.83333333333333 0.50000000000000 0.25000000000000 164.930 > 7 22 Ho 0.16666666666667 0.50000000000000 0.75000000000000 164.930 > 7 23 Ho 0.50000000000000 0.50000000000000 0.75000000000000 164.930 > 7 24 Ho 0.83333333333333 0.50000000000000 0.75000000000000 164.930 > 7 25 Cs 0.16666666666667 0.24377884575488 0.37500000000000 132.905 > 25 26 Cs 0.50000000000000 0.24377884575488 0.37500000000000 132.905 > 25 27 Cs 0.83333333333333 0.24377884575488 0.37500000000000 132.905 > 25 28 Cs 0.16666666666667 0.24377884575488 0.87500000000000 132.905 > 25 29 Cs 0.50000000000000 0.24377884575488 0.87500000000000 132.905 > 25 30 Cs 0.83333333333333 0.24377884575488 0.87500000000000 132.905 > 25 31 Cs 0.00000000000000 0.25622115424512 0.12500000000000 132.905 > 31 32 Cs 0.33333333333333 0.25622115424512 0.12500000000000 132.905 > 31 33 Cs 0.66666666666667 0.25622115424512 0.12500000000000 132.905 > 31 34 Cs 0.00000000000000 0.25622115424512 0.62500000000000 132.905 > 31 35 Cs 0.33333333333333 0.25622115424512 0.62500000000000 132.905 > 31 36 Cs 0.66666666666667 0.25622115424512 0.62500000000000 132.905 > 31 37 Cs 0.00000000000000 0.74377884575488 0.37500000000000 132.905 > 25 38 Cs 0.33333333333333 0.74377884575488 0.37500000000000 132.905 > 25 39 Cs 0.66666666666667 0.74377884575488 0.37500000000000 132.905 > 25 40 Cs 0.00000000000000 0.74377884575488 0.87500000000000 132.905 > 25 41 Cs 0.33333333333333 0.74377884575488 0.87500000000000 132.905 > 25 42 Cs 0.66666666666667 0.74377884575488 0.87500000000000 132.905 > 25 43 Cs 0.16666666666667 0.75622115424512 0.12500000000000 132.905 > 31 44 Cs 0.50000000000000 0.75622115424512 0.12500000000000 132.905 > 31 45 Cs 0.83333333333333 0.75622115424512 0.12500000000000 132.905 > 31 46 Cs 0.16666666666667 0.75622115424512 0.62500000000000 132.905 > 31 47 Cs 0.50000000000000 0.75622115424512 0.62500000000000 132.905 > 31 48 Cs 0.83333333333333 0.75622115424512 0.62500000000000 132.905 > 31 49 Se 0.00000000000000 0.38209314897721 0.47095616714552 78.960 > 49 50 Se 0.33333333333333 0.38209314897721 0.47095616714552 78.960 > 49 51 Se 0.66666666666667 0.38209314897721 0.47095616714552 78.960 > 49 52 Se 0.00000000000000 0.38209314897721 0.97095616714552 78.960 > 49 53 Se 0.33333333333333 0.38209314897721 0.97095616714552 78.960 > 49 54 Se 0.66666666666667 0.38209314897721 0.97095616714552 78.960 > 49 55 Se 0.16666666666667 0.11790685102279 0.02904383285448 78.960 > 55 56 Se 0.50000000000000 0.11790685102279 0.02904383285448 78.960 > 55 57 Se 0.83333333333333 0.11790685102279 0.02904383285448 78.960 > 55 58 Se 0.16666666666667 0.11790685102279 0.52904383285448 78.960 > 55 59 Se 0.50000000000000 0.11790685102279 0.52904383285448 78.960 > 55 60 Se 0.83333333333333 0.11790685102279 0.52904383285448 78.960 > 55 61 Se 0.16666666666667 0.11790685102279 0.22095616714552 78.960 > 61 62 Se 0.50000000000000 0.11790685102279 0.22095616714552 78.960 > 61 63 Se 0.83333333333333 0.11790685102279 0.22095616714552 78.960 > 61 64 Se 0.16666666666667 0.11790685102279 0.72095616714552 78.960 > 61 65 Se 0.50000000000000 0.11790685102279 0.72095616714552 78.960 > 61 66 Se 0.83333333333333 0.11790685102279 0.72095616714552 78.960 > 61 67 Se 0.00000000000000 0.38209314897721 0.27904383285448 78.960 > 67 68 Se 0.33333333333333 0.38209314897721 0.27904383285448 78.960 > 67 69 Se 0.66666666666667 0.38209314897721 0.27904383285448 78.960 > 67 70 Se 0.00000000000000 0.38209314897721 0.77904383285448 78.960 > 67 71 Se 0.33333333333333 0.38209314897721 0.77904383285448 78.960 > 67 72 Se 0.66666666666667 0.38209314897721 0.77904383285448 78.960 > 67 73 Se 0.00000000000000 0.05720181017930 0.37500000000000 78.960 > 73 74 Se 0.33333333333333 0.05720181017930 0.37500000000000 78.960 > 73 75 Se 0.66666666666667 0.05720181017930 0.37500000000000 78.960 > 73 76 Se 0.00000000000000 0.05720181017930 0.87500000000000 78.960 > 73 77 Se 0.33333333333333 0.05720181017930 0.87500000000000 78.960 > 73 78 Se 0.66666666666667 0.05720181017930 0.87500000000000 78.960 > 73 79 Se 0.16666666666667 0.44279818982070 0.12500000000000 78.960 > 79 80 Se 0.50000000000000 0.44279818982070 0.12500000000000 78.960 > 79 81 Se 0.83333333333333 0.44279818982070 0.12500000000000 78.960 > 79 82 Se 0.16666666666667 0.44279818982070 0.62500000000000 78.960 > 79 83 Se 0.50000000000000 0.44279818982070 0.62500000000000 78.960 > 79 84 Se 0.83333333333333 0.44279818982070 0.62500000000000 78.960 > 79 85 Se 0.16666666666667 0.88209314897721 0.47095616714552 78.960 > 49 86 Se 0.50000000000000 0.88209314897721 0.47095616714552 78.960 > 49 87 Se 0.83333333333333 0.88209314897721 0.47095616714552 78.960 > 49 88 Se 0.16666666666667 0.88209314897721 0.97095616714552 78.960 > 49 89 Se 0.50000000000000 0.88209314897721 0.97095616714552 78.960 > 49 90 Se 0.83333333333333 0.88209314897721 0.97095616714552 78.960 > 49 91 Se 0.00000000000000 0.61790685102279 0.02904383285448 78.960 > 55 92 Se 0.33333333333333 0.61790685102279 0.02904383285448 78.960 > 55 93 Se 0.66666666666667 0.61790685102279 0.02904383285448 78.960 > 55 94 Se 0.00000000000000 0.61790685102279 0.52904383285448 78.960 > 55 95 Se 0.33333333333333 0.61790685102279 0.52904383285448 78.960 > 55 96 Se 0.66666666666667 0.61790685102279 0.52904383285448 78.960 > 55 97 Se 0.00000000000000 0.61790685102279 0.22095616714552 78.960 > 61 98 Se 0.33333333333333 0.61790685102279 0.22095616714552 78.960 > 61 99 Se 0.66666666666667 0.61790685102279 0.22095616714552 78.960 > 61 100 Se 0.00000000000000 0.61790685102279 0.72095616714552 78.960 > 61 101 Se 0.33333333333333 0.61790685102279 0.72095616714552 78.960 > 61 102 Se 0.66666666666667 0.61790685102279 0.72095616714552 78.960 > 61 103 Se 0.16666666666667 0.88209314897721 0.27904383285448 78.960 > 67 104 Se 0.50000000000000 0.88209314897721 0.27904383285448 78.960 > 67 105 Se 0.83333333333333 0.88209314897721 0.27904383285448 78.960 > 67 106 Se 0.16666666666667 0.88209314897721 0.77904383285448 78.960 > 67 107 Se 0.50000000000000 0.88209314897721 0.77904383285448 78.960 > 67 108 Se 0.83333333333333 0.88209314897721 0.77904383285448 78.960 > 67 109 Se 0.16666666666667 0.55720181017930 0.37500000000000 78.960 > 73 110 Se 0.50000000000000 0.55720181017930 0.37500000000000 78.960 > 73 111 Se 0.83333333333333 0.55720181017930 0.37500000000000 78.960 > 73 112 Se 0.16666666666667 0.55720181017930 0.87500000000000 78.960 > 73 113 Se 0.50000000000000 0.55720181017930 0.87500000000000 78.960 > 73 114 Se 0.83333333333333 0.55720181017930 0.87500000000000 78.960 > 73 115 Se 0.00000000000000 0.94279818982070 0.12500000000000 78.960 > 79 116 Se 0.33333333333333 0.94279818982070 0.12500000000000 78.960 > 79 117 Se 0.66666666666667 0.94279818982070 0.12500000000000 78.960 > 79 118 Se 0.00000000000000 0.94279818982070 0.62500000000000 78.960 > 79 119 Se 0.33333333333333 0.94279818982070 0.62500000000000 78.960 > 79 120 Se 0.66666666666667 0.94279818982070 0.62500000000000 78.960 > 79 121 Zn 0.00000000000000 0.46252194493163 0.37500000000000 65.380 > 121 122 Zn 0.33333333333333 0.46252194493163 0.37500000000000 65.380 > 121 123 Zn 0.66666666666667 0.46252194493163 0.37500000000000 65.380 > 121 124 Zn 0.00000000000000 0.46252194493163 0.87500000000000 65.380 > 121 125 Zn 0.33333333333333 0.46252194493163 0.87500000000000 65.380 > 121 126 Zn 0.66666666666667 0.46252194493163 0.87500000000000 65.380 > 121 127 Zn 0.16666666666667 0.03747805506837 0.12500000000000 65.380 > 127 128 Zn 0.50000000000000 0.03747805506837 0.12500000000000 65.380 > 127 129 Zn 0.83333333333333 0.03747805506837 0.12500000000000 65.380 > 127 130 Zn 0.16666666666667 0.03747805506837 0.62500000000000 65.380 > 127 131 Zn 0.50000000000000 0.03747805506837 0.62500000000000 65.380 > 127 132 Zn 0.83333333333333 0.03747805506837 0.62500000000000 65.380 > 127 133 Zn 0.16666666666667 0.96252194493163 0.37500000000000 65.380 > 121 134 Zn 0.50000000000000 0.96252194493163 0.37500000000000 65.380 > 121 135 Zn 0.83333333333333 0.96252194493163 0.37500000000000 65.380 > 121 136 Zn 0.16666666666667 0.96252194493163 0.87500000000000 65.380 > 121 137 Zn 0.50000000000000 0.96252194493163 0.87500000000000 65.380 > 121 138 Zn 0.83333333333333 0.96252194493163 0.87500000000000 65.380 > 121 139 Zn 0.00000000000000 0.53747805506837 0.12500000000000 65.380 > 127 140 Zn 0.33333333333333 0.53747805506837 0.12500000000000 65.380 > 127 141 Zn 0.66666666666667 0.53747805506837 0.12500000000000 65.380 > 127 142 Zn 0.00000000000000 0.53747805506837 0.62500000000000 65.380 > 127 143 Zn 0.33333333333333 0.53747805506837 0.62500000000000 65.380 > 127 144 Zn 0.66666666666667 0.53747805506837 0.62500000000000 65.380 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8480774 0.0000000 0.0000000 0.0000000 4.6071439 0.0000000 0.0000000 0.0000000 6.5164626 -------------------------- Born effective charges -------------------------- 1 Ho 4.8193654 0.0000000 0.0000000 0.0000000 1.6480773 0.3595566 0.0000000 0.5074186 4.6342655 2 Ho 4.8193654 0.0000000 0.0000000 0.0000000 1.6480773 -0.3595566 0.0000000 -0.5074186 4.6342655 3 Cs 1.2107107 0.0000000 0.0000000 0.0000000 1.9966629 0.0000000 0.0000000 0.0000000 1.2941295 4 Cs 1.2107107 0.0000000 0.0000000 0.0000000 1.9966629 0.0000000 0.0000000 0.0000000 1.2941295 5 Se -2.8518942 0.0000000 0.0000000 0.0000000 -1.6310270 -0.0713725 0.0000000 -0.1579618 -2.2040365 6 Se -2.8518942 0.0000000 0.0000000 0.0000000 -1.6310270 -0.0713725 0.0000000 -0.1579618 -2.2040365 7 Se -2.8518942 0.0000000 0.0000000 0.0000000 -1.6310270 0.0713725 0.0000000 0.1579618 -2.2040365 8 Se -2.8518942 0.0000000 0.0000000 0.0000000 -1.6310270 0.0713725 0.0000000 0.1579618 -2.2040365 9 Se -2.2878392 0.0000000 0.0000000 0.0000000 -1.1413358 0.0000000 0.0000000 0.0000000 -3.3710140 10 Se -2.2878392 0.0000000 0.0000000 0.0000000 -1.1413358 0.0000000 0.0000000 0.0000000 -3.3710140 11 Zn 1.9615515 0.0000000 0.0000000 0.0000000 0.7586497 0.0000000 0.0000000 0.0000000 1.8506919 12 Zn 1.9615515 0.0000000 0.0000000 0.0000000 0.7586497 0.0000000 0.0000000 0.0000000 1.8506919 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.929 ( 0.000 0.000 0.000) 0.000 1.337 ( 0.000 0.000 0.000) 0.000 1.419 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.932 ( 0.000 0.000 0.000) 0.000 6.585 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 6.916 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( 17.360 -0.491 0.000) 17.367 0.370 ( 18.840 -1.223 0.000) 18.880 0.622 ( 30.620 -6.191 0.000) 31.240 0.972 ( 4.326 0.121 0.000) 4.328 1.313 ( -5.071 1.684 0.000) 5.343 1.385 ( 4.736 -0.021 0.000) 4.736 1.474 ( 3.332 -0.536 0.000) 3.375 1.651 ( 12.531 0.958 0.000) 12.568 1.662 ( 4.334 0.953 0.000) 4.438 1.769 ( -0.725 -1.432 0.000) 1.605 2.114 ( -2.807 2.071 0.000) 3.488 2.172 ( -2.204 0.607 0.000) 2.286 2.188 ( -3.028 -2.609 0.000) 3.997 2.364 ( 5.782 -0.916 0.000) 5.854 2.434 ( -0.300 -0.009 0.000) 0.300 2.481 ( 9.799 0.132 0.000) 9.800 2.720 ( -0.462 0.251 0.000) 0.526 3.234 ( -3.383 -0.296 0.000) 3.396 3.787 ( 7.107 -0.032 0.000) 7.107 3.796 ( 3.087 -0.049 0.000) 3.088 3.919 ( 6.043 -0.034 0.000) 6.043 4.325 ( -0.231 0.014 0.000) 0.232 4.348 ( -2.527 -0.093 0.000) 2.529 4.480 ( 0.342 2.453 0.000) 2.477 4.629 ( 1.826 1.432 0.000) 2.320 4.712 ( -0.993 -0.290 0.000) 1.034 4.893 ( -1.016 -0.003 0.000) 1.016 4.905 ( -1.155 -0.045 0.000) 1.156 5.028 ( -0.853 0.503 0.000) 0.990 5.067 ( 0.675 1.451 0.000) 1.601 5.480 ( -1.149 0.074 0.000) 1.151 5.766 ( 1.473 18.755 0.000) 18.813 5.932 ( 0.876 3.577 0.000) 3.683 6.565 ( -7.184 -9.065 0.000) 11.566 6.892 ( -1.384 1.177 0.000) 1.817 6.922 ( -0.076 -1.088 0.000) 1.091 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 18.095 1.492 0.000) 18.156 0.707 ( 15.647 -1.539 0.000) 15.723 1.080 ( 7.182 0.438 0.000) 7.195 1.191 ( 25.769 -5.904 0.000) 26.437 1.226 ( -3.059 2.522 0.000) 3.965 1.498 ( 7.125 0.657 0.000) 7.156 1.575 ( 6.737 -1.134 0.000) 6.832 1.754 ( -0.625 -1.044 0.000) 1.216 1.755 ( 6.106 3.857 0.000) 7.222 1.901 ( 12.323 0.318 0.000) 12.327 2.047 ( -2.776 0.913 0.000) 2.923 2.126 ( -2.769 -1.002 0.000) 2.945 2.160 ( -0.219 0.435 0.000) 0.487 2.446 ( 2.542 -0.018 0.000) 2.542 2.491 ( 6.804 -1.002 0.000) 6.877 2.699 ( 12.691 0.231 0.000) 12.693 2.706 ( -0.864 0.374 0.000) 0.941 3.179 ( -2.106 -0.713 0.000) 2.223 3.869 ( 4.171 -0.147 0.000) 4.174 3.950 ( 9.132 -0.080 0.000) 9.132 4.059 ( 8.020 -0.403 0.000) 8.030 4.281 ( -4.370 -0.105 0.000) 4.371 4.325 ( 0.521 0.065 0.000) 0.526 4.462 ( -1.252 0.563 0.000) 1.373 4.634 ( -5.246 1.317 0.000) 5.408 4.682 ( 1.564 0.068 0.000) 1.566 4.858 ( -2.245 -0.142 0.000) 2.250 4.877 ( -1.735 -0.057 0.000) 1.736 5.013 ( -0.346 -0.131 0.000) 0.370 5.111 ( 4.267 0.476 0.000) 4.294 5.452 ( -1.642 0.119 0.000) 1.646 5.677 ( -4.047 7.181 0.000) 8.243 5.926 ( 0.546 4.588 0.000) 4.620 6.437 ( -9.520 -4.038 0.000) 10.341 6.851 ( -2.557 0.104 0.000) 2.559 6.925 ( 0.202 0.082 0.000) 0.218 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 7.575 -1.014 0.000) 7.643 0.981 ( 17.293 3.763 0.000) 17.698 1.175 ( -1.232 1.528 0.000) 1.963 1.242 ( 10.348 0.417 0.000) 10.357 1.574 ( 11.252 -1.266 0.000) 11.323 1.649 ( 7.896 -1.112 0.000) 7.974 1.719 ( 6.834 -2.276 0.000) 7.203 1.754 ( 0.278 -0.873 0.000) 0.916 1.818 ( 3.094 9.883 0.000) 10.356 2.032 ( 0.704 -1.166 0.000) 1.362 2.059 ( 3.892 0.141 0.000) 3.895 2.140 ( 6.893 -4.359 0.000) 8.156 2.171 ( 1.374 -0.935 0.000) 1.662 2.573 ( 11.242 0.227 0.000) 11.244 2.618 ( 6.008 -1.102 0.000) 6.108 2.684 ( -1.338 0.298 0.000) 1.371 2.924 ( 10.551 0.136 0.000) 10.552 3.168 ( 0.281 -0.993 0.000) 1.031 3.930 ( 1.374 -0.219 0.000) 1.392 4.093 ( 5.412 -0.120 0.000) 5.413 4.202 ( -3.278 -0.067 0.000) 3.279 4.204 ( 6.554 -0.599 0.000) 6.581 4.358 ( 3.165 0.223 0.000) 3.172 4.443 ( -0.647 0.429 0.000) 0.776 4.472 ( -9.400 -0.431 0.000) 9.410 4.719 ( 1.799 0.924 0.000) 2.023 4.828 ( -0.710 0.196 0.000) 0.736 4.845 ( -1.583 -0.055 0.000) 1.584 5.021 ( 0.939 -0.049 0.000) 0.940 5.200 ( 4.920 0.371 0.000) 4.934 5.422 ( -1.359 0.102 0.000) 1.363 5.550 ( -6.448 3.571 0.000) 7.371 5.907 ( -0.224 4.414 0.000) 4.420 6.257 ( -10.921 -2.342 0.000) 11.169 6.799 ( -2.940 -0.497 0.000) 2.982 6.929 ( 0.391 0.765 0.000) 0.859 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 1.261 0.445 0.000) 1.338 1.157 ( -1.019 -0.578 0.000) 1.172 1.254 ( 13.626 5.901 0.000) 14.849 1.440 ( 9.567 -0.090 0.000) 9.568 1.681 ( 1.180 2.759 0.000) 3.000 1.723 ( -3.431 7.154 0.000) 7.935 1.769 ( 6.911 1.405 0.000) 7.053 1.781 ( 2.594 -0.123 0.000) 2.597 1.900 ( 6.148 -5.524 0.000) 8.265 2.068 ( 2.705 -1.949 0.000) 3.334 2.075 ( -1.117 -0.362 0.000) 1.175 2.182 ( -0.344 -2.437 0.000) 2.461 2.443 ( 17.861 -3.257 0.000) 18.155 2.652 ( -1.956 0.094 0.000) 1.959 2.724 ( 4.661 -0.959 0.000) 4.759 2.820 ( 13.586 0.417 0.000) 13.592 3.071 ( 4.700 -0.350 0.000) 4.713 3.182 ( 0.191 -0.734 0.000) 0.758 3.905 ( -3.574 -0.131 0.000) 3.576 4.164 ( 2.928 0.039 0.000) 2.928 4.180 ( 0.633 0.027 0.000) 0.633 4.239 ( -7.058 -0.828 0.000) 7.107 4.342 ( 1.230 0.422 0.000) 1.301 4.425 ( 3.306 0.182 0.000) 3.311 4.484 ( 4.003 0.061 0.000) 4.003 4.748 ( 2.101 0.475 0.000) 2.154 4.821 ( -0.979 -0.080 0.000) 0.983 4.834 ( 1.614 0.394 0.000) 1.662 5.032 ( -0.173 0.234 0.000) 0.291 5.285 ( 4.323 0.314 0.000) 4.334 5.402 ( -0.772 0.030 0.000) 0.773 5.408 ( -7.096 1.718 0.000) 7.301 5.876 ( -1.003 3.614 0.000) 3.751 6.058 ( -10.991 -1.490 0.000) 11.091 6.749 ( -2.551 -0.643 0.000) 2.630 6.932 ( 0.325 0.933 0.000) 0.988 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.203 0.067 0.000) 0.214 1.128 ( -2.350 -0.708 0.000) 2.454 1.397 ( 3.505 6.733 0.000) 7.591 1.572 ( 4.287 0.083 0.000) 4.288 1.643 ( 0.236 4.214 0.000) 4.221 1.666 ( -0.441 2.555 0.000) 2.593 1.855 ( 4.793 0.014 0.000) 4.793 1.883 ( 4.877 1.404 0.000) 5.075 2.012 ( 2.588 -3.554 0.000) 4.396 2.048 ( -1.618 -0.505 0.000) 1.695 2.145 ( 3.530 -2.551 0.000) 4.356 2.194 ( 1.116 -3.681 0.000) 3.846 2.612 ( -2.178 -0.063 0.000) 2.179 2.758 ( 13.576 -0.746 0.000) 13.596 2.802 ( 3.181 -0.626 0.000) 3.242 3.039 ( 9.213 0.337 0.000) 9.219 3.104 ( -1.335 -1.045 0.000) 1.695 3.175 ( -1.045 -0.318 0.000) 1.093 3.833 ( -3.474 0.010 0.000) 3.474 4.100 ( -6.190 -0.691 0.000) 6.228 4.199 ( 1.006 0.106 0.000) 1.011 4.230 ( 4.319 0.199 0.000) 4.324 4.378 ( 1.583 0.775 0.000) 1.762 4.458 ( -0.043 0.025 0.000) 0.050 4.589 ( 6.772 0.083 0.000) 6.773 4.803 ( 3.897 0.143 0.000) 3.900 4.809 ( -0.371 -0.101 0.000) 0.385 4.878 ( 2.756 0.286 0.000) 2.771 5.001 ( -3.015 0.297 0.000) 3.030 5.271 ( -6.563 0.649 0.000) 6.595 5.371 ( 5.227 0.270 0.000) 5.234 5.392 ( -0.357 -0.033 0.000) 0.358 5.823 ( -5.426 1.050 0.000) 5.526 5.877 ( -6.334 0.360 0.000) 6.344 6.712 ( -1.676 -0.497 0.000) 1.748 6.932 ( 0.138 0.720 0.000) 0.733 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.404 -0.434 0.000) 0.593 1.087 ( -1.670 0.073 0.000) 1.671 1.366 ( -1.512 2.755 0.000) 3.143 1.616 ( 0.961 0.136 0.000) 0.970 1.650 ( -0.219 0.488 0.000) 0.535 1.676 ( 2.458 2.153 0.000) 3.268 1.930 ( 2.437 -0.046 0.000) 2.438 1.935 ( 1.472 0.581 0.000) 1.583 2.025 ( -1.121 -1.044 0.000) 1.532 2.027 ( -0.660 -0.232 0.000) 0.700 2.219 ( 2.661 -1.572 0.000) 3.091 2.247 ( 1.541 -1.530 0.000) 2.171 2.579 ( -1.055 -0.052 0.000) 1.057 2.842 ( 1.072 -0.182 0.000) 1.087 2.950 ( 6.390 1.213 0.000) 6.504 3.061 ( -2.854 -1.480 0.000) 3.215 3.153 ( -1.148 -0.245 0.000) 1.174 3.153 ( 3.027 0.125 0.000) 3.030 3.787 ( -1.231 0.029 0.000) 1.232 4.026 ( -1.975 -0.298 0.000) 1.998 4.211 ( 0.310 0.059 0.000) 0.316 4.321 ( 4.846 0.216 0.000) 4.851 4.393 ( 0.396 0.391 0.000) 0.557 4.425 ( -3.129 -0.116 0.000) 3.131 4.713 ( 5.346 0.120 0.000) 5.347 4.806 ( -0.064 -0.050 0.000) 0.081 4.870 ( 1.371 -0.257 0.000) 1.395 4.918 ( 1.229 0.089 0.000) 1.232 4.937 ( -1.842 0.343 0.000) 1.873 5.163 ( -4.052 0.117 0.000) 4.054 5.388 ( -0.111 -0.025 0.000) 0.114 5.491 ( 7.806 0.396 0.000) 7.816 5.656 ( -9.655 -0.569 0.000) 9.672 5.830 ( -0.628 0.784 0.000) 1.004 6.692 ( -0.579 -0.185 0.000) 0.607 6.931 ( 0.023 0.268 0.000) 0.269 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 18.591 0.000 0.000) 18.591 0.699 ( 15.783 0.000 0.000) 15.783 1.082 ( 7.215 0.000 0.000) 7.215 1.160 ( 26.575 0.000 0.000) 26.575 1.239 ( -3.340 -0.000 0.000) 3.340 1.502 ( 7.096 0.000 0.000) 7.096 1.569 ( 6.838 0.000 0.000) 6.838 1.749 ( -0.704 -0.000 0.000) 0.704 1.775 ( 7.382 0.000 0.000) 7.382 1.902 ( 12.456 0.000 0.000) 12.456 2.050 ( -4.527 -0.000 0.000) 4.527 2.122 ( -2.409 -0.000 0.000) 2.409 2.162 ( -0.242 -0.000 0.000) 0.242 2.446 ( 2.561 0.000 0.000) 2.561 2.486 ( 6.872 0.000 0.000) 6.872 2.700 ( 12.668 0.000 0.000) 12.668 2.708 ( -0.903 -0.000 0.000) 0.903 3.176 ( -2.132 -0.000 0.000) 2.132 3.868 ( 4.160 0.000 0.000) 4.160 3.950 ( 9.125 0.000 0.000) 9.125 4.057 ( 7.966 0.000 0.000) 7.966 4.281 ( -4.368 -0.000 0.000) 4.368 4.326 ( 0.560 0.000 0.000) 0.560 4.464 ( -1.487 -0.000 0.000) 1.487 4.641 ( -6.906 -0.000 0.000) 6.906 4.683 ( 2.909 0.000 0.000) 2.909 4.857 ( -2.182 -0.000 0.000) 2.182 4.877 ( -1.727 -0.000 0.000) 1.727 5.013 ( -0.391 -0.000 0.000) 0.391 5.113 ( 4.151 0.000 0.000) 4.151 5.453 ( -1.652 -0.000 0.000) 1.652 5.711 ( -6.403 -0.000 0.000) 6.403 5.955 ( 0.030 0.000 0.000) 0.030 6.414 ( -8.352 -0.000 0.000) 8.352 6.852 ( -2.801 -0.000 0.000) 2.801 6.926 ( 0.449 0.000 0.000) 0.449 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 8.228 -0.355 0.000) 8.235 1.009 ( 17.852 1.688 0.000) 17.931 1.186 ( -2.155 0.560 0.000) 2.227 1.245 ( 10.141 0.139 0.000) 10.142 1.559 ( 14.263 -1.153 0.000) 14.310 1.641 ( 7.591 -0.364 0.000) 7.600 1.706 ( 6.221 -0.555 0.000) 6.246 1.748 ( 0.622 -0.324 0.000) 0.701 1.912 ( 1.765 9.186 0.000) 9.354 1.993 ( 2.723 -6.737 0.000) 7.267 2.060 ( 3.673 0.051 0.000) 3.673 2.119 ( 5.437 -0.373 0.000) 5.450 2.162 ( 0.040 -0.721 0.000) 0.722 2.575 ( 11.341 0.083 0.000) 11.342 2.611 ( 6.114 -0.424 0.000) 6.129 2.686 ( -1.426 0.107 0.000) 1.430 2.925 ( 10.454 0.055 0.000) 10.454 3.162 ( 0.352 -0.366 0.000) 0.508 3.929 ( 1.392 -0.079 0.000) 1.394 4.093 ( 5.439 -0.044 0.000) 5.439 4.200 ( 6.641 -0.201 0.000) 6.644 4.202 ( -3.237 -0.024 0.000) 3.237 4.359 ( 3.173 0.081 0.000) 3.174 4.446 ( -0.023 0.224 0.000) 0.226 4.469 ( -10.174 -0.207 0.000) 10.176 4.725 ( 1.586 0.313 0.000) 1.617 4.829 ( -0.603 0.070 0.000) 0.607 4.845 ( -1.581 -0.020 0.000) 1.581 5.021 ( 1.043 -0.019 0.000) 1.044 5.202 ( 4.857 0.129 0.000) 4.859 5.423 ( -1.387 0.037 0.000) 1.388 5.573 ( -7.643 1.147 0.000) 7.728 5.941 ( -0.804 2.042 0.000) 2.194 6.239 ( -10.359 -1.128 0.000) 10.420 6.796 ( -3.004 -0.168 0.000) 3.009 6.934 ( 0.450 0.265 0.000) 0.522 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 1.490 0.306 0.000) 1.521 1.152 ( -1.543 -0.388 0.000) 1.591 1.303 ( 14.099 3.807 0.000) 14.604 1.440 ( 9.497 -0.042 0.000) 9.497 1.701 ( 1.418 1.472 0.000) 2.044 1.769 ( 3.281 1.700 0.000) 3.695 1.780 ( 2.832 -0.067 0.000) 2.833 1.798 ( 0.665 4.401 0.000) 4.451 1.854 ( 5.008 -3.707 0.000) 6.231 2.052 ( 2.106 -1.371 0.000) 2.513 2.072 ( -1.239 -0.205 0.000) 1.256 2.158 ( -1.039 -2.174 0.000) 2.409 2.417 ( 19.161 -1.858 0.000) 19.251 2.653 ( -2.051 0.053 0.000) 2.051 2.717 ( 4.843 -0.557 0.000) 4.875 2.824 ( 13.569 0.235 0.000) 13.571 3.069 ( 4.422 -0.197 0.000) 4.426 3.176 ( 0.478 -0.407 0.000) 0.628 3.904 ( -3.499 -0.075 0.000) 3.500 4.165 ( 3.028 0.024 0.000) 3.028 4.180 ( 0.652 0.013 0.000) 0.652 4.233 ( -7.003 -0.450 0.000) 7.018 4.345 ( 1.457 0.244 0.000) 1.478 4.427 ( 3.240 0.103 0.000) 3.241 4.484 ( 3.987 0.032 0.000) 3.987 4.752 ( 1.907 0.269 0.000) 1.926 4.821 ( -0.989 -0.045 0.000) 0.990 4.837 ( 1.595 0.224 0.000) 1.611 5.034 ( -0.121 0.111 0.000) 0.164 5.287 ( 4.293 0.173 0.000) 4.296 5.402 ( -0.808 0.017 0.000) 0.808 5.421 ( -7.807 0.895 0.000) 7.858 5.907 ( -1.560 2.583 0.000) 3.017 6.044 ( -10.757 -1.307 0.000) 10.836 6.745 ( -2.490 -0.337 0.000) 2.513 6.939 ( 0.236 0.501 0.000) 0.554 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -0.204 0.059 0.000) 0.212 1.122 ( -1.979 -0.511 0.000) 2.044 1.457 ( 2.813 5.330 0.000) 6.026 1.573 ( 4.419 0.055 0.000) 4.419 1.675 ( -1.775 2.198 0.000) 2.825 1.694 ( -0.731 3.122 0.000) 3.206 1.855 ( 4.733 0.016 0.000) 4.733 1.897 ( 4.758 1.655 0.000) 5.037 1.976 ( 3.729 -3.731 0.000) 5.275 2.044 ( -1.565 -0.363 0.000) 1.606 2.124 ( 3.992 -1.587 0.000) 4.296 2.158 ( 1.159 -3.415 0.000) 3.606 2.611 ( -2.210 -0.045 0.000) 2.211 2.752 ( 14.799 -0.522 0.000) 14.808 2.796 ( 3.329 -0.448 0.000) 3.359 3.042 ( 9.125 0.238 0.000) 9.128 3.095 ( -1.438 -0.650 0.000) 1.578 3.172 ( -1.098 -0.295 0.000) 1.137 3.833 ( -3.435 0.006 0.000) 3.435 4.094 ( -6.066 -0.492 0.000) 6.086 4.200 ( 1.005 0.078 0.000) 1.009 4.231 ( 4.368 0.139 0.000) 4.370 4.385 ( 1.562 0.556 0.000) 1.658 4.458 ( -0.119 0.018 0.000) 0.121 4.590 ( 6.799 0.057 0.000) 6.800 4.804 ( 3.756 0.114 0.000) 3.758 4.808 ( -0.364 -0.073 0.000) 0.371 4.880 ( 2.652 0.194 0.000) 2.659 5.003 ( -3.039 0.189 0.000) 3.045 5.277 ( -6.955 0.449 0.000) 6.970 5.373 ( 5.258 0.180 0.000) 5.261 5.391 ( -0.370 -0.023 0.000) 0.370 5.832 ( -8.418 0.647 0.000) 8.443 5.881 ( -3.848 0.379 0.000) 3.867 6.708 ( -1.545 -0.334 0.000) 1.580 6.938 ( -0.052 0.492 0.000) 0.495 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.710 -0.175 0.000) 0.731 1.087 ( -1.668 -0.129 0.000) 1.673 1.395 ( -3.849 3.124 0.000) 4.958 1.617 ( 0.869 0.126 0.000) 0.878 1.647 ( -1.365 -0.664 0.000) 1.517 1.701 ( 0.877 2.437 0.000) 2.590 1.930 ( 2.465 -0.036 0.000) 2.465 1.940 ( 0.831 0.523 0.000) 0.981 2.011 ( -0.201 -1.689 0.000) 1.701 2.025 ( -0.451 -0.197 0.000) 0.492 2.206 ( 4.064 -1.083 0.000) 4.206 2.234 ( 3.178 -1.102 0.000) 3.364 2.579 ( -1.013 -0.042 0.000) 1.013 2.840 ( 1.275 -0.110 0.000) 1.280 2.962 ( 6.824 1.283 0.000) 6.943 3.048 ( -2.676 -1.099 0.000) 2.892 3.148 ( -1.196 -0.638 0.000) 1.355 3.154 ( 2.908 0.104 0.000) 2.910 3.787 ( -1.253 0.022 0.000) 1.253 4.024 ( -1.703 -0.252 0.000) 1.722 4.211 ( 0.261 0.051 0.000) 0.265 4.323 ( 4.780 0.178 0.000) 4.783 4.396 ( 0.058 0.346 0.000) 0.351 4.424 ( -3.153 -0.093 0.000) 3.154 4.714 ( 5.300 0.094 0.000) 5.300 4.806 ( -0.021 -0.044 0.000) 0.049 4.868 ( 1.301 -0.184 0.000) 1.314 4.918 ( 1.117 0.040 0.000) 1.117 4.940 ( -1.890 0.280 0.000) 1.911 5.164 ( -4.202 0.096 0.000) 4.203 5.387 ( -0.090 -0.021 0.000) 0.093 5.495 ( 7.881 0.321 0.000) 7.887 5.651 ( -9.603 -0.444 0.000) 9.613 5.837 ( -1.337 0.636 0.000) 1.481 6.691 ( -0.405 -0.149 0.000) 0.432 6.933 ( -0.231 0.219 0.000) 0.318 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.334 0.701 0.000) 0.777 1.085 ( 1.933 -0.368 0.000) 1.968 1.343 ( -1.095 -1.727 0.000) 2.045 1.615 ( -1.071 -0.112 0.000) 1.077 1.630 ( -1.691 -3.123 0.000) 3.551 1.669 ( -2.980 0.224 0.000) 2.988 1.929 ( -1.975 -0.628 0.000) 2.073 1.931 ( -2.404 0.046 0.000) 2.405 2.029 ( 0.881 0.213 0.000) 0.906 2.032 ( 1.863 0.329 0.000) 1.891 2.235 ( -1.164 1.764 0.000) 2.113 2.262 ( -0.137 1.464 0.000) 1.470 2.580 ( 1.101 0.050 0.000) 1.102 2.844 ( -0.864 0.241 0.000) 0.897 2.939 ( -6.184 -0.889 0.000) 6.247 3.076 ( 3.126 1.696 0.000) 3.557 3.152 ( -3.155 -0.118 0.000) 3.157 3.152 ( 1.278 -0.366 0.000) 1.330 3.787 ( 1.208 -0.030 0.000) 1.208 4.029 ( 2.260 0.274 0.000) 2.276 4.210 ( -0.363 -0.053 0.000) 0.367 4.319 ( -4.913 -0.204 0.000) 4.917 4.389 ( -0.760 -0.341 0.000) 0.833 4.426 ( 3.098 0.112 0.000) 3.101 4.712 ( -5.379 -0.118 0.000) 5.380 4.806 ( 0.110 0.043 0.000) 0.118 4.873 ( -1.469 0.279 0.000) 1.495 4.917 ( -1.338 -0.127 0.000) 1.344 4.934 ( 1.781 -0.329 0.000) 1.811 5.161 ( 3.892 -0.112 0.000) 3.894 5.388 ( 0.133 0.024 0.000) 0.135 5.487 ( -7.730 -0.380 0.000) 7.739 5.662 ( 9.771 0.575 0.000) 9.788 5.823 ( -0.180 -0.761 0.000) 0.782 6.694 ( 0.771 0.178 0.000) 0.791 6.928 ( -0.299 -0.257 0.000) 0.394 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.630 -0.053 0.000) 0.633 1.135 ( 2.730 0.740 0.000) 2.829 1.331 ( -4.486 -6.514 0.000) 7.909 1.571 ( -4.126 -0.096 0.000) 4.127 1.600 ( -1.768 -4.472 0.000) 4.809 1.643 ( -0.210 -2.080 0.000) 2.091 1.855 ( -4.864 -0.004 0.000) 4.864 1.870 ( -4.951 -1.190 0.000) 5.092 2.044 ( -0.941 2.763 0.000) 2.919 2.053 ( 1.683 0.527 0.000) 1.764 2.172 ( -3.498 3.006 0.000) 4.612 2.227 ( -1.400 2.921 0.000) 3.239 2.612 ( 2.138 0.068 0.000) 2.139 2.766 ( -12.158 0.833 0.000) 12.186 2.808 ( -2.960 0.656 0.000) 3.032 3.036 ( -9.321 -0.360 0.000) 9.328 3.115 ( 1.066 1.293 0.000) 1.676 3.178 ( 1.163 0.182 0.000) 1.177 3.832 ( 3.522 -0.014 0.000) 3.522 4.107 ( 6.349 0.728 0.000) 6.391 4.198 ( -1.001 -0.106 0.000) 1.007 4.228 ( -4.267 -0.215 0.000) 4.272 4.370 ( -1.613 -0.809 0.000) 1.804 4.458 ( -0.048 -0.025 0.000) 0.055 4.588 ( -6.748 -0.092 0.000) 6.748 4.802 ( -4.062 -0.130 0.000) 4.065 4.810 ( 0.381 0.106 0.000) 0.395 4.875 ( -2.864 -0.316 0.000) 2.882 4.998 ( 2.958 -0.362 0.000) 2.981 5.265 ( 6.076 -0.708 0.000) 6.117 5.368 ( -5.212 -0.308 0.000) 5.222 5.392 ( 0.341 0.035 0.000) 0.343 5.812 ( 2.514 -1.219 0.000) 2.794 5.874 ( 8.667 -0.231 0.000) 8.670 6.717 ( 1.858 0.567 0.000) 1.943 6.924 ( -0.390 -0.804 0.000) 0.894 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.998 -0.401 0.000) 1.076 1.162 ( 0.333 0.539 0.000) 0.634 1.194 ( -12.703 -6.183 0.000) 14.128 1.441 ( -9.658 0.134 0.000) 9.659 1.636 ( 0.258 -7.178 0.000) 7.182 1.663 ( 1.112 -3.854 0.000) 4.011 1.758 ( -6.946 -1.085 0.000) 7.030 1.782 ( -2.260 0.157 0.000) 2.265 1.957 ( -5.588 5.999 0.000) 8.198 2.079 ( 0.950 0.434 0.000) 1.044 2.088 ( -3.687 2.138 0.000) 4.262 2.201 ( -0.741 1.370 0.000) 1.558 2.478 ( -16.196 3.853 0.000) 16.648 2.651 ( 1.822 -0.115 0.000) 1.826 2.734 ( -4.446 1.104 0.000) 4.581 2.816 ( -13.609 -0.506 0.000) 13.618 3.075 ( -5.077 0.426 0.000) 5.094 3.190 ( 0.182 0.906 0.000) 0.924 3.907 ( 3.679 0.154 0.000) 3.682 4.164 ( -2.801 -0.040 0.000) 2.801 4.180 ( -0.592 -0.039 0.000) 0.593 4.248 ( 7.161 1.058 0.000) 7.239 4.337 ( -0.870 -0.490 0.000) 0.999 4.423 ( -3.400 -0.218 0.000) 3.407 4.483 ( -4.020 -0.081 0.000) 4.021 4.743 ( -2.415 -0.580 0.000) 2.484 4.822 ( 0.966 0.096 0.000) 0.971 4.830 ( -1.639 -0.462 0.000) 1.703 5.029 ( 0.244 -0.367 0.000) 0.441 5.281 ( -4.376 -0.386 0.000) 4.393 5.388 ( 5.936 -2.304 0.000) 6.368 5.402 ( 0.722 -0.036 0.000) 0.723 5.841 ( 0.350 -3.517 0.000) 3.534 6.071 ( 11.355 1.192 0.000) 11.418 6.757 ( 2.664 0.876 0.000) 2.805 6.921 ( -0.479 -1.226 0.000) 1.316 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -15.822 -3.478 0.000) 16.200 0.952 ( -6.310 1.517 0.000) 6.490 1.157 ( -0.370 -2.109 0.000) 2.142 1.237 ( -10.815 -0.668 0.000) 10.836 1.578 ( -8.095 -0.408 0.000) 8.106 1.653 ( -6.137 -0.809 0.000) 6.191 1.713 ( -0.581 -8.318 0.000) 8.338 1.764 ( 0.281 1.179 0.000) 1.212 1.767 ( -12.001 4.638 0.000) 12.866 2.031 ( -1.582 -0.666 0.000) 1.716 2.058 ( -4.286 -0.200 0.000) 4.290 2.171 ( -2.074 0.206 0.000) 2.084 2.198 ( -7.817 5.663 0.000) 9.653 2.570 ( -11.064 -0.317 0.000) 11.069 2.631 ( -5.876 1.396 0.000) 6.040 2.680 ( 1.181 -0.425 0.000) 1.255 2.923 ( -10.724 -0.156 0.000) 10.725 3.180 ( -0.166 1.349 0.000) 1.359 3.933 ( -1.342 0.307 0.000) 1.376 4.095 ( -5.367 0.165 0.000) 5.369 4.203 ( 3.353 0.096 0.000) 3.354 4.211 ( -6.341 0.953 0.000) 6.413 4.355 ( -3.149 -0.314 0.000) 3.165 4.439 ( 0.774 -0.332 0.000) 0.842 4.477 ( 9.018 0.504 0.000) 9.032 4.707 ( -2.258 -1.494 0.000) 2.707 4.826 ( 0.899 -0.276 0.000) 0.940 4.846 ( 1.587 0.075 0.000) 1.589 5.021 ( -0.722 0.055 0.000) 0.724 5.195 ( -5.041 -0.557 0.000) 5.072 5.421 ( 1.308 -0.146 0.000) 1.316 5.504 ( 3.893 -5.872 0.000) 7.046 5.864 ( 0.135 -4.195 0.000) 4.197 6.280 ( 11.586 2.269 0.000) 11.807 6.805 ( 2.815 0.808 0.000) 2.929 6.919 ( -0.273 -1.183 0.000) 1.215 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -15.937 0.366 0.000) 15.942 0.729 ( -15.309 2.849 0.000) 15.572 1.074 ( -7.095 -0.910 0.000) 7.153 1.192 ( 2.330 -4.331 0.000) 4.918 1.263 ( -23.900 8.158 0.000) 25.254 1.490 ( -7.164 -0.899 0.000) 7.220 1.589 ( -6.391 1.493 0.000) 6.563 1.707 ( -3.760 -5.469 0.000) 6.637 1.768 ( 0.369 1.706 0.000) 1.746 1.896 ( -11.956 -0.604 0.000) 11.972 2.027 ( 0.175 -3.155 0.000) 3.159 2.144 ( 1.899 2.347 0.000) 3.019 2.154 ( 0.668 -0.661 0.000) 0.940 2.447 ( -2.488 0.036 0.000) 2.488 2.503 ( -6.673 1.520 0.000) 6.844 2.696 ( -12.759 -0.393 0.000) 12.765 2.701 ( 0.755 -0.667 0.000) 1.008 3.189 ( 2.036 1.222 0.000) 2.375 3.871 ( -4.201 0.261 0.000) 4.209 3.951 ( -9.151 0.137 0.000) 9.152 4.065 ( -8.168 0.867 0.000) 8.214 4.283 ( 4.380 0.190 0.000) 4.384 4.324 ( -0.419 -0.117 0.000) 0.435 4.453 ( 0.381 -1.188 0.000) 1.247 4.616 ( 2.004 -2.328 0.000) 3.072 4.681 ( 0.912 -0.178 0.000) 0.929 4.860 ( 2.439 0.283 0.000) 2.455 4.878 ( 1.756 0.098 0.000) 1.759 5.015 ( 0.194 0.269 0.000) 0.332 5.104 ( -4.505 -0.817 0.000) 4.578 5.450 ( 1.614 -0.215 0.000) 1.628 5.573 ( -2.257 -13.502 0.000) 13.689 5.888 ( 0.683 -2.833 0.000) 2.914 6.479 ( 11.122 4.259 0.000) 11.910 6.849 ( 1.870 -0.229 0.000) 1.884 6.924 ( 0.493 -0.095 0.000) 0.503 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( -13.273 6.311 0.000) 14.697 0.393 ( -18.018 3.267 0.000) 18.312 0.721 ( -26.735 12.819 0.000) 29.650 0.969 ( -4.234 -0.416 0.000) 4.254 1.282 ( 4.776 -4.570 0.000) 6.610 1.386 ( -4.256 0.158 0.000) 4.259 1.485 ( -3.440 1.605 0.000) 3.796 1.637 ( -12.230 -1.583 0.000) 12.332 1.644 ( -4.180 -2.706 0.000) 4.980 1.791 ( 0.554 2.801 0.000) 2.855 2.076 ( 2.784 -5.415 0.000) 6.089 2.170 ( 2.115 -0.318 0.000) 2.139 2.221 ( 6.067 3.831 0.000) 7.175 2.379 ( -5.083 1.916 0.000) 5.432 2.434 ( 0.287 0.032 0.000) 0.288 2.478 ( -9.714 -0.369 0.000) 9.721 2.716 ( 0.423 -0.700 0.000) 0.817 3.240 ( 3.311 0.795 0.000) 3.405 3.788 ( -7.086 0.090 0.000) 7.087 3.797 ( -3.139 0.134 0.000) 3.142 3.920 ( -6.230 0.134 0.000) 6.232 4.325 ( 0.287 -0.016 0.000) 0.287 4.350 ( 2.506 0.233 0.000) 2.517 4.425 ( -7.991 -9.023 0.000) 12.053 4.609 ( -0.882 -2.183 0.000) 2.355 4.716 ( 0.746 0.453 0.000) 0.873 4.893 ( 0.610 -0.041 0.000) 0.612 4.906 ( 1.169 0.124 0.000) 1.175 5.007 ( -3.500 -4.178 0.000) 5.450 5.054 ( -1.373 -0.471 0.000) 1.451 5.479 ( 1.141 -0.210 0.000) 1.160 5.508 ( -17.040 -26.437 0.000) 31.453 5.917 ( 1.376 -0.358 0.000) 1.422 6.659 ( 11.705 8.069 0.000) 14.217 6.877 ( 0.591 -1.766 0.000) 1.862 6.935 ( 0.876 1.523 0.000) 1.757 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.088 ( 0.000 8.896 0.000) 8.896 0.161 ( 0.000 16.402 0.000) 16.402 0.242 ( 0.000 24.661 0.000) 24.661 0.928 ( -0.000 -0.151 0.000) 0.151 1.340 ( 0.000 0.559 0.000) 0.559 1.394 ( -0.000 -4.835 0.000) 4.835 1.448 ( 0.000 1.138 0.000) 1.138 1.476 ( 0.000 0.020 0.000) 0.020 1.601 ( -0.000 -1.622 0.000) 1.622 1.786 ( 0.000 2.308 0.000) 2.308 2.173 ( -0.000 -7.023 0.000) 7.023 2.204 ( -0.000 -0.731 0.000) 0.731 2.290 ( 0.000 4.212 0.000) 4.212 2.353 ( 0.000 0.155 0.000) 0.155 2.439 ( 0.000 0.005 0.000) 0.005 2.590 ( -0.000 -2.980 0.000) 2.980 2.723 ( -0.000 -0.526 0.000) 0.526 3.281 ( 0.000 0.308 0.000) 0.308 3.715 ( 0.000 0.070 0.000) 0.070 3.732 ( 0.000 0.129 0.000) 0.129 3.765 ( 0.000 0.054 0.000) 0.054 3.857 ( 0.000 0.087 0.000) 0.087 4.328 ( 0.000 0.023 0.000) 0.023 4.373 ( 0.000 0.162 0.000) 0.162 4.618 ( 0.000 0.238 0.000) 0.238 4.714 ( 0.000 0.072 0.000) 0.072 4.763 ( 0.000 0.068 0.000) 0.068 4.908 ( 0.000 0.110 0.000) 0.110 4.917 ( 0.000 0.102 0.000) 0.102 5.043 ( 0.000 0.675 0.000) 0.675 5.266 ( -0.000 -1.985 0.000) 1.985 5.491 ( -0.000 -0.152 0.000) 0.152 5.933 ( 0.000 0.237 0.000) 0.237 6.850 ( 0.000 0.006 0.000) 0.006 6.892 ( -0.000 -2.271 0.000) 2.271 6.936 ( 0.000 2.105 0.000) 2.105 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 1.586 0.000 0.000) 1.586 1.150 ( -1.745 -0.000 0.000) 1.745 1.323 ( 14.238 0.000 0.000) 14.238 1.439 ( 9.471 0.000 0.000) 9.471 1.709 ( 1.544 0.000 0.000) 1.544 1.776 ( 5.518 0.000 0.000) 5.518 1.780 ( 2.918 0.000 0.000) 2.918 1.823 ( 7.742 0.000 0.000) 7.742 1.834 ( -4.784 -0.000 0.000) 4.784 2.044 ( 2.083 0.000 0.000) 2.083 2.071 ( -1.283 -0.000 0.000) 1.283 2.147 ( -1.287 -0.000 0.000) 1.287 2.408 ( 19.648 0.000 0.000) 19.648 2.653 ( -2.084 -0.000 0.000) 2.084 2.714 ( 4.915 0.000 0.000) 4.915 2.825 ( 13.562 0.000 0.000) 13.562 3.068 ( 4.319 0.000 0.000) 4.319 3.174 ( 0.587 0.000 0.000) 0.587 3.904 ( -3.472 -0.000 0.000) 3.472 4.165 ( 3.067 0.000 0.000) 3.067 4.180 ( 0.657 0.000 0.000) 0.657 4.231 ( -6.988 -0.000 0.000) 6.988 4.346 ( 1.536 0.000 0.000) 1.536 4.427 ( 3.216 0.000 0.000) 3.216 4.484 ( 3.981 0.000 0.000) 3.981 4.753 ( 1.841 0.000 0.000) 1.841 4.820 ( -0.992 -0.000 0.000) 0.992 4.839 ( 1.588 0.000 0.000) 1.588 5.035 ( -0.102 -0.000 0.000) 0.102 5.288 ( 4.283 0.000 0.000) 4.283 5.402 ( -0.821 -0.000 0.000) 0.821 5.425 ( -8.040 -0.000 0.000) 8.040 5.921 ( -1.716 -0.000 0.000) 1.716 6.036 ( -10.742 -0.000 0.000) 10.742 6.743 ( -2.472 -0.000 0.000) 2.472 6.941 ( 0.206 0.000 0.000) 0.206 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -0.461 0.024 0.000) 0.461 1.119 ( -1.743 -0.186 0.000) 1.753 1.495 ( 2.449 2.093 0.000) 3.222 1.573 ( 4.492 0.019 0.000) 4.492 1.689 ( -2.314 0.709 0.000) 2.421 1.718 ( -1.790 1.362 0.000) 2.249 1.855 ( 4.699 0.007 0.000) 4.699 1.915 ( 4.974 2.035 0.000) 5.374 1.943 ( 3.860 -2.934 0.000) 4.848 2.041 ( -1.535 -0.132 0.000) 1.540 2.115 ( 5.144 -0.347 0.000) 5.156 2.132 ( 0.816 -1.640 0.000) 1.832 2.611 ( -2.229 -0.016 0.000) 2.229 2.748 ( 15.504 -0.189 0.000) 15.505 2.793 ( 3.398 -0.162 0.000) 3.402 3.043 ( 9.075 0.086 0.000) 9.076 3.091 ( -1.450 -0.217 0.000) 1.466 3.170 ( -1.181 -0.120 0.000) 1.187 3.833 ( -3.412 0.002 0.000) 3.412 4.091 ( -6.000 -0.178 0.000) 6.002 4.200 ( 1.004 0.029 0.000) 1.004 4.232 ( 4.398 0.050 0.000) 4.398 4.389 ( 1.552 0.202 0.000) 1.565 4.458 ( -0.162 0.007 0.000) 0.162 4.590 ( 6.817 0.020 0.000) 6.817 4.805 ( 3.675 0.044 0.000) 3.675 4.808 ( -0.360 -0.026 0.000) 0.361 4.882 ( 2.589 0.068 0.000) 2.589 5.005 ( -3.045 0.064 0.000) 3.045 5.280 ( -7.173 0.160 0.000) 7.175 5.374 ( 5.283 0.062 0.000) 5.283 5.391 ( -0.377 -0.008 0.000) 0.377 5.836 ( -10.222 0.208 0.000) 10.224 5.884 ( -2.340 0.167 0.000) 2.346 6.706 ( -1.477 -0.117 0.000) 1.481 6.941 ( -0.153 0.174 0.000) 0.232 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 1.057 -0.028 0.000) 1.057 1.085 ( -1.801 -0.146 0.000) 1.807 1.422 ( -5.485 2.217 0.000) 5.916 1.618 ( 0.812 0.076 0.000) 0.816 1.641 ( -2.574 -0.611 0.000) 2.646 1.719 ( -0.138 1.353 0.000) 1.360 1.930 ( 2.482 -0.020 0.000) 2.483 1.945 ( 0.010 0.483 0.000) 0.483 1.995 ( 1.009 -1.515 0.000) 1.820 2.024 ( -0.301 -0.113 0.000) 0.322 2.198 ( 5.051 -0.501 0.000) 5.076 2.226 ( 4.445 -0.540 0.000) 4.478 2.578 ( -0.982 -0.024 0.000) 0.982 2.840 ( 1.430 -0.050 0.000) 1.430 2.973 ( 7.424 0.873 0.000) 7.475 3.040 ( -2.694 -0.580 0.000) 2.755 3.142 ( -1.385 -0.559 0.000) 1.494 3.155 ( 2.823 0.059 0.000) 2.824 3.788 ( -1.269 0.012 0.000) 1.269 4.022 ( -1.509 -0.144 0.000) 1.516 4.212 ( 0.225 0.029 0.000) 0.227 4.324 ( 4.730 0.100 0.000) 4.731 4.399 ( -0.178 0.204 0.000) 0.271 4.423 ( -3.167 -0.051 0.000) 3.167 4.715 ( 5.257 0.051 0.000) 5.258 4.805 ( 0.009 -0.026 0.000) 0.028 4.867 ( 1.264 -0.092 0.000) 1.267 4.918 ( 1.032 0.009 0.000) 1.032 4.942 ( -1.920 0.156 0.000) 1.926 5.164 ( -4.307 0.053 0.000) 4.307 5.387 ( -0.076 -0.012 0.000) 0.077 5.497 ( 7.935 0.179 0.000) 7.937 5.647 ( -9.591 -0.241 0.000) 9.594 5.842 ( -1.817 0.355 0.000) 1.852 6.689 ( -0.286 -0.083 0.000) 0.298 6.935 ( -0.406 0.122 0.000) 0.424 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.681 0.819 0.000) 1.065 1.080 ( 2.563 -0.587 0.000) 2.630 1.332 ( -3.440 -0.706 0.000) 3.512 1.600 ( -2.717 -2.685 0.000) 3.820 1.614 ( -1.174 -0.070 0.000) 1.176 1.672 ( -3.603 0.360 0.000) 3.621 1.923 ( -2.308 -0.516 0.000) 2.365 1.931 ( -2.375 0.034 0.000) 2.375 2.031 ( 1.063 0.148 0.000) 1.073 2.033 ( 2.488 -0.035 0.000) 2.488 2.252 ( 0.111 1.540 0.000) 1.544 2.273 ( 0.675 0.849 0.000) 1.085 2.580 ( 1.138 0.036 0.000) 1.139 2.846 ( -0.682 0.225 0.000) 0.718 2.933 ( -6.126 -0.509 0.000) 6.147 3.093 ( 3.386 1.702 0.000) 3.789 3.146 ( 1.467 -0.909 0.000) 1.726 3.151 ( -3.261 -0.084 0.000) 3.262 3.787 ( 1.189 -0.023 0.000) 1.189 4.031 ( 2.492 0.189 0.000) 2.499 4.210 ( -0.407 -0.036 0.000) 0.408 4.317 ( -4.965 -0.145 0.000) 4.967 4.386 ( -1.065 -0.225 0.000) 1.089 4.427 ( 3.070 0.081 0.000) 3.071 4.711 ( -5.394 -0.087 0.000) 5.395 4.807 ( 0.149 0.029 0.000) 0.152 4.876 ( -1.572 0.224 0.000) 1.588 4.915 ( -1.415 -0.120 0.000) 1.420 4.931 ( 1.723 -0.237 0.000) 1.739 5.160 ( 3.759 -0.080 0.000) 3.759 5.388 ( 0.151 0.017 0.000) 0.152 5.484 ( -7.671 -0.273 0.000) 7.676 5.667 ( 9.934 0.436 0.000) 9.944 5.816 ( -0.912 -0.558 0.000) 1.069 6.696 ( 0.937 0.129 0.000) 0.946 6.926 ( -0.536 -0.185 0.000) 0.567 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.982 -0.033 0.000) 0.982 1.142 ( 3.034 0.607 0.000) 3.095 1.274 ( -5.583 -5.066 0.000) 7.539 1.560 ( -2.504 -3.562 0.000) 4.354 1.570 ( -3.972 -0.086 0.000) 3.973 1.625 ( -1.131 -1.515 0.000) 1.891 1.855 ( -4.930 0.005 0.000) 4.930 1.860 ( -4.950 -0.893 0.000) 5.030 2.058 ( 1.745 0.430 0.000) 1.797 2.066 ( 0.657 1.804 0.000) 1.920 2.201 ( -3.629 2.845 0.000) 4.611 2.249 ( -1.928 1.655 0.000) 2.541 2.613 ( 2.101 0.057 0.000) 2.102 2.774 ( -10.893 0.744 0.000) 10.918 2.814 ( -2.713 0.537 0.000) 2.766 3.032 ( -9.423 -0.300 0.000) 9.428 3.128 ( 0.593 1.277 0.000) 1.408 3.178 ( 1.540 -0.039 0.000) 1.541 3.832 ( 3.567 -0.014 0.000) 3.567 4.114 ( 6.512 0.597 0.000) 6.539 4.197 ( -0.991 -0.083 0.000) 0.995 4.226 ( -4.224 -0.182 0.000) 4.228 4.363 ( -1.647 -0.656 0.000) 1.773 4.458 ( -0.135 -0.020 0.000) 0.136 4.587 ( -6.734 -0.080 0.000) 6.734 4.801 ( -4.214 -0.090 0.000) 4.215 4.811 ( 0.391 0.087 0.000) 0.401 4.872 ( -2.943 -0.270 0.000) 2.955 4.994 ( 2.868 -0.344 0.000) 2.888 5.258 ( 5.602 -0.600 0.000) 5.634 5.365 ( -5.217 -0.272 0.000) 5.225 5.392 ( 0.326 0.029 0.000) 0.327 5.801 ( 0.472 -1.046 0.000) 1.147 5.872 ( 10.198 -0.116 0.000) 10.199 6.723 ( 2.060 0.507 0.000) 2.121 6.917 ( -0.658 -0.704 0.000) 0.964 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -0.756 -0.262 0.000) 0.800 1.138 ( -11.322 -5.167 0.000) 12.445 1.167 ( -0.367 0.370 0.000) 0.521 1.443 ( -9.742 0.154 0.000) 9.744 1.564 ( -0.408 -7.035 0.000) 7.047 1.632 ( 0.274 -2.688 0.000) 2.702 1.748 ( -6.973 -0.903 0.000) 7.032 1.784 ( -1.907 0.157 0.000) 1.913 2.014 ( -4.419 5.640 0.000) 7.165 2.083 ( 0.776 0.407 0.000) 0.876 2.108 ( -4.601 1.941 0.000) 4.994 2.208 ( -2.047 -0.032 0.000) 2.047 2.515 ( -14.670 3.549 0.000) 15.093 2.650 ( 1.678 -0.109 0.000) 1.682 2.745 ( -4.268 0.978 0.000) 4.379 2.811 ( -13.632 -0.479 0.000) 13.640 3.079 ( -5.456 0.406 0.000) 5.471 3.199 ( 0.533 0.871 0.000) 1.021 3.908 ( 3.790 0.142 0.000) 3.793 4.164 ( -2.683 -0.031 0.000) 2.683 4.179 ( -0.533 -0.044 0.000) 0.534 4.259 ( 7.281 1.060 0.000) 7.358 4.333 ( -0.399 -0.431 0.000) 0.588 4.421 ( -3.500 -0.205 0.000) 3.506 4.482 ( -4.031 -0.084 0.000) 4.032 4.737 ( -2.816 -0.567 0.000) 2.873 4.823 ( 0.951 0.091 0.000) 0.955 4.826 ( -1.659 -0.405 0.000) 1.708 5.025 ( 0.307 -0.464 0.000) 0.557 5.277 ( -4.449 -0.358 0.000) 4.464 5.365 ( 4.517 -2.405 0.000) 5.118 5.401 ( 0.668 -0.034 0.000) 0.669 5.810 ( -0.078 -2.764 0.000) 2.765 6.081 ( 11.686 0.816 0.000) 11.714 6.766 ( 2.848 0.971 0.000) 3.009 6.908 ( -0.704 -1.299 0.000) 1.478 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -13.234 -1.555 0.000) 13.325 0.969 ( -4.517 1.757 0.000) 4.847 1.136 ( -2.326 -2.207 0.000) 3.207 1.229 ( -11.566 -0.834 0.000) 11.596 1.561 ( -5.298 -4.315 0.000) 6.833 1.616 ( -5.106 -5.415 0.000) 7.443 1.657 ( -2.319 -2.654 0.000) 3.525 1.776 ( 0.885 1.197 0.000) 1.488 1.830 ( -11.940 7.260 0.000) 13.974 2.027 ( -3.061 -0.037 0.000) 3.062 2.056 ( -4.769 -0.215 0.000) 4.774 2.165 ( -2.678 -1.333 0.000) 2.991 2.253 ( -8.564 5.229 0.000) 10.034 2.567 ( -10.846 -0.331 0.000) 10.851 2.644 ( -5.779 1.317 0.000) 5.927 2.676 ( 0.989 -0.457 0.000) 1.089 2.921 ( -10.931 -0.127 0.000) 10.932 3.194 ( -0.044 1.373 0.000) 1.373 3.936 ( -1.301 0.323 0.000) 1.341 4.097 ( -5.315 0.170 0.000) 5.318 4.204 ( 3.442 0.104 0.000) 3.444 4.222 ( -5.957 1.154 0.000) 6.068 4.352 ( -3.130 -0.333 0.000) 3.148 4.437 ( 0.420 -0.072 0.000) 0.426 4.482 ( 9.127 0.614 0.000) 9.148 4.690 ( -3.025 -1.978 0.000) 3.615 4.823 ( 1.122 -0.288 0.000) 1.158 4.847 ( 1.590 0.078 0.000) 1.592 5.022 ( -0.392 0.018 0.000) 0.393 5.189 ( -5.202 -0.627 0.000) 5.239 5.420 ( 1.244 -0.157 0.000) 1.254 5.440 ( 0.559 -6.942 0.000) 6.965 5.829 ( 0.821 -2.863 0.000) 2.979 6.300 ( 12.105 1.721 0.000) 12.226 6.815 ( 2.644 1.089 0.000) 2.859 6.906 ( -0.108 -1.485 0.000) 1.489 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -11.816 4.454 0.000) 12.627 0.761 ( -14.958 3.737 0.000) 15.418 1.062 ( -6.991 -1.406 0.000) 7.131 1.145 ( 1.441 -5.085 0.000) 5.285 1.335 ( -21.193 5.548 0.000) 21.907 1.481 ( -6.752 -1.013 0.000) 6.828 1.600 ( -5.259 0.388 0.000) 5.273 1.662 ( -3.232 -2.750 0.000) 4.243 1.786 ( -0.054 1.931 0.000) 1.931 1.889 ( -11.448 -0.836 0.000) 11.479 1.991 ( -1.932 -4.056 0.000) 4.492 2.142 ( -0.138 -1.255 0.000) 1.263 2.171 ( 1.319 2.649 0.000) 2.959 2.447 ( -2.408 0.049 0.000) 2.409 2.519 ( -6.585 1.525 0.000) 6.759 2.692 ( -12.863 -0.448 0.000) 12.871 2.694 ( 0.600 -0.815 0.000) 1.012 3.202 ( 1.942 1.411 0.000) 2.401 3.874 ( -4.242 0.316 0.000) 4.254 3.953 ( -9.178 0.156 0.000) 9.179 4.076 ( -8.355 1.380 0.000) 8.468 4.285 ( 4.403 0.237 0.000) 4.410 4.323 ( -0.284 -0.146 0.000) 0.320 4.438 ( -1.628 -1.969 0.000) 2.555 4.591 ( -0.610 -2.700 0.000) 2.768 4.679 ( 2.984 -0.277 0.000) 2.997 4.863 ( 2.775 0.418 0.000) 2.807 4.879 ( 1.786 0.115 0.000) 1.789 5.019 ( -0.073 0.433 0.000) 0.439 5.095 ( -4.638 -0.958 0.000) 4.735 5.433 ( -7.290 -14.392 0.000) 16.133 5.448 ( 1.570 -0.269 0.000) 1.593 5.870 ( 2.309 -1.152 0.000) 2.581 6.515 ( 11.938 3.100 0.000) 12.334 6.847 ( 0.907 -0.346 0.000) 0.971 6.923 ( 1.472 -0.036 0.000) 1.473 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -16.911 4.380 0.000) 17.469 0.447 ( -7.196 12.248 0.000) 14.206 0.853 ( -22.437 13.669 0.000) 26.272 0.963 ( -4.088 -0.863 0.000) 4.178 1.228 ( 4.204 -6.141 0.000) 7.442 1.389 ( -3.543 0.464 0.000) 3.574 1.505 ( -3.351 2.361 0.000) 4.099 1.611 ( -3.997 -3.933 0.000) 5.607 1.623 ( -12.094 -1.209 0.000) 12.155 1.819 ( 0.721 2.677 0.000) 2.772 2.015 ( 2.001 -6.889 0.000) 7.174 2.164 ( 1.765 -0.843 0.000) 1.956 2.252 ( 8.425 2.215 0.000) 8.711 2.398 ( -4.684 1.797 0.000) 5.017 2.435 ( 0.268 0.062 0.000) 0.275 2.474 ( -9.626 -0.514 0.000) 9.640 2.707 ( 0.351 -0.999 0.000) 1.059 3.249 ( 3.164 1.065 0.000) 3.338 3.789 ( -7.063 0.128 0.000) 7.064 3.798 ( -3.215 0.186 0.000) 3.220 3.922 ( -6.649 0.321 0.000) 6.657 4.312 ( -19.313 -13.175 0.000) 23.379 4.325 ( 0.358 0.021 0.000) 0.358 4.352 ( 2.497 0.285 0.000) 2.513 4.593 ( 1.143 -0.968 0.000) 1.498 4.720 ( 0.547 0.328 0.000) 0.638 4.892 ( -0.848 -0.195 0.000) 0.870 4.908 ( 1.193 0.172 0.000) 1.205 4.962 ( -8.284 -4.051 0.000) 9.222 5.057 ( -0.091 0.740 0.000) 0.746 5.309 ( -11.766 -14.892 0.000) 18.979 5.476 ( 1.124 -0.311 0.000) 1.167 5.917 ( 2.085 0.198 0.000) 2.095 6.716 ( 11.110 3.955 0.000) 11.793 6.859 ( 0.093 -1.758 0.000) 1.760 6.950 ( 1.386 1.427 0.000) 1.989 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.172 ( 0.000 8.218 0.000) 8.218 0.318 ( 0.000 15.628 0.000) 15.628 0.478 ( 0.000 23.678 0.000) 23.678 0.926 ( -0.000 -0.451 0.000) 0.451 1.332 ( -0.000 -7.423 0.000) 7.423 1.348 ( 0.000 1.015 0.000) 1.015 1.464 ( 0.000 2.117 0.000) 2.117 1.476 ( 0.000 0.036 0.000) 0.036 1.578 ( -0.000 -3.098 0.000) 3.098 1.813 ( 0.000 2.979 0.000) 2.979 2.099 ( -0.000 -8.167 0.000) 8.167 2.194 ( -0.000 -1.281 0.000) 1.281 2.325 ( 0.000 2.971 0.000) 2.971 2.355 ( 0.000 0.245 0.000) 0.245 2.439 ( 0.000 0.025 0.000) 0.025 2.548 ( -0.000 -5.592 0.000) 5.592 2.716 ( -0.000 -0.942 0.000) 0.942 3.285 ( 0.000 0.557 0.000) 0.557 3.716 ( 0.000 0.125 0.000) 0.125 3.734 ( 0.000 0.229 0.000) 0.229 3.766 ( 0.000 0.096 0.000) 0.096 3.858 ( 0.000 0.153 0.000) 0.153 4.328 ( 0.000 0.063 0.000) 0.063 4.375 ( 0.000 0.263 0.000) 0.263 4.622 ( 0.000 0.565 0.000) 0.565 4.715 ( 0.000 0.128 0.000) 0.128 4.764 ( 0.000 0.120 0.000) 0.120 4.909 ( 0.000 0.191 0.000) 0.191 4.919 ( 0.000 0.178 0.000) 0.178 5.052 ( 0.000 1.164 0.000) 1.164 5.238 ( -0.000 -3.641 0.000) 3.641 5.489 ( -0.000 -0.282 0.000) 0.282 5.936 ( 0.000 0.417 0.000) 0.417 6.851 ( 0.000 0.012 0.000) 0.012 6.870 ( -0.000 -2.206 0.000) 2.206 6.955 ( 0.000 1.922 0.000) 1.922 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 1.213 0.000 0.000) 1.213 1.084 ( -1.881 -0.000 0.000) 1.881 1.434 ( -6.078 -0.000 0.000) 6.078 1.619 ( 0.793 0.000 0.000) 0.793 1.637 ( -3.091 -0.000 0.000) 3.091 1.726 ( -0.492 -0.000 0.000) 0.492 1.930 ( 2.488 0.000 0.000) 2.488 1.948 ( -0.627 -0.000 0.000) 0.627 1.986 ( 1.858 0.000 0.000) 1.858 2.023 ( -0.247 -0.000 0.000) 0.247 2.196 ( 5.406 0.000 0.000) 5.406 2.223 ( 4.909 0.000 0.000) 4.909 2.578 ( -0.971 -0.000 0.000) 0.971 2.839 ( 1.488 0.000 0.000) 1.488 2.978 ( 7.755 0.000 0.000) 7.755 3.037 ( -2.765 -0.000 0.000) 2.765 3.139 ( -1.503 -0.000 0.000) 1.503 3.156 ( 2.793 0.000 0.000) 2.793 3.788 ( -1.274 -0.000 0.000) 1.274 4.021 ( -1.439 -0.000 0.000) 1.439 4.212 ( 0.212 0.000 0.000) 0.212 4.325 ( 4.712 0.000 0.000) 4.712 4.400 ( -0.263 -0.000 0.000) 0.263 4.423 ( -3.171 -0.000 0.000) 3.171 4.715 ( 5.240 0.000 0.000) 5.240 4.805 ( 0.020 0.000 0.000) 0.020 4.866 ( 1.253 0.000 0.000) 1.253 4.919 ( 1.000 0.000 0.000) 1.000 4.943 ( -1.930 -0.000 0.000) 1.930 5.165 ( -4.345 -0.000 0.000) 4.345 5.387 ( -0.070 -0.000 0.000) 0.070 5.498 ( 7.955 0.000 0.000) 7.955 5.646 ( -9.590 -0.000 0.000) 9.590 5.844 ( -1.987 -0.000 0.000) 1.987 6.689 ( -0.244 -0.000 0.000) 0.244 6.935 ( -0.468 -0.000 0.000) 0.468 ======================= Grid point 43 (31/147) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -1.548 0.470 0.000) 1.618 1.075 ( 3.592 -0.387 0.000) 3.613 1.328 ( -4.889 -0.137 0.000) 4.891 1.581 ( -3.046 -1.052 0.000) 3.223 1.614 ( -1.236 -0.023 0.000) 1.236 1.675 ( -4.027 0.144 0.000) 4.030 1.920 ( -2.462 -0.202 0.000) 2.470 1.932 ( -2.357 0.012 0.000) 2.357 2.032 ( 2.865 -0.055 0.000) 2.866 2.032 ( 1.166 0.053 0.000) 1.167 2.263 ( 0.968 0.715 0.000) 1.204 2.278 ( 0.867 0.157 0.000) 0.881 2.580 ( 1.159 0.013 0.000) 1.160 2.848 ( -0.568 0.094 0.000) 0.576 2.929 ( -6.129 -0.162 0.000) 6.131 3.108 ( 3.749 1.089 0.000) 3.904 3.136 ( 1.385 -0.832 0.000) 1.616 3.150 ( -3.321 -0.030 0.000) 3.321 3.786 ( 1.178 -0.009 0.000) 1.178 4.033 ( 2.620 0.067 0.000) 2.621 4.210 ( -0.431 -0.013 0.000) 0.432 4.316 ( -4.993 -0.053 0.000) 4.994 4.385 ( -1.239 -0.078 0.000) 1.241 4.427 ( 3.053 0.030 0.000) 3.053 4.710 ( -5.398 -0.032 0.000) 5.398 4.807 ( 0.172 0.010 0.000) 0.172 4.877 ( -1.642 0.087 0.000) 1.644 4.914 ( -1.449 -0.050 0.000) 1.450 4.929 ( 1.686 -0.086 0.000) 1.689 5.160 ( 3.683 -0.029 0.000) 3.683 5.388 ( 0.161 0.006 0.000) 0.161 5.482 ( -7.639 -0.099 0.000) 7.640 5.670 ( 10.063 0.164 0.000) 10.065 5.812 ( -1.360 -0.206 0.000) 1.376 6.696 ( 1.034 0.047 0.000) 1.035 6.925 ( -0.672 -0.067 0.000) 0.676 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -1.206 -0.014 0.000) 1.206 1.147 ( 3.224 0.340 0.000) 3.242 1.236 ( -6.470 -2.760 0.000) 7.034 1.532 ( -2.793 -1.962 0.000) 3.414 1.569 ( -3.861 -0.051 0.000) 3.862 1.614 ( -1.841 -0.792 0.000) 2.004 1.853 ( -4.918 -0.484 0.000) 4.941 1.855 ( -4.976 0.006 0.000) 4.976 2.061 ( 1.789 0.240 0.000) 1.805 2.079 ( 1.762 0.879 0.000) 1.969 2.225 ( -3.739 1.981 0.000) 4.232 2.259 ( -2.403 0.412 0.000) 2.438 2.613 ( 2.074 0.032 0.000) 2.074 2.780 ( -10.045 0.448 0.000) 10.055 2.818 ( -2.518 0.300 0.000) 2.536 3.030 ( -9.496 -0.170 0.000) 9.498 3.139 ( -0.062 0.877 0.000) 0.879 3.177 ( 2.162 -0.174 0.000) 2.169 3.832 ( 3.599 -0.009 0.000) 3.599 4.119 ( 6.635 0.333 0.000) 6.643 4.196 ( -0.980 -0.045 0.000) 0.981 4.224 ( -4.198 -0.104 0.000) 4.200 4.358 ( -1.675 -0.364 0.000) 1.714 4.457 ( -0.196 -0.011 0.000) 0.197 4.587 ( -6.729 -0.046 0.000) 6.729 4.800 ( -4.321 -0.044 0.000) 4.321 4.812 ( 0.400 0.049 0.000) 0.403 4.870 ( -2.981 -0.154 0.000) 2.985 4.991 ( 2.775 -0.215 0.000) 2.783 5.253 ( 5.256 -0.344 0.000) 5.268 5.363 ( -5.231 -0.160 0.000) 5.233 5.393 ( 0.316 0.017 0.000) 0.316 5.792 ( -0.655 -0.595 0.000) 0.885 5.872 ( 10.986 -0.045 0.000) 10.986 6.727 ( 2.227 0.304 0.000) 2.247 6.911 ( -0.873 -0.415 0.000) 0.966 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -0.564 -0.125 0.000) 0.577 1.096 ( -9.782 -3.352 0.000) 10.340 1.170 ( -0.946 0.187 0.000) 0.965 1.444 ( -9.804 0.126 0.000) 9.804 1.505 ( -1.910 -4.839 0.000) 5.202 1.610 ( 0.186 -1.826 0.000) 1.835 1.741 ( -7.028 -0.602 0.000) 7.054 1.785 ( -1.615 0.117 0.000) 1.620 2.064 ( -2.737 4.546 0.000) 5.306 2.087 ( 0.636 0.287 0.000) 0.697 2.125 ( -5.418 1.419 0.000) 5.601 2.202 ( -3.495 -1.174 0.000) 3.687 2.545 ( -13.578 2.479 0.000) 13.803 2.649 ( 1.558 -0.078 0.000) 1.560 2.753 ( -4.155 0.652 0.000) 4.205 2.807 ( -13.650 -0.341 0.000) 13.654 3.083 ( -5.756 0.292 0.000) 5.764 3.206 ( 0.790 0.626 0.000) 1.008 3.909 ( 3.883 0.099 0.000) 3.884 4.163 ( -2.597 -0.018 0.000) 2.597 4.179 ( -0.471 -0.035 0.000) 0.472 4.268 ( 7.337 0.787 0.000) 7.379 4.329 ( 0.133 -0.276 0.000) 0.306 4.420 ( -3.583 -0.144 0.000) 3.586 4.481 ( -4.032 -0.064 0.000) 4.033 4.732 ( -3.222 -0.424 0.000) 3.250 4.823 ( -1.670 -0.258 0.000) 1.690 4.824 ( 0.939 0.064 0.000) 0.941 5.021 ( 0.336 -0.426 0.000) 0.543 5.274 ( -4.535 -0.231 0.000) 4.541 5.343 ( 3.231 -1.846 0.000) 3.721 5.401 ( 0.623 -0.024 0.000) 0.623 5.788 ( -0.244 -1.709 0.000) 1.726 6.087 ( 11.917 0.467 0.000) 11.926 6.775 ( 3.097 0.822 0.000) 3.204 6.897 ( -0.988 -1.055 0.000) 1.445 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -9.811 0.607 0.000) 9.830 0.985 ( -2.374 1.623 0.000) 2.876 1.116 ( -4.329 -1.835 0.000) 4.702 1.221 ( -12.530 -0.816 0.000) 12.556 1.491 ( -3.958 -8.276 0.000) 9.174 1.591 ( -5.811 -0.760 0.000) 5.860 1.634 ( -2.426 -2.295 0.000) 3.339 1.786 ( 1.403 0.957 0.000) 1.698 1.900 ( -11.351 6.892 0.000) 13.280 2.030 ( -4.399 0.656 0.000) 4.447 2.054 ( -5.235 -0.182 0.000) 5.238 2.146 ( -3.041 -2.500 0.000) 3.936 2.297 ( -9.197 3.798 0.000) 9.950 2.564 ( -10.637 -0.271 0.000) 10.641 2.656 ( -5.719 0.987 0.000) 5.803 2.672 ( 0.805 -0.383 0.000) 0.892 2.920 ( -11.125 -0.079 0.000) 11.126 3.206 ( 0.054 1.094 0.000) 1.096 3.939 ( -1.262 0.266 0.000) 1.290 4.098 ( -5.270 0.137 0.000) 5.272 4.205 ( 3.527 0.088 0.000) 3.528 4.233 ( -5.422 1.061 0.000) 5.525 4.349 ( -3.111 -0.276 0.000) 3.123 4.437 ( -0.135 0.165 0.000) 0.213 4.489 ( 9.666 0.810 0.000) 9.700 4.669 ( -4.181 -2.195 0.000) 4.723 4.820 ( 1.319 -0.232 0.000) 1.339 4.847 ( 1.592 0.063 0.000) 1.593 5.022 ( 0.007 -0.053 0.000) 0.054 5.184 ( -5.362 -0.525 0.000) 5.388 5.375 ( -2.402 -6.031 0.000) 6.492 5.418 ( 1.181 -0.132 0.000) 1.189 5.808 ( 1.663 -1.625 0.000) 2.325 6.313 ( 12.442 1.108 0.000) 12.492 6.827 ( 2.472 1.324 0.000) 2.804 6.891 ( 0.059 -1.650 0.000) 1.651 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -6.796 8.156 0.000) 10.616 0.799 ( -14.870 4.032 0.000) 15.407 1.047 ( -6.932 -1.795 0.000) 7.160 1.097 ( 0.796 -4.767 0.000) 4.833 1.351 ( -16.555 -2.692 0.000) 16.772 1.474 ( -5.384 -0.091 0.000) 5.385 1.595 ( -3.148 -0.696 0.000) 3.224 1.667 ( -7.245 3.417 0.000) 8.011 1.805 ( -0.496 1.858 0.000) 1.923 1.880 ( -10.978 -1.002 0.000) 11.023 1.951 ( -4.184 -3.952 0.000) 5.755 2.129 ( 0.243 -1.429 0.000) 1.449 2.194 ( -0.417 1.966 0.000) 2.010 2.448 ( -2.320 0.053 0.000) 2.320 2.532 ( -6.570 1.217 0.000) 6.682 2.686 ( 0.432 -0.779 0.000) 0.891 2.687 ( -12.979 -0.397 0.000) 12.985 3.215 ( 1.850 1.270 0.000) 2.244 3.877 ( -4.284 0.299 0.000) 4.294 3.954 ( -9.207 0.137 0.000) 9.208 4.091 ( -8.472 1.793 0.000) 8.660 4.287 ( 4.445 0.234 0.000) 4.451 4.322 ( -0.160 -0.144 0.000) 0.215 4.415 ( -5.180 -2.776 0.000) 5.877 4.566 ( -1.473 -2.209 0.000) 2.656 4.676 ( 4.448 -0.317 0.000) 4.460 4.868 ( 3.266 0.517 0.000) 3.306 4.880 ( 1.817 0.106 0.000) 1.820 5.024 ( -0.342 0.630 0.000) 0.717 5.086 ( -4.559 -0.888 0.000) 4.645 5.304 ( -9.437 -11.743 0.000) 15.065 5.445 ( 1.520 -0.262 0.000) 1.542 5.862 ( 3.252 -0.467 0.000) 3.286 6.540 ( 12.214 1.959 0.000) 12.370 6.843 ( -0.060 -0.386 0.000) 0.391 6.923 ( 2.460 0.034 0.000) 2.460 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -16.020 4.457 0.000) 16.628 0.580 ( -3.866 14.590 0.000) 15.093 0.952 ( -3.966 -1.474 0.000) 4.231 0.976 ( -17.434 11.012 0.000) 20.621 1.168 ( 3.585 -6.003 0.000) 6.992 1.396 ( -2.903 0.900 0.000) 3.040 1.529 ( -2.858 2.456 0.000) 3.768 1.571 ( -4.395 -3.916 0.000) 5.886 1.614 ( -11.976 -0.757 0.000) 12.000 1.842 ( 0.963 2.031 0.000) 2.248 1.945 ( 1.011 -7.167 0.000) 7.238 2.154 ( 1.492 -1.099 0.000) 1.854 2.262 ( 8.144 -0.302 0.000) 8.150 2.413 ( -4.818 1.309 0.000) 4.992 2.435 ( 0.253 0.088 0.000) 0.268 2.468 ( -9.562 -0.519 0.000) 9.576 2.697 ( 0.263 -1.077 0.000) 1.109 3.259 ( 2.968 1.072 0.000) 3.156 3.790 ( -7.054 0.136 0.000) 7.055 3.800 ( -3.285 0.193 0.000) 3.291 3.927 ( -7.351 0.633 0.000) 7.379 4.189 ( -24.146 -11.432 0.000) 26.715 4.325 ( 0.420 0.062 0.000) 0.425 4.355 ( 2.506 0.261 0.000) 2.519 4.589 ( 2.609 -0.107 0.000) 2.612 4.722 ( 0.442 0.191 0.000) 0.481 4.890 ( -3.949 -0.137 0.000) 3.952 4.909 ( 1.222 0.179 0.000) 1.236 4.935 ( -6.425 -1.611 0.000) 6.624 5.065 ( 0.572 0.910 0.000) 1.074 5.196 ( -4.849 -9.122 0.000) 10.330 5.473 ( 1.101 -0.348 0.000) 1.155 5.919 ( 2.396 0.311 0.000) 2.416 6.743 ( 9.913 1.927 0.000) 10.099 6.843 ( -0.260 -1.532 0.000) 1.554 6.963 ( 1.757 1.197 0.000) 2.126 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.247 ( 0.000 7.072 0.000) 7.072 0.464 ( 0.000 14.220 0.000) 14.220 0.701 ( 0.000 21.842 0.000) 21.842 0.919 ( -0.000 -1.013 0.000) 1.013 1.257 ( -0.000 -7.727 0.000) 7.727 1.359 ( 0.000 1.280 0.000) 1.280 1.477 ( 0.000 0.043 0.000) 0.043 1.489 ( 0.000 2.805 0.000) 2.805 1.542 ( -0.000 -4.240 0.000) 4.240 1.840 ( 0.000 2.550 0.000) 2.550 2.016 ( -0.000 -8.635 0.000) 8.635 2.180 ( -0.000 -1.535 0.000) 1.535 2.348 ( 0.000 1.790 0.000) 1.790 2.357 ( 0.000 0.256 0.000) 0.256 2.439 ( 0.000 0.059 0.000) 0.059 2.484 ( -0.000 -7.369 0.000) 7.369 2.705 ( -0.000 -1.154 0.000) 1.154 3.291 ( 0.000 0.691 0.000) 0.691 3.718 ( 0.000 0.151 0.000) 0.151 3.736 ( 0.000 0.277 0.000) 0.277 3.767 ( 0.000 0.115 0.000) 0.115 3.860 ( 0.000 0.182 0.000) 0.182 4.329 ( 0.000 0.107 0.000) 0.107 4.378 ( 0.000 0.283 0.000) 0.283 4.630 ( 0.000 0.984 0.000) 0.984 4.717 ( 0.000 0.154 0.000) 0.154 4.765 ( 0.000 0.145 0.000) 0.145 4.911 ( 0.000 0.205 0.000) 0.205 4.921 ( 0.000 0.212 0.000) 0.212 5.064 ( 0.000 1.358 0.000) 1.358 5.197 ( -0.000 -4.649 0.000) 4.649 5.486 ( -0.000 -0.361 0.000) 0.361 5.941 ( 0.000 0.499 0.000) 0.499 6.850 ( -0.000 -1.976 0.000) 1.976 6.851 ( 0.000 0.015 0.000) 0.015 6.973 ( 0.000 1.652 0.000) 1.652 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -1.283 -0.000 0.000) 1.283 1.148 ( 3.288 0.000 0.000) 3.288 1.222 ( -6.812 -0.000 0.000) 6.812 1.523 ( -2.861 -0.000 0.000) 2.861 1.569 ( -3.821 -0.000 0.000) 3.821 1.610 ( -2.104 -0.000 0.000) 2.104 1.851 ( -4.901 -0.000 0.000) 4.901 1.855 ( -4.992 -0.000 0.000) 4.992 2.062 ( 1.805 0.000 0.000) 1.805 2.083 ( 2.152 0.000 0.000) 2.152 2.236 ( -3.802 -0.000 0.000) 3.802 2.260 ( -2.564 -0.000 0.000) 2.564 2.614 ( 2.064 0.000 0.000) 2.064 2.782 ( -9.751 -0.000 0.000) 9.751 2.819 ( -2.444 -0.000 0.000) 2.444 3.029 ( -9.523 -0.000 0.000) 9.523 3.144 ( -0.487 -0.000 0.000) 0.487 3.176 ( 2.583 0.000 0.000) 2.583 3.832 ( 3.610 0.000 0.000) 3.610 4.120 ( 6.681 0.000 0.000) 6.681 4.196 ( -0.975 -0.000 0.000) 0.975 4.224 ( -4.190 -0.000 0.000) 4.190 4.356 ( -1.686 -0.000 0.000) 1.686 4.457 ( -0.218 -0.000 0.000) 0.218 4.586 ( -6.729 -0.000 0.000) 6.729 4.800 ( -4.359 -0.000 0.000) 4.359 4.812 ( 0.403 0.000 0.000) 0.403 4.869 ( -2.990 -0.000 0.000) 2.990 4.990 ( 2.735 0.000 0.000) 2.735 5.252 ( 5.130 0.000 0.000) 5.130 5.362 ( -5.237 -0.000 0.000) 5.237 5.393 ( 0.312 0.000 0.000) 0.312 5.789 ( -1.010 -0.000 0.000) 1.010 5.871 ( 11.223 0.000 0.000) 11.223 6.728 ( 2.293 0.000 0.000) 2.293 6.909 ( -0.956 -0.000 0.000) 0.956 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -0.454 -0.034 0.000) 0.455 1.074 ( -8.716 -1.151 0.000) 8.791 1.171 ( -1.277 0.053 0.000) 1.278 1.445 ( -9.835 0.049 0.000) 9.835 1.473 ( -2.937 -1.725 0.000) 3.406 1.598 ( 0.147 -0.649 0.000) 0.665 1.737 ( -7.062 -0.211 0.000) 7.065 1.786 ( -1.451 0.043 0.000) 1.452 2.089 ( 0.557 0.103 0.000) 0.567 2.098 ( -0.604 2.021 0.000) 2.109 2.136 ( -6.253 0.685 0.000) 6.291 2.189 ( -5.032 -1.069 0.000) 5.144 2.561 ( -13.022 0.889 0.000) 13.052 2.648 ( 1.489 -0.028 0.000) 1.489 2.757 ( -4.102 0.225 0.000) 4.108 2.804 ( -13.660 -0.123 0.000) 13.660 3.085 ( -5.921 0.106 0.000) 5.922 3.211 ( 0.921 0.227 0.000) 0.949 3.910 ( 3.935 0.035 0.000) 3.935 4.163 ( -2.554 -0.006 0.000) 2.554 4.179 ( -0.432 -0.014 0.000) 0.432 4.274 ( 7.307 0.289 0.000) 7.312 4.327 ( 0.544 -0.089 0.000) 0.551 4.419 ( -3.630 -0.052 0.000) 3.631 4.481 ( -4.029 -0.024 0.000) 4.029 4.729 ( -3.489 -0.159 0.000) 3.493 4.821 ( -1.672 -0.085 0.000) 1.674 4.824 ( 0.931 0.023 0.000) 0.932 5.018 ( 0.335 -0.179 0.000) 0.380 5.273 ( -4.605 -0.072 0.000) 4.606 5.331 ( 2.487 -0.699 0.000) 2.583 5.401 ( 0.597 -0.009 0.000) 0.597 5.777 ( -0.273 -0.572 0.000) 0.634 6.090 ( 12.033 0.151 0.000) 12.034 6.781 ( 3.315 0.338 0.000) 3.332 6.889 ( -1.225 -0.422 0.000) 1.296 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -6.515 1.366 0.000) 6.657 0.999 ( -0.335 1.019 0.000) 1.073 1.101 ( -6.030 -1.062 0.000) 6.123 1.214 ( -13.436 -0.526 0.000) 13.446 1.421 ( -5.040 -5.503 0.000) 7.462 1.589 ( -5.014 0.356 0.000) 5.026 1.613 ( -2.771 -1.942 0.000) 3.384 1.794 ( 1.747 0.529 0.000) 1.825 1.959 ( -10.554 4.765 0.000) 11.580 2.039 ( -6.253 1.130 0.000) 6.354 2.052 ( -5.573 -0.104 0.000) 5.574 2.118 ( -2.373 -3.032 0.000) 3.850 2.326 ( -9.687 1.995 0.000) 9.891 2.562 ( -10.487 -0.151 0.000) 10.488 2.663 ( -5.683 0.523 0.000) 5.707 2.669 ( 0.673 -0.218 0.000) 0.708 2.920 ( -11.263 -0.036 0.000) 11.263 3.214 ( 0.115 0.601 0.000) 0.612 3.941 ( -1.233 0.150 0.000) 1.242 4.099 ( -5.241 0.076 0.000) 5.241 4.206 ( 3.588 0.051 0.000) 3.588 4.241 ( -4.909 0.634 0.000) 4.950 4.347 ( -3.096 -0.155 0.000) 3.100 4.439 ( -0.550 0.182 0.000) 0.580 4.497 ( 10.526 0.779 0.000) 10.555 4.649 ( -5.635 -1.663 0.000) 5.875 4.818 ( 1.446 -0.126 0.000) 1.452 4.848 ( 1.592 0.035 0.000) 1.593 5.021 ( 0.353 -0.081 0.000) 0.362 5.180 ( -5.463 -0.274 0.000) 5.470 5.328 ( -4.306 -3.453 0.000) 5.519 5.417 ( 1.136 -0.075 0.000) 1.138 5.797 ( 2.227 -0.719 0.000) 2.340 6.321 ( 12.628 0.536 0.000) 12.639 6.840 ( 2.504 1.457 0.000) 2.897 6.875 ( 0.025 -1.640 0.000) 1.640 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -1.940 9.387 0.000) 9.586 0.837 ( -15.364 3.465 0.000) 15.750 1.029 ( -6.945 -1.696 0.000) 7.150 1.056 ( 0.843 -3.552 0.000) 3.651 1.295 ( -12.787 -7.643 0.000) 14.897 1.477 ( -4.697 0.489 0.000) 4.722 1.590 ( -2.026 -0.567 0.000) 2.104 1.715 ( -10.507 5.733 0.000) 11.969 1.822 ( -0.516 1.602 0.000) 1.683 1.870 ( -10.970 -1.074 0.000) 11.022 1.914 ( -6.260 -3.682 0.000) 7.262 2.116 ( 0.708 -1.143 0.000) 1.345 2.209 ( -1.876 1.101 0.000) 2.175 2.448 ( -2.243 0.042 0.000) 2.244 2.542 ( -6.602 0.766 0.000) 6.646 2.679 ( 0.290 -0.560 0.000) 0.630 2.684 ( -13.075 -0.266 0.000) 13.078 3.226 ( 1.778 0.869 0.000) 1.979 3.880 ( -4.317 0.213 0.000) 4.322 3.955 ( -9.231 0.091 0.000) 9.231 4.109 ( -8.379 1.752 0.000) 8.561 4.289 ( 4.499 0.174 0.000) 4.502 4.320 ( -0.077 -0.108 0.000) 0.132 4.386 ( -9.336 -2.809 0.000) 9.750 4.549 ( -0.907 -1.250 0.000) 1.544 4.673 ( 5.410 -0.263 0.000) 5.417 4.873 ( 3.862 0.488 0.000) 3.892 4.881 ( 1.843 0.073 0.000) 1.844 5.031 ( -0.256 0.771 0.000) 0.812 5.079 ( -4.476 -0.585 0.000) 4.514 5.208 ( -10.193 -7.773 0.000) 12.819 5.443 ( 1.474 -0.192 0.000) 1.487 5.859 ( 3.749 -0.185 0.000) 3.754 6.554 ( 12.271 1.063 0.000) 12.317 6.839 ( -0.792 -0.303 0.000) 0.848 6.924 ( 3.211 0.059 0.000) 3.212 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -15.531 3.597 0.000) 15.942 0.723 ( -3.797 14.354 0.000) 14.848 0.935 ( -3.940 -1.924 0.000) 4.385 1.056 ( -10.398 4.899 0.000) 11.494 1.116 ( 3.169 -4.378 0.000) 5.404 1.407 ( -2.543 1.392 0.000) 2.899 1.536 ( -4.660 -1.763 0.000) 4.982 1.556 ( -3.622 1.752 0.000) 4.024 1.608 ( -11.859 -0.425 0.000) 11.867 1.858 ( 1.136 1.298 0.000) 1.725 1.878 ( 0.026 -6.409 0.000) 6.409 2.143 ( 1.343 -1.020 0.000) 1.686 2.250 ( 6.157 -1.887 0.000) 6.440 2.423 ( -5.033 0.860 0.000) 5.106 2.436 ( 0.245 0.090 0.000) 0.261 2.464 ( -9.505 -0.412 0.000) 9.513 2.687 ( 0.177 -0.908 0.000) 0.925 3.269 ( 2.780 0.851 0.000) 2.907 3.791 ( -7.059 0.114 0.000) 7.060 3.802 ( -3.334 0.156 0.000) 3.338 3.935 ( -8.299 1.079 0.000) 8.369 4.094 ( -23.559 -7.976 0.000) 24.873 4.326 ( 0.467 0.076 0.000) 0.474 4.357 ( 2.524 0.192 0.000) 2.531 4.590 ( 3.546 0.285 0.000) 3.557 4.724 ( 0.398 0.090 0.000) 0.408 4.891 ( -6.873 0.465 0.000) 6.888 4.911 ( 1.250 0.146 0.000) 1.259 4.926 ( -3.517 -0.450 0.000) 3.546 5.073 ( 1.094 0.675 0.000) 1.285 5.121 ( -1.249 -6.390 0.000) 6.511 5.470 ( 1.075 -0.304 0.000) 1.117 5.922 ( 2.587 0.277 0.000) 2.602 6.757 ( 9.099 0.952 0.000) 9.149 6.830 ( -0.506 -1.133 0.000) 1.240 6.973 ( 2.023 0.868 0.000) 2.201 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 0.000 5.455 0.000) 5.455 0.592 ( 0.000 11.931 0.000) 11.931 0.899 ( 0.000 18.738 0.000) 18.738 0.905 ( -0.000 -1.722 0.000) 1.722 1.188 ( -0.000 -6.205 0.000) 6.205 1.372 ( 0.000 1.322 0.000) 1.322 1.477 ( 0.000 0.041 0.000) 0.041 1.498 ( -0.000 -4.760 0.000) 4.760 1.518 ( 0.000 3.056 0.000) 3.056 1.862 ( 0.000 1.773 0.000) 1.773 1.933 ( -0.000 -8.255 0.000) 8.255 2.166 ( -0.000 -1.448 0.000) 1.448 2.359 ( -0.000 -0.001 0.000) 0.001 2.359 ( 0.000 0.211 0.000) 0.211 2.411 ( -0.000 -6.957 0.000) 6.957 2.440 ( 0.000 0.084 0.000) 0.084 2.694 ( -0.000 -1.107 0.000) 1.107 3.298 ( 0.000 0.669 0.000) 0.669 3.719 ( 0.000 0.143 0.000) 0.143 3.739 ( 0.000 0.262 0.000) 0.262 3.768 ( 0.000 0.108 0.000) 0.108 3.862 ( 0.000 0.170 0.000) 0.170 4.330 ( 0.000 0.126 0.000) 0.126 4.380 ( 0.000 0.238 0.000) 0.238 4.641 ( 0.000 1.336 0.000) 1.336 4.718 ( 0.000 0.145 0.000) 0.145 4.766 ( 0.000 0.135 0.000) 0.135 4.913 ( 0.000 0.129 0.000) 0.129 4.923 ( 0.000 0.197 0.000) 0.197 5.077 ( 0.000 1.239 0.000) 1.239 5.150 ( -0.000 -4.711 0.000) 4.711 5.482 ( -0.000 -0.362 0.000) 0.362 5.946 ( 0.000 0.466 0.000) 0.466 6.832 ( -0.000 -1.572 0.000) 1.572 6.851 ( 0.000 0.016 0.000) 0.016 6.987 ( 0.000 1.285 0.000) 1.285 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -5.035 -0.000 0.000) 5.035 1.004 ( 0.599 0.000 0.000) 0.599 1.096 ( -6.777 -0.000 0.000) 6.777 1.212 ( -13.826 -0.000 0.000) 13.826 1.392 ( -5.729 -0.000 0.000) 5.729 1.596 ( -7.336 -0.000 0.000) 7.336 1.598 ( -0.292 -0.000 0.000) 0.292 1.796 ( 1.867 0.000 0.000) 1.867 1.984 ( -9.715 -0.000 0.000) 9.715 2.048 ( -9.321 -0.000 0.000) 9.321 2.052 ( -5.697 -0.000 0.000) 5.697 2.099 ( -0.225 -0.000 0.000) 0.225 2.335 ( -9.871 -0.000 0.000) 9.871 2.561 ( -10.432 -0.000 0.000) 10.432 2.666 ( -5.670 -0.000 0.000) 5.670 2.668 ( 0.625 0.000 0.000) 0.625 2.920 ( -11.313 -0.000 0.000) 11.313 3.217 ( 0.135 0.000 0.000) 0.135 3.941 ( -1.222 -0.000 0.000) 1.222 4.100 ( -5.230 -0.000 0.000) 5.230 4.206 ( 3.609 0.000 0.000) 3.609 4.245 ( -4.691 -0.000 0.000) 4.691 4.346 ( -3.091 -0.000 0.000) 3.091 4.440 ( -0.676 -0.000 0.000) 0.676 4.501 ( 11.078 0.000 0.000) 11.078 4.641 ( -6.470 -0.000 0.000) 6.470 4.818 ( 1.489 0.000 0.000) 1.489 4.848 ( 1.593 0.000 0.000) 1.593 5.020 ( 0.491 0.000 0.000) 0.491 5.178 ( -5.488 -0.000 0.000) 5.488 5.311 ( -4.955 -0.000 0.000) 4.955 5.417 ( 1.119 0.000 0.000) 1.119 5.793 ( 2.416 0.000 0.000) 2.416 6.324 ( 12.686 0.000 0.000) 12.686 6.851 ( 3.941 0.000 0.000) 3.941 6.862 ( -1.412 -0.000 0.000) 1.412 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -16.367 1.510 0.000) 16.437 0.900 ( 2.366 5.211 0.000) 5.723 1.017 ( -7.009 -0.700 0.000) 7.044 1.030 ( 1.626 -1.456 0.000) 2.183 1.227 ( -13.135 -4.751 0.000) 13.968 1.481 ( -4.476 0.237 0.000) 4.483 1.585 ( -1.158 -0.335 0.000) 1.205 1.764 ( -11.961 3.500 0.000) 12.462 1.835 ( 1.153 0.918 0.000) 1.474 1.860 ( -12.655 -0.741 0.000) 12.677 1.882 ( -7.243 -2.392 0.000) 7.627 2.108 ( 1.053 -0.433 0.000) 1.139 2.216 ( -2.748 0.341 0.000) 2.769 2.448 ( -2.199 0.016 0.000) 2.199 2.547 ( -6.634 0.260 0.000) 6.639 2.675 ( 0.209 -0.204 0.000) 0.292 2.682 ( -13.129 -0.093 0.000) 13.129 3.232 ( 1.740 0.308 0.000) 1.767 3.881 ( -4.335 0.077 0.000) 4.336 3.956 ( -9.244 0.032 0.000) 9.244 4.122 ( -8.119 0.794 0.000) 8.157 4.290 ( 4.540 0.065 0.000) 4.541 4.320 ( -0.043 -0.040 0.000) 0.059 4.365 ( -12.120 -1.254 0.000) 12.185 4.541 ( -0.255 -0.378 0.000) 0.456 4.671 ( 5.904 -0.104 0.000) 5.905 4.876 ( 4.334 0.214 0.000) 4.339 4.882 ( 1.857 0.026 0.000) 1.857 5.037 ( 0.505 0.449 0.000) 0.676 5.075 ( -4.707 -0.118 0.000) 4.708 5.155 ( -10.824 -2.925 0.000) 11.213 5.442 ( 1.447 -0.070 0.000) 1.449 5.858 ( 3.968 -0.049 0.000) 3.969 6.561 ( 12.270 0.336 0.000) 12.275 6.837 ( -1.173 -0.114 0.000) 1.179 6.924 ( 3.604 0.027 0.000) 3.604 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -15.373 2.000 0.000) 15.503 0.852 ( -7.455 11.675 0.000) 13.852 0.917 ( -3.992 -1.467 0.000) 4.254 1.067 ( -0.832 -2.247 0.000) 2.397 1.084 ( 3.007 -2.153 0.000) 3.699 1.420 ( -2.111 1.044 0.000) 2.355 1.529 ( -7.962 0.394 0.000) 7.971 1.572 ( -2.636 1.327 0.000) 2.951 1.605 ( -11.776 -0.190 0.000) 11.778 1.825 ( -0.654 -4.234 0.000) 4.285 1.867 ( 1.225 0.620 0.000) 1.373 2.135 ( 1.287 -0.617 0.000) 1.427 2.231 ( 3.988 -1.687 0.000) 4.330 2.430 ( -5.090 0.441 0.000) 5.109 2.437 ( 0.244 0.058 0.000) 0.251 2.461 ( -9.499 -0.235 0.000) 9.502 2.680 ( 0.115 -0.519 0.000) 0.532 3.276 ( 2.649 0.468 0.000) 2.690 3.792 ( -7.070 0.064 0.000) 7.070 3.803 ( -3.360 0.087 0.000) 3.361 3.948 ( -9.040 1.480 0.000) 9.161 4.033 ( -21.840 -4.735 0.000) 22.348 4.327 ( 0.498 0.051 0.000) 0.500 4.359 ( 2.539 0.100 0.000) 2.541 4.593 ( 4.130 0.285 0.000) 4.140 4.724 ( 0.382 0.029 0.000) 0.383 4.898 ( -9.226 0.829 0.000) 9.263 4.912 ( 1.270 0.081 0.000) 1.273 4.924 ( -1.616 -0.156 0.000) 1.623 5.067 ( 1.666 -3.150 0.000) 3.563 5.082 ( 0.566 -0.273 0.000) 0.629 5.467 ( 1.055 -0.178 0.000) 1.070 5.924 ( 2.701 0.159 0.000) 2.706 6.763 ( 8.663 0.401 0.000) 8.672 6.822 ( -0.652 -0.602 0.000) 0.887 6.979 ( 2.185 0.457 0.000) 2.232 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.000 3.430 0.000) 3.430 0.692 ( 0.000 8.333 0.000) 8.333 0.887 ( -0.000 -1.895 0.000) 1.895 1.059 ( 0.000 13.538 0.000) 13.538 1.139 ( -0.000 -3.679 0.000) 3.679 1.385 ( 0.000 1.243 0.000) 1.243 1.453 ( -0.000 -4.275 0.000) 4.275 1.478 ( 0.000 0.029 0.000) 0.029 1.546 ( 0.000 2.593 0.000) 2.593 1.860 ( -0.000 -6.556 0.000) 6.556 1.875 ( 0.000 1.002 0.000) 1.002 2.153 ( -0.000 -1.033 0.000) 1.033 2.325 ( -0.000 -5.815 0.000) 5.815 2.361 ( 0.000 0.136 0.000) 0.136 2.379 ( -0.000 -0.231 0.000) 0.231 2.441 ( 0.000 0.076 0.000) 0.076 2.684 ( -0.000 -0.798 0.000) 0.798 3.304 ( 0.000 0.485 0.000) 0.485 3.720 ( 0.000 0.101 0.000) 0.101 3.741 ( 0.000 0.187 0.000) 0.187 3.769 ( 0.000 0.076 0.000) 0.076 3.863 ( 0.000 0.119 0.000) 0.119 4.332 ( 0.000 0.103 0.000) 0.103 4.382 ( 0.000 0.154 0.000) 0.154 4.654 ( 0.000 1.293 0.000) 1.293 4.719 ( 0.000 0.103 0.000) 0.103 4.767 ( 0.000 0.096 0.000) 0.096 4.914 ( 0.000 0.003 0.000) 0.003 4.924 ( 0.000 0.138 0.000) 0.138 5.088 ( 0.000 0.854 0.000) 0.854 5.109 ( -0.000 -3.589 0.000) 3.589 5.479 ( -0.000 -0.270 0.000) 0.270 5.950 ( 0.000 0.329 0.000) 0.329 6.819 ( -0.000 -1.012 0.000) 1.012 6.851 ( 0.000 0.012 0.000) 0.012 6.997 ( 0.000 0.821 0.000) 0.821 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -15.355 -0.000 0.000) 15.355 0.910 ( -4.029 -0.000 0.000) 4.029 0.923 ( -15.101 -0.000 0.000) 15.101 1.042 ( 9.062 0.000 0.000) 9.062 1.074 ( 2.982 0.000 0.000) 2.982 1.425 ( -1.828 -0.000 0.000) 1.828 1.534 ( -9.128 -0.000 0.000) 9.128 1.579 ( -2.654 -0.000 0.000) 2.654 1.604 ( -11.747 -0.000 0.000) 11.747 1.803 ( -0.827 -0.000 0.000) 0.827 1.870 ( 1.251 0.000 0.000) 1.251 2.132 ( 1.276 0.000 0.000) 1.276 2.222 ( 3.060 0.000 0.000) 3.060 2.432 ( -5.073 -0.000 0.000) 5.073 2.437 ( 0.245 0.000 0.000) 0.245 2.459 ( -9.522 -0.000 0.000) 9.522 2.677 ( 0.092 0.000 0.000) 0.092 3.278 ( 2.603 0.000 0.000) 2.603 3.792 ( -7.075 -0.000 0.000) 7.075 3.804 ( -3.368 -0.000 0.000) 3.368 3.958 ( -8.517 -0.000 0.000) 8.517 4.007 ( -21.881 -0.000 0.000) 21.881 4.327 ( 0.508 0.000 0.000) 0.508 4.359 ( 2.544 0.000 0.000) 2.544 4.594 ( 4.338 0.000 0.000) 4.338 4.724 ( 0.378 0.000 0.000) 0.378 4.903 ( -10.892 -0.000 0.000) 10.892 4.913 ( 1.278 0.000 0.000) 1.278 4.923 ( -0.433 -0.000 0.000) 0.433 5.049 ( 2.225 0.000 0.000) 2.225 5.083 ( 1.039 0.000 0.000) 1.039 5.466 ( 1.047 0.000 0.000) 1.047 5.925 ( 2.740 0.000 0.000) 2.740 6.765 ( 8.527 0.000 0.000) 8.527 6.819 ( -0.700 -0.000 0.000) 0.700 6.982 ( 2.240 0.000 0.000) 2.240 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 0.000 1.164 0.000) 1.164 0.749 ( 0.000 3.077 0.000) 3.077 0.873 ( -0.000 -0.850 0.000) 0.850 1.116 ( -0.000 -1.163 0.000) 1.163 1.153 ( 0.000 5.186 0.000) 5.186 1.397 ( 0.000 1.474 0.000) 1.474 1.418 ( -0.000 -2.747 0.000) 2.747 1.478 ( 0.000 0.010 0.000) 0.010 1.565 ( 0.000 1.078 0.000) 1.078 1.813 ( -0.000 -2.696 0.000) 2.696 1.881 ( 0.000 0.319 0.000) 0.319 2.146 ( -0.000 -0.375 0.000) 0.375 2.281 ( -0.000 -2.551 0.000) 2.551 2.362 ( 0.000 0.046 0.000) 0.046 2.380 ( 0.000 0.081 0.000) 0.081 2.441 ( 0.000 0.031 0.000) 0.031 2.679 ( -0.000 -0.291 0.000) 0.291 3.307 ( 0.000 0.177 0.000) 0.177 3.721 ( 0.000 0.037 0.000) 0.037 3.742 ( 0.000 0.068 0.000) 0.068 3.770 ( 0.000 0.028 0.000) 0.028 3.864 ( 0.000 0.043 0.000) 0.043 4.332 ( 0.000 0.040 0.000) 0.040 4.383 ( 0.000 0.053 0.000) 0.053 4.664 ( 0.000 0.563 0.000) 0.563 4.720 ( 0.000 0.037 0.000) 0.037 4.768 ( 0.000 0.034 0.000) 0.034 4.913 ( -0.000 -0.035 0.000) 0.035 4.925 ( 0.000 0.049 0.000) 0.049 5.084 ( -0.000 -1.350 0.000) 1.350 5.094 ( 0.000 0.299 0.000) 0.299 5.477 ( -0.000 -0.100 0.000) 0.100 5.952 ( 0.000 0.118 0.000) 0.118 6.813 ( -0.000 -0.349 0.000) 0.349 6.851 ( 0.000 0.004 0.000) 0.004 7.003 ( 0.000 0.283 0.000) 0.283 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.196 ( 0.000 0.000 11.269) 11.269 0.371 ( 0.000 0.000 19.471) 19.471 0.616 ( 0.000 0.000 23.950) 23.950 0.934 ( 0.000 0.000 2.405) 2.405 1.229 ( 0.000 0.000 -9.605) 9.605 1.395 ( 0.000 0.000 -2.477) 2.477 1.458 ( 0.000 0.000 3.092) 3.092 1.524 ( 0.000 0.000 3.167) 3.167 1.606 ( 0.000 0.000 -0.352) 0.352 1.870 ( 0.000 0.000 4.636) 4.636 2.118 ( 0.000 0.000 -2.593) 2.593 2.219 ( 0.000 0.000 1.167) 1.167 2.230 ( 0.000 0.000 0.670) 0.670 2.256 ( 0.000 0.000 -4.136) 4.136 2.335 ( 0.000 0.000 -1.676) 1.676 2.393 ( 0.000 0.000 -5.040) 5.040 2.968 ( 0.000 0.000 0.082) 0.082 3.189 ( 0.000 0.000 -7.765) 7.765 3.717 ( 0.000 0.000 0.222) 0.222 3.729 ( 0.000 0.000 -0.145) 0.145 3.777 ( 0.000 0.000 1.142) 1.142 3.850 ( 0.000 0.000 -0.741) 0.741 4.339 ( 0.000 0.000 1.236) 1.236 4.528 ( 0.000 0.000 -5.314) 5.314 4.718 ( 0.000 0.000 0.422) 0.422 4.752 ( 0.000 0.000 5.861) 5.861 4.757 ( 0.000 0.000 -0.539) 0.539 4.918 ( 0.000 0.000 1.670) 1.670 5.034 ( 0.000 0.000 -0.651) 0.651 5.045 ( 0.000 0.000 -3.201) 3.201 5.536 ( 0.000 0.000 4.184) 4.184 5.796 ( 0.000 0.000 -3.308) 3.308 5.988 ( 0.000 0.000 5.437) 5.437 6.489 ( 0.000 0.000 -8.728) 8.728 6.977 ( 0.000 0.000 5.069) 5.069 7.188 ( 0.000 0.000 -1.632) 1.632 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 14.637 -1.745 6.493) 16.107 0.528 ( 12.646 -2.810 12.359) 17.905 0.818 ( 15.837 -2.210 8.126) 17.937 1.016 ( 10.642 -0.490 11.286) 15.520 1.230 ( -0.847 0.137 -7.533) 7.582 1.395 ( 2.732 1.229 -0.228) 3.004 1.474 ( 1.493 -1.037 1.895) 2.626 1.645 ( 10.543 0.525 -0.491) 10.568 1.654 ( 4.759 0.942 -0.520) 4.879 1.839 ( -1.512 -0.170 5.922) 6.115 2.098 ( -1.974 1.774 -1.893) 3.260 2.158 ( -2.572 0.487 -1.606) 3.071 2.172 ( -3.148 -1.097 -0.723) 3.411 2.360 ( 6.848 -0.465 -1.057) 6.945 2.392 ( 0.353 -0.118 -4.289) 4.305 2.462 ( 10.013 0.119 -1.771) 10.169 2.817 ( -5.918 0.112 6.406) 8.722 3.151 ( -3.398 -0.525 -7.826) 8.548 3.789 ( 7.024 -0.047 0.270) 7.029 3.803 ( 3.255 -0.055 0.665) 3.322 3.907 ( 5.613 0.004 -1.150) 5.729 4.059 ( 15.387 0.501 -15.403) 21.777 4.337 ( -0.194 -0.030 1.246) 1.262 4.482 ( -4.537 0.022 -2.792) 5.328 4.666 ( -1.228 1.104 3.054) 3.472 4.714 ( -1.152 -0.272 0.221) 1.204 4.869 ( 3.462 0.721 -0.668) 3.599 4.908 ( -1.386 -0.708 1.163) 1.943 5.021 ( -0.603 1.069 -0.858) 1.498 5.044 ( 0.317 -0.633 -2.199) 2.310 5.524 ( -0.809 0.827 4.367) 4.517 5.782 ( 0.028 8.078 -1.700) 8.255 5.964 ( -1.801 -0.069 4.989) 5.305 6.459 ( -4.095 -2.503 -8.725) 9.958 6.969 ( -0.767 -0.026 4.251) 4.320 7.040 ( -8.442 1.174 6.645) 10.808 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 17.232 1.248 4.216) 17.784 0.785 ( 12.042 -2.168 5.865) 13.568 1.072 ( 11.434 -1.103 -0.901) 11.523 1.195 ( -1.739 1.268 -3.162) 3.825 1.362 ( 20.942 -3.279 14.846) 25.879 1.480 ( 5.658 1.907 -0.687) 6.010 1.536 ( 4.587 -3.098 -1.286) 5.682 1.755 ( 6.589 4.098 0.445) 7.772 1.828 ( 0.296 0.270 5.357) 5.372 1.854 ( 10.375 1.221 -3.810) 11.120 2.043 ( -2.468 -0.130 -0.685) 2.565 2.118 ( -1.715 -0.752 -0.479) 1.933 2.154 ( 1.181 -0.026 -0.780) 1.415 2.414 ( 3.500 0.120 -4.151) 5.431 2.505 ( 7.366 -0.671 1.653) 7.579 2.672 ( 10.545 0.243 -2.338) 10.804 2.757 ( -0.370 0.038 4.144) 4.161 3.098 ( -2.006 -0.996 -7.868) 8.180 3.880 ( 4.391 -0.199 1.114) 4.535 3.949 ( 8.955 -0.210 -0.120) 8.958 4.037 ( 7.432 -0.261 -1.822) 7.657 4.222 ( 3.487 0.056 -7.019) 7.837 4.335 ( 0.003 0.093 0.742) 0.748 4.388 ( -4.381 0.112 -3.832) 5.821 4.640 ( -4.946 0.992 0.579) 5.077 4.677 ( 0.275 0.004 -0.368) 0.460 4.866 ( -2.110 0.061 0.887) 2.290 4.897 ( -0.352 -0.208 1.109) 1.182 5.011 ( 0.061 0.024 -0.120) 0.137 5.086 ( 3.794 0.146 -2.199) 4.388 5.502 ( -1.062 0.692 4.784) 4.949 5.713 ( -3.587 5.962 1.677) 7.157 5.932 ( -1.346 1.430 2.033) 2.827 6.358 ( -7.713 -2.311 -7.342) 10.896 6.917 ( -4.814 0.369 5.128) 7.043 6.952 ( -0.827 0.327 2.424) 2.582 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 6.071 -0.841 2.259) 6.532 1.008 ( 16.738 3.520 2.847) 17.340 1.159 ( -0.618 1.320 -1.441) 2.050 1.304 ( 12.111 -0.510 3.401) 12.590 1.577 ( 6.049 1.238 -0.665) 6.210 1.656 ( 6.499 -1.514 0.440) 6.687 1.697 ( 9.745 -4.066 3.214) 11.038 1.791 ( -0.301 4.421 1.552) 4.696 1.853 ( 1.708 5.277 2.947) 6.280 1.976 ( 3.606 1.019 -4.252) 5.667 2.060 ( 2.423 -3.492 0.878) 4.341 2.167 ( 9.587 -4.260 2.308) 10.742 2.192 ( 1.840 0.238 1.265) 2.245 2.554 ( 11.003 -0.108 -2.142) 11.210 2.634 ( 6.067 -0.528 1.293) 6.226 2.697 ( -2.046 0.264 0.905) 2.252 2.913 ( 10.403 0.019 -0.944) 10.446 3.095 ( 0.950 -1.198 -7.146) 7.308 3.946 ( 1.650 -0.301 1.689) 2.381 4.097 ( 5.982 -0.308 0.041) 5.990 4.164 ( 5.052 -0.474 -3.153) 5.974 4.212 ( -2.809 -0.087 1.047) 2.999 4.333 ( -0.661 0.278 -2.129) 2.246 4.361 ( 1.470 0.041 -7.233) 7.381 4.517 ( -5.357 -0.121 4.026) 6.702 4.697 ( 1.391 0.846 -1.749) 2.389 4.834 ( -1.010 0.210 0.684) 1.238 4.880 ( -1.173 -0.028 1.725) 2.086 5.027 ( 1.432 -0.038 0.981) 1.736 5.164 ( 4.135 0.233 -2.968) 5.096 5.481 ( -0.806 0.576 5.163) 5.257 5.598 ( -5.989 3.241 3.999) 7.897 5.896 ( -1.465 2.522 -0.406) 2.945 6.201 ( -9.785 -1.754 -5.603) 11.412 6.839 ( -3.538 -0.044 3.645) 5.080 6.938 ( -0.467 0.769 0.678) 1.127 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 1.060 0.357 1.439) 1.822 1.144 ( -0.762 -0.506 -1.382) 1.658 1.281 ( 13.457 5.461 2.939) 14.818 1.513 ( 9.323 0.977 3.381) 9.965 1.682 ( 2.868 1.728 1.770) 3.787 1.715 ( -2.181 6.459 -0.513) 6.837 1.743 ( 3.416 2.756 -0.190) 4.393 1.817 ( 4.472 -1.926 1.672) 5.148 1.913 ( 4.897 -4.438 1.474) 6.771 2.023 ( 1.737 -1.242 -2.485) 3.276 2.103 ( 1.446 -2.636 1.480) 3.351 2.205 ( -0.480 -0.811 1.816) 2.046 2.469 ( 15.277 -2.491 2.851) 15.739 2.658 ( -0.790 -0.093 0.547) 0.966 2.702 ( 3.726 -0.852 -2.044) 4.334 2.821 ( 13.186 0.363 -0.783) 13.215 3.064 ( 5.130 -0.424 -0.752) 5.202 3.125 ( 1.060 -0.854 -5.233) 5.407 3.924 ( -3.630 -0.176 2.003) 4.150 4.165 ( -4.162 -0.321 -3.383) 5.373 4.183 ( 1.949 -0.220 -0.866) 2.144 4.188 ( 0.628 -0.019 0.713) 0.950 4.327 ( 1.945 0.393 -1.386) 2.420 4.419 ( 4.572 0.019 -5.394) 7.071 4.492 ( 1.280 0.040 5.455) 5.604 4.722 ( 1.686 0.441 -1.952) 2.617 4.833 ( 1.122 0.434 0.057) 1.204 4.864 ( -0.346 0.078 1.733) 1.769 5.049 ( 0.503 0.082 2.067) 2.129 5.231 ( 3.136 0.242 -3.833) 4.959 5.456 ( -4.559 1.620 5.132) 7.053 5.477 ( -2.371 0.324 5.418) 5.923 5.853 ( -1.807 2.517 -2.044) 3.712 6.017 ( -10.220 -1.247 -4.161) 11.105 6.782 ( -2.594 -0.213 3.178) 4.108 6.927 ( -0.242 0.901 -0.606) 1.113 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 0.009 -0.048 1.186) 1.187 1.119 ( -2.114 -0.651 -0.969) 2.415 1.428 ( 3.678 6.188 3.206) 7.880 1.627 ( 2.905 2.031 2.361) 4.259 1.647 ( 0.929 3.529 0.314) 3.663 1.662 ( -0.315 2.653 -0.283) 2.686 1.875 ( 7.446 -0.103 4.709) 8.811 1.906 ( 3.719 0.009 1.661) 4.073 1.998 ( 1.337 -2.161 -0.853) 2.680 2.062 ( 1.668 -2.391 0.993) 3.080 2.160 ( 2.948 -2.262 1.452) 3.990 2.201 ( 0.286 -2.785 1.021) 2.980 2.552 ( -2.652 0.195 -4.549) 5.269 2.757 ( 2.051 -0.457 -4.926) 5.355 2.813 ( 12.110 -0.740 4.318) 12.878 3.037 ( 9.032 0.328 -0.887) 9.081 3.103 ( -1.150 -0.834 -0.287) 1.449 3.138 ( 0.145 -0.693 -2.762) 2.852 3.849 ( -3.595 0.007 1.768) 4.006 4.054 ( -5.374 -0.430 -4.119) 6.785 4.206 ( 1.064 0.115 0.806) 1.340 4.249 ( 4.135 0.247 1.304) 4.343 4.367 ( 1.913 0.548 -0.629) 2.088 4.506 ( -0.192 0.021 4.197) 4.201 4.526 ( 6.217 0.058 -4.821) 7.868 4.751 ( 1.016 0.051 -2.511) 2.709 4.864 ( 2.133 0.436 0.805) 2.321 4.879 ( 2.224 0.140 0.258) 2.244 5.040 ( -1.293 0.031 3.981) 4.186 5.282 ( 2.436 0.244 -4.950) 5.522 5.332 ( -6.260 0.663 6.392) 8.971 5.478 ( 1.224 0.094 4.571) 4.733 5.799 ( -4.210 1.084 -2.501) 5.015 5.843 ( -7.161 -0.110 -3.368) 7.914 6.744 ( -1.590 -0.198 3.143) 3.528 6.919 ( -0.173 0.699 -1.387) 1.563 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.251 -0.440 0.798) 0.945 1.082 ( -1.521 0.013 -0.508) 1.604 1.401 ( -1.413 2.539 3.522) 4.566 1.622 ( -0.582 0.703 -1.564) 1.811 1.682 ( 2.707 2.274 0.958) 3.663 1.686 ( 1.115 0.277 3.238) 3.436 1.940 ( 1.042 0.269 0.602) 1.233 1.984 ( 1.734 -0.503 3.552) 3.985 2.007 ( 0.842 -0.366 3.217) 3.345 2.079 ( -0.324 -0.477 3.871) 3.914 2.224 ( 2.394 -1.503 0.534) 2.877 2.245 ( 1.482 -1.461 -0.196) 2.090 2.502 ( -1.779 0.086 -7.022) 7.244 2.784 ( 0.669 -0.128 -6.762) 6.796 2.987 ( 6.005 1.233 2.897) 6.780 3.061 ( -2.546 -1.127 -0.187) 2.790 3.128 ( -0.629 -0.540 -1.517) 1.729 3.156 ( 2.723 -0.055 0.156) 2.728 3.802 ( -1.273 0.033 1.597) 2.043 3.987 ( -1.788 -0.190 -3.615) 4.037 4.220 ( 0.362 0.067 0.953) 1.021 4.321 ( 2.647 0.305 -0.869) 2.802 4.400 ( 2.367 0.211 1.845) 3.008 4.472 ( -2.919 -0.099 4.382) 5.266 4.643 ( 5.461 0.145 -5.913) 8.050 4.738 ( -2.450 -0.117 -3.296) 4.108 4.913 ( 2.070 0.129 0.111) 2.077 4.919 ( 1.807 0.138 -0.059) 1.813 5.014 ( -0.984 -0.034 6.422) 6.497 5.231 ( -3.553 0.138 7.696) 8.478 5.317 ( 1.113 0.124 -5.660) 5.770 5.531 ( 4.733 0.165 2.536) 5.372 5.655 ( -8.088 -0.402 -0.453) 8.110 5.790 ( -0.782 0.600 -3.991) 4.111 6.725 ( -0.535 -0.078 3.190) 3.235 6.914 ( -0.076 0.262 -1.749) 1.770 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 17.874 0.000 3.854) 18.285 0.773 ( 12.597 0.000 6.066) 13.981 1.065 ( 11.976 0.000 -1.019) 12.019 1.202 ( -1.864 -0.000 -3.804) 4.236 1.346 ( 20.728 0.000 15.352) 25.794 1.497 ( 6.943 0.000 -0.695) 6.977 1.513 ( 3.164 0.000 -1.483) 3.494 1.776 ( 7.523 0.000 0.705) 7.555 1.830 ( 1.033 0.000 6.119) 6.206 1.860 ( 10.434 0.000 -3.880) 11.132 2.040 ( -4.397 -0.000 -1.082) 4.528 2.115 ( -2.012 -0.000 -0.309) 2.036 2.154 ( 1.508 0.000 -1.103) 1.868 2.415 ( 3.494 0.000 -4.092) 5.381 2.502 ( 7.419 0.000 1.804) 7.635 2.673 ( 10.570 0.000 -2.351) 10.829 2.757 ( -0.399 -0.000 4.002) 4.022 3.093 ( -1.993 -0.000 -7.997) 8.242 3.879 ( 4.373 0.000 1.088) 4.507 3.948 ( 8.924 0.000 -0.186) 8.926 4.036 ( 7.391 0.000 -1.757) 7.597 4.222 ( 3.351 0.000 -7.011) 7.771 4.335 ( 0.046 0.000 0.760) 0.762 4.389 ( -4.376 -0.000 -3.949) 5.895 4.644 ( -6.221 -0.000 0.423) 6.236 4.677 ( 1.391 0.000 -0.393) 1.446 4.867 ( -2.220 -0.000 0.958) 2.418 4.896 ( -0.180 -0.000 1.096) 1.111 5.011 ( -0.049 -0.000 -0.056) 0.074 5.086 ( 3.836 0.000 -2.319) 4.482 5.505 ( -1.191 -0.000 4.932) 5.074 5.742 ( -5.234 -0.000 1.199) 5.370 5.941 ( -0.974 -0.000 0.734) 1.220 6.346 ( -7.322 -0.000 -6.699) 9.924 6.919 ( -5.006 -0.000 5.285) 7.280 6.954 ( -0.730 -0.000 2.504) 2.608 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 6.694 -0.310 2.390) 7.114 1.035 ( 17.199 1.612 2.555) 17.463 1.168 ( -1.284 0.478 -1.550) 2.069 1.300 ( 12.619 -0.350 3.154) 13.012 1.589 ( 5.546 1.005 -1.536) 5.842 1.640 ( 7.418 -1.346 -0.362) 7.548 1.668 ( 11.382 -1.640 5.376) 12.694 1.813 ( -0.669 0.842 3.211) 3.386 1.921 ( -1.946 6.913 0.628) 7.209 1.985 ( 3.286 0.680 -4.538) 5.644 2.013 ( 5.366 -5.674 1.529) 7.958 2.139 ( 8.678 -1.369 2.199) 9.057 2.193 ( 1.613 0.058 1.485) 2.193 2.553 ( 10.723 -0.061 -2.227) 10.952 2.630 ( 6.403 -0.191 1.516) 6.583 2.699 ( -2.075 0.094 0.891) 2.260 2.914 ( 10.340 0.018 -1.040) 10.392 3.087 ( 1.075 -0.447 -7.278) 7.371 3.944 ( 1.677 -0.109 1.633) 2.343 4.094 ( 6.051 -0.115 -0.128) 6.053 4.161 ( 5.056 -0.156 -3.018) 5.890 4.212 ( -2.758 -0.032 1.042) 2.948 4.335 ( -0.661 0.103 -2.119) 2.222 4.361 ( 1.412 0.011 -7.352) 7.486 4.517 ( -5.345 -0.033 4.111) 6.743 4.702 ( 1.226 0.289 -1.807) 2.202 4.836 ( -0.926 0.076 0.692) 1.158 4.880 ( -1.131 -0.011 1.773) 2.103 5.027 ( 1.481 -0.011 0.981) 1.777 5.165 ( 4.117 0.074 -3.034) 5.115 5.485 ( -0.885 0.197 5.382) 5.458 5.619 ( -7.114 1.081 3.910) 8.190 5.915 ( -1.484 1.168 -1.701) 2.541 6.187 ( -9.470 -0.777 -5.195) 10.829 6.839 ( -3.627 0.001 3.915) 5.336 6.943 ( -0.439 0.270 0.682) 0.855 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 1.216 0.239 1.341) 1.826 1.139 ( -1.214 -0.341 -1.319) 1.825 1.327 ( 13.867 3.660 2.606) 14.577 1.519 ( 9.802 0.318 4.564) 10.817 1.694 ( 4.292 0.677 0.883) 4.434 1.758 ( 2.431 2.584 -0.284) 3.559 1.781 ( -1.865 3.308 -0.312) 3.810 1.802 ( 3.717 0.121 0.312) 3.732 1.873 ( 4.294 -3.692 2.158) 6.060 2.016 ( 1.047 -0.089 -3.045) 3.222 2.076 ( 1.544 -2.698 1.511) 3.456 2.198 ( -1.094 -0.587 2.669) 2.944 2.449 ( 16.832 -1.450 3.425) 17.238 2.658 ( -1.295 -0.019 0.403) 1.356 2.695 ( 3.935 -0.504 -1.939) 4.416 2.824 ( 13.125 0.206 -0.852) 13.154 3.061 ( 4.861 -0.239 -0.802) 4.932 3.119 ( 1.389 -0.478 -5.333) 5.531 3.922 ( -3.530 -0.101 1.968) 4.043 4.162 ( -4.808 -0.215 -4.038) 6.282 4.181 ( 2.925 -0.090 -0.229) 2.936 4.188 ( 0.540 -0.005 0.801) 0.966 4.330 ( 2.020 0.222 -1.423) 2.481 4.419 ( 4.593 0.009 -5.412) 7.098 4.492 ( 1.295 0.034 5.447) 5.599 4.725 ( 1.474 0.242 -1.967) 2.470 4.836 ( 1.183 0.272 0.019) 1.214 4.864 ( -0.361 0.011 1.879) 1.913 5.050 ( 0.515 0.043 1.985) 2.051 5.233 ( 3.124 0.129 -3.851) 4.961 5.468 ( -3.016 0.952 5.233) 6.115 5.479 ( -4.668 0.080 5.459) 7.183 5.874 ( -2.072 1.760 -2.961) 4.019 6.006 ( -10.037 -0.980 -3.896) 10.811 6.781 ( -2.599 -0.092 3.473) 4.339 6.934 ( -0.329 0.489 -0.628) 0.861 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.345 -0.007 1.093) 1.147 1.113 ( -1.809 -0.454 -0.918) 2.079 1.484 ( 3.062 4.922 2.735) 6.410 1.640 ( 2.967 0.977 3.803) 4.921 1.677 ( -1.079 2.246 0.217) 2.501 1.691 ( -0.908 3.176 -0.310) 3.318 1.873 ( 7.266 -0.257 3.612) 8.118 1.908 ( 4.315 0.532 0.899) 4.440 1.973 ( 2.600 -2.851 0.052) 3.859 2.042 ( 1.807 -1.624 -0.048) 2.430 2.140 ( 3.920 -1.910 1.384) 4.575 2.177 ( -0.585 -1.923 2.216) 2.992 2.554 ( -2.639 0.137 -4.350) 5.090 2.753 ( 2.237 -0.336 -4.747) 5.259 2.807 ( 13.060 -0.537 4.330) 13.769 3.040 ( 9.063 0.227 -0.891) 9.110 3.097 ( -0.992 -0.455 -0.007) 1.091 3.131 ( -0.200 -0.598 -3.216) 3.278 3.849 ( -3.544 0.003 1.764) 3.959 4.050 ( -5.303 -0.311 -3.961) 6.626 4.207 ( 1.070 0.084 0.817) 1.348 4.252 ( 4.251 0.170 1.360) 4.466 4.371 ( 1.849 0.387 -0.773) 2.041 4.506 ( -0.340 0.044 4.323) 4.337 4.527 ( 6.359 0.025 -4.949) 8.058 4.752 ( 0.875 0.034 -2.497) 2.646 4.868 ( 2.025 0.479 0.955) 2.289 4.879 ( 2.263 -0.081 0.211) 2.274 5.040 ( -1.345 0.022 3.877) 4.104 5.284 ( 2.415 0.170 -4.942) 5.503 5.337 ( -6.639 0.455 6.412) 9.242 5.479 ( 1.203 0.063 4.652) 4.805 5.809 ( -6.753 0.830 -2.487) 7.244 5.841 ( -4.923 -0.119 -3.751) 6.190 6.742 ( -1.547 -0.120 3.371) 3.711 6.925 ( -0.356 0.481 -1.408) 1.529 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 0.528 -0.238 0.771) 0.965 1.081 ( -1.471 -0.124 -0.543) 1.573 1.428 ( -3.528 2.939 3.316) 5.664 1.627 ( -1.448 0.243 -1.059) 1.811 1.687 ( 0.241 -0.028 3.439) 3.448 1.703 ( 1.113 1.975 0.605) 2.347 1.943 ( 0.776 0.252 0.363) 0.892 1.979 ( 1.615 -0.539 1.897) 2.549 2.002 ( 1.708 -0.657 4.794) 5.132 2.073 ( 0.197 -0.697 3.846) 3.913 2.211 ( 3.665 -0.995 0.628) 3.850 2.233 ( 3.046 -0.958 -0.037) 3.193 2.503 ( -1.856 0.065 -6.930) 7.175 2.783 ( 0.801 -0.115 -6.662) 6.711 2.999 ( 6.898 1.307 2.760) 7.543 3.052 ( -3.009 -0.666 0.386) 3.106 3.120 ( -0.695 -1.128 -1.989) 2.390 3.156 ( 2.897 0.067 0.070) 2.898 3.802 ( -1.298 0.025 1.600) 2.060 3.986 ( -1.617 -0.165 -3.534) 3.890 4.220 ( 0.304 0.056 0.962) 1.011 4.324 ( 2.475 0.260 -0.862) 2.633 4.402 ( 2.193 0.176 1.829) 2.861 4.471 ( -2.932 -0.068 4.334) 5.233 4.644 ( 5.448 0.115 -5.890) 8.024 4.737 ( -2.470 -0.108 -3.292) 4.117 4.914 ( 1.817 0.179 0.075) 1.828 4.920 ( 1.832 0.050 -0.002) 1.833 5.014 ( -0.977 -0.037 6.397) 6.471 5.232 ( -3.713 0.111 7.706) 8.554 5.318 ( 1.004 0.096 -5.633) 5.723 5.532 ( 4.823 0.138 2.487) 5.428 5.651 ( -7.993 -0.310 -0.352) 8.007 5.795 ( -1.318 0.488 -4.151) 4.382 6.724 ( -0.464 -0.061 3.278) 3.311 6.917 ( -0.323 0.214 -1.756) 1.799 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.130 0.608 0.752) 0.976 1.080 ( 1.806 -0.225 -0.407) 1.864 1.381 ( -0.983 -1.519 3.734) 4.149 1.611 ( -0.441 -1.563 -1.582) 2.267 1.662 ( -3.651 -1.485 1.493) 4.215 1.683 ( -2.205 -0.528 2.203) 3.161 1.937 ( -1.198 -0.277 0.906) 1.527 1.989 ( -1.978 0.412 5.035) 5.425 2.009 ( -0.016 0.054 1.887) 1.888 2.082 ( 0.813 0.137 3.841) 3.928 2.240 ( -1.011 1.702 0.462) 2.033 2.260 ( -0.124 1.524 -0.238) 1.547 2.501 ( 1.688 -0.092 -7.141) 7.338 2.785 ( -0.529 0.109 -6.885) 6.906 2.976 ( -5.577 -0.853 2.951) 6.367 3.073 ( 2.215 1.275 -0.783) 2.673 3.130 ( 0.835 -0.119 -0.986) 1.298 3.157 ( -2.450 0.147 0.273) 2.470 3.802 ( 1.247 -0.034 1.594) 2.024 3.989 ( 1.966 0.169 -3.703) 4.196 4.219 ( -0.422 -0.063 0.942) 1.034 4.318 ( -2.833 -0.278 -0.869) 2.976 4.398 ( -2.557 -0.197 1.856) 3.165 4.473 ( 2.912 0.111 4.429) 5.302 4.641 ( -5.471 -0.143 -5.941) 8.077 4.739 ( 2.430 0.098 -3.299) 4.098 4.912 ( -2.239 -0.051 0.101) 2.242 4.918 ( -1.899 -0.192 -0.072) 1.910 5.014 ( 1.003 0.023 6.451) 6.529 5.229 ( 3.380 -0.134 7.684) 8.396 5.315 ( -1.230 -0.124 -5.686) 5.819 5.529 ( -4.635 -0.153 2.591) 5.312 5.659 ( 8.232 0.411 -0.568) 8.262 5.784 ( 0.167 -0.582 -3.815) 3.863 6.725 ( 0.619 0.078 3.096) 3.158 6.912 ( -0.194 -0.250 -1.740) 1.768 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.373 0.098 1.318) 1.373 1.125 ( 2.415 0.724 -1.000) 2.712 1.368 ( -4.536 -5.985 3.727) 8.384 1.596 ( -3.118 -3.903 0.699) 5.044 1.621 ( -1.462 -1.954 0.510) 2.493 1.638 ( -1.306 -2.192 -0.232) 2.562 1.875 ( -7.473 -0.047 5.768) 9.440 1.907 ( -3.304 0.179 2.306) 4.033 2.015 ( -0.288 1.469 -1.446) 2.082 2.085 ( -0.709 2.195 1.824) 2.941 2.184 ( -2.848 2.539 1.198) 3.999 2.228 ( -1.118 2.582 0.273) 2.827 2.550 ( 2.679 -0.209 -4.798) 5.499 2.762 ( -1.842 0.460 -5.166) 5.504 2.821 ( -10.951 0.786 4.290) 11.787 3.033 ( -8.993 -0.359 -0.880) 9.043 3.113 ( 1.151 1.118 -0.558) 1.698 3.144 ( -0.351 0.546 -2.282) 2.372 3.849 ( 3.656 -0.011 1.772) 4.063 4.058 ( 5.463 0.444 -4.312) 6.974 4.205 ( -1.052 -0.118 0.793) 1.322 4.247 ( -4.002 -0.272 1.236) 4.198 4.361 ( -1.993 -0.583 -0.462) 2.128 4.506 ( 0.093 0.031 4.162) 4.163 4.526 ( -6.128 -0.095 -4.779) 7.772 4.751 ( -1.184 -0.059 -2.527) 2.791 4.860 ( -2.183 -0.287 0.722) 2.317 4.877 ( -2.262 -0.347 0.210) 2.298 5.040 ( 1.225 -0.034 4.119) 4.298 5.279 ( -2.464 -0.265 -4.962) 5.546 5.325 ( 5.783 -0.732 6.374) 8.637 5.477 ( -1.263 -0.107 4.469) 4.645 5.788 ( 2.312 -1.084 -2.332) 3.458 5.843 ( 8.718 0.086 -3.096) 9.252 6.746 ( 1.666 0.251 2.865) 3.324 6.912 ( -0.065 -0.774 -1.357) 1.564 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -0.978 -0.376 1.525) 1.850 1.148 ( 0.157 0.460 -1.455) 1.534 1.226 ( -12.549 -5.493 3.472) 14.131 1.500 ( -8.668 -1.660 1.840) 9.016 1.647 ( 1.710 -6.686 -0.537) 6.922 1.660 ( -0.627 -3.082 1.728) 3.589 1.724 ( -6.788 -1.288 1.475) 7.064 1.835 ( -3.647 1.764 2.830) 4.941 1.957 ( -4.391 4.480 0.003) 6.273 2.039 ( -2.647 1.978 -1.790) 3.758 2.126 ( -1.847 2.062 1.818) 3.312 2.211 ( -0.490 0.429 0.952) 1.153 2.495 ( -12.983 2.826 1.966) 13.432 2.660 ( -0.138 0.255 0.845) 0.893 2.711 ( -3.452 0.957 -2.214) 4.211 2.817 ( -13.282 -0.434 -0.670) 13.306 3.069 ( -5.463 0.517 -0.675) 5.529 3.135 ( -0.663 1.040 -5.107) 5.253 3.926 ( 3.770 0.206 2.051) 4.297 4.168 ( 2.859 0.270 -2.226) 3.633 4.185 ( -0.252 0.293 -1.362) 1.416 4.189 ( -0.651 0.129 -0.065) 0.667 4.323 ( -1.836 -0.473 -1.338) 2.320 4.419 ( -4.547 -0.026 -5.368) 7.035 4.492 ( -1.237 -0.009 5.472) 5.610 4.717 ( -2.015 -0.561 -1.932) 2.847 4.828 ( -1.100 -0.454 0.079) 1.193 4.862 ( 0.391 -0.184 1.540) 1.600 5.048 ( -0.485 -0.112 2.214) 2.270 5.228 ( -3.168 -0.316 -3.810) 4.965 5.437 ( 4.626 -2.094 5.178) 7.252 5.473 ( 1.116 -0.444 5.195) 5.332 5.828 ( 1.531 -2.431 -0.986) 3.037 6.029 ( 10.511 1.088 -4.331) 11.421 6.785 ( 2.615 0.356 2.758) 3.817 6.917 ( 0.102 -1.163 -0.558) 1.294 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -10.435 -2.528 1.852) 10.895 0.984 ( -10.073 0.529 3.381) 10.638 1.144 ( -0.587 -1.898 -1.248) 2.346 1.308 ( -11.369 0.158 3.730) 11.966 1.567 ( -6.190 -0.791 0.235) 6.244 1.661 ( -4.549 -1.106 0.857) 4.760 1.709 ( -0.766 -6.472 -0.527) 6.538 1.756 ( -7.336 3.013 3.371) 8.617 1.834 ( -4.006 0.789 2.760) 4.928 1.967 ( -4.722 -0.769 -3.453) 5.900 2.082 ( -2.529 1.247 1.076) 3.019 2.188 ( -2.192 -0.599 0.977) 2.474 2.216 ( -9.740 5.456 2.080) 11.357 2.555 ( -11.365 0.039 -1.956) 11.532 2.640 ( -5.623 0.723 0.889) 5.738 2.694 ( 1.975 -0.385 0.918) 2.211 2.913 ( -10.508 0.038 -0.753) 10.535 3.109 ( -0.742 1.603 -6.940) 7.162 3.949 ( -1.603 0.419 1.786) 2.436 4.100 ( -5.863 0.408 0.327) 5.887 4.170 ( -5.011 0.783 -3.396) 6.104 4.213 ( 2.892 0.120 1.050) 3.079 4.330 ( 0.661 -0.374 -2.124) 2.255 4.360 ( -1.578 -0.077 -7.071) 7.245 4.519 ( 5.392 0.270 3.871) 6.643 4.686 ( -1.729 -1.340 -1.620) 2.722 4.832 ( 1.162 -0.289 0.675) 1.374 4.880 ( 1.255 0.031 1.637) 2.063 5.028 ( -1.324 0.075 0.989) 1.654 5.160 ( -4.194 -0.400 -2.866) 5.096 5.473 ( 0.619 -1.013 4.773) 4.918 5.557 ( 3.874 -4.878 4.399) 7.626 5.871 ( 1.840 -2.350 1.309) 3.259 6.219 ( 10.207 1.872 -6.028) 12.001 6.840 ( 3.396 0.193 3.176) 4.654 6.928 ( 0.525 -1.158 0.689) 1.446 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -15.029 0.563 4.560) 15.715 0.811 ( -10.832 3.093 5.486) 12.530 1.081 ( -9.955 0.518 -0.464) 9.979 1.179 ( 0.988 -1.980 -1.147) 2.492 1.406 ( -21.124 5.336 13.438) 25.598 1.465 ( -5.412 -1.055 -0.264) 5.520 1.567 ( -5.015 3.022 -1.059) 5.950 1.703 ( -4.208 -6.171 -0.117) 7.470 1.823 ( -0.940 -1.175 0.244) 1.524 1.840 ( -8.896 -1.095 -0.603) 8.984 2.036 ( -0.927 -1.540 0.245) 1.814 2.132 ( 0.521 1.993 -0.826) 2.219 2.155 ( -0.428 0.113 -0.076) 0.450 2.413 ( -3.524 -0.198 -4.304) 5.566 2.514 ( -7.259 1.015 1.272) 7.439 2.668 ( -10.452 -0.459 -2.304) 10.712 2.756 ( 0.255 -0.022 4.543) 4.551 3.111 ( 2.040 1.689 -7.530) 7.982 3.882 ( -4.440 0.353 1.188) 4.610 3.952 ( -9.038 0.357 0.063) 9.045 4.041 ( -7.546 0.583 -2.020) 7.833 4.221 ( -3.925 -0.205 -7.054) 8.076 4.333 ( 0.116 -0.154 0.699) 0.726 4.387 ( 4.396 -0.219 -3.487) 5.615 4.626 ( 2.489 -1.763 1.027) 3.218 4.677 ( 1.749 -0.055 -0.295) 1.775 4.866 ( 1.934 0.006 0.725) 2.066 4.899 ( 0.698 0.273 1.112) 1.341 5.011 ( -0.341 0.040 -0.282) 0.444 5.083 ( -3.679 -0.361 -1.924) 4.167 5.491 ( 0.437 -1.785 4.406) 4.774 5.633 ( 0.254 -9.573 3.737) 10.280 5.920 ( 2.411 -0.890 3.840) 4.621 6.385 ( 8.340 2.864 -8.426) 12.196 6.913 ( 4.317 -0.535 4.769) 6.455 6.948 ( 1.142 -0.538 2.190) 2.528 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -9.896 6.637 7.258) 13.953 0.573 ( -11.026 5.839 11.600) 17.036 0.856 ( -14.680 5.333 4.243) 16.185 1.027 ( -11.769 1.797 13.567) 18.050 1.226 ( 1.920 -0.815 -5.953) 6.308 1.377 ( -3.622 -1.897 -0.281) 4.099 1.490 ( -1.880 2.040 1.724) 3.266 1.634 ( -7.620 -2.155 -0.454) 7.932 1.638 ( -7.052 -1.904 -0.615) 7.330 1.841 ( 1.296 0.180 4.568) 4.751 2.066 ( 1.959 -4.511 -1.369) 5.105 2.157 ( 2.715 0.194 -1.489) 3.102 2.183 ( 2.753 1.013 -1.733) 3.407 2.367 ( -6.054 0.908 -2.179) 6.498 2.394 ( -0.673 0.330 -3.703) 3.778 2.460 ( -9.974 -0.320 -1.751) 10.132 2.815 ( 5.569 -0.326 6.671) 8.696 3.161 ( 3.414 1.381 -7.441) 8.303 3.790 ( -7.050 0.129 0.296) 7.057 3.804 ( -3.324 0.154 0.679) 3.397 3.907 ( -5.807 0.016 -1.223) 5.935 4.049 ( -15.832 -1.483 -14.268) 21.364 4.338 ( 0.253 0.084 1.233) 1.261 4.481 ( 4.615 -0.068 -2.581) 5.288 4.646 ( 1.028 -2.788 4.125) 5.084 4.718 ( 0.929 0.425 0.211) 1.044 4.858 ( -3.742 -1.228 -0.648) 3.992 4.919 ( 1.212 1.197 1.221) 2.096 5.006 ( -0.336 -1.712 -1.267) 2.156 5.051 ( 0.244 0.753 -1.195) 1.433 5.503 ( -0.657 -4.208 4.620) 6.284 5.661 ( -2.935 -13.686 5.779) 15.144 5.966 ( 2.200 0.387 5.395) 5.839 6.494 ( 4.841 3.974 -11.218) 12.848 6.970 ( 1.002 0.066 3.953) 4.079 7.021 ( 6.676 -2.319 6.309) 9.474 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( 0.000 15.027 7.159) 16.645 0.404 ( 0.000 6.405 17.805) 18.922 0.632 ( 0.000 3.424 22.828) 23.083 0.936 ( 0.000 0.419 3.477) 3.502 1.235 ( 0.000 1.130 -9.399) 9.467 1.377 ( -0.000 -3.509 -1.742) 3.917 1.467 ( 0.000 1.516 2.904) 3.276 1.521 ( -0.000 -0.511 2.991) 3.034 1.598 ( -0.000 -1.575 -0.327) 1.609 1.865 ( -0.000 -0.856 4.667) 4.745 2.116 ( -0.000 -1.497 -4.396) 4.644 2.216 ( 0.000 -0.767 -0.530) 0.932 2.216 ( 0.000 -0.614 1.114) 1.272 2.278 ( 0.000 2.831 -4.271) 5.124 2.336 ( 0.000 0.103 -1.704) 1.707 2.394 ( 0.000 0.327 -5.008) 5.019 2.954 ( -0.000 -2.523 1.385) 2.878 3.196 ( 0.000 1.337 -7.561) 7.678 3.718 ( 0.000 0.065 0.220) 0.229 3.730 ( 0.000 0.105 -0.155) 0.187 3.777 ( 0.000 0.056 1.141) 1.142 3.850 ( 0.000 0.075 -0.747) 0.751 4.340 ( 0.000 0.119 1.240) 1.245 4.528 ( 0.000 0.087 -5.374) 5.374 4.718 ( 0.000 0.062 0.417) 0.421 4.731 ( -0.000 -4.295 7.675) 8.796 4.757 ( 0.000 0.059 -0.543) 0.546 4.922 ( 0.000 0.787 1.785) 1.950 5.018 ( -0.000 -2.246 -1.616) 2.766 5.053 ( 0.000 1.042 -1.361) 1.714 5.518 ( -0.000 -4.586 5.105) 6.862 5.693 ( -0.000 -16.075 7.042) 17.550 5.989 ( 0.000 0.246 5.638) 5.643 6.520 ( 0.000 4.761 -11.962) 12.874 6.978 ( 0.000 0.298 4.737) 4.746 7.148 ( -0.000 -6.681 1.997) 6.973 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 1.291 0.000 1.300) 1.832 1.138 ( -1.386 -0.000 -1.293) 1.896 1.346 ( 13.973 0.000 2.499) 14.195 1.520 ( 10.002 0.000 4.985) 11.175 1.697 ( 4.518 0.000 0.251) 4.525 1.776 ( 5.895 0.000 -0.008) 5.895 1.779 ( 0.547 0.000 0.181) 0.577 1.827 ( -4.850 -0.000 -0.760) 4.909 1.845 ( 6.361 0.000 2.393) 6.796 2.018 ( 0.458 0.000 -3.749) 3.777 2.059 ( 2.059 0.000 2.161) 2.985 2.195 ( -1.296 -0.000 3.014) 3.281 2.442 ( 17.381 0.000 3.623) 17.755 2.658 ( -1.452 -0.000 0.363) 1.497 2.692 ( 4.014 0.000 -1.905) 4.443 2.825 ( 13.104 0.000 -0.875) 13.133 3.060 ( 4.756 0.000 -0.819) 4.826 3.116 ( 1.519 0.000 -5.371) 5.581 3.922 ( -3.494 -0.000 1.955) 4.004 4.161 ( -4.968 -0.000 -4.220) 6.519 4.181 ( 3.200 0.000 -0.034) 3.200 4.188 ( 0.510 0.000 0.813) 0.960 4.331 ( 2.046 0.000 -1.438) 2.501 4.419 ( 4.601 0.000 -5.419) 7.109 4.492 ( 1.298 0.000 5.445) 5.598 4.726 ( 1.401 0.000 -1.973) 2.420 4.838 ( 1.218 0.000 -0.003) 1.218 4.864 ( -0.380 -0.000 1.938) 1.975 5.050 ( 0.519 0.000 1.959) 2.026 5.233 ( 3.121 0.000 -3.858) 4.962 5.473 ( -0.293 -0.000 5.390) 5.398 5.479 ( -7.645 -0.000 5.356) 9.334 5.884 ( -2.155 -0.000 -3.364) 3.995 6.001 ( -10.002 -0.000 -3.732) 10.676 6.780 ( -2.605 -0.000 3.578) 4.426 6.936 ( -0.358 -0.000 -0.634) 0.728 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.570 0.003 1.047) 1.192 1.110 ( -1.611 -0.163 -0.882) 1.844 1.518 ( 2.708 1.950 2.449) 4.139 1.647 ( 3.086 0.294 4.508) 5.471 1.692 ( -2.111 0.795 0.311) 2.277 1.715 ( -1.780 1.389 -0.275) 2.274 1.871 ( 7.088 -0.157 2.871) 7.649 1.917 ( 5.076 1.141 0.120) 5.204 1.946 ( 3.121 -2.242 0.810) 3.928 2.031 ( 1.640 -0.522 -0.659) 1.843 2.125 ( 4.911 -0.848 1.390) 5.174 2.165 ( -1.053 -0.618 3.033) 3.270 2.555 ( -2.633 0.049 -4.239) 4.991 2.751 ( 2.347 -0.124 -4.656) 5.216 2.803 ( 13.586 -0.198 4.333) 14.262 3.041 ( 9.082 0.081 -0.890) 9.126 3.094 ( -0.800 -0.131 0.218) 0.839 3.127 ( -0.502 -0.243 -3.539) 3.583 3.849 ( -3.515 0.001 1.761) 3.931 4.048 ( -5.264 -0.114 -3.872) 6.536 4.208 ( 1.072 0.031 0.822) 1.351 4.253 ( 4.317 0.060 1.390) 4.536 4.374 ( 1.813 0.139 -0.855) 2.010 4.506 ( -0.454 0.022 4.436) 4.459 4.527 ( 6.469 0.005 -5.062) 8.214 4.752 ( 0.794 0.012 -2.489) 2.613 4.872 ( 1.787 0.331 1.363) 2.272 4.878 ( 2.463 -0.190 -0.141) 2.474 5.040 ( -1.373 0.008 3.822) 4.061 5.285 ( 2.405 0.060 -4.937) 5.492 5.340 ( -6.848 0.161 6.426) 9.392 5.479 ( 1.196 0.022 4.695) 4.845 5.815 ( -9.132 0.323 -2.326) 9.429 5.840 ( -2.725 -0.062 -4.121) 4.941 6.742 ( -1.529 -0.040 3.500) 3.819 6.928 ( -0.454 0.171 -1.417) 1.498 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.806 -0.086 0.719) 1.083 1.080 ( -1.545 -0.121 -0.536) 1.640 1.454 ( -4.985 2.116 3.166) 6.273 1.627 ( -2.364 -0.037 -0.608) 2.441 1.686 ( -0.305 -0.116 3.735) 3.749 1.719 ( -0.098 1.077 0.004) 1.082 1.945 ( 0.408 0.233 0.224) 0.520 1.974 ( 1.508 -0.445 0.044) 1.573 1.996 ( 2.710 -0.584 6.693) 7.245 2.067 ( 0.639 -0.479 3.750) 3.834 2.204 ( 4.530 -0.436 0.725) 4.609 2.226 ( 4.241 -0.429 0.128) 4.265 2.503 ( -1.906 0.034 -6.874) 7.134 2.782 ( 0.895 -0.069 -6.601) 6.661 3.010 ( 7.945 0.762 2.380) 8.328 3.049 ( -3.452 0.025 1.350) 3.707 3.108 ( -0.962 -1.097 -2.628) 3.006 3.157 ( 2.940 0.066 0.031) 2.941 3.803 ( -1.316 0.013 1.601) 2.072 3.984 ( -1.495 -0.096 -3.479) 3.788 4.221 ( 0.263 0.032 0.969) 1.005 4.326 ( 2.355 0.149 -0.852) 2.509 4.404 ( 2.074 0.100 1.815) 2.758 4.471 ( -2.944 -0.032 4.296) 5.208 4.645 ( 5.437 0.063 -5.875) 8.005 4.736 ( -2.485 -0.066 -3.290) 4.123 4.916 ( 1.476 0.163 -0.025) 1.485 4.920 ( 2.024 -0.030 0.115) 2.027 5.013 ( -0.978 -0.024 6.381) 6.455 5.233 ( -3.825 0.061 7.711) 8.608 5.319 ( 0.926 0.052 -5.614) 5.690 5.533 ( 4.887 0.079 2.453) 5.468 5.649 ( -7.944 -0.167 -0.284) 7.951 5.799 ( -1.680 0.273 -4.262) 4.589 6.723 ( -0.419 -0.033 3.340) 3.367 6.918 ( -0.494 0.120 -1.762) 1.834 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -0.340 0.638 0.623) 0.954 1.077 ( 2.395 -0.382 -0.244) 2.438 1.371 ( -3.175 -0.537 3.920) 5.073 1.593 ( -1.780 -1.943 -0.887) 2.780 1.654 ( -3.425 -0.280 1.419) 3.717 1.677 ( -3.243 -0.656 1.041) 3.469 1.935 ( -1.261 -0.212 1.219) 1.767 1.992 ( -2.488 0.290 6.576) 7.037 2.009 ( 0.960 -0.121 0.465) 1.073 2.082 ( 1.211 -0.022 3.819) 4.006 2.255 ( 0.159 1.465 0.384) 1.523 2.272 ( 0.693 0.989 -0.150) 1.217 2.500 ( 1.604 -0.073 -7.262) 7.437 2.786 ( -0.414 0.071 -7.000) 7.013 2.970 ( -5.408 -0.445 2.970) 6.186 3.085 ( 1.627 1.135 -1.672) 2.595 3.127 ( 1.685 -0.451 -0.191) 1.754 3.158 ( -2.394 0.078 0.419) 2.432 3.801 ( 1.225 -0.026 1.591) 2.008 3.991 ( 2.111 0.114 -3.777) 4.328 4.218 ( -0.472 -0.045 0.933) 1.046 4.316 ( -2.991 -0.191 -0.864) 3.119 4.397 ( -2.718 -0.139 1.859) 3.296 4.474 ( 2.910 0.088 4.466) 5.332 4.640 ( -5.476 -0.105 -5.967) 8.099 4.740 ( 2.415 0.062 -3.300) 4.090 4.912 ( -2.304 0.034 0.063) 2.305 4.916 ( -2.067 -0.201 -0.052) 2.078 5.015 ( 1.027 0.011 6.479) 6.560 5.228 ( 3.234 -0.097 7.672) 8.327 5.314 ( -1.327 -0.093 -5.707) 5.860 5.528 ( -4.553 -0.106 2.638) 5.263 5.663 ( 8.402 0.313 -0.671) 8.435 5.779 ( -0.394 -0.426 -3.664) 3.710 6.726 ( 0.695 0.058 3.018) 3.097 6.910 ( -0.422 -0.180 -1.732) 1.792 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.659 0.118 1.466) 1.612 1.132 ( 2.650 0.657 -0.988) 2.904 1.315 ( -5.508 -4.685 4.176) 8.350 1.560 ( -3.363 -3.351 0.523) 4.776 1.605 ( -1.864 -1.281 -0.360) 2.291 1.619 ( -2.420 -1.690 -0.408) 2.979 1.874 ( -7.397 -0.096 6.578) 9.899 1.909 ( -3.046 0.186 2.765) 4.118 2.027 ( 0.360 0.954 -1.664) 1.952 2.103 ( 0.585 1.464 2.246) 2.744 2.208 ( -3.216 2.465 0.804) 4.131 2.249 ( -1.849 1.656 0.023) 2.482 2.548 ( 2.719 -0.173 -5.045) 5.734 2.766 ( -1.658 0.361 -5.412) 5.672 2.828 ( -9.865 0.671 4.241) 10.759 3.030 ( -8.954 -0.307 -0.872) 9.001 3.124 ( 1.020 1.182 -0.850) 1.778 3.148 ( -0.380 0.222 -1.789) 1.842 3.849 ( 3.712 -0.012 1.775) 4.115 4.062 ( 5.550 0.357 -4.497) 7.152 4.204 ( -1.036 -0.095 0.778) 1.300 4.244 ( -3.884 -0.234 1.171) 4.064 4.356 ( -2.071 -0.482 -0.311) 2.148 4.506 ( 0.098 0.073 4.277) 4.279 4.525 ( -6.141 -0.112 -4.882) 7.846 4.750 ( -1.341 -0.053 -2.542) 2.874 4.858 ( -2.154 -0.071 0.690) 2.263 4.873 ( -2.379 -0.473 0.111) 2.428 5.039 ( 1.155 -0.029 4.264) 4.418 5.277 ( -2.496 -0.224 -4.978) 5.574 5.318 ( 5.316 -0.629 6.366) 8.318 5.476 ( -1.312 -0.094 4.367) 4.561 5.779 ( 1.075 -0.858 -2.090) 2.502 5.844 ( 9.664 0.061 -2.928) 10.098 6.749 ( 1.766 0.245 2.600) 3.153 6.905 ( -0.313 -0.672 -1.321) 1.515 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -1.156 -0.410 1.528) 1.959 1.152 ( -0.505 0.243 -1.443) 1.548 1.178 ( -10.956 -4.243 4.054) 12.428 1.480 ( -7.728 -2.478 0.467) 8.129 1.589 ( 0.063 -4.927 0.294) 4.936 1.629 ( 0.058 -3.133 0.311) 3.149 1.716 ( -8.192 -0.547 3.337) 8.863 1.850 ( -2.864 1.308 3.882) 4.999 1.996 ( -2.994 3.358 -1.825) 4.855 2.062 ( -3.797 2.708 -0.756) 4.724 2.143 ( -2.356 1.566 2.053) 3.496 2.212 ( -1.661 -0.380 0.451) 1.763 2.521 ( -10.342 2.414 0.914) 10.659 2.663 ( -1.499 0.457 1.309) 2.042 2.719 ( -3.184 0.818 -2.430) 4.088 2.813 ( -13.394 -0.404 -0.524) 13.411 3.074 ( -5.770 0.495 -0.587) 5.821 3.145 ( -0.317 0.985 -4.991) 5.097 3.928 ( 3.918 0.188 2.099) 4.448 4.170 ( 1.489 0.161 -1.112) 1.866 4.187 ( 0.055 0.058 0.225) 0.239 4.192 ( 0.848 0.454 -2.910) 3.065 4.318 ( -1.716 -0.444 -1.293) 2.194 4.419 ( -4.527 -0.028 -5.342) 7.002 4.492 ( -1.151 0.038 5.497) 5.616 4.711 ( -2.418 -0.566 -1.910) 3.132 4.824 ( -1.139 -0.353 0.081) 1.196 4.860 ( 0.504 -0.270 1.327) 1.445 5.047 ( -0.468 -0.123 2.420) 2.468 5.225 ( -3.222 -0.324 -3.788) 4.983 5.416 ( 3.905 -2.144 5.324) 6.942 5.469 ( 0.437 -0.427 4.900) 4.938 5.807 ( 1.407 -1.876 -0.023) 2.345 6.038 ( 10.797 0.794 -4.404) 11.687 6.789 ( 2.690 0.465 2.297) 3.568 6.905 ( -0.088 -1.203 -0.478) 1.297 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -11.217 -2.178 2.100) 11.618 0.999 ( -5.852 2.125 3.043) 6.930 1.124 ( -1.987 -2.075 -1.048) 3.058 1.307 ( -10.634 -0.337 4.114) 11.407 1.561 ( -6.094 -0.448 0.452) 6.128 1.613 ( -2.144 -8.253 2.143) 8.792 1.654 ( -1.923 -3.464 -0.249) 3.970 1.794 ( -3.326 3.437 1.735) 5.088 1.863 ( -8.363 4.778 2.267) 9.895 1.962 ( -5.653 -0.318 -3.260) 6.533 2.088 ( -3.586 0.193 1.333) 3.830 2.180 ( -2.264 -1.059 1.094) 2.729 2.268 ( -10.000 4.910 1.709) 11.271 2.554 ( -11.623 -0.052 -1.713) 11.749 2.647 ( -5.247 0.734 0.425) 5.315 2.690 ( 1.831 -0.448 0.905) 2.090 2.914 ( -10.623 0.106 -0.498) 10.636 3.125 ( -0.510 1.608 -6.726) 6.934 3.954 ( -1.544 0.439 1.901) 2.488 4.104 ( -5.729 0.394 0.638) 5.778 4.179 ( -4.880 1.002 -3.682) 6.195 4.214 ( 2.977 0.121 1.045) 3.157 4.326 ( 0.658 -0.374 -2.096) 2.229 4.359 ( -1.720 -0.102 -6.948) 7.158 4.523 ( 5.493 0.488 3.664) 6.621 4.671 ( -2.263 -1.711 -1.399) 3.163 4.829 ( 1.345 -0.296 0.669) 1.532 4.881 ( 1.366 0.014 1.524) 2.047 5.029 ( -1.148 0.109 1.023) 1.541 5.156 ( -4.316 -0.524 -2.768) 5.154 5.459 ( 0.060 -2.257 4.444) 4.984 5.510 ( 1.710 -4.349 5.095) 6.914 5.852 ( 2.548 -1.570 2.713) 4.039 6.236 ( 10.579 1.544 -6.288) 12.404 6.843 ( 3.248 0.428 2.608) 4.188 6.915 ( 0.605 -1.390 0.749) 1.691 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -11.224 3.774 4.189) 12.561 0.844 ( -9.640 3.619 4.833) 11.375 1.078 ( -7.489 -1.018 -0.115) 7.558 1.160 ( -1.095 -1.659 2.312) 3.049 1.449 ( -17.280 1.359 5.941) 18.323 1.462 ( -7.492 1.100 5.951) 9.631 1.592 ( -5.157 1.855 -0.428) 5.497 1.649 ( -2.929 -3.612 -1.113) 4.781 1.805 ( -5.078 -1.971 -5.560) 7.783 1.836 ( -4.697 -0.090 2.998) 5.573 2.015 ( -3.503 -2.639 1.103) 4.522 2.145 ( -1.059 0.190 0.082) 1.080 2.163 ( -0.075 1.952 -0.346) 1.984 2.411 ( -3.566 -0.214 -4.492) 5.740 2.524 ( -7.171 1.042 0.815) 7.292 2.663 ( -10.264 -0.627 -2.274) 10.531 2.756 ( 0.013 0.029 5.108) 5.108 3.129 ( 2.082 1.925 -7.096) 7.642 3.886 ( -4.505 0.427 1.293) 4.706 3.956 ( -9.145 0.397 0.312) 9.159 4.048 ( -7.700 0.975 -2.349) 8.109 4.217 ( -4.734 -0.499 -7.136) 8.578 4.332 ( 0.284 -0.168 0.654) 0.733 4.384 ( 4.421 -0.310 -2.937) 5.317 4.606 ( 0.279 -2.169 1.679) 2.757 4.676 ( 3.417 -0.096 -0.180) 3.423 4.867 ( 1.903 0.187 0.554) 1.991 4.902 ( 0.973 0.172 1.062) 1.450 5.012 ( -0.667 0.228 -0.486) 0.856 5.078 ( -3.514 -0.636 -1.668) 3.942 5.459 ( -2.333 -5.602 4.798) 7.736 5.548 ( -0.378 -6.622 5.815) 8.820 5.915 ( 3.368 -0.262 4.844) 5.906 6.411 ( 8.704 2.393 -9.148) 12.852 6.907 ( 3.637 -0.518 4.435) 5.759 6.943 ( 1.711 -0.567 1.826) 2.566 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -4.664 10.936 6.621) 13.608 0.634 ( -8.944 6.365 11.452) 15.864 0.909 ( -10.954 4.740 -0.767) 11.961 1.053 ( -14.147 3.705 16.378) 21.957 1.213 ( 2.925 -1.693 -2.373) 4.129 1.364 ( -4.789 -0.539 -1.036) 4.929 1.511 ( -2.230 2.242 1.445) 3.477 1.602 ( -4.172 -3.947 -0.634) 5.778 1.621 ( -9.656 -1.747 -0.812) 9.846 1.840 ( 0.895 -0.553 2.296) 2.525 2.017 ( 1.549 -5.383 -0.394) 5.615 2.158 ( 2.401 -0.004 -0.999) 2.600 2.191 ( 2.649 0.534 -2.900) 3.964 2.375 ( -4.410 0.681 -4.012) 6.001 2.398 ( -1.866 0.473 -2.598) 3.234 2.456 ( -9.886 -0.437 -1.723) 10.044 2.810 ( 4.943 -0.510 7.207) 8.755 3.177 ( 3.369 1.791 -6.840) 7.832 3.792 ( -7.097 0.180 0.342) 7.107 3.806 ( -3.445 0.217 0.708) 3.523 3.908 ( -6.241 0.111 -1.376) 6.392 4.030 ( -16.324 -2.316 -12.127) 20.467 4.339 ( 0.355 0.126 1.231) 1.287 4.480 ( 4.767 -0.133 -2.037) 5.186 4.614 ( 0.435 -3.514 5.573) 6.603 4.722 ( 0.719 0.329 0.213) 0.819 4.847 ( -4.373 -1.034 -0.742) 4.554 4.930 ( 1.093 0.977 1.437) 2.053 4.991 ( -0.796 -1.261 -1.085) 1.844 5.058 ( 0.619 0.587 -0.837) 1.195 5.424 ( -5.139 -11.430 8.934) 15.391 5.569 ( -0.292 -4.906 6.786) 8.379 5.971 ( 2.459 0.577 5.702) 6.236 6.528 ( 4.930 2.887 -12.506) 13.749 6.970 ( 1.572 -0.088 3.924) 4.228 7.000 ( 4.795 -1.820 5.251) 7.340 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 0.000 15.711 5.438) 16.625 0.486 ( 0.000 10.004 14.602) 17.701 0.683 ( 0.000 7.203 18.114) 19.493 0.943 ( 0.000 1.067 6.350) 6.439 1.251 ( 0.000 2.126 -8.801) 9.054 1.332 ( -0.000 -5.277 -0.092) 5.278 1.484 ( 0.000 2.020 2.725) 3.392 1.514 ( -0.000 -1.025 2.467) 2.671 1.576 ( -0.000 -3.010 -0.255) 3.021 1.856 ( -0.000 -1.084 3.202) 3.381 2.081 ( -0.000 -5.212 -3.054) 6.041 2.208 ( -0.000 -1.051 1.405) 1.755 2.221 ( 0.000 1.114 -4.996) 5.119 2.302 ( 0.000 2.028 -5.151) 5.536 2.337 ( 0.000 0.158 -1.780) 1.787 2.398 ( 0.000 0.332 -5.018) 5.029 2.924 ( -0.000 -3.444 4.121) 5.370 3.211 ( 0.000 1.643 -6.905) 7.098 3.719 ( 0.000 0.115 0.213) 0.243 3.731 ( 0.000 0.186 -0.181) 0.260 3.778 ( 0.000 0.099 1.138) 1.142 3.851 ( 0.000 0.132 -0.762) 0.774 4.342 ( 0.000 0.210 1.262) 1.280 4.530 ( 0.000 0.207 -5.516) 5.520 4.676 ( -0.000 -6.416 11.515) 13.182 4.719 ( 0.000 0.110 0.404) 0.418 4.758 ( 0.000 0.104 -0.555) 0.565 4.930 ( 0.000 0.631 2.092) 2.185 4.998 ( -0.000 -1.540 -1.075) 1.878 5.063 ( 0.000 0.896 -0.521) 1.037 5.424 ( -0.000 -13.146 12.346) 18.035 5.587 ( -0.000 -5.052 7.929) 9.401 5.993 ( 0.000 0.606 5.803) 5.835 6.561 ( 0.000 3.401 -14.093) 14.498 6.982 ( 0.000 0.530 3.993) 4.028 7.085 ( -0.000 -5.577 4.910) 7.430 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.925 0.000 0.693) 1.156 1.079 ( -1.596 -0.000 -0.527) 1.681 1.465 ( -5.507 -0.000 3.114) 6.327 1.627 ( -2.804 -0.000 -0.434) 2.837 1.686 ( -0.449 -0.000 3.810) 3.836 1.724 ( -0.552 -0.000 -0.221) 0.594 1.946 ( 0.158 0.000 0.201) 0.255 1.972 ( 1.493 0.000 -0.922) 1.755 1.992 ( 3.238 0.000 7.687) 8.342 2.064 ( 0.809 0.000 3.695) 3.782 2.202 ( 4.834 0.000 0.765) 4.894 2.224 ( 4.675 0.000 0.197) 4.679 2.503 ( -1.924 -0.000 -6.856) 7.121 2.782 ( 0.929 0.000 -6.580) 6.645 3.013 ( 8.159 0.000 2.049) 8.412 3.050 ( -3.289 -0.000 2.160) 3.935 3.102 ( -1.208 -0.000 -3.135) 3.359 3.157 ( 2.946 0.000 0.022) 2.946 3.803 ( -1.322 -0.000 1.601) 2.077 3.984 ( -1.450 -0.000 -3.459) 3.751 4.221 ( 0.248 0.000 0.972) 1.003 4.327 ( 2.313 0.000 -0.848) 2.463 4.404 ( 2.032 0.000 1.810) 2.721 4.471 ( -2.949 -0.000 4.282) 5.199 4.645 ( 5.432 0.000 -5.870) 7.998 4.735 ( -2.491 -0.000 -3.289) 4.125 4.917 ( 1.176 0.000 -0.135) 1.184 4.920 ( 2.272 0.000 0.232) 2.284 5.013 ( -0.980 -0.000 6.375) 6.450 5.233 ( -3.865 -0.000 7.713) 8.627 5.319 ( 0.898 0.000 -5.607) 5.678 5.534 ( 4.909 0.000 2.440) 5.482 5.648 ( -7.930 -0.000 -0.260) 7.934 5.800 ( -1.807 -0.000 -4.301) 4.666 6.723 ( -0.403 -0.000 3.363) 3.387 6.919 ( -0.556 -0.000 -1.763) 1.849 ======================= Grid point 218 (80/147) ======================= q-point: (-0.69 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -0.946 0.335 0.470) 1.108 1.074 ( 3.232 -0.247 -0.079) 3.243 1.368 ( -4.548 -0.065 4.043) 6.086 1.579 ( -2.464 -0.866 -0.434) 2.647 1.654 ( -2.873 0.118 1.867) 3.429 1.671 ( -4.137 -0.381 -0.218) 4.160 1.934 ( -1.275 -0.079 1.428) 1.916 1.994 ( -3.141 0.115 7.987) 8.583 2.007 ( 1.899 -0.084 -0.891) 2.099 2.082 ( 1.429 -0.023 3.814) 4.073 2.266 ( 0.907 0.655 0.302) 1.159 2.278 ( 0.949 0.254 -0.024) 0.983 2.500 ( 1.553 -0.028 -7.341) 7.504 2.787 ( -0.350 0.024 -7.070) 7.079 2.967 ( -5.352 -0.130 2.971) 6.123 3.093 ( 0.640 0.540 -2.855) 2.975 3.123 ( 3.005 -0.308 0.918) 3.158 3.159 ( -2.504 0.012 0.522) 2.558 3.801 ( 1.213 -0.010 1.589) 1.999 3.991 ( 2.191 0.040 -3.820) 4.404 4.218 ( -0.500 -0.016 0.928) 1.054 4.315 ( -3.082 -0.068 -0.858) 3.200 4.396 ( -2.810 -0.050 1.859) 3.370 4.475 ( 2.911 0.034 4.487) 5.348 4.640 ( -5.478 -0.039 -5.982) 8.112 4.740 ( 2.406 0.021 -3.301) 4.085 4.913 ( -2.210 0.110 0.006) 2.212 4.914 ( -2.301 -0.169 -0.004) 2.307 5.015 ( 1.045 0.003 6.495) 6.579 5.227 ( 3.152 -0.035 7.665) 8.287 5.314 ( -1.382 -0.034 -5.718) 5.883 5.527 ( -4.506 -0.038 2.665) 5.235 5.665 ( 8.526 0.118 -0.733) 8.558 5.776 ( -0.738 -0.157 -3.576) 3.655 6.726 ( 0.742 0.022 2.973) 3.065 6.908 ( -0.554 -0.065 -1.727) 1.815 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.829 0.081 1.586) 1.792 1.138 ( 2.817 0.420 -0.948) 3.001 1.279 ( -6.328 -2.590 4.468) 8.168 1.534 ( -3.455 -1.870 0.557) 3.968 1.596 ( -2.650 -0.582 -0.847) 2.842 1.606 ( -2.581 -1.014 -0.779) 2.880 1.873 ( -7.314 -0.067 7.068) 10.171 1.910 ( -2.902 0.110 3.037) 4.203 2.034 ( 0.710 0.479 -1.716) 1.918 2.113 ( 1.533 0.704 2.398) 2.932 2.229 ( -3.537 1.700 0.472) 3.953 2.259 ( -2.377 0.572 0.069) 2.446 2.547 ( 2.757 -0.097 -5.230) 5.913 2.769 ( -1.535 0.196 -5.596) 5.806 2.833 ( -9.109 0.392 4.191) 10.035 3.028 ( -8.921 -0.178 -0.868) 8.965 3.135 ( 0.887 0.991 -1.278) 1.844 3.148 ( -0.335 -0.190 -1.216) 1.276 3.849 ( 3.752 -0.008 1.777) 4.151 4.065 ( 5.614 0.197 -4.628) 7.279 4.203 ( -1.022 -0.052 0.767) 1.279 4.243 ( -3.806 -0.136 1.126) 3.971 4.352 ( -2.126 -0.270 -0.210) 2.154 4.507 ( 0.197 0.065 4.508) 4.512 4.524 ( -6.244 -0.081 -5.101) 8.063 4.750 ( -1.451 -0.031 -2.551) 2.935 4.859 ( -1.967 0.130 0.775) 2.118 4.868 ( -2.630 -0.446 -0.070) 2.669 5.039 ( 1.101 -0.017 4.376) 4.512 5.275 ( -2.522 -0.128 -4.996) 5.598 5.313 ( 4.974 -0.364 6.369) 8.089 5.475 ( -1.355 -0.055 4.291) 4.500 5.772 ( 0.391 -0.470 -1.893) 1.989 5.845 ( 10.160 0.033 -2.838) 10.549 6.751 ( 1.858 0.155 2.410) 3.047 6.899 ( -0.508 -0.394 -1.290) 1.441 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -1.694 -0.444 1.439) 2.266 1.144 ( -7.920 -2.295 4.433) 9.362 1.156 ( -2.019 -0.048 -1.219) 2.359 1.453 ( -6.788 -2.744 -0.248) 7.326 1.554 ( -1.860 -2.225 0.681) 2.979 1.602 ( 0.050 -2.351 -0.666) 2.444 1.712 ( -8.669 -0.233 4.472) 9.757 1.860 ( -2.312 0.779 4.649) 5.251 2.021 ( -1.838 1.706 -3.125) 4.007 2.091 ( -4.349 3.032 -0.173) 5.305 2.156 ( -2.589 1.086 2.183) 3.557 2.204 ( -2.972 -1.157 0.339) 3.208 2.541 ( -7.926 1.518 -0.044) 8.070 2.668 ( -2.982 0.515 1.818) 3.531 2.726 ( -2.974 0.518 -2.652) 4.018 2.809 ( -13.494 -0.281 -0.375) 13.502 3.078 ( -5.994 0.357 -0.509) 6.026 3.153 ( -0.081 0.699 -4.908) 4.958 3.929 ( 4.039 0.130 2.137) 4.571 4.171 ( 0.658 0.080 -0.459) 0.806 4.187 ( -0.175 -0.002 0.723) 0.744 4.196 ( 2.305 0.414 -4.200) 4.809 4.314 ( -1.614 -0.314 -1.261) 2.072 4.418 ( -4.514 -0.022 -5.321) 6.978 4.492 ( -1.037 0.060 5.522) 5.619 4.706 ( -2.807 -0.432 -1.888) 3.410 4.822 ( -1.223 -0.195 0.068) 1.240 4.857 ( 0.652 -0.261 1.137) 1.337 5.046 ( -0.457 -0.102 2.640) 2.681 5.222 ( -3.283 -0.245 -3.774) 5.008 5.398 ( 3.013 -1.616 5.492) 6.469 5.465 ( 0.087 -0.301 4.642) 4.652 5.792 ( 1.420 -1.140 0.686) 1.946 6.044 ( 11.010 0.475 -4.422) 11.874 6.794 ( 2.823 0.439 1.890) 3.425 6.894 ( -0.309 -0.950 -0.377) 1.068 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -8.592 -0.733 1.464) 8.746 1.023 ( -4.378 2.685 3.301) 6.105 1.104 ( -3.205 -1.835 -0.818) 3.783 1.300 ( -9.988 -1.093 4.344) 10.946 1.532 ( -3.640 -7.044 1.290) 8.033 1.561 ( -5.586 -0.252 2.769) 6.239 1.622 ( -1.454 -3.231 -1.040) 3.692 1.821 ( -1.401 2.186 2.445) 3.567 1.917 ( -9.553 5.761 1.328) 11.234 1.961 ( -6.124 0.039 -3.837) 7.227 2.086 ( -5.101 -0.653 1.327) 5.311 2.168 ( -1.969 -1.287 1.643) 2.869 2.310 ( -10.416 3.606 1.465) 11.119 2.554 ( -11.743 -0.093 -1.490) 11.837 2.654 ( -4.953 0.630 0.043) 4.993 2.685 ( 1.613 -0.459 0.844) 1.877 2.915 ( -10.720 0.129 -0.243) 10.724 3.139 ( -0.309 1.269 -6.548) 6.677 3.958 ( -1.486 0.359 2.007) 2.523 4.108 ( -5.618 0.296 0.888) 5.696 4.189 ( -4.637 0.989 -3.928) 6.157 4.215 ( 3.031 0.089 1.030) 3.203 4.323 ( 0.649 -0.291 -2.060) 2.179 4.358 ( -1.875 -0.100 -6.913) 7.163 4.529 ( 5.764 0.700 3.413) 6.736 4.654 ( -3.027 -1.808 -1.073) 3.685 4.826 ( 1.514 -0.235 0.669) 1.672 4.881 ( 1.482 -0.010 1.408) 2.045 5.030 ( -0.922 0.116 1.095) 1.436 5.151 ( -4.490 -0.521 -2.710) 5.270 5.426 ( -1.498 -4.004 5.248) 6.769 5.482 ( 0.959 -1.568 4.873) 5.209 5.841 ( 3.205 -0.873 3.615) 4.910 6.248 ( 10.851 1.062 -6.403) 12.644 6.849 ( 3.157 0.681 2.020) 3.809 6.902 ( 0.659 -1.435 0.897) 1.817 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -6.702 6.266 2.779) 9.586 0.880 ( -8.803 3.677 3.837) 10.283 1.064 ( -4.911 -1.599 0.658) 5.207 1.147 ( -3.486 -1.130 6.074) 7.094 1.429 ( -12.242 -5.052 4.085) 13.859 1.468 ( -6.055 0.016 4.987) 7.844 1.592 ( -3.117 -1.376 -0.240) 3.415 1.660 ( -8.364 4.900 -0.528) 9.708 1.792 ( -7.049 -0.462 -6.053) 9.302 1.836 ( -3.680 -0.045 2.290) 4.335 1.986 ( -5.268 -3.300 1.689) 6.442 2.143 ( -0.633 -0.407 1.249) 1.458 2.183 ( -1.801 1.858 -0.722) 2.686 2.409 ( -3.619 -0.179 -4.654) 5.898 2.534 ( -7.115 0.924 0.423) 7.187 2.656 ( -10.001 -0.709 -2.273) 10.280 2.757 ( -0.342 0.063 5.686) 5.697 3.147 ( 2.124 1.718 -6.679) 7.216 3.890 ( -4.570 0.403 1.407) 4.798 3.960 ( -9.245 0.331 0.551) 9.268 4.060 ( -7.822 1.330 -2.766) 8.403 4.211 ( -5.938 -0.878 -7.236) 9.401 4.330 ( 0.461 -0.139 0.626) 0.790 4.381 ( 4.455 -0.352 -2.236) 4.997 4.585 ( -1.260 -2.069 2.352) 3.376 4.675 ( 4.564 -0.100 -0.039) 4.565 4.870 ( 2.124 0.411 0.423) 2.204 4.902 ( 1.009 -0.070 0.935) 1.377 5.016 ( -0.873 0.516 -0.691) 1.227 5.071 ( -3.373 -0.898 -1.568) 3.827 5.385 ( -5.723 -8.155 7.746) 12.620 5.510 ( 1.135 -2.010 5.025) 5.530 5.914 ( 3.972 0.006 5.385) 6.691 6.430 ( 8.817 1.680 -9.483) 13.057 6.903 ( 2.881 -0.428 4.255) 5.157 6.938 ( 2.472 -0.434 1.409) 2.878 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -1.481 12.736 5.327) 13.884 0.695 ( -7.230 6.060 11.009) 14.498 0.942 ( -6.999 2.054 -0.984) 7.360 1.088 ( -12.964 2.187 13.719) 19.002 1.202 ( 0.915 0.034 3.382) 3.504 1.367 ( -4.984 1.109 -1.766) 5.403 1.531 ( -2.430 1.632 0.784) 3.030 1.562 ( -4.131 -3.905 -0.788) 5.739 1.605 ( -9.423 -1.284 -1.154) 9.580 1.828 ( 0.073 -1.947 -0.272) 1.967 1.966 ( 1.155 -4.851 0.638) 5.027 2.157 ( 1.941 -0.285 -0.127) 1.965 2.193 ( 2.217 -0.182 -3.380) 4.047 2.380 ( -2.328 0.282 -5.605) 6.076 2.403 ( -3.766 0.542 -1.671) 4.156 2.451 ( -9.740 -0.474 -1.715) 9.901 2.805 ( 4.183 -0.629 7.923) 8.981 3.194 ( 3.228 1.744 -6.220) 7.222 3.794 ( -7.157 0.190 0.393) 7.171 3.808 ( -3.580 0.230 0.747) 3.665 3.910 ( -6.990 0.310 -1.626) 7.184 4.005 ( -16.258 -2.758 -9.428) 18.995 4.340 ( 0.473 0.147 1.262) 1.356 4.479 ( 4.936 -0.248 -0.910) 5.025 4.582 ( -0.096 -2.996 5.962) 6.673 4.724 ( 0.571 0.224 0.236) 0.657 4.839 ( -4.874 -0.616 -0.909) 4.996 4.937 ( 0.674 0.464 1.673) 1.863 4.984 ( -0.367 -0.150 -1.084) 1.154 5.062 ( 0.981 0.291 -1.006) 1.435 5.315 ( -5.497 -10.090 12.093) 16.682 5.540 ( 0.929 -1.795 5.152) 5.534 5.977 ( 2.639 0.590 5.969) 6.553 6.551 ( 4.623 1.738 -12.731) 13.656 6.966 ( 2.710 -0.753 5.129) 5.849 6.989 ( 3.056 -0.443 3.014) 4.315 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 11.435 9.901) 15.126 0.590 ( 0.000 10.990 11.829) 16.147 0.771 ( 0.000 10.187 7.036) 12.381 0.957 ( 0.000 1.970 11.080) 11.253 1.275 ( 0.000 2.873 -7.864) 8.373 1.281 ( -0.000 -4.998 2.064) 5.407 1.501 ( -0.000 -1.546 1.609) 2.231 1.505 ( 0.000 2.240 2.366) 3.258 1.541 ( -0.000 -4.105 -0.145) 4.107 1.841 ( -0.000 -2.150 0.284) 2.168 2.025 ( -0.000 -5.751 -0.955) 5.830 2.196 ( -0.000 -1.248 1.654) 2.072 2.227 ( -0.000 -0.149 -7.190) 7.191 2.318 ( 0.000 1.368 -5.349) 5.521 2.339 ( 0.000 0.158 -1.880) 1.887 2.399 ( -0.000 -0.061 -5.108) 5.108 2.891 ( -0.000 -3.271 6.802) 7.548 3.226 ( 0.000 1.455 -6.111) 6.282 3.720 ( 0.000 0.140 0.205) 0.248 3.733 ( 0.000 0.224 -0.219) 0.313 3.779 ( 0.000 0.120 1.134) 1.141 3.853 ( 0.000 0.158 -0.784) 0.799 4.344 ( 0.000 0.259 1.324) 1.350 4.533 ( 0.000 0.332 -5.538) 5.548 4.616 ( -0.000 -5.532 13.456) 14.549 4.720 ( 0.000 0.132 0.385) 0.407 4.759 ( 0.000 0.124 -0.572) 0.585 4.933 ( 0.000 0.004 2.218) 2.218 4.991 ( 0.000 0.149 -0.611) 0.629 5.071 ( 0.000 0.763 -0.522) 0.925 5.307 ( -0.000 -10.108 13.519) 16.880 5.558 ( -0.000 -1.874 5.545) 5.853 6.000 ( 0.000 0.725 6.012) 6.056 6.586 ( 0.000 1.792 -14.094) 14.207 6.988 ( 0.000 0.569 3.404) 3.451 7.043 ( -0.000 -3.265 5.088) 6.045 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.883 -0.000 1.633) 1.857 1.140 ( 2.890 0.000 -0.927) 3.035 1.266 ( -6.665 -0.000 4.569) 8.081 1.525 ( -3.466 -0.000 0.577) 3.513 1.593 ( -3.265 -0.000 -0.928) 3.394 1.601 ( -2.293 -0.000 -1.009) 2.505 1.873 ( -7.281 -0.000 7.230) 10.261 1.911 ( -2.856 -0.000 3.128) 4.236 2.036 ( 0.821 0.000 -1.722) 1.908 2.117 ( 1.867 0.000 2.430) 3.065 2.238 ( -3.671 -0.000 0.303) 3.684 2.262 ( -2.550 -0.000 0.166) 2.555 2.546 ( 2.773 0.000 -5.299) 5.981 2.769 ( -1.491 -0.000 -5.663) 5.856 2.835 ( -8.841 -0.000 4.170) 9.775 3.027 ( -8.908 -0.000 -0.867) 8.950 3.141 ( 1.433 0.000 -2.497) 2.879 3.145 ( -0.908 -0.000 0.056) 0.909 3.849 ( 3.766 0.000 1.778) 4.164 4.066 ( 5.638 0.000 -4.675) 7.325 4.203 ( -1.016 -0.000 0.763) 1.271 4.242 ( -3.779 -0.000 1.110) 3.939 4.351 ( -2.147 -0.000 -0.174) 2.154 4.507 ( 0.266 0.000 4.643) 4.651 4.523 ( -6.315 -0.000 -5.232) 8.201 4.750 ( -1.491 -0.000 -2.555) 2.958 4.860 ( -1.613 -0.000 1.032) 1.915 4.865 ( -3.008 -0.000 -0.364) 3.030 5.039 ( 1.081 0.000 4.418) 4.549 5.274 ( -2.532 -0.000 -5.004) 5.608 5.311 ( 4.849 0.000 6.372) 8.007 5.475 ( -1.371 -0.000 4.264) 4.479 5.770 ( 0.173 0.000 -1.818) 1.826 5.845 ( 10.313 0.000 -2.810) 10.689 6.751 ( 1.897 0.000 2.340) 3.012 6.897 ( -0.583 -0.000 -1.277) 1.404 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -2.236 -0.221 1.359) 2.626 1.129 ( -7.022 -0.742 5.212) 8.776 1.156 ( -1.621 0.025 -1.610) 2.285 1.433 ( -6.565 -1.199 -0.392) 6.685 1.542 ( -2.807 -0.528 0.786) 2.963 1.586 ( -0.057 -0.895 -1.262) 1.549 1.711 ( -8.826 -0.066 4.977) 10.133 1.865 ( -2.037 0.256 5.045) 5.446 2.031 ( -1.486 0.495 -3.508) 3.841 2.115 ( -4.122 1.565 -0.436) 4.431 2.164 ( -2.003 0.532 2.424) 3.189 2.192 ( -4.586 -0.985 0.402) 4.708 2.550 ( -6.476 0.500 -0.604) 6.523 2.672 ( -3.957 0.236 2.148) 4.508 2.729 ( -2.858 0.171 -2.804) 4.007 2.808 ( -13.550 -0.100 -0.278) 13.553 3.080 ( -6.111 0.130 -0.463) 6.130 3.158 ( 0.033 0.252 -4.866) 4.873 3.930 ( 4.107 0.046 2.157) 4.639 4.172 ( 0.315 0.025 -0.189) 0.368 4.187 ( -0.238 -0.004 0.825) 0.859 4.199 ( 2.951 0.160 -4.659) 5.517 4.312 ( -1.555 -0.113 -1.246) 1.996 4.418 ( -4.509 -0.008 -5.310) 6.966 4.493 ( -0.950 0.030 5.538) 5.619 4.703 ( -3.057 -0.163 -1.873) 3.589 4.820 ( -1.299 -0.056 0.053) 1.301 4.856 ( 0.765 -0.112 1.024) 1.283 5.045 ( -0.454 -0.041 2.789) 2.826 5.221 ( -3.325 -0.092 -3.769) 5.027 5.386 ( 2.438 -0.601 5.601) 6.138 5.463 ( -0.062 -0.108 4.495) 4.497 5.785 ( 1.465 -0.378 1.055) 1.844 6.047 ( 11.122 0.157 -4.422) 11.970 6.797 ( 2.950 0.190 1.643) 3.382 6.888 ( -0.482 -0.372 -0.298) 0.678 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -6.237 0.007 0.658) 6.272 1.050 ( -2.876 2.667 3.576) 5.307 1.089 ( -4.044 -1.444 -0.494) 4.322 1.286 ( -9.603 -1.596 4.068) 10.550 1.477 ( -5.274 -3.861 3.811) 7.566 1.562 ( -5.413 0.469 1.474) 5.629 1.594 ( -1.468 -2.423 -1.463) 3.188 1.837 ( -0.786 1.119 3.430) 3.692 1.959 ( -9.065 0.756 -2.161) 9.349 1.971 ( -6.196 3.909 -2.218) 7.655 2.075 ( -7.017 -1.503 1.370) 7.306 2.157 ( -1.324 -0.891 2.428) 2.906 2.337 ( -10.795 1.907 1.331) 11.043 2.553 ( -11.776 -0.069 -1.343) 11.853 2.659 ( -4.808 0.434 -0.190) 4.832 2.681 ( 1.473 -0.363 0.767) 1.700 2.916 ( -10.783 0.086 -0.058) 10.783 3.149 ( -0.176 0.694 -6.432) 6.471 3.960 ( -1.443 0.201 2.082) 2.541 4.110 ( -5.551 0.155 1.037) 5.649 4.197 ( -4.372 0.638 -4.088) 6.019 4.216 ( 3.055 0.038 1.021) 3.222 4.321 ( 0.635 -0.154 -2.031) 2.134 4.357 ( -2.005 -0.063 -6.949) 7.233 4.536 ( 6.300 0.637 3.158) 7.076 4.638 ( -3.977 -1.312 -0.716) 4.249 4.824 ( 1.628 -0.128 0.671) 1.766 4.881 ( 1.572 -0.018 1.318) 2.051 5.031 ( -0.714 0.076 1.185) 1.386 5.146 ( -4.655 -0.332 -2.698) 5.391 5.392 ( -2.829 -2.624 6.190) 7.294 5.472 ( 0.830 -0.520 4.423) 4.530 5.835 ( 3.617 -0.380 4.098) 5.479 6.256 ( 11.013 0.536 -6.439) 12.769 6.856 ( 3.282 0.787 1.444) 3.671 6.888 ( 0.520 -1.197 1.182) 1.761 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -2.497 6.090 0.378) 6.593 0.913 ( -8.553 2.841 2.348) 9.314 1.056 ( -3.497 0.302 2.997) 4.616 1.136 ( -4.236 -1.486 8.557) 9.663 1.362 ( -10.642 -7.545 5.878) 14.309 1.471 ( -4.026 0.551 1.824) 4.454 1.574 ( -2.303 -2.072 -1.675) 3.522 1.716 ( -11.247 5.567 -0.180) 12.550 1.798 ( -8.066 1.592 -4.109) 9.192 1.835 ( -3.874 -0.118 0.867) 3.971 1.951 ( -6.236 -3.826 2.103) 7.612 2.139 ( -0.344 -0.380 1.997) 2.062 2.198 ( -3.118 1.110 -0.735) 3.390 2.407 ( -3.664 -0.116 -4.759) 6.007 2.542 ( -7.073 0.697 0.182) 7.110 2.650 ( -9.741 -0.613 -2.314) 10.031 2.757 ( -0.708 0.056 6.137) 6.177 3.162 ( 2.158 1.170 -6.357) 6.815 3.894 ( -4.619 0.288 1.503) 4.866 3.962 ( -9.317 0.206 0.718) 9.347 4.073 ( -7.797 1.359 -3.185) 8.532 4.201 ( -7.362 -1.056 -7.279) 10.407 4.329 ( 0.608 -0.087 0.618) 0.871 4.377 ( 4.496 -0.294 -1.534) 4.759 4.568 ( -2.068 -1.456 2.835) 3.800 4.675 ( 5.287 -0.072 0.096) 5.288 4.875 ( 2.713 0.574 0.357) 2.795 4.900 ( 0.623 -0.348 0.732) 1.022 5.022 ( -0.717 0.800 -0.834) 1.360 5.061 ( -3.485 -1.050 -1.658) 4.000 5.316 ( -6.708 -5.709 9.954) 13.292 5.497 ( 1.390 -0.834 4.346) 4.639 5.914 ( 4.318 0.065 5.695) 7.147 6.443 ( 8.813 0.979 -9.599) 13.068 6.899 ( 2.229 -0.294 4.205) 4.768 6.934 ( 3.195 -0.242 1.057) 3.374 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -5.105 6.083 10.393) 13.080 0.765 ( -1.105 11.128 3.165) 11.622 0.954 ( -5.167 0.728 2.176) 5.653 1.086 ( -7.930 -1.981 10.021) 12.932 1.211 ( -1.276 0.664 7.458) 7.595 1.385 ( -4.597 2.398 -1.765) 5.477 1.521 ( -4.542 -3.154 -1.342) 5.690 1.550 ( -4.152 0.972 -0.454) 4.289 1.601 ( -8.828 0.629 -0.408) 8.859 1.803 ( -1.243 -3.141 -2.040) 3.946 1.924 ( 1.058 -3.674 0.772) 3.900 2.153 ( 1.586 -0.356 0.704) 1.771 2.188 ( 1.431 -0.656 -2.901) 3.301 2.381 ( -0.887 0.004 -6.377) 6.438 2.409 ( -5.239 0.585 -1.384) 5.450 2.447 ( -9.561 -0.457 -1.744) 9.729 2.799 ( 3.469 -0.605 8.626) 9.317 3.209 ( 3.041 1.349 -5.715) 6.613 3.795 ( -7.221 0.157 0.439) 7.236 3.810 ( -3.694 0.189 0.787) 3.781 3.914 ( -8.133 0.627 -2.008) 8.401 3.978 ( -15.282 -2.681 -6.844) 16.957 4.342 ( 0.584 0.137 1.321) 1.451 4.476 ( 4.973 -0.364 0.850) 5.059 4.558 ( -0.117 -1.754 4.664) 4.984 4.726 ( 0.474 0.141 0.271) 0.564 4.835 ( -5.150 -0.237 -1.110) 5.274 4.939 ( 0.213 0.102 1.749) 1.765 4.987 ( 0.480 0.807 -1.555) 1.817 5.063 ( 1.272 -0.248 -1.351) 1.872 5.233 ( -4.403 -6.688 13.361) 15.576 5.527 ( 1.123 -1.000 4.398) 4.648 5.982 ( 2.773 0.466 6.181) 6.791 6.563 ( 4.273 0.943 -12.582) 13.321 6.958 ( 3.210 -0.803 5.803) 6.680 6.988 ( 2.390 0.188 1.626) 2.897 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.000 7.464 14.880) 16.647 0.694 ( 0.000 10.082 9.915) 14.141 0.862 ( 0.000 7.572 -3.345) 8.278 0.983 ( 0.000 3.201 15.007) 15.345 1.245 ( -0.000 -1.803 4.778) 5.107 1.306 ( 0.000 3.274 -6.675) 7.434 1.483 ( -0.000 -2.345 0.412) 2.381 1.499 ( -0.000 -4.240 0.027) 4.240 1.528 ( 0.000 2.381 1.712) 2.933 1.812 ( -0.000 -3.735 -2.486) 4.487 1.973 ( -0.000 -4.833 0.019) 4.833 2.184 ( -0.000 -1.164 1.925) 2.250 2.219 ( -0.000 -1.379 -6.546) 6.690 2.330 ( 0.000 1.043 -5.139) 5.243 2.340 ( 0.000 0.124 -1.980) 1.984 2.397 ( -0.000 -0.455 -5.215) 5.235 2.862 ( -0.000 -2.601 8.827) 9.202 3.239 ( 0.000 1.145 -5.505) 5.623 3.721 ( 0.000 0.132 0.195) 0.235 3.735 ( 0.000 0.211 -0.259) 0.334 3.780 ( 0.000 0.114 1.131) 1.137 3.854 ( 0.000 0.147 -0.806) 0.819 4.346 ( 0.000 0.258 1.422) 1.445 4.536 ( 0.000 0.171 -4.058) 4.061 4.572 ( -0.000 -3.281 11.492) 11.951 4.721 ( 0.000 0.124 0.365) 0.386 4.760 ( 0.000 0.117 -0.590) 0.601 4.932 ( -0.000 -0.102 2.041) 2.043 4.998 ( 0.000 1.148 -0.479) 1.244 5.077 ( 0.000 0.368 -1.120) 1.179 5.226 ( -0.000 -6.896 12.782) 14.524 5.544 ( -0.000 -1.173 4.617) 4.763 6.006 ( 0.000 0.653 6.216) 6.251 6.598 ( 0.000 0.856 -13.561) 13.588 6.992 ( 0.000 0.169 3.801) 3.805 7.020 ( -0.000 -1.406 3.890) 4.136 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -5.312 -0.000 0.292) 5.320 1.069 ( 0.018 0.000 5.469) 5.469 1.077 ( -6.365 -0.000 -2.085) 6.697 1.277 ( -9.632 -0.000 3.756) 10.339 1.459 ( -6.126 -0.000 4.704) 7.724 1.567 ( -6.112 -0.000 1.574) 6.312 1.579 ( -0.711 -0.000 -1.987) 2.110 1.842 ( -0.591 -0.000 3.832) 3.877 1.960 ( -7.914 -0.000 -3.804) 8.780 1.996 ( -6.538 -0.000 -1.882) 6.803 2.064 ( -8.387 -0.000 1.885) 8.596 2.152 ( -0.983 -0.000 2.801) 2.968 2.346 ( -10.947 -0.000 1.290) 11.022 2.553 ( -11.780 -0.000 -1.293) 11.850 2.662 ( -4.866 -0.000 -0.278) 4.874 2.679 ( 1.527 0.000 0.743) 1.698 2.917 ( -10.804 -0.000 0.010) 10.804 3.152 ( -0.130 -0.000 -6.392) 6.393 3.961 ( -1.428 -0.000 2.108) 2.546 4.111 ( -5.529 -0.000 1.085) 5.635 4.200 ( -4.262 -0.000 -4.153) 5.951 4.216 ( 3.071 0.000 1.030) 3.239 4.320 ( 0.628 0.000 -2.020) 2.115 4.357 ( -2.057 -0.000 -6.978) 7.275 4.539 ( 6.691 0.000 3.035) 7.347 4.631 ( -4.534 -0.000 -0.544) 4.567 4.824 ( 1.667 0.000 0.672) 1.798 4.880 ( 1.606 0.000 1.283) 2.055 5.031 ( -0.626 -0.000 1.230) 1.380 5.145 ( -4.725 -0.000 -2.702) 5.443 5.379 ( -3.287 -0.000 6.515) 7.297 5.470 ( 0.798 0.000 4.284) 4.357 5.833 ( 3.753 0.000 4.249) 5.670 6.259 ( 11.067 0.000 -6.445) 12.807 6.861 ( 3.728 0.000 1.026) 3.867 6.881 ( 0.072 0.000 1.499) 1.501 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.157 2.483 -1.848) 3.099 0.932 ( -8.474 0.865 0.700) 8.547 1.076 ( -3.535 3.665 6.516) 8.270 1.114 ( -2.697 -3.198 8.329) 9.320 1.302 ( -11.516 -3.793 7.443) 14.227 1.477 ( -3.591 0.438 1.358) 3.864 1.557 ( -2.016 -1.141 -3.058) 3.836 1.754 ( -11.921 1.978 -1.458) 12.172 1.818 ( -5.236 1.780 -1.217) 5.662 1.835 ( -8.051 0.517 -0.838) 8.111 1.916 ( -5.937 -2.819 2.690) 7.101 2.136 ( -0.201 -0.150 2.404) 2.417 2.205 ( -3.835 0.358 -0.693) 3.914 2.407 ( -3.691 -0.040 -4.806) 6.059 2.547 ( -7.045 0.275 0.091) 7.051 2.645 ( -9.582 -0.254 -2.365) 9.873 2.758 ( -0.941 0.021 6.377) 6.446 3.170 ( 2.177 0.413 -6.184) 6.569 3.896 ( -4.644 0.104 1.559) 4.900 3.963 ( -9.355 0.068 0.797) 9.389 4.084 ( -7.620 0.641 -3.462) 8.395 4.192 ( -8.471 -0.539 -7.257) 11.168 4.328 ( 0.691 -0.029 0.619) 0.928 4.375 ( 4.527 -0.116 -1.080) 4.656 4.558 ( -2.343 -0.518 3.051) 3.881 4.674 ( 5.644 -0.026 0.181) 5.647 4.880 ( 3.843 0.392 0.373) 3.881 4.896 ( -0.402 -0.317 0.527) 0.735 5.030 ( 0.256 0.656 -0.780) 1.051 5.052 ( -4.394 -0.739 -1.919) 4.851 5.278 ( -6.922 -1.988 11.062) 13.200 5.492 ( 1.418 -0.253 4.064) 4.311 5.914 ( 4.477 0.031 5.841) 7.360 6.450 ( 8.788 0.320 -9.626) 13.038 6.897 ( 1.865 -0.107 4.201) 4.598 6.933 ( 3.618 -0.073 0.865) 3.721 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -5.704 2.432 9.881) 11.666 0.874 ( 1.052 9.756 -0.701) 9.838 0.959 ( -4.607 0.407 5.300) 7.034 1.061 ( -8.552 -2.767 11.994) 14.989 1.202 ( 3.044 -2.115 6.931) 7.860 1.411 ( -3.505 2.705 -0.968) 4.532 1.492 ( -6.130 -2.728 -3.526) 7.580 1.563 ( -6.192 1.520 -0.379) 6.387 1.614 ( -8.402 1.574 0.910) 8.597 1.772 ( -2.274 -2.821 -2.536) 4.422 1.895 ( 1.031 -2.234 -0.255) 2.474 2.150 ( 1.390 -0.235 1.294) 1.913 2.182 ( 0.700 -0.552 -2.065) 2.249 2.381 ( -0.320 -0.073 -6.610) 6.618 2.414 ( -5.873 0.466 -1.417) 6.059 2.443 ( -9.437 -0.345 -1.800) 9.613 2.794 ( 2.968 -0.380 9.126) 9.604 3.220 ( 2.891 0.730 -5.393) 6.162 3.796 ( -7.271 0.088 0.470) 7.287 3.811 ( -3.763 0.106 0.816) 3.852 3.922 ( -9.708 1.070 -2.591) 10.105 3.954 ( -13.554 -2.223 -4.832) 14.560 4.343 ( 0.663 0.085 1.377) 1.531 4.472 ( 4.844 -0.289 2.469) 5.445 4.547 ( 0.202 -0.679 2.913) 2.998 4.727 ( 0.415 0.070 0.301) 0.518 4.834 ( -5.294 -0.036 -1.280) 5.447 4.940 ( 0.094 0.012 1.719) 1.722 4.997 ( 1.121 1.083 -2.793) 3.198 5.057 ( 1.261 -0.801 -0.930) 1.760 5.185 ( -3.581 -3.234 14.203) 15.000 5.520 ( 1.158 -0.485 4.027) 4.218 5.986 ( 2.859 0.254 6.315) 6.937 6.570 ( 4.027 0.408 -12.401) 13.044 6.951 ( 3.258 -0.426 5.899) 6.752 6.991 ( 2.341 0.184 1.143) 2.611 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.000 4.302 16.014) 16.581 0.781 ( 0.000 7.397 8.776) 11.477 0.915 ( 0.000 3.851 0.416) 3.874 1.005 ( 0.000 0.565 8.789) 8.808 1.253 ( 0.000 3.230 7.444) 8.114 1.338 ( 0.000 3.208 -5.378) 6.262 1.449 ( -0.000 -4.050 -0.141) 4.052 1.469 ( -0.000 -2.152 -0.627) 2.241 1.551 ( 0.000 2.222 1.040) 2.453 1.772 ( -0.000 -4.043 -3.728) 5.499 1.932 ( -0.000 -3.624 -0.777) 3.706 2.174 ( -0.000 -0.822 2.157) 2.308 2.204 ( -0.000 -1.514 -4.448) 4.698 2.339 ( 0.000 0.746 -4.888) 4.944 2.341 ( 0.000 0.076 -2.060) 2.061 2.392 ( -0.000 -0.497 -5.360) 5.383 2.841 ( -0.000 -1.668 10.075) 10.212 3.249 ( 0.000 0.748 -5.144) 5.198 3.722 ( 0.000 0.094 0.187) 0.209 3.737 ( 0.000 0.149 -0.293) 0.329 3.781 ( 0.000 0.082 1.128) 1.131 3.855 ( 0.000 0.103 -0.824) 0.830 4.349 ( 0.000 0.196 1.525) 1.537 4.532 ( -0.000 -0.926 5.505) 5.583 4.554 ( -0.000 -0.502 0.711) 0.870 4.723 ( 0.000 0.088 0.349) 0.360 4.761 ( 0.000 0.082 -0.605) 0.610 4.932 ( 0.000 0.010 1.890) 1.890 5.012 ( 0.000 1.618 -1.096) 1.955 5.076 ( -0.000 -0.595 -1.665) 1.768 5.172 ( -0.000 -4.111 13.213) 13.838 5.535 ( -0.000 -0.704 4.135) 4.194 6.012 ( 0.000 0.444 6.369) 6.384 6.604 ( 0.000 0.362 -13.069) 13.074 6.991 ( -0.000 -0.382 5.207) 5.221 7.014 ( -0.000 -0.095 1.936) 1.938 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -5.562 -0.000 9.176) 10.730 0.932 ( 4.595 0.000 -5.784) 7.387 0.959 ( -6.290 -0.000 7.419) 9.726 1.043 ( -11.859 -0.000 16.400) 20.238 1.187 ( 6.380 0.000 6.285) 8.956 1.428 ( -1.837 -0.000 0.773) 1.993 1.474 ( -7.557 -0.000 -6.062) 9.688 1.572 ( -7.025 -0.000 -0.041) 7.025 1.624 ( -8.772 -0.000 1.541) 8.907 1.756 ( -2.438 -0.000 -2.586) 3.554 1.884 ( 0.984 0.000 -0.954) 1.371 2.149 ( 1.332 0.000 1.508) 2.012 2.179 ( 0.407 0.000 -1.669) 1.717 2.380 ( -0.202 -0.000 -6.653) 6.656 2.416 ( -5.990 -0.000 -1.448) 6.162 2.441 ( -9.422 -0.000 -1.835) 9.599 2.792 ( 2.789 0.000 9.304) 9.713 3.223 ( 2.835 0.000 -5.283) 5.995 3.797 ( -7.291 -0.000 0.481) 7.307 3.812 ( -3.785 -0.000 0.827) 3.874 3.935 ( -15.796 -0.000 -4.886) 16.534 3.936 ( -7.361 -0.000 -2.056) 7.642 4.343 ( 0.691 0.000 1.400) 1.562 4.471 ( 4.761 0.000 3.076) 5.668 4.544 ( 0.381 0.000 2.187) 2.220 4.727 ( 0.395 0.000 0.314) 0.504 4.833 ( -5.345 -0.000 -1.347) 5.512 4.940 ( 0.104 0.000 1.699) 1.702 5.004 ( 1.457 0.000 -4.057) 4.310 5.052 ( 1.041 0.000 0.160) 1.053 5.169 ( -3.247 -0.000 14.382) 14.744 5.518 ( 1.163 0.000 3.911) 4.080 5.987 ( 2.888 0.000 6.361) 6.986 6.572 ( 3.940 0.000 -12.327) 12.942 6.949 ( 3.259 0.000 5.910) 6.749 6.991 ( 2.355 0.000 1.011) 2.563 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 1.311 15.137) 15.193 0.832 ( 0.000 2.803 8.273) 8.735 0.947 ( 0.000 2.609 12.449) 12.719 0.995 ( -0.000 -1.814 -1.946) 2.660 1.287 ( 0.000 2.451 7.800) 8.176 1.365 ( 0.000 2.059 -4.490) 4.940 1.416 ( -0.000 -2.332 0.060) 2.332 1.453 ( -0.000 -1.007 -1.705) 1.981 1.568 ( 0.000 1.052 0.726) 1.278 1.741 ( -0.000 -1.871 -3.877) 4.304 1.906 ( -0.000 -1.532 -2.047) 2.557 2.169 ( -0.000 -0.296 2.291) 2.310 2.193 ( -0.000 -0.628 -2.722) 2.794 2.342 ( 0.000 0.025 -2.103) 2.103 2.344 ( 0.000 0.280 -4.719) 4.727 2.388 ( -0.000 -0.206 -5.491) 5.495 2.830 ( -0.000 -0.575 10.643) 10.659 3.253 ( 0.000 0.262 -4.982) 4.989 3.723 ( 0.000 0.034 0.183) 0.186 3.738 ( 0.000 0.054 -0.312) 0.317 3.782 ( 0.000 0.030 1.126) 1.127 3.856 ( 0.000 0.037 -0.834) 0.835 4.350 ( 0.000 0.074 1.590) 1.592 4.524 ( -0.000 -0.481 9.916) 9.927 4.554 ( 0.000 0.095 -4.530) 4.531 4.723 ( 0.000 0.032 0.339) 0.341 4.762 ( 0.000 0.030 -0.613) 0.614 4.932 ( 0.000 0.025 1.829) 1.829 5.028 ( 0.000 1.357 -3.282) 3.552 5.066 ( -0.000 -1.204 0.294) 1.239 5.146 ( -0.000 -1.199 13.204) 13.259 5.530 ( -0.000 -0.238 3.916) 3.923 6.015 ( 0.000 0.157 6.448) 6.450 6.606 ( 0.000 0.097 -12.794) 12.795 6.987 ( -0.000 -0.191 5.674) 5.677 7.014 ( 0.000 0.076 1.216) 1.219 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 0.000 0.000 12.585) 12.585 0.642 ( 0.000 0.000 -10.154) 10.154 0.715 ( 0.000 0.000 17.346) 17.346 1.008 ( 0.000 0.000 -13.991) 13.991 1.192 ( 0.000 0.000 12.501) 12.501 1.329 ( 0.000 0.000 -4.655) 4.655 1.571 ( 0.000 0.000 1.841) 1.841 1.595 ( 0.000 0.000 -0.882) 0.882 1.654 ( 0.000 0.000 19.599) 19.599 1.970 ( 0.000 0.000 5.740) 5.740 2.022 ( 0.000 0.000 -11.984) 11.984 2.093 ( 0.000 0.000 -10.443) 10.443 2.250 ( 0.000 0.000 2.165) 2.165 2.251 ( 0.000 0.000 1.601) 1.601 2.295 ( 0.000 0.000 -2.473) 2.473 2.296 ( 0.000 0.000 -3.692) 3.692 2.981 ( 0.000 0.000 1.728) 1.728 3.049 ( 0.000 0.000 -5.918) 5.918 3.722 ( 0.000 0.000 0.267) 0.267 3.726 ( 0.000 0.000 -0.180) 0.180 3.803 ( 0.000 0.000 1.537) 1.537 3.830 ( 0.000 0.000 -1.331) 1.331 4.375 ( 0.000 0.000 2.672) 2.672 4.439 ( 0.000 0.000 -4.168) 4.168 4.729 ( 0.000 0.000 0.743) 0.743 4.744 ( 0.000 0.000 -0.815) 0.815 4.856 ( 0.000 0.000 5.176) 5.176 4.932 ( 0.000 0.000 -1.886) 1.886 4.994 ( 0.000 0.000 -0.481) 0.481 5.014 ( 0.000 0.000 -1.391) 1.391 5.627 ( 0.000 0.000 5.225) 5.225 5.721 ( 0.000 0.000 -4.710) 4.710 6.123 ( 0.000 0.000 8.838) 8.838 6.305 ( 0.000 0.000 -10.379) 10.379 7.070 ( 0.000 0.000 4.620) 4.620 7.143 ( 0.000 0.000 -3.199) 3.199 ======================= Grid point 351 (100/147) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 10.936 -1.819 9.546) 14.630 0.696 ( 6.454 -0.839 -2.736) 7.060 0.838 ( 9.960 -1.767 7.903) 12.837 1.052 ( 3.514 -0.816 -11.368) 11.926 1.277 ( 7.960 -0.833 7.877) 11.230 1.364 ( 3.942 -0.126 -3.009) 4.961 1.636 ( 4.072 0.990 2.651) 4.959 1.640 ( 6.257 0.560 0.099) 6.283 1.688 ( 4.861 -0.020 17.718) 18.372 1.952 ( -1.106 1.384 5.633) 5.905 2.027 ( 0.770 0.386 -8.184) 8.229 2.073 ( -1.342 -0.032 -8.438) 8.545 2.177 ( -3.711 -0.012 1.224) 3.907 2.237 ( -0.603 0.108 -6.743) 6.771 2.384 ( 7.854 -0.137 1.483) 7.993 2.422 ( 9.392 0.070 -2.320) 9.675 2.910 ( -5.173 -0.299 4.210) 6.676 3.004 ( -3.942 -0.754 -6.638) 7.757 3.799 ( 6.905 -0.076 0.790) 6.950 3.812 ( 4.863 -0.076 -0.104) 4.864 3.884 ( 5.684 0.104 -1.047) 5.781 3.894 ( 9.940 -0.109 -3.384) 10.501 4.370 ( -0.609 0.033 2.288) 2.368 4.422 ( -2.029 0.083 -3.178) 3.771 4.708 ( -2.693 0.221 1.265) 2.983 4.717 ( -1.770 -0.196 0.012) 1.781 4.884 ( 1.986 0.572 1.948) 2.840 4.918 ( -1.327 -0.232 -0.835) 1.585 5.000 ( 0.913 0.852 -0.431) 1.321 5.012 ( -0.118 -0.979 -1.233) 1.579 5.620 ( -0.454 0.896 5.431) 5.523 5.716 ( -0.123 2.108 -4.681) 5.135 6.099 ( -2.589 -0.327 8.839) 9.216 6.278 ( -3.016 -0.656 -10.145) 10.604 7.046 ( -2.315 0.322 3.511) 4.217 7.087 ( -4.841 0.753 -0.533) 4.929 ======================= Grid point 352 (101/147) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 14.775 0.406 6.017) 15.958 0.864 ( 9.658 -0.358 0.818) 9.699 1.050 ( 10.785 -1.277 0.227) 10.863 1.115 ( 2.641 -0.907 -5.131) 5.841 1.441 ( 7.871 -1.405 1.475) 8.130 1.485 ( 7.552 -2.860 -2.352) 8.411 1.703 ( 4.361 1.392 6.652) 8.075 1.770 ( 6.522 3.179 -3.433) 8.027 1.853 ( 10.834 3.394 14.416) 18.350 1.929 ( -0.185 1.510 4.214) 4.480 2.022 ( 0.340 -2.314 -0.843) 2.486 2.109 ( 3.494 -0.277 -2.317) 4.202 2.135 ( 0.223 -1.408 0.385) 1.476 2.259 ( 4.657 0.148 -12.271) 13.126 2.552 ( 8.715 -0.145 3.176) 9.277 2.616 ( 9.992 0.143 -3.466) 10.577 2.839 ( -1.984 -0.633 4.609) 5.058 2.944 ( -2.261 -1.235 -7.273) 7.716 3.908 ( 5.222 -0.332 1.822) 5.541 3.940 ( 7.276 -0.435 -1.215) 7.390 4.020 ( 7.990 -0.055 0.842) 8.034 4.083 ( 8.822 -0.078 -5.994) 10.666 4.346 ( -2.120 0.144 0.470) 2.176 4.355 ( -4.959 0.056 -0.671) 5.005 4.654 ( -3.774 0.348 0.857) 3.886 4.668 ( -1.824 -0.010 -0.656) 1.938 4.886 ( -1.611 0.233 1.125) 1.979 4.903 ( -0.520 0.013 -0.460) 0.694 5.017 ( 1.646 0.051 0.944) 1.899 5.045 ( 3.028 -0.123 -1.959) 3.609 5.603 ( -0.783 1.223 5.464) 5.654 5.690 ( -1.320 2.919 -3.590) 4.811 6.032 ( -4.540 -0.401 7.995) 9.203 6.198 ( -5.906 -0.964 -9.282) 11.044 6.988 ( -4.706 0.742 1.999) 5.166 6.992 ( -2.932 0.543 1.322) 3.262 ======================= Grid point 353 (102/147) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 5.359 0.129 2.691) 5.999 1.052 ( 9.800 1.576 -0.260) 9.929 1.161 ( 6.292 1.363 3.674) 7.412 1.270 ( 11.280 0.632 -5.933) 12.761 1.602 ( 8.568 -3.156 3.037) 9.623 1.647 ( 7.601 -3.441 -1.328) 8.449 1.762 ( 2.223 5.566 2.029) 6.328 1.805 ( -0.390 5.667 -2.087) 6.052 1.912 ( 0.572 -0.293 3.121) 3.186 1.935 ( 1.237 -1.834 -0.292) 2.232 2.120 ( 1.716 -0.580 5.306) 5.606 2.189 ( 2.358 0.201 -1.812) 2.981 2.255 ( 16.773 -3.460 8.762) 19.237 2.458 ( 14.716 -0.760 -9.313) 17.432 2.664 ( 2.281 -0.033 1.980) 3.021 2.697 ( -1.462 0.232 -1.124) 1.859 2.906 ( 8.144 -0.514 0.647) 8.186 2.959 ( 3.527 -1.274 -5.667) 6.795 3.992 ( 2.591 -0.487 3.189) 4.138 4.059 ( 4.496 -0.654 -3.752) 5.893 4.153 ( 5.161 -0.150 2.212) 5.617 4.222 ( 6.024 -0.101 -3.678) 7.059 4.252 ( -4.947 -0.064 -0.026) 4.947 4.289 ( -3.013 0.123 -2.478) 3.903 4.594 ( -1.511 0.192 3.893) 4.180 4.656 ( 0.476 0.577 -2.740) 2.840 4.854 ( -1.447 0.216 1.393) 2.020 4.881 ( -1.374 0.150 -1.225) 1.846 5.061 ( 2.624 -0.015 2.394) 3.552 5.109 ( 3.430 0.083 -2.766) 4.407 5.579 ( -1.058 1.235 4.776) 5.045 5.638 ( -2.829 2.513 -0.805) 3.869 5.937 ( -5.455 -0.106 5.441) 7.706 6.070 ( -7.934 -0.946 -7.812) 11.174 6.906 ( -3.517 0.574 2.998) 4.657 6.941 ( -2.191 0.758 -0.671) 2.413 ======================= Grid point 354 (103/147) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.694 0.061 2.330) 2.432 1.108 ( -0.004 -0.284 -2.334) 2.351 1.361 ( 12.335 4.352 5.442) 14.167 1.469 ( 10.391 3.081 -5.606) 12.202 1.712 ( -2.355 5.977 0.071) 6.425 1.714 ( -2.709 5.835 0.076) 6.434 1.792 ( 9.400 -3.458 3.533) 10.621 1.830 ( 5.993 -3.659 -0.610) 7.048 1.957 ( 2.940 -2.789 2.545) 4.785 1.988 ( 2.647 -2.696 -1.329) 4.005 2.157 ( 1.935 -1.148 4.577) 5.100 2.220 ( 1.056 0.072 -1.028) 1.476 2.555 ( 6.616 -0.582 6.458) 9.263 2.656 ( -1.566 0.002 -2.912) 3.306 2.674 ( 5.178 -0.929 1.249) 5.407 2.750 ( 14.511 -0.588 -6.620) 15.961 3.046 ( 5.153 -0.644 -1.079) 5.304 3.050 ( 4.415 -0.835 -1.539) 4.750 3.979 ( -3.847 -0.275 3.900) 5.485 4.066 ( -4.383 -0.386 -5.319) 6.903 4.203 ( 2.208 -0.044 1.173) 2.500 4.206 ( 0.411 -0.004 0.796) 0.895 4.303 ( 3.746 0.248 -0.599) 3.801 4.329 ( 5.564 0.039 -3.544) 6.597 4.594 ( 0.993 0.162 5.167) 5.264 4.674 ( 1.466 0.356 -3.342) 3.667 4.840 ( 0.322 0.359 0.795) 0.930 4.862 ( -0.348 0.292 -1.280) 1.358 5.103 ( 1.634 0.037 3.288) 3.672 5.164 ( 2.374 0.171 -3.355) 4.114 5.551 ( -1.780 1.318 3.803) 4.401 5.565 ( -3.205 1.211 2.806) 4.429 5.836 ( -5.095 0.320 1.528) 5.329 5.917 ( -8.505 -0.750 -5.980) 10.424 6.849 ( -2.315 0.447 3.563) 4.273 6.903 ( -1.410 0.787 -2.087) 2.638 ======================= Grid point 355 (104/147) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.581 -0.315 1.807) 1.925 1.094 ( -1.431 -0.538 -1.624) 2.231 1.507 ( 3.600 4.959 4.994) 7.905 1.599 ( 2.396 3.499 -4.345) 6.072 1.648 ( 1.146 3.888 0.400) 4.073 1.657 ( 1.652 3.113 -0.477) 3.556 1.932 ( 2.707 -1.224 1.379) 3.275 1.952 ( 3.798 -2.168 -0.302) 4.384 2.040 ( 6.103 -2.032 4.659) 7.942 2.075 ( 5.068 -3.563 0.044) 6.195 2.207 ( 2.493 -1.052 3.922) 4.765 2.233 ( 0.547 -0.935 1.536) 1.880 2.499 ( -5.802 0.590 0.791) 5.886 2.617 ( -2.057 0.243 -9.365) 9.591 2.895 ( 10.686 -0.604 4.382) 11.566 2.979 ( 8.494 -0.093 -4.583) 9.652 3.102 ( 1.586 -0.702 0.560) 1.823 3.114 ( 1.592 -1.015 -0.579) 1.975 3.897 ( -3.969 -0.021 3.370) 5.207 3.971 ( -4.573 -0.146 -4.428) 6.368 4.228 ( 1.415 0.170 1.461) 2.041 4.254 ( 2.623 0.284 -0.942) 2.801 4.378 ( 4.221 0.317 2.086) 4.719 4.437 ( 5.909 0.201 -4.092) 7.190 4.603 ( -0.584 -0.025 5.374) 5.406 4.692 ( 0.005 0.042 -4.031) 4.031 4.865 ( 2.435 0.338 0.096) 2.460 4.873 ( 1.910 0.250 -0.667) 2.038 5.119 ( 0.121 0.044 4.152) 4.154 5.196 ( 1.156 0.196 -4.288) 4.445 5.477 ( -4.045 0.737 7.392) 8.459 5.538 ( -0.310 0.525 1.101) 1.259 5.748 ( -4.351 0.338 -1.973) 4.789 5.769 ( -6.929 -0.374 -3.849) 7.935 6.813 ( -1.322 0.297 3.937) 4.164 6.879 ( -0.812 0.594 -2.929) 3.097 ======================= Grid point 356 (105/147) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.268 -0.370 0.995) 1.095 1.070 ( -1.003 -0.172 -0.751) 1.265 1.483 ( -1.265 1.999 4.922) 5.461 1.569 ( -1.095 1.357 -3.989) 4.354 1.698 ( 2.795 1.570 0.977) 3.351 1.713 ( 2.357 1.190 -0.263) 2.653 1.955 ( 0.112 -0.264 0.929) 0.973 1.974 ( -0.451 -0.662 -1.089) 1.352 2.160 ( 2.712 -0.923 5.093) 5.844 2.199 ( 6.664 -1.833 4.324) 8.152 2.242 ( 1.182 -0.849 2.283) 2.707 2.265 ( 1.509 -0.049 5.095) 5.314 2.378 ( -6.203 0.404 -2.174) 6.585 2.584 ( -1.068 0.250 -14.103) 14.145 3.027 ( 3.338 0.604 1.337) 3.646 3.047 ( 0.178 -0.074 -1.054) 1.071 3.131 ( 0.573 -0.904 1.362) 1.732 3.153 ( 2.125 -0.363 -0.693) 2.264 3.846 ( -1.397 0.027 3.050) 3.354 3.913 ( -1.572 -0.041 -4.040) 4.336 4.246 ( 0.530 0.109 1.912) 1.987 4.287 ( 0.947 0.209 -2.313) 2.508 4.458 ( 3.926 0.263 3.928) 5.560 4.540 ( 4.444 0.230 -4.854) 6.585 4.569 ( -2.558 -0.169 5.483) 6.052 4.666 ( -2.374 -0.143 -4.628) 5.204 4.913 ( 1.908 0.102 0.045) 1.912 4.916 ( 1.883 0.116 -0.227) 1.900 5.112 ( -0.520 0.017 4.819) 4.847 5.209 ( 0.327 0.096 -5.629) 5.639 5.413 ( -1.992 0.175 10.045) 10.242 5.546 ( 1.231 0.259 -2.804) 3.073 5.644 ( -4.531 -0.251 0.872) 4.621 5.704 ( -1.372 0.198 -4.608) 4.812 6.796 ( -0.434 0.105 4.114) 4.138 6.867 ( -0.275 0.222 -3.302) 3.321 ======================= Grid point 364 (106/147) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 15.480 0.000 5.861) 16.553 0.862 ( 9.843 0.000 1.402) 9.943 1.043 ( 11.805 0.000 0.147) 11.806 1.110 ( 2.558 0.000 -5.480) 6.047 1.434 ( 7.793 0.000 0.921) 7.848 1.470 ( 7.079 0.000 -2.157) 7.401 1.709 ( 4.571 0.000 8.119) 9.317 1.786 ( 7.109 0.000 -3.593) 7.965 1.872 ( 12.356 0.000 14.716) 19.215 1.939 ( 0.837 0.000 5.429) 5.493 2.006 ( -3.591 -0.000 -2.740) 4.516 2.110 ( 5.491 0.000 -4.501) 7.099 2.126 ( -1.411 -0.000 1.986) 2.436 2.260 ( 4.445 0.000 -12.309) 13.087 2.551 ( 8.754 0.000 3.291) 9.352 2.616 ( 10.023 0.000 -3.513) 10.620 2.836 ( -1.943 -0.000 4.402) 4.812 2.938 ( -2.193 -0.000 -7.210) 7.537 3.906 ( 5.192 0.000 1.781) 5.489 3.937 ( 7.225 0.000 -1.227) 7.329 4.019 ( 7.967 0.000 0.848) 8.012 4.083 ( 8.795 0.000 -6.010) 10.652 4.347 ( -2.118 -0.000 0.467) 2.169 4.355 ( -5.009 -0.000 -0.637) 5.049 4.655 ( -4.175 -0.000 0.702) 4.234 4.668 ( -1.325 -0.000 -0.619) 1.463 4.887 ( -1.790 -0.000 1.127) 2.115 4.903 ( -0.396 -0.000 -0.350) 0.529 5.017 ( 1.546 0.000 0.878) 1.777 5.044 ( 3.169 0.000 -1.965) 3.728 5.609 ( -0.896 -0.000 5.695) 5.765 5.705 ( -1.639 -0.000 -4.345) 4.644 6.030 ( -4.456 -0.000 7.828) 9.008 6.193 ( -5.831 -0.000 -9.066) 10.779 6.992 ( -4.918 -0.000 2.007) 5.312 6.995 ( -2.850 -0.000 1.379) 3.166 ======================= Grid point 365 (107/147) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 5.306 -0.058 3.119) 6.155 1.063 ( 8.714 0.647 -1.305) 8.835 1.173 ( 7.819 0.734 3.844) 8.744 1.275 ( 12.623 0.320 -5.255) 13.677 1.580 ( 8.210 -1.195 1.834) 8.497 1.620 ( 8.162 -1.600 -1.744) 8.498 1.800 ( 4.778 2.091 4.774) 7.070 1.858 ( -1.331 4.849 -0.011) 5.029 1.901 ( 1.342 -2.728 -1.432) 3.360 1.920 ( -4.073 -0.482 -1.111) 4.250 2.115 ( 1.712 -0.353 6.834) 7.054 2.190 ( 2.574 0.068 -1.915) 3.209 2.231 ( 18.103 -1.402 9.689) 20.581 2.453 ( 14.679 -0.284 -9.900) 17.708 2.664 ( 2.309 -0.018 2.127) 3.139 2.699 ( -1.494 0.079 -1.162) 1.894 2.902 ( 8.288 -0.171 0.352) 8.297 2.951 ( 3.725 -0.479 -5.495) 6.655 3.988 ( 2.644 -0.176 3.118) 4.091 4.055 ( 4.570 -0.233 -3.722) 5.898 4.152 ( 5.153 -0.056 2.203) 5.604 4.221 ( 6.098 -0.039 -3.755) 7.162 4.251 ( -4.980 -0.024 0.049) 4.980 4.290 ( -3.009 0.043 -2.546) 3.942 4.595 ( -1.485 0.075 4.028) 4.294 4.660 ( 0.422 0.203 -2.861) 2.899 4.855 ( -1.410 0.081 1.388) 1.980 4.882 ( -1.339 0.057 -1.173) 1.781 5.061 ( 2.641 -0.008 2.414) 3.578 5.110 ( 3.460 0.019 -2.808) 4.456 5.587 ( -1.210 0.447 5.114) 5.275 5.655 ( -3.387 0.918 -1.289) 3.738 5.937 ( -5.270 -0.017 4.873) 7.177 6.064 ( -7.809 -0.373 -7.538) 10.860 6.910 ( -3.618 0.220 3.135) 4.792 6.946 ( -2.220 0.274 -0.682) 2.339 ======================= Grid point 366 (108/147) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.655 0.029 2.166) 2.263 1.106 ( -0.291 -0.198 -2.200) 2.228 1.398 ( 12.748 3.005 4.882) 13.978 1.496 ( 10.786 2.086 -4.928) 12.041 1.752 ( 2.229 1.394 1.915) 3.253 1.764 ( 5.753 0.103 0.655) 5.791 1.775 ( -3.289 4.587 0.565) 5.673 1.800 ( 4.197 -1.929 -0.748) 4.680 1.925 ( 3.467 -3.457 2.599) 5.543 1.965 ( 2.659 -1.900 -2.247) 3.967 2.148 ( 1.855 -0.697 5.747) 6.079 2.220 ( 0.769 0.015 -1.025) 1.281 2.549 ( 8.848 -0.431 7.436) 11.565 2.656 ( -1.468 -0.032 -2.341) 2.764 2.667 ( 3.741 -0.448 0.814) 3.855 2.746 ( 14.560 -0.298 -7.490) 16.376 3.041 ( 4.714 -0.354 -1.393) 4.928 3.043 ( 4.999 -0.481 -1.209) 5.165 3.977 ( -3.696 -0.158 3.855) 5.343 4.063 ( -4.214 -0.219 -5.270) 6.751 4.202 ( 2.421 -0.025 1.176) 2.692 4.206 ( 0.390 -0.005 0.785) 0.877 4.305 ( 3.773 0.138 -0.686) 3.837 4.330 ( 5.637 0.020 -3.494) 6.632 4.596 ( 0.921 0.101 5.252) 5.333 4.677 ( 1.307 0.200 -3.398) 3.646 4.842 ( 0.335 0.208 0.757) 0.853 4.864 ( -0.348 0.150 -1.236) 1.292 5.103 ( 1.649 0.023 3.333) 3.718 5.166 ( 2.393 0.092 -3.401) 4.159 5.561 ( -1.431 0.727 3.779) 4.106 5.575 ( -4.305 0.687 3.141) 5.373 5.839 ( -4.933 0.265 0.643) 4.982 5.911 ( -8.389 -0.498 -5.704) 10.157 6.853 ( -2.398 0.268 3.772) 4.478 6.909 ( -1.500 0.440 -2.160) 2.666 ======================= Grid point 367 (109/147) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -0.743 -0.180 1.684) 1.849 1.090 ( -1.324 -0.345 -1.546) 2.064 1.552 ( 3.165 3.950 4.326) 6.659 1.631 ( 2.315 2.750 -3.564) 5.062 1.681 ( -0.437 2.686 0.268) 2.735 1.686 ( -0.140 2.935 -0.278) 2.951 1.921 ( 3.724 -1.011 0.844) 3.950 1.932 ( 5.043 -1.893 0.041) 5.387 2.018 ( 6.077 -2.221 3.267) 7.248 2.042 ( 5.420 -2.878 -0.113) 6.138 2.199 ( 3.143 -0.594 4.863) 5.821 2.225 ( 0.062 -0.572 2.006) 2.087 2.504 ( -5.859 0.406 0.878) 5.939 2.619 ( -1.966 0.145 -8.996) 9.209 2.889 ( 11.402 -0.455 4.511) 12.270 2.978 ( 8.822 -0.077 -4.912) 10.098 3.096 ( 1.584 -0.361 0.373) 1.667 3.104 ( 1.422 -0.825 -0.390) 1.690 3.897 ( -3.900 -0.019 3.341) 5.135 3.970 ( -4.503 -0.111 -4.335) 6.252 4.230 ( 1.445 0.121 1.503) 2.089 4.256 ( 2.715 0.201 -0.983) 2.894 4.381 ( 4.211 0.218 2.028) 4.679 4.439 ( 5.960 0.141 -4.036) 7.200 4.603 ( -0.673 -0.008 5.398) 5.439 4.693 ( -0.122 0.033 -4.051) 4.053 4.869 ( 2.392 0.290 0.002) 2.410 4.875 ( 1.809 0.112 -0.609) 1.912 5.119 ( 0.111 0.035 4.221) 4.223 5.198 ( 1.135 0.139 -4.341) 4.490 5.483 ( -4.436 0.517 7.456) 8.691 5.543 ( -0.450 0.364 1.384) 1.500 5.751 ( -4.929 0.414 -2.565) 5.572 5.765 ( -6.273 -0.429 -3.741) 7.316 6.816 ( -1.412 0.221 4.124) 4.365 6.884 ( -0.970 0.417 -3.007) 3.187 ======================= Grid point 368 (110/147) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.040 -0.279 1.041) 1.078 1.068 ( -0.846 -0.190 -0.837) 1.206 1.505 ( -2.893 2.422 4.570) 5.926 1.583 ( -2.280 1.513 -3.500) 4.442 1.710 ( 1.088 0.791 0.718) 1.525 1.721 ( 1.008 0.408 -0.114) 1.094 1.952 ( 0.375 -0.228 0.661) 0.793 1.967 ( 0.157 -0.712 -0.904) 1.162 2.151 ( 3.921 -0.794 4.501) 6.022 2.181 ( 7.386 -1.665 3.575) 8.373 2.235 ( 1.585 -0.462 2.646) 3.119 2.266 ( 2.663 0.171 5.677) 6.273 2.382 ( -6.453 0.295 -1.783) 6.702 2.587 ( -1.223 0.205 -13.868) 13.924 3.031 ( 3.237 0.252 0.882) 3.364 3.047 ( -0.021 0.201 -0.929) 0.951 3.121 ( 1.165 -0.960 1.822) 2.366 3.150 ( 2.549 -0.172 -0.921) 2.716 3.846 ( -1.416 0.017 3.035) 3.349 3.912 ( -1.534 -0.043 -3.985) 4.270 4.247 ( 0.440 0.094 1.948) 1.999 4.289 ( 0.780 0.183 -2.375) 2.506 4.460 ( 3.819 0.217 3.943) 5.494 4.542 ( 4.356 0.196 -4.823) 6.502 4.567 ( -2.550 -0.149 5.483) 6.049 4.664 ( -2.371 -0.127 -4.649) 5.220 4.914 ( 1.766 0.104 0.028) 1.770 4.917 ( 1.822 0.080 -0.238) 1.839 5.113 ( -0.538 0.013 4.859) 4.888 5.210 ( 0.242 0.078 -5.663) 5.669 5.415 ( -2.182 0.139 10.077) 10.312 5.548 ( 1.074 0.217 -2.806) 3.012 5.642 ( -4.399 -0.198 1.033) 4.523 5.706 ( -1.535 0.166 -4.821) 5.063 6.797 ( -0.537 0.089 4.192) 4.227 6.869 ( -0.485 0.182 -3.336) 3.376 ======================= Grid point 369 (111/147) ======================= q-point: (-0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.495 0.386 0.887) 1.086 1.071 ( 1.300 0.083 -0.606) 1.437 1.468 ( -0.599 -1.062 5.205) 5.346 1.558 ( -0.182 -0.871 -4.112) 4.207 1.681 ( -4.206 -1.915 1.007) 4.730 1.698 ( -3.602 -1.782 -0.567) 4.059 1.957 ( 0.194 0.232 1.160) 1.198 1.979 ( 0.977 0.493 -1.205) 1.628 2.168 ( -1.524 0.729 5.638) 5.885 2.214 ( -6.905 1.224 6.610) 9.636 2.252 ( -0.499 1.283 1.519) 2.050 2.267 ( 0.135 0.493 3.518) 3.555 2.374 ( 5.909 -0.472 -2.569) 6.461 2.582 ( 0.875 -0.236 -14.345) 14.373 3.021 ( -3.217 -0.579 1.695) 3.682 3.047 ( -0.537 0.008 -1.444) 1.541 3.139 ( 0.023 0.721 1.262) 1.454 3.157 ( -1.698 0.462 -0.484) 1.825 3.845 ( 1.376 -0.032 3.062) 3.357 3.913 ( 1.612 0.027 -4.099) 4.404 4.245 ( -0.627 -0.098 1.879) 1.983 4.285 ( -1.129 -0.185 -2.249) 2.523 4.455 ( -4.043 -0.249 3.912) 5.631 4.538 ( -4.553 -0.213 -4.922) 6.708 4.571 ( 2.590 0.152 5.511) 6.091 4.667 ( 2.381 0.126 -4.604) 5.184 4.912 ( -2.023 -0.073 0.041) 2.024 4.914 ( -1.996 -0.127 -0.196) 2.010 5.112 ( 0.505 -0.018 4.779) 4.805 5.208 ( -0.416 -0.092 -5.590) 5.606 5.411 ( 1.787 -0.171 10.011) 10.171 5.543 ( -1.392 -0.242 -2.813) 3.148 5.646 ( 4.679 0.249 0.702) 4.738 5.702 ( 1.183 -0.187 -4.371) 4.532 6.795 ( 0.329 -0.097 4.030) 4.044 6.865 ( 0.049 -0.210 -3.264) 3.271 ======================= Grid point 370 (112/147) ======================= q-point: (-0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.417 0.420 1.965) 2.052 1.100 ( 1.533 0.658 -1.704) 2.384 1.459 ( -4.282 -4.779 5.728) 8.602 1.565 ( -2.893 -3.341 -5.166) 6.799 1.610 ( -2.474 -3.822 0.808) 4.624 1.627 ( -2.672 -2.991 -0.948) 4.121 1.944 ( -1.928 1.126 1.846) 2.897 1.972 ( -2.444 1.909 -0.799) 3.202 2.056 ( -6.673 1.398 6.625) 9.506 2.108 ( -4.343 3.083 0.135) 5.328 2.219 ( -2.019 1.415 2.873) 3.786 2.243 ( -1.236 1.172 0.899) 1.926 2.493 ( 5.762 -0.660 0.676) 5.839 2.615 ( 2.148 -0.305 -9.804) 10.041 2.901 ( -9.793 0.605 4.219) 10.680 2.979 ( -8.096 0.075 -4.210) 9.126 3.109 ( -1.644 0.870 0.652) 1.971 3.124 ( -1.731 1.005 -0.663) 2.108 3.898 ( 4.051 0.015 3.401) 5.290 3.973 ( 4.658 0.141 -4.539) 6.506 4.226 ( -1.379 -0.178 1.410) 1.980 4.251 ( -2.521 -0.304 -0.890) 2.691 4.375 ( -4.233 -0.347 2.157) 4.764 4.435 ( -5.848 -0.217 -4.165) 7.183 4.603 ( 0.485 0.044 5.344) 5.366 4.692 ( -0.153 -0.039 -4.000) 4.003 4.862 ( -2.509 -0.295 0.128) 2.530 4.870 ( -2.024 -0.358 -0.658) 2.158 5.119 ( -0.129 -0.039 4.068) 4.071 5.194 ( -1.182 -0.208 -4.219) 4.386 5.469 ( 3.583 -0.794 7.330) 8.197 5.533 ( 0.117 -0.570 0.772) 0.967 5.745 ( 3.966 -0.243 -1.387) 4.208 5.772 ( 7.416 0.300 -3.880) 8.375 6.810 ( 1.225 -0.294 3.698) 3.907 6.873 ( 0.616 -0.641 -2.821) 2.958 ======================= Grid point 371 (113/147) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -0.933 -0.137 2.519) 2.690 1.111 ( -0.482 0.228 -2.502) 2.558 1.318 ( -11.399 -4.182 6.131) 13.603 1.439 ( -9.651 -3.041 -6.225) 11.880 1.647 ( 1.690 -6.589 0.593) 6.828 1.661 ( 1.669 -5.322 -0.811) 5.636 1.825 ( -8.843 3.162 4.552) 10.436 1.867 ( -5.565 3.965 -0.182) 6.835 1.978 ( -2.694 1.452 2.747) 4.112 2.017 ( -3.417 3.031 -1.136) 4.706 2.169 ( -2.223 1.254 3.322) 4.189 2.218 ( -1.493 -0.210 -0.943) 1.778 2.560 ( -3.758 0.425 5.148) 6.388 2.656 ( 1.667 -0.100 -3.759) 4.113 2.685 ( -7.078 1.345 1.895) 7.450 2.757 ( -14.295 0.789 -5.439) 15.316 3.053 ( -5.446 0.786 -0.825) 5.564 3.059 ( -3.943 0.996 -1.818) 4.454 3.982 ( 4.058 0.322 3.962) 5.681 4.070 ( 4.631 0.461 -5.393) 7.124 4.203 ( -1.906 0.053 1.161) 2.233 4.206 ( -0.438 -0.004 0.814) 0.924 4.301 ( -3.705 -0.304 -0.474) 3.748 4.329 ( -5.465 -0.052 -3.613) 6.551 4.593 ( -1.088 -0.164 5.036) 5.155 4.671 ( -1.704 -0.435 -3.248) 3.694 4.836 ( -0.316 -0.416 0.825) 0.976 4.858 ( 0.370 -0.401 -1.316) 1.424 5.103 ( -1.617 -0.039 3.218) 3.602 5.162 ( -2.364 -0.223 -3.283) 4.051 5.536 ( 2.026 -1.689 3.925) 4.729 5.552 ( 1.914 -1.392 2.359) 3.342 5.833 ( 5.296 -0.225 2.542) 5.879 5.925 ( 8.681 0.762 -6.247) 10.723 6.845 ( 2.216 -0.487 3.241) 3.957 6.894 ( 1.281 -0.967 -1.959) 2.533 ======================= Grid point 372 (114/147) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -6.620 -1.449 2.375) 7.181 1.038 ( -9.319 -0.897 0.225) 9.365 1.150 ( -4.758 -0.916 3.963) 6.259 1.265 ( -9.153 -0.185 -6.450) 11.199 1.635 ( -8.559 2.684 5.040) 10.289 1.674 ( -4.784 0.933 0.335) 4.886 1.699 ( -0.855 -6.669 0.133) 6.725 1.760 ( -2.624 -2.212 -4.446) 5.617 1.917 ( -3.222 0.731 4.939) 5.942 1.948 ( -2.898 0.733 0.246) 2.999 2.125 ( -2.164 0.378 4.092) 4.644 2.186 ( -1.978 -0.323 -1.610) 2.571 2.293 ( -15.358 4.119 7.356) 17.520 2.467 ( -14.763 1.015 -8.319) 16.976 2.664 ( -2.258 0.005 1.720) 2.838 2.694 ( 1.373 -0.367 -1.061) 1.773 2.912 ( -7.903 0.790 1.127) 8.022 2.974 ( -3.175 1.696 -5.926) 6.934 3.998 ( -2.496 0.683 3.319) 4.209 4.067 ( -4.355 0.951 -3.822) 5.871 4.155 ( -5.179 0.200 2.218) 5.638 4.223 ( -5.904 0.116 -3.546) 6.888 4.253 ( 4.877 0.087 -0.155) 4.880 4.288 ( 3.022 -0.178 -2.359) 3.838 4.592 ( 1.566 -0.222 3.631) 3.961 4.649 ( -0.580 -0.857 -2.490) 2.697 4.851 ( 1.529 -0.283 1.406) 2.096 4.879 ( 1.456 -0.197 -1.305) 1.965 5.061 ( -2.606 0.006 2.331) 3.497 5.108 ( -3.419 -0.196 -2.680) 4.348 5.564 ( 0.780 -1.773 4.236) 4.658 5.608 ( 1.944 -3.417 0.088) 3.932 5.939 ( 5.743 0.241 6.234) 8.480 6.081 ( 8.135 1.171 -8.185) 11.599 6.900 ( 3.367 -0.718 2.726) 4.391 6.932 ( 2.151 -1.068 -0.624) 2.482 ======================= Grid point 373 (115/147) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -12.800 0.259 5.982) 14.131 0.869 ( -9.115 0.647 -0.430) 9.148 1.065 ( -8.002 1.718 0.809) 8.225 1.129 ( -3.087 1.983 -4.356) 5.696 1.461 ( -8.311 2.663 2.793) 9.164 1.522 ( -8.286 4.636 -2.635) 9.853 1.679 ( -3.692 -3.743 2.908) 6.008 1.725 ( -5.449 -5.846 -2.705) 8.437 1.820 ( -8.563 -2.786 14.383) 16.970 1.913 ( -0.807 -1.850 2.813) 3.463 2.039 ( -4.433 0.940 1.605) 4.808 2.121 ( -2.462 1.981 -0.978) 3.308 2.149 ( -0.862 1.385 -0.071) 1.632 2.257 ( -5.285 -0.185 -12.148) 13.249 2.553 ( -8.626 0.173 2.873) 9.094 2.613 ( -9.908 -0.305 -3.346) 10.463 2.848 ( 2.087 1.134 5.152) 5.673 2.960 ( 2.433 2.080 -7.427) 8.087 3.913 ( -5.305 0.593 1.939) 5.679 3.946 ( -7.424 0.791 -1.178) 7.558 4.021 ( -8.046 0.096 0.795) 8.086 4.084 ( -8.914 0.061 -5.932) 10.708 4.344 ( 2.124 -0.234 0.472) 2.189 4.354 ( 4.838 -0.111 -0.762) 4.899 4.649 ( 3.093 -0.588 1.281) 3.399 4.668 ( 2.776 0.007 -0.740) 2.873 4.884 ( 1.304 -0.252 1.101) 1.725 4.902 ( 0.703 -0.051 -0.692) 0.987 5.016 ( -1.844 -0.092 1.052) 2.125 5.046 ( -2.766 -0.006 -1.928) 3.372 5.586 ( 0.419 -2.267 4.939) 5.451 5.652 ( 0.647 -4.659 -1.738) 5.014 6.038 ( 4.745 0.704 8.384) 9.659 6.210 ( 6.074 1.489 -9.752) 11.585 6.978 ( 4.404 -1.112 1.956) 4.946 6.985 ( 2.946 -0.945 1.172) 3.309 ======================= Grid point 374 (116/147) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -8.388 5.096 8.496) 12.981 0.711 ( -5.673 2.312 -2.706) 6.697 0.871 ( -9.563 4.660 7.516) 13.025 1.067 ( -3.094 2.252 -10.448) 11.127 1.293 ( -7.869 2.325 7.124) 10.866 1.367 ( -5.000 0.584 -2.010) 5.420 1.619 ( -4.584 -2.465 1.475) 5.410 1.626 ( -5.307 -2.339 -0.464) 5.818 1.690 ( -4.055 0.280 18.679) 19.116 1.928 ( 0.592 -3.507 3.254) 4.820 2.015 ( -0.258 -2.044 -4.198) 4.676 2.077 ( 0.165 0.908 -9.810) 9.853 2.178 ( 3.321 0.042 1.091) 3.496 2.235 ( 0.683 -0.332 -6.635) 6.679 2.386 ( -7.832 0.267 1.173) 7.924 2.420 ( -9.428 -0.215 -2.230) 9.690 2.916 ( 4.967 0.862 4.760) 6.933 3.018 ( 4.017 1.953 -6.766) 8.107 3.800 ( -7.017 0.206 0.812) 7.067 3.814 ( -5.013 0.212 -0.085) 5.018 3.883 ( -6.336 -0.201 -1.063) 6.428 3.896 ( -9.239 0.187 -3.231) 9.790 4.370 ( 0.680 -0.066 2.198) 2.302 4.420 ( 2.035 -0.208 -3.206) 3.803 4.705 ( 2.862 -0.410 1.826) 3.420 4.720 ( 1.679 0.332 -0.132) 1.716 4.875 ( -2.167 -1.142 2.198) 3.291 4.921 ( 1.211 0.192 -1.822) 2.196 4.992 ( -0.902 -0.612 0.853) 1.384 5.022 ( 0.196 0.890 -1.775) 1.995 5.602 ( 0.092 -2.725 5.263) 5.927 5.679 ( -0.150 -4.908 -2.482) 5.502 6.105 ( 2.656 0.865 9.019) 9.442 6.290 ( 3.104 1.562 -10.668) 11.220 7.040 ( 2.300 -0.808 3.184) 4.010 7.074 ( 4.408 -1.790 -0.060) 4.758 ======================= Grid point 375 (117/147) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 7.146 10.772) 12.927 0.656 ( 0.000 2.746 -9.384) 9.778 0.731 ( 0.000 3.270 16.862) 17.176 1.018 ( 0.000 1.986 -13.730) 13.873 1.200 ( 0.000 1.637 12.011) 12.122 1.326 ( -0.000 -0.543 -3.961) 3.998 1.565 ( -0.000 -1.086 1.720) 2.035 1.588 ( -0.000 -1.420 -0.821) 1.640 1.657 ( 0.000 0.544 19.414) 19.421 1.954 ( -0.000 -3.199 3.599) 4.816 2.021 ( -0.000 -0.631 -8.334) 8.358 2.090 ( -0.000 -0.438 -12.240) 12.248 2.248 ( -0.000 -0.587 1.796) 1.890 2.249 ( -0.000 -0.321 2.245) 2.268 2.295 ( -0.000 -0.058 -2.532) 2.533 2.299 ( 0.000 0.428 -3.854) 3.877 2.981 ( 0.000 0.036 2.290) 2.290 3.057 ( 0.000 1.602 -6.143) 6.348 3.722 ( 0.000 0.060 0.268) 0.274 3.727 ( 0.000 0.073 -0.187) 0.201 3.803 ( 0.000 0.049 1.536) 1.537 3.830 ( 0.000 0.055 -1.335) 1.336 4.375 ( 0.000 0.030 2.622) 2.622 4.438 ( -0.000 -0.117 -4.164) 4.166 4.729 ( 0.000 0.045 0.740) 0.741 4.744 ( 0.000 0.044 -0.817) 0.819 4.849 ( -0.000 -1.294 5.540) 5.689 4.934 ( 0.000 0.182 -2.686) 2.692 4.989 ( -0.000 -0.784 0.773) 1.101 5.022 ( 0.000 1.103 -1.888) 2.186 5.616 ( -0.000 -2.249 5.232) 5.695 5.699 ( -0.000 -4.094 -3.231) 5.216 6.126 ( 0.000 0.684 8.942) 8.968 6.312 ( 0.000 1.293 -10.746) 10.823 7.067 ( -0.000 -0.628 4.381) 4.425 7.133 ( -0.000 -1.984 -2.558) 3.237 ======================= Grid point 378 (118/147) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.663 0.000 2.099) 2.201 1.105 ( -0.386 -0.000 -2.146) 2.181 1.414 ( 12.847 0.000 4.657) 13.665 1.506 ( 10.909 0.000 -4.600) 11.839 1.746 ( 9.220 0.000 2.677) 9.601 1.772 ( 7.656 0.000 -0.541) 7.675 1.789 ( -4.639 -0.000 0.864) 4.718 1.809 ( -5.372 -0.000 -1.118) 5.487 1.903 ( 4.870 0.000 3.089) 5.767 1.955 ( 2.944 0.000 -2.928) 4.152 2.145 ( 1.861 0.000 6.240) 6.511 2.220 ( 0.669 0.000 -1.014) 1.215 2.547 ( 9.670 0.000 7.787) 12.416 2.656 ( -1.427 -0.000 -2.162) 2.591 2.665 ( 3.235 0.000 0.688) 3.308 2.745 ( 14.550 0.000 -7.804) 16.511 3.039 ( 4.387 0.000 -1.605) 4.672 3.041 ( 5.381 0.000 -0.993) 5.471 3.976 ( -3.642 -0.000 3.839) 5.292 4.062 ( -4.153 -0.000 -5.253) 6.696 4.202 ( 2.498 0.000 1.176) 2.761 4.206 ( 0.383 0.000 0.782) 0.871 4.306 ( 3.782 0.000 -0.718) 3.850 4.330 ( 5.663 0.000 -3.476) 6.645 4.596 ( 0.894 0.000 5.282) 5.357 4.678 ( 1.251 0.000 -3.416) 3.638 4.843 ( 0.341 0.000 0.740) 0.815 4.864 ( -0.352 -0.000 -1.216) 1.266 5.103 ( 1.656 0.000 3.347) 3.734 5.166 ( 2.402 0.000 -3.417) 4.176 5.564 ( -1.274 -0.000 3.782) 3.990 5.578 ( -4.735 -0.000 3.269) 5.754 5.840 ( -4.867 -0.000 0.277) 4.875 5.909 ( -8.353 -0.000 -5.577) 10.044 6.854 ( -2.430 -0.000 3.844) 4.548 6.911 ( -1.532 -0.000 -2.183) 2.667 ======================= Grid point 379 (119/147) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.845 -0.056 1.615) 1.824 1.087 ( -1.250 -0.118 -1.495) 1.952 1.580 ( 2.964 1.559 3.899) 5.140 1.650 ( 2.514 1.051 -3.018) 4.066 1.699 ( -1.823 1.017 0.471) 2.140 1.708 ( -1.731 1.251 -0.446) 2.182 1.914 ( 5.180 -0.480 0.579) 5.234 1.919 ( 5.193 -0.708 -0.046) 5.241 2.000 ( 6.697 -1.148 2.890) 7.383 2.023 ( 5.374 -1.035 -0.375) 5.486 2.195 ( 3.557 -0.184 5.387) 6.458 2.222 ( -0.175 -0.191 2.238) 2.253 2.507 ( -5.899 0.145 0.925) 5.973 2.620 ( -1.907 0.047 -8.785) 8.990 2.886 ( 11.792 -0.171 4.584) 12.652 2.977 ( 9.011 -0.029 -5.108) 10.359 3.095 ( 1.743 0.024 0.101) 1.746 3.098 ( 1.163 -0.445 -0.110) 1.250 3.897 ( -3.861 -0.008 3.323) 5.094 3.969 ( -4.464 -0.041 -4.282) 6.186 4.230 ( 1.463 0.044 1.527) 2.115 4.258 ( 2.769 0.072 -1.005) 2.947 4.382 ( 4.204 0.077 1.995) 4.654 4.440 ( 5.989 0.050 -4.007) 7.206 4.603 ( -0.726 -0.001 5.410) 5.459 4.693 ( -0.196 0.012 -4.060) 4.064 4.871 ( 2.408 0.127 -0.097) 2.413 4.876 ( 1.716 0.016 -0.531) 1.796 5.120 ( 0.105 0.013 4.259) 4.261 5.199 ( 1.124 0.050 -4.370) 4.513 5.486 ( -4.662 0.186 7.497) 8.830 5.545 ( -0.519 0.129 1.548) 1.638 5.756 ( -5.980 0.431 -3.053) 6.728 5.760 ( -5.181 -0.433 -3.536) 6.288 6.818 ( -1.466 0.082 4.225) 4.473 6.887 ( -1.058 0.150 -3.048) 3.230 ======================= Grid point 380 (120/147) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.120 -0.145 1.043) 1.060 1.066 ( -0.797 -0.124 -0.871) 1.187 1.527 ( -3.999 1.796 4.252) 6.107 1.596 ( -3.172 1.018 -2.862) 4.393 1.715 ( -0.229 0.282 0.386) 0.530 1.721 ( -0.113 -0.193 -0.149) 0.269 1.950 ( 0.492 -0.093 0.404) 0.644 1.961 ( 0.768 -0.522 -0.685) 1.154 2.145 ( 4.734 -0.429 4.057) 6.250 2.168 ( 8.405 -0.937 3.606) 9.194 2.232 ( 1.865 -0.196 2.815) 3.382 2.267 ( 3.245 0.146 5.675) 6.539 2.384 ( -6.617 0.158 -1.486) 6.784 2.588 ( -1.318 0.115 -13.696) 13.760 3.032 ( 2.675 -0.066 0.684) 2.762 3.050 ( 0.219 0.386 -1.424) 1.492 3.113 ( 1.701 -0.682 2.600) 3.181 3.149 ( 2.832 -0.050 -1.093) 3.036 3.846 ( -1.430 0.007 3.022) 3.344 3.912 ( -1.507 -0.028 -3.945) 4.223 4.248 ( 0.377 0.055 1.976) 2.012 4.291 ( 0.663 0.107 -2.420) 2.511 4.462 ( 3.746 0.122 3.954) 5.448 4.544 ( 4.313 0.115 -4.839) 6.483 4.566 ( -2.568 -0.089 5.517) 6.087 4.663 ( -2.370 -0.075 -4.662) 5.231 4.915 ( 1.632 0.070 0.001) 1.633 4.917 ( 1.819 0.036 -0.231) 1.834 5.113 ( -0.553 0.007 4.888) 4.919 5.210 ( 0.181 0.043 -5.686) 5.689 5.416 ( -2.315 0.077 10.100) 10.362 5.550 ( 0.958 0.123 -2.813) 2.974 5.640 ( -4.307 -0.108 1.147) 4.459 5.707 ( -1.644 0.094 -4.968) 5.234 6.798 ( -0.612 0.051 4.245) 4.290 6.870 ( -0.633 0.103 -3.360) 3.421 ======================= Grid point 381 (121/147) ======================= q-point: (-0.62 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.603 0.315 0.727) 0.996 1.071 ( 1.714 -0.017 -0.422) 1.765 1.462 ( -2.318 -0.206 5.381) 5.863 1.552 ( -1.313 -0.447 -3.783) 4.029 1.664 ( -4.988 -1.361 0.612) 5.206 1.680 ( -4.495 -1.882 -0.817) 4.941 1.959 ( 0.461 0.164 1.319) 1.407 1.983 ( 1.376 0.291 -1.256) 1.886 2.173 ( -0.686 0.398 5.980) 6.032 2.222 ( -7.429 0.469 9.142) 11.789 2.265 ( 0.299 1.267 0.778) 1.516 2.274 ( 1.417 0.689 1.858) 2.437 2.369 ( 5.635 -0.437 -2.910) 6.358 2.580 ( 0.692 -0.168 -14.541) 14.559 3.016 ( -3.128 -0.382 1.857) 3.658 3.047 ( -0.775 -0.086 -1.781) 1.944 3.145 ( 0.571 0.501 1.312) 1.516 3.161 ( -1.426 0.354 -0.319) 1.504 3.845 ( 1.360 -0.027 3.070) 3.358 3.913 ( 1.644 0.012 -4.146) 4.460 4.245 ( -0.708 -0.067 1.854) 1.986 4.284 ( -1.282 -0.124 -2.198) 2.547 4.453 ( -4.143 -0.178 3.897) 5.691 4.536 ( -4.649 -0.150 -4.991) 6.822 4.572 ( 2.627 0.105 5.542) 6.134 4.668 ( 2.389 0.084 -4.581) 5.167 4.912 ( -2.073 -0.031 0.016) 2.074 4.913 ( -2.144 -0.110 -0.151) 2.152 5.112 ( 0.496 -0.013 4.747) 4.773 5.207 ( -0.488 -0.067 -5.556) 5.578 5.410 ( 1.614 -0.125 9.983) 10.113 5.541 ( -1.521 -0.170 -2.828) 3.215 5.648 ( 4.814 0.185 0.558) 4.850 5.700 ( 1.008 -0.133 -4.166) 4.288 6.794 ( 0.246 -0.067 3.958) 3.966 6.863 ( -0.140 -0.150 -3.230) 3.237 ======================= Grid point 382 (122/147) ======================= q-point: (-0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.296 0.422 2.128) 2.189 1.106 ( 1.615 0.638 -1.773) 2.482 1.417 ( -5.098 -3.723 6.392) 8.984 1.536 ( -3.524 -2.560 -5.883) 7.320 1.576 ( -3.416 -2.983 1.145) 4.678 1.600 ( -3.019 -2.387 -1.339) 4.075 1.954 ( -1.408 0.836 2.189) 2.734 1.989 ( -1.299 1.395 -1.324) 2.321 2.067 ( -7.263 0.743 8.409) 11.136 2.133 ( -3.405 2.064 0.266) 3.990 2.233 ( -2.080 1.465 2.003) 3.238 2.254 ( -1.932 1.072 0.345) 2.237 2.487 ( 5.765 -0.586 0.558) 5.821 2.612 ( 2.217 -0.290 -10.216) 10.457 2.906 ( -8.935 0.484 4.053) 9.824 2.980 ( -7.706 0.041 -3.873) 8.624 3.118 ( -1.739 0.793 0.662) 2.022 3.133 ( -1.812 0.796 -0.658) 2.086 3.898 ( 4.127 0.007 3.428) 5.365 3.974 ( 4.739 0.106 -4.641) 6.634 4.225 ( -1.348 -0.147 1.360) 1.920 4.248 ( -2.434 -0.253 -0.838) 2.587 4.371 ( -4.244 -0.295 2.224) 4.800 4.433 ( -5.792 -0.182 -4.239) 7.179 4.604 ( 0.401 0.051 5.313) 5.328 4.692 ( -0.287 -0.027 -3.962) 3.973 4.860 ( -2.583 -0.175 0.078) 2.590 4.867 ( -2.143 -0.392 -0.572) 2.252 5.118 ( -0.135 -0.026 3.988) 3.990 5.192 ( -1.208 -0.172 -4.149) 4.325 5.462 ( 3.154 -0.667 7.285) 7.967 5.528 ( -0.083 -0.481 0.475) 0.681 5.743 ( 3.728 -0.150 -0.898) 3.838 5.774 ( 7.755 0.211 -3.873) 8.671 6.808 ( 1.148 -0.226 3.457) 3.650 6.867 ( 0.424 -0.542 -2.706) 2.792 ======================= Grid point 383 (123/147) ======================= q-point: (-0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -1.497 -0.270 2.696) 3.095 1.112 ( -1.146 0.089 -2.675) 2.911 1.282 ( -9.839 -3.083 6.757) 12.328 1.412 ( -8.615 -2.430 -6.522) 11.075 1.587 ( 0.515 -5.459 0.885) 5.554 1.612 ( 0.830 -4.616 -1.496) 4.923 1.851 ( -8.220 2.202 5.710) 10.248 1.905 ( -4.879 3.631 0.160) 6.084 1.987 ( -2.550 0.460 3.003) 3.966 2.046 ( -4.240 2.827 -1.694) 5.370 2.181 ( -2.663 1.103 2.327) 3.704 2.215 ( -2.014 -0.423 -0.667) 2.163 2.563 ( -1.269 0.183 3.943) 4.147 2.654 ( 1.721 -0.181 -4.589) 4.904 2.699 ( -8.679 1.450 2.443) 9.132 2.765 ( -13.948 0.797 -4.287) 14.614 3.060 ( -5.625 0.745 -0.635) 5.710 3.069 ( -3.603 0.931 -2.039) 4.243 3.985 ( 4.282 0.293 4.028) 5.886 4.075 ( 4.906 0.431 -5.480) 7.368 4.204 ( -1.586 0.054 1.134) 1.951 4.206 ( -0.464 -0.018 0.840) 0.960 4.298 ( -3.661 -0.291 -0.342) 3.688 4.328 ( -5.362 -0.054 -3.687) 6.508 4.591 ( -1.179 -0.120 4.882) 5.024 4.666 ( -1.980 -0.417 -3.125) 3.723 4.832 ( -0.325 -0.372 0.821) 0.959 4.854 ( 0.421 -0.433 -1.316) 1.448 5.102 ( -1.602 -0.030 3.133) 3.519 5.160 ( -2.374 -0.228 -3.196) 3.988 5.519 ( 1.889 -1.695 4.147) 4.862 5.539 ( 0.967 -1.226 1.911) 2.468 5.831 ( 5.491 -0.109 3.411) 6.465 5.932 ( 8.867 0.624 -6.442) 10.978 6.840 ( 2.137 -0.397 2.859) 3.591 6.885 ( 1.140 -0.940 -1.782) 2.315 ======================= Grid point 384 (124/147) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -7.880 -2.037 2.825) 8.615 1.033 ( -7.697 -0.360 -1.212) 7.800 1.146 ( -3.736 0.218 5.077) 6.307 1.267 ( -6.944 0.516 -6.383) 9.446 1.610 ( -2.714 -6.838 2.838) 7.885 1.642 ( -0.875 -5.609 -0.855) 5.740 1.687 ( -6.574 2.849 4.539) 8.481 1.774 ( -6.682 3.782 -4.314) 8.807 1.926 ( -4.344 1.164 4.011) 6.026 1.951 ( -4.471 -0.049 0.602) 4.512 2.127 ( -2.799 0.069 3.532) 4.507 2.182 ( -1.528 -0.393 -1.333) 2.066 2.332 ( -14.512 3.774 6.050) 16.169 2.477 ( -14.787 1.022 -7.180) 16.470 2.664 ( -2.258 -0.034 1.394) 2.654 2.690 ( 1.199 -0.466 -0.984) 1.620 2.920 ( -7.620 0.886 1.649) 7.847 2.991 ( -2.766 1.705 -6.179) 6.982 4.005 ( -2.373 0.724 3.485) 4.278 4.077 ( -4.159 1.060 -3.932) 5.821 4.156 ( -5.208 0.196 2.207) 5.660 4.224 ( -5.790 0.079 -3.395) 6.712 4.254 ( 4.777 0.086 -0.299) 4.788 4.286 ( 3.037 -0.195 -2.215) 3.765 4.590 ( 1.662 -0.146 3.261) 3.663 4.640 ( -0.730 -0.996 -2.108) 2.443 4.848 ( 1.656 -0.275 1.428) 2.204 4.877 ( 1.591 -0.196 -1.382) 2.117 5.061 ( -2.606 -0.010 2.204) 3.413 5.105 ( -3.476 -0.317 -2.555) 4.325 5.545 ( 0.372 -2.115 3.795) 4.360 5.574 ( 1.090 -3.268 1.047) 3.600 5.942 ( 6.037 0.319 6.957) 9.217 6.092 ( 8.350 1.097 -8.515) 11.977 6.893 ( 3.228 -0.634 2.342) 4.038 6.921 ( 2.124 -1.151 -0.507) 2.468 ======================= Grid point 385 (125/147) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -9.942 1.501 5.189) 11.314 0.876 ( -8.278 0.920 -1.652) 8.491 1.082 ( -4.871 1.955 2.297) 5.729 1.153 ( -3.456 3.016 -3.621) 5.843 1.486 ( -8.697 1.900 4.662) 10.049 1.572 ( -8.471 5.418 -2.743) 10.423 1.632 ( -2.833 -5.409 0.029) 6.106 1.662 ( -5.006 -6.776 -2.220) 8.712 1.803 ( -7.562 -0.790 12.863) 14.942 1.893 ( -2.419 -2.195 1.570) 3.624 2.041 ( -6.116 -0.236 4.018) 7.321 2.144 ( -3.168 2.541 -0.384) 4.079 2.161 ( -0.658 1.073 -0.038) 1.259 2.256 ( -6.258 -0.073 -11.902) 13.447 2.555 ( -8.534 0.116 2.463) 8.884 2.610 ( -9.791 -0.473 -3.187) 10.308 2.860 ( 2.195 1.357 5.857) 6.400 2.982 ( 2.641 2.357 -7.604) 8.388 3.919 ( -5.416 0.731 2.115) 5.860 3.954 ( -7.656 0.999 -1.099) 7.799 4.022 ( -8.099 0.124 0.628) 8.125 4.084 ( -9.098 -0.095 -5.789) 10.784 4.342 ( 2.144 -0.248 0.463) 2.208 4.353 ( 4.692 -0.144 -0.876) 4.775 4.643 ( 2.621 -0.684 1.886) 3.300 4.668 ( 3.630 0.015 -0.833) 3.724 4.882 ( 1.104 -0.090 1.032) 1.513 4.902 ( 0.786 -0.075 -0.873) 1.177 5.015 ( -2.047 -0.144 1.026) 2.294 5.044 ( -2.582 -0.346 -1.852) 3.196 5.559 ( -0.366 -3.302 4.721) 5.773 5.606 ( 0.307 -4.434 0.079) 4.445 6.045 ( 4.983 0.818 8.814) 10.158 6.225 ( 6.239 1.534 -10.202) 12.056 6.967 ( 4.140 -1.080 1.822) 4.650 6.975 ( 2.963 -1.071 1.018) 3.311 ======================= Grid point 386 (126/147) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -4.913 7.299 6.448) 10.908 0.739 ( -4.394 3.249 -2.345) 5.947 0.924 ( -8.643 6.130 7.048) 12.726 1.094 ( -2.311 3.332 -8.733) 9.629 1.320 ( -7.248 3.031 5.858) 9.800 1.377 ( -7.144 1.569 -0.404) 7.325 1.588 ( -4.038 -3.762 0.466) 5.538 1.596 ( -4.458 -3.727 -0.595) 5.841 1.693 ( -3.365 0.361 18.140) 18.453 1.887 ( -0.288 -4.740 1.408) 4.953 1.989 ( -0.724 -3.210 -1.776) 3.740 2.090 ( -0.669 1.601 -9.836) 9.988 2.178 ( 2.747 0.128 0.981) 2.920 2.230 ( 0.779 -0.535 -6.406) 6.475 2.389 ( -7.851 0.189 0.728) 7.887 2.418 ( -9.470 -0.352 -2.111) 9.709 2.926 ( 4.684 1.226 5.657) 7.447 3.040 ( 4.053 2.492 -6.931) 8.407 3.803 ( -7.213 0.281 0.848) 7.268 3.816 ( -5.301 0.301 -0.058) 5.310 3.881 ( -6.896 -0.201 -0.983) 6.969 3.897 ( -8.542 0.108 -3.043) 9.068 4.369 ( 0.812 -0.033 2.052) 2.207 4.418 ( 2.077 -0.231 -3.239) 3.855 4.700 ( 3.110 -0.462 2.720) 4.158 4.723 ( 1.539 0.330 -0.238) 1.592 4.864 ( -2.657 -1.194 2.444) 3.802 4.921 ( 1.006 -0.077 -2.982) 3.148 4.988 ( -0.781 -0.321 1.926) 2.104 5.029 ( 0.395 0.445 -2.060) 2.145 5.566 ( -0.785 -4.737 5.941) 7.638 5.631 ( -0.004 -4.590 -0.513) 4.618 6.114 ( 2.760 1.128 9.295) 9.762 6.307 ( 3.181 1.769 -11.218) 11.793 7.031 ( 2.313 -0.933 2.660) 3.646 7.055 ( 3.862 -1.949 0.489) 4.353 ======================= Grid point 387 (127/147) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 0.000 10.720 7.107) 12.861 0.693 ( 0.000 4.632 -7.437) 8.761 0.776 ( 0.000 5.832 15.625) 16.678 1.046 ( 0.000 3.692 -13.011) 13.525 1.224 ( 0.000 3.216 10.655) 11.130 1.320 ( -0.000 -0.712 -2.009) 2.132 1.550 ( -0.000 -2.128 1.376) 2.534 1.568 ( -0.000 -2.732 -0.651) 2.808 1.664 ( 0.000 0.756 18.843) 18.858 1.912 ( -0.000 -5.174 1.594) 5.414 2.004 ( -0.000 -2.935 -4.221) 5.141 2.090 ( 0.000 0.602 -14.984) 14.996 2.241 ( -0.000 -0.778 2.213) 2.346 2.244 ( -0.000 -0.559 2.461) 2.523 2.294 ( -0.000 -0.112 -2.689) 2.691 2.303 ( 0.000 0.310 -4.175) 4.186 2.983 ( 0.000 0.407 3.620) 3.642 3.077 ( 0.000 2.331 -6.537) 6.940 3.723 ( 0.000 0.106 0.269) 0.289 3.728 ( 0.000 0.129 -0.205) 0.242 3.804 ( 0.000 0.088 1.533) 1.536 3.831 ( 0.000 0.097 -1.346) 1.350 4.376 ( 0.000 0.100 2.496) 2.498 4.437 ( -0.000 -0.133 -4.152) 4.154 4.730 ( 0.000 0.079 0.731) 0.735 4.745 ( 0.000 0.077 -0.824) 0.828 4.833 ( -0.000 -2.014 6.543) 6.846 4.934 ( -0.000 -0.277 -4.214) 4.224 4.984 ( -0.000 -0.157 2.533) 2.538 5.032 ( 0.000 0.861 -2.310) 2.465 5.582 ( -0.000 -4.825 6.064) 7.749 5.653 ( -0.000 -4.777 -0.979) 4.877 6.135 ( 0.000 1.130 9.190) 9.259 6.328 ( 0.000 1.812 -11.391) 11.534 7.059 ( -0.000 -0.919 3.767) 3.877 7.109 ( -0.000 -2.693 -1.277) 2.981 ======================= Grid point 392 (128/147) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.178 0.000 1.039) 1.054 1.066 ( -0.791 -0.000 -0.878) 1.182 1.536 ( -4.392 -0.000 4.118) 6.020 1.601 ( -3.528 -0.000 -2.531) 4.341 1.717 ( -0.626 -0.000 0.226) 0.666 1.719 ( -0.630 -0.000 -0.219) 0.667 1.950 ( 0.449 0.000 0.277) 0.527 1.958 ( 1.108 0.000 -0.564) 1.243 2.143 ( 4.989 0.000 3.890) 6.326 2.163 ( 8.874 0.000 3.701) 9.615 2.231 ( 1.975 0.000 2.866) 3.480 2.268 ( 3.418 0.000 5.615) 6.574 2.385 ( -6.673 -0.000 -1.374) 6.813 2.589 ( -1.349 -0.000 -13.633) 13.699 3.031 ( 2.444 0.000 0.672) 2.535 3.053 ( 0.277 0.000 -1.857) 1.878 3.109 ( 1.953 0.000 3.071) 3.640 3.149 ( 2.929 0.000 -1.154) 3.148 3.846 ( -1.435 -0.000 3.017) 3.341 3.912 ( -1.497 -0.000 -3.930) 4.206 4.248 ( 0.354 0.000 1.986) 2.017 4.291 ( 0.621 0.000 -2.437) 2.514 4.463 ( 3.720 0.000 3.957) 5.431 4.544 ( 4.304 0.000 -4.857) 6.490 4.566 ( -2.583 -0.000 5.542) 6.114 4.663 ( -2.371 -0.000 -4.666) 5.234 4.915 ( 1.568 0.000 -0.013) 1.568 4.917 ( 1.835 0.000 -0.225) 1.848 5.113 ( -0.559 -0.000 4.899) 4.931 5.211 ( 0.158 0.000 -5.694) 5.696 5.416 ( -2.363 -0.000 10.108) 10.380 5.550 ( 0.915 0.000 -2.818) 2.962 5.640 ( -4.274 -0.000 1.189) 4.436 5.707 ( -1.682 -0.000 -5.020) 5.295 6.798 ( -0.640 -0.000 4.265) 4.312 6.871 ( -0.686 -0.000 -3.368) 3.437 ======================= Grid point 393 (129/147) ======================= q-point: (-0.69 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.518 0.135 0.585) 0.793 1.071 ( 2.125 -0.036 -0.269) 2.142 1.462 ( -3.408 0.070 5.464) 6.440 1.549 ( -1.997 -0.162 -3.270) 3.835 1.657 ( -5.190 -0.021 -0.157) 5.192 1.664 ( -4.974 -1.271 -0.737) 5.187 1.960 ( 0.614 0.061 1.397) 1.528 1.985 ( 1.595 0.095 -1.268) 2.040 2.176 ( -0.281 0.118 6.128) 6.136 2.225 ( -7.585 0.103 10.323) 12.810 2.274 ( 0.773 0.531 0.561) 1.093 2.279 ( 1.937 0.314 1.063) 2.232 2.366 ( 5.464 -0.194 -3.133) 6.302 2.579 ( 0.578 -0.060 -14.651) 14.663 3.013 ( -3.082 -0.130 1.899) 3.622 3.046 ( -0.883 -0.053 -1.952) 2.143 3.148 ( 0.927 0.187 1.350) 1.648 3.163 ( -1.334 0.125 -0.214) 1.357 3.845 ( 1.351 -0.010 3.074) 3.358 3.913 ( 1.661 0.003 -4.172) 4.491 4.244 ( -0.754 -0.024 1.842) 1.990 4.283 ( -1.369 -0.043 -2.170) 2.566 4.452 ( -4.200 -0.064 3.889) 5.725 4.535 ( -4.703 -0.054 -5.033) 6.889 4.573 ( 2.651 0.038 5.561) 6.161 4.669 ( 2.395 0.029 -4.567) 5.156 4.911 ( -2.014 0.004 -0.020) 2.014 4.912 ( -2.320 -0.054 -0.105) 2.323 5.112 ( 0.492 -0.005 4.730) 4.756 5.207 ( -0.527 -0.024 -5.536) 5.561 5.409 ( 1.516 -0.046 9.967) 10.082 5.540 ( -1.592 -0.061 -2.839) 3.256 5.650 ( 4.897 0.069 0.475) 4.921 5.699 ( 0.900 -0.049 -4.046) 4.145 6.794 ( 0.201 -0.024 3.917) 3.922 6.862 ( -0.248 -0.054 -3.211) 3.221 ======================= Grid point 394 (130/147) ======================= q-point: (-0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.238 0.271 2.256) 2.284 1.112 ( 1.679 0.410 -1.828) 2.516 1.389 ( -5.795 -2.043 6.866) 9.214 1.517 ( -3.990 -1.385 -6.341) 7.619 1.553 ( -4.055 -1.624 1.304) 4.558 1.582 ( -2.974 -1.333 -1.572) 3.618 1.960 ( -1.127 0.441 2.398) 2.686 1.999 ( -0.513 0.738 -1.764) 1.980 2.072 ( -7.667 0.290 9.603) 12.291 2.148 ( -2.593 0.980 0.396) 2.800 2.246 ( -2.475 1.000 1.389) 3.009 2.263 ( -2.407 0.591 0.092) 2.480 2.482 ( 5.802 -0.352 0.467) 5.832 2.609 ( 2.257 -0.179 -10.510) 10.751 2.910 ( -8.323 0.270 3.925) 9.207 2.980 ( -7.415 0.014 -3.639) 8.260 3.124 ( -1.831 0.473 0.631) 1.994 3.139 ( -1.837 0.437 -0.615) 1.986 3.898 ( 4.180 0.001 3.445) 5.417 3.975 ( 4.797 0.055 -4.712) 6.724 4.224 ( -1.327 -0.082 1.323) 1.876 4.246 ( -2.379 -0.144 -0.799) 2.513 4.369 ( -4.251 -0.169 2.271) 4.822 4.432 ( -5.752 -0.104 -4.294) 7.179 4.604 ( 0.348 0.035 5.290) 5.301 4.692 ( -0.379 -0.013 -3.932) 3.950 4.859 ( -2.655 -0.010 -0.044) 2.655 4.863 ( -2.217 -0.320 -0.424) 2.280 5.118 ( -0.137 -0.012 3.930) 3.933 5.191 ( -1.228 -0.097 -4.097) 4.278 5.457 ( 2.851 -0.380 7.262) 7.811 5.524 ( -0.232 -0.274 0.271) 0.450 5.742 ( 3.604 -0.070 -0.579) 3.651 5.776 ( 7.954 0.110 -3.856) 8.840 6.806 ( 1.103 -0.119 3.276) 3.459 6.863 ( 0.283 -0.311 -2.614) 2.647 ======================= Grid point 395 (131/147) ======================= q-point: (-0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -2.275 -0.333 2.866) 3.674 1.112 ( -1.844 -0.017 -2.835) 3.382 1.259 ( -7.942 -1.671 7.164) 10.826 1.392 ( -7.587 -1.585 -6.368) 10.031 1.543 ( -0.511 -3.524 0.817) 3.653 1.574 ( 0.006 -3.202 -1.948) 3.748 1.868 ( -7.793 1.210 6.663) 10.325 1.937 ( -4.212 2.910 0.139) 5.122 1.987 ( -2.605 -0.357 3.428) 4.320 2.070 ( -4.685 2.123 -2.569) 5.749 2.191 ( -3.071 0.846 1.617) 3.572 2.210 ( -2.528 -0.607 -0.147) 2.604 2.564 ( 0.357 0.035 3.116) 3.136 2.652 ( 1.738 -0.171 -5.188) 5.474 2.712 ( -9.632 1.110 2.737) 10.074 2.772 ( -13.616 0.585 -3.419) 14.051 3.067 ( -5.730 0.530 -0.506) 5.776 3.077 ( -3.388 0.656 -2.195) 4.090 3.988 ( 4.468 0.202 4.082) 6.055 4.078 ( 5.145 0.304 -5.558) 7.580 4.204 ( -1.332 0.051 1.093) 1.724 4.206 ( -0.472 -0.032 0.876) 0.995 4.295 ( -3.624 -0.209 -0.233) 3.637 4.328 ( -5.281 -0.042 -3.747) 6.475 4.590 ( -1.242 -0.062 4.741) 4.901 4.663 ( -2.232 -0.302 -3.001) 3.752 4.829 ( -0.348 -0.248 0.787) 0.895 4.850 ( 0.489 -0.346 -1.282) 1.415 5.102 ( -1.592 -0.016 3.052) 3.443 5.158 ( -2.401 -0.174 -3.116) 3.937 5.504 ( 1.521 -1.250 4.386) 4.808 5.529 ( 0.457 -0.828 1.559) 1.824 5.831 ( 5.641 -0.035 4.012) 6.922 5.937 ( 9.015 0.403 -6.560) 11.157 6.837 ( 2.099 -0.236 2.498) 3.271 6.877 ( 1.009 -0.694 -1.592) 2.009 ======================= Grid point 396 (132/147) ======================= q-point: (-0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -7.467 -1.433 3.073) 8.201 1.029 ( -7.010 -0.522 -2.732) 7.541 1.154 ( -2.743 1.466 6.086) 6.835 1.274 ( -5.143 0.750 -5.687) 7.704 1.543 ( -2.536 -6.434 2.145) 7.241 1.587 ( -1.042 -5.313 -2.210) 5.848 1.713 ( -7.125 2.235 7.462) 10.557 1.815 ( -6.956 4.143 -3.805) 8.946 1.934 ( -3.553 -0.116 2.185) 4.172 1.952 ( -6.891 0.825 0.571) 6.963 2.127 ( -3.420 -0.213 3.504) 4.901 2.179 ( -1.081 -0.360 -1.040) 1.543 2.365 ( -14.139 2.846 5.066) 15.286 2.486 ( -14.776 0.813 -6.148) 16.025 2.663 ( -2.265 -0.033 1.047) 2.496 2.685 ( 0.960 -0.486 -0.893) 1.398 2.928 ( -7.359 0.755 2.097) 7.689 3.006 ( -2.403 1.353 -6.372) 6.943 4.011 ( -2.248 0.601 3.654) 4.332 4.087 ( -3.939 0.933 -4.067) 5.738 4.158 ( -5.242 0.147 2.167) 5.674 4.224 ( -5.735 0.019 -3.266) 6.600 4.254 ( 4.673 0.067 -0.417) 4.692 4.284 ( 3.059 -0.165 -2.081) 3.703 4.589 ( 1.822 -0.004 2.822) 3.359 4.630 ( -0.939 -0.942 -1.624) 2.099 4.846 ( 1.800 -0.208 1.454) 2.323 4.875 ( 1.752 -0.156 -1.433) 2.269 5.061 ( -2.620 -0.015 2.026) 3.312 5.102 ( -3.608 -0.358 -2.412) 4.354 5.523 ( -0.224 -2.272 3.934) 4.548 5.548 ( 0.627 -2.087 1.445) 2.615 5.945 ( 6.272 0.289 7.493) 9.776 6.102 ( 8.533 0.826 -8.750) 12.250 6.888 ( 3.141 -0.393 1.896) 3.690 6.910 ( 2.110 -1.004 -0.306) 2.357 ======================= Grid point 397 (133/147) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -6.883 2.313 3.692) 8.146 0.886 ( -7.253 0.996 -2.461) 7.724 1.105 ( -2.730 2.904 4.187) 5.781 1.186 ( -2.953 3.504 -2.839) 5.391 1.481 ( -7.407 -3.649 5.378) 9.854 1.580 ( -3.037 -6.058 -2.406) 7.191 1.606 ( -3.493 -1.564 1.500) 4.111 1.629 ( -10.449 4.640 -3.524) 11.964 1.802 ( -7.541 0.484 9.086) 11.817 1.870 ( -3.833 -2.468 0.629) 4.603 2.036 ( -6.893 -0.747 6.326) 9.386 2.165 ( -2.903 1.397 1.033) 3.383 2.172 ( -1.366 1.439 -0.969) 2.208 2.256 ( -7.347 0.098 -11.488) 13.637 2.556 ( -8.456 0.077 2.000) 8.690 2.604 ( -9.666 -0.585 -3.005) 10.139 2.873 ( 2.265 1.246 6.547) 7.039 3.004 ( 2.828 2.096 -7.759) 8.520 3.926 ( -5.518 0.718 2.328) 6.032 3.964 ( -7.955 0.991 -0.931) 8.071 4.023 ( -8.087 0.171 0.229) 8.092 4.082 ( -9.385 -0.335 -5.538) 10.902 4.340 ( 2.193 -0.199 0.444) 2.246 4.352 ( 4.564 -0.138 -0.980) 4.670 4.636 ( 2.392 -0.627 2.550) 3.552 4.669 ( 4.272 0.032 -0.914) 4.369 4.882 ( 1.082 0.142 0.905) 1.418 4.901 ( 0.733 -0.135 -0.878) 1.152 5.014 ( -2.232 -0.118 0.759) 2.361 5.039 ( -2.532 -0.700 -1.702) 3.130 5.522 ( -1.404 -3.903 5.619) 6.984 5.571 ( 0.515 -2.818 0.594) 2.926 6.053 ( 5.191 0.733 9.185) 10.576 6.239 ( 6.354 1.261 -10.516) 12.351 6.958 ( 3.941 -0.788 1.608) 4.329 6.965 ( 3.061 -0.948 0.926) 3.336 ======================= Grid point 398 (134/147) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -1.938 7.862 3.661) 8.887 0.772 ( -3.043 3.452 -1.627) 4.881 0.986 ( -7.339 6.306 7.035) 11.964 1.132 ( -1.454 4.376 -6.518) 7.985 1.346 ( -5.614 1.865 4.847) 7.648 1.398 ( -9.555 2.484 0.833) 9.907 1.548 ( -3.274 -4.320 0.050) 5.421 1.558 ( -3.646 -3.586 -0.729) 5.165 1.695 ( -3.227 -0.129 15.897) 16.221 1.838 ( -1.421 -5.132 0.365) 5.338 1.956 ( -1.941 -3.432 0.143) 3.945 2.106 ( -1.063 1.740 -9.453) 9.670 2.180 ( 2.204 0.242 0.968) 2.420 2.225 ( 0.839 -0.631 -6.047) 6.137 2.390 ( -7.925 0.085 0.278) 7.930 2.414 ( -9.473 -0.444 -2.005) 9.693 2.939 ( 4.412 1.247 6.653) 8.080 3.064 ( 3.994 2.390 -7.063) 8.459 3.805 ( -7.449 0.286 0.887) 7.507 3.819 ( -5.688 0.323 -0.038) 5.697 3.879 ( -7.372 -0.171 -0.892) 7.428 3.898 ( -7.797 -0.032 -2.771) 8.275 4.369 ( 0.980 0.042 1.901) 2.139 4.416 ( 2.178 -0.155 -3.258) 3.922 4.696 ( 3.326 -0.467 3.802) 5.073 4.726 ( 1.394 0.293 -0.268) 1.450 4.853 ( -3.318 -1.037 2.561) 4.318 4.920 ( 0.714 -0.181 -3.850) 3.920 4.985 ( -0.465 -0.233 2.422) 2.477 5.030 ( 0.599 -0.018 -2.209) 2.289 5.515 ( -1.519 -5.306 7.928) 9.660 5.594 ( 0.336 -3.092 -0.420) 3.139 6.126 ( 2.867 1.098 9.574) 10.054 6.323 ( 3.202 1.520 -11.532) 12.064 7.023 ( 2.386 -0.739 2.099) 3.263 7.038 ( 3.457 -1.540 0.871) 3.883 ======================= Grid point 399 (135/147) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 10.825 3.667) 11.429 0.742 ( 0.000 5.324 -5.120) 7.387 0.841 ( 0.000 7.273 14.098) 15.863 1.088 ( 0.000 4.887 -12.005) 12.962 1.262 ( 0.000 4.566 8.863) 9.970 1.315 ( -0.000 -0.109 0.768) 0.776 1.524 ( -0.000 -3.065 0.867) 3.186 1.536 ( -0.000 -3.771 -0.419) 3.794 1.669 ( 0.000 0.241 17.646) 17.647 1.856 ( -0.000 -6.197 0.637) 6.230 1.967 ( -0.000 -4.462 -2.937) 5.342 2.100 ( 0.000 1.407 -15.707) 15.769 2.234 ( -0.000 -0.672 2.644) 2.728 2.238 ( -0.000 -0.661 2.755) 2.833 2.293 ( -0.000 -0.148 -2.897) 2.901 2.304 ( 0.000 0.014 -4.384) 4.384 2.989 ( 0.000 0.693 5.162) 5.208 3.100 ( 0.000 2.315 -6.771) 7.156 3.724 ( 0.000 0.128 0.270) 0.299 3.729 ( 0.000 0.155 -0.231) 0.278 3.805 ( 0.000 0.106 1.529) 1.532 3.832 ( 0.000 0.116 -1.362) 1.367 4.377 ( 0.000 0.202 2.351) 2.360 4.436 ( -0.000 -0.023 -4.137) 4.138 4.731 ( 0.000 0.096 0.719) 0.725 4.746 ( 0.000 0.093 -0.834) 0.839 4.812 ( -0.000 -2.278 7.930) 8.251 4.929 ( -0.000 -0.558 -4.953) 4.984 4.985 ( 0.000 0.254 3.014) 3.024 5.038 ( 0.000 0.373 -2.523) 2.550 5.527 ( -0.000 -5.981 8.395) 10.308 5.612 ( -0.000 -3.452 -0.713) 3.525 6.147 ( 0.000 1.246 9.471) 9.552 6.345 ( 0.000 1.685 -11.785) 11.905 7.051 ( -0.000 -0.799 3.005) 3.110 7.084 ( -0.000 -2.292 -0.227) 2.304 ======================= Grid point 406 (136/147) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.223 0.000 2.305) 2.316 1.114 ( 1.707 0.000 -1.853) 2.519 1.378 ( -6.075 -0.000 7.041) 9.300 1.510 ( -4.152 -0.000 -6.487) 7.702 1.545 ( -4.302 -0.000 1.333) 4.504 1.575 ( -2.898 -0.000 -1.646) 3.333 1.962 ( -1.041 -0.000 2.467) 2.678 2.003 ( -0.226 -0.000 -1.946) 1.959 2.073 ( -7.813 -0.000 10.027) 12.711 2.153 ( -2.280 -0.000 0.448) 2.323 2.251 ( -2.694 -0.000 1.142) 2.926 2.266 ( -2.559 -0.000 0.059) 2.559 2.480 ( 5.825 0.000 0.432) 5.841 2.608 ( 2.270 0.000 -10.617) 10.857 2.911 ( -8.103 -0.000 3.876) 8.982 2.980 ( -7.307 -0.000 -3.555) 8.126 3.126 ( -1.871 -0.000 0.613) 1.969 3.141 ( -1.838 -0.000 -0.591) 1.931 3.898 ( 4.199 0.000 3.451) 5.435 3.975 ( 4.818 0.000 -4.738) 6.757 4.223 ( -1.319 -0.000 1.310) 1.859 4.245 ( -2.360 -0.000 -0.785) 2.487 4.368 ( -4.253 -0.000 2.288) 4.830 4.431 ( -5.738 -0.000 -4.314) 7.179 4.604 ( 0.330 0.000 5.281) 5.291 4.691 ( -0.412 -0.000 -3.920) 3.941 4.859 ( -2.823 -0.000 -0.167) 2.828 4.861 ( -2.103 -0.000 -0.293) 2.124 5.118 ( -0.137 -0.000 3.909) 3.912 5.191 ( -1.235 -0.000 -4.078) 4.261 5.455 ( 2.742 0.000 7.255) 7.756 5.523 ( -0.287 -0.000 0.198) 0.349 5.741 ( 3.566 0.000 -0.469) 3.596 5.777 ( 8.019 0.000 -3.849) 8.895 6.806 ( 1.089 0.000 3.208) 3.388 6.861 ( 0.230 0.000 -2.578) 2.588 ======================= Grid point 408 (137/147) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -2.849 -0.159 2.993) 4.135 1.112 ( -2.308 -0.024 -2.940) 3.738 1.249 ( -6.556 -0.484 7.329) 9.845 1.382 ( -6.988 -0.570 -6.012) 9.236 1.520 ( -1.079 -1.186 0.533) 1.689 1.552 ( -0.558 -1.169 -2.151) 2.511 1.875 ( -7.602 0.377 7.176) 10.461 1.960 ( -3.733 1.801 -1.440) 4.387 1.980 ( -2.766 -0.934 5.209) 5.972 2.085 ( -4.816 0.821 -3.260) 5.873 2.198 ( -3.308 0.650 1.060) 3.534 2.204 ( -2.866 -0.636 0.525) 2.982 2.564 ( 1.124 -0.003 2.712) 2.936 2.651 ( 1.743 -0.069 -5.490) 5.760 2.719 ( -10.036 0.414 2.840) 10.438 2.776 ( -13.421 0.214 -2.963) 13.745 3.070 ( -5.778 0.192 -0.442) 5.798 3.081 ( -3.287 0.236 -2.276) 4.005 3.989 ( 4.573 0.072 4.112) 6.150 4.080 ( 5.285 0.110 -5.605) 7.704 4.205 ( -1.345 0.041 1.064) 1.716 4.205 ( -0.318 -0.036 0.900) 0.955 4.294 ( -3.603 -0.076 -0.171) 3.608 4.328 ( -5.237 -0.016 -3.780) 6.459 4.590 ( -1.271 -0.017 4.655) 4.825 4.661 ( -2.385 -0.111 -2.921) 3.772 4.827 ( -0.371 -0.085 0.751) 0.842 4.848 ( 0.541 -0.134 -1.245) 1.365 5.102 ( -1.588 -0.005 3.003) 3.397 5.157 ( -2.424 -0.065 -3.066) 3.909 5.496 ( 1.252 -0.459 4.542) 4.733 5.524 ( 0.240 -0.292 1.365) 1.417 5.831 ( 5.721 -0.006 4.314) 7.165 5.940 ( 9.097 0.139 -6.615) 11.248 6.836 ( 2.094 -0.073 2.271) 3.090 6.872 ( 0.925 -0.258 -1.462) 1.749 ======================= Grid point 409 (138/147) ======================= q-point: (-0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -6.699 -0.662 3.056) 7.392 1.024 ( -6.671 -0.404 -3.430) 7.512 1.171 ( -1.604 1.674 6.290) 6.704 1.279 ( -4.028 0.295 -4.429) 5.994 1.492 ( -3.379 -3.711 1.824) 5.340 1.544 ( -1.685 -3.324 -3.042) 4.811 1.729 ( -7.063 1.053 9.142) 11.600 1.851 ( -6.741 3.048 -4.332) 8.573 1.925 ( -3.991 -1.245 2.514) 4.879 1.964 ( -7.328 1.151 -0.984) 7.483 2.124 ( -3.869 -0.275 3.829) 5.450 2.176 ( -0.747 -0.212 -0.820) 1.130 2.387 ( -14.014 1.537 4.461) 14.787 2.492 ( -14.746 0.447 -5.425) 15.719 2.663 ( -2.272 0.006 0.742) 2.390 2.681 ( 0.753 -0.346 -0.791) 1.146 2.934 ( -7.178 0.431 2.393) 7.579 3.017 ( -2.158 0.743 -6.487) 6.877 4.016 ( -2.151 0.341 3.783) 4.365 4.094 ( -3.753 0.555 -4.180) 5.645 4.159 ( -5.268 0.076 2.112) 5.676 4.224 ( -5.745 -0.014 -3.184) 6.568 4.255 ( 4.597 0.036 -0.484) 4.623 4.283 ( 3.081 -0.094 -1.984) 3.666 4.590 ( 2.063 0.087 2.409) 3.173 4.622 ( -1.213 -0.622 -1.155) 1.787 4.844 ( 1.917 -0.110 1.474) 2.421 4.874 ( 1.886 -0.088 -1.453) 2.382 5.061 ( -2.630 -0.006 1.860) 3.221 5.099 ( -3.757 -0.246 -2.290) 4.406 5.504 ( -0.730 -1.469 4.460) 4.752 5.533 ( 0.454 -0.950 1.312) 1.682 5.947 ( 6.420 0.169 7.815) 10.115 6.108 ( 8.653 0.440 -8.885) 12.410 6.885 ( 3.127 -0.130 1.482) 3.463 6.902 ( 2.084 -0.628 -0.062) 2.177 ======================= Grid point 410 (139/147) ======================= q-point: (-0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -4.424 2.051 2.100) 5.309 0.895 ( -6.273 0.734 -2.725) 6.878 1.141 ( -1.186 4.313 5.379) 6.996 1.218 ( -1.751 2.755 -1.347) 3.531 1.427 ( -6.049 -6.251 4.101) 9.617 1.517 ( -3.851 -6.079 -4.382) 8.425 1.607 ( -5.371 1.059 6.089) 8.188 1.676 ( -9.243 4.463 -3.158) 10.739 1.810 ( -7.881 0.977 4.247) 9.006 1.846 ( -5.003 -2.457 -0.017) 5.574 2.028 ( -7.443 -0.830 8.568) 11.380 2.172 ( -0.507 0.330 1.019) 1.185 2.188 ( -3.911 1.427 -0.631) 4.211 2.257 ( -8.225 0.167 -11.006) 13.741 2.556 ( -8.390 0.084 1.544) 8.531 2.599 ( -9.562 -0.535 -2.816) 9.982 2.883 ( 2.290 0.858 7.087) 7.497 3.022 ( 2.964 1.424 -7.869) 8.529 3.933 ( -5.582 0.538 2.539) 6.156 3.973 ( -8.282 0.721 -0.631) 8.337 4.025 ( -7.944 0.234 -0.432) 7.959 4.078 ( -9.749 -0.470 -5.204) 11.062 4.338 ( 2.256 -0.120 0.421) 2.298 4.350 ( 4.480 -0.095 -1.052) 4.602 4.631 ( 2.311 -0.437 3.120) 3.908 4.669 ( 4.704 0.037 -0.972) 4.804 4.885 ( 1.311 0.337 0.704) 1.526 4.899 ( 0.447 -0.263 -0.667) 0.845 5.014 ( -2.325 0.102 0.252) 2.341 5.031 ( -2.609 -0.877 -1.440) 3.106 5.488 ( -1.927 -2.894 6.927) 7.751 5.550 ( 0.600 -1.559 0.267) 1.692 6.059 ( 5.339 0.497 9.450) 10.866 6.249 ( 6.418 0.812 -10.697) 12.501 6.952 ( 3.778 -0.407 1.382) 4.043 6.957 ( 3.244 -0.673 0.912) 3.436 ======================= Grid point 411 (140/147) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -0.138 6.360 0.673) 6.397 0.804 ( -1.795 2.974 -0.802) 3.565 1.046 ( -6.309 5.988 7.836) 11.707 1.180 ( -0.769 5.580 -4.319) 7.098 1.349 ( -2.977 -1.378 4.567) 5.624 1.412 ( -8.842 -0.746 0.059) 8.874 1.512 ( -3.748 -2.268 1.577) 4.656 1.538 ( -4.486 -0.074 -1.020) 4.601 1.689 ( -3.985 -1.040 11.678) 12.383 1.789 ( -2.442 -4.701 -0.352) 5.309 1.924 ( -3.192 -2.894 2.932) 5.212 2.122 ( -1.287 1.475 -9.202) 9.408 2.183 ( 1.819 0.273 1.061) 2.123 2.219 ( 0.860 -0.561 -5.587) 5.680 2.391 ( -8.010 0.078 -0.143) 8.012 2.409 ( -9.416 -0.454 -1.905) 9.617 2.949 ( 4.181 0.961 7.538) 8.673 3.085 ( 3.869 1.823 -7.151) 8.332 3.808 ( -7.681 0.229 0.920) 7.739 3.822 ( -6.097 0.271 -0.028) 6.103 3.877 ( -7.847 -0.125 -0.852) 7.894 3.897 ( -6.946 -0.130 -2.437) 7.362 4.370 ( 1.148 0.095 1.782) 2.122 4.415 ( 2.321 -0.052 -3.263) 4.005 4.691 ( 3.447 -0.405 4.883) 5.991 4.729 ( 1.257 0.229 -0.245) 1.301 4.844 ( -3.960 -0.755 2.490) 4.739 4.918 ( 0.458 -0.185 -4.485) 4.512 4.983 ( -0.124 -0.200 2.508) 2.519 5.029 ( 0.803 -0.266 -2.240) 2.395 5.469 ( -1.664 -3.982 9.766) 10.677 5.569 ( 0.447 -2.000 -1.037) 2.296 6.135 ( 2.953 0.843 9.797) 10.267 6.335 ( 3.183 1.069 -11.642) 12.117 7.017 ( 2.508 -0.422 1.625) 3.018 7.025 ( 3.228 -0.986 1.097) 3.549 ======================= Grid point 412 (141/147) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 8.041 1.391) 8.160 0.794 ( 0.000 5.372 -3.449) 6.384 0.914 ( 0.000 7.399 12.706) 14.703 1.139 ( 0.000 5.369 -10.949) 12.194 1.308 ( 0.000 3.950 8.149) 9.056 1.324 ( 0.000 2.745 2.993) 4.062 1.490 ( -0.000 -3.872 0.364) 3.889 1.496 ( -0.000 -4.139 -0.259) 4.147 1.665 ( -0.000 -1.356 14.874) 14.935 1.795 ( -0.000 -6.004 0.102) 6.005 1.922 ( -0.000 -4.532 -1.394) 4.741 2.115 ( 0.000 1.493 -15.887) 15.957 2.228 ( -0.000 -0.423 3.097) 3.125 2.232 ( -0.000 -0.611 3.057) 3.118 2.291 ( -0.000 -0.149 -3.107) 3.110 2.304 ( -0.000 -0.112 -4.384) 4.386 2.995 ( 0.000 0.672 6.569) 6.604 3.121 ( 0.000 1.849 -6.819) 7.065 3.726 ( 0.000 0.121 0.272) 0.298 3.731 ( 0.000 0.146 -0.257) 0.296 3.806 ( 0.000 0.100 1.523) 1.526 3.833 ( 0.000 0.108 -1.377) 1.382 4.380 ( 0.000 0.272 2.238) 2.255 4.437 ( 0.000 0.124 -4.138) 4.140 4.732 ( 0.000 0.090 0.706) 0.711 4.746 ( 0.000 0.087 -0.844) 0.849 4.790 ( -0.000 -2.117 9.296) 9.534 4.924 ( -0.000 -0.482 -5.295) 5.317 4.987 ( 0.000 0.256 2.702) 2.715 5.039 ( -0.000 -0.015 -2.571) 2.571 5.473 ( -0.000 -4.813 10.532) 11.579 5.584 ( -0.000 -2.420 -1.424) 2.808 6.159 ( 0.000 1.074 9.707) 9.766 6.360 ( 0.000 1.273 -11.884) 11.952 7.044 ( -0.000 -0.465 2.294) 2.340 7.066 ( -0.000 -1.533 0.414) 1.587 ======================= Grid point 421 (142/147) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -6.358 -0.000 3.013) 7.036 1.022 ( -6.555 -0.000 -3.590) 7.474 1.181 ( -0.937 -0.000 6.183) 6.253 1.280 ( -3.754 -0.000 -3.592) 5.196 1.474 ( -3.802 -0.000 1.510) 4.091 1.527 ( -2.029 -0.000 -3.345) 3.912 1.734 ( -7.026 -0.000 9.709) 11.984 1.868 ( -6.694 -0.000 -5.599) 8.727 1.917 ( -4.202 -0.000 3.848) 5.697 1.970 ( -7.332 -0.000 -1.825) 7.556 2.122 ( -4.027 -0.000 4.059) 5.718 2.175 ( -0.627 -0.000 -0.741) 0.970 2.394 ( -13.990 -0.000 4.257) 14.623 2.494 ( -14.731 -0.000 -5.163) 15.610 2.663 ( -2.282 -0.000 0.608) 2.362 2.679 ( 0.679 0.000 -0.737) 1.002 2.937 ( -7.114 -0.000 2.497) 7.540 3.020 ( -2.072 -0.000 -6.525) 6.847 4.017 ( -2.115 -0.000 3.832) 4.377 4.097 ( -3.679 -0.000 -4.224) 5.602 4.160 ( -5.277 -0.000 2.085) 5.674 4.224 ( -5.763 -0.000 -3.156) 6.570 4.255 ( 4.570 0.000 -0.504) 4.598 4.282 ( 3.090 0.000 -1.950) 3.654 4.590 ( 2.224 0.000 2.222) 3.144 4.619 ( -1.387 -0.000 -0.943) 1.677 4.844 ( 1.962 0.000 1.482) 2.458 4.874 ( 1.937 0.000 -1.457) 2.424 5.061 ( -2.631 -0.000 1.791) 3.183 5.098 ( -3.825 -0.000 -2.240) 4.432 5.497 ( -0.908 -0.000 4.703) 4.789 5.529 ( 0.402 0.000 1.212) 1.277 5.948 ( 6.470 0.000 7.922) 10.228 6.110 ( 8.694 0.000 -8.929) 12.462 6.885 ( 3.151 0.000 1.288) 3.404 6.898 ( 2.051 0.000 0.073) 2.052 ======================= Grid point 423 (143/147) ======================= q-point: (-0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -3.109 0.810 1.125) 3.404 0.900 ( -5.679 0.255 -2.658) 6.275 1.185 ( 1.075 4.075 5.005) 6.543 1.230 ( -1.419 -0.584 1.826) 2.385 1.379 ( -6.350 -2.719 2.784) 7.448 1.471 ( -4.791 -2.833 -5.695) 7.963 1.616 ( -5.549 0.507 8.566) 10.219 1.710 ( -8.880 2.034 -3.019) 9.597 1.818 ( -7.280 0.517 0.621) 7.325 1.826 ( -6.579 -1.330 -0.334) 6.721 2.022 ( -7.773 -0.382 10.222) 12.848 2.174 ( -0.031 0.081 0.854) 0.858 2.197 ( -4.417 0.515 -0.291) 4.456 2.259 ( -8.691 0.077 -10.692) 13.779 2.557 ( -8.343 0.049 1.233) 8.434 2.595 ( -9.507 -0.229 -2.676) 9.880 2.889 ( 2.292 0.304 7.382) 7.736 3.031 ( 3.035 0.502 -7.927) 8.502 3.936 ( -5.604 0.202 2.681) 6.216 3.978 ( -8.521 0.256 -0.341) 8.532 4.027 ( -7.732 0.142 -1.046) 7.804 4.074 ( -10.068 -0.247 -4.921) 11.209 4.337 ( 2.300 -0.039 0.407) 2.336 4.350 ( 4.442 -0.033 -1.086) 4.573 4.628 ( 2.294 -0.156 3.451) 4.147 4.669 ( 4.925 0.017 -1.002) 5.026 4.888 ( 2.049 0.301 0.460) 2.122 4.896 ( -0.340 -0.266 -0.356) 0.559 5.016 ( -2.074 0.440 -0.359) 2.151 5.023 ( -2.959 -0.756 -1.037) 3.226 5.469 ( -2.087 -1.032 7.709) 8.053 5.540 ( 0.602 -0.513 -0.029) 0.791 6.062 ( 5.415 0.175 9.588) 11.013 6.255 ( 6.444 0.279 -10.777) 12.559 6.950 ( 3.573 -0.035 1.229) 3.778 6.952 ( 3.495 -0.326 0.937) 3.633 ======================= Grid point 424 (144/147) ======================= q-point: (-0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -1.537 1.759 -0.020) 2.336 0.837 ( 1.255 3.338 -1.703) 3.952 1.101 ( -6.650 5.114 9.148) 12.412 1.238 ( 0.364 6.017 -2.226) 6.426 1.322 ( 0.445 -3.545 3.617) 5.084 1.379 ( -5.694 -5.270 -2.482) 8.146 1.507 ( -5.598 0.582 5.414) 7.810 1.554 ( -6.475 2.633 -0.862) 7.043 1.676 ( -5.588 -1.369 6.254) 8.498 1.749 ( -3.031 -3.327 -1.218) 4.663 1.902 ( -3.934 -1.639 6.281) 7.591 2.134 ( -1.448 0.854 -9.161) 9.314 2.185 ( 1.621 0.174 1.216) 2.034 2.214 ( 0.867 -0.328 -5.143) 5.226 2.392 ( -8.057 0.108 -0.500) 8.073 2.405 ( -9.341 -0.334 -1.794) 9.517 2.957 ( 4.016 0.507 8.149) 9.099 3.099 ( 3.749 0.975 -7.204) 8.180 3.810 ( -7.858 0.127 0.941) 7.915 3.824 ( -6.417 0.154 -0.025) 6.418 3.876 ( -8.277 -0.067 -0.863) 8.323 3.896 ( -6.161 -0.114 -2.148) 6.526 4.371 ( 1.275 0.077 1.711) 2.135 4.415 ( 2.450 0.002 -3.263) 4.080 4.688 ( 3.479 -0.242 5.699) 6.681 4.731 ( 1.149 0.129 -0.206) 1.175 4.838 ( -4.406 -0.390 2.309) 4.989 4.917 ( 0.303 -0.136 -4.929) 4.940 4.981 ( 0.103 -0.115 2.463) 2.467 5.026 ( 0.981 -0.223 -2.188) 2.409 5.439 ( -1.588 -2.033 10.838) 11.141 5.554 ( 0.482 -1.001 -1.545) 1.903 6.142 ( 3.007 0.452 9.936) 10.391 6.343 ( 3.157 0.544 -11.656) 12.088 7.014 ( 2.634 -0.142 1.291) 2.937 7.018 ( 3.112 -0.491 1.248) 3.389 ======================= Grid point 425 (145/147) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 0.000 3.753 1.110) 3.913 0.846 ( 0.000 4.727 -3.492) 5.877 0.980 ( 0.000 5.914 11.745) 13.150 1.189 ( 0.000 4.775 -10.140) 11.208 1.334 ( 0.000 2.637 9.545) 9.903 1.369 ( 0.000 4.931 3.919) 6.298 1.451 ( -0.000 -3.907 0.283) 3.917 1.458 ( -0.000 -3.540 -0.489) 3.574 1.642 ( -0.000 -2.986 9.740) 10.188 1.743 ( -0.000 -4.714 -0.608) 4.753 1.884 ( -0.000 -3.107 2.066) 3.731 2.128 ( 0.000 1.065 -16.129) 16.164 2.225 ( -0.000 -0.176 3.596) 3.601 2.227 ( -0.000 -0.428 3.303) 3.330 2.290 ( -0.000 -0.110 -3.272) 3.274 2.303 ( -0.000 -0.066 -4.263) 4.264 3.001 ( 0.000 0.437 7.635) 7.648 3.135 ( 0.000 1.163 -6.791) 6.890 3.727 ( 0.000 0.086 0.273) 0.286 3.732 ( 0.000 0.104 -0.279) 0.298 3.807 ( 0.000 0.071 1.518) 1.520 3.834 ( 0.000 0.076 -1.390) 1.392 4.382 ( 0.000 0.243 2.175) 2.188 4.438 ( 0.000 0.176 -4.158) 4.162 4.732 ( 0.000 0.064 0.695) 0.698 4.747 ( 0.000 0.062 -0.853) 0.855 4.772 ( -0.000 -1.504 10.279) 10.388 4.920 ( -0.000 -0.319 -5.698) 5.707 4.989 ( 0.000 0.141 2.353) 2.357 5.038 ( -0.000 -0.144 -2.476) 2.480 5.435 ( -0.000 -2.890 11.784) 12.134 5.565 ( -0.000 -1.462 -2.092) 2.552 6.167 ( 0.000 0.711 9.868) 9.893 6.370 ( 0.000 0.773 -11.840) 11.865 7.041 ( -0.000 -0.156 1.744) 1.751 7.054 ( -0.000 -0.848 0.797) 1.164 ======================= Grid point 436 (146/147) ======================= q-point: (-0.54 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -1.404 -0.000 0.272) 1.430 0.853 ( 1.613 0.000 -2.511) 2.985 1.131 ( -7.995 -0.000 10.108) 12.888 1.275 ( 5.069 0.000 1.201) 5.210 1.309 ( 1.175 0.000 3.747) 3.927 1.334 ( -7.295 -0.000 -7.036) 10.135 1.512 ( -5.970 -0.000 7.372) 9.486 1.571 ( -7.010 -0.000 -0.552) 7.031 1.668 ( -6.540 -0.000 3.399) 7.371 1.731 ( -3.231 -0.000 -1.889) 3.743 1.894 ( -4.122 -0.000 7.897) 8.908 2.138 ( -1.519 -0.000 -9.194) 9.319 2.186 ( 1.569 0.000 1.300) 2.037 2.213 ( 0.871 0.000 -4.946) 5.023 2.392 ( -8.056 -0.000 -0.660) 8.083 2.403 ( -9.320 -0.000 -1.729) 9.479 2.959 ( 3.955 0.000 8.369) 9.256 3.104 ( 3.701 0.000 -7.222) 8.115 3.810 ( -7.925 -0.000 0.948) 7.982 3.825 ( -6.539 -0.000 -0.024) 6.539 3.876 ( -8.467 -0.000 -0.877) 8.512 3.895 ( -5.824 -0.000 -2.032) 6.168 4.371 ( 1.322 0.000 1.688) 2.144 4.415 ( 2.501 0.000 -3.262) 4.111 4.687 ( 3.478 0.000 6.003) 6.938 4.731 ( 1.107 0.000 -0.188) 1.123 4.836 ( -4.561 -0.000 2.213) 5.069 4.916 ( 0.255 0.000 -5.094) 5.100 4.981 ( 0.176 0.000 2.433) 2.440 5.025 ( 1.056 0.000 -2.152) 2.397 5.429 ( -1.537 -0.000 11.176) 11.281 5.549 ( 0.493 0.000 -1.727) 1.796 6.144 ( 3.025 0.000 9.983) 10.432 6.346 ( 3.145 0.000 -11.651) 12.068 7.014 ( 2.677 0.000 1.093) 2.892 7.016 ( 3.087 0.000 1.382) 3.382 ======================= Grid point 438 (147/147) ======================= q-point: (-0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.98e-04 5.98e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.000 1.100 1.603) 1.944 0.878 ( 0.000 1.728 -4.096) 4.445 1.022 ( 0.000 2.383 11.331) 11.579 1.225 ( 0.000 2.187 -9.865) 10.104 1.358 ( 0.000 1.714 12.376) 12.494 1.405 ( 0.000 2.049 3.818) 4.333 1.421 ( -0.000 -1.817 0.429) 1.867 1.432 ( -0.000 -1.607 -0.728) 1.764 1.617 ( -0.000 -1.599 5.070) 5.316 1.707 ( -0.000 -2.200 -2.073) 3.023 1.864 ( -0.000 -1.004 5.457) 5.549 2.135 ( 0.000 0.373 -16.328) 16.332 2.224 ( -0.000 -0.154 3.439) 3.443 2.224 ( -0.000 -0.034 3.956) 3.956 2.289 ( -0.000 -0.040 -3.363) 3.364 2.302 ( -0.000 -0.010 -4.165) 4.165 3.004 ( 0.000 0.145 8.212) 8.213 3.143 ( 0.000 0.394 -6.766) 6.777 3.727 ( 0.000 0.031 0.273) 0.275 3.733 ( 0.000 0.037 -0.292) 0.294 3.807 ( 0.000 0.026 1.515) 1.515 3.835 ( 0.000 0.027 -1.397) 1.397 4.384 ( 0.000 0.098 2.150) 2.152 4.440 ( 0.000 0.082 -4.179) 4.180 4.733 ( 0.000 0.023 0.688) 0.689 4.748 ( 0.000 0.022 -0.857) 0.858 4.762 ( -0.000 -0.544 10.756) 10.770 4.918 ( -0.000 -0.117 -6.012) 6.014 4.990 ( 0.000 0.041 2.180) 2.180 5.037 ( -0.000 -0.068 -2.361) 2.361 5.417 ( -0.000 -0.945 12.321) 12.357 5.556 ( -0.000 -0.489 -2.450) 2.498 6.172 ( 0.000 0.247 9.947) 9.950 6.375 ( 0.000 0.258 -11.784) 11.787 7.041 ( -0.000 -0.005 1.402) 1.402 7.049 ( -0.000 -0.286 1.032) 1.070 =================== 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 3/30420 10.0 42.047 36.221 29.507 0.000 0.000 0.000 3/30420 20.0 14.656 6.110 7.317 0.000 0.000 0.000 3/30420 30.0 9.893 3.116 4.674 0.000 0.000 0.000 3/30420 40.0 7.697 2.120 3.591 0.000 0.000 0.000 3/30420 50.0 6.329 1.621 2.951 0.000 0.000 0.000 3/30420 60.0 5.381 1.320 2.521 0.000 0.000 0.000 3/30420 70.0 4.684 1.118 2.212 0.000 0.000 0.000 3/30420 80.0 4.151 0.973 1.977 0.000 0.000 0.000 3/30420 90.0 3.728 0.862 1.790 0.000 0.000 0.000 3/30420 100.0 3.385 0.775 1.638 0.000 0.000 0.000 3/30420 110.0 3.101 0.705 1.511 0.000 0.000 0.000 3/30420 120.0 2.861 0.646 1.402 0.000 0.000 0.000 3/30420 130.0 2.655 0.597 1.308 0.000 0.000 0.000 3/30420 140.0 2.478 0.555 1.227 0.000 0.000 0.000 3/30420 150.0 2.322 0.518 1.155 0.000 0.000 0.000 3/30420 160.0 2.186 0.486 1.090 0.000 0.000 0.000 3/30420 170.0 2.064 0.458 1.033 0.000 0.000 0.000 3/30420 180.0 1.955 0.433 0.981 0.000 0.000 0.000 3/30420 190.0 1.857 0.411 0.935 0.000 0.000 0.000 3/30420 200.0 1.769 0.391 0.892 0.000 0.000 0.000 3/30420 210.0 1.688 0.372 0.853 0.000 0.000 0.000 3/30420 220.0 1.615 0.356 0.817 0.000 0.000 0.000 3/30420 230.0 1.547 0.340 0.785 0.000 0.000 0.000 3/30420 240.0 1.485 0.326 0.754 0.000 0.000 0.000 3/30420 250.0 1.428 0.313 0.726 0.000 0.000 0.000 3/30420 260.0 1.375 0.302 0.700 0.000 0.000 0.000 3/30420 270.0 1.326 0.291 0.676 0.000 0.000 0.000 3/30420 280.0 1.280 0.280 0.653 0.000 0.000 0.000 3/30420 290.0 1.237 0.271 0.632 0.000 0.000 0.000 3/30420 300.0 1.197 0.262 0.612 0.000 0.000 0.000 3/30420 310.0 1.160 0.254 0.594 0.000 0.000 0.000 3/30420 320.0 1.125 0.246 0.576 0.000 0.000 0.000 3/30420 330.0 1.092 0.238 0.559 0.000 0.000 0.000 3/30420 340.0 1.060 0.231 0.544 0.000 0.000 0.000 3/30420 350.0 1.031 0.225 0.529 0.000 0.000 0.000 3/30420 360.0 1.003 0.219 0.515 0.000 0.000 0.000 3/30420 370.0 0.977 0.213 0.502 0.000 0.000 0.000 3/30420 380.0 0.951 0.207 0.489 0.000 0.000 0.000 3/30420 390.0 0.928 0.202 0.477 0.000 0.000 0.000 3/30420 400.0 0.905 0.197 0.466 0.000 0.000 0.000 3/30420 410.0 0.883 0.192 0.455 0.000 0.000 0.000 3/30420 420.0 0.863 0.188 0.444 0.000 0.000 0.000 3/30420 430.0 0.843 0.183 0.434 0.000 0.000 0.000 3/30420 440.0 0.824 0.179 0.425 0.000 0.000 0.000 3/30420 450.0 0.806 0.175 0.416 0.000 0.000 0.000 3/30420 460.0 0.789 0.172 0.407 0.000 0.000 0.000 3/30420 470.0 0.773 0.168 0.399 0.000 0.000 0.000 3/30420 480.0 0.757 0.164 0.391 0.000 0.000 0.000 3/30420 490.0 0.742 0.161 0.383 0.000 0.000 0.000 3/30420 500.0 0.727 0.158 0.376 0.000 0.000 0.000 3/30420 510.0 0.713 0.155 0.368 0.000 0.000 0.000 3/30420 520.0 0.700 0.152 0.362 0.000 0.000 0.000 3/30420 530.0 0.687 0.149 0.355 0.000 0.000 0.000 3/30420 540.0 0.674 0.146 0.349 0.000 0.000 0.000 3/30420 550.0 0.662 0.144 0.342 0.000 0.000 0.000 3/30420 560.0 0.651 0.141 0.336 0.000 0.000 0.000 3/30420 570.0 0.639 0.139 0.331 0.000 0.000 0.000 3/30420 580.0 0.628 0.136 0.325 0.000 0.000 0.000 3/30420 590.0 0.618 0.134 0.320 0.000 0.000 0.000 3/30420 600.0 0.608 0.132 0.315 0.000 0.000 0.000 3/30420 610.0 0.598 0.130 0.310 0.000 0.000 0.000 3/30420 620.0 0.589 0.128 0.305 0.000 0.000 0.000 3/30420 630.0 0.579 0.126 0.300 0.000 0.000 0.000 3/30420 640.0 0.570 0.124 0.295 0.000 0.000 0.000 3/30420 650.0 0.562 0.122 0.291 0.000 0.000 0.000 3/30420 660.0 0.553 0.120 0.287 0.000 0.000 0.000 3/30420 670.0 0.545 0.118 0.282 0.000 0.000 0.000 3/30420 680.0 0.537 0.116 0.278 0.000 0.000 0.000 3/30420 690.0 0.530 0.115 0.274 0.000 0.000 0.000 3/30420 700.0 0.522 0.113 0.271 0.000 0.000 0.000 3/30420 710.0 0.515 0.111 0.267 0.000 0.000 0.000 3/30420 720.0 0.508 0.110 0.263 0.000 0.000 0.000 3/30420 730.0 0.501 0.108 0.260 0.000 0.000 0.000 3/30420 740.0 0.494 0.107 0.256 0.000 0.000 0.000 3/30420 750.0 0.488 0.106 0.253 0.000 0.000 0.000 3/30420 760.0 0.481 0.104 0.250 0.000 0.000 0.000 3/30420 770.0 0.475 0.103 0.247 0.000 0.000 0.000 3/30420 780.0 0.469 0.102 0.243 0.000 0.000 0.000 3/30420 790.0 0.463 0.100 0.240 0.000 0.000 0.000 3/30420 800.0 0.458 0.099 0.237 0.000 0.000 0.000 3/30420 810.0 0.452 0.098 0.235 0.000 0.000 0.000 3/30420 820.0 0.447 0.097 0.232 0.000 0.000 0.000 3/30420 830.0 0.441 0.095 0.229 0.000 0.000 0.000 3/30420 840.0 0.436 0.094 0.226 0.000 0.000 0.000 3/30420 850.0 0.431 0.093 0.224 0.000 0.000 0.000 3/30420 860.0 0.426 0.092 0.221 0.000 0.000 0.000 3/30420 870.0 0.421 0.091 0.219 0.000 0.000 0.000 3/30420 880.0 0.416 0.090 0.216 0.000 0.000 0.000 3/30420 890.0 0.412 0.089 0.214 0.000 0.000 0.000 3/30420 900.0 0.407 0.088 0.212 0.000 0.000 0.000 3/30420 910.0 0.403 0.087 0.209 0.000 0.000 0.000 3/30420 920.0 0.398 0.086 0.207 0.000 0.000 0.000 3/30420 930.0 0.394 0.085 0.205 0.000 0.000 0.000 3/30420 940.0 0.390 0.084 0.203 0.000 0.000 0.000 3/30420 950.0 0.386 0.083 0.201 0.000 0.000 0.000 3/30420 960.0 0.382 0.083 0.199 0.000 0.000 0.000 3/30420 970.0 0.378 0.082 0.197 0.000 0.000 0.000 3/30420 980.0 0.374 0.081 0.195 0.000 0.000 0.000 3/30420 990.0 0.371 0.080 0.193 0.000 0.000 0.000 3/30420 1000.0 0.367 0.079 0.191 0.000 0.000 0.000 3/30420 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:48:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|