----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:58:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.422180160000000 6.403581380000000 b 3.191068660000000 0.000000000000000 6.403581380000000 c 3.191068660000000 5.422180160000000 0.000000000000000 Atomic positions (fractional): *1 S 0.05334432165406 0.71719435138740 0.28280564861260 32.065 2 S 0.94665567834594 0.28280564861260 0.71719435138740 32.065 3 S 0.28280564861260 0.94665567834594 0.05334432165406 32.065 4 S 0.71719435138740 0.05334432165406 0.94665567834594 32.065 *5 Rb 0.34841125631490 0.34841125631490 0.65158874368510 85.468 6 Rb 0.65158874368510 0.65158874368510 0.34841125631490 85.468 *7 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 8 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 *9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.382137320000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.844360320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.807162760000001 Atomic positions (fractional): *1 S 0.00000000000000 0.66807498513333 0.38526933652073 32.065 > 1 2 S 0.50000000000000 0.33192501486667 0.11473066347927 32.065 > 2 3 S 0.50000000000000 0.66807498513333 0.11473066347927 32.065 > 3 4 S 0.00000000000000 0.33192501486667 0.38526933652073 32.065 > 4 5 S 0.00000000000000 0.16807498513333 0.88526933652073 32.065 > 1 6 S 0.50000000000000 0.83192501486667 0.61473066347927 32.065 > 2 7 S 0.50000000000000 0.16807498513333 0.61473066347927 32.065 > 3 8 S 0.00000000000000 0.83192501486667 0.88526933652073 32.065 > 4 9 S 0.50000000000000 0.66807498513333 0.88526933652073 32.065 > 1 10 S 0.00000000000000 0.33192501486667 0.61473066347927 32.065 > 2 11 S 0.00000000000000 0.66807498513333 0.61473066347927 32.065 > 3 12 S 0.50000000000000 0.33192501486667 0.88526933652073 32.065 > 4 13 S 0.50000000000000 0.16807498513333 0.38526933652073 32.065 > 1 14 S 0.00000000000000 0.83192501486667 0.11473066347927 32.065 > 2 15 S 0.00000000000000 0.16807498513333 0.11473066347927 32.065 > 3 16 S 0.50000000000000 0.83192501486667 0.38526933652073 32.065 > 4 *17 Rb 0.00000000000000 0.00000000000000 0.34841125631490 85.468 > 5 18 Rb 0.50000000000000 0.00000000000000 0.15158874368510 85.468 > 6 19 Rb 0.00000000000000 0.50000000000000 0.84841125631490 85.468 > 5 20 Rb 0.50000000000000 0.50000000000000 0.65158874368510 85.468 > 6 21 Rb 0.50000000000000 0.00000000000000 0.84841125631490 85.468 > 5 22 Rb 0.00000000000000 0.00000000000000 0.65158874368510 85.468 > 6 23 Rb 0.50000000000000 0.50000000000000 0.34841125631490 85.468 > 5 24 Rb 0.00000000000000 0.50000000000000 0.15158874368510 85.468 > 6 *25 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 7 26 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 8 *27 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 9 28 Pt 0.75000000000000 0.25000000000000 0.50000000000000 195.084 > 7 29 Pt 0.75000000000000 0.75000000000000 0.50000000000000 195.084 > 8 30 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 9 31 Pt 0.25000000000000 0.75000000000000 0.50000000000000 195.084 > 7 32 Pt 0.25000000000000 0.25000000000000 0.50000000000000 195.084 > 8 33 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 9 34 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 7 35 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 8 36 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.764274640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 21.688720640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.807162760000001 Atomic positions (fractional): *1 S 0.00000000000000 0.33403749256666 0.38526933652073 32.065 > 1 2 S 0.50000000000000 0.33403749256666 0.38526933652073 32.065 > 1 3 S 0.00000000000000 0.83403749256666 0.38526933652073 32.065 > 1 4 S 0.50000000000000 0.83403749256666 0.38526933652073 32.065 > 1 5 S 0.25000000000000 0.16596250743334 0.11473066347927 32.065 > 2 6 S 0.75000000000000 0.16596250743334 0.11473066347927 32.065 > 2 7 S 0.25000000000000 0.66596250743334 0.11473066347927 32.065 > 2 8 S 0.75000000000000 0.66596250743334 0.11473066347927 32.065 > 2 9 S 0.25000000000000 0.33403749256666 0.11473066347927 32.065 > 3 10 S 0.75000000000000 0.33403749256666 0.11473066347927 32.065 > 3 11 S 0.25000000000000 0.83403749256666 0.11473066347927 32.065 > 3 12 S 0.75000000000000 0.83403749256666 0.11473066347927 32.065 > 3 13 S 0.00000000000000 0.16596250743334 0.38526933652073 32.065 > 4 14 S 0.50000000000000 0.16596250743334 0.38526933652073 32.065 > 4 15 S 0.00000000000000 0.66596250743334 0.38526933652073 32.065 > 4 16 S 0.50000000000000 0.66596250743334 0.38526933652073 32.065 > 4 17 S 0.00000000000000 0.08403749256666 0.88526933652073 32.065 > 1 18 S 0.50000000000000 0.08403749256666 0.88526933652073 32.065 > 1 19 S 0.00000000000000 0.58403749256666 0.88526933652073 32.065 > 1 20 S 0.50000000000000 0.58403749256666 0.88526933652073 32.065 > 1 21 S 0.25000000000000 0.41596250743334 0.61473066347927 32.065 > 2 22 S 0.75000000000000 0.41596250743334 0.61473066347927 32.065 > 2 23 S 0.25000000000000 0.91596250743334 0.61473066347927 32.065 > 2 24 S 0.75000000000000 0.91596250743334 0.61473066347927 32.065 > 2 25 S 0.25000000000000 0.08403749256666 0.61473066347927 32.065 > 3 26 S 0.75000000000000 0.08403749256666 0.61473066347927 32.065 > 3 27 S 0.25000000000000 0.58403749256666 0.61473066347927 32.065 > 3 28 S 0.75000000000000 0.58403749256666 0.61473066347927 32.065 > 3 29 S 0.00000000000000 0.41596250743334 0.88526933652073 32.065 > 4 30 S 0.50000000000000 0.41596250743334 0.88526933652073 32.065 > 4 31 S 0.00000000000000 0.91596250743334 0.88526933652073 32.065 > 4 32 S 0.50000000000000 0.91596250743334 0.88526933652073 32.065 > 4 33 S 0.25000000000000 0.33403749256666 0.88526933652073 32.065 > 1 34 S 0.75000000000000 0.33403749256666 0.88526933652073 32.065 > 1 35 S 0.25000000000000 0.83403749256666 0.88526933652073 32.065 > 1 36 S 0.75000000000000 0.83403749256666 0.88526933652073 32.065 > 1 37 S 0.00000000000000 0.16596250743334 0.61473066347927 32.065 > 2 38 S 0.50000000000000 0.16596250743334 0.61473066347927 32.065 > 2 39 S 0.00000000000000 0.66596250743334 0.61473066347927 32.065 > 2 40 S 0.50000000000000 0.66596250743334 0.61473066347927 32.065 > 2 41 S 0.00000000000000 0.33403749256666 0.61473066347927 32.065 > 3 42 S 0.50000000000000 0.33403749256666 0.61473066347927 32.065 > 3 43 S 0.00000000000000 0.83403749256666 0.61473066347927 32.065 > 3 44 S 0.50000000000000 0.83403749256666 0.61473066347927 32.065 > 3 45 S 0.25000000000000 0.16596250743334 0.88526933652073 32.065 > 4 46 S 0.75000000000000 0.16596250743334 0.88526933652073 32.065 > 4 47 S 0.25000000000000 0.66596250743334 0.88526933652073 32.065 > 4 48 S 0.75000000000000 0.66596250743334 0.88526933652073 32.065 > 4 49 S 0.25000000000000 0.08403749256666 0.38526933652073 32.065 > 1 50 S 0.75000000000000 0.08403749256666 0.38526933652073 32.065 > 1 51 S 0.25000000000000 0.58403749256666 0.38526933652073 32.065 > 1 52 S 0.75000000000000 0.58403749256666 0.38526933652073 32.065 > 1 53 S 0.00000000000000 0.41596250743334 0.11473066347927 32.065 > 2 54 S 0.50000000000000 0.41596250743334 0.11473066347927 32.065 > 2 55 S 0.00000000000000 0.91596250743334 0.11473066347927 32.065 > 2 56 S 0.50000000000000 0.91596250743334 0.11473066347927 32.065 > 2 57 S 0.00000000000000 0.08403749256666 0.11473066347927 32.065 > 3 58 S 0.50000000000000 0.08403749256666 0.11473066347927 32.065 > 3 59 S 0.00000000000000 0.58403749256666 0.11473066347927 32.065 > 3 60 S 0.50000000000000 0.58403749256666 0.11473066347927 32.065 > 3 61 S 0.25000000000000 0.41596250743334 0.38526933652073 32.065 > 4 62 S 0.75000000000000 0.41596250743334 0.38526933652073 32.065 > 4 63 S 0.25000000000000 0.91596250743334 0.38526933652073 32.065 > 4 64 S 0.75000000000000 0.91596250743334 0.38526933652073 32.065 > 4 *65 Rb 0.00000000000000 0.00000000000000 0.34841125631490 85.468 > 5 66 Rb 0.50000000000000 0.00000000000000 0.34841125631490 85.468 > 5 67 Rb 0.00000000000000 0.50000000000000 0.34841125631490 85.468 > 5 68 Rb 0.50000000000000 0.50000000000000 0.34841125631490 85.468 > 5 69 Rb 0.25000000000000 0.00000000000000 0.15158874368510 85.468 > 6 70 Rb 0.75000000000000 0.00000000000000 0.15158874368510 85.468 > 6 71 Rb 0.25000000000000 0.50000000000000 0.15158874368510 85.468 > 6 72 Rb 0.75000000000000 0.50000000000000 0.15158874368510 85.468 > 6 73 Rb 0.00000000000000 0.25000000000000 0.84841125631490 85.468 > 5 74 Rb 0.50000000000000 0.25000000000000 0.84841125631490 85.468 > 5 75 Rb 0.00000000000000 0.75000000000000 0.84841125631490 85.468 > 5 76 Rb 0.50000000000000 0.75000000000000 0.84841125631490 85.468 > 5 77 Rb 0.25000000000000 0.25000000000000 0.65158874368510 85.468 > 6 78 Rb 0.75000000000000 0.25000000000000 0.65158874368510 85.468 > 6 79 Rb 0.25000000000000 0.75000000000000 0.65158874368510 85.468 > 6 80 Rb 0.75000000000000 0.75000000000000 0.65158874368510 85.468 > 6 81 Rb 0.25000000000000 0.00000000000000 0.84841125631490 85.468 > 5 82 Rb 0.75000000000000 0.00000000000000 0.84841125631490 85.468 > 5 83 Rb 0.25000000000000 0.50000000000000 0.84841125631490 85.468 > 5 84 Rb 0.75000000000000 0.50000000000000 0.84841125631490 85.468 > 5 85 Rb 0.00000000000000 0.00000000000000 0.65158874368510 85.468 > 6 86 Rb 0.50000000000000 0.00000000000000 0.65158874368510 85.468 > 6 87 Rb 0.00000000000000 0.50000000000000 0.65158874368510 85.468 > 6 88 Rb 0.50000000000000 0.50000000000000 0.65158874368510 85.468 > 6 89 Rb 0.25000000000000 0.25000000000000 0.34841125631490 85.468 > 5 90 Rb 0.75000000000000 0.25000000000000 0.34841125631490 85.468 > 5 91 Rb 0.25000000000000 0.75000000000000 0.34841125631490 85.468 > 5 92 Rb 0.75000000000000 0.75000000000000 0.34841125631490 85.468 > 5 93 Rb 0.00000000000000 0.25000000000000 0.15158874368510 85.468 > 6 94 Rb 0.50000000000000 0.25000000000000 0.15158874368510 85.468 > 6 95 Rb 0.00000000000000 0.75000000000000 0.15158874368510 85.468 > 6 96 Rb 0.50000000000000 0.75000000000000 0.15158874368510 85.468 > 6 *97 Pt 0.37500000000000 0.37500000000000 0.00000000000000 195.084 > 7 98 Pt 0.87500000000000 0.37500000000000 0.00000000000000 195.084 > 7 99 Pt 0.37500000000000 0.87500000000000 0.00000000000000 195.084 > 7 100 Pt 0.87500000000000 0.87500000000000 0.00000000000000 195.084 > 7 101 Pt 0.37500000000000 0.12500000000000 0.00000000000000 195.084 > 8 102 Pt 0.87500000000000 0.12500000000000 0.00000000000000 195.084 > 8 103 Pt 0.37500000000000 0.62500000000000 0.00000000000000 195.084 > 8 104 Pt 0.87500000000000 0.62500000000000 0.00000000000000 195.084 > 8 *105 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 9 106 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 9 107 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 9 108 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 9 109 Pt 0.37500000000000 0.12500000000000 0.50000000000000 195.084 > 7 110 Pt 0.87500000000000 0.12500000000000 0.50000000000000 195.084 > 7 111 Pt 0.37500000000000 0.62500000000000 0.50000000000000 195.084 > 7 112 Pt 0.87500000000000 0.62500000000000 0.50000000000000 195.084 > 7 113 Pt 0.37500000000000 0.37500000000000 0.50000000000000 195.084 > 8 114 Pt 0.87500000000000 0.37500000000000 0.50000000000000 195.084 > 8 115 Pt 0.37500000000000 0.87500000000000 0.50000000000000 195.084 > 8 116 Pt 0.87500000000000 0.87500000000000 0.50000000000000 195.084 > 8 117 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 9 118 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 9 119 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 9 120 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 9 121 Pt 0.12500000000000 0.37500000000000 0.50000000000000 195.084 > 7 122 Pt 0.62500000000000 0.37500000000000 0.50000000000000 195.084 > 7 123 Pt 0.12500000000000 0.87500000000000 0.50000000000000 195.084 > 7 124 Pt 0.62500000000000 0.87500000000000 0.50000000000000 195.084 > 7 125 Pt 0.12500000000000 0.12500000000000 0.50000000000000 195.084 > 8 126 Pt 0.62500000000000 0.12500000000000 0.50000000000000 195.084 > 8 127 Pt 0.12500000000000 0.62500000000000 0.50000000000000 195.084 > 8 128 Pt 0.62500000000000 0.62500000000000 0.50000000000000 195.084 > 8 129 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 9 130 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 9 131 Pt 0.25000000000000 0.50000000000000 0.50000000000000 195.084 > 9 132 Pt 0.75000000000000 0.50000000000000 0.50000000000000 195.084 > 9 133 Pt 0.12500000000000 0.12500000000000 0.00000000000000 195.084 > 7 134 Pt 0.62500000000000 0.12500000000000 0.00000000000000 195.084 > 7 135 Pt 0.12500000000000 0.62500000000000 0.00000000000000 195.084 > 7 136 Pt 0.62500000000000 0.62500000000000 0.00000000000000 195.084 > 7 137 Pt 0.12500000000000 0.37500000000000 0.00000000000000 195.084 > 8 138 Pt 0.62500000000000 0.37500000000000 0.00000000000000 195.084 > 8 139 Pt 0.12500000000000 0.87500000000000 0.00000000000000 195.084 > 8 140 Pt 0.62500000000000 0.87500000000000 0.00000000000000 195.084 > 8 141 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 9 142 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 9 143 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 9 144 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3716485 0.0000000 0.0000000 0.0000000 7.4671598 0.0000000 0.0000000 0.0000000 4.5627929 -------------------------- Born effective charges -------------------------- 1 S -0.8648337 0.0000000 0.0000000 0.0000000 -0.9244352 -0.1201883 0.0000000 -0.0371856 -0.9057342 2 S -0.8648337 0.0000000 0.0000000 0.0000000 -0.9244352 -0.1201883 0.0000000 -0.0371856 -0.9057342 3 S -0.8648337 0.0000000 0.0000000 0.0000000 -0.9244352 0.1201883 0.0000000 0.0371856 -0.9057342 4 S -0.8648337 0.0000000 0.0000000 0.0000000 -0.9244352 0.1201883 0.0000000 0.0371856 -0.9057342 5 Rb 1.3757140 0.0000000 0.0000000 0.0000000 1.5747438 0.0000000 0.0000000 0.0000000 1.3261337 6 Rb 1.3757140 0.0000000 0.0000000 0.0000000 1.5747438 0.0000000 0.0000000 0.0000000 1.3261337 7 Pt 0.7280904 0.8861544 0.0000000 0.9720351 -0.3362697 0.0000000 0.0000000 0.0000000 0.3506991 8 Pt 0.7280904 -0.8861544 0.0000000 -0.9720351 -0.3362697 0.0000000 0.0000000 0.0000000 0.3506991 9 Pt -0.7482739 0.0000000 0.0000000 0.0000000 1.2207926 0.0000000 0.0000000 0.0000000 0.2692715 ---------------------------------------------------------------------------- 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: 7506/7506 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 908 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: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 129 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 100 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (100, 100), data: True |-- (129, 127), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 160 - Time: 1.099 Solver_block: 160 / 160 - Time: 0.692 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.814 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 7506/7506 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 908 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: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 129 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 100 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (100, 100), data: True |-- (129, 127), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:59:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:59:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.422180160000000 6.403581380000000 b 3.191068660000000 0.000000000000000 6.403581380000000 c 3.191068660000000 5.422180160000000 0.000000000000000 Atomic positions (fractional): 1 S 0.05334432165406 0.71719435138740 0.28280564861260 32.065 2 S 0.94665567834594 0.28280564861260 0.71719435138740 32.065 3 S 0.28280564861260 0.94665567834594 0.05334432165406 32.065 4 S 0.71719435138740 0.05334432165406 0.94665567834594 32.065 5 Rb 0.34841125631490 0.34841125631490 0.65158874368510 85.468 6 Rb 0.65158874368510 0.65158874368510 0.34841125631490 85.468 7 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 8 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.764274640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 21.688720640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.807162760000001 Atomic positions (fractional): 1 S 0.00000000000000 0.33403749256666 0.38526933652073 32.065 > 1 2 S 0.50000000000000 0.33403749256666 0.38526933652073 32.065 > 1 3 S 0.00000000000000 0.83403749256666 0.38526933652073 32.065 > 1 4 S 0.50000000000000 0.83403749256666 0.38526933652073 32.065 > 1 5 S 0.25000000000000 0.16596250743334 0.11473066347927 32.065 > 5 6 S 0.75000000000000 0.16596250743334 0.11473066347927 32.065 > 5 7 S 0.25000000000000 0.66596250743334 0.11473066347927 32.065 > 5 8 S 0.75000000000000 0.66596250743334 0.11473066347927 32.065 > 5 9 S 0.25000000000000 0.33403749256666 0.11473066347927 32.065 > 9 10 S 0.75000000000000 0.33403749256666 0.11473066347927 32.065 > 9 11 S 0.25000000000000 0.83403749256666 0.11473066347927 32.065 > 9 12 S 0.75000000000000 0.83403749256666 0.11473066347927 32.065 > 9 13 S 0.00000000000000 0.16596250743334 0.38526933652073 32.065 > 13 14 S 0.50000000000000 0.16596250743334 0.38526933652073 32.065 > 13 15 S 0.00000000000000 0.66596250743334 0.38526933652073 32.065 > 13 16 S 0.50000000000000 0.66596250743334 0.38526933652073 32.065 > 13 17 S 0.00000000000000 0.08403749256666 0.88526933652073 32.065 > 1 18 S 0.50000000000000 0.08403749256666 0.88526933652073 32.065 > 1 19 S 0.00000000000000 0.58403749256666 0.88526933652073 32.065 > 1 20 S 0.50000000000000 0.58403749256666 0.88526933652073 32.065 > 1 21 S 0.25000000000000 0.41596250743334 0.61473066347927 32.065 > 5 22 S 0.75000000000000 0.41596250743334 0.61473066347927 32.065 > 5 23 S 0.25000000000000 0.91596250743334 0.61473066347927 32.065 > 5 24 S 0.75000000000000 0.91596250743334 0.61473066347927 32.065 > 5 25 S 0.25000000000000 0.08403749256666 0.61473066347927 32.065 > 9 26 S 0.75000000000000 0.08403749256666 0.61473066347927 32.065 > 9 27 S 0.25000000000000 0.58403749256666 0.61473066347927 32.065 > 9 28 S 0.75000000000000 0.58403749256666 0.61473066347927 32.065 > 9 29 S 0.00000000000000 0.41596250743334 0.88526933652073 32.065 > 13 30 S 0.50000000000000 0.41596250743334 0.88526933652073 32.065 > 13 31 S 0.00000000000000 0.91596250743334 0.88526933652073 32.065 > 13 32 S 0.50000000000000 0.91596250743334 0.88526933652073 32.065 > 13 33 S 0.25000000000000 0.33403749256666 0.88526933652073 32.065 > 1 34 S 0.75000000000000 0.33403749256666 0.88526933652073 32.065 > 1 35 S 0.25000000000000 0.83403749256666 0.88526933652073 32.065 > 1 36 S 0.75000000000000 0.83403749256666 0.88526933652073 32.065 > 1 37 S 0.00000000000000 0.16596250743334 0.61473066347927 32.065 > 5 38 S 0.50000000000000 0.16596250743334 0.61473066347927 32.065 > 5 39 S 0.00000000000000 0.66596250743334 0.61473066347927 32.065 > 5 40 S 0.50000000000000 0.66596250743334 0.61473066347927 32.065 > 5 41 S 0.00000000000000 0.33403749256666 0.61473066347927 32.065 > 9 42 S 0.50000000000000 0.33403749256666 0.61473066347927 32.065 > 9 43 S 0.00000000000000 0.83403749256666 0.61473066347927 32.065 > 9 44 S 0.50000000000000 0.83403749256666 0.61473066347927 32.065 > 9 45 S 0.25000000000000 0.16596250743334 0.88526933652073 32.065 > 13 46 S 0.75000000000000 0.16596250743334 0.88526933652073 32.065 > 13 47 S 0.25000000000000 0.66596250743334 0.88526933652073 32.065 > 13 48 S 0.75000000000000 0.66596250743334 0.88526933652073 32.065 > 13 49 S 0.25000000000000 0.08403749256666 0.38526933652073 32.065 > 1 50 S 0.75000000000000 0.08403749256666 0.38526933652073 32.065 > 1 51 S 0.25000000000000 0.58403749256666 0.38526933652073 32.065 > 1 52 S 0.75000000000000 0.58403749256666 0.38526933652073 32.065 > 1 53 S 0.00000000000000 0.41596250743334 0.11473066347927 32.065 > 5 54 S 0.50000000000000 0.41596250743334 0.11473066347927 32.065 > 5 55 S 0.00000000000000 0.91596250743334 0.11473066347927 32.065 > 5 56 S 0.50000000000000 0.91596250743334 0.11473066347927 32.065 > 5 57 S 0.00000000000000 0.08403749256666 0.11473066347927 32.065 > 9 58 S 0.50000000000000 0.08403749256666 0.11473066347927 32.065 > 9 59 S 0.00000000000000 0.58403749256666 0.11473066347927 32.065 > 9 60 S 0.50000000000000 0.58403749256666 0.11473066347927 32.065 > 9 61 S 0.25000000000000 0.41596250743334 0.38526933652073 32.065 > 13 62 S 0.75000000000000 0.41596250743334 0.38526933652073 32.065 > 13 63 S 0.25000000000000 0.91596250743334 0.38526933652073 32.065 > 13 64 S 0.75000000000000 0.91596250743334 0.38526933652073 32.065 > 13 65 Rb 0.00000000000000 0.00000000000000 0.34841125631490 85.468 > 65 66 Rb 0.50000000000000 0.00000000000000 0.34841125631490 85.468 > 65 67 Rb 0.00000000000000 0.50000000000000 0.34841125631490 85.468 > 65 68 Rb 0.50000000000000 0.50000000000000 0.34841125631490 85.468 > 65 69 Rb 0.25000000000000 0.00000000000000 0.15158874368510 85.468 > 69 70 Rb 0.75000000000000 0.00000000000000 0.15158874368510 85.468 > 69 71 Rb 0.25000000000000 0.50000000000000 0.15158874368510 85.468 > 69 72 Rb 0.75000000000000 0.50000000000000 0.15158874368510 85.468 > 69 73 Rb 0.00000000000000 0.25000000000000 0.84841125631490 85.468 > 65 74 Rb 0.50000000000000 0.25000000000000 0.84841125631490 85.468 > 65 75 Rb 0.00000000000000 0.75000000000000 0.84841125631490 85.468 > 65 76 Rb 0.50000000000000 0.75000000000000 0.84841125631490 85.468 > 65 77 Rb 0.25000000000000 0.25000000000000 0.65158874368510 85.468 > 69 78 Rb 0.75000000000000 0.25000000000000 0.65158874368510 85.468 > 69 79 Rb 0.25000000000000 0.75000000000000 0.65158874368510 85.468 > 69 80 Rb 0.75000000000000 0.75000000000000 0.65158874368510 85.468 > 69 81 Rb 0.25000000000000 0.00000000000000 0.84841125631490 85.468 > 65 82 Rb 0.75000000000000 0.00000000000000 0.84841125631490 85.468 > 65 83 Rb 0.25000000000000 0.50000000000000 0.84841125631490 85.468 > 65 84 Rb 0.75000000000000 0.50000000000000 0.84841125631490 85.468 > 65 85 Rb 0.00000000000000 0.00000000000000 0.65158874368510 85.468 > 69 86 Rb 0.50000000000000 0.00000000000000 0.65158874368510 85.468 > 69 87 Rb 0.00000000000000 0.50000000000000 0.65158874368510 85.468 > 69 88 Rb 0.50000000000000 0.50000000000000 0.65158874368510 85.468 > 69 89 Rb 0.25000000000000 0.25000000000000 0.34841125631490 85.468 > 65 90 Rb 0.75000000000000 0.25000000000000 0.34841125631490 85.468 > 65 91 Rb 0.25000000000000 0.75000000000000 0.34841125631490 85.468 > 65 92 Rb 0.75000000000000 0.75000000000000 0.34841125631490 85.468 > 65 93 Rb 0.00000000000000 0.25000000000000 0.15158874368510 85.468 > 69 94 Rb 0.50000000000000 0.25000000000000 0.15158874368510 85.468 > 69 95 Rb 0.00000000000000 0.75000000000000 0.15158874368510 85.468 > 69 96 Rb 0.50000000000000 0.75000000000000 0.15158874368510 85.468 > 69 97 Pt 0.37500000000000 0.37500000000000 0.00000000000000 195.084 > 97 98 Pt 0.87500000000000 0.37500000000000 0.00000000000000 195.084 > 97 99 Pt 0.37500000000000 0.87500000000000 0.00000000000000 195.084 > 97 100 Pt 0.87500000000000 0.87500000000000 0.00000000000000 195.084 > 97 101 Pt 0.37500000000000 0.12500000000000 0.00000000000000 195.084 > 101 102 Pt 0.87500000000000 0.12500000000000 0.00000000000000 195.084 > 101 103 Pt 0.37500000000000 0.62500000000000 0.00000000000000 195.084 > 101 104 Pt 0.87500000000000 0.62500000000000 0.00000000000000 195.084 > 101 105 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 105 106 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 105 107 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 105 108 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 105 109 Pt 0.37500000000000 0.12500000000000 0.50000000000000 195.084 > 97 110 Pt 0.87500000000000 0.12500000000000 0.50000000000000 195.084 > 97 111 Pt 0.37500000000000 0.62500000000000 0.50000000000000 195.084 > 97 112 Pt 0.87500000000000 0.62500000000000 0.50000000000000 195.084 > 97 113 Pt 0.37500000000000 0.37500000000000 0.50000000000000 195.084 > 101 114 Pt 0.87500000000000 0.37500000000000 0.50000000000000 195.084 > 101 115 Pt 0.37500000000000 0.87500000000000 0.50000000000000 195.084 > 101 116 Pt 0.87500000000000 0.87500000000000 0.50000000000000 195.084 > 101 117 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 105 118 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 105 119 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 105 120 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 105 121 Pt 0.12500000000000 0.37500000000000 0.50000000000000 195.084 > 97 122 Pt 0.62500000000000 0.37500000000000 0.50000000000000 195.084 > 97 123 Pt 0.12500000000000 0.87500000000000 0.50000000000000 195.084 > 97 124 Pt 0.62500000000000 0.87500000000000 0.50000000000000 195.084 > 97 125 Pt 0.12500000000000 0.12500000000000 0.50000000000000 195.084 > 101 126 Pt 0.62500000000000 0.12500000000000 0.50000000000000 195.084 > 101 127 Pt 0.12500000000000 0.62500000000000 0.50000000000000 195.084 > 101 128 Pt 0.62500000000000 0.62500000000000 0.50000000000000 195.084 > 101 129 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 105 130 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 105 131 Pt 0.25000000000000 0.50000000000000 0.50000000000000 195.084 > 105 132 Pt 0.75000000000000 0.50000000000000 0.50000000000000 195.084 > 105 133 Pt 0.12500000000000 0.12500000000000 0.00000000000000 195.084 > 97 134 Pt 0.62500000000000 0.12500000000000 0.00000000000000 195.084 > 97 135 Pt 0.12500000000000 0.62500000000000 0.00000000000000 195.084 > 97 136 Pt 0.62500000000000 0.62500000000000 0.00000000000000 195.084 > 97 137 Pt 0.12500000000000 0.37500000000000 0.00000000000000 195.084 > 101 138 Pt 0.62500000000000 0.37500000000000 0.00000000000000 195.084 > 101 139 Pt 0.12500000000000 0.87500000000000 0.00000000000000 195.084 > 101 140 Pt 0.62500000000000 0.87500000000000 0.00000000000000 195.084 > 101 141 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 105 142 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 105 143 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 105 144 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3716485 0.0000000 0.0000000 0.0000000 7.4671598 0.0000000 0.0000000 0.0000000 4.5627929 -------------------------- Born effective charges -------------------------- 1 S -0.8648337 0.0000000 0.0000000 0.0000000 -0.9244352 -0.1201883 0.0000000 -0.0371856 -0.9057342 2 S -0.8648337 0.0000000 0.0000000 0.0000000 -0.9244352 -0.1201883 0.0000000 -0.0371856 -0.9057342 3 S -0.8648337 0.0000000 0.0000000 0.0000000 -0.9244352 0.1201883 0.0000000 0.0371856 -0.9057342 4 S -0.8648337 0.0000000 0.0000000 0.0000000 -0.9244352 0.1201883 0.0000000 0.0371856 -0.9057342 5 Rb 1.3757140 0.0000000 0.0000000 0.0000000 1.5747438 0.0000000 0.0000000 0.0000000 1.3261337 6 Rb 1.3757140 0.0000000 0.0000000 0.0000000 1.5747438 0.0000000 0.0000000 0.0000000 1.3261337 7 Pt 0.7280904 0.8861544 0.0000000 0.9720351 -0.3362697 0.0000000 0.0000000 0.0000000 0.3506991 8 Pt 0.7280904 -0.8861544 0.0000000 -0.9720351 -0.3362697 0.0000000 0.0000000 0.0000000 0.3506991 9 Pt -0.7482739 0.0000000 0.0000000 0.0000000 1.2207926 0.0000000 0.0000000 0.0000000 0.2692715 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, 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 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:59:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:59:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.422180160000000 6.403581380000000 b 3.191068660000000 0.000000000000000 6.403581380000000 c 3.191068660000000 5.422180160000000 0.000000000000000 Atomic positions (fractional): 1 S 0.05334432165406 0.71719435138740 0.28280564861260 32.065 2 S 0.94665567834594 0.28280564861260 0.71719435138740 32.065 3 S 0.28280564861260 0.94665567834594 0.05334432165406 32.065 4 S 0.71719435138740 0.05334432165406 0.94665567834594 32.065 5 Rb 0.34841125631490 0.34841125631490 0.65158874368510 85.468 6 Rb 0.65158874368510 0.65158874368510 0.34841125631490 85.468 7 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 8 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.764274640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 21.688720640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.807162760000001 Atomic positions (fractional): 1 S 0.00000000000000 0.33403749256666 0.38526933652073 32.065 > 1 2 S 0.50000000000000 0.33403749256666 0.38526933652073 32.065 > 1 3 S 0.00000000000000 0.83403749256666 0.38526933652073 32.065 > 1 4 S 0.50000000000000 0.83403749256666 0.38526933652073 32.065 > 1 5 S 0.25000000000000 0.16596250743334 0.11473066347927 32.065 > 5 6 S 0.75000000000000 0.16596250743334 0.11473066347927 32.065 > 5 7 S 0.25000000000000 0.66596250743334 0.11473066347927 32.065 > 5 8 S 0.75000000000000 0.66596250743334 0.11473066347927 32.065 > 5 9 S 0.25000000000000 0.33403749256666 0.11473066347927 32.065 > 9 10 S 0.75000000000000 0.33403749256666 0.11473066347927 32.065 > 9 11 S 0.25000000000000 0.83403749256666 0.11473066347927 32.065 > 9 12 S 0.75000000000000 0.83403749256666 0.11473066347927 32.065 > 9 13 S 0.00000000000000 0.16596250743334 0.38526933652073 32.065 > 13 14 S 0.50000000000000 0.16596250743334 0.38526933652073 32.065 > 13 15 S 0.00000000000000 0.66596250743334 0.38526933652073 32.065 > 13 16 S 0.50000000000000 0.66596250743334 0.38526933652073 32.065 > 13 17 S 0.00000000000000 0.08403749256666 0.88526933652073 32.065 > 1 18 S 0.50000000000000 0.08403749256666 0.88526933652073 32.065 > 1 19 S 0.00000000000000 0.58403749256666 0.88526933652073 32.065 > 1 20 S 0.50000000000000 0.58403749256666 0.88526933652073 32.065 > 1 21 S 0.25000000000000 0.41596250743334 0.61473066347927 32.065 > 5 22 S 0.75000000000000 0.41596250743334 0.61473066347927 32.065 > 5 23 S 0.25000000000000 0.91596250743334 0.61473066347927 32.065 > 5 24 S 0.75000000000000 0.91596250743334 0.61473066347927 32.065 > 5 25 S 0.25000000000000 0.08403749256666 0.61473066347927 32.065 > 9 26 S 0.75000000000000 0.08403749256666 0.61473066347927 32.065 > 9 27 S 0.25000000000000 0.58403749256666 0.61473066347927 32.065 > 9 28 S 0.75000000000000 0.58403749256666 0.61473066347927 32.065 > 9 29 S 0.00000000000000 0.41596250743334 0.88526933652073 32.065 > 13 30 S 0.50000000000000 0.41596250743334 0.88526933652073 32.065 > 13 31 S 0.00000000000000 0.91596250743334 0.88526933652073 32.065 > 13 32 S 0.50000000000000 0.91596250743334 0.88526933652073 32.065 > 13 33 S 0.25000000000000 0.33403749256666 0.88526933652073 32.065 > 1 34 S 0.75000000000000 0.33403749256666 0.88526933652073 32.065 > 1 35 S 0.25000000000000 0.83403749256666 0.88526933652073 32.065 > 1 36 S 0.75000000000000 0.83403749256666 0.88526933652073 32.065 > 1 37 S 0.00000000000000 0.16596250743334 0.61473066347927 32.065 > 5 38 S 0.50000000000000 0.16596250743334 0.61473066347927 32.065 > 5 39 S 0.00000000000000 0.66596250743334 0.61473066347927 32.065 > 5 40 S 0.50000000000000 0.66596250743334 0.61473066347927 32.065 > 5 41 S 0.00000000000000 0.33403749256666 0.61473066347927 32.065 > 9 42 S 0.50000000000000 0.33403749256666 0.61473066347927 32.065 > 9 43 S 0.00000000000000 0.83403749256666 0.61473066347927 32.065 > 9 44 S 0.50000000000000 0.83403749256666 0.61473066347927 32.065 > 9 45 S 0.25000000000000 0.16596250743334 0.88526933652073 32.065 > 13 46 S 0.75000000000000 0.16596250743334 0.88526933652073 32.065 > 13 47 S 0.25000000000000 0.66596250743334 0.88526933652073 32.065 > 13 48 S 0.75000000000000 0.66596250743334 0.88526933652073 32.065 > 13 49 S 0.25000000000000 0.08403749256666 0.38526933652073 32.065 > 1 50 S 0.75000000000000 0.08403749256666 0.38526933652073 32.065 > 1 51 S 0.25000000000000 0.58403749256666 0.38526933652073 32.065 > 1 52 S 0.75000000000000 0.58403749256666 0.38526933652073 32.065 > 1 53 S 0.00000000000000 0.41596250743334 0.11473066347927 32.065 > 5 54 S 0.50000000000000 0.41596250743334 0.11473066347927 32.065 > 5 55 S 0.00000000000000 0.91596250743334 0.11473066347927 32.065 > 5 56 S 0.50000000000000 0.91596250743334 0.11473066347927 32.065 > 5 57 S 0.00000000000000 0.08403749256666 0.11473066347927 32.065 > 9 58 S 0.50000000000000 0.08403749256666 0.11473066347927 32.065 > 9 59 S 0.00000000000000 0.58403749256666 0.11473066347927 32.065 > 9 60 S 0.50000000000000 0.58403749256666 0.11473066347927 32.065 > 9 61 S 0.25000000000000 0.41596250743334 0.38526933652073 32.065 > 13 62 S 0.75000000000000 0.41596250743334 0.38526933652073 32.065 > 13 63 S 0.25000000000000 0.91596250743334 0.38526933652073 32.065 > 13 64 S 0.75000000000000 0.91596250743334 0.38526933652073 32.065 > 13 65 Rb 0.00000000000000 0.00000000000000 0.34841125631490 85.468 > 65 66 Rb 0.50000000000000 0.00000000000000 0.34841125631490 85.468 > 65 67 Rb 0.00000000000000 0.50000000000000 0.34841125631490 85.468 > 65 68 Rb 0.50000000000000 0.50000000000000 0.34841125631490 85.468 > 65 69 Rb 0.25000000000000 0.00000000000000 0.15158874368510 85.468 > 69 70 Rb 0.75000000000000 0.00000000000000 0.15158874368510 85.468 > 69 71 Rb 0.25000000000000 0.50000000000000 0.15158874368510 85.468 > 69 72 Rb 0.75000000000000 0.50000000000000 0.15158874368510 85.468 > 69 73 Rb 0.00000000000000 0.25000000000000 0.84841125631490 85.468 > 65 74 Rb 0.50000000000000 0.25000000000000 0.84841125631490 85.468 > 65 75 Rb 0.00000000000000 0.75000000000000 0.84841125631490 85.468 > 65 76 Rb 0.50000000000000 0.75000000000000 0.84841125631490 85.468 > 65 77 Rb 0.25000000000000 0.25000000000000 0.65158874368510 85.468 > 69 78 Rb 0.75000000000000 0.25000000000000 0.65158874368510 85.468 > 69 79 Rb 0.25000000000000 0.75000000000000 0.65158874368510 85.468 > 69 80 Rb 0.75000000000000 0.75000000000000 0.65158874368510 85.468 > 69 81 Rb 0.25000000000000 0.00000000000000 0.84841125631490 85.468 > 65 82 Rb 0.75000000000000 0.00000000000000 0.84841125631490 85.468 > 65 83 Rb 0.25000000000000 0.50000000000000 0.84841125631490 85.468 > 65 84 Rb 0.75000000000000 0.50000000000000 0.84841125631490 85.468 > 65 85 Rb 0.00000000000000 0.00000000000000 0.65158874368510 85.468 > 69 86 Rb 0.50000000000000 0.00000000000000 0.65158874368510 85.468 > 69 87 Rb 0.00000000000000 0.50000000000000 0.65158874368510 85.468 > 69 88 Rb 0.50000000000000 0.50000000000000 0.65158874368510 85.468 > 69 89 Rb 0.25000000000000 0.25000000000000 0.34841125631490 85.468 > 65 90 Rb 0.75000000000000 0.25000000000000 0.34841125631490 85.468 > 65 91 Rb 0.25000000000000 0.75000000000000 0.34841125631490 85.468 > 65 92 Rb 0.75000000000000 0.75000000000000 0.34841125631490 85.468 > 65 93 Rb 0.00000000000000 0.25000000000000 0.15158874368510 85.468 > 69 94 Rb 0.50000000000000 0.25000000000000 0.15158874368510 85.468 > 69 95 Rb 0.00000000000000 0.75000000000000 0.15158874368510 85.468 > 69 96 Rb 0.50000000000000 0.75000000000000 0.15158874368510 85.468 > 69 97 Pt 0.37500000000000 0.37500000000000 0.00000000000000 195.084 > 97 98 Pt 0.87500000000000 0.37500000000000 0.00000000000000 195.084 > 97 99 Pt 0.37500000000000 0.87500000000000 0.00000000000000 195.084 > 97 100 Pt 0.87500000000000 0.87500000000000 0.00000000000000 195.084 > 97 101 Pt 0.37500000000000 0.12500000000000 0.00000000000000 195.084 > 101 102 Pt 0.87500000000000 0.12500000000000 0.00000000000000 195.084 > 101 103 Pt 0.37500000000000 0.62500000000000 0.00000000000000 195.084 > 101 104 Pt 0.87500000000000 0.62500000000000 0.00000000000000 195.084 > 101 105 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 105 106 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 105 107 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 105 108 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 105 109 Pt 0.37500000000000 0.12500000000000 0.50000000000000 195.084 > 97 110 Pt 0.87500000000000 0.12500000000000 0.50000000000000 195.084 > 97 111 Pt 0.37500000000000 0.62500000000000 0.50000000000000 195.084 > 97 112 Pt 0.87500000000000 0.62500000000000 0.50000000000000 195.084 > 97 113 Pt 0.37500000000000 0.37500000000000 0.50000000000000 195.084 > 101 114 Pt 0.87500000000000 0.37500000000000 0.50000000000000 195.084 > 101 115 Pt 0.37500000000000 0.87500000000000 0.50000000000000 195.084 > 101 116 Pt 0.87500000000000 0.87500000000000 0.50000000000000 195.084 > 101 117 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 105 118 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 105 119 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 105 120 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 105 121 Pt 0.12500000000000 0.37500000000000 0.50000000000000 195.084 > 97 122 Pt 0.62500000000000 0.37500000000000 0.50000000000000 195.084 > 97 123 Pt 0.12500000000000 0.87500000000000 0.50000000000000 195.084 > 97 124 Pt 0.62500000000000 0.87500000000000 0.50000000000000 195.084 > 97 125 Pt 0.12500000000000 0.12500000000000 0.50000000000000 195.084 > 101 126 Pt 0.62500000000000 0.12500000000000 0.50000000000000 195.084 > 101 127 Pt 0.12500000000000 0.62500000000000 0.50000000000000 195.084 > 101 128 Pt 0.62500000000000 0.62500000000000 0.50000000000000 195.084 > 101 129 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 105 130 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 105 131 Pt 0.25000000000000 0.50000000000000 0.50000000000000 195.084 > 105 132 Pt 0.75000000000000 0.50000000000000 0.50000000000000 195.084 > 105 133 Pt 0.12500000000000 0.12500000000000 0.00000000000000 195.084 > 97 134 Pt 0.62500000000000 0.12500000000000 0.00000000000000 195.084 > 97 135 Pt 0.12500000000000 0.62500000000000 0.00000000000000 195.084 > 97 136 Pt 0.62500000000000 0.62500000000000 0.00000000000000 195.084 > 97 137 Pt 0.12500000000000 0.37500000000000 0.00000000000000 195.084 > 101 138 Pt 0.62500000000000 0.37500000000000 0.00000000000000 195.084 > 101 139 Pt 0.12500000000000 0.87500000000000 0.00000000000000 195.084 > 101 140 Pt 0.62500000000000 0.87500000000000 0.00000000000000 195.084 > 101 141 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 105 142 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 105 143 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 105 144 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.3716485 0.0000000 0.0000000 0.0000000 7.4671598 0.0000000 0.0000000 0.0000000 4.5627929 -------------------------- Born effective charges -------------------------- 1 S -0.8648337 0.0000000 0.0000000 0.0000000 -0.9244352 -0.1201883 0.0000000 -0.0371856 -0.9057342 2 S -0.8648337 0.0000000 0.0000000 0.0000000 -0.9244352 -0.1201883 0.0000000 -0.0371856 -0.9057342 3 S -0.8648337 0.0000000 0.0000000 0.0000000 -0.9244352 0.1201883 0.0000000 0.0371856 -0.9057342 4 S -0.8648337 0.0000000 0.0000000 0.0000000 -0.9244352 0.1201883 0.0000000 0.0371856 -0.9057342 5 Rb 1.3757140 0.0000000 0.0000000 0.0000000 1.5747438 0.0000000 0.0000000 0.0000000 1.3261337 6 Rb 1.3757140 0.0000000 0.0000000 0.0000000 1.5747438 0.0000000 0.0000000 0.0000000 1.3261337 7 Pt 0.7280904 0.8861544 0.0000000 0.9720351 -0.3362697 0.0000000 0.0000000 0.0000000 0.3506991 8 Pt 0.7280904 -0.8861544 0.0000000 -0.9720351 -0.3362697 0.0000000 0.0000000 0.0000000 0.3506991 9 Pt -0.7482739 0.0000000 0.0000000 0.0000000 1.2207926 0.0000000 0.0000000 0.0000000 0.2692715 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] 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: 0.69, Number of G-points: 303, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/171) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.797 ( 0.000 0.000 0.000) 0.000 1.922 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 1.955 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 7.948 ( 0.000 0.000 0.000) 0.000 8.029 ( 0.000 0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.061 ( 0.000 0.000 0.000) 0.000 8.651 ( 0.000 0.000 0.000) 0.000 8.713 ( 0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.054 ( 0.000 0.000 0.000) 0.000 9.652 ( 0.000 0.000 0.000) 0.000 9.694 ( 0.000 0.000 0.000) 0.000 11.738 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/171) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.212 ( -6.561 5.495 8.121) 11.798 0.234 ( -8.901 5.810 5.675) 12.049 0.567 ( -24.709 16.784 2.333) 29.962 1.575 ( -0.665 -0.457 0.437) 0.918 1.733 ( 0.550 -1.137 -2.659) 2.944 1.811 ( -0.666 -9.648 1.679) 9.816 1.945 ( -2.686 0.637 -1.143) 2.988 1.984 ( -1.722 1.894 -0.897) 2.713 2.174 ( 8.064 8.167 3.511) 12.003 2.430 ( 0.161 -0.133 -0.717) 0.747 2.959 ( 3.792 -4.829 0.616) 6.171 3.049 ( 5.653 -0.015 -0.105) 5.654 3.407 ( 2.295 -4.131 0.048) 4.726 3.472 ( 3.839 0.529 0.055) 3.876 5.022 ( 7.163 -3.112 0.092) 7.810 7.771 ( 10.519 -4.281 2.180) 11.564 7.922 ( 2.079 -1.499 0.290) 2.580 7.946 ( 2.022 0.603 0.292) 2.130 8.087 ( -2.433 1.571 -0.061) 2.896 8.341 ( -15.957 6.038 3.171) 17.354 8.657 ( 2.535 2.579 0.277) 3.627 8.825 ( 0.473 -2.321 -2.103) 3.168 9.026 ( 1.343 2.842 -0.245) 3.153 9.088 ( -4.749 -0.821 -0.230) 4.825 9.697 ( -0.479 0.657 -0.468) 0.938 9.763 ( -9.347 5.480 0.685) 10.857 11.712 ( 2.349 -1.430 -0.360) 2.773 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -9.287 5.671 4.274) 11.690 0.480 ( -9.682 6.687 5.760) 13.101 1.108 ( -22.918 15.462 0.964) 27.663 1.587 ( -0.958 -0.749 1.091) 1.634 1.686 ( 4.312 0.209 3.004) 5.259 1.752 ( -1.073 -4.681 -3.377) 5.871 1.960 ( -0.420 0.558 -4.201) 4.259 2.046 ( -3.776 4.370 -0.148) 5.778 2.150 ( 2.776 -0.224 3.169) 4.218 2.416 ( 0.310 -0.486 -1.124) 1.263 2.776 ( 11.381 -9.183 0.330) 14.628 2.963 ( 5.621 0.456 0.418) 5.655 3.275 ( 7.250 -7.488 0.123) 10.424 3.414 ( 4.787 0.509 0.085) 4.815 4.831 ( 11.717 -5.054 0.143) 12.761 7.626 ( 5.687 -1.906 0.847) 6.058 7.862 ( 3.983 -1.561 0.421) 4.299 7.929 ( 0.899 0.036 0.435) 0.999 8.147 ( -2.641 2.317 0.036) 3.514 8.640 ( 2.120 1.776 0.360) 2.789 8.671 ( -14.839 6.077 0.686) 16.050 8.786 ( -0.467 -1.476 0.282) 1.574 9.034 ( 0.919 2.885 0.196) 3.034 9.172 ( -6.198 0.238 -0.284) 6.210 9.704 ( 0.033 0.381 -0.325) 0.502 10.023 ( -14.005 8.292 0.632) 16.288 11.633 ( 4.695 -2.752 -0.771) 5.497 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -9.985 5.496 2.349) 11.637 0.758 ( -12.955 7.771 3.357) 15.476 1.490 ( -7.491 5.912 -1.863) 9.723 1.624 ( -1.519 0.594 1.110) 1.973 1.670 ( 1.092 -0.929 2.331) 2.736 1.734 ( -3.815 3.304 -0.100) 5.047 1.944 ( -4.338 1.533 -3.966) 6.074 2.131 ( 1.545 1.361 1.073) 2.321 2.177 ( -7.481 2.658 0.800) 7.979 2.396 ( 0.667 -1.671 -0.898) 2.011 2.467 ( 15.287 -9.657 0.145) 18.082 2.885 ( 4.772 -0.262 0.669) 4.826 3.063 ( 9.955 -8.698 0.150) 13.220 3.314 ( 8.108 -1.407 0.009) 8.229 4.593 ( 11.810 -5.087 0.142) 12.860 7.567 ( 1.307 -0.362 0.261) 1.381 7.781 ( 5.047 -1.281 0.602) 5.242 7.924 ( 0.188 -0.045 0.391) 0.436 8.206 ( -2.161 1.946 0.074) 2.909 8.626 ( 1.694 1.349 0.343) 2.192 8.732 ( 0.279 -1.241 -0.956) 1.591 9.000 ( -11.573 5.136 0.874) 12.692 9.059 ( -2.264 3.269 1.011) 4.103 9.269 ( -5.470 0.714 -0.248) 5.522 9.691 ( 1.438 -0.699 -0.233) 1.615 10.338 ( -14.687 8.711 0.710) 17.090 11.504 ( 6.830 -3.859 -1.119) 7.924 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -7.078 4.069 1.777) 8.355 1.075 ( -15.588 7.855 0.090) 17.455 1.531 ( 1.231 0.337 1.083) 1.674 1.626 ( 0.507 -1.158 0.341) 1.309 1.640 ( 0.706 -0.820 -0.266) 1.114 1.762 ( 2.777 1.655 -1.827) 3.713 2.073 ( 8.321 -5.718 0.454) 10.106 2.112 ( 4.813 -3.366 -0.316) 5.881 2.206 ( -8.625 4.614 -0.783) 9.813 2.352 ( -8.129 7.109 0.312) 10.803 2.440 ( -7.831 1.032 0.598) 7.922 2.815 ( 8.872 -7.061 0.268) 11.342 2.830 ( 4.596 -2.034 0.414) 5.043 3.123 ( 12.842 -3.994 -0.245) 13.451 4.401 ( 7.096 -3.072 0.092) 7.733 7.574 ( -1.897 0.385 -0.289) 1.958 7.696 ( 5.002 -0.946 0.754) 5.146 7.926 ( -0.069 -0.019 0.226) 0.237 8.247 ( -1.200 1.070 0.050) 1.609 8.618 ( 0.868 0.770 0.233) 1.183 8.713 ( 0.166 -0.741 -0.489) 0.904 9.057 ( 0.019 1.114 0.262) 1.144 9.277 ( -10.359 5.368 0.684) 11.687 9.343 ( -3.388 0.466 -0.129) 3.423 9.637 ( 3.548 -2.099 -0.137) 4.125 10.632 ( -11.941 6.976 0.760) 13.850 11.340 ( 7.559 -4.201 -1.112) 8.719 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.000 0.000 0.000) 0.000 1.292 ( -0.000 0.000 0.000) 0.000 1.513 ( -0.000 0.000 0.000) 0.000 1.617 ( -0.000 -0.000 0.000) 0.000 1.631 ( -0.000 0.000 0.000) 0.000 1.732 ( 0.000 -0.000 0.000) 0.000 1.866 ( -0.000 0.000 0.000) 0.000 2.104 ( -0.000 -0.000 0.000) 0.000 2.282 ( -0.000 0.000 0.000) 0.000 2.556 ( -0.000 0.000 0.000) 0.000 2.570 ( 0.000 -0.000 0.000) 0.000 2.643 ( -0.000 0.000 0.000) 0.000 2.806 ( -0.000 0.000 0.000) 0.000 2.920 ( 0.000 -0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 7.618 ( -0.000 0.000 -0.000) 0.000 7.627 ( 0.000 -0.000 0.000) 0.000 7.928 ( -0.000 -0.000 0.000) 0.000 8.262 ( -0.000 0.000 0.000) 0.000 8.616 ( -0.000 -0.000 0.000) 0.000 8.706 ( -0.000 0.000 0.000) 0.000 9.063 ( -0.000 0.000 0.000) 0.000 9.368 ( -0.000 0.000 0.000) 0.000 9.421 ( -0.000 -0.000 0.000) 0.000 9.570 ( -0.000 0.000 0.000) 0.000 10.787 ( -0.000 0.000 0.000) 0.000 11.231 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/171) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.151 ( 0.000 0.000 9.492) 9.492 0.178 ( 0.000 0.000 11.097) 11.097 0.306 ( 0.000 0.000 18.967) 18.967 1.576 ( 0.000 0.000 0.827) 0.827 1.640 ( -0.000 -0.000 -2.808) 2.808 1.917 ( -0.000 -0.000 -0.381) 0.381 1.939 ( -0.000 -0.000 -1.361) 1.361 1.972 ( 0.000 0.000 1.838) 1.838 2.233 ( -0.000 -0.000 -4.645) 4.645 2.454 ( 0.000 0.000 1.976) 1.976 3.016 ( 0.000 0.000 1.010) 1.010 3.099 ( -0.000 -0.000 -0.385) 0.385 3.437 ( 0.000 0.000 0.083) 0.083 3.508 ( 0.000 0.000 0.157) 0.157 5.095 ( 0.000 0.000 0.190) 0.190 7.947 ( -0.000 -0.000 -0.154) 0.154 7.962 ( 0.000 0.000 1.625) 1.625 8.028 ( -0.000 -0.000 -0.138) 0.138 8.058 ( -0.000 -0.000 -0.392) 0.392 8.261 ( -0.000 -0.000 -0.069) 0.069 8.657 ( 0.000 0.000 0.783) 0.783 8.718 ( 0.000 0.000 0.533) 0.533 9.025 ( 0.000 0.000 0.001) 0.001 9.050 ( -0.000 -0.000 -0.453) 0.453 9.651 ( -0.000 -0.000 -0.049) 0.049 9.700 ( 0.000 0.000 0.700) 0.700 11.735 ( -0.000 -0.000 -0.415) 0.415 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( -7.299 1.984 7.839) 10.893 0.404 ( -4.365 2.727 11.898) 12.964 0.640 ( -19.198 14.602 6.760) 25.050 1.588 ( -0.536 -0.279 1.138) 1.288 1.663 ( -4.320 -1.017 -5.446) 7.025 1.853 ( 5.797 -4.785 2.749) 8.004 1.925 ( -0.324 0.925 -1.229) 1.572 1.971 ( 0.228 4.192 -0.625) 4.245 2.195 ( 1.106 0.503 -1.853) 2.215 2.433 ( 1.661 -1.188 1.567) 2.574 2.974 ( 4.292 -5.241 1.105) 6.863 3.046 ( 5.151 0.203 -0.238) 5.161 3.408 ( 2.243 -4.092 0.135) 4.669 3.474 ( 3.826 0.463 0.171) 3.858 5.024 ( 7.151 -3.173 0.241) 7.827 7.807 ( 12.138 -5.144 1.810) 13.307 7.928 ( 2.577 -0.471 0.300) 2.637 7.957 ( 1.266 -1.286 1.146) 2.138 8.086 ( -2.231 2.301 0.024) 3.205 8.405 ( -13.090 4.368 3.876) 14.334 8.664 ( 2.312 2.197 0.652) 3.255 8.782 ( -2.331 -0.619 -2.624) 3.564 9.024 ( 0.767 1.922 0.129) 2.073 9.081 ( -4.554 -0.258 -0.551) 4.594 9.686 ( -1.047 1.036 -0.813) 1.682 9.781 ( -8.575 5.051 1.474) 10.061 11.703 ( 2.535 -1.503 -0.734) 3.037 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -7.503 2.581 6.339) 10.155 0.589 ( -6.733 3.860 7.710) 10.940 1.130 ( -20.191 14.338 1.752) 24.825 1.607 ( -1.291 -0.084 1.126) 1.715 1.663 ( -2.607 -1.385 -5.228) 6.004 1.766 ( 4.828 -1.297 4.698) 6.860 1.904 ( 1.776 1.177 -3.241) 3.879 2.038 ( -3.513 5.044 -0.689) 6.186 2.169 ( -0.331 -2.246 -0.963) 2.466 2.412 ( 0.754 -1.507 0.877) 1.899 2.781 ( 11.801 -9.093 0.201) 14.899 2.970 ( 4.966 -0.104 0.523) 4.994 3.277 ( 7.230 -7.534 0.206) 10.443 3.416 ( 4.806 0.444 0.159) 4.829 4.834 ( 11.678 -5.204 0.230) 12.787 7.641 ( 6.419 -2.132 0.917) 6.825 7.870 ( 4.008 -1.328 0.526) 4.255 7.939 ( 0.455 -1.244 0.806) 1.550 8.149 ( -2.332 2.804 0.295) 3.659 8.647 ( 1.954 1.399 0.497) 2.454 8.684 ( -9.661 3.835 0.876) 10.431 8.789 ( -4.991 0.669 0.049) 5.036 9.040 ( -0.016 1.833 0.484) 1.896 9.166 ( -6.000 0.835 -0.396) 6.071 9.697 ( -0.113 0.564 -0.539) 0.788 10.037 ( -13.744 8.176 1.064) 16.028 11.618 ( 4.880 -2.779 -1.132) 5.729 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -9.044 3.262 3.981) 10.406 0.811 ( -10.821 4.975 3.197) 12.331 1.470 ( -7.234 5.756 -0.859) 9.284 1.640 ( -0.150 -0.786 -0.149) 0.814 1.654 ( -1.949 0.887 -1.650) 2.704 1.773 ( 1.172 2.415 3.077) 4.083 1.895 ( -7.171 3.216 -1.853) 8.075 2.122 ( 0.269 3.988 -1.676) 4.335 2.189 ( -7.379 -0.145 0.127) 7.382 2.398 ( 0.450 -2.249 1.258) 2.616 2.467 ( 15.380 -9.787 -0.198) 18.231 2.894 ( 4.420 -0.908 0.442) 4.534 3.065 ( 9.931 -8.797 0.196) 13.268 3.314 ( 8.210 -1.540 0.095) 8.354 4.595 ( 11.734 -5.328 0.176) 12.888 7.571 ( 1.754 -0.620 0.175) 1.869 7.792 ( 4.792 -1.531 0.715) 5.081 7.931 ( -0.047 -0.887 0.517) 1.028 8.209 ( -1.839 2.268 0.294) 2.934 8.632 ( 1.492 0.796 0.335) 1.724 8.716 ( 0.101 -0.669 -0.982) 1.192 9.018 ( -9.615 3.765 1.250) 10.401 9.073 ( -4.240 2.841 0.627) 5.143 9.265 ( -5.163 1.431 -0.181) 5.361 9.686 ( 1.359 -0.488 -0.350) 1.485 10.351 ( -14.646 8.631 0.907) 17.024 11.484 ( 6.887 -3.800 -1.330) 7.977 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -6.372 2.341 2.495) 7.232 1.072 ( -14.687 5.357 -0.447) 15.640 1.519 ( -0.679 0.052 -2.190) 2.293 1.638 ( 0.220 -0.719 0.810) 1.105 1.663 ( 1.196 -0.028 3.108) 3.330 1.741 ( 2.934 1.628 -0.878) 3.468 2.074 ( 7.099 -5.171 -0.316) 8.788 2.090 ( 5.235 -3.480 -2.158) 6.646 2.195 ( -6.922 5.091 -0.817) 8.632 2.355 ( -10.058 4.183 -0.003) 10.893 2.462 ( -7.038 2.385 2.092) 7.720 2.819 ( 9.568 -7.930 0.294) 12.430 2.832 ( 3.578 -1.947 -0.070) 4.074 3.121 ( 13.063 -4.161 -0.032) 13.710 4.403 ( 7.004 -3.375 0.093) 7.776 7.568 ( -1.686 0.023 -0.366) 1.725 7.708 ( 4.734 -1.424 0.735) 4.998 7.930 ( -0.187 -0.643 0.252) 0.716 8.250 ( -0.903 1.335 0.199) 1.624 8.621 ( 0.603 0.037 0.118) 0.616 8.704 ( 0.065 -0.047 -0.551) 0.557 9.063 ( -0.606 -0.558 0.470) 0.949 9.287 ( -9.882 5.291 0.491) 11.220 9.342 ( -3.012 1.237 -0.027) 3.256 9.634 ( 3.579 -1.870 -0.232) 4.044 10.644 ( -11.816 6.797 0.758) 13.652 11.322 ( 7.226 -3.950 -1.075) 8.305 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 1.275 -1.850 0.350) 2.273 1.285 ( -3.587 -0.167 -0.705) 3.660 1.498 ( 1.160 -1.315 -1.488) 2.300 1.621 ( 1.845 -0.866 0.546) 2.110 1.642 ( 1.383 -1.213 0.672) 1.958 1.751 ( -1.814 0.917 2.464) 3.194 1.866 ( -0.729 1.383 -0.007) 1.564 2.082 ( -0.431 0.380 -2.580) 2.643 2.287 ( -1.080 0.614 0.468) 1.328 2.555 ( 1.753 -3.949 -0.166) 4.324 2.573 ( -3.880 1.952 0.283) 4.352 2.645 ( 4.080 0.165 0.208) 4.089 2.801 ( 0.023 -0.748 -0.523) 0.913 2.925 ( -1.045 0.288 0.494) 1.191 4.330 ( -0.086 -0.309 0.001) 0.321 7.612 ( -3.624 0.378 -0.523) 3.681 7.633 ( 3.490 -1.296 0.453) 3.750 7.928 ( -0.061 -0.501 0.022) 0.505 8.263 ( 0.264 0.252 0.106) 0.380 8.615 ( -0.259 -0.742 -0.110) 0.794 8.705 ( -0.112 0.696 -0.073) 0.709 9.064 ( -0.564 -1.597 0.146) 1.700 9.369 ( 0.405 0.704 0.201) 0.837 9.420 ( 0.617 -0.167 -0.155) 0.658 9.569 ( -0.170 0.393 -0.107) 0.441 10.786 ( 0.899 -0.613 -0.063) 1.089 11.232 ( -1.211 0.717 0.081) 1.410 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 7.409 -5.439 -0.808) 9.226 1.071 ( 16.326 -10.008 -0.269) 19.151 1.504 ( -2.884 0.301 -1.682) 3.352 1.620 ( -0.509 0.274 -0.371) 0.687 1.660 ( -0.774 1.874 1.425) 2.478 1.796 ( -1.196 -2.026 2.308) 3.296 2.053 ( -2.668 2.414 -2.042) 4.137 2.109 ( -12.558 7.556 -0.254) 14.658 2.220 ( 11.077 -4.986 0.772) 12.171 2.348 ( 6.856 -9.178 -0.143) 11.457 2.440 ( 7.594 0.389 0.276) 7.609 2.812 ( -7.138 4.737 -0.080) 8.567 2.821 ( -6.651 3.629 -0.552) 7.597 3.127 ( -12.532 3.835 0.245) 13.108 4.400 ( -7.171 2.824 -0.056) 7.707 7.577 ( 2.032 -0.797 0.135) 2.187 7.686 ( -5.200 0.615 -0.473) 5.257 7.923 ( 0.007 -0.427 -0.123) 0.444 8.248 ( 1.430 -0.830 0.042) 1.654 8.615 ( -1.086 -1.328 -0.193) 1.726 8.718 ( -0.319 1.268 0.244) 1.330 9.055 ( -0.618 -2.403 0.004) 2.481 9.267 ( 11.155 -5.430 -0.554) 12.418 9.345 ( 3.513 0.056 0.116) 3.515 9.639 ( -3.550 2.283 0.042) 4.220 10.622 ( 12.016 -7.103 -0.469) 13.966 11.355 ( -7.819 4.393 0.705) 8.997 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 9.815 -6.662 -0.425) 11.870 0.716 ( 15.055 -10.134 -1.734) 18.231 1.529 ( 4.056 -3.274 3.039) 6.034 1.595 ( 9.659 -5.440 -3.344) 11.579 1.625 ( -0.370 -0.589 -1.190) 1.379 1.750 ( 0.214 0.209 0.792) 0.847 2.012 ( 2.146 0.056 4.462) 4.952 2.085 ( 0.538 1.166 -4.025) 4.225 2.174 ( 5.900 -6.368 0.120) 8.682 2.415 ( -0.415 1.023 0.989) 1.482 2.462 ( -15.782 10.222 -0.354) 18.807 2.877 ( -5.044 -0.143 -0.331) 5.057 3.061 ( -9.980 8.625 -0.056) 13.191 3.314 ( -8.012 1.327 0.012) 8.121 4.591 ( -11.858 4.936 -0.054) 12.844 7.564 ( -1.028 0.106 -0.132) 1.042 7.774 ( -5.187 1.113 -0.234) 5.310 7.920 ( -0.294 -0.394 -0.141) 0.511 8.206 ( 2.345 -1.715 0.009) 2.905 8.622 ( -1.811 -1.692 -0.149) 2.483 8.743 ( -0.740 1.772 0.419) 1.965 8.992 ( 14.754 -6.553 -0.256) 16.145 9.045 ( -0.461 -3.109 -0.564) 3.193 9.272 ( 5.609 -0.363 0.111) 5.622 9.693 ( -1.499 0.827 0.077) 1.713 10.330 ( 14.702 -8.755 -0.264) 17.113 11.517 ( -6.814 3.903 0.440) 7.865 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 11.555 -9.348 -0.000) 14.863 0.430 ( 10.106 -6.448 -0.000) 11.988 1.101 ( 24.260 -15.807 -0.000) 28.955 1.578 ( 0.510 1.213 -0.000) 1.316 1.659 ( -4.734 -0.216 0.000) 4.738 1.781 ( 1.040 5.042 -0.000) 5.149 2.027 ( 3.673 0.378 0.000) 3.693 2.027 ( 4.200 0.297 0.000) 4.210 2.109 ( -6.125 -5.982 0.000) 8.562 2.428 ( -0.331 0.357 0.000) 0.487 2.773 ( -11.180 9.223 0.000) 14.494 2.959 ( -5.920 -0.646 0.000) 5.955 3.274 ( -7.258 7.469 0.000) 10.415 3.414 ( -4.773 -0.534 0.000) 4.802 4.830 ( -11.732 4.997 0.000) 12.751 7.619 ( -5.262 1.689 0.000) 5.527 7.859 ( -3.943 1.591 0.000) 4.252 7.926 ( -1.060 -0.437 0.000) 1.147 8.147 ( 2.748 -2.116 -0.000) 3.469 8.637 ( -2.289 -1.891 0.000) 2.969 8.666 ( 17.400 -7.180 -0.000) 18.823 8.783 ( -1.563 2.392 0.000) 2.857 9.033 ( -1.356 -3.203 0.000) 3.478 9.174 ( 6.261 -0.042 -0.000) 6.261 9.707 ( -0.101 -0.301 0.000) 0.317 10.018 ( 14.102 -8.341 -0.000) 16.384 11.639 ( -4.646 2.753 0.000) 5.401 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( 0.000 0.000 8.612) 8.612 0.342 ( 0.000 0.000 9.637) 9.637 0.583 ( 0.000 0.000 16.267) 16.267 1.583 ( -0.000 -0.000 -4.232) 4.232 1.595 ( 0.000 0.000 1.610) 1.610 1.908 ( -0.000 -0.000 -2.542) 2.542 1.913 ( -0.000 -0.000 -0.170) 0.170 2.003 ( 0.000 0.000 2.022) 2.022 2.146 ( -0.000 -0.000 -6.029) 6.029 2.486 ( 0.000 0.000 1.969) 1.969 3.035 ( 0.000 0.000 1.278) 1.278 3.090 ( -0.000 -0.000 -0.625) 0.625 3.438 ( 0.000 0.000 0.134) 0.134 3.511 ( 0.000 0.000 0.245) 0.245 5.099 ( 0.000 0.000 0.306) 0.306 7.944 ( -0.000 -0.000 -0.249) 0.249 7.997 ( 0.000 0.000 2.669) 2.669 8.025 ( -0.000 -0.000 -0.209) 0.209 8.050 ( -0.000 -0.000 -0.535) 0.535 8.260 ( -0.000 -0.000 -0.079) 0.079 8.673 ( 0.000 0.000 1.112) 1.112 8.729 ( 0.000 0.000 0.849) 0.849 9.025 ( 0.000 0.000 0.001) 0.001 9.040 ( -0.000 -0.000 -0.800) 0.800 9.651 ( 0.000 0.000 0.012) 0.012 9.714 ( 0.000 0.000 1.102) 1.102 11.726 ( -0.000 -0.000 -0.675) 0.675 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -6.546 0.188 7.354) 9.847 0.568 ( -7.888 5.127 8.926) 12.968 0.763 ( -9.625 8.340 8.313) 15.209 1.573 ( -2.592 -0.802 -5.047) 5.730 1.615 ( -0.572 0.579 1.651) 1.841 1.873 ( 1.848 -1.353 -0.959) 2.483 1.911 ( 2.532 1.071 0.062) 2.750 1.969 ( 1.475 2.446 0.322) 2.874 2.138 ( -2.497 -0.524 -4.435) 5.116 2.467 ( 1.869 -2.328 2.279) 3.756 2.989 ( 5.166 -5.631 0.655) 7.670 3.043 ( 4.064 0.299 -0.103) 4.076 3.411 ( 2.173 -4.063 0.174) 4.611 3.477 ( 3.843 0.380 0.219) 3.868 5.029 ( 7.138 -3.267 0.297) 7.855 7.826 ( 11.829 -4.473 0.750) 12.669 7.930 ( 2.935 0.663 -0.000) 3.009 7.979 ( 0.347 -4.112 1.496) 4.389 8.090 ( -1.798 3.478 0.567) 3.957 8.450 ( -13.669 4.559 1.951) 14.541 8.675 ( 2.053 1.549 0.661) 2.656 8.753 ( -1.559 -0.529 -1.197) 2.036 9.029 ( -0.104 0.819 0.332) 0.890 9.072 ( -4.380 0.462 -0.624) 4.449 9.675 ( -1.032 1.080 -0.649) 1.628 9.805 ( -8.200 4.959 1.554) 9.709 11.691 ( 2.783 -1.588 -0.823) 3.308 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -7.147 1.547 5.781) 9.322 0.708 ( -3.077 0.408 7.198) 7.839 1.156 ( -18.326 12.842 1.293) 22.415 1.562 ( -2.548 -0.947 -5.484) 6.121 1.645 ( -0.322 1.043 2.010) 2.287 1.838 ( 1.628 -0.037 2.970) 3.387 1.857 ( 4.101 0.950 -1.487) 4.464 2.026 ( -3.301 4.510 -0.805) 5.647 2.131 ( -2.328 -1.805 -3.253) 4.389 2.438 ( 0.862 -2.693 2.113) 3.530 2.782 ( 12.113 -9.036 -0.052) 15.112 2.977 ( 4.374 -0.870 0.300) 4.470 3.281 ( 7.207 -7.578 0.213) 10.460 3.419 ( 4.789 0.361 0.185) 4.806 4.838 ( 11.633 -5.385 0.229) 12.821 7.653 ( 6.978 -2.050 0.580) 7.296 7.877 ( 3.880 -0.891 0.364) 3.998 7.952 ( -0.098 -3.003 0.851) 3.123 8.157 ( -1.891 3.261 0.629) 3.822 8.655 ( 1.902 0.905 0.397) 2.143 8.697 ( -4.698 1.690 0.757) 5.050 8.786 ( -9.697 3.042 -0.338) 10.169 9.048 ( -1.071 0.207 0.508) 1.203 9.161 ( -5.659 1.782 -0.243) 5.938 9.688 ( -0.211 0.750 -0.540) 0.948 10.054 ( -13.441 8.064 1.091) 15.712 11.600 ( 5.144 -2.830 -1.050) 5.965 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -7.916 1.391 4.119) 9.032 0.852 ( -8.889 2.482 1.855) 9.414 1.461 ( -4.983 3.562 -0.362) 6.136 1.594 ( -7.323 2.915 -3.271) 8.533 1.673 ( 0.318 1.584 1.895) 2.490 1.784 ( 4.114 0.383 -1.564) 4.417 1.908 ( -6.768 3.870 3.238) 8.442 2.085 ( -0.447 3.151 -2.922) 4.320 2.182 ( -8.096 0.980 -0.632) 8.180 2.428 ( 1.022 -3.264 2.072) 3.999 2.463 ( 14.550 -9.621 -0.263) 17.446 2.898 ( 4.157 -1.590 0.041) 4.451 3.068 ( 9.924 -8.858 0.171) 13.304 3.317 ( 8.237 -1.677 0.146) 8.407 4.598 ( 11.660 -5.563 0.142) 12.920 7.572 ( 2.204 -0.727 0.042) 2.321 7.802 ( 4.507 -1.736 0.548) 4.861 7.939 ( -0.346 -1.852 0.432) 1.933 8.215 ( -1.490 2.502 0.412) 2.941 8.636 ( 1.279 0.225 0.195) 1.313 8.703 ( 0.264 -0.268 -0.682) 0.778 9.037 ( -9.445 3.222 1.218) 10.054 9.077 ( -4.986 1.712 -0.046) 5.272 9.264 ( -4.757 2.300 0.009) 5.284 9.681 ( 1.315 -0.269 -0.336) 1.384 10.364 ( -14.590 8.546 0.754) 16.925 11.465 ( 6.970 -3.750 -1.040) 7.983 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -5.221 0.953 2.225) 5.755 1.061 ( -14.305 3.432 -0.843) 14.735 1.484 ( -1.293 -0.285 -1.858) 2.281 1.648 ( 0.920 -0.968 0.413) 1.398 1.707 ( 1.024 1.864 1.391) 2.542 1.743 ( 0.423 1.780 1.616) 2.441 2.043 ( -1.034 -0.020 -2.678) 2.870 2.078 ( 15.541 -10.233 0.006) 18.608 2.181 ( -7.714 6.610 -0.761) 10.187 2.353 ( -11.185 2.874 -0.144) 11.549 2.496 ( -6.308 2.496 1.820) 7.024 2.823 ( 9.687 -8.077 0.187) 12.614 2.829 ( 3.301 -2.382 -0.314) 4.083 3.121 ( 13.077 -4.281 0.092) 13.760 4.404 ( 6.931 -3.618 0.058) 7.819 7.563 ( -1.485 -0.171 -0.260) 1.517 7.717 ( 4.500 -1.859 0.443) 4.889 7.933 ( -0.309 -1.182 0.164) 1.233 8.253 ( -0.653 1.515 0.200) 1.662 8.622 ( 0.403 -0.576 0.003) 0.703 8.697 ( 0.035 0.494 -0.345) 0.604 9.070 ( -1.091 -1.909 0.352) 2.227 9.292 ( -9.856 5.179 0.204) 11.136 9.343 ( -2.497 1.976 0.075) 3.185 9.631 ( 3.638 -1.678 -0.198) 4.011 10.654 ( -11.686 6.634 0.466) 13.446 11.308 ( 6.943 -3.735 -0.646) 7.911 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 2.146 -3.000 0.223) 3.695 1.275 ( -5.562 -0.295 -0.425) 5.586 1.479 ( 1.415 -1.810 -0.693) 2.400 1.632 ( 1.753 -1.234 0.802) 2.289 1.643 ( 2.773 -2.238 -0.440) 3.590 1.796 ( -1.593 1.126 2.322) 3.033 1.864 ( -1.769 2.766 -0.266) 3.294 2.041 ( -0.567 0.023 -1.916) 1.999 2.293 ( -1.787 1.257 0.221) 2.196 2.553 ( 1.590 -4.841 -0.073) 5.096 2.577 ( -4.891 1.597 0.142) 5.147 2.648 ( 6.511 0.227 0.138) 6.517 2.794 ( -0.149 -1.062 -0.303) 1.114 2.931 ( -1.566 0.357 0.277) 1.630 4.330 ( -0.139 -0.500 0.001) 0.519 7.605 ( -3.848 0.216 -0.218) 3.860 7.638 ( 3.627 -1.710 0.174) 4.014 7.928 ( -0.094 -0.795 0.014) 0.801 8.265 ( 0.427 0.405 0.066) 0.592 8.613 ( -0.417 -1.173 -0.068) 1.247 8.704 ( -0.184 1.070 -0.045) 1.087 9.066 ( -0.926 -2.544 0.091) 2.709 9.372 ( 0.618 1.179 0.133) 1.338 9.417 ( 1.063 -0.338 -0.103) 1.120 9.568 ( -0.291 0.649 -0.067) 0.715 10.785 ( 1.446 -0.986 -0.039) 1.750 11.233 ( -1.952 1.154 0.050) 2.268 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 7.484 -5.938 -0.000) 9.554 1.069 ( 16.604 -10.876 -0.000) 19.849 1.490 ( -3.317 0.546 0.000) 3.361 1.617 ( -0.437 0.134 0.000) 0.457 1.672 ( -1.284 2.096 0.000) 2.458 1.819 ( 0.137 -2.267 -0.000) 2.271 2.031 ( -1.431 1.356 0.000) 1.972 2.107 ( -14.799 8.785 0.000) 17.210 2.226 ( 11.811 -5.070 -0.000) 12.854 2.347 ( 6.545 -9.658 -0.000) 11.667 2.443 ( 7.250 0.847 -0.000) 7.300 2.812 ( -3.058 -0.392 0.000) 3.083 2.816 ( -10.858 8.445 0.000) 13.755 3.129 ( -12.390 3.769 0.000) 12.951 4.400 ( -7.200 2.729 0.000) 7.699 7.578 ( 2.073 -0.988 -0.000) 2.296 7.682 ( -5.270 0.504 0.000) 5.294 7.922 ( -0.006 -0.580 -0.000) 0.580 8.248 ( 1.515 -0.732 -0.000) 1.683 8.613 ( -1.170 -1.532 0.000) 1.928 8.720 ( -0.397 1.451 0.000) 1.504 9.055 ( -0.901 -2.864 0.000) 3.003 9.262 ( 11.573 -5.462 -0.000) 12.797 9.346 ( 3.532 0.233 -0.000) 3.540 9.639 ( -3.556 2.353 0.000) 4.264 10.618 ( 12.039 -7.148 -0.000) 14.001 11.360 ( -7.918 4.464 0.000) 9.090 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 0.000 0.000 6.887) 6.887 0.474 ( 0.000 0.000 7.208) 7.208 0.804 ( 0.000 0.000 11.815) 11.815 1.516 ( -0.000 -0.000 -4.191) 4.191 1.626 ( 0.000 0.000 2.289) 2.289 1.862 ( -0.000 -0.000 -3.317) 3.317 1.911 ( -0.000 -0.000 -0.060) 0.060 2.032 ( 0.000 0.000 1.554) 1.554 2.057 ( -0.000 -0.000 -5.139) 5.139 2.512 ( 0.000 0.000 1.373) 1.373 3.053 ( 0.000 0.000 0.939) 0.939 3.080 ( -0.000 -0.000 -0.628) 0.628 3.440 ( 0.000 0.000 0.132) 0.132 3.515 ( 0.000 0.000 0.235) 0.235 5.104 ( 0.000 0.000 0.304) 0.304 7.940 ( -0.000 -0.000 -0.248) 0.248 8.022 ( -0.000 -0.000 -0.193) 0.193 8.040 ( 0.000 0.000 2.702) 2.702 8.042 ( -0.000 -0.000 -0.434) 0.434 8.259 ( -0.000 -0.000 -0.007) 0.007 8.689 ( 0.000 0.000 0.944) 0.944 8.742 ( 0.000 0.000 0.833) 0.833 9.025 ( 0.000 0.000 0.000) 0.000 9.027 ( -0.000 -0.000 -0.896) 0.896 9.651 ( 0.000 0.000 0.078) 0.078 9.732 ( 0.000 0.000 1.107) 1.107 11.715 ( -0.000 -0.000 -0.679) 0.679 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -6.256 -0.609 5.240) 8.183 0.686 ( -11.755 8.849 6.152) 15.948 0.875 ( -1.557 1.835 5.491) 5.995 1.500 ( -1.697 -0.408 -3.926) 4.297 1.649 ( -0.046 0.980 2.516) 2.700 1.835 ( 0.748 0.881 -3.151) 3.356 1.919 ( 0.735 1.182 0.500) 1.479 1.976 ( 1.936 0.563 0.299) 2.038 2.078 ( -2.404 -0.578 -2.898) 3.809 2.497 ( 1.231 -2.460 1.478) 3.123 2.994 ( 6.086 -5.439 0.074) 8.163 3.043 ( 2.934 -0.253 0.078) 2.946 3.413 ( 2.102 -4.046 0.145) 4.561 3.481 ( 3.857 0.312 0.176) 3.874 5.033 ( 7.126 -3.357 0.239) 7.881 7.833 ( 11.491 -3.767 0.281) 12.096 7.929 ( 2.955 1.072 -0.073) 3.144 7.998 ( -0.389 -5.670 0.841) 5.745 8.104 ( -1.232 4.019 1.068) 4.337 8.470 ( -15.004 5.107 0.716) 15.865 8.684 ( 1.924 0.839 0.427) 2.142 8.742 ( 0.222 -0.771 -0.303) 0.858 9.032 ( -1.429 -0.582 0.072) 1.544 9.064 ( -3.970 1.639 -0.312) 4.306 9.667 ( -0.752 0.987 -0.373) 1.295 9.827 ( -8.068 5.016 1.161) 9.571 11.679 ( 2.965 -1.632 -0.649) 3.446 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -7.201 1.383 3.476) 8.115 0.803 ( 0.234 -2.307 4.649) 5.196 1.168 ( -18.741 12.102 0.233) 22.310 1.488 ( -1.247 -0.784 -3.598) 3.888 1.682 ( 0.450 2.021 2.451) 3.209 1.802 ( 1.667 0.793 -3.034) 3.551 1.912 ( 2.041 1.086 3.925) 4.555 2.011 ( -2.417 3.089 -1.309) 4.135 2.084 ( -3.386 -1.120 -2.482) 4.345 2.467 ( 0.536 -2.947 1.408) 3.310 2.780 ( 12.238 -9.059 -0.115) 15.227 2.980 ( 4.030 -1.534 0.064) 4.313 3.284 ( 7.189 -7.606 0.135) 10.467 3.421 ( 4.742 0.294 0.127) 4.752 4.841 ( 11.598 -5.528 0.141) 12.849 7.659 ( 7.327 -1.850 0.248) 7.560 7.881 ( 3.688 -0.556 0.168) 3.734 7.963 ( -0.547 -4.299 0.501) 4.363 8.167 ( -1.498 3.424 0.576) 3.781 8.659 ( 1.882 0.503 0.200) 1.959 8.707 ( -0.693 -0.025 0.454) 0.829 8.780 ( -13.606 5.036 -0.361) 14.513 9.054 ( -1.986 -1.245 0.228) 2.355 9.159 ( -5.303 2.674 -0.019) 5.939 9.681 ( -0.216 0.877 -0.331) 0.962 10.069 ( -13.222 7.993 0.681) 15.465 11.587 ( 5.359 -2.869 -0.624) 6.111 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -7.289 0.635 2.714) 7.804 0.864 ( -7.599 0.794 -0.373) 7.649 1.458 ( -1.373 0.110 -0.067) 1.379 1.555 ( -12.961 7.260 -1.407) 14.922 1.704 ( 1.312 2.218 1.987) 3.254 1.750 ( 2.319 0.214 -2.205) 3.207 1.969 ( -3.358 3.407 4.043) 6.263 2.033 ( -1.323 1.962 -3.646) 4.347 2.175 ( -8.371 1.856 -0.270) 8.579 2.452 ( 9.712 -8.121 0.763) 12.682 2.460 ( 5.590 -5.107 0.037) 7.571 2.897 ( 4.038 -2.058 -0.063) 4.532 3.070 ( 9.926 -8.875 0.068) 13.315 3.318 ( 8.214 -1.765 0.072) 8.401 4.599 ( 11.615 -5.706 0.054) 12.941 7.572 ( 2.484 -0.736 -0.004) 2.590 7.808 ( 4.320 -1.838 0.202) 4.699 7.944 ( -0.555 -2.483 0.165) 2.550 8.220 ( -1.263 2.588 0.200) 2.887 8.638 ( 1.150 -0.148 0.054) 1.161 8.695 ( 0.442 -0.054 -0.238) 0.505 9.054 ( -11.343 4.476 0.835) 12.223 9.072 ( -3.612 -0.519 -0.471) 3.679 9.265 ( -4.474 2.868 0.053) 5.315 9.677 ( 1.313 -0.127 -0.142) 1.327 10.372 ( -14.549 8.490 0.292) 16.848 11.454 ( 7.030 -3.721 -0.390) 7.963 ======================= Grid point 38 (27/171) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -4.167 0.389 0.000) 4.185 1.052 ( -14.715 2.753 0.000) 14.971 1.469 ( -1.495 -0.369 0.000) 1.540 1.651 ( 1.192 -1.148 -0.000) 1.655 1.713 ( 1.925 2.347 -0.000) 3.035 1.765 ( -2.282 2.617 0.000) 3.472 2.018 ( 0.937 -1.198 -0.000) 1.521 2.078 ( 15.450 -10.500 -0.000) 18.681 2.175 ( -8.448 7.444 0.000) 11.259 2.352 ( -11.493 2.599 0.000) 11.783 2.511 ( -6.078 2.403 0.000) 6.536 2.825 ( 10.466 -8.855 -0.000) 13.709 2.825 ( 2.493 -1.825 -0.000) 3.090 3.122 ( 13.041 -4.325 -0.000) 13.739 4.404 ( 6.903 -3.710 -0.000) 7.837 7.561 ( -1.403 -0.225 0.000) 1.421 7.721 ( 4.407 -2.036 -0.000) 4.854 7.935 ( -0.359 -1.391 0.000) 1.437 8.255 ( -0.556 1.574 0.000) 1.669 8.622 ( 0.332 -0.806 -0.000) 0.872 8.694 ( 0.030 0.683 0.000) 0.683 9.073 ( -1.277 -2.415 0.000) 2.731 9.294 ( -9.905 5.120 0.000) 11.150 9.343 ( -2.271 2.283 0.000) 3.220 9.629 ( 3.671 -1.603 -0.000) 4.006 10.658 ( -11.630 6.567 0.000) 13.356 11.303 ( 6.832 -3.649 -0.000) 7.745 ======================= Grid point 46 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 0.000 0.000 3.989) 3.989 0.562 ( 0.000 0.000 3.891) 3.891 0.945 ( 0.000 0.000 6.101) 6.101 1.460 ( -0.000 -0.000 -2.694) 2.694 1.665 ( 0.000 0.000 2.540) 2.540 1.809 ( -0.000 -0.000 -3.228) 3.228 1.910 ( -0.000 -0.000 -0.017) 0.017 1.994 ( -0.000 -0.000 -2.780) 2.780 2.051 ( 0.000 0.000 0.823) 0.823 2.528 ( 0.000 0.000 0.644) 0.644 3.064 ( 0.000 0.000 0.444) 0.444 3.072 ( -0.000 -0.000 -0.389) 0.389 3.442 ( 0.000 0.000 0.081) 0.081 3.518 ( 0.000 0.000 0.141) 0.141 5.108 ( 0.000 0.000 0.187) 0.187 7.937 ( -0.000 -0.000 -0.153) 0.153 8.019 ( -0.000 -0.000 -0.112) 0.112 8.037 ( -0.000 -0.000 -0.225) 0.225 8.075 ( 0.000 0.000 1.663) 1.663 8.259 ( 0.000 0.000 0.065) 0.065 8.701 ( 0.000 0.000 0.508) 0.508 8.753 ( 0.000 0.000 0.507) 0.507 9.014 ( -0.000 -0.000 -0.612) 0.612 9.025 ( -0.000 -0.000 -0.000) 0.000 9.653 ( 0.000 0.000 0.073) 0.073 9.746 ( 0.000 0.000 0.694) 0.694 11.707 ( -0.000 -0.000 -0.422) 0.422 ======================= Grid point 47 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -6.055 -0.797 1.932) 6.406 0.755 ( -14.824 11.451 2.429) 18.889 0.930 ( 3.657 -2.386 1.581) 4.644 1.457 ( -1.321 -0.384 -1.462) 2.007 1.688 ( 0.378 1.685 1.951) 2.605 1.788 ( 0.499 0.868 -2.267) 2.479 1.925 ( -0.681 1.666 0.186) 1.810 1.976 ( -0.134 -0.078 -0.159) 0.222 2.051 ( -0.071 -0.557 -0.691) 0.890 2.513 ( 0.830 -2.303 0.486) 2.496 2.994 ( 6.459 -5.080 -0.046) 8.217 3.044 ( 2.442 -0.872 0.047) 2.594 3.415 ( 2.055 -4.038 0.056) 4.532 3.483 ( 3.862 0.275 0.066) 3.873 5.036 ( 7.119 -3.411 0.091) 7.895 7.836 ( 11.348 -3.392 0.071) 11.845 7.928 ( 2.920 1.198 -0.035) 3.156 8.006 ( -0.797 -5.903 0.219) 5.961 8.118 ( -0.916 3.734 0.553) 3.884 8.476 ( -15.689 5.390 0.166) 16.590 8.688 ( 1.913 0.382 0.141) 1.956 8.740 ( 1.247 -0.850 -0.031) 1.509 9.031 ( -2.503 -1.490 -0.078) 2.914 9.062 ( -3.518 2.449 -0.025) 4.286 9.663 ( -0.535 0.911 -0.117) 1.063 9.840 ( -8.020 5.070 0.430) 9.498 11.672 ( 3.062 -1.649 -0.247) 3.487 ======================= Grid point 48 (30/171) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -7.249 1.421 0.000) 7.387 0.842 ( 1.925 -3.559 -0.000) 4.046 1.168 ( -19.816 12.206 0.000) 23.273 1.458 ( -0.440 -0.881 0.000) 0.985 1.708 ( 1.069 3.033 -0.000) 3.215 1.770 ( 1.310 0.053 -0.000) 1.311 1.954 ( 0.985 3.674 -0.000) 3.803 1.990 ( -1.416 -0.274 0.000) 1.442 2.063 ( -4.046 -0.218 0.000) 4.052 2.479 ( 0.368 -2.895 -0.000) 2.918 2.779 ( 12.264 -9.088 -0.000) 15.264 2.980 ( 3.924 -1.800 -0.000) 4.317 3.285 ( 7.182 -7.614 -0.000) 10.467 3.423 ( 4.715 0.268 -0.000) 4.723 4.842 ( 11.585 -5.581 -0.000) 12.860 7.661 ( 7.449 -1.756 -0.000) 7.653 7.883 ( 3.603 -0.446 -0.000) 3.630 7.967 ( -0.719 -4.728 0.000) 4.783 8.172 ( -1.345 3.420 0.000) 3.675 8.661 ( 1.873 0.349 -0.000) 1.905 8.711 ( 1.109 -0.790 -0.000) 1.362 8.777 ( -15.373 5.917 0.000) 16.473 9.055 ( -2.348 -1.789 0.000) 2.952 9.159 ( -5.159 3.009 0.000) 5.973 9.679 ( -0.200 0.923 0.000) 0.944 10.074 ( -13.144 7.970 0.000) 15.372 11.582 ( 5.440 -2.881 -0.000) 6.156 ======================= Grid point 59 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 0.000 0.000 0.000) 0.000 0.593 ( 0.000 0.000 0.000) 0.000 0.993 ( 0.000 0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 1.691 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 3.067 ( -0.000 -0.000 -0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 7.935 ( 0.000 0.000 0.000) 0.000 8.018 ( 0.000 0.000 0.000) 0.000 8.035 ( 0.000 0.000 0.000) 0.000 8.089 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.757 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.653 ( 0.000 0.000 0.000) 0.000 9.752 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 108 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.217 ( -0.000 11.642 0.000) 11.642 0.225 ( -0.000 13.102 0.000) 13.102 0.593 ( -0.000 31.820 0.000) 31.820 1.562 ( 0.000 -0.763 -0.000) 0.763 1.657 ( 0.000 -0.807 -0.000) 0.807 1.787 ( 0.000 -1.114 -0.000) 1.114 1.940 ( -0.000 2.110 0.000) 2.110 1.953 ( 0.000 -0.176 -0.000) 0.176 2.330 ( 0.000 -2.292 -0.000) 2.292 2.434 ( 0.000 -0.164 -0.000) 0.164 2.934 ( 0.000 -7.270 -0.000) 7.270 3.079 ( 0.000 -2.370 -0.000) 2.370 3.383 ( 0.000 -5.596 -0.000) 5.596 3.494 ( 0.000 -1.696 -0.000) 1.696 5.035 ( 0.000 -6.207 -0.000) 6.207 7.788 ( 0.000 -7.744 -0.000) 7.744 7.929 ( 0.000 -1.344 -0.000) 1.344 7.972 ( 0.000 -2.627 -0.000) 2.627 8.067 ( -0.000 3.282 0.000) 3.282 8.291 ( -0.000 15.615 0.000) 15.615 8.700 ( 0.000 -1.181 -0.000) 1.181 8.833 ( -0.000 0.293 0.000) 0.293 9.041 ( 0.000 -1.094 -0.000) 1.094 9.066 ( -0.000 4.164 0.000) 4.164 9.705 ( -0.000 1.101 0.000) 1.101 9.758 ( -0.000 10.578 0.000) 10.578 11.712 ( 0.000 -2.862 -0.000) 2.862 ======================= Grid point 109 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( -5.561 10.899 1.379) 12.313 0.404 ( -4.984 12.281 3.887) 13.812 0.997 ( -13.038 26.525 1.173) 29.580 1.561 ( -0.504 -0.877 0.677) 1.217 1.684 ( -4.206 -2.921 -1.963) 5.484 1.741 ( 4.492 -1.412 2.229) 5.209 1.970 ( -1.069 1.819 -0.899) 2.293 1.989 ( -3.156 0.126 1.404) 3.456 2.242 ( 5.535 0.299 -1.387) 5.714 2.426 ( 0.191 -0.331 -1.030) 1.099 2.810 ( 5.479 -10.966 0.388) 12.265 3.025 ( 3.304 -2.590 -0.119) 4.199 3.283 ( 4.405 -9.056 0.050) 10.071 3.465 ( 1.421 -1.459 0.022) 2.037 4.913 ( 6.562 -8.288 0.024) 10.572 7.683 ( 5.108 -4.261 0.773) 6.697 7.875 ( 2.452 -2.568 0.055) 3.551 7.957 ( 0.868 -0.334 0.161) 0.943 8.131 ( -2.937 3.174 0.092) 4.326 8.533 ( -10.539 13.307 1.082) 17.010 8.678 ( 1.311 -0.347 0.182) 1.368 8.813 ( 2.641 1.075 -0.681) 2.931 9.013 ( -0.823 -1.936 -0.121) 2.107 9.152 ( -2.847 5.651 -0.258) 6.333 9.714 ( 0.173 0.958 -0.172) 0.989 9.939 ( -7.997 12.898 0.453) 15.183 11.660 ( 2.278 -4.201 -0.378) 4.794 ======================= Grid point 110 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -7.431 10.551 1.004) 12.944 0.651 ( -8.822 11.762 2.780) 14.963 1.433 ( -12.666 17.023 -0.841) 21.234 1.579 ( -1.768 0.516 2.334) 2.973 1.681 ( 3.487 -1.206 2.345) 4.371 1.701 ( -3.693 -0.580 -2.064) 4.270 1.964 ( 1.516 0.076 -2.627) 3.034 2.053 ( -3.132 -2.285 2.628) 4.684 2.201 ( -0.061 5.016 -1.168) 5.151 2.406 ( 0.368 -0.519 -1.876) 1.981 2.571 ( 10.875 -12.605 0.383) 16.653 2.939 ( 4.125 -2.749 0.023) 4.957 3.088 ( 7.412 -12.349 0.072) 14.403 3.419 ( 3.955 -0.014 -0.012) 3.955 4.696 ( 10.015 -9.350 -0.016) 13.702 7.592 ( 3.314 -1.553 0.504) 3.695 7.814 ( 2.429 -2.852 -0.034) 3.746 7.939 ( 1.262 0.288 0.100) 1.298 8.205 ( -1.972 3.990 0.203) 4.455 8.657 ( 1.244 -0.117 0.073) 1.252 8.758 ( 1.241 2.380 -1.488) 3.070 8.855 ( -11.214 9.292 1.834) 14.678 9.023 ( -2.817 -2.453 -0.175) 3.739 9.250 ( -2.497 6.555 -0.098) 7.015 9.708 ( 1.123 -0.132 -0.144) 1.140 10.221 ( -11.556 12.549 0.564) 17.068 11.558 ( 4.516 -5.364 -0.757) 7.052 ======================= Grid point 111 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -7.092 9.824 0.677) 12.136 0.937 ( -12.582 11.410 -0.059) 16.985 1.547 ( 0.432 1.341 0.586) 1.526 1.625 ( 0.445 -0.558 -0.366) 0.802 1.647 ( 1.184 -1.000 0.260) 1.572 1.838 ( 1.425 4.056 -0.905) 4.394 1.981 ( -13.484 3.455 -1.025) 13.957 2.078 ( -2.169 -3.820 2.077) 4.859 2.237 ( 13.224 -11.926 -0.719) 17.822 2.300 ( -3.832 4.212 -0.845) 5.757 2.431 ( -1.921 5.968 -0.510) 6.290 2.840 ( 8.012 -13.646 -0.001) 15.824 2.855 ( 3.257 -3.568 0.086) 4.832 3.327 ( 9.629 2.658 -0.134) 9.990 4.457 ( 8.136 -9.680 -0.113) 12.646 7.559 ( 0.087 -0.563 -0.032) 0.571 7.744 ( 3.355 -2.344 -0.091) 4.094 7.929 ( 0.425 0.264 -0.007) 0.500 8.263 ( -0.307 4.208 0.244) 4.227 8.638 ( 0.994 -0.170 -0.223) 1.033 8.733 ( 1.971 1.426 -0.419) 2.468 9.027 ( -2.970 -2.202 -0.998) 3.829 9.151 ( -11.541 7.202 1.253) 13.662 9.342 ( -1.439 6.154 0.188) 6.323 9.669 ( 2.761 -1.709 -0.016) 3.247 10.519 ( -11.632 10.578 0.625) 15.735 11.411 ( 6.357 -6.186 -1.008) 8.927 ======================= Grid point 112 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -2.160 7.566 -0.105) 7.869 1.230 ( -11.975 8.531 -2.415) 14.900 1.536 ( 2.813 0.149 1.203) 3.063 1.605 ( 0.032 -0.703 0.035) 0.705 1.634 ( -0.199 -0.207 0.015) 0.287 1.776 ( 4.054 -0.713 -1.713) 4.458 1.916 ( 9.704 -7.441 -0.162) 12.230 2.085 ( -0.608 -1.741 1.254) 2.230 2.253 ( -9.121 1.885 -1.433) 9.424 2.358 ( -9.900 -3.843 0.462) 10.630 2.577 ( 5.713 -10.624 -1.043) 12.107 2.618 ( -4.298 7.790 0.701) 8.925 2.798 ( 0.586 -2.509 -0.113) 2.578 3.170 ( 15.170 8.454 -0.276) 17.369 4.294 ( 0.844 -8.608 -0.248) 8.653 7.574 ( -2.748 -0.371 -0.586) 2.834 7.668 ( 3.568 -1.791 -0.076) 3.993 7.928 ( -0.116 0.210 -0.275) 0.365 8.293 ( 1.472 3.612 0.270) 3.910 8.620 ( 0.487 -0.429 -0.527) 0.836 8.721 ( 1.240 1.450 0.230) 1.922 9.032 ( -2.228 -2.978 -1.367) 3.963 9.373 ( -7.596 4.608 0.575) 8.903 9.403 ( 0.880 5.180 0.450) 5.274 9.593 ( 3.804 -2.564 0.135) 4.589 10.760 ( -6.589 6.623 0.465) 9.354 11.250 ( 4.782 -5.345 -0.713) 7.207 ======================= Grid point 113 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 6.216 2.683 -2.286) 7.146 1.252 ( 12.108 -3.457 -0.873) 12.622 1.524 ( -1.212 0.884 -1.429) 2.072 1.622 ( -1.895 0.222 -0.851) 2.089 1.646 ( -0.313 1.822 -0.748) 1.995 1.702 ( -0.627 -1.911 1.494) 2.505 1.935 ( -11.001 5.698 0.863) 12.419 2.092 ( -1.254 -1.640 0.574) 2.142 2.244 ( 6.067 -7.200 2.114) 9.650 2.359 ( 1.474 -7.431 -3.096) 8.184 2.605 ( -15.036 -0.096 -0.253) 15.039 2.647 ( 7.956 0.420 -0.025) 7.967 2.784 ( -1.803 -2.045 -0.774) 2.834 3.133 ( 2.187 16.075 0.018) 16.223 4.281 ( -7.464 -5.034 -0.368) 9.010 7.602 ( 2.718 -1.220 -0.039) 2.980 7.625 ( -4.770 -0.370 -0.967) 4.881 7.930 ( -0.261 0.267 -0.668) 0.766 8.287 ( 2.999 2.316 0.297) 3.801 8.607 ( -0.120 -0.732 -0.756) 1.059 8.724 ( 0.720 1.700 0.822) 2.020 9.022 ( -1.891 -3.519 -1.772) 4.371 9.381 ( 6.850 -1.956 -0.082) 7.124 9.421 ( 4.026 3.145 0.556) 5.139 9.593 ( -4.142 1.806 0.390) 4.535 10.762 ( 9.000 -2.300 -0.673) 9.314 11.242 ( -6.625 0.993 0.795) 6.746 ======================= Grid point 114 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 10.602 -0.172 -3.729) 11.240 0.954 ( 15.974 -4.938 -2.848) 16.960 1.520 ( 1.614 -0.949 -0.251) 1.889 1.633 ( -0.285 -0.005 -0.729) 0.782 1.672 ( -0.703 1.494 1.157) 2.016 1.741 ( -1.061 0.771 1.087) 1.704 2.005 ( 9.927 -11.065 1.609) 14.952 2.089 ( -0.123 -1.081 -0.160) 1.099 2.267 ( -18.528 7.261 0.069) 19.900 2.294 ( 4.055 -0.233 -2.088) 4.567 2.457 ( 8.644 1.020 0.322) 8.710 2.812 ( -4.528 -1.511 -1.238) 4.931 2.888 ( -17.265 0.772 -0.272) 17.285 3.273 ( -2.756 8.892 -0.020) 9.310 4.420 ( -13.244 -0.478 -0.399) 13.258 7.563 ( 0.723 -0.585 -0.283) 0.972 7.701 ( -5.877 -0.250 -0.815) 5.938 7.931 ( -0.380 0.502 -1.106) 1.273 8.248 ( 3.997 0.702 0.343) 4.073 8.600 ( -0.777 -0.915 -0.830) 1.459 8.741 ( 0.390 1.974 1.298) 2.395 9.001 ( -1.593 -3.842 -1.925) 4.583 9.190 ( 12.281 -3.685 -0.811) 12.847 9.375 ( 6.151 2.694 0.681) 6.750 9.667 ( -2.536 1.118 0.365) 2.796 10.517 ( 15.117 -4.951 -0.897) 15.932 11.400 ( -8.673 2.248 1.301) 9.053 ======================= Grid point 115 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 11.757 -0.066 -4.764) 12.686 0.654 ( 12.641 -3.648 -5.646) 14.317 1.363 ( 18.803 -5.168 1.328) 19.546 1.618 ( 1.173 0.002 -0.814) 1.428 1.661 ( -1.765 -0.598 -5.522) 5.828 1.768 ( 0.693 4.129 4.991) 6.515 1.894 ( -0.975 -3.893 3.602) 5.392 2.053 ( 2.828 -2.587 0.230) 3.839 2.204 ( 3.436 1.421 -2.724) 4.610 2.413 ( 0.545 0.460 0.676) 0.983 2.617 ( -17.427 5.177 0.058) 18.180 2.870 ( -5.532 -1.319 -1.377) 5.852 3.148 ( -14.439 1.524 -0.221) 14.521 3.364 ( -2.431 2.472 -0.114) 3.469 4.650 ( -14.951 1.412 -0.332) 15.021 7.572 ( -2.753 0.182 -0.578) 2.819 7.786 ( -5.784 -0.270 -0.446) 5.807 7.936 ( -0.708 0.777 -1.467) 1.804 8.186 ( 4.263 -0.472 0.429) 4.311 8.603 ( -1.441 -0.810 -0.765) 1.821 8.763 ( 1.261 1.442 1.920) 2.712 8.929 ( 13.746 -1.629 -1.935) 13.977 8.982 ( -0.852 -3.809 -1.775) 4.288 9.292 ( 7.376 1.595 0.683) 7.578 9.698 ( -0.460 0.154 0.399) 0.628 10.217 ( 16.536 -3.714 -0.800) 16.967 11.552 ( -7.061 1.305 1.156) 7.273 ======================= Grid point 116 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 9.400 -0.000 -9.233) 13.176 0.414 ( 10.846 0.000 -5.100) 11.985 0.947 ( 27.662 0.000 -1.304) 27.693 1.596 ( 1.126 0.000 -0.581) 1.267 1.683 ( -4.640 -0.000 -2.836) 5.438 1.848 ( -0.400 0.000 7.248) 7.259 1.914 ( -1.639 0.000 1.316) 2.102 1.985 ( 4.008 0.000 1.051) 4.143 2.161 ( -0.092 -0.000 -5.415) 5.416 2.421 ( -0.251 0.000 0.869) 0.904 2.889 ( -13.042 -0.000 0.263) 13.045 2.932 ( -4.623 -0.000 -1.201) 4.777 3.351 ( -10.097 -0.000 -0.156) 10.098 3.404 ( -1.879 -0.000 -0.103) 1.881 4.878 ( -12.651 -0.000 -0.214) 12.653 7.648 ( -7.548 -0.000 -1.116) 7.630 7.865 ( -4.631 -0.000 -0.089) 4.632 7.942 ( -0.921 -0.000 -1.416) 1.689 8.122 ( 3.599 0.000 0.429) 3.624 8.609 ( 17.310 0.000 -1.618) 17.386 8.619 ( -1.799 -0.000 -0.624) 1.904 8.819 ( -0.068 0.000 0.907) 0.909 8.977 ( -1.992 -0.000 -1.036) 2.245 9.190 ( 7.112 0.000 0.652) 7.142 9.700 ( 0.469 0.000 0.433) 0.638 9.941 ( 14.989 0.000 -0.750) 15.008 11.659 ( -4.770 -0.000 0.762) 4.831 ======================= Grid point 117 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 13.322 0.000 -0.000) 13.322 0.370 ( 11.944 0.000 -0.000) 11.944 0.938 ( 28.999 0.000 -0.000) 28.999 1.591 ( 1.228 0.000 -0.000) 1.228 1.655 ( -5.661 -0.000 0.000) 5.661 1.919 ( -0.856 -0.000 0.000) 0.856 1.924 ( -1.662 -0.000 0.000) 1.662 2.033 ( 1.980 0.000 -0.000) 1.980 2.063 ( 3.154 0.000 -0.000) 3.154 2.432 ( -0.147 -0.000 0.000) 0.147 2.891 ( -13.104 -0.000 0.000) 13.104 2.922 ( -4.644 -0.000 0.000) 4.644 3.350 ( -10.099 -0.000 0.000) 10.099 3.403 ( -1.878 -0.000 0.000) 1.878 4.876 ( -12.669 -0.000 0.000) 12.669 7.638 ( -6.872 -0.000 0.000) 6.872 7.864 ( -4.727 -0.000 0.000) 4.727 7.931 ( -0.814 -0.000 0.000) 0.814 8.126 ( 3.606 0.000 -0.000) 3.606 8.595 ( 19.131 0.000 -0.000) 19.131 8.614 ( -1.778 -0.000 0.000) 1.778 8.826 ( -1.395 -0.000 0.000) 1.395 8.969 ( -2.294 -0.000 0.000) 2.294 9.195 ( 7.002 0.000 -0.000) 7.002 9.703 ( 0.350 0.000 -0.000) 0.350 9.935 ( 15.150 0.000 -0.000) 15.150 11.665 ( -4.709 -0.000 0.000) 4.709 ======================= Grid point 119 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.263 ( 0.000 9.437 5.239) 10.794 0.326 ( 0.000 8.017 10.419) 13.146 0.636 ( 0.000 28.814 5.252) 29.288 1.572 ( 0.000 -0.601 1.146) 1.294 1.635 ( -0.000 -0.737 -2.762) 2.859 1.838 ( 0.000 -3.754 4.392) 5.778 1.937 ( 0.000 2.285 -0.158) 2.291 1.968 ( 0.000 -0.372 1.623) 1.666 2.278 ( -0.000 -0.160 -6.164) 6.166 2.427 ( -0.000 -1.218 0.008) 1.218 2.943 ( 0.000 -7.540 1.060) 7.615 3.076 ( -0.000 -2.403 -0.424) 2.441 3.384 ( -0.000 -5.594 0.086) 5.595 3.494 ( -0.000 -1.678 0.060) 1.679 5.036 ( -0.000 -6.263 0.109) 6.264 7.815 ( 0.000 -9.786 2.381) 10.072 7.927 ( -0.000 -1.381 -0.217) 1.398 7.984 ( 0.000 -3.151 1.419) 3.456 8.066 ( 0.000 3.305 -0.093) 3.307 8.332 ( 0.000 12.464 4.124) 13.128 8.704 ( 0.000 -1.211 0.491) 1.306 8.796 ( -0.000 3.659 -3.633) 5.157 9.033 ( -0.000 -1.239 -0.796) 1.473 9.066 ( 0.000 4.174 0.020) 4.175 9.699 ( -0.000 1.789 -0.715) 1.927 9.770 ( 0.000 9.953 1.355) 10.045 11.707 ( -0.000 -2.919 -0.566) 2.973 ======================= Grid point 120 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -4.975 8.438 4.664) 10.849 0.498 ( -3.392 7.797 7.597) 11.402 1.029 ( -11.795 24.606 2.651) 27.416 1.579 ( -0.486 -0.480 1.447) 1.601 1.635 ( -3.380 -1.866 -3.830) 5.438 1.794 ( 4.688 -1.982 4.065) 6.514 1.958 ( 0.954 2.545 -0.716) 2.811 2.009 ( -3.533 0.432 0.950) 3.684 2.199 ( 2.463 -0.299 -4.118) 4.807 2.407 ( 0.376 -1.427 -0.920) 1.739 2.820 ( 5.795 -11.228 0.671) 12.653 3.021 ( 2.909 -2.761 -0.352) 4.027 3.285 ( 4.396 -9.072 0.133) 10.081 3.465 ( 1.402 -1.550 0.065) 2.090 4.914 ( 6.544 -8.422 0.071) 10.666 7.702 ( 5.645 -4.955 1.521) 7.664 7.877 ( 2.306 -2.904 0.084) 3.709 7.962 ( 1.260 -0.434 0.363) 1.381 8.134 ( -3.097 3.074 0.332) 4.377 8.560 ( -9.550 11.460 2.199) 15.079 8.683 ( 1.476 -0.454 0.433) 1.604 8.794 ( 1.225 2.097 -1.638) 2.929 9.009 ( -1.030 -2.102 -0.361) 2.369 9.146 ( -2.951 5.784 -0.395) 6.505 9.709 ( 0.075 1.185 -0.458) 1.273 9.953 ( -7.688 12.745 1.183) 14.931 11.650 ( 2.362 -4.241 -0.871) 4.932 ======================= Grid point 121 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -6.048 8.446 3.068) 10.832 0.701 ( -7.578 8.283 3.463) 11.748 1.422 ( -10.066 14.531 -0.499) 17.684 1.618 ( -2.509 1.856 2.524) 4.014 1.634 ( -3.224 -1.218 -4.526) 5.689 1.756 ( 2.121 0.225 5.302) 5.715 1.923 ( 3.345 0.907 -2.748) 4.423 2.084 ( -4.020 -2.196 1.139) 4.720 2.175 ( -1.427 5.180 -2.157) 5.790 2.380 ( 0.012 -1.839 -1.019) 2.102 2.574 ( 10.983 -12.629 -0.057) 16.736 2.939 ( 3.675 -3.154 -0.166) 4.846 3.090 ( 7.433 -12.410 0.136) 14.467 3.419 ( 3.957 -0.169 0.003) 3.961 4.696 ( 9.996 -9.535 -0.019) 13.814 7.602 ( 3.929 -1.808 0.730) 4.386 7.813 ( 2.132 -3.569 -0.085) 4.158 7.941 ( 1.274 0.161 0.129) 1.290 8.210 ( -1.928 3.932 0.442) 4.402 8.658 ( 1.415 -0.383 0.024) 1.467 8.736 ( 0.372 2.327 -1.220) 2.653 8.883 ( -10.318 8.449 1.643) 13.437 9.019 ( -3.168 -2.539 -0.419) 4.082 9.249 ( -2.822 6.566 -0.017) 7.146 9.705 ( 1.025 0.060 -0.272) 1.062 10.233 ( -11.349 12.457 0.939) 16.878 11.542 ( 4.619 -5.330 -1.155) 7.147 ======================= Grid point 122 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -7.137 8.452 1.406) 11.151 0.936 ( -10.795 8.490 -0.169) 13.734 1.534 ( -0.806 1.669 -2.370) 3.009 1.622 ( -0.165 -0.782 0.710) 1.069 1.672 ( 2.017 0.291 2.360) 3.118 1.820 ( 3.833 1.701 -1.339) 4.402 1.971 ( -14.417 4.845 -0.206) 15.210 2.095 ( -1.896 -3.774 0.014) 4.223 2.226 ( 12.602 -12.221 -0.693) 17.568 2.286 ( -3.915 3.848 -0.828) 5.551 2.429 ( -3.007 5.834 0.340) 6.572 2.841 ( 8.219 -14.171 0.128) 16.383 2.853 ( 2.845 -3.655 -0.338) 4.644 3.325 ( 9.690 2.508 -0.090) 10.010 4.455 ( 8.115 -9.906 -0.132) 12.807 7.558 ( 0.654 -0.735 -0.050) 0.985 7.741 ( 2.782 -3.269 -0.193) 4.297 7.929 ( 0.511 0.096 0.041) 0.521 8.269 ( -0.214 4.222 0.418) 4.248 8.633 ( 1.016 -0.583 -0.369) 1.228 8.725 ( 1.327 1.651 -0.560) 2.190 9.014 ( -2.907 -3.094 -0.687) 4.301 9.168 ( -11.173 7.024 0.892) 13.227 9.346 ( -1.601 6.255 0.358) 6.466 9.668 ( 2.683 -1.514 -0.083) 3.082 10.530 ( -11.581 10.460 0.785) 15.625 11.393 ( 6.315 -6.035 -1.207) 8.818 ======================= Grid point 123 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -1.069 5.864 0.454) 5.978 1.188 ( -12.327 6.945 -2.809) 14.425 1.517 ( 0.280 -0.207 -2.571) 2.594 1.631 ( 0.021 -0.048 0.812) 0.814 1.651 ( 3.295 -1.660 3.476) 5.069 1.758 ( 3.403 -0.726 -0.534) 3.520 1.914 ( 8.471 -6.251 -0.172) 10.529 2.084 ( -1.002 -1.017 -1.569) 2.121 2.234 ( -9.635 0.803 -0.875) 9.708 2.366 ( -10.075 -2.365 0.498) 10.361 2.563 ( 5.419 -10.333 -0.780) 11.694 2.633 ( -3.521 5.555 1.219) 6.689 2.792 ( 0.477 -2.955 -0.709) 3.076 3.167 ( 15.195 8.506 -0.080) 17.414 4.290 ( 0.810 -8.876 -0.243) 8.916 7.564 ( -2.387 -0.458 -0.603) 2.504 7.666 ( 2.974 -2.718 -0.221) 4.035 7.925 ( 0.078 -0.053 -0.126) 0.158 8.298 ( 1.592 3.723 0.386) 4.068 8.611 ( 0.407 -0.886 -0.619) 1.155 8.723 ( 0.809 1.882 0.033) 2.048 9.013 ( -2.335 -4.029 -1.019) 4.767 9.381 ( -7.107 4.480 0.349) 8.408 9.411 ( 0.806 5.378 0.582) 5.469 9.594 ( 3.742 -2.332 0.022) 4.409 10.767 ( -6.074 6.223 0.423) 8.706 11.239 ( 4.009 -4.852 -0.648) 6.328 ======================= Grid point 124 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 7.309 0.919 -1.547) 7.527 1.235 ( 11.058 -4.727 -1.253) 12.091 1.487 ( -1.270 0.230 -2.584) 2.888 1.604 ( -2.339 -0.427 -1.135) 2.634 1.654 ( -1.106 2.256 0.927) 2.678 1.744 ( -0.501 -0.883 3.657) 3.795 1.948 ( -10.134 5.745 0.678) 11.669 2.080 ( -1.548 -0.800 -2.087) 2.719 2.276 ( 5.697 -5.511 1.810) 8.131 2.316 ( 1.426 -10.027 -2.103) 10.344 2.602 ( -15.382 -0.249 -0.199) 15.386 2.650 ( 8.655 0.371 0.349) 8.670 2.769 ( -1.882 -2.565 -1.121) 3.374 3.135 ( 2.039 15.863 0.207) 15.994 4.275 ( -7.535 -5.296 -0.299) 9.215 7.599 ( 1.863 -2.066 -0.446) 2.817 7.613 ( -4.204 -0.219 -0.565) 4.248 7.922 ( -0.021 -0.147 -0.347) 0.377 8.293 ( 3.147 2.526 0.352) 4.051 8.595 ( -0.250 -1.131 -0.687) 1.347 8.734 ( 0.432 2.261 0.453) 2.346 8.999 ( -2.068 -4.597 -1.113) 5.162 9.380 ( 7.498 -2.477 -0.040) 7.897 9.428 ( 3.854 3.760 0.356) 5.396 9.597 ( -4.104 2.010 0.208) 4.575 10.752 ( 9.443 -2.672 -0.570) 9.830 11.255 ( -7.372 1.446 0.685) 7.543 ======================= Grid point 125 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 10.984 -1.586 -2.092) 11.294 0.914 ( 17.443 -6.518 -2.096) 18.739 1.509 ( -2.055 0.117 -0.834) 2.220 1.624 ( -0.358 0.120 -0.449) 0.587 1.701 ( 2.867 0.601 2.046) 3.573 1.756 ( 0.930 0.423 0.774) 1.282 2.028 ( 7.928 -9.719 1.213) 12.601 2.070 ( -1.478 -1.600 -1.965) 2.933 2.266 ( -13.240 5.656 -0.221) 14.399 2.271 ( -0.378 0.825 -0.660) 1.123 2.468 ( 8.263 1.354 0.814) 8.413 2.793 ( -4.674 -2.023 -1.035) 5.197 2.884 ( -17.304 0.717 -0.171) 17.320 3.273 ( -2.653 8.745 0.052) 9.139 4.414 ( -13.333 -0.651 -0.249) 13.351 7.558 ( 0.567 -1.030 -0.345) 1.225 7.690 ( -5.906 -0.073 -0.495) 5.928 7.919 ( -0.154 -0.060 -0.529) 0.554 8.253 ( 4.139 0.989 0.299) 4.266 8.589 ( -0.921 -1.211 -0.569) 1.625 8.757 ( 0.140 2.692 0.723) 2.791 8.978 ( -1.924 -4.879 -0.919) 5.324 9.178 ( 13.101 -3.828 -0.690) 13.667 9.383 ( 6.143 2.865 0.389) 6.789 9.672 ( -2.554 1.240 0.177) 2.844 10.506 ( 15.105 -5.017 -0.546) 15.926 11.417 ( -8.798 2.327 0.818) 9.137 ======================= Grid point 126 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 13.880 -2.128 -1.315) 14.103 0.583 ( 14.097 -3.656 -3.015) 14.872 1.390 ( 23.019 -5.895 1.576) 23.814 1.581 ( -2.935 0.736 -3.052) 4.297 1.615 ( 0.391 -0.579 -0.412) 0.811 1.820 ( -1.373 6.271 1.602) 6.617 1.954 ( -2.141 -7.064 3.298) 8.085 2.052 ( 1.014 -0.945 -0.457) 1.460 2.153 ( 6.157 0.880 -2.672) 6.769 2.429 ( 0.739 0.485 0.814) 1.201 2.618 ( -17.453 5.457 -0.008) 18.287 2.853 ( -5.724 -1.751 -0.626) 6.019 3.146 ( -14.461 1.502 -0.085) 14.539 3.362 ( -2.378 2.435 -0.029) 3.404 4.647 ( -15.010 1.345 -0.128) 15.071 7.565 ( -2.556 0.023 -0.308) 2.575 7.781 ( -5.908 -0.090 -0.175) 5.911 7.920 ( -0.517 0.261 -0.492) 0.760 8.191 ( 4.337 -0.205 0.200) 4.346 8.594 ( -1.515 -0.969 -0.323) 1.827 8.790 ( 0.028 2.549 1.225) 2.828 8.902 ( 16.317 -2.515 -1.210) 16.554 8.961 ( -1.890 -4.305 -0.739) 4.760 9.300 ( 7.333 1.733 0.252) 7.539 9.702 ( -0.545 0.214 0.140) 0.602 10.208 ( 16.578 -3.768 -0.301) 17.004 11.565 ( -7.014 1.315 0.458) 7.151 ======================= Grid point 130 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 0.000 6.514 6.736) 9.370 0.496 ( 0.000 6.202 10.589) 12.272 0.741 ( 0.000 20.734 7.529) 22.059 1.579 ( -0.000 -0.565 -4.140) 4.179 1.596 ( 0.000 -0.049 2.015) 2.016 1.882 ( 0.000 -1.885 1.054) 2.160 1.936 ( 0.000 2.553 -0.036) 2.553 1.997 ( 0.000 -0.674 1.893) 2.009 2.166 ( -0.000 0.820 -7.479) 7.524 2.439 ( 0.000 -3.660 1.267) 3.874 2.961 ( 0.000 -7.893 1.080) 7.966 3.067 ( -0.000 -2.493 -0.689) 2.586 3.386 ( -0.000 -5.589 0.138) 5.591 3.496 ( -0.000 -1.761 0.152) 1.768 5.038 ( -0.000 -6.414 0.195) 6.417 7.847 ( 0.000 -10.161 1.700) 10.303 7.923 ( -0.000 -1.478 -0.348) 1.519 8.010 ( 0.000 -3.247 1.793) 3.709 8.064 ( 0.000 3.364 -0.139) 3.367 8.389 ( 0.000 11.118 2.700) 11.441 8.715 ( 0.000 -1.289 0.779) 1.506 8.746 ( -0.000 4.620 -2.406) 5.209 9.019 ( -0.000 -1.662 -0.936) 1.907 9.067 ( 0.000 4.203 0.033) 4.203 9.687 ( -0.000 2.169 -0.700) 2.279 9.795 ( 0.000 9.606 1.750) 9.765 11.696 ( -0.000 -3.105 -0.757) 3.196 ======================= Grid point 131 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -4.948 6.195 5.468) 9.631 0.626 ( -1.230 2.956 8.397) 8.986 1.069 ( -10.237 21.529 2.062) 23.928 1.556 ( -1.863 -1.007 -4.380) 4.865 1.624 ( -0.796 0.307 2.583) 2.720 1.852 ( 3.201 -0.854 2.819) 4.350 1.946 ( 3.347 2.473 -0.850) 4.247 2.015 ( -2.826 1.838 -0.147) 3.374 2.124 ( -1.117 -0.576 -4.905) 5.063 2.405 ( 0.385 -3.654 0.735) 3.747 2.828 ( 6.187 -11.723 0.282) 13.259 3.014 ( 2.370 -3.076 -0.517) 3.917 3.287 ( 4.372 -9.094 0.168) 10.091 3.467 ( 1.376 -1.703 0.088) 2.191 4.915 ( 6.531 -8.625 0.099) 10.819 7.725 ( 6.083 -5.260 1.380) 8.159 7.877 ( 1.973 -3.408 0.010) 3.938 7.968 ( 1.897 -0.501 0.361) 1.995 8.141 ( -3.398 2.774 0.603) 4.428 8.595 ( -8.801 9.948 2.048) 13.439 8.690 ( 1.767 -0.545 0.425) 1.897 8.766 ( -0.180 2.701 -1.864) 3.287 9.002 ( -1.454 -2.384 -0.544) 2.845 9.142 ( -2.992 5.788 -0.167) 6.517 9.701 ( -0.018 1.449 -0.530) 1.543 9.974 ( -7.296 12.535 1.437) 14.575 11.635 ( 2.528 -4.357 -0.954) 5.127 ======================= Grid point 132 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -4.617 5.395 4.101) 8.200 0.753 ( -5.925 5.008 2.942) 8.297 1.416 ( -8.941 12.707 -0.255) 15.539 1.556 ( -4.465 0.926 -4.944) 6.726 1.665 ( -0.621 1.502 3.121) 3.519 1.840 ( 0.732 0.261 5.062) 5.121 1.877 ( 4.417 1.063 -2.961) 5.423 2.084 ( -3.067 -2.530 -1.292) 4.180 2.140 ( -3.599 7.009 -1.951) 8.117 2.381 ( -0.638 -3.251 1.054) 3.476 2.569 ( 11.156 -13.290 -0.600) 17.362 2.934 ( 3.271 -3.670 -0.446) 4.936 3.093 ( 7.440 -12.467 0.161) 14.519 3.419 ( 3.927 -0.362 0.030) 3.944 4.695 ( 9.980 -9.752 -0.011) 13.954 7.613 ( 4.611 -1.980 0.649) 5.059 7.811 ( 1.777 -4.443 -0.118) 4.787 7.943 ( 1.246 0.038 0.096) 1.251 8.218 ( -1.891 3.774 0.585) 4.262 8.658 ( 1.585 -0.708 -0.111) 1.740 8.721 ( 0.488 1.671 -0.724) 1.885 8.905 ( -10.745 8.400 1.072) 13.681 9.010 ( -3.320 -2.825 -0.609) 4.402 9.250 ( -3.183 6.505 0.141) 7.243 9.700 ( 0.923 0.283 -0.304) 1.012 10.248 ( -11.102 12.324 0.963) 16.615 11.524 ( 4.776 -5.318 -1.090) 7.231 ======================= Grid point 133 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -7.717 6.393 1.735) 10.170 0.932 ( -8.262 6.200 -0.297) 10.334 1.489 ( -0.630 0.334 -2.941) 3.026 1.639 ( -1.145 0.840 1.180) 1.847 1.712 ( 0.457 2.402 2.583) 3.556 1.798 ( 3.649 0.868 -1.488) 4.035 1.975 ( -10.845 3.423 0.721) 11.395 2.079 ( -3.228 -2.837 -1.861) 4.683 2.215 ( 13.227 -13.285 -0.683) 18.759 2.275 ( -4.261 4.414 -0.574) 6.162 2.442 ( -4.276 4.857 1.239) 6.589 2.843 ( 7.609 -13.504 0.013) 15.501 2.846 ( 3.290 -4.854 -0.483) 5.884 3.324 ( 9.681 2.351 -0.010) 9.963 4.453 ( 8.100 -10.124 -0.100) 12.966 7.557 ( 1.218 -0.877 -0.048) 1.501 7.738 ( 2.246 -4.246 -0.217) 4.808 7.930 ( 0.563 0.024 0.072) 0.569 8.276 ( -0.128 4.203 0.437) 4.227 8.627 ( 1.018 -1.003 -0.383) 1.480 8.717 ( 0.842 1.691 -0.479) 1.949 9.006 ( -2.750 -3.947 -0.336) 4.822 9.179 ( -11.071 7.108 0.413) 13.163 9.353 ( -1.802 6.279 0.388) 6.544 9.667 ( 2.629 -1.329 -0.117) 2.948 10.542 ( -11.516 10.327 0.642) 15.482 11.375 ( 6.282 -5.891 -0.947) 8.664 ======================= Grid point 134 (54/171) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.351 4.253 0.796) 4.341 1.148 ( -12.823 5.776 -2.131) 14.225 1.479 ( -0.962 -0.267 -1.928) 2.171 1.636 ( 0.441 -0.156 0.174) 0.499 1.699 ( 6.900 -4.305 1.524) 8.275 1.772 ( 0.423 1.012 2.637) 2.856 1.910 ( 7.337 -4.988 -0.381) 8.880 2.044 ( -1.339 -0.404 -3.032) 3.339 2.226 ( -10.208 -0.125 -0.207) 10.211 2.372 ( -9.717 -1.291 0.308) 9.807 2.554 ( 5.444 -10.740 -0.364) 12.047 2.653 ( -3.198 4.582 1.163) 5.707 2.779 ( 0.481 -3.532 -0.876) 3.671 3.167 ( 15.066 8.514 0.045) 17.305 4.287 ( 0.788 -9.091 -0.147) 9.126 7.556 ( -2.080 -0.557 -0.379) 2.186 7.662 ( 2.487 -3.539 -0.209) 4.330 7.924 ( 0.245 -0.121 -0.004) 0.273 8.304 ( 1.688 3.822 0.301) 4.189 8.603 ( 0.335 -1.263 -0.433) 1.377 8.722 ( 0.450 2.074 -0.095) 2.125 9.002 ( -2.365 -4.704 -0.459) 5.285 9.384 ( -6.819 4.471 0.131) 8.155 9.419 ( 0.752 5.426 0.420) 5.494 9.594 ( 3.731 -2.174 -0.047) 4.318 10.772 ( -5.600 5.865 0.238) 8.113 11.231 ( 3.332 -4.428 -0.366) 5.553 ======================= Grid point 135 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 7.959 -0.229 -0.515) 7.979 1.219 ( 10.199 -5.456 -0.608) 11.583 1.457 ( -0.891 -0.125 -1.057) 1.389 1.591 ( -2.709 -0.991 -0.436) 2.917 1.664 ( -2.081 2.761 0.331) 3.473 1.800 ( 0.102 -0.426 2.614) 2.650 1.955 ( -9.655 5.787 0.265) 11.260 2.040 ( -1.527 -0.142 -2.153) 2.644 2.294 ( 8.114 -15.546 -0.069) 17.537 2.298 ( -1.446 -0.728 0.205) 1.632 2.600 ( -15.674 -0.349 -0.077) 15.678 2.655 ( 9.378 0.477 0.251) 9.393 2.754 ( -2.240 -3.013 -0.581) 3.799 3.138 ( 1.963 15.661 0.118) 15.784 4.272 ( -7.578 -5.459 -0.114) 9.341 7.592 ( 0.291 -2.370 -0.289) 2.405 7.608 ( -2.829 -0.436 -0.144) 2.866 7.919 ( 0.159 -0.281 -0.086) 0.334 8.297 ( 3.239 2.677 0.164) 4.205 8.587 ( -0.343 -1.401 -0.283) 1.470 8.738 ( 0.203 2.517 0.103) 2.528 8.988 ( -2.145 -5.139 -0.329) 5.578 9.380 ( 7.965 -2.845 -0.022) 8.458 9.432 ( 3.728 4.131 0.123) 5.566 9.599 ( -4.100 2.133 0.057) 4.622 10.746 ( 9.684 -2.879 -0.223) 10.105 11.262 ( -7.806 1.702 0.271) 7.994 ======================= Grid point 136 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 11.042 -2.209 -0.000) 11.260 0.896 ( 18.110 -7.137 -0.000) 19.465 1.501 ( -3.528 0.575 0.000) 3.575 1.620 ( -0.450 0.150 0.000) 0.474 1.720 ( 4.613 0.546 -0.000) 4.645 1.762 ( 2.532 -0.273 -0.000) 2.547 2.042 ( -0.758 0.277 0.000) 0.807 2.046 ( 4.641 -11.100 -0.000) 12.031 2.264 ( 5.663 -1.094 -0.000) 5.768 2.267 ( -18.496 7.412 0.000) 19.926 2.475 ( 7.906 1.518 -0.000) 8.051 2.784 ( -4.757 -2.247 0.000) 5.261 2.883 ( -17.317 0.697 0.000) 17.331 3.274 ( -2.607 8.682 0.000) 9.065 4.412 ( -13.367 -0.719 0.000) 13.386 7.555 ( 0.491 -1.233 -0.000) 1.327 7.686 ( -5.907 -0.009 0.000) 5.907 7.915 ( -0.048 -0.225 0.000) 0.230 8.256 ( 4.192 1.105 -0.000) 4.336 8.584 ( -0.981 -1.339 0.000) 1.660 8.763 ( -0.028 2.978 0.000) 2.978 8.971 ( -2.082 -5.256 0.000) 5.653 9.172 ( 13.542 -3.909 -0.000) 14.095 9.386 ( 6.134 2.921 -0.000) 6.794 9.673 ( -2.565 1.284 0.000) 2.869 10.501 ( 15.098 -5.042 -0.000) 15.918 11.424 ( -8.850 2.357 0.000) 9.159 ======================= Grid point 139 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 9.116 0.000 6.902) 11.435 0.554 ( 4.989 0.000 10.574) 11.691 0.979 ( 24.452 0.000 2.668) 24.597 1.609 ( 0.815 0.000 1.132) 1.395 1.676 ( 2.789 -0.000 -5.556) 6.217 1.792 ( -6.057 -0.000 2.093) 6.409 1.884 ( -1.550 -0.000 -2.411) 2.866 1.979 ( 3.474 0.000 -0.033) 3.474 2.193 ( 1.120 -0.000 -1.177) 1.625 2.427 ( -1.414 0.000 1.894) 2.364 2.883 ( -12.880 -0.000 -0.427) 12.887 2.954 ( -4.553 -0.000 1.529) 4.803 3.354 ( -10.090 -0.000 0.247) 10.093 3.406 ( -1.864 -0.000 0.195) 1.874 4.882 ( -12.605 -0.000 0.343) 12.610 7.665 ( -8.323 -0.000 0.937) 8.375 7.867 ( -4.380 -0.000 0.149) 4.383 7.974 ( -1.165 0.000 2.529) 2.785 8.114 ( 3.586 0.000 -0.588) 3.634 8.631 ( -1.841 -0.000 0.862) 2.033 8.639 ( 13.909 0.000 2.000) 14.052 8.800 ( 2.589 -0.000 -1.502) 2.993 9.000 ( -1.191 0.000 1.711) 2.085 9.177 ( 7.194 0.000 -0.954) 7.257 9.691 ( 0.674 -0.000 -0.668) 0.949 9.956 ( 14.644 0.000 1.187) 14.692 11.643 ( -5.007 -0.000 -1.096) 5.126 ======================= Grid point 141 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 0.000 4.682 5.957) 7.577 0.646 ( 0.000 9.271 8.456) 12.548 0.850 ( 0.000 10.367 5.956) 11.956 1.513 ( -0.000 -0.353 -4.085) 4.100 1.635 ( 0.000 0.770 2.915) 3.015 1.875 ( -0.000 1.208 -1.784) 2.155 1.936 ( 0.000 2.674 0.001) 2.674 2.024 ( 0.000 -0.816 1.497) 1.705 2.059 ( -0.000 0.037 -5.883) 5.883 2.461 ( 0.000 -4.722 1.462) 4.943 2.974 ( -0.000 -8.398 0.599) 8.419 3.056 ( -0.000 -2.605 -0.693) 2.695 3.388 ( -0.000 -5.582 0.136) 5.584 3.498 ( -0.000 -1.887 0.161) 1.894 5.041 ( -0.000 -6.585 0.203) 6.588 7.869 ( -0.000 -9.894 1.137) 9.959 7.917 ( -0.000 -1.596 -0.344) 1.633 8.038 ( 0.000 -3.273 1.706) 3.691 8.062 ( 0.000 3.434 -0.126) 3.436 8.417 ( 0.000 12.260 1.078) 12.307 8.721 ( -0.000 2.688 -0.987) 2.864 8.727 ( 0.000 -1.386 0.762) 1.582 9.005 ( -0.000 -1.881 -0.916) 2.092 9.067 ( 0.000 4.239 0.035) 4.239 9.678 ( -0.000 2.036 -0.449) 2.085 9.822 ( 0.000 9.672 1.550) 9.795 11.684 ( -0.000 -3.235 -0.715) 3.313 ======================= Grid point 142 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -5.064 4.796 4.357) 8.224 0.750 ( 0.744 -0.975 7.106) 7.211 1.086 ( -9.412 19.158 0.029) 21.345 1.490 ( -1.176 -0.622 -3.692) 3.925 1.674 ( -0.257 1.424 3.663) 3.939 1.863 ( 1.594 1.902 -1.812) 3.073 1.944 ( 3.962 0.726 0.999) 4.150 2.008 ( -2.696 3.126 -0.739) 4.194 2.060 ( -1.940 -0.937 -2.992) 3.687 2.424 ( 0.026 -4.850 1.349) 5.034 2.828 ( 6.424 -12.374 -0.141) 13.943 3.006 ( 1.974 -3.441 -0.501) 3.999 3.290 ( 4.340 -9.113 0.138) 10.094 3.468 ( 1.346 -1.857 0.075) 2.294 4.917 ( 6.527 -8.815 0.087) 10.968 7.744 ( 6.368 -5.182 0.909) 8.260 7.877 ( 1.581 -3.883 -0.044) 4.193 7.972 ( 2.500 -0.497 0.224) 2.559 8.151 ( -3.729 2.297 0.652) 4.428 8.623 ( -8.842 9.781 1.554) 13.276 8.695 ( 1.937 -0.363 0.105) 1.974 8.739 ( -0.516 1.862 -1.459) 2.421 8.994 ( -1.885 -2.602 -0.517) 3.254 9.141 ( -3.068 5.700 0.013) 6.473 9.694 ( -0.038 1.600 -0.384) 1.646 9.995 ( -6.993 12.375 1.142) 14.260 11.621 ( 2.693 -4.464 -0.722) 5.263 ======================= Grid point 143 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -3.672 2.950 3.469) 5.850 0.787 ( -4.408 2.669 1.196) 5.290 1.416 ( -9.050 11.519 0.405) 14.654 1.485 ( -4.332 2.357 -3.855) 6.260 1.716 ( 0.630 1.588 3.325) 3.738 1.823 ( 2.813 1.310 -3.440) 4.633 1.920 ( 0.779 -0.188 4.600) 4.669 2.045 ( -1.386 -1.718 -3.313) 3.981 2.120 ( -5.159 7.363 -0.627) 9.012 2.404 ( -1.271 -3.460 1.512) 3.984 2.558 ( 11.284 -14.396 -0.708) 18.305 2.926 ( 3.071 -4.105 -0.433) 5.145 3.095 ( 7.425 -12.498 0.110) 14.538 3.419 ( 3.876 -0.517 0.032) 3.911 4.695 ( 9.973 -9.919 -0.002) 14.066 7.622 ( 5.125 -2.029 0.368) 5.524 7.810 ( 1.500 -5.143 -0.087) 5.358 7.944 ( 1.194 -0.037 0.046) 1.196 8.227 ( -1.873 3.579 0.436) 4.063 8.655 ( 1.661 -0.997 -0.146) 1.943 8.713 ( 0.785 1.117 -0.311) 1.400 8.917 ( -11.660 8.868 0.546) 14.659 9.001 ( -3.055 -3.372 -0.498) 4.577 9.252 ( -3.472 6.397 0.156) 7.280 9.696 ( 0.865 0.449 -0.199) 0.994 10.261 ( -10.912 12.206 0.605) 16.383 11.510 ( 4.916 -5.320 -0.648) 7.272 ======================= Grid point 144 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -9.432 4.353 0.935) 10.430 0.927 ( -5.223 5.552 -0.262) 7.627 1.454 ( -0.669 -0.253 -1.261) 1.450 1.653 ( -1.387 1.735 0.509) 2.279 1.748 ( -0.864 3.524 1.935) 4.112 1.775 ( 1.596 1.854 -1.491) 2.865 1.992 ( -4.085 0.281 1.246) 4.280 2.047 ( -7.039 -1.260 -1.850) 7.386 2.207 ( 14.170 -14.473 -0.295) 20.257 2.268 ( -4.778 5.345 -0.236) 7.173 2.459 ( -4.940 3.987 0.695) 6.386 2.837 ( 2.685 -4.494 -0.320) 5.245 2.845 ( 8.144 -14.168 0.054) 16.341 3.324 ( 9.640 2.250 0.011) 9.899 4.452 ( 8.094 -10.253 -0.037) 13.063 7.557 ( 1.564 -0.949 -0.020) 1.830 7.735 ( 1.936 -4.870 -0.096) 5.241 7.931 ( 0.575 0.018 0.037) 0.577 8.281 ( -0.075 4.180 0.192) 4.185 8.622 ( 1.000 -1.277 -0.169) 1.631 8.712 ( 0.621 1.637 -0.187) 1.761 9.002 ( -2.677 -4.399 -0.094) 5.151 9.182 ( -11.059 7.226 0.103) 13.211 9.357 ( -1.948 6.255 0.171) 6.553 9.665 ( 2.612 -1.218 -0.057) 2.883 10.549 ( -11.470 10.237 0.247) 15.376 11.365 ( 6.264 -5.805 -0.355) 8.547 ======================= Grid point 145 (62/171) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 1.365 3.510 -0.000) 3.766 1.130 ( -13.420 5.432 0.000) 14.478 1.463 ( -1.357 -0.257 0.000) 1.381 1.637 ( 0.550 -0.187 -0.000) 0.581 1.707 ( 7.545 -5.170 -0.000) 9.147 1.805 ( -0.161 1.573 0.000) 1.582 1.904 ( 6.842 -4.216 -0.000) 8.037 2.014 ( -1.333 -0.676 0.000) 1.494 2.225 ( -10.474 -0.329 0.000) 10.479 2.375 ( -9.511 -0.893 0.000) 9.553 2.551 ( 5.481 -10.973 -0.000) 12.266 2.663 ( -3.135 4.463 0.000) 5.454 2.770 ( 0.532 -3.938 -0.000) 3.974 3.167 ( 14.985 8.508 -0.000) 17.232 4.286 ( 0.781 -9.172 -0.000) 9.205 7.553 ( -1.960 -0.601 0.000) 2.050 7.661 ( 2.303 -3.864 -0.000) 4.499 7.924 ( 0.308 -0.118 -0.000) 0.329 8.306 ( 1.726 3.866 -0.000) 4.234 8.599 ( 0.303 -1.416 -0.000) 1.448 8.721 ( 0.316 2.103 -0.000) 2.127 8.998 ( -2.372 -4.910 0.000) 5.453 9.385 ( -6.734 4.486 0.000) 8.092 9.423 ( 0.737 5.421 -0.000) 5.471 9.594 ( 3.737 -2.120 -0.000) 4.297 10.774 ( -5.405 5.721 0.000) 7.870 11.228 ( 3.060 -4.259 -0.000) 5.245 ======================= Grid point 149 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 9.901 1.005 5.815) 11.527 0.747 ( 10.113 -2.286 5.890) 11.925 1.354 ( 16.096 -4.640 0.270) 16.753 1.631 ( 0.737 -0.413 0.889) 1.226 1.675 ( 3.480 1.457 -6.389) 7.419 1.749 ( -2.104 -0.454 5.301) 5.721 1.845 ( -0.739 -1.998 -2.741) 3.471 2.046 ( 2.875 -2.365 -0.657) 3.781 2.218 ( 4.949 1.198 -0.890) 5.170 2.423 ( -0.385 0.710 1.918) 2.081 2.616 ( -17.350 4.928 -0.149) 18.037 2.891 ( -5.335 -0.735 1.273) 5.533 3.152 ( -14.404 1.560 0.269) 14.490 3.366 ( -2.485 2.525 0.218) 3.549 4.656 ( -14.857 1.517 0.405) 14.940 7.580 ( -2.995 0.321 0.347) 3.032 7.794 ( -5.548 -0.506 0.526) 5.595 7.964 ( -0.919 1.757 2.108) 2.894 8.179 ( 4.115 -0.974 -0.344) 4.243 8.616 ( -1.314 -0.591 0.819) 1.657 8.735 ( 0.870 0.873 -1.544) 1.975 8.956 ( 13.618 -1.702 1.376) 13.792 9.014 ( -0.587 -2.729 2.212) 3.561 9.279 ( 7.399 1.356 -0.894) 7.575 9.690 ( -0.360 0.058 -0.562) 0.670 10.232 ( 16.464 -3.640 1.011) 16.892 11.531 ( -7.187 1.295 -1.362) 7.429 ======================= Grid point 150 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 8.008 0.000 6.027) 10.022 0.708 ( 2.452 0.000 8.968) 9.297 1.021 ( 21.433 0.000 2.291) 21.555 1.576 ( 2.578 -0.000 -6.118) 6.639 1.631 ( 0.293 0.000 1.611) 1.637 1.841 ( -1.330 -0.000 -3.020) 3.300 1.846 ( -4.715 0.000 3.710) 6.000 1.981 ( 2.945 0.000 0.177) 2.951 2.149 ( 2.691 -0.000 -3.672) 4.552 2.466 ( -1.770 0.000 2.502) 3.065 2.876 ( -12.681 -0.000 -0.429) 12.688 2.976 ( -4.455 -0.000 1.131) 4.596 3.358 ( -10.079 -0.000 0.240) 10.082 3.410 ( -1.813 -0.000 0.228) 1.828 4.888 ( -12.551 -0.000 0.340) 12.556 7.675 ( -8.598 -0.000 0.407) 8.608 7.870 ( -4.071 -0.000 0.154) 4.074 8.017 ( -1.378 0.000 2.758) 3.083 8.105 ( 3.582 0.000 -0.481) 3.614 8.644 ( -1.864 -0.000 0.716) 1.997 8.669 ( 11.125 0.000 1.806) 11.271 8.774 ( 4.840 0.000 -1.740) 5.143 9.027 ( -0.180 0.000 1.740) 1.750 9.162 ( 7.135 0.000 -0.922) 7.194 9.680 ( 0.756 -0.000 -0.638) 0.989 9.975 ( 14.325 0.000 1.165) 14.372 11.626 ( -5.324 -0.000 -1.016) 5.420 ======================= Grid point 152 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 0.000 3.697 3.575) 5.142 0.755 ( 0.000 14.829 5.226) 15.723 0.916 ( 0.000 0.191 2.450) 2.457 1.459 ( -0.000 -0.168 -2.619) 2.624 1.685 ( 0.000 1.843 3.355) 3.828 1.833 ( -0.000 2.374 -3.285) 4.053 1.936 ( 0.000 2.724 0.006) 2.724 1.990 ( -0.000 -0.365 -2.800) 2.824 2.042 ( 0.000 -0.871 0.803) 1.185 2.481 ( 0.000 -4.679 0.916) 4.767 2.980 ( -0.000 -8.943 0.176) 8.944 3.046 ( -0.000 -2.697 -0.430) 2.731 3.390 ( -0.000 -5.577 0.083) 5.578 3.500 ( -0.000 -1.986 0.099) 1.988 5.044 ( -0.000 -6.714 0.127) 6.715 7.882 ( -0.000 -9.625 0.585) 9.643 7.913 ( -0.000 -1.690 -0.211) 1.703 8.060 ( 0.000 -2.066 0.826) 2.225 8.060 ( 0.000 2.080 0.156) 2.086 8.427 ( 0.000 13.226 0.361) 13.231 8.711 ( -0.000 0.946 -0.329) 1.002 8.737 ( 0.000 -1.465 0.463) 1.536 8.992 ( -0.000 -1.932 -0.592) 2.021 9.068 ( 0.000 4.269 0.022) 4.269 9.673 ( 0.000 1.823 -0.202) 1.834 9.841 ( 0.000 9.791 0.910) 9.833 11.675 ( -0.000 -3.295 -0.435) 3.323 ======================= Grid point 153 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -5.167 4.136 1.694) 6.832 0.835 ( 2.722 -4.532 3.233) 6.197 1.076 ( -9.970 19.391 -0.794) 21.818 1.448 ( -0.701 -0.443 -1.444) 1.665 1.732 ( 0.238 2.536 3.351) 4.209 1.816 ( 1.626 1.901 -3.236) 4.091 1.965 ( 0.531 0.328 1.248) 1.395 1.994 ( -2.620 4.377 -0.940) 5.187 2.032 ( 0.203 -1.474 -0.792) 1.685 2.441 ( -0.216 -4.923 0.642) 4.969 2.826 ( 6.489 -12.916 -0.138) 14.455 3.000 ( 1.812 -3.687 -0.215) 4.114 3.291 ( 4.316 -9.124 0.053) 10.093 3.469 ( 1.323 -1.951 0.029) 2.357 4.918 ( 6.527 -8.926 0.035) 11.058 7.753 ( 6.525 -5.041 0.315) 8.252 7.876 ( 1.328 -4.176 -0.025) 4.383 7.975 ( 2.838 -0.464 0.069) 2.876 8.159 ( -3.939 1.919 0.288) 4.391 8.642 ( -9.803 11.131 0.759) 14.852 8.693 ( 1.819 -0.271 -0.275) 1.859 8.724 ( 0.515 -0.080 -0.457) 0.694 8.988 ( -2.130 -2.690 -0.214) 3.438 9.141 ( -3.160 5.624 0.028) 6.451 9.689 ( -0.024 1.651 -0.135) 1.656 10.007 ( -6.835 12.296 0.432) 14.074 11.613 ( 2.790 -4.519 -0.268) 5.317 ======================= Grid point 154 (67/171) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -0.829 -1.352 0.000) 1.586 0.786 ( -6.294 5.189 0.000) 8.157 1.428 ( -13.158 14.578 0.000) 19.638 1.445 ( -0.349 -0.475 0.000) 0.589 1.766 ( 1.094 2.785 -0.000) 2.992 1.771 ( 2.654 0.120 -0.000) 2.657 1.982 ( -1.250 -0.509 0.000) 1.349 1.992 ( 0.487 -0.910 -0.000) 1.032 2.116 ( -5.366 7.090 0.000) 8.891 2.418 ( -1.593 -3.062 0.000) 3.451 2.551 ( 11.410 -15.161 -0.000) 18.975 2.922 ( 3.027 -4.277 -0.000) 5.240 3.096 ( 7.415 -12.507 -0.000) 14.540 3.420 ( 3.851 -0.576 -0.000) 3.894 4.695 ( 9.972 -9.980 -0.000) 14.108 7.625 ( 5.316 -2.030 -0.000) 5.690 7.809 ( 1.396 -5.409 -0.000) 5.586 7.944 ( 1.168 -0.061 -0.000) 1.169 8.230 ( -1.869 3.490 0.000) 3.959 8.654 ( 1.673 -1.121 -0.000) 2.014 8.711 ( 0.924 0.919 -0.000) 1.303 8.921 ( -12.194 9.234 0.000) 15.296 8.997 ( -2.781 -3.742 0.000) 4.662 9.254 ( -3.586 6.342 0.000) 7.286 9.694 ( 0.850 0.508 -0.000) 0.990 10.266 ( -10.842 12.159 0.000) 16.291 11.505 ( 4.971 -5.322 -0.000) 7.282 ======================= Grid point 160 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 9.918 1.166 4.183) 10.827 0.996 ( 14.413 -2.967 2.253) 14.887 1.511 ( 3.050 -0.896 -1.274) 3.425 1.646 ( -0.441 -0.418 0.853) 1.047 1.669 ( 1.120 1.085 0.456) 1.625 1.725 ( -3.384 0.787 -0.712) 3.546 1.982 ( 9.698 -11.059 -1.107) 14.751 2.076 ( 0.242 -1.261 -1.601) 2.052 2.265 ( -18.871 7.452 -0.210) 20.290 2.322 ( 6.324 0.057 1.182) 6.433 2.465 ( 7.321 0.758 1.415) 7.494 2.828 ( -4.436 -0.925 0.786) 4.599 2.892 ( -17.213 0.849 0.264) 17.236 3.274 ( -2.841 9.032 0.161) 9.470 4.426 ( -13.135 -0.270 0.394) 13.144 7.566 ( 0.818 -0.205 -0.007) 0.843 7.714 ( -5.789 -0.476 0.809) 5.865 7.952 ( -0.537 1.453 1.384) 2.078 8.244 ( 3.793 0.348 -0.177) 3.813 8.613 ( -0.610 -0.592 0.740) 1.127 8.720 ( 0.430 1.245 -1.326) 1.869 9.034 ( -1.197 -2.597 2.223) 3.622 9.201 ( 11.694 -3.601 0.569) 12.249 9.363 ( 6.115 2.423 -0.749) 6.620 9.661 ( -2.548 0.952 -0.478) 2.762 10.532 ( 15.119 -4.863 0.911) 15.908 11.379 ( -8.538 2.146 -1.276) 8.896 ======================= Grid point 161 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 9.039 1.062 4.666) 10.228 0.828 ( 7.417 -0.551 4.332) 8.607 1.370 ( 14.909 -4.080 1.669) 15.547 1.575 ( 5.189 0.201 -6.109) 8.018 1.648 ( -0.169 -0.982 1.084) 1.473 1.789 ( -2.834 0.880 -1.620) 3.381 1.840 ( -0.345 -2.948 3.454) 4.554 2.033 ( 2.105 -1.480 -1.000) 2.760 2.192 ( 7.274 0.646 -1.892) 7.544 2.459 ( -0.594 0.938 2.276) 2.533 2.613 ( -17.242 4.802 -0.153) 17.899 2.907 ( -5.212 -0.208 0.741) 5.269 3.156 ( -14.368 1.595 0.214) 14.458 3.370 ( -2.495 2.570 0.242) 3.590 4.662 ( -14.767 1.619 0.323) 14.859 7.583 ( -3.215 0.357 0.058) 3.235 7.802 ( -5.287 -0.670 0.408) 5.345 7.997 ( -0.943 2.948 1.860) 3.611 8.176 ( 3.874 -1.629 -0.106) 4.204 8.627 ( -1.174 -0.400 0.585) 1.372 8.715 ( 0.046 0.627 -0.975) 1.161 8.971 ( 14.140 -2.120 0.619) 14.312 9.047 ( -0.314 -1.600 1.905) 2.508 9.266 ( 7.354 1.066 -0.760) 7.470 9.682 ( -0.318 -0.043 -0.518) 0.609 10.247 ( 16.392 -3.579 0.833) 16.799 11.512 ( -7.349 1.289 -1.063) 7.536 ======================= Grid point 162 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 7.507 0.000 3.472) 8.271 0.828 ( -0.195 0.000 6.030) 6.033 1.042 ( 21.191 0.000 0.295) 21.193 1.498 ( 1.226 -0.000 -3.579) 3.783 1.658 ( -0.419 0.000 1.725) 1.776 1.795 ( -0.897 -0.000 -2.673) 2.819 1.896 ( -2.503 0.000 2.455) 3.505 1.986 ( 2.171 0.000 0.480) 2.224 2.095 ( 3.227 -0.000 -2.931) 4.359 2.497 ( -1.379 0.000 1.375) 1.947 2.871 ( -12.522 -0.000 -0.266) 12.525 2.989 ( -4.380 -0.000 0.540) 4.414 3.361 ( -10.068 -0.000 0.145) 10.070 3.413 ( -1.744 -0.000 0.157) 1.752 4.892 ( -12.509 -0.000 0.208) 12.511 7.679 ( -8.697 -0.000 0.106) 8.697 7.872 ( -3.822 -0.000 0.097) 3.823 8.054 ( -1.484 0.000 1.800) 2.333 8.099 ( 3.585 0.000 -0.252) 3.594 8.652 ( -1.856 -0.000 0.384) 1.895 8.696 ( 9.315 0.000 1.627) 9.456 8.747 ( 6.281 0.000 -1.718) 6.512 9.050 ( 0.662 0.000 1.085) 1.271 9.150 ( 7.050 0.000 -0.579) 7.073 9.672 ( 0.707 0.000 -0.384) 0.804 9.991 ( 14.126 0.000 0.713) 14.144 11.613 ( -5.566 -0.000 -0.607) 5.599 ======================= Grid point 164 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 3.378 0.000) 3.378 0.798 ( 0.000 19.120 0.000) 19.120 0.933 ( -0.000 -5.703 0.000) 5.703 1.437 ( -0.000 -0.091 0.000) 0.091 1.722 ( 0.000 2.870 0.000) 2.870 1.795 ( 0.000 1.809 0.000) 1.809 1.936 ( 0.000 2.737 0.000) 2.737 1.969 ( -0.000 -0.225 0.000) 0.225 2.048 ( -0.000 -0.885 0.000) 0.885 2.488 ( -0.000 -4.503 0.000) 4.503 2.981 ( -0.000 -9.189 -0.000) 9.189 3.043 ( -0.000 -2.733 0.000) 2.733 3.391 ( -0.000 -5.575 0.000) 5.575 3.501 ( -0.000 -2.022 0.000) 2.022 5.045 ( -0.000 -6.761 0.000) 6.761 7.887 ( -0.000 -9.511 0.000) 9.511 7.911 ( -0.000 -1.725 0.000) 1.725 8.060 ( 0.000 3.508 0.000) 3.508 8.069 ( -0.000 -3.584 0.000) 3.584 8.430 ( 0.000 13.525 0.000) 13.525 8.709 ( 0.000 0.320 0.000) 0.320 8.741 ( -0.000 -1.495 0.000) 1.495 8.988 ( -0.000 -1.932 0.000) 1.932 9.068 ( 0.000 4.281 0.000) 4.281 9.671 ( 0.000 1.733 0.000) 1.733 9.849 ( 0.000 9.840 0.000) 9.840 11.672 ( -0.000 -3.311 0.000) 3.311 ======================= Grid point 171 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 4.969 4.377 2.186) 6.974 1.260 ( 12.655 -2.084 0.127) 12.826 1.522 ( 0.511 1.179 -1.152) 1.726 1.635 ( -1.431 0.914 0.922) 1.932 1.666 ( -2.454 0.329 0.383) 2.506 1.711 ( 1.398 -1.995 3.110) 3.950 1.920 ( -12.159 5.725 -1.097) 13.484 2.068 ( -0.573 -1.206 -2.108) 2.495 2.214 ( 6.310 -9.317 -1.593) 11.365 2.403 ( 1.659 -5.542 2.343) 6.242 2.609 ( -15.314 0.014 0.226) 15.316 2.651 ( 7.735 0.626 0.440) 7.773 2.791 ( -1.959 -1.539 0.140) 2.495 3.134 ( 2.352 16.109 0.202) 16.281 4.286 ( -7.389 -4.778 0.297) 8.804 7.601 ( 2.878 -0.654 -0.171) 2.957 7.640 ( -4.691 -0.435 0.797) 4.778 7.942 ( -0.411 0.942 0.720) 1.255 8.284 ( 2.835 2.121 -0.134) 3.543 8.617 ( 0.005 -0.337 0.538) 0.635 8.711 ( 0.908 1.067 -0.788) 1.607 9.050 ( -1.619 -2.310 1.676) 3.281 9.383 ( 6.349 -1.647 0.222) 6.563 9.411 ( 4.101 2.631 -0.653) 4.916 9.586 ( -4.221 1.586 -0.445) 4.531 10.772 ( 8.486 -1.879 0.513) 8.707 11.231 ( -5.816 0.487 -0.596) 5.867 ======================= Grid point 172 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 9.162 1.863 3.084) 9.845 1.021 ( 13.359 -1.201 0.893) 13.443 1.489 ( 1.996 0.144 -1.259) 2.364 1.658 ( -0.788 -1.271 0.634) 1.624 1.675 ( 4.820 -0.084 0.046) 4.821 1.722 ( -2.519 0.243 0.187) 2.538 1.974 ( 7.239 -10.643 0.092) 12.872 2.046 ( 0.168 -0.872 -1.943) 2.136 2.262 ( -19.238 7.765 -0.171) 20.747 2.331 ( 9.096 -0.048 0.130) 9.097 2.492 ( 5.676 0.607 1.608) 5.931 2.836 ( -4.415 -0.426 0.274) 4.444 2.896 ( -17.179 0.923 0.157) 17.204 3.277 ( -2.869 9.107 0.175) 9.550 4.431 ( -13.048 -0.107 0.241) 13.051 7.564 ( 0.822 -0.017 -0.123) 0.831 7.724 ( -5.691 -0.656 0.489) 5.749 7.971 ( -0.547 2.414 0.968) 2.658 8.242 ( 3.581 0.041 -0.022) 3.581 8.622 ( -0.481 -0.337 0.417) 0.720 8.703 ( 0.329 0.766 -0.808) 1.161 9.065 ( -0.846 -1.621 1.471) 2.347 9.208 ( 11.469 -3.574 0.269) 12.016 9.353 ( 6.016 2.128 -0.494) 6.400 9.654 ( -2.593 0.801 -0.363) 2.738 10.544 ( 15.111 -4.788 0.569) 15.862 11.363 ( -8.442 2.058 -0.777) 8.724 ======================= Grid point 173 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 9.068 0.573 1.821) 9.267 0.875 ( 5.310 0.854 1.574) 5.604 1.405 ( 17.014 -4.032 2.534) 17.668 1.490 ( 3.552 -0.004 -4.214) 5.511 1.663 ( -1.104 -1.590 0.676) 2.050 1.761 ( -1.353 0.840 -1.225) 2.009 1.889 ( -1.810 -3.256 1.972) 4.215 2.018 ( 1.413 -0.182 -0.744) 1.607 2.170 ( 8.868 0.227 -0.809) 8.908 2.485 ( -0.375 0.945 0.891) 1.351 2.611 ( -17.166 4.758 -0.063) 17.814 2.915 ( -5.163 0.116 0.222) 5.169 3.158 ( -14.347 1.616 0.081) 14.438 3.373 ( -2.477 2.593 0.108) 3.588 4.666 ( -14.712 1.680 0.122) 14.808 7.583 ( -3.358 0.344 -0.019) 3.376 7.806 ( -5.121 -0.740 0.153) 5.176 8.018 ( -0.816 3.815 0.725) 3.968 8.175 ( 3.629 -2.148 0.013) 4.217 8.633 ( -1.082 -0.289 0.208) 1.139 8.705 ( -0.487 0.530 -0.338) 0.795 8.977 ( 14.418 -2.351 0.162) 14.609 9.069 ( 0.032 -0.937 0.746) 1.198 9.257 ( 7.284 0.829 -0.297) 7.337 9.675 ( -0.326 -0.110 -0.215) 0.406 10.256 ( 16.348 -3.546 0.321) 16.731 11.500 ( -7.458 1.285 -0.399) 7.579 ======================= Grid point 174 (75/171) ======================= q-point: (-0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 7.377 0.000 0.000) 7.377 0.880 ( -3.050 -0.000 0.000) 3.050 1.040 ( 23.310 0.000 0.000) 23.310 1.470 ( 0.516 0.000 0.000) 0.516 1.675 ( -0.964 -0.000 0.000) 0.964 1.770 ( -0.469 -0.000 0.000) 0.469 1.916 ( -1.299 -0.000 0.000) 1.299 1.992 ( 1.432 0.000 0.000) 1.432 2.069 ( 3.427 0.000 -0.000) 3.427 2.508 ( -1.165 -0.000 0.000) 1.165 2.868 ( -12.461 -0.000 0.000) 12.461 2.993 ( -4.355 -0.000 -0.000) 4.355 3.362 ( -10.064 -0.000 0.000) 10.064 3.414 ( -1.712 -0.000 0.000) 1.712 4.894 ( -12.494 -0.000 0.000) 12.494 7.680 ( -8.730 -0.000 0.000) 8.730 7.872 ( -3.726 -0.000 0.000) 3.726 8.069 ( -1.511 -0.000 0.000) 1.511 8.097 ( 3.587 0.000 0.000) 3.587 8.655 ( -1.847 -0.000 0.000) 1.847 8.720 ( 16.742 0.000 -0.000) 16.742 8.721 ( -1.288 -0.000 0.000) 1.288 9.059 ( 0.991 0.000 0.000) 0.991 9.145 ( 7.015 0.000 0.000) 7.015 9.669 ( 0.663 0.000 0.000) 0.663 9.996 ( 14.059 0.000 0.000) 14.059 11.609 ( -5.654 -0.000 0.000) 5.654 ======================= Grid point 182 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -2.909 8.797 0.263) 9.269 1.260 ( -11.363 9.771 1.331) 15.045 1.503 ( 2.567 0.382 -1.918) 3.227 1.616 ( -0.366 -0.028 0.385) 0.532 1.641 ( 0.255 -0.325 0.880) 0.972 1.807 ( 3.333 -0.892 1.990) 3.983 1.919 ( 10.502 -8.232 0.124) 13.344 2.055 ( -0.088 -1.348 -2.158) 2.546 2.273 ( -9.093 2.187 0.919) 9.398 2.352 ( -9.071 -5.210 -0.264) 10.464 2.592 ( 6.595 -12.421 0.654) 14.079 2.612 ( -5.610 11.219 -0.072) 12.543 2.797 ( 0.750 -2.218 -0.212) 2.351 3.174 ( 14.999 8.387 0.266) 17.187 4.297 ( 0.877 -8.388 0.156) 8.435 7.582 ( -3.011 -0.329 0.351) 3.049 7.669 ( 4.011 -1.128 -0.020) 4.167 7.933 ( -0.243 0.589 0.240) 0.681 8.290 ( 1.365 3.517 -0.111) 3.775 8.627 ( 0.565 -0.043 0.279) 0.631 8.717 ( 1.551 0.990 -0.220) 1.854 9.052 ( -2.021 -2.011 1.032) 3.032 9.364 ( -8.075 4.770 -0.509) 9.392 9.398 ( 0.870 4.950 -0.203) 5.030 9.591 ( 3.892 -2.785 -0.139) 4.788 10.754 ( -6.949 6.913 -0.306) 9.807 11.260 ( 5.356 -5.719 0.471) 7.850 ======================= Grid point 183 (77/171) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 4.015 5.440 0.941) 6.826 1.259 ( 12.785 -1.232 -0.105) 12.844 1.505 ( 1.609 1.092 -0.665) 2.055 1.646 ( -0.897 1.513 0.389) 1.801 1.665 ( -1.759 -1.705 -0.083) 2.451 1.766 ( 1.522 -1.556 2.760) 3.515 1.901 ( -13.374 5.968 -1.161) 14.691 2.039 ( -0.351 -0.199 -1.192) 1.258 2.197 ( 6.331 -10.571 -0.590) 12.336 2.428 ( 2.124 -4.787 0.801) 5.298 2.612 ( -15.907 0.045 0.093) 15.907 2.657 ( 7.812 0.825 0.308) 7.861 2.791 ( -2.157 -1.191 -0.081) 2.465 3.137 ( 2.457 16.031 0.130) 16.219 4.289 ( -7.341 -4.621 0.113) 8.675 7.598 ( 3.000 -0.417 -0.102) 3.030 7.649 ( -4.695 -0.459 0.300) 4.727 7.950 ( -0.451 1.490 0.313) 1.588 8.283 ( 2.718 1.999 -0.026) 3.374 8.623 ( 0.090 -0.073 0.185) 0.218 8.702 ( 0.977 0.658 -0.315) 1.219 9.070 ( -1.387 -1.520 0.688) 2.170 9.388 ( 6.379 -2.147 0.276) 6.736 9.402 ( 3.814 2.941 -0.446) 4.837 9.580 ( -4.294 1.436 -0.207) 4.533 10.777 ( 8.130 -1.593 0.187) 8.287 11.225 ( -5.281 0.147 -0.216) 5.288 ======================= Grid point 184 (78/171) ======================= q-point: (-0.60 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 8.533 1.975 -0.000) 8.759 1.026 ( 13.296 -0.404 -0.000) 13.302 1.478 ( 1.481 0.617 -0.000) 1.604 1.664 ( -1.504 -2.505 0.000) 2.921 1.673 ( 4.912 0.664 -0.000) 4.957 1.725 ( 0.687 -0.686 -0.000) 0.971 1.978 ( 5.195 -11.101 -0.000) 12.256 2.027 ( 0.425 0.246 -0.000) 0.491 2.260 ( -19.370 7.896 0.000) 20.918 2.331 ( 9.962 -0.120 -0.000) 9.962 2.506 ( 5.231 0.536 -0.000) 5.259 2.838 ( -4.420 -0.218 0.000) 4.426 2.897 ( -17.170 0.953 0.000) 17.197 3.279 ( -2.870 9.125 0.000) 9.566 4.433 ( -13.015 -0.046 0.000) 13.015 7.563 ( 0.808 0.031 -0.000) 0.809 7.728 ( -5.649 -0.723 0.000) 5.695 7.979 ( -0.519 2.821 0.000) 2.869 8.242 ( 3.483 -0.085 -0.000) 3.484 8.625 ( -0.432 -0.234 0.000) 0.491 8.696 ( 0.271 0.598 -0.000) 0.656 9.077 ( -0.705 -1.247 0.000) 1.432 9.210 ( 11.443 -3.564 -0.000) 11.985 9.349 ( 5.951 1.987 -0.000) 6.274 9.651 ( -2.621 0.739 0.000) 2.723 10.549 ( 15.106 -4.758 -0.000) 15.838 11.357 ( -8.408 2.023 0.000) 8.648 ======================= Grid point 193 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -7.108 10.339 -0.155) 12.548 0.938 ( -13.535 13.497 0.004) 19.114 1.535 ( 2.112 -0.224 -0.579) 2.202 1.619 ( 0.709 -0.482 -0.394) 0.944 1.660 ( -0.903 0.195 0.812) 1.230 1.848 ( -1.656 6.315 0.315) 6.536 2.003 ( -9.273 0.232 1.896) 9.468 2.039 ( -3.854 -2.542 -2.557) 5.277 2.246 ( 14.061 -12.095 0.344) 18.550 2.309 ( -3.854 4.752 0.344) 6.128 2.439 ( -1.497 5.727 0.330) 5.929 2.841 ( 7.978 -13.842 0.087) 15.977 2.853 ( 3.432 -2.940 -0.176) 4.522 3.329 ( 9.558 2.747 0.066) 9.945 4.458 ( 8.153 -9.536 0.045) 12.546 7.559 ( -0.267 -0.441 0.010) 0.516 7.744 ( 3.723 -1.805 0.019) 4.137 7.929 ( 0.359 0.425 0.012) 0.556 8.261 ( -0.370 4.178 -0.071) 4.195 8.640 ( 0.977 0.090 0.068) 0.983 8.738 ( 2.450 1.187 0.150) 2.726 9.041 ( -2.552 -1.966 0.640) 3.284 9.134 ( -12.322 7.784 -0.758) 14.594 9.340 ( -1.355 6.058 -0.047) 6.208 9.669 ( 2.817 -1.834 -0.006) 3.361 10.512 ( -11.657 10.643 -0.236) 15.786 11.422 ( 6.388 -6.286 0.393) 8.971 ======================= Grid point 194 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -3.188 9.238 0.000) 9.773 1.271 ( -10.975 10.197 0.000) 14.981 1.487 ( 2.210 0.524 -0.000) 2.272 1.618 ( -1.022 0.289 0.000) 1.062 1.650 ( 1.277 -0.395 -0.000) 1.336 1.826 ( 2.687 -1.258 -0.000) 2.967 1.920 ( 10.692 -8.462 -0.000) 13.635 2.035 ( 0.318 -0.869 -0.000) 0.925 2.280 ( -9.208 2.200 0.000) 9.467 2.350 ( -8.575 -5.771 0.000) 10.336 2.596 ( 6.208 -11.878 -0.000) 13.402 2.613 ( -5.393 11.306 0.000) 12.526 2.795 ( 0.829 -2.122 -0.000) 2.278 3.177 ( 14.900 8.358 -0.000) 17.085 4.299 ( 0.891 -8.304 -0.000) 8.351 7.584 ( -3.100 -0.320 0.000) 3.116 7.668 ( 4.164 -0.897 -0.000) 4.260 7.935 ( -0.281 0.775 0.000) 0.824 8.289 ( 1.321 3.478 -0.000) 3.720 8.629 ( 0.602 0.112 -0.000) 0.612 8.715 ( 1.656 0.797 -0.000) 1.838 9.061 ( -1.895 -1.624 0.000) 2.496 9.360 ( -8.289 4.831 0.000) 9.594 9.396 ( 0.843 4.861 -0.000) 4.934 9.590 ( 3.934 -2.880 -0.000) 4.876 10.751 ( -7.074 7.016 0.000) 9.963 11.264 ( 5.565 -5.856 -0.000) 8.078 ======================= Grid point 203 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -7.934 10.317 0.000) 13.016 0.625 ( -9.362 14.248 0.000) 17.049 1.442 ( -15.218 19.190 0.000) 24.491 1.556 ( -0.037 -0.934 -0.000) 0.934 1.656 ( 3.670 -0.572 -0.000) 3.714 1.725 ( -3.415 -1.671 0.000) 3.802 2.005 ( -0.122 -1.568 0.000) 1.573 2.011 ( -1.955 -1.075 0.000) 2.231 2.210 ( 0.412 5.175 -0.000) 5.192 2.424 ( 0.398 0.096 -0.000) 0.410 2.567 ( 10.951 -12.900 -0.000) 16.921 2.939 ( 4.326 -2.595 -0.000) 5.044 3.088 ( 7.401 -12.322 -0.000) 14.374 3.419 ( 3.948 0.045 -0.000) 3.948 4.696 ( 10.024 -9.278 -0.000) 13.659 7.588 ( 3.057 -1.421 -0.000) 3.371 7.814 ( 2.544 -2.574 -0.000) 3.619 7.938 ( 1.248 0.344 -0.000) 1.295 8.203 ( -1.992 3.994 0.000) 4.463 8.657 ( 1.176 -0.011 -0.000) 1.176 8.774 ( 3.460 1.374 -0.000) 3.722 8.837 ( -13.514 10.711 0.000) 17.244 9.024 ( -2.642 -2.439 0.000) 3.596 9.251 ( -2.358 6.538 0.000) 6.950 9.709 ( 1.161 -0.208 -0.000) 1.179 10.216 ( -11.636 12.577 0.000) 17.134 11.564 ( 4.485 -5.386 -0.000) 7.009 ======================= Grid point 213 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -0.000 10.994 0.000) 10.994 0.493 ( -0.000 16.086 0.000) 16.086 1.167 ( -0.000 30.248 0.000) 30.248 1.547 ( 0.000 -0.746 -0.000) 0.746 1.627 ( 0.000 -2.581 -0.000) 2.581 1.756 ( 0.000 -2.169 -0.000) 2.169 1.948 ( 0.000 -0.325 -0.000) 0.325 2.006 ( -0.000 5.111 0.000) 5.111 2.275 ( 0.000 -3.466 -0.000) 3.466 2.429 ( 0.000 -0.322 -0.000) 0.322 2.739 ( 0.000 -13.577 -0.000) 13.577 3.020 ( 0.000 -3.854 -0.000) 3.854 3.236 ( 0.000 -10.079 -0.000) 10.079 3.441 ( 0.000 -4.233 -0.000) 4.233 4.880 ( 0.000 -9.973 -0.000) 9.973 7.680 ( 0.000 -3.898 -0.000) 3.898 7.912 ( 0.000 -0.459 -0.000) 0.459 7.914 ( 0.000 -3.472 -0.000) 3.472 8.132 ( -0.000 3.559 0.000) 3.559 8.593 ( -0.000 16.649 0.000) 16.649 8.678 ( 0.000 -1.098 -0.000) 1.098 8.843 ( -0.000 0.777 0.000) 0.777 9.024 ( 0.000 -0.616 -0.000) 0.616 9.162 ( -0.000 5.756 0.000) 5.756 9.726 ( -0.000 0.869 0.000) 0.869 10.012 ( -0.000 16.117 0.000) 16.117 11.634 ( 0.000 -5.551 -0.000) 5.551 ======================= Grid point 214 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -5.841 10.435 0.876) 11.991 0.676 ( -3.318 16.680 0.675) 17.020 1.483 ( -5.364 23.891 -0.633) 24.494 1.551 ( -0.763 1.040 1.579) 2.039 1.627 ( -3.820 -3.417 -1.265) 5.279 1.711 ( 3.347 -1.827 1.816) 4.223 1.969 ( -2.217 -0.822 0.631) 2.448 2.040 ( 2.504 3.780 -0.215) 4.539 2.237 ( -0.381 0.458 -1.208) 1.347 2.420 ( -0.059 -0.292 -1.680) 1.706 2.564 ( 5.089 -15.304 0.547) 16.137 2.961 ( 2.498 -3.988 -0.237) 4.712 3.081 ( 6.164 -12.622 0.038) 14.047 3.415 ( -1.751 -4.175 -0.065) 4.528 4.734 ( 6.325 -10.575 -0.054) 12.322 7.626 ( 3.111 -1.845 0.391) 3.638 7.832 ( 3.160 -2.201 -0.155) 3.854 7.940 ( -1.009 -1.066 0.000) 1.468 8.197 ( -3.420 3.680 0.048) 5.024 8.665 ( 0.587 -0.803 0.124) 1.003 8.790 ( -5.441 12.803 -1.189) 13.962 8.848 ( 0.767 3.433 1.011) 3.660 8.986 ( 1.524 -0.981 -0.264) 1.832 9.260 ( -4.043 5.757 -0.116) 7.036 9.724 ( 0.827 -0.105 -0.061) 0.836 10.213 ( -5.673 16.057 0.347) 17.033 11.559 ( 2.179 -6.710 -0.362) 7.065 ======================= Grid point 215 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -7.757 10.663 0.656) 13.203 0.908 ( -7.053 15.619 -0.713) 17.153 1.552 ( -0.370 0.462 0.576) 0.825 1.626 ( -2.031 -1.765 -1.818) 3.247 1.655 ( 2.768 -1.145 1.872) 3.532 1.816 ( -8.729 13.387 0.723) 15.998 1.963 ( 5.405 -0.254 -1.509) 5.617 2.006 ( -1.578 -2.340 1.544) 3.217 2.290 ( 5.504 -10.678 -1.647) 12.125 2.303 ( 0.025 0.387 -0.747) 0.841 2.456 ( -2.375 5.018 -0.486) 5.573 2.835 ( 8.360 -14.676 0.013) 16.890 2.873 ( 3.427 -4.068 -0.274) 5.327 3.412 ( -0.747 -0.876 -0.182) 1.165 4.500 ( 9.906 -11.373 -0.140) 15.083 7.571 ( 2.421 -0.843 0.322) 2.583 7.768 ( 2.352 -2.014 -0.672) 3.169 7.936 ( 0.235 -0.418 -0.069) 0.485 8.286 ( -2.523 4.400 0.159) 5.075 8.648 ( 0.732 -0.633 -0.077) 0.971 8.805 ( 3.390 2.613 -1.120) 4.424 8.970 ( -2.138 -1.720 -1.075) 2.947 9.054 ( -8.803 9.974 1.447) 13.382 9.371 ( -2.955 6.073 -0.066) 6.754 9.693 ( 2.169 -1.601 -0.001) 2.696 10.468 ( -8.313 13.778 0.450) 16.098 11.438 ( 4.293 -7.585 -0.675) 8.742 ======================= Grid point 216 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -5.849 10.668 -0.169) 12.167 1.167 ( -10.336 13.052 -2.697) 16.866 1.565 ( 1.242 0.730 1.916) 2.397 1.608 ( 0.314 -1.224 -1.451) 1.924 1.627 ( 0.581 -1.384 0.458) 1.569 1.850 ( 5.122 -1.646 -1.472) 5.578 1.981 ( 6.112 -9.475 0.088) 11.276 2.035 ( -2.834 -3.370 -0.534) 4.436 2.077 ( -6.593 3.273 0.673) 7.392 2.311 ( 0.673 -1.016 -0.992) 1.571 2.571 ( 6.891 -13.358 -0.593) 15.042 2.626 ( -5.578 10.730 -0.153) 12.094 2.789 ( 1.991 -3.663 -0.214) 4.174 3.414 ( 3.965 7.083 -0.292) 8.122 4.241 ( 6.960 -13.401 -0.275) 15.103 7.547 ( -0.226 -0.694 -0.085) 0.735 7.705 ( 2.745 -1.709 -0.993) 3.383 7.931 ( -0.033 0.032 -0.259) 0.263 8.348 ( 0.203 4.441 0.240) 4.452 8.629 ( 0.662 -0.544 -0.468) 0.976 8.770 ( 2.965 2.208 -0.118) 3.699 8.977 ( -2.754 -2.726 -1.805) 4.275 9.286 ( -8.867 6.961 0.945) 11.312 9.456 ( -0.786 5.528 0.201) 5.587 9.627 ( 3.659 -2.883 0.154) 4.661 10.717 ( -7.989 10.668 0.471) 13.336 11.279 ( 5.623 -7.971 -0.804) 9.788 ======================= Grid point 217 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 2.370 7.273 -1.921) 7.887 1.368 ( -1.187 5.794 -3.057) 6.657 1.537 ( 1.766 0.093 0.154) 1.775 1.596 ( -1.752 -1.028 -2.123) 2.938 1.634 ( -2.399 0.652 0.635) 2.566 1.719 ( 5.300 -4.022 -1.373) 6.793 1.853 ( -1.480 -0.294 1.862) 2.397 2.036 ( -1.557 -3.837 0.487) 4.170 2.239 ( 2.468 -7.483 2.650) 8.314 2.290 ( -8.461 2.086 -2.219) 8.993 2.403 ( -2.915 -5.153 -1.746) 6.172 2.720 ( -0.247 -0.753 -0.882) 1.186 2.773 ( 0.561 1.904 0.065) 1.986 3.406 ( 10.387 15.637 -0.202) 18.773 4.090 ( -5.609 -12.980 -0.501) 14.149 7.564 ( -2.944 -0.596 -0.503) 3.045 7.639 ( 2.824 -1.257 -0.980) 3.242 7.932 ( -0.389 0.200 -0.675) 0.804 8.362 ( 2.845 3.259 0.334) 4.339 8.611 ( 0.405 -0.453 -0.834) 1.032 8.753 ( 1.884 1.761 0.860) 2.718 8.975 ( -2.443 -2.744 -2.569) 4.483 9.440 ( -0.778 2.516 0.305) 2.651 9.496 ( 1.396 4.095 0.551) 4.361 9.550 ( 0.476 -1.790 0.487) 1.915 10.869 ( 2.098 4.954 -0.172) 5.382 11.153 ( -1.565 -4.851 0.026) 5.097 ======================= Grid point 218 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 9.778 2.018 -4.036) 10.769 1.195 ( 15.633 -2.086 -2.451) 15.961 1.537 ( -0.142 0.381 -1.916) 1.958 1.624 ( -2.216 0.044 -1.108) 2.478 1.665 ( 0.537 -0.441 1.202) 1.389 1.716 ( -3.674 3.522 1.310) 5.255 1.982 ( 1.516 -6.689 0.700) 6.894 2.036 ( -14.663 1.885 0.859) 14.808 2.122 ( 4.593 -1.831 1.638) 5.209 2.321 ( -1.216 -0.187 -3.022) 3.263 2.600 ( -18.207 -0.210 -0.398) 18.213 2.652 ( 11.111 0.098 -0.166) 11.112 2.747 ( -2.313 -1.382 -1.215) 2.956 3.382 ( 6.476 8.605 -0.074) 10.769 4.179 ( -14.914 -4.375 -0.623) 15.555 7.584 ( 2.030 -0.607 -0.778) 2.257 7.617 ( -4.938 -0.326 -0.702) 4.998 7.935 ( -0.660 0.193 -1.216) 1.397 8.327 ( 4.638 1.381 0.467) 4.862 8.596 ( -0.007 -0.330 -1.050) 1.101 8.755 ( 1.010 1.238 1.670) 2.311 8.964 ( -1.953 -2.078 -3.069) 4.190 9.342 ( 9.414 -1.397 -0.223) 9.520 9.479 ( 4.717 2.047 0.746) 5.196 9.619 ( -4.494 0.816 0.565) 4.603 10.723 ( 13.611 -1.397 -0.983) 13.717 11.259 ( -9.620 0.540 1.178) 9.706 ======================= Grid point 219 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 11.197 0.000 -4.839) 12.198 0.903 ( 16.147 0.000 -3.936) 16.620 1.507 ( 4.062 0.000 0.385) 4.080 1.632 ( 0.115 -0.000 -0.534) 0.547 1.677 ( -0.739 -0.000 -0.093) 0.745 1.810 ( -3.288 0.000 1.910) 3.802 1.843 ( 8.777 0.000 1.629) 8.927 2.080 ( 1.927 0.000 0.041) 1.927 2.295 ( 2.965 -0.000 -2.400) 3.814 2.342 ( -19.733 -0.000 0.090) 19.733 2.466 ( 8.652 0.000 0.509) 8.667 2.792 ( -4.990 -0.000 -1.650) 5.256 2.892 ( -18.457 -0.000 -0.328) 18.460 3.365 ( 0.640 0.000 -0.104) 0.648 4.410 ( -16.312 -0.000 -0.529) 16.320 7.557 ( 0.155 -0.000 -0.586) 0.606 7.697 ( -5.868 -0.000 -0.623) 5.901 7.938 ( -0.923 -0.000 -1.642) 1.884 8.257 ( 5.203 0.000 0.575) 5.235 8.591 ( -0.618 -0.000 -1.027) 1.198 8.765 ( 0.530 0.000 2.061) 2.128 8.957 ( -1.613 -0.000 -2.935) 3.349 9.154 ( 12.891 0.000 -0.898) 12.923 9.405 ( 6.577 0.000 0.801) 6.626 9.678 ( -2.066 -0.000 0.460) 2.117 10.468 ( 16.278 0.000 -0.950) 16.306 11.421 ( -8.970 -0.000 1.356) 9.071 ======================= Grid point 224 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 10.239 2.694) 10.588 0.526 ( 0.000 13.594 3.956) 14.158 1.179 ( 0.000 29.094 1.402) 29.128 1.559 ( 0.000 -0.529 1.576) 1.663 1.608 ( -0.000 -2.276 -2.367) 3.284 1.787 ( 0.000 -2.472 3.529) 4.308 1.958 ( 0.000 -0.599 1.176) 1.320 2.006 ( 0.000 5.206 0.092) 5.206 2.243 ( -0.000 -2.882 -3.989) 4.921 2.411 ( -0.000 -0.799 -1.949) 2.106 2.745 ( -0.000 -13.668 0.638) 13.683 3.015 ( -0.000 -3.915 -0.535) 3.951 3.237 ( -0.000 -10.075 0.092) 10.076 3.441 ( -0.000 -4.315 -0.049) 4.315 4.880 ( -0.000 -10.035 -0.042) 10.035 7.689 ( 0.000 -4.284 1.029) 4.406 7.909 ( -0.000 -0.491 -0.298) 0.575 7.920 ( 0.000 -3.833 0.727) 3.901 8.132 ( 0.000 3.571 -0.053) 3.571 8.602 ( 0.000 15.445 1.055) 15.481 8.682 ( 0.000 -1.126 0.422) 1.203 8.834 ( -0.000 1.525 -1.089) 1.874 9.016 ( -0.000 -0.583 -1.009) 1.165 9.162 ( 0.000 5.757 0.034) 5.757 9.724 ( -0.000 0.975 -0.246) 1.005 10.019 ( 0.000 15.973 0.888) 15.998 11.629 ( -0.000 -5.548 -0.656) 5.586 ======================= Grid point 225 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -5.250 9.641 2.411) 11.239 0.696 ( -2.723 13.627 1.828) 14.016 1.471 ( -4.140 19.019 -0.775) 19.480 1.586 ( -2.593 2.869 0.315) 3.880 1.595 ( -2.042 -1.070 -0.307) 2.325 1.763 ( 3.407 -1.465 4.413) 5.765 1.984 ( -1.681 -0.584 1.107) 2.096 2.032 ( 2.650 2.509 -0.816) 3.739 2.202 ( -2.036 1.824 -3.011) 4.066 2.380 ( 0.005 -1.944 -2.923) 3.510 2.573 ( 5.055 -14.531 0.381) 15.390 2.954 ( 2.239 -4.171 -0.661) 4.780 3.082 ( 6.191 -12.639 0.104) 14.074 3.413 ( -1.802 -4.358 -0.167) 4.719 4.732 ( 6.318 -10.661 -0.123) 12.393 7.637 ( 3.256 -2.131 0.908) 3.995 7.828 ( 3.476 -2.574 -0.384) 4.342 7.940 ( -1.042 -1.353 0.008) 1.707 8.198 ( -3.585 3.630 0.155) 5.104 8.668 ( 0.843 -0.859 0.282) 1.236 8.766 ( -3.067 7.597 -1.622) 8.352 8.867 ( -1.943 7.876 1.039) 8.179 8.979 ( 1.092 -1.152 -0.693) 1.733 9.257 ( -3.940 5.881 -0.228) 7.082 9.722 ( 0.781 0.018 -0.191) 0.804 10.223 ( -5.541 15.864 0.908) 16.829 11.548 ( 2.225 -6.668 -0.899) 7.086 ======================= Grid point 226 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -6.667 10.244 1.102) 12.272 0.894 ( -6.662 12.686 -0.897) 14.357 1.551 ( -1.134 0.871 -1.587) 2.136 1.601 ( -1.653 -1.391 -0.382) 2.194 1.693 ( 2.602 1.117 2.759) 3.954 1.834 ( -6.636 9.986 1.601) 12.096 1.933 ( 5.589 -0.010 -2.435) 6.096 2.029 ( -2.258 -2.671 1.139) 3.678 2.261 ( 4.881 -11.681 -1.794) 12.786 2.287 ( -0.953 1.888 -1.209) 2.437 2.445 ( -1.969 4.391 -0.866) 4.890 2.836 ( 8.400 -14.686 0.058) 16.918 2.866 ( 3.093 -4.354 -0.624) 5.377 3.408 ( -0.814 -1.111 -0.278) 1.405 4.497 ( 9.934 -11.438 -0.205) 15.151 7.577 ( 2.902 -0.936 0.476) 3.086 7.754 ( 2.220 -2.754 -1.085) 3.701 7.935 ( 0.172 -0.615 -0.076) 0.644 8.290 ( -2.567 4.354 0.322) 5.065 8.646 ( 1.050 -0.743 -0.227) 1.306 8.782 ( 1.805 2.517 -1.657) 3.512 8.954 ( -1.492 -2.168 -0.892) 2.779 9.076 ( -8.509 9.636 1.275) 12.918 9.370 ( -3.218 6.084 -0.040) 6.883 9.693 ( 2.069 -1.483 -0.054) 2.546 10.477 ( -8.213 13.596 0.736) 15.901 11.423 ( 4.344 -7.458 -1.057) 8.696 ======================= Grid point 227 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -5.283 9.895 -0.037) 11.217 1.119 ( -9.639 11.134 -3.220) 15.075 1.542 ( -0.384 -0.777 -3.729) 3.829 1.614 ( -0.307 -0.078 1.712) 1.741 1.665 ( 3.759 -1.037 3.885) 5.504 1.823 ( 4.614 -1.670 -1.864) 5.249 1.976 ( 7.301 -10.216 -0.685) 12.575 2.029 ( -6.864 -2.069 -0.281) 7.175 2.079 ( -4.384 2.619 -0.684) 5.152 2.296 ( -0.626 -0.928 -0.744) 1.344 2.560 ( 6.368 -11.685 -0.733) 13.328 2.628 ( -4.606 8.378 0.430) 9.571 2.781 ( 1.698 -3.753 -0.741) 4.185 3.409 ( 3.829 6.897 -0.302) 7.894 4.236 ( 7.078 -13.451 -0.314) 15.202 7.545 ( 0.316 -0.634 -0.139) 0.722 7.686 ( 2.163 -2.562 -1.372) 3.622 7.928 ( 0.134 -0.154 -0.105) 0.230 8.353 ( 0.193 4.427 0.407) 4.450 8.620 ( 0.869 -0.690 -0.713) 1.319 8.766 ( 1.869 2.499 -0.467) 3.155 8.949 ( -2.384 -3.513 -1.566) 4.525 9.300 ( -8.542 6.857 0.796) 10.982 9.460 ( -1.092 5.467 0.320) 5.585 9.629 ( 3.537 -2.779 0.094) 4.499 10.725 ( -7.912 10.476 0.574) 13.140 11.265 ( 5.460 -7.742 -0.962) 9.522 ======================= Grid point 228 (93/171) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 4.026 5.659 -1.628) 7.133 1.312 ( -4.015 5.970 -3.780) 8.127 1.512 ( 0.306 -0.291 -2.699) 2.732 1.578 ( 3.430 -5.604 -0.793) 6.618 1.644 ( -2.185 1.508 0.552) 2.711 1.724 ( 2.750 -1.355 2.313) 3.840 1.879 ( -1.836 0.736 1.434) 2.443 2.039 ( -1.878 -4.111 -0.296) 4.529 2.239 ( -7.302 -1.906 -3.248) 8.216 2.286 ( 3.161 -3.969 2.443) 5.632 2.380 ( -5.243 -4.677 -1.208) 7.129 2.708 ( -0.386 -1.732 -0.712) 1.912 2.771 ( 0.824 2.264 -0.347) 2.434 3.404 ( 10.201 15.656 -0.073) 18.686 4.082 ( -5.510 -13.162 -0.492) 14.277 7.555 ( -2.563 -0.430 -0.570) 2.661 7.620 ( 2.063 -1.977 -1.257) 3.122 7.925 ( 0.065 0.003 -0.279) 0.286 8.369 ( 2.841 3.297 0.495) 4.381 8.596 ( 0.474 -0.616 -0.985) 1.255 8.765 ( 1.200 2.444 0.515) 2.771 8.938 ( -2.266 -3.766 -2.032) 4.842 9.445 ( -0.022 2.266 0.230) 2.278 9.505 ( 1.189 4.073 0.563) 4.280 9.557 ( 0.000 -1.483 0.279) 1.509 10.865 ( 3.175 4.186 -0.260) 5.260 11.154 ( -2.931 -4.017 0.124) 4.974 ======================= Grid point 229 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 10.673 1.065 -3.130) 11.174 1.155 ( 16.061 -2.802 -2.411) 16.481 1.494 ( -1.699 0.309 -2.783) 3.276 1.602 ( -4.086 0.048 -1.406) 4.321 1.708 ( 0.445 1.695 3.275) 3.714 1.743 ( -2.779 2.093 2.262) 4.150 1.995 ( 0.975 -6.465 0.982) 6.612 2.046 ( -13.682 1.977 0.436) 13.831 2.116 ( 4.652 -2.457 -2.725) 5.925 2.291 ( -0.699 -0.055 -0.464) 0.840 2.594 ( -18.283 -0.290 -0.333) 18.288 2.654 ( 10.592 0.035 0.395) 10.599 2.725 ( -1.938 -1.572 -1.601) 2.965 3.381 ( 6.529 8.577 0.055) 10.780 4.170 ( -14.998 -4.507 -0.512) 15.669 7.569 ( 1.338 -0.926 -1.024) 1.923 7.607 ( -4.745 -0.230 -0.534) 4.781 7.921 ( -0.040 0.002 -0.576) 0.577 8.335 ( 4.646 1.468 0.540) 4.902 8.580 ( -0.061 -0.459 -0.988) 1.092 8.779 ( 0.661 2.063 1.233) 2.493 8.922 ( -1.995 -3.065 -2.204) 4.269 9.338 ( 9.870 -1.445 -0.238) 9.978 9.489 ( 4.563 2.069 0.523) 5.037 9.626 ( -4.429 0.882 0.337) 4.528 10.709 ( 13.662 -1.500 -0.787) 13.766 11.276 ( -9.950 0.672 0.958) 10.019 ======================= Grid point 230 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 11.927 0.000 -3.068) 12.315 0.849 ( 17.749 0.000 -2.681) 17.950 1.508 ( -0.936 -0.000 -0.085) 0.940 1.625 ( -0.113 -0.000 -0.393) 0.409 1.681 ( 8.361 0.000 0.543) 8.378 1.835 ( -3.498 -0.000 1.155) 3.684 1.871 ( 4.841 0.000 1.779) 5.157 2.064 ( 0.254 -0.000 -1.803) 1.821 2.265 ( 4.245 0.000 -1.187) 4.407 2.344 ( -19.682 -0.000 0.042) 19.683 2.481 ( 8.213 0.000 1.018) 8.276 2.767 ( -5.026 -0.000 -1.341) 5.201 2.887 ( -18.521 -0.000 -0.205) 18.522 3.364 ( 0.734 0.000 -0.011) 0.734 4.403 ( -16.408 -0.000 -0.332) 16.412 7.547 ( -0.103 -0.000 -0.588) 0.597 7.688 ( -5.953 -0.000 -0.384) 5.965 7.919 ( -0.367 -0.000 -0.767) 0.850 8.266 ( 5.209 0.000 0.452) 5.229 8.577 ( -0.729 -0.000 -0.721) 1.025 8.794 ( 0.252 0.000 1.481) 1.502 8.919 ( -1.860 -0.000 -1.779) 2.574 9.140 ( 13.760 0.000 -0.791) 13.783 9.415 ( 6.481 0.000 0.452) 6.497 9.683 ( -2.099 -0.000 0.231) 2.112 10.456 ( 16.268 0.000 -0.579) 16.278 11.439 ( -9.055 -0.000 0.851) 9.095 ======================= Grid point 231 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 12.261 0.000 -0.000) 12.261 0.827 ( 18.411 0.000 -0.000) 18.411 1.507 ( -3.676 -0.000 0.000) 3.676 1.621 ( -0.240 -0.000 0.000) 0.240 1.687 ( 13.923 0.000 -0.000) 13.923 1.844 ( -3.540 -0.000 0.000) 3.540 1.888 ( 2.161 0.000 -0.000) 2.161 2.044 ( -0.911 -0.000 0.000) 0.911 2.257 ( 5.471 0.000 -0.000) 5.471 2.344 ( -19.669 -0.000 0.000) 19.669 2.490 ( 7.807 0.000 -0.000) 7.807 2.756 ( -5.074 -0.000 0.000) 5.074 2.886 ( -18.546 -0.000 0.000) 18.546 3.364 ( 0.775 0.000 -0.000) 0.775 4.400 ( -16.446 -0.000 0.000) 16.446 7.542 ( -0.205 -0.000 0.000) 0.205 7.685 ( -5.985 -0.000 0.000) 5.985 7.913 ( -0.142 -0.000 0.000) 0.142 8.270 ( 5.223 0.000 -0.000) 5.223 8.571 ( -0.779 -0.000 0.000) 0.779 8.807 ( 0.018 0.000 -0.000) 0.018 8.904 ( -1.952 -0.000 0.000) 1.952 9.133 ( 14.239 0.000 -0.000) 14.239 9.419 ( 6.443 0.000 -0.000) 6.443 9.685 ( -2.117 -0.000 0.000) 2.117 10.451 ( 16.263 0.000 -0.000) 16.263 11.446 ( -9.095 -0.000 0.000) 9.095 ======================= Grid point 235 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.000 8.561 4.211) 9.541 0.607 ( 0.000 8.190 6.142) 10.238 1.203 ( 0.000 26.191 1.375) 26.227 1.559 ( -0.000 -1.615 -3.619) 3.963 1.595 ( 0.000 0.250 2.991) 3.001 1.850 ( 0.000 -1.769 3.974) 4.349 1.980 ( 0.000 -1.050 1.378) 1.732 2.009 ( 0.000 5.346 0.308) 5.354 2.157 ( -0.000 -1.572 -6.635) 6.819 2.381 ( -0.000 -2.542 -1.481) 2.942 2.754 ( -0.000 -14.133 0.357) 14.137 3.004 ( -0.000 -4.076 -0.871) 4.168 3.239 ( -0.000 -10.066 0.148) 10.067 3.440 ( -0.000 -4.540 -0.071) 4.541 4.879 ( -0.000 -10.195 -0.037) 10.195 7.708 ( 0.000 -4.953 1.248) 5.108 7.903 ( -0.000 -0.575 -0.478) 0.748 7.936 ( 0.000 -4.614 1.191) 4.765 8.131 ( 0.000 3.600 -0.078) 3.601 8.622 ( 0.000 12.986 1.434) 13.065 8.690 ( 0.000 -1.198 0.670) 1.372 8.810 ( -0.000 3.101 -1.939) 3.657 8.996 ( -0.000 -0.714 -1.363) 1.539 9.163 ( 0.000 5.760 0.055) 5.760 9.719 ( -0.000 1.216 -0.415) 1.285 10.038 ( 0.000 15.638 1.403) 15.701 11.615 ( -0.000 -5.602 -0.943) 5.681 ======================= Grid point 236 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -4.620 8.130 3.275) 9.908 0.730 ( -1.667 8.880 2.372) 9.341 1.459 ( -3.679 16.805 -0.815) 17.223 1.536 ( -2.642 -0.676 -3.709) 4.604 1.645 ( -0.896 3.980 3.793) 5.570 1.837 ( 3.181 -0.662 4.736) 5.744 1.987 ( 3.862 1.569 -1.683) 4.495 2.019 ( -1.561 -1.520 -0.296) 2.198 2.154 ( -4.301 4.735 -2.765) 6.969 2.343 ( -0.320 -3.545 -1.499) 3.863 2.572 ( 5.197 -14.932 -0.667) 15.824 2.942 ( 1.927 -4.459 -0.910) 4.942 3.084 ( 6.218 -12.664 0.137) 14.109 3.410 ( -1.889 -4.659 -0.201) 5.031 4.730 ( 6.320 -10.789 -0.120) 12.504 7.652 ( 3.299 -2.593 0.916) 4.294 7.821 ( 4.022 -3.011 -0.421) 5.042 7.941 ( -0.991 -1.789 0.029) 2.045 8.202 ( -3.892 3.514 0.259) 5.250 8.672 ( 1.294 -0.941 0.204) 1.613 8.743 ( -1.825 3.971 -1.205) 4.534 8.877 ( -3.796 10.426 0.339) 11.101 8.966 ( 0.489 -1.376 -0.855) 1.692 9.254 ( -3.814 5.974 -0.163) 7.089 9.718 ( 0.708 0.198 -0.279) 0.786 10.239 ( -5.346 15.556 1.123) 16.487 11.533 ( 2.315 -6.641 -1.034) 7.108 ======================= Grid point 237 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -4.931 9.455 0.722) 10.688 0.885 ( -6.669 8.956 -0.090) 11.167 1.506 ( -1.006 -0.364 -3.404) 3.568 1.615 ( -2.092 1.997 1.489) 3.253 1.734 ( 1.097 4.583 2.377) 5.278 1.866 ( -2.382 3.424 2.214) 4.722 1.890 ( 3.810 0.768 -2.684) 4.723 2.034 ( -1.790 -2.441 -0.738) 3.115 2.241 ( 4.480 -12.543 -0.606) 13.333 2.268 ( -1.073 1.751 -1.075) 2.318 2.431 ( -2.897 4.698 -0.801) 5.577 2.837 ( 8.164 -14.285 0.065) 16.454 2.854 ( 3.065 -5.046 -0.841) 5.964 3.403 ( -0.926 -1.414 -0.257) 1.710 4.494 ( 9.980 -11.500 -0.176) 15.227 7.584 ( 3.394 -1.112 0.408) 3.595 7.737 ( 2.197 -3.605 -1.058) 4.352 7.934 ( 0.033 -0.789 -0.043) 0.791 8.296 ( -2.648 4.283 0.414) 5.053 8.640 ( 1.397 -0.929 -0.415) 1.728 8.757 ( 0.637 2.002 -1.442) 2.548 8.942 ( -1.072 -2.651 -0.570) 2.916 9.092 ( -8.512 9.697 0.717) 12.923 9.370 ( -3.542 6.049 0.033) 7.010 9.691 ( 1.951 -1.358 -0.109) 2.380 10.489 ( -8.091 13.360 0.743) 15.637 11.407 ( 4.419 -7.321 -1.017) 8.612 ======================= Grid point 238 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -5.954 9.242 0.043) 10.994 1.073 ( -7.664 8.926 -2.400) 12.007 1.485 ( -0.594 -0.867 -3.346) 3.507 1.636 ( 0.717 -0.694 1.110) 1.492 1.735 ( 4.252 -1.032 4.288) 6.126 1.798 ( 3.363 -1.542 -0.922) 3.813 1.964 ( 6.472 -9.390 -0.661) 11.424 2.025 ( -7.457 -2.021 -0.313) 7.732 2.051 ( -3.212 2.227 -2.766) 4.788 2.291 ( -1.864 -1.099 0.024) 2.164 2.550 ( 5.594 -9.806 -0.554) 11.303 2.639 ( -3.767 6.120 0.938) 7.247 2.766 ( 1.647 -4.029 -1.130) 4.497 3.406 ( 3.625 6.684 -0.197) 7.607 4.232 ( 7.213 -13.479 -0.232) 15.289 7.542 ( 0.835 -0.620 -0.154) 1.051 7.665 ( 1.729 -3.437 -1.173) 4.022 7.928 ( 0.179 -0.229 0.047) 0.294 8.360 ( 0.168 4.450 0.447) 4.476 8.608 ( 1.015 -0.913 -0.734) 1.550 8.757 ( 0.811 2.466 -0.644) 2.674 8.930 ( -1.883 -3.954 -0.794) 4.451 9.310 ( -8.342 6.816 0.439) 10.781 9.465 ( -1.422 5.404 0.314) 5.596 9.629 ( 3.451 -2.721 0.001) 4.395 10.734 ( -7.810 10.267 0.456) 12.908 11.251 ( 5.281 -7.511 -0.752) 9.213 ======================= Grid point 239 (101/171) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 5.579 4.127 -0.798) 6.985 1.260 ( -5.567 5.861 -2.602) 8.492 1.473 ( -1.108 -0.366 -1.929) 2.254 1.562 ( 6.356 -8.173 -1.091) 10.411 1.651 ( -2.313 1.962 0.322) 3.050 1.779 ( 1.194 -0.176 3.945) 4.125 1.896 ( -2.089 1.353 0.761) 2.602 2.023 ( -1.744 -2.088 -1.634) 3.174 2.191 ( -5.921 -4.386 -2.418) 7.755 2.320 ( 2.786 -3.821 1.639) 5.005 2.366 ( -6.731 -4.156 -0.577) 7.932 2.699 ( -0.462 -3.048 -0.461) 3.117 2.765 ( 1.029 3.001 -0.338) 3.190 3.404 ( 9.982 15.631 0.015) 18.547 4.076 ( -5.408 -13.308 -0.300) 14.368 7.547 ( -2.190 -0.313 -0.415) 2.251 7.603 ( 1.469 -2.625 -0.855) 3.127 7.923 ( 0.353 -0.044 -0.007) 0.355 8.376 ( 2.855 3.399 0.421) 4.459 8.582 ( 0.476 -0.831 -0.724) 1.201 8.769 ( 0.504 2.878 0.010) 2.922 8.915 ( -1.939 -4.445 -0.864) 4.926 9.447 ( 0.330 2.154 0.120) 2.182 9.512 ( 1.354 4.019 0.359) 4.257 9.559 ( -0.463 -1.319 0.069) 1.400 10.861 ( 4.005 3.574 -0.201) 5.372 11.156 ( -3.997 -3.358 0.123) 5.221 ======================= Grid point 240 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 11.254 0.370 -1.175) 11.321 1.127 ( 16.228 -3.182 -1.029) 16.569 1.462 ( -2.165 0.319 -1.117) 2.457 1.586 ( -5.171 0.044 -0.566) 5.202 1.739 ( -2.952 4.773 0.792) 5.668 1.787 ( 0.595 -0.836 2.430) 2.638 2.013 ( 0.758 -4.600 1.471) 4.888 2.050 ( -12.548 2.028 -0.054) 12.711 2.057 ( 3.431 -4.277 -3.552) 6.533 2.296 ( 0.486 -0.071 0.438) 0.658 2.591 ( -18.341 -0.344 -0.130) 18.345 2.662 ( 11.052 0.175 0.504) 11.064 2.702 ( -2.669 -1.875 -1.014) 3.415 3.382 ( 6.566 8.550 0.046) 10.780 4.164 ( -15.050 -4.592 -0.198) 15.736 7.556 ( 0.912 -1.113 -0.475) 1.515 7.602 ( -4.612 -0.225 -0.199) 4.622 7.916 ( 0.333 -0.060 -0.131) 0.363 8.341 ( 4.681 1.556 0.259) 4.940 8.568 ( -0.133 -0.577 -0.426) 0.730 8.791 ( 0.303 2.851 0.368) 2.890 8.899 ( -1.920 -3.935 -0.699) 4.434 9.335 ( 10.235 -1.492 -0.112) 10.344 9.495 ( 4.463 2.083 0.184) 4.928 9.630 ( -4.404 0.919 0.105) 4.500 10.700 ( 13.688 -1.556 -0.298) 13.780 11.287 ( -10.157 0.744 0.367) 10.191 ======================= Grid point 246 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.000 6.863 4.186) 8.039 0.707 ( 0.000 2.610 6.275) 6.796 1.215 ( 0.000 23.274 0.064) 23.274 1.501 ( -0.000 -0.913 -3.592) 3.706 1.651 ( 0.000 1.241 4.127) 4.310 1.897 ( 0.000 0.915 1.667) 1.902 1.996 ( 0.000 0.269 0.589) 0.647 2.018 ( 0.000 3.811 0.823) 3.899 2.050 ( -0.000 -1.032 -6.496) 6.577 2.371 ( -0.000 -4.568 0.139) 4.570 2.754 ( -0.000 -15.054 -0.394) 15.059 2.990 ( -0.000 -4.280 -0.879) 4.369 3.242 ( -0.000 -10.055 0.146) 10.056 3.439 ( -0.000 -4.827 -0.067) 4.828 4.879 ( -0.000 -10.379 -0.009) 10.379 7.725 ( 0.000 -5.544 0.940) 5.623 7.896 ( -0.000 -0.678 -0.473) 0.826 7.955 ( 0.000 -5.321 1.226) 5.460 8.129 ( 0.000 3.636 -0.067) 3.637 8.645 ( 0.000 10.894 1.508) 10.998 8.701 ( 0.000 -1.284 0.654) 1.441 8.776 ( -0.000 4.321 -2.367) 4.927 8.976 ( -0.000 -0.993 -1.179) 1.542 9.164 ( 0.000 5.761 0.055) 5.762 9.712 ( -0.000 1.424 -0.403) 1.479 10.060 ( 0.000 15.289 1.369) 15.350 11.601 ( -0.000 -5.707 -0.856) 5.771 ======================= Grid point 247 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -4.529 6.508 3.010) 8.481 0.765 ( -0.271 4.133 1.968) 4.585 1.446 ( -3.541 15.469 -0.804) 15.889 1.481 ( -2.169 1.489 -3.077) 4.048 1.707 ( -0.180 3.006 4.112) 5.097 1.896 ( 2.484 1.488 1.504) 3.263 1.941 ( 4.595 -0.721 -2.325) 5.200 2.016 ( -2.019 -1.726 -0.577) 2.718 2.123 ( -4.678 7.225 -1.149) 8.683 2.338 ( -1.021 -4.406 0.745) 4.583 2.554 ( 5.291 -16.317 -1.506) 17.219 2.927 ( 1.762 -4.734 -0.822) 5.118 3.086 ( 6.227 -12.687 0.116) 14.133 3.407 ( -1.986 -4.963 -0.160) 5.348 4.729 ( 6.333 -10.900 -0.073) 12.606 7.664 ( 3.128 -3.155 0.584) 4.481 7.815 ( 4.602 -3.217 -0.289) 5.622 7.941 ( -0.801 -2.182 0.045) 2.324 8.206 ( -4.252 3.355 0.270) 5.422 8.673 ( 1.751 -1.065 -0.052) 2.050 8.729 ( -1.077 1.495 -0.576) 1.930 8.878 ( -5.204 11.998 -0.114) 13.078 8.954 ( 0.022 -1.544 -0.688) 1.690 9.252 ( -3.746 5.980 -0.061) 7.056 9.714 ( 0.642 0.345 -0.245) 0.769 10.256 ( -5.168 15.252 0.907) 16.129 11.518 ( 2.416 -6.642 -0.788) 7.111 ======================= Grid point 248 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -3.477 7.520 -0.061) 8.285 0.892 ( -6.828 6.943 0.722) 9.764 1.458 ( -0.504 -0.425 -2.373) 2.463 1.638 ( -3.099 5.084 1.202) 6.074 1.767 ( 0.332 5.352 1.936) 5.701 1.840 ( 3.445 0.400 -2.893) 4.516 1.913 ( -1.066 0.103 3.076) 3.258 2.008 ( -0.987 -2.012 -2.370) 3.262 2.239 ( 6.074 -14.361 0.142) 15.593 2.255 ( -1.431 1.591 -0.630) 2.230 2.422 ( -4.966 5.677 -0.337) 7.550 2.836 ( 5.456 -9.648 -0.196) 11.086 2.843 ( 5.658 -9.858 -0.412) 11.373 3.400 ( -1.041 -1.668 -0.149) 1.972 4.492 ( 10.027 -11.534 -0.095) 15.283 7.589 ( 3.683 -1.348 0.209) 3.928 7.723 ( 2.307 -4.188 -0.625) 4.822 7.934 ( -0.117 -0.888 -0.015) 0.896 8.301 ( -2.739 4.225 0.312) 5.045 8.634 ( 1.593 -1.157 -0.395) 2.008 8.739 ( 0.151 1.487 -0.763) 1.678 8.936 ( -1.004 -2.877 -0.279) 3.060 9.099 ( -8.610 9.825 0.268) 13.066 9.371 ( -3.807 5.987 0.054) 7.095 9.690 ( 1.865 -1.274 -0.091) 2.261 10.499 ( -7.995 13.162 0.462) 15.406 11.394 ( 4.488 -7.223 -0.610) 8.526 ======================= Grid point 249 (106/171) ======================= q-point: ( 0.80 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -8.994 9.195 -0.103) 12.863 1.049 ( -3.761 7.078 -0.713) 8.047 1.446 ( -0.782 -0.782 -1.346) 1.742 1.649 ( 1.782 -1.081 0.424) 2.127 1.761 ( 4.716 -4.429 -0.230) 6.474 1.822 ( 1.651 2.204 2.722) 3.872 1.957 ( 5.660 -8.600 -0.246) 10.298 2.000 ( 0.532 -1.468 -2.425) 2.884 2.025 ( -10.358 0.778 -0.196) 10.389 2.293 ( -2.434 -1.234 0.138) 2.733 2.544 ( 5.184 -8.910 -0.200) 10.310 2.653 ( -3.666 5.349 0.611) 6.514 2.750 ( 1.919 -4.557 -0.675) 4.991 3.403 ( 3.466 6.539 -0.065) 7.401 4.229 ( 7.307 -13.484 -0.083) 15.337 7.541 ( 1.135 -0.658 -0.073) 1.314 7.652 ( 1.539 -3.948 -0.452) 4.261 7.929 ( 0.150 -0.238 0.042) 0.284 8.366 ( 0.145 4.504 0.207) 4.511 8.599 ( 1.058 -1.119 -0.332) 1.576 8.749 ( 0.272 2.266 -0.298) 2.301 8.923 ( -1.613 -4.018 -0.207) 4.335 9.314 ( -8.257 6.813 0.130) 10.705 9.469 ( -1.640 5.363 0.133) 5.610 9.629 ( 3.422 -2.708 -0.017) 4.364 10.739 ( -7.734 10.129 0.172) 12.745 11.243 ( 5.161 -7.368 -0.281) 9.000 ======================= Grid point 250 (107/171) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 6.314 3.432 -0.000) 7.186 1.238 ( -6.163 5.851 0.000) 8.498 1.458 ( -1.489 -0.385 0.000) 1.538 1.552 ( 6.832 -8.786 -0.000) 11.129 1.654 ( -2.465 2.142 0.000) 3.265 1.817 ( 1.072 -0.359 -0.000) 1.131 1.902 ( -2.248 1.637 0.000) 2.781 2.004 ( -1.582 -0.408 0.000) 1.634 2.172 ( -5.607 -6.187 0.000) 8.350 2.333 ( 2.748 -3.556 -0.000) 4.494 2.361 ( -7.276 -3.956 0.000) 8.282 2.695 ( -0.455 -3.692 0.000) 3.720 2.762 ( 1.085 3.389 -0.000) 3.558 3.404 ( 9.883 15.613 -0.000) 18.478 4.074 ( -5.363 -13.364 0.000) 14.400 7.543 ( -2.021 -0.295 0.000) 2.043 7.596 ( 1.241 -2.859 -0.000) 3.117 7.923 ( 0.440 -0.044 -0.000) 0.442 8.380 ( 2.869 3.469 -0.000) 4.501 8.576 ( 0.456 -0.948 -0.000) 1.052 8.768 ( 0.213 2.936 -0.000) 2.944 8.909 ( -1.781 -4.588 0.000) 4.921 9.448 ( 0.423 2.128 -0.000) 2.170 9.515 ( 1.504 3.996 -0.000) 4.270 9.560 ( -0.683 -1.278 0.000) 1.449 10.860 ( 4.310 3.345 -0.000) 5.456 11.157 ( -4.391 -3.112 0.000) 5.382 ======================= Grid point 257 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -0.000 5.654 2.653) 6.245 0.792 ( -0.000 -2.068 4.264) 4.739 1.207 ( -0.000 22.246 -0.853) 22.263 1.454 ( -0.000 -0.353 -2.297) 2.324 1.720 ( -0.000 1.905 4.574) 4.955 1.886 ( -0.000 3.184 -3.291) 4.579 1.978 ( -0.000 -1.074 -2.115) 2.372 2.001 ( -0.000 2.059 0.143) 2.064 2.030 ( 0.000 1.920 0.637) 2.023 2.381 ( -0.000 -5.411 0.918) 5.489 2.744 ( 0.000 -16.184 -0.666) 16.198 2.978 ( 0.000 -4.448 -0.547) 4.482 3.243 ( -0.000 -10.047 0.089) 10.047 3.438 ( -0.000 -5.062 -0.041) 5.062 4.879 ( -0.000 -10.513 0.005) 10.513 7.736 ( 0.000 -6.007 0.479) 6.026 7.889 ( 0.000 -0.761 -0.290) 0.814 7.971 ( 0.000 -5.729 0.780) 5.782 8.129 ( -0.000 3.664 -0.037) 3.664 8.670 ( -0.000 10.065 1.691) 10.206 8.710 ( 0.000 -1.351 0.397) 1.408 8.738 ( 0.000 4.443 -2.343) 5.023 8.961 ( 0.000 -1.186 -0.678) 1.366 9.164 ( -0.000 5.762 0.035) 5.762 9.707 ( -0.000 1.523 -0.236) 1.541 10.078 ( -0.000 15.042 0.833) 15.065 11.590 ( -0.000 -5.790 -0.501) 5.812 ======================= Grid point 258 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -5.067 5.694 1.297) 7.732 0.787 ( 1.123 0.876 0.725) 1.599 1.437 ( -2.677 10.415 -0.218) 10.756 1.445 ( -2.805 7.624 -1.371) 8.238 1.772 ( 0.381 1.946 3.984) 4.451 1.852 ( 3.048 1.997 -4.157) 5.528 1.959 ( 0.847 -0.627 1.893) 2.166 2.000 ( 0.210 -1.762 -1.211) 2.148 2.114 ( -4.232 8.015 -0.253) 9.067 2.355 ( -1.628 -3.638 0.973) 4.102 2.532 ( 5.422 -18.267 -0.999) 19.080 2.918 ( 1.745 -4.896 -0.337) 5.208 3.087 ( 6.225 -12.700 0.045) 14.143 3.405 ( -2.052 -5.153 -0.060) 5.546 4.728 ( 6.346 -10.959 -0.023) 12.664 7.670 ( 2.930 -3.588 0.186) 4.636 7.812 ( 4.965 -3.218 -0.096) 5.918 7.942 ( -0.606 -2.396 0.023) 2.472 8.209 ( -4.501 3.234 0.120) 5.544 8.672 ( 1.993 -1.264 -0.091) 2.361 8.724 ( -0.627 0.285 -0.128) 0.700 8.876 ( -6.043 12.813 -0.109) 14.167 8.946 ( -0.195 -1.628 -0.261) 1.661 9.252 ( -3.733 5.955 -0.010) 7.029 9.711 ( 0.606 0.417 -0.096) 0.742 10.266 ( -5.066 15.066 0.346) 15.899 11.509 ( 2.481 -6.648 -0.292) 7.102 ======================= Grid point 259 (110/171) ======================= q-point: ( 0.80 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -3.085 6.369 0.000) 7.077 0.899 ( -6.759 6.517 0.000) 9.389 1.439 ( -0.269 -0.353 0.000) 0.444 1.648 ( -3.698 6.760 0.000) 7.705 1.799 ( 2.371 4.952 -0.000) 5.490 1.800 ( 0.693 0.579 -0.000) 0.903 1.955 ( -0.144 -2.417 -0.000) 2.422 1.972 ( -0.820 -0.673 0.000) 1.060 2.241 ( 9.012 -17.560 -0.000) 19.737 2.249 ( -3.390 3.786 0.000) 5.082 2.420 ( -6.107 6.167 0.000) 8.679 2.833 ( 2.783 -5.033 -0.000) 5.751 2.841 ( 8.316 -14.525 -0.000) 16.737 3.399 ( -1.090 -1.767 0.000) 2.076 4.491 ( 10.047 -11.543 -0.000) 15.303 7.591 ( 3.761 -1.472 -0.000) 4.039 7.718 ( 2.386 -4.372 -0.000) 4.981 7.933 ( -0.181 -0.918 0.000) 0.936 8.304 ( -2.780 4.205 0.000) 5.041 8.630 ( 1.635 -1.273 -0.000) 2.072 8.733 ( 0.058 1.294 0.000) 1.296 8.934 ( -1.022 -2.938 0.000) 3.110 9.101 ( -8.661 9.883 0.000) 13.141 9.371 ( -3.910 5.956 0.000) 7.124 9.689 ( 1.835 -1.246 -0.000) 2.218 10.503 ( -7.958 13.084 0.000) 15.314 11.389 ( 4.515 -7.188 -0.000) 8.488 ======================= Grid point 265 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 10.543 0.000 4.821) 11.593 0.963 ( 14.316 0.000 3.556) 14.751 1.498 ( 5.071 0.000 -0.650) 5.112 1.639 ( -0.009 0.000 0.251) 0.252 1.680 ( -0.310 -0.000 -0.030) 0.311 1.779 ( -2.655 -0.000 -1.869) 3.247 1.827 ( 7.677 0.000 -0.158) 7.678 2.066 ( 1.675 -0.000 -1.457) 2.220 2.325 ( 5.397 0.000 1.121) 5.512 2.341 ( -19.826 -0.000 -0.116) 19.827 2.473 ( 7.153 0.000 1.349) 7.279 2.815 ( -5.036 -0.000 1.185) 5.173 2.897 ( -18.381 -0.000 0.323) 18.384 3.367 ( 0.553 0.000 0.220) 0.595 4.418 ( -16.196 -0.000 0.518) 16.204 7.563 ( 0.407 0.000 0.184) 0.447 7.707 ( -5.763 -0.000 0.625) 5.797 7.968 ( -1.513 0.000 2.100) 2.588 8.249 ( 5.233 0.000 -0.429) 5.251 8.606 ( -0.505 0.000 0.907) 1.038 8.734 ( 0.514 -0.000 -1.804) 1.876 9.005 ( -1.285 0.000 3.019) 3.282 9.166 ( 12.274 0.000 0.598) 12.288 9.391 ( 6.684 0.000 -0.900) 6.744 9.669 ( -2.060 -0.000 -0.586) 2.142 10.484 ( 16.289 0.000 0.966) 16.318 11.399 ( -8.894 -0.000 -1.334) 8.994 ======================= Grid point 269 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.000 5.210 0.000) 5.210 0.828 ( -0.000 -4.276 0.000) 4.276 1.198 ( 0.000 22.527 -0.000) 22.527 1.435 ( -0.000 -0.130 0.000) 0.130 1.775 ( 0.000 2.342 0.000) 2.342 1.836 ( 0.000 2.522 0.000) 2.522 1.966 ( -0.000 -0.010 0.000) 0.010 2.002 ( 0.000 2.483 0.000) 2.483 2.036 ( 0.000 1.469 0.000) 1.469 2.390 ( -0.000 -5.392 0.000) 5.392 2.738 ( -0.000 -16.774 0.000) 16.774 2.974 ( -0.000 -4.513 -0.000) 4.513 3.244 ( -0.000 -10.044 0.000) 10.044 3.437 ( -0.000 -5.151 0.000) 5.151 4.879 ( -0.000 -10.561 0.000) 10.561 7.740 ( -0.000 -6.193 0.000) 6.193 7.887 ( -0.000 -0.793 0.000) 0.793 7.978 ( -0.000 -5.853 0.000) 5.853 8.128 ( 0.000 3.674 0.000) 3.674 8.693 ( 0.000 14.573 -0.000) 14.573 8.710 ( -0.000 -0.349 0.000) 0.349 8.713 ( -0.000 -1.376 0.000) 1.376 8.956 ( -0.000 -1.245 0.000) 1.245 9.165 ( 0.000 5.761 0.000) 5.761 9.705 ( 0.000 1.546 0.000) 1.546 10.085 ( 0.000 14.955 0.000) 14.955 11.586 ( -0.000 -5.819 0.000) 5.819 ======================= Grid point 276 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 8.914 2.825 3.527) 9.994 1.227 ( 14.918 -1.199 1.548) 15.046 1.539 ( 2.315 0.546 -1.114) 2.626 1.633 ( -1.140 -0.794 -0.157) 1.398 1.675 ( -2.245 0.448 1.682) 2.840 1.712 ( -1.249 2.297 1.253) 2.900 1.975 ( 3.363 -7.338 -0.090) 8.073 2.020 ( -16.540 2.704 -1.082) 16.794 2.082 ( 3.110 -1.494 -3.058) 4.611 2.367 ( -0.450 -0.349 2.468) 2.533 2.606 ( -18.189 -0.142 0.314) 18.192 2.659 ( 11.431 0.211 0.645) 11.451 2.761 ( -2.943 -1.208 0.519) 3.223 3.384 ( 6.428 8.607 0.184) 10.744 4.188 ( -14.829 -4.251 0.496) 15.434 7.592 ( 2.568 -0.282 0.254) 2.596 7.628 ( -5.013 -0.525 0.589) 5.075 7.957 ( -1.234 0.513 1.390) 1.928 8.321 ( 4.657 1.325 -0.258) 4.849 8.611 ( 0.007 -0.241 0.757) 0.795 8.731 ( 1.223 0.742 -1.363) 1.976 9.011 ( -1.818 -1.393 2.663) 3.513 9.345 ( 9.097 -1.391 0.161) 9.204 9.468 ( 4.856 2.032 -0.706) 5.311 9.610 ( -4.602 0.740 -0.605) 4.700 10.737 ( 13.548 -1.277 0.802) 13.632 11.241 ( -9.292 0.388 -0.948) 9.348 ======================= Grid point 277 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 10.211 -0.000 3.050) 10.657 1.008 ( 12.879 -0.000 2.051) 13.041 1.489 ( 2.829 -0.000 -0.409) 2.859 1.639 ( -0.826 0.000 -0.175) 0.844 1.674 ( 8.048 0.000 -0.561) 8.068 1.756 ( -1.492 -0.000 -1.001) 1.797 1.836 ( 2.170 0.000 0.974) 2.378 2.042 ( 0.795 0.000 -1.399) 1.609 2.332 ( 8.452 0.000 0.024) 8.452 2.339 ( -19.928 0.000 -0.085) 19.928 2.499 ( 5.336 0.000 1.551) 5.557 2.828 ( -5.125 0.000 0.540) 5.153 2.901 ( -18.321 -0.000 0.198) 18.323 3.371 ( 0.511 -0.000 0.197) 0.547 4.425 ( -16.104 0.000 0.315) 16.107 7.564 ( 0.533 -0.000 -0.052) 0.535 7.715 ( -5.680 0.000 0.387) 5.693 7.997 ( -1.892 -0.000 1.499) 2.414 8.244 ( 5.275 0.000 -0.208) 5.279 8.618 ( -0.422 0.000 0.517) 0.667 8.712 ( 0.355 0.000 -1.033) 1.092 9.045 ( -0.991 -0.000 1.921) 2.161 9.173 ( 11.993 -0.000 0.275) 11.996 9.379 ( 6.754 0.000 -0.616) 6.782 9.661 ( -2.092 0.000 -0.438) 2.137 10.497 ( 16.297 -0.000 0.605) 16.308 11.382 ( -8.854 0.000 -0.815) 8.892 ======================= Grid point 287 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 1.030 8.515 1.327) 8.679 1.400 ( 2.532 4.617 1.026) 5.364 1.527 ( -1.323 2.444 -0.496) 2.823 1.626 ( -2.692 0.916 0.061) 2.844 1.635 ( -0.631 -0.461 1.910) 2.064 1.751 ( 4.095 -4.745 2.357) 6.696 1.822 ( -0.738 -1.951 -2.116) 2.971 2.027 ( -0.984 -1.856 -0.516) 2.163 2.201 ( 3.742 -9.008 -1.874) 9.932 2.315 ( -10.834 2.239 0.956) 11.104 2.429 ( -1.247 -5.038 1.337) 5.359 2.735 ( -0.276 -0.721 0.975) 1.244 2.768 ( 0.479 2.346 -0.573) 2.462 3.409 ( 10.462 15.584 0.192) 18.771 4.097 ( -5.670 -12.833 0.313) 14.033 7.570 ( -3.209 -0.711 0.290) 3.300 7.650 ( 3.441 -0.812 0.435) 3.562 7.944 ( -0.791 0.509 0.635) 1.135 8.358 ( 2.850 3.260 -0.145) 4.333 8.621 ( 0.320 -0.362 0.463) 0.669 8.741 ( 2.332 1.272 -0.623) 2.728 9.011 ( -2.422 -1.955 1.803) 3.597 9.436 ( -1.792 2.839 -0.271) 3.368 9.489 ( 1.942 4.091 -0.300) 4.539 9.543 ( 0.847 -2.171 -0.427) 2.370 10.870 ( 1.209 5.565 0.060) 5.695 11.153 ( -0.442 -5.521 0.036) 5.539 ======================= Grid point 288 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 8.367 3.256 1.465) 9.097 1.242 ( 14.296 -0.499 0.469) 14.312 1.522 ( 3.171 0.693 -0.653) 3.311 1.624 ( -1.305 -1.647 -0.495) 2.159 1.695 ( -2.559 3.334 0.658) 4.254 1.742 ( 0.805 -0.986 1.527) 1.988 1.979 ( 6.990 -8.570 0.431) 11.068 2.005 ( -17.341 3.813 -0.668) 17.768 2.040 ( -0.853 -0.751 -1.804) 2.132 2.393 ( 0.301 -0.444 0.826) 0.985 2.610 ( -18.211 -0.107 0.118) 18.212 2.668 ( 11.560 0.303 0.404) 11.571 2.765 ( -3.559 -1.093 0.075) 3.724 3.386 ( 6.401 8.594 0.101) 10.717 4.193 ( -14.776 -4.178 0.188) 15.356 7.593 ( 2.834 -0.116 0.022) 2.836 7.634 ( -5.036 -0.658 0.224) 5.084 7.973 ( -1.538 0.775 0.621) 1.831 8.318 ( 4.673 1.293 -0.075) 4.849 8.619 ( 0.004 -0.195 0.273) 0.335 8.716 ( 1.313 0.521 -0.519) 1.505 9.041 ( -1.695 -1.040 1.060) 2.254 9.347 ( 8.963 -1.412 0.066) 9.074 9.459 ( 4.928 2.030 -0.300) 5.338 9.602 ( -4.698 0.687 -0.275) 4.756 10.746 ( 13.503 -1.192 0.307) 13.559 11.231 ( -9.089 0.283 -0.361) 9.101 ======================= Grid point 289 (117/171) ======================= q-point: (-0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 10.140 0.000 0.000) 10.140 1.025 ( 12.332 0.000 0.000) 12.332 1.486 ( 1.423 0.000 0.000) 1.423 1.637 ( -1.403 -0.000 0.000) 1.403 1.668 ( 12.076 0.000 0.000) 12.076 1.748 ( -0.813 -0.000 0.000) 0.813 1.846 ( -0.164 -0.000 0.000) 0.164 2.029 ( 0.418 0.000 0.000) 0.418 2.332 ( 9.420 0.000 0.000) 9.420 2.338 ( -19.973 -0.000 0.000) 19.973 2.512 ( 4.863 0.000 0.000) 4.863 2.832 ( -5.173 -0.000 -0.000) 5.173 2.903 ( -18.299 -0.000 0.000) 18.299 3.373 ( 0.502 0.000 0.000) 0.502 4.428 ( -16.070 -0.000 0.000) 16.070 7.563 ( 0.561 0.000 0.000) 0.561 7.718 ( -5.648 -0.000 0.000) 5.648 8.010 ( -2.014 -0.000 0.000) 2.014 8.243 ( 5.294 0.000 0.000) 5.294 8.622 ( -0.391 -0.000 0.000) 0.391 8.703 ( 0.274 0.000 0.000) 0.274 9.060 ( -0.869 -0.000 0.000) 0.869 9.175 ( 11.924 0.000 0.000) 11.924 9.374 ( 6.775 0.000 0.000) 6.775 9.657 ( -2.115 -0.000 0.000) 2.115 10.501 ( 16.300 0.000 0.000) 16.300 11.375 ( -8.843 -0.000 0.000) 8.843 ======================= Grid point 298 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -6.370 11.128 0.096) 12.822 1.197 ( -10.596 14.206 1.049) 17.754 1.537 ( 2.275 0.441 -1.074) 2.554 1.605 ( 0.094 -0.905 -0.380) 0.986 1.650 ( -0.808 -1.421 1.247) 2.056 1.866 ( 5.249 -2.282 0.593) 5.754 1.975 ( 4.210 -7.425 -0.405) 8.545 2.044 ( 3.311 -5.462 0.519) 6.408 2.066 ( -10.155 4.064 -0.550) 10.951 2.323 ( 1.445 -1.275 0.405) 1.969 2.578 ( 6.708 -13.468 0.216) 15.047 2.630 ( -5.870 11.421 0.190) 12.843 2.790 ( 2.283 -3.666 -0.008) 4.319 3.418 ( 4.015 7.185 0.123) 8.231 4.244 ( 6.897 -13.360 0.110) 15.036 7.547 ( -0.567 -0.743 0.028) 0.935 7.716 ( 3.173 -1.229 0.342) 3.419 7.935 ( -0.196 0.229 0.148) 0.336 8.346 ( 0.201 4.455 -0.074) 4.461 8.634 ( 0.516 -0.474 0.159) 0.718 8.771 ( 3.597 1.932 -0.007) 4.083 8.999 ( -2.806 -2.166 0.841) 3.643 9.274 ( -9.188 7.084 -0.468) 11.611 9.454 ( -0.609 5.565 -0.061) 5.599 9.625 ( 3.751 -2.972 -0.078) 4.787 10.712 ( -8.024 10.779 -0.181) 13.439 11.288 ( 5.717 -8.114 0.313) 9.930 ======================= Grid point 299 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.489 9.001 0.000) 9.015 1.406 ( 4.024 3.780 -0.000) 5.521 1.524 ( -2.250 3.567 0.000) 4.217 1.625 ( -2.390 0.141 0.000) 2.394 1.653 ( -0.298 0.675 0.000) 0.738 1.786 ( 2.000 -2.778 -0.000) 3.423 1.789 ( 0.390 -4.968 -0.000) 4.983 2.023 ( -0.660 -0.487 0.000) 0.820 2.186 ( 4.123 -9.980 -0.000) 10.799 2.322 ( -11.380 2.185 0.000) 11.588 2.440 ( -0.776 -4.885 0.000) 4.947 2.746 ( -0.736 -2.618 0.000) 2.719 2.760 ( 0.886 4.422 -0.000) 4.510 3.411 ( 10.472 15.555 -0.000) 18.752 4.099 ( -5.689 -12.777 0.000) 13.986 7.572 ( -3.302 -0.748 0.000) 3.385 7.653 ( 3.668 -0.681 -0.000) 3.730 7.949 ( -0.942 0.668 0.000) 1.155 8.357 ( 2.851 3.265 -0.000) 4.334 8.625 ( 0.284 -0.333 -0.000) 0.437 8.736 ( 2.486 1.106 -0.000) 2.721 9.026 ( -2.375 -1.668 0.000) 2.903 9.433 ( -2.295 2.994 0.000) 3.772 9.486 ( 2.246 4.107 -0.000) 4.681 9.539 ( 0.993 -2.376 -0.000) 2.575 10.871 ( 0.870 5.792 -0.000) 5.857 11.153 ( -0.013 -5.773 -0.000) 5.773 ======================= Grid point 308 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -8.140 10.814 0.000) 13.535 0.913 ( -7.254 16.672 0.000) 18.181 1.547 ( -0.041 -0.081 0.000) 0.090 1.638 ( 2.837 -1.299 -0.000) 3.120 1.643 ( -2.488 -1.597 0.000) 2.956 1.811 ( -9.320 14.059 0.000) 16.868 1.979 ( 5.792 -1.155 -0.000) 5.906 1.989 ( -1.742 -1.299 0.000) 2.173 2.306 ( 8.890 -15.111 -0.000) 17.532 2.307 ( -2.450 4.265 0.000) 4.918 2.460 ( -2.831 5.528 0.000) 6.210 2.835 ( 8.318 -14.652 -0.000) 16.849 2.875 ( 3.599 -3.965 -0.000) 5.355 3.413 ( -0.727 -0.788 0.000) 1.072 4.501 ( 9.898 -11.344 -0.000) 15.056 7.568 ( 2.221 -0.813 -0.000) 2.365 7.774 ( 2.428 -1.728 -0.000) 2.980 7.937 ( 0.244 -0.325 -0.000) 0.407 8.285 ( -2.511 4.414 0.000) 5.078 8.648 ( 0.608 -0.595 -0.000) 0.851 8.814 ( 4.209 2.504 -0.000) 4.898 8.981 ( -2.161 -2.116 0.000) 3.025 9.040 ( -9.351 10.846 0.000) 14.320 9.371 ( -2.854 6.059 0.000) 6.697 9.693 ( 2.207 -1.650 -0.000) 2.756 10.464 ( -8.352 13.846 0.000) 16.169 11.443 ( 4.277 -7.638 -0.000) 8.754 ======================= Grid point 318 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -0.000 9.637 0.000) 9.637 0.816 ( -0.000 18.685 0.000) 18.685 1.538 ( 0.000 -0.189 -0.000) 0.189 1.564 ( 0.000 -4.110 -0.000) 4.110 1.693 ( -0.000 25.959 0.000) 25.959 1.711 ( 0.000 -2.613 -0.000) 2.613 1.941 ( 0.000 -0.382 -0.000) 0.382 2.129 ( -0.000 8.171 0.000) 8.171 2.217 ( 0.000 -1.949 -0.000) 1.949 2.425 ( -0.000 0.121 0.000) 0.121 2.445 ( 0.000 -17.920 -0.000) 17.920 2.946 ( 0.000 -3.877 -0.000) 3.877 3.023 ( 0.000 -12.778 -0.000) 12.778 3.327 ( 0.000 -8.510 -0.000) 8.510 4.692 ( 0.000 -9.766 -0.000) 9.766 7.639 ( 0.000 -0.885 -0.000) 0.885 7.851 ( 0.000 -3.223 -0.000) 3.223 7.911 ( -0.000 0.254 0.000) 0.254 8.192 ( -0.000 2.800 0.000) 2.800 8.662 ( 0.000 -0.659 -0.000) 0.659 8.860 ( -0.000 1.015 0.000) 1.015 8.889 ( -0.000 14.973 0.000) 14.973 9.018 ( 0.000 -0.094 -0.000) 0.094 9.265 ( -0.000 5.120 0.000) 5.120 9.728 ( 0.000 -0.865 -0.000) 0.865 10.325 ( -0.000 17.102 0.000) 17.102 11.510 ( 0.000 -7.792 -0.000) 7.792 ======================= Grid point 319 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -6.585 8.693 0.450) 10.915 1.005 ( -2.131 18.524 -0.631) 18.657 1.542 ( -0.730 -0.407 0.069) 0.839 1.551 ( -2.950 -3.755 -0.258) 4.782 1.672 ( 2.364 -2.030 1.404) 3.418 1.907 ( -0.408 16.888 -0.153) 16.893 1.954 ( -1.597 -0.534 0.588) 1.784 2.090 ( 8.004 2.915 -0.720) 8.548 2.243 ( 3.315 -17.679 -1.197) 18.027 2.302 ( -3.801 5.489 -0.452) 6.692 2.455 ( -3.372 4.555 -0.145) 5.670 2.829 ( 7.657 -14.324 0.026) 16.242 2.890 ( 2.594 -3.467 -0.334) 4.343 3.302 ( -6.821 -8.247 -0.193) 10.704 4.549 ( 7.300 -8.731 -0.075) 11.381 7.609 ( 3.030 -0.323 0.323) 3.064 7.795 ( 2.403 -1.733 -0.504) 3.005 7.927 ( -0.897 -0.398 -0.138) 0.990 8.257 ( -4.509 2.689 0.034) 5.250 8.653 ( 0.543 -0.467 0.098) 0.723 8.868 ( -0.145 1.527 -1.554) 2.184 8.974 ( 3.591 -0.433 -0.328) 3.631 9.051 ( -3.616 12.064 0.946) 12.629 9.355 ( -4.692 4.271 -0.057) 6.345 9.705 ( 1.301 -2.020 -0.008) 2.403 10.508 ( -3.644 15.285 0.215) 15.714 11.417 ( 2.096 -8.419 -0.305) 8.681 ======================= Grid point 320 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -9.653 8.006 0.164) 12.542 1.205 ( -4.482 15.789 -2.304) 16.574 1.554 ( -2.409 -1.885 -0.882) 3.183 1.572 ( -2.212 -1.255 0.520) 2.595 1.631 ( 2.779 -1.357 2.351) 3.885 1.932 ( 4.155 -6.516 -1.704) 7.913 1.957 ( 2.666 -0.963 -0.166) 2.839 2.032 ( 3.686 -7.004 -1.252) 8.013 2.066 ( 0.667 9.300 0.835) 9.361 2.331 ( 0.852 0.203 -1.210) 1.494 2.561 ( 7.468 -13.792 -0.176) 15.685 2.636 ( -5.911 10.446 -0.211) 12.004 2.805 ( 3.603 -2.902 -0.419) 4.645 3.383 ( -10.283 -2.103 -0.402) 10.503 4.306 ( 13.124 -8.661 -0.127) 15.725 7.559 ( 2.602 -0.415 0.350) 2.658 7.741 ( 2.233 -0.985 -1.296) 2.763 7.930 ( -0.309 -0.227 -0.245) 0.455 8.354 ( -3.754 2.755 0.142) 4.659 8.638 ( 0.752 -0.349 -0.136) 0.840 8.850 ( 3.582 2.261 -0.905) 4.331 8.934 ( -1.172 -1.857 -1.467) 2.641 9.228 ( -5.997 7.950 1.020) 10.010 9.462 ( -3.887 3.537 -0.065) 5.256 9.650 ( 2.765 -2.807 0.063) 3.941 10.710 ( -5.699 11.824 0.279) 13.129 11.286 ( 4.230 -8.332 -0.536) 9.359 ======================= Grid point 321 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -6.458 5.919 -0.967) 8.813 1.397 ( -7.047 10.805 -3.723) 13.427 1.558 ( -1.453 -2.028 -1.789) 3.070 1.583 ( 3.110 -2.656 1.112) 4.238 1.603 ( -1.213 0.528 0.523) 1.423 1.762 ( 4.834 -7.279 -1.195) 8.819 1.853 ( 5.041 -1.738 1.200) 5.465 1.995 ( -0.556 -1.056 -0.837) 1.458 2.170 ( -3.398 5.839 0.595) 6.782 2.279 ( 3.983 -3.562 0.625) 5.380 2.364 ( 1.326 -6.741 -2.267) 7.234 2.723 ( 1.765 -1.232 -0.904) 2.335 2.789 ( -2.249 3.833 0.114) 4.446 3.581 ( -10.369 9.286 -0.543) 13.930 3.993 ( 13.817 -11.509 -0.181) 17.984 7.536 ( -0.088 -0.337 0.028) 0.349 7.683 ( 2.630 -0.596 -1.622) 3.146 7.932 ( -0.417 0.026 -0.471) 0.629 8.410 ( -0.101 1.865 0.216) 1.880 8.622 ( 0.664 -0.209 -0.537) 0.879 8.804 ( 3.591 1.202 0.495) 3.819 8.937 ( -2.717 -1.330 -2.780) 4.109 9.394 ( -6.862 4.085 0.933) 8.040 9.528 ( -0.772 1.768 0.031) 1.929 9.572 ( 3.899 -2.293 0.286) 4.533 10.902 ( -6.118 8.704 0.334) 10.644 11.126 ( 5.774 -7.843 -0.632) 9.759 ======================= Grid point 322 (125/171) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 4.811 -0.000 -3.037) 5.689 1.424 ( 11.582 0.000 -1.770) 11.716 1.549 ( -1.045 -0.000 -2.574) 2.778 1.565 ( -7.562 -0.000 -3.205) 8.213 1.655 ( -4.613 -0.000 0.156) 4.616 1.676 ( 2.754 0.000 1.279) 3.036 1.856 ( -5.253 -0.000 2.670) 5.893 1.978 ( 0.897 -0.000 -0.652) 1.109 2.167 ( 5.431 0.000 3.258) 6.334 2.324 ( -1.366 -0.000 -3.584) 3.835 2.348 ( -13.074 -0.000 -0.411) 13.081 2.699 ( -0.713 -0.000 -1.061) 1.279 2.798 ( 3.532 0.000 -0.082) 3.533 3.626 ( 17.492 0.000 -0.072) 17.492 3.900 ( -17.019 -0.000 -0.722) 17.034 7.557 ( -2.906 -0.000 -0.385) 2.932 7.627 ( 2.632 0.000 -1.370) 2.967 7.935 ( -0.553 -0.000 -0.855) 1.019 8.395 ( 3.168 0.000 0.330) 3.185 8.606 ( 0.432 -0.000 -0.897) 0.995 8.773 ( 2.156 0.000 1.413) 2.578 8.947 ( -2.412 -0.000 -3.329) 4.111 9.463 ( 6.669 0.000 -0.002) 6.669 9.530 ( -6.553 -0.000 0.793) 6.601 9.539 ( 2.228 0.000 0.577) 2.301 10.923 ( 11.171 0.000 -0.940) 11.211 11.098 ( -9.641 -0.000 0.836) 9.677 ======================= Grid point 329 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.000 9.216 1.458) 9.330 0.817 ( 0.000 17.573 0.095) 17.574 1.541 ( 0.000 0.885 0.444) 0.990 1.551 ( -0.000 -3.691 -1.540) 3.999 1.690 ( 0.000 18.578 0.333) 18.581 1.750 ( 0.000 3.013 4.049) 5.047 1.947 ( 0.000 -0.610 0.627) 0.875 2.130 ( 0.000 8.189 0.206) 8.191 2.194 ( -0.000 -1.580 -2.969) 3.363 2.377 ( -0.000 -6.608 -3.936) 7.691 2.473 ( -0.000 -11.489 1.472) 11.583 2.940 ( -0.000 -3.949 -0.690) 4.009 3.024 ( -0.000 -12.770 0.103) 12.770 3.324 ( -0.000 -8.636 -0.299) 8.641 4.691 ( -0.000 -9.780 -0.134) 9.781 7.644 ( 0.000 -0.949 0.594) 1.119 7.849 ( -0.000 -3.652 -0.136) 3.654 7.908 ( -0.000 0.233 -0.359) 0.428 8.192 ( 0.000 2.805 -0.036) 2.805 8.665 ( 0.000 -0.678 0.368) 0.771 8.823 ( -0.000 3.997 -3.100) 5.058 8.917 ( 0.000 11.494 2.036) 11.673 9.011 ( -0.000 0.059 -0.874) 0.876 9.265 ( 0.000 5.118 0.031) 5.118 9.727 ( -0.000 -0.822 -0.088) 0.827 10.329 ( 0.000 16.970 0.583) 16.980 11.505 ( -0.000 -7.748 -0.614) 7.773 ======================= Grid point 330 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -6.301 8.078 1.231) 10.318 0.986 ( -1.678 17.153 -1.771) 17.325 1.526 ( -2.286 -3.197 -1.810) 4.327 1.562 ( -0.952 0.224 1.474) 1.769 1.713 ( 2.568 -1.507 3.553) 4.635 1.903 ( -0.049 13.304 -0.292) 13.307 1.968 ( -2.093 -0.556 0.908) 2.348 2.068 ( 7.863 3.697 -1.965) 8.908 2.211 ( 2.644 -16.252 -2.576) 16.666 2.289 ( -3.734 5.414 -1.079) 6.665 2.449 ( -3.034 3.961 -0.670) 5.034 2.830 ( 7.687 -14.295 0.073) 16.231 2.880 ( 2.405 -3.619 -0.906) 4.439 3.296 ( -6.912 -8.452 -0.506) 10.930 4.547 ( 7.304 -8.713 -0.172) 11.371 7.617 ( 3.125 -0.262 0.708) 3.215 7.781 ( 2.713 -2.382 -1.195) 3.803 7.923 ( -1.032 -0.529 -0.342) 1.209 8.258 ( -4.639 2.680 0.107) 5.359 8.655 ( 0.829 -0.498 0.209) 0.989 8.829 ( -0.870 1.537 -3.130) 3.594 8.965 ( 3.321 -0.433 -0.821) 3.449 9.072 ( -3.350 11.512 1.493) 12.082 9.353 ( -4.596 4.309 -0.125) 6.301 9.704 ( 1.250 -1.983 -0.063) 2.345 10.514 ( -3.601 15.070 0.564) 15.505 11.408 ( 2.129 -8.303 -0.778) 8.607 ======================= Grid point 331 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -8.994 7.371 0.368) 11.634 1.156 ( -4.127 14.761 -3.795) 15.790 1.523 ( -2.717 -2.997 -2.619) 4.819 1.594 ( -0.750 0.421 1.947) 2.128 1.683 ( 3.538 -1.087 4.228) 5.619 1.891 ( 4.574 -6.954 -3.381) 8.984 1.955 ( 0.366 -1.474 -0.150) 1.526 2.009 ( 4.018 -5.745 -1.558) 7.182 2.078 ( 0.294 7.993 0.520) 8.015 2.305 ( 0.606 -0.126 -1.972) 2.067 2.557 ( 7.119 -12.681 -0.259) 14.545 2.633 ( -5.248 9.476 -0.099) 10.833 2.795 ( 3.163 -2.938 -0.877) 4.405 3.375 ( -10.394 -2.362 -0.650) 10.678 4.303 ( 13.166 -8.570 -0.164) 15.710 7.566 ( 3.077 -0.296 0.508) 3.132 7.713 ( 2.031 -1.624 -2.114) 3.351 7.925 ( -0.365 -0.350 -0.275) 0.575 8.358 ( -3.798 2.750 0.288) 4.697 8.635 ( 1.101 -0.401 -0.357) 1.225 8.827 ( 0.925 2.287 -2.104) 3.243 8.911 ( 0.489 -2.199 -1.160) 2.534 9.246 ( -5.790 7.871 1.115) 9.835 9.461 ( -4.060 3.513 -0.054) 5.370 9.651 ( 2.634 -2.804 0.021) 3.847 10.716 ( -5.707 11.634 0.451) 12.966 11.275 ( 4.270 -8.174 -0.848) 9.261 ======================= Grid point 332 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -5.162 5.241 -0.996) 7.424 1.329 ( -6.870 10.747 -4.667) 13.582 1.503 ( -1.943 -3.878 -4.066) 5.946 1.612 ( 1.411 -1.182 0.771) 1.996 1.622 ( 4.443 -2.847 2.021) 5.651 1.747 ( 2.927 -3.674 -0.095) 4.698 1.871 ( 2.966 -1.399 1.061) 3.447 1.984 ( -0.800 -1.562 -0.479) 1.820 2.170 ( -4.004 5.962 -0.813) 7.228 2.281 ( 0.140 -0.513 -1.008) 1.140 2.337 ( 5.062 -9.933 -0.417) 11.156 2.707 ( 1.670 -1.223 -1.025) 2.310 2.789 ( -2.249 3.638 -0.165) 4.280 3.571 ( -10.718 8.914 -0.665) 13.957 3.990 ( 14.099 -11.220 -0.156) 18.019 7.537 ( 0.436 -0.227 0.018) 0.492 7.652 ( 1.987 -0.992 -2.269) 3.175 7.926 ( -0.179 -0.059 -0.226) 0.294 8.414 ( -0.111 1.854 0.408) 1.901 8.611 ( 0.893 -0.245 -0.854) 1.259 8.811 ( 2.441 2.089 0.208) 3.220 8.892 ( -2.333 -2.402 -2.672) 4.284 9.408 ( -6.588 4.204 0.811) 7.857 9.530 ( -0.890 1.542 0.246) 1.798 9.575 ( 3.556 -2.212 0.097) 4.189 10.908 ( -5.936 8.746 0.380) 10.577 11.115 ( 5.440 -7.868 -0.739) 9.594 ======================= Grid point 333 (130/171) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 6.515 0.000 -2.831) 7.104 1.381 ( 9.833 0.000 -3.319) 10.378 1.506 ( -9.760 -0.000 -3.737) 10.451 1.509 ( 1.359 -0.000 -2.474) 2.823 1.670 ( -4.875 -0.000 1.224) 5.026 1.713 ( 2.401 0.000 3.370) 4.138 1.891 ( -4.812 -0.000 1.856) 5.157 1.975 ( 0.252 0.000 0.239) 0.347 2.193 ( 4.921 0.000 -1.318) 5.095 2.279 ( -1.100 -0.000 -0.790) 1.354 2.341 ( -13.082 -0.000 -0.475) 13.090 2.681 ( -0.620 -0.000 -1.190) 1.342 2.796 ( 3.597 0.000 -0.221) 3.603 3.626 ( 17.530 0.000 0.048) 17.530 3.888 ( -17.108 -0.000 -0.736) 17.123 7.551 ( -2.548 -0.000 -0.383) 2.577 7.601 ( 1.823 -0.000 -1.802) 2.563 7.925 ( 0.006 -0.000 -0.349) 0.349 8.402 ( 3.127 0.000 0.541) 3.173 8.590 ( 0.537 -0.000 -1.103) 1.227 8.796 ( 1.629 0.000 1.429) 2.167 8.894 ( -2.395 -0.000 -3.131) 3.942 9.464 ( 6.808 0.000 0.066) 6.809 9.541 ( -6.401 -0.000 0.575) 6.427 9.548 ( 1.949 0.000 0.430) 1.996 10.908 ( 11.240 0.000 -0.924) 11.278 11.111 ( -10.010 -0.000 0.826) 10.044 ======================= Grid point 340 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 0.000 8.126 2.409) 8.475 0.819 ( 0.000 14.445 0.141) 14.446 1.519 ( -0.000 -2.668 -2.468) 3.634 1.550 ( 0.000 4.096 0.608) 4.141 1.705 ( 0.000 15.288 1.468) 15.359 1.826 ( 0.000 1.637 5.402) 5.644 1.959 ( 0.000 -1.081 0.892) 1.402 2.128 ( -0.000 -0.526 -5.250) 5.276 2.135 ( 0.000 8.220 0.341) 8.227 2.318 ( -0.000 -7.263 -3.355) 8.000 2.482 ( -0.000 -11.766 -0.308) 11.770 2.926 ( -0.000 -4.136 -1.125) 4.286 3.026 ( -0.000 -12.754 0.163) 12.755 3.318 ( -0.000 -8.970 -0.486) 8.983 4.688 ( -0.000 -9.813 -0.176) 9.815 7.654 ( 0.000 -1.185 0.600) 1.328 7.848 ( -0.000 -4.628 0.100) 4.629 7.900 ( -0.000 0.178 -0.577) 0.604 8.191 ( 0.000 2.816 -0.050) 2.817 8.673 ( 0.000 -0.727 0.585) 0.933 8.775 ( -0.000 2.680 -2.918) 3.962 8.942 ( 0.000 11.280 1.037) 11.327 8.993 ( -0.000 0.729 -1.314) 1.503 9.266 ( 0.000 5.111 0.049) 5.111 9.725 ( -0.000 -0.718 -0.197) 0.744 10.342 ( 0.000 16.628 0.940) 16.654 11.492 ( -0.000 -7.657 -0.941) 7.715 ======================= Grid point 341 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -5.918 7.020 1.652) 9.329 0.952 ( -1.038 14.692 -2.383) 14.921 1.493 ( -1.606 -2.216 -2.318) 3.587 1.592 ( -0.911 1.269 2.273) 2.758 1.774 ( 2.474 0.763 4.009) 4.772 1.897 ( 0.321 7.173 -0.669) 7.212 1.971 ( -0.403 -3.330 -0.812) 3.451 2.038 ( 5.561 7.151 -1.498) 9.182 2.172 ( 1.951 -15.232 -2.001) 15.486 2.271 ( -3.000 4.802 -1.145) 5.776 2.434 ( -3.276 4.290 -1.295) 5.552 2.832 ( 7.659 -14.144 0.097) 16.085 2.863 ( 2.220 -3.951 -1.187) 4.685 3.287 ( -7.063 -8.790 -0.629) 11.294 4.544 ( 7.315 -8.677 -0.164) 11.350 7.627 ( 2.978 -0.247 0.462) 3.023 7.762 ( 3.524 -3.303 -1.083) 4.950 7.917 ( -1.262 -0.734 -0.390) 1.511 8.260 ( -4.879 2.659 0.173) 5.559 8.658 ( 1.370 -0.566 0.080) 1.484 8.779 ( -1.511 0.914 -2.958) 3.445 8.950 ( 2.712 -0.442 -0.980) 2.917 9.092 ( -3.310 11.346 0.966) 11.859 9.351 ( -4.469 4.350 -0.113) 6.238 9.702 ( 1.168 -1.939 -0.149) 2.269 10.524 ( -3.535 14.722 0.698) 15.156 11.394 ( 2.187 -8.136 -0.923) 8.475 ======================= Grid point 342 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -8.152 6.618 0.565) 10.515 1.093 ( -3.961 13.355 -3.936) 14.475 1.479 ( -1.444 -2.385 -2.851) 3.988 1.628 ( 0.059 0.127 2.218) 2.223 1.756 ( 4.109 -1.161 4.738) 6.378 1.835 ( 2.917 -7.169 -3.352) 8.434 1.951 ( 0.376 -2.405 -0.397) 2.466 1.986 ( 3.115 -3.303 -1.265) 4.713 2.075 ( 0.617 6.095 -1.147) 6.233 2.275 ( 0.217 -0.677 -1.612) 1.762 2.553 ( 6.148 -10.377 -0.287) 12.064 2.635 ( -4.332 7.601 0.297) 8.754 2.778 ( 2.872 -3.039 -1.191) 4.347 3.364 ( -10.545 -2.698 -0.649) 10.904 4.301 ( 13.220 -8.440 -0.111) 15.685 7.573 ( 3.519 -0.103 0.355) 3.538 7.680 ( 2.043 -2.482 -2.007) 3.790 7.922 ( -0.562 -0.447 -0.176) 0.739 8.363 ( -3.899 2.746 0.385) 4.785 8.627 ( 1.487 -0.508 -0.636) 1.695 8.791 ( -1.009 1.577 -2.215) 2.901 8.899 ( 1.450 -1.904 -0.516) 2.448 9.260 ( -5.704 7.858 0.714) 9.736 9.460 ( -4.294 3.501 -0.000) 5.540 9.650 ( 2.491 -2.833 -0.068) 3.773 10.724 ( -5.712 11.395 0.449) 12.754 11.262 ( 4.321 -7.988 -0.824) 9.119 ======================= Grid point 343 (134/171) ======================= q-point: ( 0.80 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -3.885 4.511 -0.415) 5.967 1.259 ( -6.685 10.554 -4.086) 13.144 1.442 ( -1.330 -4.636 -3.422) 5.914 1.618 ( 4.315 -3.885 -0.256) 5.812 1.632 ( 2.811 -3.346 -0.117) 4.371 1.776 ( 1.965 -0.411 3.408) 3.955 1.885 ( 1.242 -0.840 0.764) 1.683 1.980 ( -1.030 -1.519 -0.127) 1.840 2.140 ( -3.398 6.198 -2.906) 7.642 2.255 ( -1.692 -3.977 -1.572) 4.599 2.350 ( 5.730 -6.820 1.374) 9.013 2.692 ( 1.874 -1.620 -0.857) 2.621 2.785 ( -2.456 3.782 -0.300) 4.520 3.562 ( -11.099 8.493 -0.536) 13.986 3.988 ( 14.383 -10.891 -0.071) 18.041 7.537 ( 0.947 -0.052 -0.020) 0.948 7.618 ( 1.548 -1.489 -1.944) 2.897 7.925 ( -0.132 -0.093 0.017) 0.162 8.422 ( -0.174 1.873 0.513) 1.950 8.596 ( 1.074 -0.325 -0.948) 1.469 8.806 ( 0.157 2.872 -0.880) 3.008 8.863 ( -0.650 -3.350 -0.866) 3.521 9.418 ( -6.411 4.303 0.463) 7.735 9.535 ( -1.285 1.619 0.377) 2.101 9.575 ( 3.519 -2.420 -0.141) 4.273 10.913 ( -5.649 8.767 0.276) 10.433 11.105 ( 5.006 -7.878 -0.558) 9.350 ======================= Grid point 344 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 7.921 0.000 -1.687) 8.099 1.333 ( 7.913 0.000 -2.467) 8.289 1.458 ( -11.091 -0.000 -2.252) 11.318 1.476 ( 3.683 0.000 -1.652) 4.037 1.686 ( -5.512 -0.000 0.767) 5.565 1.770 ( 1.714 0.000 3.450) 3.852 1.914 ( -4.430 -0.000 0.979) 4.537 1.985 ( -0.490 0.000 1.051) 1.160 2.134 ( 3.342 -0.000 -4.675) 5.747 2.296 ( 1.063 0.000 1.547) 1.877 2.334 ( -13.149 -0.000 -0.331) 13.153 2.664 ( -0.587 -0.000 -0.886) 1.063 2.792 ( 3.663 0.000 -0.173) 3.667 3.627 ( 17.532 0.000 0.087) 17.532 3.878 ( -17.180 -0.000 -0.462) 17.186 7.546 ( -2.259 -0.000 -0.236) 2.271 7.575 ( 1.293 -0.000 -1.282) 1.820 7.923 ( 0.337 0.000 -0.014) 0.338 8.410 ( 3.115 0.000 0.506) 3.156 8.574 ( 0.559 -0.000 -0.860) 1.026 8.814 ( 1.164 0.000 0.894) 1.468 8.854 ( -2.304 -0.000 -1.850) 2.954 9.465 ( 7.027 0.000 0.059) 7.028 9.547 ( -6.316 -0.000 0.269) 6.322 9.553 ( 1.663 0.000 0.207) 1.676 10.896 ( 11.296 0.000 -0.564) 11.310 11.122 ( -10.311 -0.000 0.506) 10.323 ======================= Grid point 345 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 8.481 0.000 -0.000) 8.481 1.313 ( 7.294 0.000 -0.000) 7.294 1.440 ( -11.609 -0.000 0.000) 11.609 1.462 ( 4.350 0.000 -0.000) 4.350 1.692 ( -5.761 -0.000 0.000) 5.761 1.801 ( 1.360 0.000 -0.000) 1.360 1.921 ( -4.271 -0.000 0.000) 4.271 2.000 ( -1.633 -0.000 0.000) 1.633 2.086 ( 4.300 0.000 -0.000) 4.300 2.309 ( 1.382 0.000 -0.000) 1.382 2.332 ( -13.191 -0.000 0.000) 13.191 2.657 ( -0.562 -0.000 0.000) 0.562 2.791 ( 3.677 0.000 -0.000) 3.677 3.628 ( 17.527 0.000 -0.000) 17.527 3.875 ( -17.207 -0.000 0.000) 17.207 7.544 ( -2.148 -0.000 0.000) 2.148 7.565 ( 1.123 0.000 -0.000) 1.123 7.923 ( 0.432 0.000 -0.000) 0.432 8.415 ( 3.126 0.000 -0.000) 3.126 8.567 ( 0.539 0.000 -0.000) 0.539 8.822 ( 0.976 0.000 -0.000) 0.976 8.840 ( -2.249 -0.000 0.000) 2.249 9.465 ( 7.136 0.000 -0.000) 7.136 9.549 ( -6.291 -0.000 0.000) 6.291 9.554 ( 1.541 0.000 -0.000) 1.541 10.892 ( 11.318 0.000 -0.000) 11.318 11.126 ( -10.427 -0.000 0.000) 10.427 ======================= Grid point 351 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -0.000 6.774 2.506) 7.223 0.821 ( -0.000 10.153 0.178) 10.155 1.479 ( -0.000 -1.473 -2.505) 2.906 1.559 ( 0.000 8.768 0.445) 8.779 1.734 ( 0.000 10.359 2.216) 10.593 1.906 ( -0.000 0.171 4.358) 4.361 1.973 ( -0.000 -1.473 0.780) 1.667 2.038 ( -0.000 1.409 -5.931) 6.096 2.140 ( -0.000 8.225 0.350) 8.232 2.281 ( -0.000 -7.525 -1.004) 7.592 2.464 ( 0.000 -12.927 -2.036) 13.087 2.908 ( 0.000 -4.367 -1.139) 4.513 3.028 ( -0.000 -12.739 0.160) 12.740 3.310 ( -0.000 -9.391 -0.491) 9.404 4.686 ( -0.000 -9.846 -0.130) 9.846 7.660 ( 0.000 -1.737 0.150) 1.744 7.854 ( 0.000 -5.454 0.520) 5.479 7.891 ( -0.000 0.109 -0.572) 0.582 8.190 ( -0.000 2.829 -0.041) 2.830 8.682 ( -0.000 -0.785 0.574) 0.972 8.734 ( 0.000 0.900 -2.247) 2.421 8.950 ( -0.000 9.429 0.104) 9.430 8.973 ( 0.000 3.359 -1.134) 3.545 9.267 ( -0.000 5.102 0.048) 5.102 9.721 ( -0.000 -0.613 -0.247) 0.661 10.357 ( -0.000 16.211 0.936) 16.238 11.477 ( -0.000 -7.578 -0.886) 7.630 ======================= Grid point 352 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -5.689 5.853 1.518) 8.303 0.916 ( -0.441 11.966 -2.105) 12.158 1.458 ( -0.767 -1.102 -1.957) 2.373 1.630 ( -0.956 2.638 2.547) 3.790 1.818 ( 0.660 4.892 0.555) 4.968 1.889 ( 1.904 -3.156 0.684) 3.749 1.953 ( 2.504 0.952 -0.887) 2.822 2.015 ( 2.378 5.521 -1.857) 6.292 2.158 ( 1.869 -15.140 0.193) 15.256 2.255 ( -1.724 3.486 -1.016) 4.020 2.411 ( -4.573 6.282 -1.425) 7.900 2.833 ( 7.169 -13.187 0.044) 15.010 2.845 ( 2.571 -5.063 -0.987) 5.763 3.278 ( -7.221 -9.134 -0.511) 11.655 4.542 ( 7.332 -8.630 -0.093) 11.324 7.630 ( 2.414 -0.604 -0.120) 2.491 7.750 ( 4.746 -3.785 -0.396) 6.083 7.911 ( -1.487 -0.945 -0.287) 1.785 8.263 ( -5.163 2.630 0.181) 5.797 8.656 ( 1.968 -0.709 -0.286) 2.112 8.742 ( -1.958 0.201 -1.767) 2.645 8.936 ( 2.086 -0.466 -0.771) 2.272 9.102 ( -3.444 11.427 0.386) 11.940 9.350 ( -4.374 4.370 -0.064) 6.183 9.700 ( 1.086 -1.918 -0.169) 2.210 10.535 ( -3.471 14.373 0.565) 14.797 11.381 ( 2.249 -7.988 -0.718) 8.329 ======================= Grid point 353 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -7.272 6.443 0.715) 9.742 1.040 ( -4.217 11.609 -2.760) 12.656 1.440 ( -0.296 -1.890 -1.908) 2.702 1.660 ( 1.294 -0.476 1.817) 2.281 1.771 ( 2.399 -7.932 -2.358) 8.616 1.847 ( 3.070 -0.295 4.376) 5.354 1.942 ( 1.162 -4.341 -0.658) 4.542 1.974 ( 1.372 0.756 -0.198) 1.579 2.040 ( 1.473 3.447 -3.131) 4.884 2.258 ( -0.244 -0.997 -0.565) 1.172 2.549 ( 5.134 -8.138 -0.205) 9.624 2.641 ( -3.800 5.940 0.482) 7.068 2.760 ( 2.962 -3.251 -0.989) 4.507 3.356 ( -10.679 -2.983 -0.401) 11.095 4.300 ( 13.266 -8.321 -0.042) 15.660 7.576 ( 3.573 0.022 0.030) 3.573 7.655 ( 2.421 -3.148 -1.059) 4.110 7.920 ( -0.793 -0.500 -0.075) 0.941 8.369 ( -4.043 2.757 0.308) 4.903 8.616 ( 1.700 -0.664 -0.616) 1.926 8.763 ( -1.566 1.013 -1.213) 2.225 8.893 ( 1.447 -1.629 -0.207) 2.189 9.268 ( -5.708 7.875 0.301) 9.731 9.461 ( -4.500 3.503 0.024) 5.703 9.649 ( 2.393 -2.884 -0.082) 3.749 10.729 ( -5.712 11.199 0.277) 12.574 11.251 ( 4.364 -7.843 -0.498) 8.989 ======================= Grid point 354 (140/171) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -2.755 3.626 0.212) 4.559 1.210 ( -6.933 10.793 -1.916) 12.970 1.404 ( -1.141 -5.106 -1.358) 5.405 1.606 ( 6.791 -7.120 -0.669) 9.862 1.634 ( 0.221 -0.466 0.153) 0.538 1.828 ( 2.332 -0.805 2.350) 3.407 1.893 ( 0.298 -0.448 0.283) 0.608 1.979 ( -0.942 -0.571 0.048) 1.103 2.094 ( -3.058 5.597 -2.181) 6.740 2.240 ( -1.952 -5.276 -0.458) 5.644 2.367 ( 5.020 -5.122 0.648) 7.201 2.682 ( 2.137 -2.030 -0.350) 2.968 2.781 ( -2.655 3.984 -0.146) 4.790 3.556 ( -11.348 8.208 -0.205) 14.007 3.987 ( 14.559 -10.669 -0.014) 18.050 7.536 ( 1.243 0.127 -0.031) 1.250 7.596 ( 1.376 -1.875 -0.741) 2.440 7.925 ( -0.182 -0.099 0.041) 0.211 8.429 ( -0.256 1.924 0.267) 1.959 8.584 ( 1.157 -0.423 -0.460) 1.315 8.792 ( -1.135 2.275 -0.577) 2.607 8.858 ( 0.358 -2.841 -0.031) 2.864 9.423 ( -6.338 4.353 0.141) 7.690 9.540 ( -1.844 1.980 0.215) 2.714 9.572 ( 3.829 -2.856 -0.135) 4.779 10.916 ( -5.408 8.763 0.097) 10.298 11.099 ( 4.677 -7.870 -0.203) 9.157 ======================= Grid point 362 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -0.000 5.642 1.621) 5.870 0.824 ( -0.000 6.343 0.146) 6.345 1.446 ( -0.000 -0.496 -1.600) 1.675 1.563 ( 0.000 13.022 0.187) 13.023 1.772 ( 0.000 4.476 2.448) 5.102 1.946 ( -0.000 -1.453 -2.045) 2.508 1.961 ( -0.000 5.003 -0.888) 5.081 1.982 ( -0.000 -1.677 0.438) 1.734 2.145 ( -0.000 8.203 0.221) 8.206 2.290 ( -0.000 -6.246 1.971) 6.550 2.422 ( 0.000 -15.242 -3.124) 15.559 2.893 ( 0.000 -4.559 -0.712) 4.614 3.030 ( -0.000 -12.729 0.098) 12.730 3.303 ( -0.000 -9.739 -0.306) 9.744 4.684 ( -0.000 -9.861 -0.058) 9.861 7.660 ( 0.000 -2.433 -0.105) 2.436 7.862 ( 0.000 -5.798 0.513) 5.820 7.884 ( -0.000 0.054 -0.351) 0.355 8.190 ( 0.000 2.840 -0.021) 2.840 8.689 ( 0.000 -0.830 0.349) 0.901 8.707 ( 0.000 -0.446 -1.232) 1.311 8.947 ( -0.000 2.750 -0.356) 2.772 8.960 ( 0.000 10.620 -0.481) 10.631 9.267 ( 0.000 5.093 0.029) 5.093 9.718 ( -0.000 -0.553 -0.171) 0.579 10.369 ( -0.000 15.880 0.576) 15.890 11.466 ( -0.000 -7.533 -0.524) 7.551 ======================= Grid point 363 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -5.868 4.966 0.710) 7.720 0.891 ( 0.150 10.241 -0.924) 10.284 1.436 ( -0.185 -0.385 -0.777) 0.887 1.665 ( -0.951 4.654 1.539) 4.993 1.798 ( -0.514 -1.155 -1.582) 2.025 1.921 ( 3.734 3.921 2.257) 5.866 1.948 ( 2.285 1.418 0.376) 2.715 1.978 ( 1.104 0.753 -2.612) 2.933 2.169 ( 3.257 -17.002 0.775) 17.329 2.241 ( -1.136 3.202 -0.627) 3.455 2.394 ( -6.181 8.835 -0.650) 10.802 2.831 ( 2.702 -5.269 -0.255) 5.926 2.836 ( 6.999 -13.063 -0.122) 14.820 3.272 ( -7.322 -9.350 -0.196) 11.877 4.541 ( 7.345 -8.594 -0.026) 11.306 7.627 ( 1.968 -1.124 -0.173) 2.273 7.747 ( 5.585 -3.746 -0.028) 6.725 7.908 ( -1.612 -1.083 -0.102) 1.945 8.265 ( -5.369 2.609 0.081) 5.970 8.651 ( 2.191 -0.905 -0.265) 2.385 8.725 ( -2.015 -0.146 -0.481) 2.077 8.928 ( 1.707 -0.491 -0.290) 1.800 9.105 ( -3.571 11.528 0.080) 12.069 9.349 ( -4.330 4.373 -0.019) 6.154 9.698 ( 1.037 -1.916 -0.074) 2.180 10.541 ( -3.434 14.158 0.216) 14.570 11.373 ( 2.290 -7.903 -0.268) 8.233 ======================= Grid point 364 (143/171) ======================= q-point: ( 0.90 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -8.478 4.656 0.000) 9.672 1.011 ( -2.822 12.600 0.000) 12.912 1.424 ( 0.168 -1.709 -0.000) 1.717 1.677 ( 2.319 -0.740 -0.000) 2.434 1.749 ( 1.097 -8.151 -0.000) 8.224 1.893 ( 3.335 -0.887 -0.000) 3.451 1.935 ( 1.050 -4.438 -0.000) 4.561 1.982 ( 0.030 9.178 0.000) 9.178 1.998 ( 2.808 -4.228 -0.000) 5.075 2.254 ( -0.421 -1.087 0.000) 1.165 2.547 ( 4.741 -7.284 -0.000) 8.691 2.646 ( -3.775 5.413 0.000) 6.599 2.752 ( 3.159 -3.423 -0.000) 4.658 3.353 ( -10.733 -3.095 0.000) 11.170 4.299 ( 13.283 -8.273 -0.000) 15.649 7.576 ( 3.448 0.000 -0.000) 3.448 7.647 ( 2.723 -3.330 -0.000) 4.301 7.919 ( -0.894 -0.516 0.000) 1.032 8.371 ( -4.119 2.769 0.000) 4.963 8.611 ( 1.745 -0.750 -0.000) 1.899 8.754 ( -1.616 0.835 0.000) 1.819 8.892 ( 1.352 -1.543 -0.000) 2.051 9.270 ( -5.722 7.886 0.000) 9.743 9.461 ( -4.582 3.507 0.000) 5.771 9.648 ( 2.361 -2.910 -0.000) 3.747 10.732 ( -5.711 11.123 0.000) 12.503 11.247 ( 4.380 -7.790 -0.000) 8.937 ======================= Grid point 374 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 0.000 5.192 0.000) 5.192 0.825 ( 0.000 4.809 0.000) 4.809 1.433 ( -0.000 -0.109 0.000) 0.109 1.565 ( 0.000 14.755 0.000) 14.755 1.797 ( -0.000 -0.157 -0.000) 0.157 1.907 ( 0.000 6.482 0.000) 6.482 1.968 ( -0.000 -0.009 0.000) 0.009 1.986 ( -0.000 -1.734 0.000) 1.734 2.147 ( 0.000 8.189 0.000) 8.189 2.319 ( -0.000 -1.227 0.000) 1.227 2.386 ( -0.000 -20.486 0.000) 20.486 2.887 ( -0.000 -4.634 -0.000) 4.634 3.031 ( -0.000 -12.726 0.000) 12.726 3.301 ( -0.000 -9.873 0.000) 9.873 4.684 ( -0.000 -9.864 0.000) 9.864 7.659 ( -0.000 -2.749 0.000) 2.749 7.867 ( -0.000 -5.865 0.000) 5.865 7.881 ( 0.000 0.032 0.000) 0.032 8.189 ( 0.000 2.843 0.000) 2.843 8.692 ( -0.000 -0.847 0.000) 0.847 8.697 ( -0.000 -0.942 0.000) 0.942 8.944 ( -0.000 -0.149 -0.000) 0.149 8.957 ( 0.000 13.730 0.000) 13.730 9.267 ( 0.000 5.090 0.000) 5.090 9.716 ( -0.000 -0.536 0.000) 0.536 10.374 ( 0.000 15.754 0.000) 15.754 11.462 ( -0.000 -7.518 0.000) 7.518 ======================= Grid point 392 (145/171) ======================= q-point: ( 0.40 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 3.346 -0.000 2.059) 3.929 1.435 ( 10.247 0.000 0.015) 10.247 1.586 ( -3.850 0.000 -0.199) 3.855 1.587 ( 2.465 -0.000 2.138) 3.262 1.667 ( -0.210 -0.000 -0.147) 0.257 1.685 ( -6.070 0.000 3.689) 7.103 1.808 ( -5.727 -0.000 -3.473) 6.698 1.996 ( 1.005 0.000 1.680) 1.957 2.113 ( 6.287 -0.000 -3.437) 7.165 2.353 ( -13.120 0.000 0.225) 13.122 2.370 ( -0.988 -0.000 2.110) 2.330 2.713 ( -0.991 -0.000 0.676) 1.200 2.798 ( 3.613 -0.000 -0.068) 3.614 3.628 ( 17.428 -0.000 0.107) 17.428 3.909 ( -16.947 -0.000 0.439) 16.952 7.562 ( -3.196 -0.000 0.239) 3.205 7.642 ( 3.358 -0.000 0.600) 3.411 7.949 ( -1.075 -0.000 0.816) 1.349 8.391 ( 3.204 -0.000 -0.132) 3.207 8.617 ( 0.314 -0.000 0.489) 0.581 8.754 ( 2.550 -0.000 -0.869) 2.694 8.991 ( -2.339 0.000 2.189) 3.203 9.464 ( 6.685 0.000 0.064) 6.685 9.518 ( -6.734 -0.000 -0.635) 6.764 9.531 ( 2.364 -0.000 -0.460) 2.408 10.936 ( 11.117 -0.000 0.588) 11.132 11.087 ( -9.345 -0.000 -0.521) 9.360 ======================= Grid point 404 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -7.313 6.332 0.395) 9.681 1.438 ( -6.838 10.543 1.393) 12.644 1.544 ( 3.211 -0.135 -0.934) 3.347 1.596 ( -1.783 0.438 -0.003) 1.836 1.606 ( -3.813 -2.363 1.090) 4.616 1.777 ( 5.717 -9.830 0.571) 11.386 1.836 ( 6.861 -1.212 -0.730) 7.005 2.007 ( -0.560 -0.592 0.500) 0.956 2.159 ( -2.131 5.664 -0.494) 6.071 2.272 ( 4.354 -5.162 -0.237) 6.757 2.391 ( 0.411 -5.023 0.949) 5.128 2.733 ( 2.109 -1.657 0.408) 2.713 2.786 ( -2.499 4.352 -0.145) 5.020 3.587 ( -10.173 9.490 0.209) 13.914 3.995 ( 13.647 -11.666 0.082) 17.954 7.536 ( -0.414 -0.388 -0.012) 0.568 7.701 ( 3.127 -0.399 0.550) 3.200 7.938 ( -0.661 0.119 0.267) 0.723 8.407 ( -0.113 1.878 -0.063) 1.882 8.627 ( 0.507 -0.196 0.180) 0.572 8.798 ( 4.106 0.870 -0.219) 4.203 8.970 ( -2.661 -0.878 1.184) 3.042 9.382 ( -7.108 4.004 -0.450) 8.171 9.528 ( -0.895 2.108 0.043) 2.291 9.568 ( 4.317 -2.541 -0.174) 5.012 10.898 ( -6.186 8.671 -0.133) 10.653 11.133 ( 5.939 -7.823 0.249) 9.825 ======================= Grid point 405 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 2.728 -0.000 -0.000) 2.728 1.434 ( 9.220 -0.000 -0.000) 9.220 1.582 ( -2.790 0.000 0.000) 2.790 1.606 ( 7.012 -0.000 -0.000) 7.012 1.666 ( -4.178 -0.000 0.000) 4.178 1.747 ( 2.417 -0.000 -0.000) 2.417 1.749 ( -14.522 -0.000 0.000) 14.522 2.018 ( -0.785 -0.000 0.000) 0.785 2.077 ( 8.618 -0.000 -0.000) 8.618 2.355 ( -13.149 0.000 0.000) 13.149 2.387 ( -0.843 -0.000 0.000) 0.843 2.719 ( -1.201 -0.000 0.000) 1.201 2.797 ( 3.722 -0.000 -0.000) 3.722 3.629 ( 17.395 -0.000 -0.000) 17.395 3.913 ( -16.919 -0.000 0.000) 16.919 7.564 ( -3.307 -0.000 0.000) 3.307 7.646 ( 3.637 -0.000 -0.000) 3.637 7.956 ( -1.275 -0.000 0.000) 1.275 8.390 ( 3.217 -0.000 -0.000) 3.217 8.621 ( 0.265 -0.000 -0.000) 0.265 8.747 ( 2.694 -0.000 -0.000) 2.694 9.009 ( -2.285 -0.000 0.000) 2.285 9.464 ( 6.738 -0.000 -0.000) 6.738 9.513 ( -6.825 -0.000 0.000) 6.825 9.527 ( 2.378 -0.000 -0.000) 2.378 10.940 ( 11.096 -0.000 -0.000) 11.096 11.082 ( -9.233 -0.000 0.000) 9.233 ======================= Grid point 415 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -9.906 8.240 0.000) 12.885 1.223 ( -4.673 16.189 0.000) 16.850 1.553 ( -0.392 0.829 0.000) 0.917 1.575 ( -4.521 -4.294 0.000) 6.236 1.612 ( 2.358 -1.429 -0.000) 2.758 1.944 ( 1.004 -6.388 -0.000) 6.466 1.960 ( 6.695 -0.752 -0.000) 6.737 2.044 ( 2.963 -9.836 -0.000) 10.273 2.057 ( 1.302 12.234 -0.000) 12.303 2.340 ( 0.962 0.263 -0.000) 0.998 2.562 ( 7.476 -14.003 -0.000) 15.873 2.638 ( -6.133 10.663 0.000) 12.301 2.808 ( 3.816 -2.894 -0.000) 4.790 3.387 ( -10.243 -2.008 0.000) 10.438 4.307 ( 13.108 -8.693 -0.000) 15.729 7.556 ( 2.407 -0.452 -0.000) 2.449 7.751 ( 2.354 -0.759 -0.000) 2.473 7.932 ( -0.319 -0.164 0.000) 0.359 8.353 ( -3.745 2.757 0.000) 4.650 8.639 ( 0.617 -0.334 -0.000) 0.702 8.857 ( 4.548 2.017 -0.000) 4.975 8.947 ( -1.685 -1.524 0.000) 2.272 9.219 ( -6.140 8.020 0.000) 10.100 9.462 ( -3.825 3.551 0.000) 5.219 9.649 ( 2.820 -2.815 -0.000) 3.984 10.708 ( -5.695 11.895 0.000) 13.188 11.291 ( 4.215 -8.394 -0.000) 9.393 ======================= Grid point 426 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -0.000 6.466 0.000) 6.466 1.168 ( -0.000 18.771 0.000) 18.771 1.487 ( 0.000 -3.731 -0.000) 3.731 1.540 ( -0.000 0.481 0.000) 0.481 1.665 ( 0.000 -2.373 -0.000) 2.373 1.935 ( 0.000 -0.269 -0.000) 0.269 2.019 ( -0.000 5.870 0.000) 5.870 2.100 ( 0.000 -18.498 -0.000) 18.498 2.280 ( -0.000 9.384 0.000) 9.384 2.304 ( -0.000 10.676 0.000) 10.676 2.461 ( -0.000 6.393 0.000) 6.393 2.777 ( 0.000 -13.461 -0.000) 13.461 2.886 ( 0.000 -2.406 -0.000) 2.406 3.120 ( 0.000 -13.784 -0.000) 13.784 4.544 ( 0.000 -5.744 -0.000) 5.744 7.636 ( -0.000 0.284 0.000) 0.284 7.802 ( 0.000 -1.946 -0.000) 1.946 7.917 ( -0.000 0.356 0.000) 0.356 8.232 ( -0.000 1.509 0.000) 1.509 8.653 ( 0.000 -0.290 -0.000) 0.290 8.877 ( -0.000 0.704 0.000) 0.704 9.018 ( -0.000 0.065 0.000) 0.065 9.127 ( -0.000 10.232 0.000) 10.232 9.341 ( -0.000 2.954 0.000) 2.954 9.694 ( 0.000 -2.466 -0.000) 2.466 10.616 ( -0.000 13.564 0.000) 13.564 11.357 ( 0.000 -8.229 -0.000) 8.229 ======================= Grid point 427 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -7.545 3.864 0.142) 8.478 1.326 ( -0.577 13.943 -1.181) 14.005 1.480 ( -2.705 -2.434 -0.351) 3.655 1.555 ( -0.575 1.326 0.705) 1.608 1.636 ( 1.436 -2.034 1.500) 2.907 1.895 ( 2.646 -9.799 -0.902) 10.190 1.972 ( -1.956 -4.043 -0.758) 4.554 2.023 ( 2.442 -0.132 -0.294) 2.463 2.285 ( 8.218 14.014 -0.197) 16.247 2.356 ( 1.463 1.227 -0.571) 1.993 2.556 ( 7.890 -13.290 -0.005) 15.456 2.638 ( -5.413 9.413 -0.031) 10.858 2.843 ( 2.892 -1.359 -0.393) 3.219 3.126 ( -14.213 -8.918 -0.303) 16.782 4.434 ( 8.690 -3.299 -0.054) 9.295 7.607 ( 3.570 0.027 0.405) 3.593 7.772 ( 1.419 -0.640 -0.868) 1.782 7.923 ( -0.415 -0.041 -0.185) 0.456 8.291 ( -5.304 0.970 0.032) 5.392 8.647 ( 0.566 -0.147 0.086) 0.591 8.888 ( -1.417 0.576 -1.529) 2.163 8.969 ( 5.035 -0.147 -0.298) 5.046 9.223 ( -2.313 5.605 0.684) 6.102 9.410 ( -5.027 1.569 -0.048) 5.266 9.661 ( 1.510 -1.986 -0.011) 2.495 10.742 ( -2.622 8.421 0.097) 8.820 11.271 ( 2.188 -5.925 -0.227) 6.321 ======================= Grid point 428 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -11.123 -0.000 -0.183) 11.125 1.403 ( -2.739 -0.000 -2.447) 3.673 1.510 ( -3.468 -0.000 -1.798) 3.907 1.585 ( -0.918 0.000 0.935) 1.310 1.614 ( 2.687 0.000 2.784) 3.869 1.778 ( 2.769 0.000 -1.550) 3.173 1.948 ( 6.327 0.000 -0.482) 6.345 1.985 ( -1.307 -0.000 -0.613) 1.443 2.248 ( 6.960 0.000 -0.136) 6.961 2.324 ( 4.657 0.000 0.119) 4.659 2.356 ( 1.871 -0.000 -1.234) 2.242 2.754 ( -2.271 -0.000 -0.657) 2.364 2.780 ( 2.354 0.000 -0.053) 2.354 3.355 ( -18.256 -0.000 -0.540) 18.264 4.219 ( 16.130 0.000 -0.069) 16.131 7.555 ( 2.820 0.000 0.410) 2.849 7.732 ( 2.149 -0.000 -1.584) 2.669 7.928 ( -0.453 -0.000 -0.313) 0.551 8.381 ( -4.353 -0.000 0.141) 4.355 8.635 ( 0.786 0.000 -0.154) 0.801 8.879 ( 5.332 0.000 0.003) 5.332 8.909 ( -2.626 -0.000 -2.505) 3.629 9.312 ( -4.905 -0.000 1.009) 5.008 9.495 ( -4.262 -0.000 -0.101) 4.263 9.615 ( 3.005 0.000 0.053) 3.005 10.846 ( -5.353 -0.000 0.189) 5.356 11.184 ( 4.875 0.000 -0.458) 4.897 ======================= Grid point 438 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 6.191 0.663) 6.227 1.155 ( 0.000 18.301 -1.662) 18.376 1.482 ( -0.000 -3.390 -0.642) 3.451 1.549 ( 0.000 0.629 1.191) 1.347 1.688 ( 0.000 -2.348 2.914) 3.742 1.937 ( 0.000 -0.385 0.249) 0.458 2.004 ( -0.000 2.883 -2.113) 3.574 2.086 ( -0.000 -16.252 -1.515) 16.323 2.267 ( -0.000 9.487 -1.716) 9.640 2.305 ( 0.000 10.672 0.211) 10.674 2.458 ( 0.000 6.588 -0.353) 6.597 2.778 ( -0.000 -13.454 0.108) 13.455 2.879 ( -0.000 -2.456 -0.820) 2.589 3.115 ( -0.000 -13.889 -0.571) 13.900 4.543 ( -0.000 -5.726 -0.119) 5.728 7.642 ( 0.000 0.434 0.712) 0.834 7.792 ( -0.000 -2.380 -1.146) 2.642 7.914 ( -0.000 0.347 -0.394) 0.525 8.232 ( 0.000 1.510 -0.030) 1.511 8.656 ( 0.000 -0.299 0.335) 0.449 8.852 ( -0.000 0.739 -2.880) 2.973 9.011 ( -0.000 0.138 -0.934) 0.944 9.139 ( 0.000 9.972 1.306) 10.057 9.341 ( 0.000 2.953 0.027) 2.953 9.694 ( -0.000 -2.475 -0.050) 2.475 10.619 ( 0.000 13.450 0.294) 13.453 11.353 ( -0.000 -8.159 -0.481) 8.173 ======================= Grid point 439 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -7.303 3.543 0.385) 8.126 1.291 ( -0.286 13.554 -3.208) 13.931 1.470 ( -2.034 -2.213 -0.926) 3.145 1.576 ( -0.539 1.415 1.879) 2.413 1.681 ( 1.584 -1.756 4.086) 4.721 1.862 ( 2.315 -12.099 -3.456) 12.794 1.958 ( -1.735 -0.843 -0.681) 2.046 2.013 ( 2.036 -1.488 -1.119) 2.759 2.275 ( 6.253 12.097 -1.294) 13.679 2.342 ( 3.257 2.778 -1.007) 4.397 2.556 ( 7.651 -12.714 -0.002) 14.839 2.638 ( -5.105 9.102 -0.061) 10.436 2.832 ( 2.682 -1.399 -1.063) 3.206 3.117 ( -14.320 -9.064 -0.799) 16.966 4.433 ( 8.679 -3.269 -0.114) 9.275 7.619 ( 3.861 0.190 1.014) 3.997 7.747 ( 1.427 -1.049 -2.220) 2.840 7.918 ( -0.505 -0.069 -0.458) 0.685 8.293 ( -5.430 0.969 0.100) 5.517 8.649 ( 0.862 -0.157 0.172) 0.893 8.846 ( -1.753 0.458 -3.490) 3.932 8.960 ( 4.579 -0.106 -0.775) 4.645 9.240 ( -2.224 5.569 1.293) 6.134 9.409 ( -4.927 1.564 -0.104) 5.170 9.660 ( 1.446 -2.026 -0.082) 2.490 10.744 ( -2.631 8.291 0.254) 8.702 11.265 ( 2.228 -5.829 -0.583) 6.267 ======================= Grid point 440 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -10.495 -0.000 -0.234) 10.497 1.350 ( -2.677 -0.000 -4.067) 4.869 1.474 ( -1.912 -0.000 -2.767) 3.363 1.605 ( -0.117 0.000 1.617) 1.621 1.669 ( 4.293 0.000 3.744) 5.696 1.745 ( 0.380 -0.000 -2.225) 2.257 1.937 ( 5.114 0.000 -0.906) 5.194 1.975 ( -0.949 -0.000 -0.571) 1.108 2.245 ( 6.980 0.000 -0.278) 6.986 2.297 ( -0.046 -0.000 -3.487) 3.488 2.357 ( 5.965 0.000 1.291) 6.103 2.742 ( -0.356 -0.000 -0.819) 0.893 2.776 ( 0.220 -0.000 -0.436) 0.489 3.344 ( -18.338 -0.000 -0.883) 18.359 4.218 ( 16.107 0.000 -0.060) 16.107 7.564 ( 3.361 0.000 0.660) 3.425 7.698 ( 1.819 -0.000 -2.659) 3.222 7.922 ( -0.477 -0.000 -0.344) 0.588 8.384 ( -4.391 -0.000 0.286) 4.400 8.631 ( 1.141 0.000 -0.402) 1.210 8.860 ( -2.883 -0.000 -3.488) 4.525 8.879 ( 4.597 0.000 -0.022) 4.597 9.329 ( -4.749 -0.000 1.148) 4.886 9.493 ( -4.369 -0.000 -0.081) 4.369 9.616 ( 2.834 0.000 -0.027) 2.834 10.850 ( -5.461 -0.000 0.304) 5.469 11.174 ( 4.974 0.000 -0.727) 5.026 ======================= Grid point 450 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.000 5.451 1.091) 5.559 1.118 ( 0.000 17.009 -3.033) 17.277 1.468 ( -0.000 -2.495 -1.057) 2.709 1.577 ( -0.000 0.958 2.234) 2.430 1.751 ( -0.000 -2.009 4.920) 5.315 1.942 ( 0.000 -0.662 0.408) 0.778 1.950 ( 0.000 -3.968 -4.673) 6.131 2.062 ( -0.000 -11.636 -1.425) 11.723 2.229 ( 0.000 9.457 -3.038) 9.933 2.310 ( 0.000 10.660 0.339) 10.666 2.449 ( 0.000 7.484 -0.804) 7.527 2.781 ( -0.000 -13.433 0.176) 13.434 2.862 ( -0.000 -2.591 -1.349) 2.921 3.103 ( 0.000 -14.162 -0.933) 14.193 4.541 ( 0.000 -5.681 -0.149) 5.683 7.654 ( 0.000 0.893 0.593) 1.072 7.771 ( 0.000 -3.562 -1.254) 3.777 7.906 ( -0.000 0.321 -0.634) 0.710 8.231 ( -0.000 1.514 -0.041) 1.514 8.663 ( -0.000 -0.324 0.535) 0.625 8.797 ( 0.000 0.492 -3.879) 3.910 8.991 ( 0.000 0.203 -1.426) 1.441 9.160 ( 0.000 9.770 1.234) 9.848 9.342 ( 0.000 2.949 0.041) 2.950 9.692 ( 0.000 -2.503 -0.152) 2.508 10.625 ( 0.000 13.151 0.476) 13.159 11.343 ( 0.000 -7.985 -0.754) 8.020 ======================= Grid point 451 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -6.958 2.992 0.515) 7.592 1.232 ( 0.050 13.165 -4.182) 13.813 1.453 ( -0.943 -1.893 -1.234) 2.448 1.611 ( -0.366 1.359 2.490) 2.860 1.757 ( 1.271 -2.451 5.011) 5.722 1.795 ( 1.941 -11.428 -4.329) 12.374 1.952 ( -0.962 0.209 -0.166) 0.999 1.990 ( 1.418 -2.722 -1.711) 3.514 2.238 ( 3.025 7.489 -3.448) 8.782 2.332 ( 6.269 6.590 -0.263) 9.099 2.556 ( 7.048 -11.452 -0.004) 13.447 2.637 ( -4.598 8.361 -0.006) 9.542 2.812 ( 2.422 -1.467 -1.402) 3.160 3.103 ( -14.490 -9.303 -0.995) 17.248 4.431 ( 8.660 -3.219 -0.085) 9.239 7.635 ( 4.074 0.776 0.946) 4.254 7.709 ( 1.762 -2.019 -2.408) 3.603 7.910 ( -0.713 -0.112 -0.529) 0.895 8.295 ( -5.660 0.967 0.159) 5.744 8.651 ( 1.444 -0.181 -0.001) 1.456 8.789 ( -2.236 0.213 -3.571) 4.218 8.946 ( 3.816 -0.072 -0.960) 3.935 9.259 ( -2.175 5.607 1.000) 6.097 9.407 ( -4.800 1.566 -0.090) 5.050 9.658 ( 1.347 -2.101 -0.196) 2.504 10.749 ( -2.644 8.080 0.315) 8.508 11.254 ( 2.293 -5.679 -0.700) 6.164 ======================= Grid point 452 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -9.813 -0.000 -0.064) 9.813 1.283 ( -2.530 -0.000 -4.306) 4.994 1.427 ( -0.126 -0.000 -3.080) 3.083 1.632 ( 1.078 0.000 1.774) 2.076 1.675 ( 2.567 -0.000 -2.696) 3.722 1.765 ( 1.249 0.000 4.669) 4.834 1.921 ( 3.350 0.000 -1.085) 3.521 1.969 ( -0.498 -0.000 -0.157) 0.522 2.231 ( -0.199 -0.000 -4.743) 4.747 2.240 ( 7.066 0.000 -0.351) 7.075 2.381 ( 5.256 0.000 1.585) 5.489 2.730 ( 1.199 0.000 -0.684) 1.381 2.767 ( -1.519 -0.000 -0.712) 1.678 3.329 ( -18.436 -0.000 -0.894) 18.458 4.217 ( 16.068 0.000 0.004) 16.068 7.575 ( 4.025 0.000 0.657) 4.079 7.654 ( 1.573 -0.000 -2.709) 3.132 7.918 ( -0.673 -0.000 -0.218) 0.707 8.389 ( -4.498 -0.000 0.390) 4.514 8.622 ( 1.534 0.000 -0.722) 1.695 8.808 ( -2.982 -0.000 -2.902) 4.161 8.879 ( 3.689 0.000 -0.053) 3.690 9.345 ( -4.672 -0.000 0.763) 4.733 9.493 ( -4.570 -0.000 0.010) 4.570 9.614 ( 2.689 0.000 -0.154) 2.694 10.855 ( -5.589 -0.000 0.300) 5.597 11.162 ( 5.096 0.000 -0.709) 5.145 ======================= Grid point 462 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 4.486 1.117) 4.623 1.066 ( 0.000 15.353 -3.362) 15.717 1.451 ( -0.000 -1.368 -1.083) 1.745 1.617 ( 0.000 1.114 2.850) 3.060 1.834 ( 0.000 -0.638 5.460) 5.497 1.868 ( -0.000 -7.727 -5.483) 9.474 1.949 ( -0.000 -0.962 0.416) 1.048 2.042 ( -0.000 -11.016 -1.135) 11.074 2.175 ( 0.000 8.248 -3.788) 9.077 2.315 ( 0.000 10.647 0.336) 10.652 2.434 ( 0.000 9.355 -1.057) 9.414 2.783 ( 0.000 -13.400 0.182) 13.401 2.840 ( -0.000 -2.770 -1.381) 3.095 3.088 ( 0.000 -14.501 -0.944) 14.532 4.539 ( 0.000 -5.622 -0.094) 5.623 7.654 ( 0.000 0.948 -0.600) 1.122 7.761 ( 0.000 -4.471 -0.008) 4.471 7.896 ( 0.000 0.289 -0.629) 0.692 8.231 ( -0.000 1.517 -0.033) 1.518 8.672 ( 0.000 -0.352 0.525) 0.633 8.739 ( 0.000 -0.033 -3.383) 3.384 8.969 ( 0.000 0.201 -1.364) 1.379 9.175 ( 0.000 9.847 0.647) 9.869 9.343 ( -0.000 2.944 0.038) 2.944 9.689 ( 0.000 -2.556 -0.230) 2.566 10.632 ( 0.000 12.783 0.476) 12.792 11.331 ( 0.000 -7.785 -0.725) 7.818 ======================= Grid point 463 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -6.711 2.393 0.474) 7.140 1.169 ( 0.341 12.948 -3.592) 13.441 1.434 ( 0.316 -1.750 -1.152) 2.119 1.647 ( -0.408 -0.066 1.836) 1.882 1.721 ( 0.105 -11.415 -3.527) 11.948 1.850 ( 2.910 -0.332 5.569) 6.293 1.945 ( 0.655 -0.470 -1.142) 1.398 1.969 ( -0.265 -2.860 -0.270) 2.885 2.172 ( 1.547 4.573 -4.803) 6.810 2.331 ( 7.504 8.425 0.073) 11.283 2.556 ( 6.208 -9.763 -0.021) 11.569 2.638 ( -4.122 7.298 0.092) 8.382 2.791 ( 2.302 -1.550 -1.234) 3.037 3.088 ( -14.658 -9.543 -0.810) 17.509 4.430 ( 8.640 -3.167 -0.022) 9.202 7.639 ( 2.633 1.543 -0.691) 3.129 7.684 ( 3.804 -3.151 -0.459) 4.961 7.903 ( -0.968 -0.155 -0.408) 1.062 8.297 ( -5.936 0.963 0.166) 6.016 8.648 ( 2.114 -0.240 -0.462) 2.177 8.742 ( -2.700 -0.016 -2.181) 3.471 8.932 ( 3.075 -0.061 -0.780) 3.173 9.270 ( -2.186 5.695 0.500) 6.120 9.406 ( -4.715 1.579 -0.048) 4.973 9.655 ( 1.256 -2.192 -0.228) 2.536 10.754 ( -2.656 7.871 0.255) 8.311 11.244 ( 2.359 -5.536 -0.550) 6.042 ======================= Grid point 464 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -9.494 -0.000 0.176) 9.495 1.224 ( -2.208 -0.000 -2.922) 3.663 1.384 ( 1.148 -0.000 -2.190) 2.472 1.635 ( 0.554 -0.000 -2.011) 2.085 1.657 ( 2.385 0.000 1.210) 2.674 1.840 ( 2.818 0.000 4.200) 5.058 1.905 ( 1.536 0.000 -0.791) 1.728 1.971 ( 0.040 0.000 0.414) 0.416 2.156 ( -0.500 -0.000 -4.397) 4.426 2.235 ( 7.187 0.000 -0.256) 7.192 2.402 ( 4.498 0.000 1.030) 4.614 2.721 ( 2.670 0.000 -0.365) 2.695 2.756 ( -3.059 -0.000 -0.576) 3.113 3.318 ( -18.513 -0.000 -0.558) 18.521 4.218 ( 16.029 0.000 0.034) 16.029 7.583 ( 4.560 0.000 0.404) 4.578 7.619 ( 1.461 -0.000 -1.679) 2.226 7.915 ( -0.921 -0.000 -0.094) 0.926 8.395 ( -4.667 -0.000 0.322) 4.679 8.610 ( 1.752 0.000 -0.711) 1.890 8.773 ( -2.827 -0.000 -1.480) 3.192 8.878 ( 2.956 0.000 -0.047) 2.956 9.353 ( -4.661 -0.000 0.333) 4.672 9.493 ( -4.791 -0.000 0.051) 4.791 9.611 ( 2.627 0.000 -0.156) 2.632 10.859 ( -5.689 -0.000 0.184) 5.692 11.153 ( 5.196 0.000 -0.429) 5.213 ======================= Grid point 466 (161/171) ======================= q-point: ( 1.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -9.534 -0.000 0.000) 9.534 1.200 ( -1.930 -0.000 0.000) 1.930 1.366 ( 1.568 0.000 -0.000) 1.568 1.619 ( 0.112 0.000 -0.000) 0.112 1.667 ( 3.024 0.000 -0.000) 3.024 1.876 ( 3.092 0.000 -0.000) 3.092 1.899 ( 0.691 0.000 -0.000) 0.691 1.978 ( 0.770 0.000 -0.000) 0.770 2.115 ( -1.093 -0.000 0.000) 1.093 2.232 ( 7.247 0.000 -0.000) 7.247 2.411 ( 4.199 0.000 -0.000) 4.199 2.718 ( 3.438 0.000 -0.000) 3.438 2.751 ( -3.830 -0.000 0.000) 3.830 3.313 ( -18.542 -0.000 0.000) 18.542 4.218 ( 16.012 0.000 -0.000) 16.012 7.586 ( 4.764 0.000 -0.000) 4.764 7.605 ( 1.434 0.000 -0.000) 1.434 7.915 ( -1.031 -0.000 0.000) 1.031 8.398 ( -4.765 -0.000 0.000) 4.765 8.604 ( 1.801 0.000 -0.000) 1.801 8.762 ( -2.693 -0.000 0.000) 2.693 8.878 ( 2.675 0.000 -0.000) 2.675 9.356 ( -4.665 -0.000 0.000) 4.665 9.494 ( -4.892 -0.000 0.000) 4.892 9.610 ( 2.619 0.000 -0.000) 2.619 10.860 ( -5.726 -0.000 0.000) 5.726 11.150 ( 5.234 0.000 -0.000) 5.234 ======================= Grid point 477 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.000 3.654 0.706) 3.722 1.021 ( 0.000 13.965 -2.223) 14.141 1.437 ( 0.000 -0.426 -0.686) 0.808 1.663 ( 0.000 0.744 2.980) 3.071 1.787 ( -0.000 -7.400 -4.598) 8.712 1.914 ( 0.000 -0.219 4.297) 4.303 1.955 ( 0.000 -1.172 0.262) 1.201 2.030 ( 0.000 -10.347 -0.071) 10.348 2.113 ( -0.000 4.092 -3.994) 5.718 2.320 ( 0.000 10.636 0.207) 10.638 2.419 ( 0.000 11.585 -0.777) 11.611 2.786 ( 0.000 -13.386 0.123) 13.386 2.822 ( -0.000 -2.907 -0.879) 3.037 3.075 ( 0.000 -14.774 -0.589) 14.786 4.538 ( 0.000 -5.572 -0.030) 5.572 7.641 ( 0.000 0.146 -0.869) 0.881 7.767 ( 0.000 -4.332 0.523) 4.363 7.888 ( -0.000 0.263 -0.387) 0.467 8.230 ( -0.000 1.520 -0.016) 1.520 8.678 ( 0.000 -0.374 0.320) 0.493 8.696 ( 0.000 -0.506 -1.940) 2.005 8.951 ( 0.000 0.169 -0.819) 0.837 9.181 ( 0.000 10.011 0.205) 10.013 9.343 ( 0.000 2.940 0.022) 2.940 9.686 ( 0.000 -2.613 -0.176) 2.619 10.639 ( 0.000 12.489 0.294) 12.492 11.321 ( 0.000 -7.634 -0.435) 7.646 ======================= Grid point 478 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -6.656 1.980 0.206) 6.947 1.128 ( 0.565 12.888 -1.438) 12.980 1.420 ( 1.236 -1.893 -0.504) 2.316 1.652 ( -1.600 -9.677 -0.775) 9.839 1.700 ( 1.003 -1.292 0.302) 1.663 1.915 ( 2.071 -0.538 1.824) 2.812 1.926 ( 1.475 -2.098 -0.573) 2.628 1.988 ( 0.303 -1.574 2.443) 2.922 2.097 ( 0.564 3.589 -4.188) 5.544 2.332 ( 7.826 8.803 0.051) 11.779 2.555 ( 5.590 -8.512 -0.015) 10.184 2.639 ( -3.896 6.497 0.070) 7.576 2.776 ( 2.342 -1.620 -0.505) 2.892 3.079 ( -14.758 -9.691 -0.310) 17.658 4.430 ( 8.626 -3.133 0.003) 9.178 7.625 ( 1.537 0.680 -0.647) 1.801 7.685 ( 5.290 -2.503 0.216) 5.856 7.898 ( -1.139 -0.184 -0.152) 1.164 8.299 ( -6.139 0.961 0.075) 6.214 8.640 ( 2.314 -0.325 -0.391) 2.369 8.722 ( -2.730 -0.109 -0.581) 2.793 8.923 ( 2.633 -0.062 -0.299) 2.651 9.275 ( -2.213 5.762 0.136) 6.174 9.406 ( -4.682 1.593 -0.013) 4.945 9.652 ( 1.202 -2.257 -0.102) 2.559 10.757 ( -2.662 7.743 0.097) 8.188 11.238 ( 2.400 -5.451 -0.206) 5.959 ======================= Grid point 489 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.000 3.322 0.000) 3.322 1.002 ( 0.000 13.418 0.000) 13.418 1.431 ( -0.000 -0.057 0.000) 0.057 1.700 ( 0.000 1.991 0.000) 1.991 1.737 ( -0.000 -8.633 -0.000) 8.633 1.951 ( -0.000 -2.622 0.000) 2.622 1.957 ( -0.000 -1.245 0.000) 1.245 2.046 ( 0.000 5.002 0.000) 5.002 2.062 ( -0.000 -10.298 -0.000) 10.298 2.321 ( 0.000 10.632 0.000) 10.632 2.413 ( 0.000 12.646 0.000) 12.646 2.787 ( -0.000 -13.414 0.000) 13.414 2.815 ( -0.000 -2.928 0.000) 2.928 3.071 ( -0.000 -14.878 0.000) 14.878 4.538 ( -0.000 -5.552 0.000) 5.552 7.633 ( -0.000 -0.241 0.000) 0.241 7.771 ( -0.000 -4.192 0.000) 4.192 7.884 ( 0.000 0.253 0.000) 0.253 8.230 ( 0.000 1.521 0.000) 1.521 8.681 ( -0.000 -0.690 0.000) 0.690 8.681 ( -0.000 -0.382 0.000) 0.382 8.945 ( 0.000 0.151 0.000) 0.151 9.183 ( 0.000 10.088 0.000) 10.088 9.343 ( 0.000 2.938 0.000) 2.938 9.684 ( -0.000 -2.639 0.000) 2.639 10.641 ( 0.000 12.376 0.000) 12.376 11.318 ( -0.000 -7.579 0.000) 7.579 ======================= Grid point 531 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -11.371 -0.000 0.000) 11.371 1.422 ( -2.752 0.000 0.000) 2.752 1.526 ( -4.250 -0.000 0.000) 4.250 1.577 ( -1.212 -0.000 0.000) 1.212 1.590 ( 2.425 0.000 -0.000) 2.425 1.790 ( 3.479 -0.000 -0.000) 3.479 1.952 ( 6.759 -0.000 -0.000) 6.759 1.991 ( -1.420 -0.000 0.000) 1.420 2.249 ( 6.963 -0.000 -0.000) 6.963 2.321 ( 6.376 0.000 -0.000) 6.376 2.368 ( 0.377 -0.000 -0.000) 0.377 2.759 ( -3.904 -0.000 0.000) 3.904 2.780 ( 4.087 -0.000 -0.000) 4.087 3.360 ( -18.225 -0.000 0.000) 18.225 4.219 ( 16.137 -0.000 -0.000) 16.137 7.552 ( 2.612 -0.000 -0.000) 2.612 7.744 ( 2.316 -0.000 -0.000) 2.316 7.930 ( -0.485 -0.000 0.000) 0.485 8.380 ( -4.346 -0.000 0.000) 4.346 8.636 ( 0.649 -0.000 -0.000) 0.649 8.879 ( 5.613 -0.000 -0.000) 5.613 8.930 ( -2.478 0.000 0.000) 2.478 9.303 ( -5.005 0.000 0.000) 5.005 9.496 ( -4.236 -0.000 0.000) 4.236 9.615 ( 3.084 -0.000 -0.000) 3.084 10.844 ( -5.310 -0.000 0.000) 5.310 11.187 ( 4.838 -0.000 -0.000) 4.838 ======================= Grid point 543 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.000 0.000 0.000) 0.000 1.405 ( 0.000 -0.000 -0.000) 0.000 1.448 ( -0.000 0.000 0.000) 0.000 1.561 ( -0.000 0.000 0.000) 0.000 1.620 ( -0.000 0.000 0.000) 0.000 1.871 ( -0.000 0.000 0.000) 0.000 1.933 ( -0.000 0.000 0.000) 0.000 2.046 ( -0.000 0.000 0.000) 0.000 2.355 ( -0.000 0.000 0.000) 0.000 2.486 ( -0.000 0.000 0.000) 0.000 2.569 ( -0.000 0.000 0.000) 0.000 2.650 ( -0.000 0.000 0.000) 0.000 2.863 ( -0.000 0.000 0.000) 0.000 2.901 ( 0.000 -0.000 -0.000) 0.000 4.490 ( -0.000 0.000 0.000) 0.000 7.640 ( -0.000 0.000 0.000) 0.000 7.783 ( -0.000 0.000 0.000) 0.000 7.921 ( -0.000 0.000 0.000) 0.000 8.246 ( -0.000 0.000 0.000) 0.000 8.651 ( -0.000 0.000 0.000) 0.000 8.883 ( -0.000 0.000 0.000) 0.000 9.019 ( -0.000 0.000 0.000) 0.000 9.231 ( 0.000 -0.000 -0.000) 0.000 9.369 ( -0.000 0.000 0.000) 0.000 9.663 ( -0.000 0.000 0.000) 0.000 10.763 ( -0.000 0.000 0.000) 0.000 11.260 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 555 (167/171) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.000 -0.000 0.307) 0.307 1.387 ( -0.000 -0.000 -2.281) 2.281 1.446 ( -0.000 0.000 -0.200) 0.200 1.572 ( 0.000 0.000 1.390) 1.390 1.644 ( 0.000 0.000 2.963) 2.963 1.845 ( -0.000 -0.000 -3.078) 3.078 1.934 ( 0.000 -0.000 0.120) 0.120 2.037 ( -0.000 0.000 -1.142) 1.142 2.341 ( -0.000 -0.000 -1.850) 1.850 2.488 ( 0.000 -0.000 0.267) 0.267 2.569 ( 0.000 -0.000 0.052) 0.052 2.651 ( 0.000 0.000 0.061) 0.061 2.856 ( -0.000 -0.000 -0.878) 0.878 2.894 ( -0.000 -0.000 -0.855) 0.855 4.489 ( -0.000 -0.000 -0.094) 0.094 7.648 ( 0.000 0.000 1.029) 1.029 7.769 ( -0.000 -0.000 -1.795) 1.795 7.918 ( -0.000 0.000 -0.405) 0.405 8.246 ( -0.000 0.000 -0.029) 0.029 8.653 ( 0.000 0.000 0.324) 0.324 8.859 ( -0.000 0.000 -2.937) 2.937 9.012 ( -0.000 0.000 -0.884) 0.884 9.241 ( 0.000 -0.000 1.169) 1.169 9.369 ( 0.000 -0.000 0.026) 0.026 9.662 ( -0.000 -0.000 -0.087) 0.087 10.764 ( 0.000 0.000 0.134) 0.134 11.257 ( -0.000 0.000 -0.373) 0.373 ======================= Grid point 567 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.000 -0.000 0.491) 0.491 1.338 ( -0.000 -0.000 -3.789) 3.789 1.442 ( -0.000 0.000 -0.330) 0.330 1.603 ( 0.000 0.000 2.474) 2.474 1.698 ( 0.000 0.000 2.484) 2.484 1.790 ( -0.000 -0.000 -2.560) 2.560 1.936 ( 0.000 -0.000 0.216) 0.216 2.011 ( -0.000 0.000 -2.101) 2.101 2.298 ( -0.000 -0.000 -3.546) 3.546 2.493 ( 0.000 -0.000 0.432) 0.432 2.571 ( 0.000 -0.000 0.085) 0.085 2.652 ( 0.000 0.000 0.077) 0.077 2.837 ( -0.000 -0.000 -1.447) 1.447 2.876 ( -0.000 -0.000 -1.416) 1.416 4.488 ( -0.000 -0.000 -0.108) 0.108 7.670 ( 0.000 0.000 1.671) 1.671 7.731 ( -0.000 -0.000 -2.850) 2.850 7.909 ( -0.000 0.000 -0.651) 0.651 8.245 ( -0.000 0.000 -0.039) 0.039 8.660 ( 0.000 0.000 0.518) 0.518 8.801 ( -0.000 0.000 -4.143) 4.143 8.993 ( -0.000 0.000 -1.401) 1.401 9.261 ( 0.000 -0.000 1.253) 1.253 9.370 ( 0.000 -0.000 0.039) 0.039 9.660 ( -0.000 -0.000 -0.222) 0.222 10.767 ( 0.000 0.000 0.220) 0.220 11.249 ( -0.000 0.000 -0.589) 0.589 ======================= Grid point 579 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 0.000 -0.000 0.485) 0.485 1.276 ( -0.000 -0.000 -3.925) 3.925 1.437 ( -0.000 0.000 -0.337) 0.337 1.647 ( 0.000 0.000 2.954) 2.954 1.661 ( -0.000 -0.000 -5.155) 5.155 1.830 ( 0.000 0.000 5.850) 5.850 1.940 ( 0.000 -0.000 0.243) 0.243 1.973 ( -0.000 -0.000 -2.619) 2.619 2.232 ( -0.000 -0.000 -4.892) 4.892 2.500 ( 0.000 -0.000 0.435) 0.435 2.572 ( 0.000 -0.000 0.084) 0.084 2.653 ( 0.000 0.000 0.051) 0.051 2.814 ( -0.000 -0.000 -1.483) 1.483 2.853 ( -0.000 -0.000 -1.457) 1.457 4.486 ( -0.000 -0.000 -0.051) 0.051 7.685 ( -0.000 0.000 -2.786) 2.786 7.697 ( 0.000 -0.000 1.685) 1.685 7.899 ( -0.000 0.000 -0.647) 0.647 8.245 ( -0.000 0.000 -0.031) 0.031 8.668 ( 0.000 0.000 0.510) 0.510 8.738 ( -0.000 0.000 -3.705) 3.705 8.971 ( -0.000 0.000 -1.371) 1.371 9.278 ( 0.000 -0.000 0.774) 0.774 9.370 ( 0.000 -0.000 0.035) 0.035 9.656 ( -0.000 -0.000 -0.315) 0.315 10.770 ( 0.000 0.000 0.222) 0.222 11.240 ( -0.000 0.000 -0.570) 0.570 ======================= Grid point 592 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 -0.000 0.296) 0.296 1.224 ( -0.000 -0.000 -2.504) 2.504 1.432 ( -0.000 0.000 -0.212) 0.212 1.587 ( -0.000 0.000 -3.709) 3.709 1.690 ( 0.000 -0.000 2.353) 2.353 1.929 ( 0.000 0.000 6.388) 6.388 1.934 ( -0.000 -0.000 -2.165) 2.165 1.943 ( 0.000 -0.000 0.164) 0.164 2.149 ( -0.000 -0.000 -5.580) 5.580 2.506 ( 0.000 -0.000 0.273) 0.273 2.573 ( 0.000 -0.000 0.052) 0.052 2.654 ( 0.000 0.000 0.020) 0.020 2.794 ( -0.000 -0.000 -0.937) 0.937 2.834 ( -0.000 -0.000 -0.922) 0.922 4.486 ( -0.000 0.000 -0.003) 0.003 7.649 ( -0.000 0.000 -1.692) 1.692 7.719 ( 0.000 -0.000 1.051) 1.051 7.890 ( -0.000 0.000 -0.398) 0.398 8.244 ( -0.000 0.000 -0.015) 0.015 8.675 ( 0.000 0.000 0.311) 0.311 8.691 ( -0.000 0.000 -2.147) 2.147 8.953 ( -0.000 0.000 -0.835) 0.835 9.286 ( 0.000 -0.000 0.313) 0.313 9.371 ( 0.000 -0.000 0.020) 0.020 9.651 ( -0.000 -0.000 -0.237) 0.237 10.773 ( 0.000 0.000 0.138) 0.138 11.233 ( -0.000 0.000 -0.343) 0.343 ======================= Grid point 594 (171/171) ======================= q-point: (-1.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.000 0.000 0.000) 0.000 1.203 ( -0.000 0.000 0.000) 0.000 1.431 ( -0.000 0.000 0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 -0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.082 ( -0.000 -0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.573 ( -0.000 0.000 0.000) 0.000 2.654 ( 0.000 -0.000 0.000) 0.000 2.786 ( -0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 7.728 ( 0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 0.000) 0.000 8.244 ( 0.000 0.000 0.000) 0.000 8.674 ( -0.000 0.000 0.000) 0.000 8.678 ( 0.000 0.000 0.000) 0.000 8.947 ( -0.000 0.000 0.000) 0.000 9.288 ( -0.000 0.000 0.000) 0.000 9.371 ( 0.000 0.000 0.000) 0.000 9.649 ( -0.000 0.000 0.000) 0.000 10.774 ( -0.000 0.000 0.000) 0.000 11.230 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/27000 10.0 104.014 101.286 61.964 0.000 0.000 0.000 3/27000 20.0 31.949 29.255 9.029 0.000 0.000 0.000 3/27000 30.0 20.834 19.132 4.305 0.000 0.000 0.000 3/27000 40.0 16.912 15.461 2.899 0.000 -0.000 0.000 3/27000 50.0 14.685 13.301 2.222 0.000 -0.000 0.000 3/27000 60.0 13.069 11.725 1.815 0.000 -0.000 0.000 3/27000 70.0 11.773 10.476 1.538 0.000 -0.000 0.000 3/27000 80.0 10.695 9.452 1.337 0.000 -0.000 0.000 3/27000 90.0 9.783 8.599 1.184 0.000 -0.000 0.000 3/27000 100.0 9.004 7.879 1.063 0.000 -0.000 0.000 3/27000 110.0 8.333 7.265 0.964 0.000 -0.000 0.000 3/27000 120.0 7.750 6.736 0.883 0.000 -0.000 0.000 3/27000 130.0 7.240 6.278 0.814 0.000 -0.000 0.000 3/27000 140.0 6.792 5.876 0.755 0.000 -0.000 0.000 3/27000 150.0 6.394 5.522 0.705 0.000 -0.000 0.000 3/27000 160.0 6.039 5.207 0.661 0.000 -0.000 0.000 3/27000 170.0 5.720 4.926 0.622 0.000 -0.000 0.000 3/27000 180.0 5.433 4.674 0.587 0.000 -0.000 0.000 3/27000 190.0 5.172 4.445 0.556 0.000 -0.000 0.000 3/27000 200.0 4.935 4.238 0.528 0.000 -0.000 0.000 3/27000 210.0 4.719 4.049 0.503 0.000 -0.000 0.000 3/27000 220.0 4.520 3.876 0.480 0.000 -0.000 0.000 3/27000 230.0 4.337 3.717 0.460 0.000 -0.000 0.000 3/27000 240.0 4.168 3.570 0.440 0.000 -0.000 0.000 3/27000 250.0 4.012 3.434 0.423 0.000 -0.000 0.000 3/27000 260.0 3.866 3.309 0.407 0.000 -0.000 0.000 3/27000 270.0 3.731 3.192 0.392 0.000 -0.000 0.000 3/27000 280.0 3.605 3.083 0.378 0.000 -0.000 0.000 3/27000 290.0 3.487 2.981 0.365 0.000 -0.000 0.000 3/27000 300.0 3.376 2.885 0.353 0.000 -0.000 0.000 3/27000 310.0 3.272 2.796 0.341 0.000 -0.000 0.000 3/27000 320.0 3.174 2.711 0.331 0.000 -0.000 0.000 3/27000 330.0 3.082 2.632 0.321 0.000 -0.000 0.000 3/27000 340.0 2.995 2.557 0.311 0.000 -0.000 0.000 3/27000 350.0 2.913 2.486 0.302 0.000 -0.000 0.000 3/27000 360.0 2.835 2.419 0.294 0.000 -0.000 0.000 3/27000 370.0 2.761 2.356 0.286 0.000 -0.000 0.000 3/27000 380.0 2.691 2.296 0.279 0.000 -0.000 0.000 3/27000 390.0 2.624 2.238 0.272 0.000 -0.000 0.000 3/27000 400.0 2.560 2.184 0.265 0.000 -0.000 0.000 3/27000 410.0 2.500 2.132 0.258 0.000 -0.000 0.000 3/27000 420.0 2.442 2.083 0.252 0.000 -0.000 0.000 3/27000 430.0 2.387 2.035 0.246 0.000 -0.000 0.000 3/27000 440.0 2.334 1.990 0.241 0.000 -0.000 0.000 3/27000 450.0 2.283 1.947 0.236 0.000 -0.000 0.000 3/27000 460.0 2.235 1.905 0.230 0.000 -0.000 0.000 3/27000 470.0 2.189 1.866 0.226 0.000 -0.000 0.000 3/27000 480.0 2.144 1.828 0.221 0.000 -0.000 0.000 3/27000 490.0 2.101 1.791 0.216 0.000 -0.000 0.000 3/27000 500.0 2.060 1.756 0.212 0.000 -0.000 0.000 3/27000 510.0 2.021 1.722 0.208 0.000 -0.000 0.000 3/27000 520.0 1.983 1.690 0.204 0.000 -0.000 0.000 3/27000 530.0 1.946 1.658 0.200 0.000 -0.000 0.000 3/27000 540.0 1.911 1.628 0.196 0.000 -0.000 0.000 3/27000 550.0 1.877 1.599 0.193 0.000 -0.000 0.000 3/27000 560.0 1.844 1.571 0.189 0.000 -0.000 0.000 3/27000 570.0 1.812 1.544 0.186 0.000 -0.000 0.000 3/27000 580.0 1.781 1.518 0.183 0.000 -0.000 0.000 3/27000 590.0 1.752 1.492 0.180 0.000 -0.000 0.000 3/27000 600.0 1.723 1.468 0.177 0.000 -0.000 0.000 3/27000 610.0 1.695 1.444 0.174 0.000 -0.000 0.000 3/27000 620.0 1.668 1.421 0.171 0.000 -0.000 0.000 3/27000 630.0 1.642 1.399 0.168 0.000 -0.000 0.000 3/27000 640.0 1.617 1.377 0.166 0.000 -0.000 0.000 3/27000 650.0 1.593 1.356 0.163 0.000 -0.000 0.000 3/27000 660.0 1.569 1.336 0.161 0.000 -0.000 0.000 3/27000 670.0 1.546 1.316 0.158 0.000 -0.000 0.000 3/27000 680.0 1.523 1.297 0.156 0.000 -0.000 0.000 3/27000 690.0 1.502 1.279 0.154 0.000 -0.000 0.000 3/27000 700.0 1.480 1.261 0.152 0.000 -0.000 0.000 3/27000 710.0 1.460 1.243 0.150 0.000 -0.000 0.000 3/27000 720.0 1.440 1.226 0.147 0.000 -0.000 0.000 3/27000 730.0 1.420 1.209 0.145 0.000 -0.000 0.000 3/27000 740.0 1.401 1.193 0.143 0.000 -0.000 0.000 3/27000 750.0 1.383 1.177 0.142 0.000 -0.000 0.000 3/27000 760.0 1.365 1.162 0.140 0.000 -0.000 0.000 3/27000 770.0 1.347 1.147 0.138 0.000 -0.000 0.000 3/27000 780.0 1.330 1.133 0.136 0.000 -0.000 0.000 3/27000 790.0 1.314 1.118 0.134 0.000 -0.000 0.000 3/27000 800.0 1.298 1.105 0.133 0.000 -0.000 0.000 3/27000 810.0 1.282 1.091 0.131 0.000 -0.000 0.000 3/27000 820.0 1.266 1.078 0.130 0.000 -0.000 0.000 3/27000 830.0 1.251 1.065 0.128 0.000 -0.000 0.000 3/27000 840.0 1.236 1.052 0.126 0.000 -0.000 0.000 3/27000 850.0 1.222 1.040 0.125 0.000 -0.000 0.000 3/27000 860.0 1.208 1.028 0.124 0.000 -0.000 0.000 3/27000 870.0 1.194 1.016 0.122 0.000 -0.000 0.000 3/27000 880.0 1.181 1.005 0.121 0.000 -0.000 0.000 3/27000 890.0 1.168 0.994 0.119 0.000 -0.000 0.000 3/27000 900.0 1.155 0.983 0.118 0.000 -0.000 0.000 3/27000 910.0 1.142 0.972 0.117 0.000 -0.000 0.000 3/27000 920.0 1.130 0.962 0.115 0.000 -0.000 0.000 3/27000 930.0 1.118 0.951 0.114 0.000 -0.000 0.000 3/27000 940.0 1.106 0.941 0.113 0.000 -0.000 0.000 3/27000 950.0 1.095 0.932 0.112 0.000 -0.000 0.000 3/27000 960.0 1.083 0.922 0.111 0.000 -0.000 0.000 3/27000 970.0 1.072 0.912 0.110 0.000 -0.000 0.000 3/27000 980.0 1.061 0.903 0.108 0.000 -0.000 0.000 3/27000 990.0 1.051 0.894 0.107 0.000 -0.000 0.000 3/27000 1000.0 1.040 0.885 0.106 0.000 -0.000 0.000 3/27000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:00:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|