----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:45:49]------------------------- 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: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.056320654999999 -7.897220070000002 0.000000000000000 b 2.056320654999999 7.897220070000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.837568820000001 Atomic positions (fractional): *1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 2 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 *3 Cs 0.74362283603065 0.25637716396935 0.75000000000000 132.905 4 Cs 0.25637716396935 0.74362283603065 0.25000000000000 132.905 *5 Zn 0.46272833175995 0.53727166824005 0.75000000000000 65.380 6 Zn 0.53727166824005 0.46272833175995 0.25000000000000 65.380 *7 Se 0.61859848063146 0.38140151936854 0.43996847246617 78.960 *8 Se 0.05739694638989 0.94260305361011 0.75000000000000 78.960 9 Se 0.38140151936854 0.61859848063146 0.56003152753383 78.960 10 Se 0.94260305361011 0.05739694638989 0.25000000000000 78.960 11 Se 0.61859848063146 0.38140151936854 0.06003152753383 78.960 12 Se 0.38140151936854 0.61859848063146 0.93996847246617 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.112641309999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.794440140000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.837568820000001 Atomic positions (fractional): *1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 > 1 2 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 > 2 3 Tb 0.50000000000000 0.50000000000000 0.00000000000000 158.925 > 1 4 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 > 2 *5 Cs 0.00000000000000 0.25637716396935 0.75000000000000 132.905 > 3 6 Cs 0.50000000000000 0.24362283603065 0.25000000000000 132.905 > 4 7 Cs 0.50000000000000 0.75637716396935 0.75000000000000 132.905 > 3 8 Cs 0.00000000000000 0.74362283603065 0.25000000000000 132.905 > 4 *9 Zn 0.50000000000000 0.03727166824005 0.75000000000000 65.380 > 5 10 Zn 0.00000000000000 0.46272833175995 0.25000000000000 65.380 > 6 11 Zn 0.00000000000000 0.53727166824005 0.75000000000000 65.380 > 5 12 Zn 0.50000000000000 0.96272833175995 0.25000000000000 65.380 > 6 *13 Se 0.00000000000000 0.38140151936854 0.43996847246617 78.960 > 7 *14 Se 0.50000000000000 0.44260305361011 0.75000000000000 78.960 > 8 15 Se 0.50000000000000 0.11859848063146 0.56003152753383 78.960 > 9 16 Se 0.00000000000000 0.05739694638989 0.25000000000000 78.960 > 10 17 Se 0.00000000000000 0.38140151936854 0.06003152753383 78.960 > 11 18 Se 0.50000000000000 0.11859848063146 0.93996847246617 78.960 > 12 19 Se 0.50000000000000 0.88140151936854 0.43996847246617 78.960 > 7 20 Se 0.00000000000000 0.94260305361011 0.75000000000000 78.960 > 8 21 Se 0.00000000000000 0.61859848063146 0.56003152753383 78.960 > 9 22 Se 0.50000000000000 0.55739694638989 0.25000000000000 78.960 > 10 23 Se 0.50000000000000 0.88140151936854 0.06003152753383 78.960 > 11 24 Se 0.00000000000000 0.61859848063146 0.93996847246617 78.960 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.337923929999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.794440140000004 0.000000000000000 c 0.000000000000000 0.000000000000000 21.675137640000003 Atomic positions (fractional): *1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 > 1 2 Tb 0.33333333333333 0.00000000000000 0.00000000000000 158.925 > 1 3 Tb 0.66666666666667 0.00000000000000 0.00000000000000 158.925 > 1 4 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 > 1 5 Tb 0.33333333333333 0.00000000000000 0.50000000000000 158.925 > 1 6 Tb 0.66666666666667 0.00000000000000 0.50000000000000 158.925 > 1 7 Tb 0.00000000000000 0.00000000000000 0.25000000000000 158.925 > 2 8 Tb 0.33333333333333 0.00000000000000 0.25000000000000 158.925 > 2 9 Tb 0.66666666666667 0.00000000000000 0.25000000000000 158.925 > 2 10 Tb 0.00000000000000 0.00000000000000 0.75000000000000 158.925 > 2 11 Tb 0.33333333333333 0.00000000000000 0.75000000000000 158.925 > 2 12 Tb 0.66666666666667 0.00000000000000 0.75000000000000 158.925 > 2 13 Tb 0.16666666666667 0.50000000000000 0.00000000000000 158.925 > 1 14 Tb 0.50000000000000 0.50000000000000 0.00000000000000 158.925 > 1 15 Tb 0.83333333333333 0.50000000000000 0.00000000000000 158.925 > 1 16 Tb 0.16666666666667 0.50000000000000 0.50000000000000 158.925 > 1 17 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 > 1 18 Tb 0.83333333333333 0.50000000000000 0.50000000000000 158.925 > 1 19 Tb 0.16666666666667 0.50000000000000 0.25000000000000 158.925 > 2 20 Tb 0.50000000000000 0.50000000000000 0.25000000000000 158.925 > 2 21 Tb 0.83333333333333 0.50000000000000 0.25000000000000 158.925 > 2 22 Tb 0.16666666666667 0.50000000000000 0.75000000000000 158.925 > 2 23 Tb 0.50000000000000 0.50000000000000 0.75000000000000 158.925 > 2 24 Tb 0.83333333333333 0.50000000000000 0.75000000000000 158.925 > 2 *25 Cs 0.00000000000000 0.25637716396935 0.37500000000000 132.905 > 3 26 Cs 0.33333333333333 0.25637716396935 0.37500000000000 132.905 > 3 27 Cs 0.66666666666667 0.25637716396935 0.37500000000000 132.905 > 3 28 Cs 0.00000000000000 0.25637716396935 0.87500000000000 132.905 > 3 29 Cs 0.33333333333333 0.25637716396935 0.87500000000000 132.905 > 3 30 Cs 0.66666666666667 0.25637716396935 0.87500000000000 132.905 > 3 31 Cs 0.16666666666667 0.24362283603065 0.12500000000000 132.905 > 4 32 Cs 0.50000000000000 0.24362283603065 0.12500000000000 132.905 > 4 33 Cs 0.83333333333333 0.24362283603065 0.12500000000000 132.905 > 4 34 Cs 0.16666666666667 0.24362283603065 0.62500000000000 132.905 > 4 35 Cs 0.50000000000000 0.24362283603065 0.62500000000000 132.905 > 4 36 Cs 0.83333333333333 0.24362283603065 0.62500000000000 132.905 > 4 37 Cs 0.16666666666667 0.75637716396935 0.37500000000000 132.905 > 3 38 Cs 0.50000000000000 0.75637716396935 0.37500000000000 132.905 > 3 39 Cs 0.83333333333333 0.75637716396935 0.37500000000000 132.905 > 3 40 Cs 0.16666666666667 0.75637716396935 0.87500000000000 132.905 > 3 41 Cs 0.50000000000000 0.75637716396935 0.87500000000000 132.905 > 3 42 Cs 0.83333333333333 0.75637716396935 0.87500000000000 132.905 > 3 43 Cs 0.00000000000000 0.74362283603065 0.12500000000000 132.905 > 4 44 Cs 0.33333333333333 0.74362283603065 0.12500000000000 132.905 > 4 45 Cs 0.66666666666667 0.74362283603065 0.12500000000000 132.905 > 4 46 Cs 0.00000000000000 0.74362283603065 0.62500000000000 132.905 > 4 47 Cs 0.33333333333333 0.74362283603065 0.62500000000000 132.905 > 4 48 Cs 0.66666666666667 0.74362283603065 0.62500000000000 132.905 > 4 *49 Zn 0.16666666666667 0.03727166824005 0.37500000000000 65.380 > 5 50 Zn 0.50000000000000 0.03727166824005 0.37500000000000 65.380 > 5 51 Zn 0.83333333333333 0.03727166824005 0.37500000000000 65.380 > 5 52 Zn 0.16666666666667 0.03727166824005 0.87500000000000 65.380 > 5 53 Zn 0.50000000000000 0.03727166824005 0.87500000000000 65.380 > 5 54 Zn 0.83333333333333 0.03727166824005 0.87500000000000 65.380 > 5 55 Zn 0.00000000000000 0.46272833175995 0.12500000000000 65.380 > 6 56 Zn 0.33333333333333 0.46272833175995 0.12500000000000 65.380 > 6 57 Zn 0.66666666666667 0.46272833175995 0.12500000000000 65.380 > 6 58 Zn 0.00000000000000 0.46272833175995 0.62500000000000 65.380 > 6 59 Zn 0.33333333333333 0.46272833175995 0.62500000000000 65.380 > 6 60 Zn 0.66666666666667 0.46272833175995 0.62500000000000 65.380 > 6 61 Zn 0.00000000000000 0.53727166824005 0.37500000000000 65.380 > 5 62 Zn 0.33333333333333 0.53727166824005 0.37500000000000 65.380 > 5 63 Zn 0.66666666666667 0.53727166824005 0.37500000000000 65.380 > 5 64 Zn 0.00000000000000 0.53727166824005 0.87500000000000 65.380 > 5 65 Zn 0.33333333333333 0.53727166824005 0.87500000000000 65.380 > 5 66 Zn 0.66666666666667 0.53727166824005 0.87500000000000 65.380 > 5 67 Zn 0.16666666666667 0.96272833175995 0.12500000000000 65.380 > 6 68 Zn 0.50000000000000 0.96272833175995 0.12500000000000 65.380 > 6 69 Zn 0.83333333333333 0.96272833175995 0.12500000000000 65.380 > 6 70 Zn 0.16666666666667 0.96272833175995 0.62500000000000 65.380 > 6 71 Zn 0.50000000000000 0.96272833175995 0.62500000000000 65.380 > 6 72 Zn 0.83333333333333 0.96272833175995 0.62500000000000 65.380 > 6 *73 Se 0.00000000000000 0.38140151936854 0.21998423623308 78.960 > 7 74 Se 0.33333333333333 0.38140151936854 0.21998423623308 78.960 > 7 75 Se 0.66666666666667 0.38140151936854 0.21998423623308 78.960 > 7 76 Se 0.00000000000000 0.38140151936854 0.71998423623308 78.960 > 7 77 Se 0.33333333333333 0.38140151936854 0.71998423623308 78.960 > 7 78 Se 0.66666666666667 0.38140151936854 0.71998423623308 78.960 > 7 *79 Se 0.16666666666667 0.44260305361011 0.37500000000000 78.960 > 8 80 Se 0.50000000000000 0.44260305361011 0.37500000000000 78.960 > 8 81 Se 0.83333333333333 0.44260305361011 0.37500000000000 78.960 > 8 82 Se 0.16666666666667 0.44260305361011 0.87500000000000 78.960 > 8 83 Se 0.50000000000000 0.44260305361011 0.87500000000000 78.960 > 8 84 Se 0.83333333333333 0.44260305361011 0.87500000000000 78.960 > 8 85 Se 0.16666666666667 0.11859848063146 0.28001576376692 78.960 > 9 86 Se 0.50000000000000 0.11859848063146 0.28001576376692 78.960 > 9 87 Se 0.83333333333333 0.11859848063146 0.28001576376692 78.960 > 9 88 Se 0.16666666666667 0.11859848063146 0.78001576376692 78.960 > 9 89 Se 0.50000000000000 0.11859848063146 0.78001576376692 78.960 > 9 90 Se 0.83333333333333 0.11859848063146 0.78001576376692 78.960 > 9 91 Se 0.00000000000000 0.05739694638989 0.12500000000000 78.960 > 10 92 Se 0.33333333333333 0.05739694638989 0.12500000000000 78.960 > 10 93 Se 0.66666666666667 0.05739694638989 0.12500000000000 78.960 > 10 94 Se 0.00000000000000 0.05739694638989 0.62500000000000 78.960 > 10 95 Se 0.33333333333333 0.05739694638989 0.62500000000000 78.960 > 10 96 Se 0.66666666666667 0.05739694638989 0.62500000000000 78.960 > 10 97 Se 0.00000000000000 0.38140151936854 0.03001576376692 78.960 > 11 98 Se 0.33333333333333 0.38140151936854 0.03001576376692 78.960 > 11 99 Se 0.66666666666667 0.38140151936854 0.03001576376692 78.960 > 11 100 Se 0.00000000000000 0.38140151936854 0.53001576376692 78.960 > 11 101 Se 0.33333333333333 0.38140151936854 0.53001576376692 78.960 > 11 102 Se 0.66666666666667 0.38140151936854 0.53001576376692 78.960 > 11 103 Se 0.16666666666667 0.11859848063146 0.46998423623308 78.960 > 12 104 Se 0.50000000000000 0.11859848063146 0.46998423623308 78.960 > 12 105 Se 0.83333333333333 0.11859848063146 0.46998423623308 78.960 > 12 106 Se 0.16666666666667 0.11859848063146 0.96998423623308 78.960 > 12 107 Se 0.50000000000000 0.11859848063146 0.96998423623308 78.960 > 12 108 Se 0.83333333333333 0.11859848063146 0.96998423623308 78.960 > 12 109 Se 0.16666666666667 0.88140151936854 0.21998423623308 78.960 > 7 110 Se 0.50000000000000 0.88140151936854 0.21998423623308 78.960 > 7 111 Se 0.83333333333333 0.88140151936854 0.21998423623308 78.960 > 7 112 Se 0.16666666666667 0.88140151936854 0.71998423623308 78.960 > 7 113 Se 0.50000000000000 0.88140151936854 0.71998423623308 78.960 > 7 114 Se 0.83333333333333 0.88140151936854 0.71998423623308 78.960 > 7 115 Se 0.00000000000000 0.94260305361011 0.37500000000000 78.960 > 8 116 Se 0.33333333333333 0.94260305361011 0.37500000000000 78.960 > 8 117 Se 0.66666666666667 0.94260305361011 0.37500000000000 78.960 > 8 118 Se 0.00000000000000 0.94260305361011 0.87500000000000 78.960 > 8 119 Se 0.33333333333333 0.94260305361011 0.87500000000000 78.960 > 8 120 Se 0.66666666666667 0.94260305361011 0.87500000000000 78.960 > 8 121 Se 0.00000000000000 0.61859848063146 0.28001576376692 78.960 > 9 122 Se 0.33333333333333 0.61859848063146 0.28001576376692 78.960 > 9 123 Se 0.66666666666667 0.61859848063146 0.28001576376692 78.960 > 9 124 Se 0.00000000000000 0.61859848063146 0.78001576376692 78.960 > 9 125 Se 0.33333333333333 0.61859848063146 0.78001576376692 78.960 > 9 126 Se 0.66666666666667 0.61859848063146 0.78001576376692 78.960 > 9 127 Se 0.16666666666667 0.55739694638989 0.12500000000000 78.960 > 10 128 Se 0.50000000000000 0.55739694638989 0.12500000000000 78.960 > 10 129 Se 0.83333333333333 0.55739694638989 0.12500000000000 78.960 > 10 130 Se 0.16666666666667 0.55739694638989 0.62500000000000 78.960 > 10 131 Se 0.50000000000000 0.55739694638989 0.62500000000000 78.960 > 10 132 Se 0.83333333333333 0.55739694638989 0.62500000000000 78.960 > 10 133 Se 0.16666666666667 0.88140151936854 0.03001576376692 78.960 > 11 134 Se 0.50000000000000 0.88140151936854 0.03001576376692 78.960 > 11 135 Se 0.83333333333333 0.88140151936854 0.03001576376692 78.960 > 11 136 Se 0.16666666666667 0.88140151936854 0.53001576376692 78.960 > 11 137 Se 0.50000000000000 0.88140151936854 0.53001576376692 78.960 > 11 138 Se 0.83333333333333 0.88140151936854 0.53001576376692 78.960 > 11 139 Se 0.00000000000000 0.61859848063146 0.46998423623308 78.960 > 12 140 Se 0.33333333333333 0.61859848063146 0.46998423623308 78.960 > 12 141 Se 0.66666666666667 0.61859848063146 0.46998423623308 78.960 > 12 142 Se 0.00000000000000 0.61859848063146 0.96998423623308 78.960 > 12 143 Se 0.33333333333333 0.61859848063146 0.96998423623308 78.960 > 12 144 Se 0.66666666666667 0.61859848063146 0.96998423623308 78.960 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8894877 0.0000000 0.0000000 0.0000000 4.5959013 0.0000000 0.0000000 0.0000000 6.5557184 -------------------------- Born effective charges -------------------------- 1 Tb 4.8876191 0.0000000 0.0000000 0.0000000 1.6509080 -0.3729829 0.0000000 -0.5418230 4.7275952 2 Tb 4.8876191 0.0000000 0.0000000 0.0000000 1.6509080 0.3729829 0.0000000 0.5418230 4.7275952 3 Cs 1.2124319 0.0000000 0.0000000 0.0000000 1.9908778 0.0000000 0.0000000 0.0000000 1.2923807 4 Cs 1.2124319 0.0000000 0.0000000 0.0000000 1.9908778 0.0000000 0.0000000 0.0000000 1.2923807 5 Zn 1.9729064 0.0000000 0.0000000 0.0000000 0.7552162 0.0000000 0.0000000 0.0000000 1.8447887 6 Zn 1.9729064 0.0000000 0.0000000 0.0000000 0.7552162 0.0000000 0.0000000 0.0000000 1.8447887 7 Se -2.8808682 0.0000000 0.0000000 0.0000000 -1.6289764 -0.0759463 0.0000000 -0.1685780 -2.2201084 8 Se -2.3112210 0.0000000 0.0000000 0.0000000 -1.1390491 0.0000000 0.0000000 0.0000000 -3.4245477 9 Se -2.8808682 0.0000000 0.0000000 0.0000000 -1.6289764 -0.0759463 0.0000000 -0.1685780 -2.2201084 10 Se -2.3112210 0.0000000 0.0000000 0.0000000 -1.1390491 0.0000000 0.0000000 0.0000000 -3.4245477 11 Se -2.8808682 0.0000000 0.0000000 0.0000000 -1.6289764 0.0759463 0.0000000 0.1685780 -2.2201084 12 Se -2.8808682 0.0000000 0.0000000 0.0000000 -1.6289764 0.0759463 0.0000000 0.1685780 -2.2201084 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.707 Solver_block: 200 / 240 - Time: 1.661 Solver_block: 240 / 240 - Time: 0.735 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.130 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:46:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:46:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.056320654999999 -7.897220070000002 0.000000000000000 b 2.056320654999999 7.897220070000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.837568820000001 Atomic positions (fractional): 1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 2 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 3 Cs 0.74362283603065 0.25637716396935 0.75000000000000 132.905 4 Cs 0.25637716396935 0.74362283603065 0.25000000000000 132.905 5 Zn 0.46272833175995 0.53727166824005 0.75000000000000 65.380 6 Zn 0.53727166824005 0.46272833175995 0.25000000000000 65.380 7 Se 0.61859848063146 0.38140151936854 0.43996847246617 78.960 8 Se 0.05739694638989 0.94260305361011 0.75000000000000 78.960 9 Se 0.38140151936854 0.61859848063146 0.56003152753383 78.960 10 Se 0.94260305361011 0.05739694638989 0.25000000000000 78.960 11 Se 0.61859848063146 0.38140151936854 0.06003152753383 78.960 12 Se 0.38140151936854 0.61859848063146 0.93996847246617 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.337923929999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.794440140000004 0.000000000000000 c 0.000000000000000 0.000000000000000 21.675137640000003 Atomic positions (fractional): 1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 > 1 2 Tb 0.33333333333333 0.00000000000000 0.00000000000000 158.925 > 1 3 Tb 0.66666666666667 0.00000000000000 0.00000000000000 158.925 > 1 4 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 > 1 5 Tb 0.33333333333333 0.00000000000000 0.50000000000000 158.925 > 1 6 Tb 0.66666666666667 0.00000000000000 0.50000000000000 158.925 > 1 7 Tb 0.00000000000000 0.00000000000000 0.25000000000000 158.925 > 7 8 Tb 0.33333333333333 0.00000000000000 0.25000000000000 158.925 > 7 9 Tb 0.66666666666667 0.00000000000000 0.25000000000000 158.925 > 7 10 Tb 0.00000000000000 0.00000000000000 0.75000000000000 158.925 > 7 11 Tb 0.33333333333333 0.00000000000000 0.75000000000000 158.925 > 7 12 Tb 0.66666666666667 0.00000000000000 0.75000000000000 158.925 > 7 13 Tb 0.16666666666667 0.50000000000000 0.00000000000000 158.925 > 1 14 Tb 0.50000000000000 0.50000000000000 0.00000000000000 158.925 > 1 15 Tb 0.83333333333333 0.50000000000000 0.00000000000000 158.925 > 1 16 Tb 0.16666666666667 0.50000000000000 0.50000000000000 158.925 > 1 17 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 > 1 18 Tb 0.83333333333333 0.50000000000000 0.50000000000000 158.925 > 1 19 Tb 0.16666666666667 0.50000000000000 0.25000000000000 158.925 > 7 20 Tb 0.50000000000000 0.50000000000000 0.25000000000000 158.925 > 7 21 Tb 0.83333333333333 0.50000000000000 0.25000000000000 158.925 > 7 22 Tb 0.16666666666667 0.50000000000000 0.75000000000000 158.925 > 7 23 Tb 0.50000000000000 0.50000000000000 0.75000000000000 158.925 > 7 24 Tb 0.83333333333333 0.50000000000000 0.75000000000000 158.925 > 7 25 Cs 0.00000000000000 0.25637716396935 0.37500000000000 132.905 > 25 26 Cs 0.33333333333333 0.25637716396935 0.37500000000000 132.905 > 25 27 Cs 0.66666666666667 0.25637716396935 0.37500000000000 132.905 > 25 28 Cs 0.00000000000000 0.25637716396935 0.87500000000000 132.905 > 25 29 Cs 0.33333333333333 0.25637716396935 0.87500000000000 132.905 > 25 30 Cs 0.66666666666667 0.25637716396935 0.87500000000000 132.905 > 25 31 Cs 0.16666666666667 0.24362283603065 0.12500000000000 132.905 > 31 32 Cs 0.50000000000000 0.24362283603065 0.12500000000000 132.905 > 31 33 Cs 0.83333333333333 0.24362283603065 0.12500000000000 132.905 > 31 34 Cs 0.16666666666667 0.24362283603065 0.62500000000000 132.905 > 31 35 Cs 0.50000000000000 0.24362283603065 0.62500000000000 132.905 > 31 36 Cs 0.83333333333333 0.24362283603065 0.62500000000000 132.905 > 31 37 Cs 0.16666666666667 0.75637716396935 0.37500000000000 132.905 > 25 38 Cs 0.50000000000000 0.75637716396935 0.37500000000000 132.905 > 25 39 Cs 0.83333333333333 0.75637716396935 0.37500000000000 132.905 > 25 40 Cs 0.16666666666667 0.75637716396935 0.87500000000000 132.905 > 25 41 Cs 0.50000000000000 0.75637716396935 0.87500000000000 132.905 > 25 42 Cs 0.83333333333333 0.75637716396935 0.87500000000000 132.905 > 25 43 Cs 0.00000000000000 0.74362283603065 0.12500000000000 132.905 > 31 44 Cs 0.33333333333333 0.74362283603065 0.12500000000000 132.905 > 31 45 Cs 0.66666666666667 0.74362283603065 0.12500000000000 132.905 > 31 46 Cs 0.00000000000000 0.74362283603065 0.62500000000000 132.905 > 31 47 Cs 0.33333333333333 0.74362283603065 0.62500000000000 132.905 > 31 48 Cs 0.66666666666667 0.74362283603065 0.62500000000000 132.905 > 31 49 Zn 0.16666666666667 0.03727166824005 0.37500000000000 65.380 > 49 50 Zn 0.50000000000000 0.03727166824005 0.37500000000000 65.380 > 49 51 Zn 0.83333333333333 0.03727166824005 0.37500000000000 65.380 > 49 52 Zn 0.16666666666667 0.03727166824005 0.87500000000000 65.380 > 49 53 Zn 0.50000000000000 0.03727166824005 0.87500000000000 65.380 > 49 54 Zn 0.83333333333333 0.03727166824005 0.87500000000000 65.380 > 49 55 Zn 0.00000000000000 0.46272833175995 0.12500000000000 65.380 > 55 56 Zn 0.33333333333333 0.46272833175995 0.12500000000000 65.380 > 55 57 Zn 0.66666666666667 0.46272833175995 0.12500000000000 65.380 > 55 58 Zn 0.00000000000000 0.46272833175995 0.62500000000000 65.380 > 55 59 Zn 0.33333333333333 0.46272833175995 0.62500000000000 65.380 > 55 60 Zn 0.66666666666667 0.46272833175995 0.62500000000000 65.380 > 55 61 Zn 0.00000000000000 0.53727166824005 0.37500000000000 65.380 > 49 62 Zn 0.33333333333333 0.53727166824005 0.37500000000000 65.380 > 49 63 Zn 0.66666666666667 0.53727166824005 0.37500000000000 65.380 > 49 64 Zn 0.00000000000000 0.53727166824005 0.87500000000000 65.380 > 49 65 Zn 0.33333333333333 0.53727166824005 0.87500000000000 65.380 > 49 66 Zn 0.66666666666667 0.53727166824005 0.87500000000000 65.380 > 49 67 Zn 0.16666666666667 0.96272833175995 0.12500000000000 65.380 > 55 68 Zn 0.50000000000000 0.96272833175995 0.12500000000000 65.380 > 55 69 Zn 0.83333333333333 0.96272833175995 0.12500000000000 65.380 > 55 70 Zn 0.16666666666667 0.96272833175995 0.62500000000000 65.380 > 55 71 Zn 0.50000000000000 0.96272833175995 0.62500000000000 65.380 > 55 72 Zn 0.83333333333333 0.96272833175995 0.62500000000000 65.380 > 55 73 Se 0.00000000000000 0.38140151936854 0.21998423623308 78.960 > 73 74 Se 0.33333333333333 0.38140151936854 0.21998423623308 78.960 > 73 75 Se 0.66666666666667 0.38140151936854 0.21998423623308 78.960 > 73 76 Se 0.00000000000000 0.38140151936854 0.71998423623308 78.960 > 73 77 Se 0.33333333333333 0.38140151936854 0.71998423623308 78.960 > 73 78 Se 0.66666666666667 0.38140151936854 0.71998423623308 78.960 > 73 79 Se 0.16666666666667 0.44260305361011 0.37500000000000 78.960 > 79 80 Se 0.50000000000000 0.44260305361011 0.37500000000000 78.960 > 79 81 Se 0.83333333333333 0.44260305361011 0.37500000000000 78.960 > 79 82 Se 0.16666666666667 0.44260305361011 0.87500000000000 78.960 > 79 83 Se 0.50000000000000 0.44260305361011 0.87500000000000 78.960 > 79 84 Se 0.83333333333333 0.44260305361011 0.87500000000000 78.960 > 79 85 Se 0.16666666666667 0.11859848063146 0.28001576376692 78.960 > 85 86 Se 0.50000000000000 0.11859848063146 0.28001576376692 78.960 > 85 87 Se 0.83333333333333 0.11859848063146 0.28001576376692 78.960 > 85 88 Se 0.16666666666667 0.11859848063146 0.78001576376692 78.960 > 85 89 Se 0.50000000000000 0.11859848063146 0.78001576376692 78.960 > 85 90 Se 0.83333333333333 0.11859848063146 0.78001576376692 78.960 > 85 91 Se 0.00000000000000 0.05739694638989 0.12500000000000 78.960 > 91 92 Se 0.33333333333333 0.05739694638989 0.12500000000000 78.960 > 91 93 Se 0.66666666666667 0.05739694638989 0.12500000000000 78.960 > 91 94 Se 0.00000000000000 0.05739694638989 0.62500000000000 78.960 > 91 95 Se 0.33333333333333 0.05739694638989 0.62500000000000 78.960 > 91 96 Se 0.66666666666667 0.05739694638989 0.62500000000000 78.960 > 91 97 Se 0.00000000000000 0.38140151936854 0.03001576376692 78.960 > 97 98 Se 0.33333333333333 0.38140151936854 0.03001576376692 78.960 > 97 99 Se 0.66666666666667 0.38140151936854 0.03001576376692 78.960 > 97 100 Se 0.00000000000000 0.38140151936854 0.53001576376692 78.960 > 97 101 Se 0.33333333333333 0.38140151936854 0.53001576376692 78.960 > 97 102 Se 0.66666666666667 0.38140151936854 0.53001576376692 78.960 > 97 103 Se 0.16666666666667 0.11859848063146 0.46998423623308 78.960 > 103 104 Se 0.50000000000000 0.11859848063146 0.46998423623308 78.960 > 103 105 Se 0.83333333333333 0.11859848063146 0.46998423623308 78.960 > 103 106 Se 0.16666666666667 0.11859848063146 0.96998423623308 78.960 > 103 107 Se 0.50000000000000 0.11859848063146 0.96998423623308 78.960 > 103 108 Se 0.83333333333333 0.11859848063146 0.96998423623308 78.960 > 103 109 Se 0.16666666666667 0.88140151936854 0.21998423623308 78.960 > 73 110 Se 0.50000000000000 0.88140151936854 0.21998423623308 78.960 > 73 111 Se 0.83333333333333 0.88140151936854 0.21998423623308 78.960 > 73 112 Se 0.16666666666667 0.88140151936854 0.71998423623308 78.960 > 73 113 Se 0.50000000000000 0.88140151936854 0.71998423623308 78.960 > 73 114 Se 0.83333333333333 0.88140151936854 0.71998423623308 78.960 > 73 115 Se 0.00000000000000 0.94260305361011 0.37500000000000 78.960 > 79 116 Se 0.33333333333333 0.94260305361011 0.37500000000000 78.960 > 79 117 Se 0.66666666666667 0.94260305361011 0.37500000000000 78.960 > 79 118 Se 0.00000000000000 0.94260305361011 0.87500000000000 78.960 > 79 119 Se 0.33333333333333 0.94260305361011 0.87500000000000 78.960 > 79 120 Se 0.66666666666667 0.94260305361011 0.87500000000000 78.960 > 79 121 Se 0.00000000000000 0.61859848063146 0.28001576376692 78.960 > 85 122 Se 0.33333333333333 0.61859848063146 0.28001576376692 78.960 > 85 123 Se 0.66666666666667 0.61859848063146 0.28001576376692 78.960 > 85 124 Se 0.00000000000000 0.61859848063146 0.78001576376692 78.960 > 85 125 Se 0.33333333333333 0.61859848063146 0.78001576376692 78.960 > 85 126 Se 0.66666666666667 0.61859848063146 0.78001576376692 78.960 > 85 127 Se 0.16666666666667 0.55739694638989 0.12500000000000 78.960 > 91 128 Se 0.50000000000000 0.55739694638989 0.12500000000000 78.960 > 91 129 Se 0.83333333333333 0.55739694638989 0.12500000000000 78.960 > 91 130 Se 0.16666666666667 0.55739694638989 0.62500000000000 78.960 > 91 131 Se 0.50000000000000 0.55739694638989 0.62500000000000 78.960 > 91 132 Se 0.83333333333333 0.55739694638989 0.62500000000000 78.960 > 91 133 Se 0.16666666666667 0.88140151936854 0.03001576376692 78.960 > 97 134 Se 0.50000000000000 0.88140151936854 0.03001576376692 78.960 > 97 135 Se 0.83333333333333 0.88140151936854 0.03001576376692 78.960 > 97 136 Se 0.16666666666667 0.88140151936854 0.53001576376692 78.960 > 97 137 Se 0.50000000000000 0.88140151936854 0.53001576376692 78.960 > 97 138 Se 0.83333333333333 0.88140151936854 0.53001576376692 78.960 > 97 139 Se 0.00000000000000 0.61859848063146 0.46998423623308 78.960 > 103 140 Se 0.33333333333333 0.61859848063146 0.46998423623308 78.960 > 103 141 Se 0.66666666666667 0.61859848063146 0.46998423623308 78.960 > 103 142 Se 0.00000000000000 0.61859848063146 0.96998423623308 78.960 > 103 143 Se 0.33333333333333 0.61859848063146 0.96998423623308 78.960 > 103 144 Se 0.66666666666667 0.61859848063146 0.96998423623308 78.960 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8894877 0.0000000 0.0000000 0.0000000 4.5959013 0.0000000 0.0000000 0.0000000 6.5557184 -------------------------- Born effective charges -------------------------- 1 Tb 4.8876191 0.0000000 0.0000000 0.0000000 1.6509080 -0.3729829 0.0000000 -0.5418230 4.7275952 2 Tb 4.8876191 0.0000000 0.0000000 0.0000000 1.6509080 0.3729829 0.0000000 0.5418230 4.7275952 3 Cs 1.2124319 0.0000000 0.0000000 0.0000000 1.9908778 0.0000000 0.0000000 0.0000000 1.2923807 4 Cs 1.2124319 0.0000000 0.0000000 0.0000000 1.9908778 0.0000000 0.0000000 0.0000000 1.2923807 5 Zn 1.9729064 0.0000000 0.0000000 0.0000000 0.7552162 0.0000000 0.0000000 0.0000000 1.8447887 6 Zn 1.9729064 0.0000000 0.0000000 0.0000000 0.7552162 0.0000000 0.0000000 0.0000000 1.8447887 7 Se -2.8808682 0.0000000 0.0000000 0.0000000 -1.6289764 -0.0759463 0.0000000 -0.1685780 -2.2201084 8 Se -2.3112210 0.0000000 0.0000000 0.0000000 -1.1390491 0.0000000 0.0000000 0.0000000 -3.4245477 9 Se -2.8808682 0.0000000 0.0000000 0.0000000 -1.6289764 -0.0759463 0.0000000 -0.1685780 -2.2201084 10 Se -2.3112210 0.0000000 0.0000000 0.0000000 -1.1390491 0.0000000 0.0000000 0.0000000 -3.4245477 11 Se -2.8808682 0.0000000 0.0000000 0.0000000 -1.6289764 0.0759463 0.0000000 0.1685780 -2.2201084 12 Se -2.8808682 0.0000000 0.0000000 0.0000000 -1.6289764 0.0759463 0.0000000 0.1685780 -2.2201084 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, 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: 0.00000001 (xxy) 0.00000001 (xxy) 0.00000001 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:46:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:46:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.056320654999999 -7.897220070000002 0.000000000000000 b 2.056320654999999 7.897220070000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.837568820000001 Atomic positions (fractional): 1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 2 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 3 Cs 0.74362283603065 0.25637716396935 0.75000000000000 132.905 4 Cs 0.25637716396935 0.74362283603065 0.25000000000000 132.905 5 Zn 0.46272833175995 0.53727166824005 0.75000000000000 65.380 6 Zn 0.53727166824005 0.46272833175995 0.25000000000000 65.380 7 Se 0.61859848063146 0.38140151936854 0.43996847246617 78.960 8 Se 0.05739694638989 0.94260305361011 0.75000000000000 78.960 9 Se 0.38140151936854 0.61859848063146 0.56003152753383 78.960 10 Se 0.94260305361011 0.05739694638989 0.25000000000000 78.960 11 Se 0.61859848063146 0.38140151936854 0.06003152753383 78.960 12 Se 0.38140151936854 0.61859848063146 0.93996847246617 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.337923929999997 0.000000000000000 0.000000000000000 b 0.000000000000000 15.794440140000004 0.000000000000000 c 0.000000000000000 0.000000000000000 21.675137640000003 Atomic positions (fractional): 1 Tb 0.00000000000000 0.00000000000000 0.00000000000000 158.925 > 1 2 Tb 0.33333333333333 0.00000000000000 0.00000000000000 158.925 > 1 3 Tb 0.66666666666667 0.00000000000000 0.00000000000000 158.925 > 1 4 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 > 1 5 Tb 0.33333333333333 0.00000000000000 0.50000000000000 158.925 > 1 6 Tb 0.66666666666667 0.00000000000000 0.50000000000000 158.925 > 1 7 Tb 0.00000000000000 0.00000000000000 0.25000000000000 158.925 > 7 8 Tb 0.33333333333333 0.00000000000000 0.25000000000000 158.925 > 7 9 Tb 0.66666666666667 0.00000000000000 0.25000000000000 158.925 > 7 10 Tb 0.00000000000000 0.00000000000000 0.75000000000000 158.925 > 7 11 Tb 0.33333333333333 0.00000000000000 0.75000000000000 158.925 > 7 12 Tb 0.66666666666667 0.00000000000000 0.75000000000000 158.925 > 7 13 Tb 0.16666666666667 0.50000000000000 0.00000000000000 158.925 > 1 14 Tb 0.50000000000000 0.50000000000000 0.00000000000000 158.925 > 1 15 Tb 0.83333333333333 0.50000000000000 0.00000000000000 158.925 > 1 16 Tb 0.16666666666667 0.50000000000000 0.50000000000000 158.925 > 1 17 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 > 1 18 Tb 0.83333333333333 0.50000000000000 0.50000000000000 158.925 > 1 19 Tb 0.16666666666667 0.50000000000000 0.25000000000000 158.925 > 7 20 Tb 0.50000000000000 0.50000000000000 0.25000000000000 158.925 > 7 21 Tb 0.83333333333333 0.50000000000000 0.25000000000000 158.925 > 7 22 Tb 0.16666666666667 0.50000000000000 0.75000000000000 158.925 > 7 23 Tb 0.50000000000000 0.50000000000000 0.75000000000000 158.925 > 7 24 Tb 0.83333333333333 0.50000000000000 0.75000000000000 158.925 > 7 25 Cs 0.00000000000000 0.25637716396935 0.37500000000000 132.905 > 25 26 Cs 0.33333333333333 0.25637716396935 0.37500000000000 132.905 > 25 27 Cs 0.66666666666667 0.25637716396935 0.37500000000000 132.905 > 25 28 Cs 0.00000000000000 0.25637716396935 0.87500000000000 132.905 > 25 29 Cs 0.33333333333333 0.25637716396935 0.87500000000000 132.905 > 25 30 Cs 0.66666666666667 0.25637716396935 0.87500000000000 132.905 > 25 31 Cs 0.16666666666667 0.24362283603065 0.12500000000000 132.905 > 31 32 Cs 0.50000000000000 0.24362283603065 0.12500000000000 132.905 > 31 33 Cs 0.83333333333333 0.24362283603065 0.12500000000000 132.905 > 31 34 Cs 0.16666666666667 0.24362283603065 0.62500000000000 132.905 > 31 35 Cs 0.50000000000000 0.24362283603065 0.62500000000000 132.905 > 31 36 Cs 0.83333333333333 0.24362283603065 0.62500000000000 132.905 > 31 37 Cs 0.16666666666667 0.75637716396935 0.37500000000000 132.905 > 25 38 Cs 0.50000000000000 0.75637716396935 0.37500000000000 132.905 > 25 39 Cs 0.83333333333333 0.75637716396935 0.37500000000000 132.905 > 25 40 Cs 0.16666666666667 0.75637716396935 0.87500000000000 132.905 > 25 41 Cs 0.50000000000000 0.75637716396935 0.87500000000000 132.905 > 25 42 Cs 0.83333333333333 0.75637716396935 0.87500000000000 132.905 > 25 43 Cs 0.00000000000000 0.74362283603065 0.12500000000000 132.905 > 31 44 Cs 0.33333333333333 0.74362283603065 0.12500000000000 132.905 > 31 45 Cs 0.66666666666667 0.74362283603065 0.12500000000000 132.905 > 31 46 Cs 0.00000000000000 0.74362283603065 0.62500000000000 132.905 > 31 47 Cs 0.33333333333333 0.74362283603065 0.62500000000000 132.905 > 31 48 Cs 0.66666666666667 0.74362283603065 0.62500000000000 132.905 > 31 49 Zn 0.16666666666667 0.03727166824005 0.37500000000000 65.380 > 49 50 Zn 0.50000000000000 0.03727166824005 0.37500000000000 65.380 > 49 51 Zn 0.83333333333333 0.03727166824005 0.37500000000000 65.380 > 49 52 Zn 0.16666666666667 0.03727166824005 0.87500000000000 65.380 > 49 53 Zn 0.50000000000000 0.03727166824005 0.87500000000000 65.380 > 49 54 Zn 0.83333333333333 0.03727166824005 0.87500000000000 65.380 > 49 55 Zn 0.00000000000000 0.46272833175995 0.12500000000000 65.380 > 55 56 Zn 0.33333333333333 0.46272833175995 0.12500000000000 65.380 > 55 57 Zn 0.66666666666667 0.46272833175995 0.12500000000000 65.380 > 55 58 Zn 0.00000000000000 0.46272833175995 0.62500000000000 65.380 > 55 59 Zn 0.33333333333333 0.46272833175995 0.62500000000000 65.380 > 55 60 Zn 0.66666666666667 0.46272833175995 0.62500000000000 65.380 > 55 61 Zn 0.00000000000000 0.53727166824005 0.37500000000000 65.380 > 49 62 Zn 0.33333333333333 0.53727166824005 0.37500000000000 65.380 > 49 63 Zn 0.66666666666667 0.53727166824005 0.37500000000000 65.380 > 49 64 Zn 0.00000000000000 0.53727166824005 0.87500000000000 65.380 > 49 65 Zn 0.33333333333333 0.53727166824005 0.87500000000000 65.380 > 49 66 Zn 0.66666666666667 0.53727166824005 0.87500000000000 65.380 > 49 67 Zn 0.16666666666667 0.96272833175995 0.12500000000000 65.380 > 55 68 Zn 0.50000000000000 0.96272833175995 0.12500000000000 65.380 > 55 69 Zn 0.83333333333333 0.96272833175995 0.12500000000000 65.380 > 55 70 Zn 0.16666666666667 0.96272833175995 0.62500000000000 65.380 > 55 71 Zn 0.50000000000000 0.96272833175995 0.62500000000000 65.380 > 55 72 Zn 0.83333333333333 0.96272833175995 0.62500000000000 65.380 > 55 73 Se 0.00000000000000 0.38140151936854 0.21998423623308 78.960 > 73 74 Se 0.33333333333333 0.38140151936854 0.21998423623308 78.960 > 73 75 Se 0.66666666666667 0.38140151936854 0.21998423623308 78.960 > 73 76 Se 0.00000000000000 0.38140151936854 0.71998423623308 78.960 > 73 77 Se 0.33333333333333 0.38140151936854 0.71998423623308 78.960 > 73 78 Se 0.66666666666667 0.38140151936854 0.71998423623308 78.960 > 73 79 Se 0.16666666666667 0.44260305361011 0.37500000000000 78.960 > 79 80 Se 0.50000000000000 0.44260305361011 0.37500000000000 78.960 > 79 81 Se 0.83333333333333 0.44260305361011 0.37500000000000 78.960 > 79 82 Se 0.16666666666667 0.44260305361011 0.87500000000000 78.960 > 79 83 Se 0.50000000000000 0.44260305361011 0.87500000000000 78.960 > 79 84 Se 0.83333333333333 0.44260305361011 0.87500000000000 78.960 > 79 85 Se 0.16666666666667 0.11859848063146 0.28001576376692 78.960 > 85 86 Se 0.50000000000000 0.11859848063146 0.28001576376692 78.960 > 85 87 Se 0.83333333333333 0.11859848063146 0.28001576376692 78.960 > 85 88 Se 0.16666666666667 0.11859848063146 0.78001576376692 78.960 > 85 89 Se 0.50000000000000 0.11859848063146 0.78001576376692 78.960 > 85 90 Se 0.83333333333333 0.11859848063146 0.78001576376692 78.960 > 85 91 Se 0.00000000000000 0.05739694638989 0.12500000000000 78.960 > 91 92 Se 0.33333333333333 0.05739694638989 0.12500000000000 78.960 > 91 93 Se 0.66666666666667 0.05739694638989 0.12500000000000 78.960 > 91 94 Se 0.00000000000000 0.05739694638989 0.62500000000000 78.960 > 91 95 Se 0.33333333333333 0.05739694638989 0.62500000000000 78.960 > 91 96 Se 0.66666666666667 0.05739694638989 0.62500000000000 78.960 > 91 97 Se 0.00000000000000 0.38140151936854 0.03001576376692 78.960 > 97 98 Se 0.33333333333333 0.38140151936854 0.03001576376692 78.960 > 97 99 Se 0.66666666666667 0.38140151936854 0.03001576376692 78.960 > 97 100 Se 0.00000000000000 0.38140151936854 0.53001576376692 78.960 > 97 101 Se 0.33333333333333 0.38140151936854 0.53001576376692 78.960 > 97 102 Se 0.66666666666667 0.38140151936854 0.53001576376692 78.960 > 97 103 Se 0.16666666666667 0.11859848063146 0.46998423623308 78.960 > 103 104 Se 0.50000000000000 0.11859848063146 0.46998423623308 78.960 > 103 105 Se 0.83333333333333 0.11859848063146 0.46998423623308 78.960 > 103 106 Se 0.16666666666667 0.11859848063146 0.96998423623308 78.960 > 103 107 Se 0.50000000000000 0.11859848063146 0.96998423623308 78.960 > 103 108 Se 0.83333333333333 0.11859848063146 0.96998423623308 78.960 > 103 109 Se 0.16666666666667 0.88140151936854 0.21998423623308 78.960 > 73 110 Se 0.50000000000000 0.88140151936854 0.21998423623308 78.960 > 73 111 Se 0.83333333333333 0.88140151936854 0.21998423623308 78.960 > 73 112 Se 0.16666666666667 0.88140151936854 0.71998423623308 78.960 > 73 113 Se 0.50000000000000 0.88140151936854 0.71998423623308 78.960 > 73 114 Se 0.83333333333333 0.88140151936854 0.71998423623308 78.960 > 73 115 Se 0.00000000000000 0.94260305361011 0.37500000000000 78.960 > 79 116 Se 0.33333333333333 0.94260305361011 0.37500000000000 78.960 > 79 117 Se 0.66666666666667 0.94260305361011 0.37500000000000 78.960 > 79 118 Se 0.00000000000000 0.94260305361011 0.87500000000000 78.960 > 79 119 Se 0.33333333333333 0.94260305361011 0.87500000000000 78.960 > 79 120 Se 0.66666666666667 0.94260305361011 0.87500000000000 78.960 > 79 121 Se 0.00000000000000 0.61859848063146 0.28001576376692 78.960 > 85 122 Se 0.33333333333333 0.61859848063146 0.28001576376692 78.960 > 85 123 Se 0.66666666666667 0.61859848063146 0.28001576376692 78.960 > 85 124 Se 0.00000000000000 0.61859848063146 0.78001576376692 78.960 > 85 125 Se 0.33333333333333 0.61859848063146 0.78001576376692 78.960 > 85 126 Se 0.66666666666667 0.61859848063146 0.78001576376692 78.960 > 85 127 Se 0.16666666666667 0.55739694638989 0.12500000000000 78.960 > 91 128 Se 0.50000000000000 0.55739694638989 0.12500000000000 78.960 > 91 129 Se 0.83333333333333 0.55739694638989 0.12500000000000 78.960 > 91 130 Se 0.16666666666667 0.55739694638989 0.62500000000000 78.960 > 91 131 Se 0.50000000000000 0.55739694638989 0.62500000000000 78.960 > 91 132 Se 0.83333333333333 0.55739694638989 0.62500000000000 78.960 > 91 133 Se 0.16666666666667 0.88140151936854 0.03001576376692 78.960 > 97 134 Se 0.50000000000000 0.88140151936854 0.03001576376692 78.960 > 97 135 Se 0.83333333333333 0.88140151936854 0.03001576376692 78.960 > 97 136 Se 0.16666666666667 0.88140151936854 0.53001576376692 78.960 > 97 137 Se 0.50000000000000 0.88140151936854 0.53001576376692 78.960 > 97 138 Se 0.83333333333333 0.88140151936854 0.53001576376692 78.960 > 97 139 Se 0.00000000000000 0.61859848063146 0.46998423623308 78.960 > 103 140 Se 0.33333333333333 0.61859848063146 0.46998423623308 78.960 > 103 141 Se 0.66666666666667 0.61859848063146 0.46998423623308 78.960 > 103 142 Se 0.00000000000000 0.61859848063146 0.96998423623308 78.960 > 103 143 Se 0.33333333333333 0.61859848063146 0.96998423623308 78.960 > 103 144 Se 0.66666666666667 0.61859848063146 0.96998423623308 78.960 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8894877 0.0000000 0.0000000 0.0000000 4.5959013 0.0000000 0.0000000 0.0000000 6.5557184 -------------------------- Born effective charges -------------------------- 1 Tb 4.8876191 0.0000000 0.0000000 0.0000000 1.6509080 -0.3729829 0.0000000 -0.5418230 4.7275952 2 Tb 4.8876191 0.0000000 0.0000000 0.0000000 1.6509080 0.3729829 0.0000000 0.5418230 4.7275952 3 Cs 1.2124319 0.0000000 0.0000000 0.0000000 1.9908778 0.0000000 0.0000000 0.0000000 1.2923807 4 Cs 1.2124319 0.0000000 0.0000000 0.0000000 1.9908778 0.0000000 0.0000000 0.0000000 1.2923807 5 Zn 1.9729064 0.0000000 0.0000000 0.0000000 0.7552162 0.0000000 0.0000000 0.0000000 1.8447887 6 Zn 1.9729064 0.0000000 0.0000000 0.0000000 0.7552162 0.0000000 0.0000000 0.0000000 1.8447887 7 Se -2.8808682 0.0000000 0.0000000 0.0000000 -1.6289764 -0.0759463 0.0000000 -0.1685780 -2.2201084 8 Se -2.3112210 0.0000000 0.0000000 0.0000000 -1.1390491 0.0000000 0.0000000 0.0000000 -3.4245477 9 Se -2.8808682 0.0000000 0.0000000 0.0000000 -1.6289764 -0.0759463 0.0000000 -0.1685780 -2.2201084 10 Se -2.3112210 0.0000000 0.0000000 0.0000000 -1.1390491 0.0000000 0.0000000 0.0000000 -3.4245477 11 Se -2.8808682 0.0000000 0.0000000 0.0000000 -1.6289764 0.0759463 0.0000000 0.1685780 -2.2201084 12 Se -2.8808682 0.0000000 0.0000000 0.0000000 -1.6289764 0.0759463 0.0000000 0.1685780 -2.2201084 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxy) 0.00000001 (xxy) 0.00000001 (xyx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.898 ( 0.000 0.000 0.000) 0.000 1.345 ( 0.000 0.000 0.000) 0.000 1.391 ( 0.000 0.000 0.000) 0.000 1.440 ( 0.000 0.000 0.000) 0.000 1.484 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.400 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 4.964 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 6.855 ( 0.000 0.000 0.000) 0.000 6.863 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 17.681 -0.267 0.000) 17.684 0.366 ( 18.798 -1.101 0.000) 18.831 0.618 ( 30.479 -6.393 0.000) 31.142 0.944 ( 4.642 0.128 0.000) 4.644 1.288 ( -5.351 1.733 0.000) 5.625 1.390 ( 4.422 0.010 0.000) 4.422 1.472 ( 3.341 -0.528 0.000) 3.383 1.655 ( 12.804 0.936 0.000) 12.838 1.678 ( 4.145 1.013 0.000) 4.267 1.757 ( -0.615 -1.503 0.000) 1.624 2.111 ( -3.521 1.684 0.000) 3.903 2.156 ( -1.775 1.996 0.000) 2.671 2.185 ( -2.788 -3.537 0.000) 4.504 2.330 ( 5.869 -1.005 0.000) 5.955 2.397 ( -0.110 0.014 0.000) 0.111 2.474 ( 9.802 0.140 0.000) 9.803 2.700 ( -0.489 0.161 0.000) 0.515 3.267 ( -3.798 -0.338 0.000) 3.813 3.805 ( 7.479 -0.032 0.000) 7.479 3.816 ( 2.676 -0.052 0.000) 2.676 3.940 ( 5.928 -0.023 0.000) 5.928 4.317 ( -0.505 -0.003 0.000) 0.505 4.359 ( -2.473 -0.080 0.000) 2.474 4.413 ( 1.124 1.682 0.000) 2.023 4.578 ( 1.103 0.154 0.000) 1.113 4.596 ( 0.983 0.308 0.000) 1.030 4.833 ( -0.669 0.075 0.000) 0.673 4.947 ( -1.076 0.180 0.000) 1.091 4.954 ( -1.087 -0.031 0.000) 1.087 5.083 ( -1.372 3.211 0.000) 3.492 5.498 ( -1.125 0.062 0.000) 1.127 5.728 ( 1.374 19.167 0.000) 19.216 5.896 ( 1.083 3.924 0.000) 4.070 6.518 ( -7.260 -9.364 0.000) 11.849 6.836 ( -1.464 1.075 0.000) 1.816 6.869 ( 0.026 -0.982 0.000) 0.982 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 18.197 1.606 0.000) 18.267 0.701 ( 15.727 -1.467 0.000) 15.795 1.058 ( 7.446 0.426 0.000) 7.458 1.180 ( 25.378 -6.161 0.000) 26.115 1.199 ( -3.090 2.506 0.000) 3.979 1.495 ( 6.783 0.660 0.000) 6.815 1.573 ( 6.858 -1.185 0.000) 6.960 1.744 ( -0.648 -1.158 0.000) 1.326 1.765 ( 5.841 4.203 0.000) 7.196 1.905 ( 12.008 0.371 0.000) 12.014 2.039 ( -2.763 0.852 0.000) 2.891 2.117 ( -2.213 -0.856 0.000) 2.373 2.157 ( -0.596 0.134 0.000) 0.610 2.417 ( 3.415 0.001 0.000) 3.415 2.457 ( 6.832 -1.045 0.000) 6.912 2.686 ( -0.936 0.231 0.000) 0.964 2.692 ( 12.805 0.235 0.000) 12.807 3.205 ( -2.535 -0.775 0.000) 2.651 3.878 ( 3.471 -0.151 0.000) 3.474 3.976 ( 9.567 -0.084 0.000) 9.567 4.073 ( 7.578 -0.399 0.000) 7.589 4.295 ( -4.120 -0.085 0.000) 4.121 4.310 ( 0.129 0.045 0.000) 0.136 4.415 ( -0.412 0.488 0.000) 0.638 4.569 ( -2.773 0.270 0.000) 2.786 4.625 ( 2.116 0.595 0.000) 2.198 4.797 ( -3.221 -0.128 0.000) 3.224 4.927 ( -1.647 -0.040 0.000) 1.648 4.930 ( -0.309 -0.067 0.000) 0.316 5.065 ( 1.371 0.748 0.000) 1.562 5.470 ( -1.615 0.104 0.000) 1.618 5.634 ( -4.338 7.530 0.000) 8.691 5.893 ( 0.739 4.905 0.000) 4.960 6.391 ( -9.551 -4.174 0.000) 10.423 6.794 ( -2.627 0.064 0.000) 2.628 6.874 ( 0.324 0.135 0.000) 0.351 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 7.931 -1.082 0.000) 8.005 0.983 ( 17.151 3.811 0.000) 17.569 1.150 ( -1.020 1.542 0.000) 1.849 1.221 ( 10.223 0.369 0.000) 10.229 1.558 ( 11.545 -1.634 0.000) 11.660 1.640 ( 7.949 -1.474 0.000) 8.084 1.713 ( 5.966 -1.807 0.000) 6.233 1.743 ( 0.170 -1.002 0.000) 1.017 1.823 ( 3.073 9.680 0.000) 10.156 2.024 ( 0.540 -0.204 0.000) 0.578 2.046 ( 2.878 0.226 0.000) 2.887 2.141 ( 7.585 -5.285 0.000) 9.245 2.165 ( 0.844 -0.903 0.000) 1.236 2.569 ( 12.718 0.200 0.000) 12.720 2.587 ( 6.334 -1.154 0.000) 6.439 2.662 ( -1.484 0.166 0.000) 1.494 2.919 ( 10.777 0.141 0.000) 10.778 3.186 ( -0.203 -1.018 0.000) 1.039 3.925 ( 0.813 -0.201 0.000) 0.838 4.118 ( 4.737 -0.139 0.000) 4.739 4.207 ( 5.818 -0.647 0.000) 5.854 4.221 ( -3.128 -0.079 0.000) 3.129 4.343 ( 3.861 0.238 0.000) 3.868 4.409 ( 0.578 0.283 0.000) 0.644 4.460 ( -8.145 -0.182 0.000) 8.147 4.653 ( 1.001 0.608 0.000) 1.172 4.743 ( -1.914 0.138 0.000) 1.919 4.897 ( -1.510 -0.047 0.000) 1.510 4.944 ( 1.584 -0.155 0.000) 1.592 5.121 ( 4.140 0.416 0.000) 4.161 5.441 ( -1.365 0.095 0.000) 1.369 5.498 ( -7.020 3.960 0.000) 8.060 5.875 ( -0.085 4.662 0.000) 4.663 6.212 ( -10.983 -2.438 0.000) 11.250 6.741 ( -2.994 -0.529 0.000) 3.041 6.880 ( 0.517 0.824 0.000) 0.972 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 1.442 0.372 0.000) 1.490 1.138 ( -0.597 -0.660 0.000) 0.890 1.249 ( 13.148 5.958 0.000) 14.435 1.413 ( 9.282 -0.131 0.000) 9.283 1.677 ( 1.740 2.882 0.000) 3.367 1.724 ( -3.141 6.711 0.000) 7.410 1.756 ( 6.577 1.184 0.000) 6.682 1.768 ( 2.458 -0.308 0.000) 2.478 1.887 ( 5.636 -5.651 0.000) 7.981 2.049 ( -1.501 -0.223 0.000) 1.517 2.054 ( 2.636 -1.608 0.000) 3.088 2.176 ( -0.572 -2.567 0.000) 2.630 2.442 ( 17.893 -3.373 0.000) 18.208 2.627 ( -2.177 0.026 0.000) 2.177 2.701 ( 5.188 -1.036 0.000) 5.291 2.835 ( 14.288 0.336 0.000) 14.292 3.069 ( 4.888 -0.340 0.000) 4.900 3.191 ( -0.202 -0.722 0.000) 0.749 3.899 ( -3.243 -0.092 0.000) 3.244 4.173 ( 2.276 0.043 0.000) 2.276 4.195 ( 0.041 0.003 0.000) 0.042 4.232 ( -6.057 -0.735 0.000) 6.101 4.350 ( 0.235 0.369 0.000) 0.438 4.427 ( 4.030 0.175 0.000) 4.034 4.458 ( 4.679 0.066 0.000) 4.680 4.667 ( 1.173 0.336 0.000) 1.220 4.731 ( 0.719 0.388 0.000) 0.817 4.874 ( -0.917 -0.087 0.000) 0.921 4.973 ( 0.937 -0.080 0.000) 0.940 5.201 ( 4.623 0.326 0.000) 4.634 5.339 ( -8.170 2.120 0.000) 8.441 5.420 ( -0.825 0.034 0.000) 0.826 5.845 ( -1.026 3.769 0.000) 3.906 6.014 ( -11.050 -1.567 0.000) 11.160 6.691 ( -2.581 -0.672 0.000) 2.667 6.884 ( 0.418 0.999 0.000) 1.083 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.161 0.010 0.000) 0.161 1.117 ( -1.958 -0.834 0.000) 2.128 1.379 ( 2.937 6.766 0.000) 7.376 1.539 ( 4.053 0.092 0.000) 4.054 1.649 ( 0.295 4.236 0.000) 4.246 1.667 ( -0.391 2.313 0.000) 2.346 1.841 ( 4.716 -0.183 0.000) 4.720 1.866 ( 4.749 1.436 0.000) 4.962 1.996 ( 2.447 -3.838 0.000) 4.552 2.016 ( -1.775 -0.388 0.000) 1.817 2.133 ( 4.040 -2.614 0.000) 4.812 2.181 ( 0.548 -3.579 0.000) 3.621 2.583 ( -2.398 -0.059 0.000) 2.399 2.758 ( 13.778 -0.810 0.000) 13.802 2.787 ( 3.619 -0.690 0.000) 3.684 3.061 ( 9.425 0.262 0.000) 9.429 3.103 ( -1.358 -1.018 0.000) 1.697 3.178 ( -1.238 -0.298 0.000) 1.273 3.833 ( -3.162 0.039 0.000) 3.162 4.104 ( -5.985 -0.609 0.000) 6.016 4.203 ( 0.582 0.092 0.000) 0.589 4.233 ( 4.389 0.204 0.000) 4.394 4.374 ( 1.230 0.699 0.000) 1.415 4.467 ( 0.084 0.022 0.000) 0.087 4.580 ( 7.858 0.073 0.000) 7.858 4.705 ( 3.074 0.176 0.000) 3.079 4.757 ( 1.872 0.311 0.000) 1.898 4.863 ( -0.327 -0.114 0.000) 0.346 4.966 ( -1.815 -0.063 0.000) 1.816 5.177 ( -8.094 0.944 0.000) 8.149 5.297 ( 5.964 0.313 0.000) 5.972 5.409 ( -0.419 -0.024 0.000) 0.420 5.780 ( -7.067 0.562 0.000) 7.089 5.842 ( -4.927 0.844 0.000) 4.999 6.654 ( -1.687 -0.518 0.000) 1.765 6.885 ( 0.182 0.774 0.000) 0.795 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.059 -0.415 0.000) 0.419 1.085 ( -1.235 -0.028 0.000) 1.235 1.342 ( -1.632 2.771 0.000) 3.216 1.580 ( 0.883 0.152 0.000) 0.896 1.654 ( -0.143 0.627 0.000) 0.643 1.677 ( 2.263 1.895 0.000) 2.952 1.915 ( 1.417 0.607 0.000) 1.541 1.916 ( 2.422 -0.138 0.000) 2.426 1.994 ( -0.709 -0.188 0.000) 0.734 2.008 ( -1.182 -1.149 0.000) 1.649 2.211 ( 2.657 -1.463 0.000) 3.033 2.229 ( 1.538 -1.610 0.000) 2.227 2.548 ( -1.156 -0.032 0.000) 1.156 2.833 ( 1.218 -0.212 0.000) 1.236 2.957 ( 7.451 1.343 0.000) 7.571 3.054 ( -3.878 -1.602 0.000) 4.196 3.155 ( -1.149 -0.250 0.000) 1.175 3.176 ( 3.029 0.096 0.000) 3.030 3.792 ( -1.127 0.040 0.000) 1.128 4.032 ( -1.935 -0.266 0.000) 1.953 4.210 ( 0.173 0.054 0.000) 0.181 4.330 ( 5.570 0.229 0.000) 5.575 4.385 ( 0.314 0.351 0.000) 0.471 4.431 ( -3.714 -0.127 0.000) 3.716 4.717 ( 5.109 0.147 0.000) 5.111 4.776 ( 3.031 0.039 0.000) 3.031 4.789 ( 3.249 -0.004 0.000) 3.249 4.861 ( -0.048 -0.056 0.000) 0.074 4.903 ( -4.936 0.047 0.000) 4.936 5.044 ( -4.782 0.184 0.000) 4.786 5.404 ( -0.137 -0.021 0.000) 0.139 5.429 ( 8.174 0.464 0.000) 8.187 5.605 ( -9.781 -0.651 0.000) 9.803 5.801 ( -0.650 0.808 0.000) 1.037 6.634 ( -0.581 -0.192 0.000) 0.611 6.884 ( 0.032 0.289 0.000) 0.291 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 18.660 -0.000 0.000) 18.660 0.693 ( 15.831 -0.000 0.000) 15.831 1.060 ( 7.470 -0.000 0.000) 7.470 1.148 ( 26.214 -0.000 0.000) 26.214 1.211 ( -3.377 0.000 0.000) 3.377 1.498 ( 6.706 -0.000 0.000) 6.706 1.567 ( 6.956 -0.000 0.000) 6.956 1.738 ( -0.680 0.000 0.000) 0.680 1.787 ( 7.241 -0.000 0.000) 7.241 1.907 ( 12.107 -0.000 0.000) 12.107 2.041 ( -4.385 0.000 0.000) 4.385 2.114 ( -2.428 0.000 0.000) 2.428 2.158 ( -0.307 0.000 0.000) 0.307 2.417 ( 3.425 -0.000 0.000) 3.425 2.451 ( 6.910 -0.000 0.000) 6.910 2.687 ( -0.964 0.000 0.000) 0.964 2.693 ( 12.783 -0.000 0.000) 12.783 3.201 ( -2.552 0.000 0.000) 2.552 3.877 ( 3.462 -0.000 0.000) 3.462 3.976 ( 9.556 -0.000 0.000) 9.556 4.071 ( 7.516 -0.000 0.000) 7.516 4.295 ( -4.157 0.000 0.000) 4.157 4.310 ( 0.210 -0.000 0.000) 0.210 4.417 ( -0.605 0.000 0.000) 0.605 4.571 ( -2.905 0.000 0.000) 2.905 4.628 ( 2.136 -0.000 0.000) 2.136 4.797 ( -3.216 0.000 0.000) 3.216 4.927 ( -1.643 0.000 0.000) 1.643 4.929 ( -0.371 0.000 0.000) 0.371 5.069 ( 1.075 -0.000 0.000) 1.075 5.471 ( -1.622 0.000 0.000) 1.622 5.669 ( -6.747 0.000 0.000) 6.747 5.923 ( 0.163 -0.000 0.000) 0.163 6.367 ( -8.343 0.000 0.000) 8.343 6.794 ( -2.860 0.000 0.000) 2.860 6.875 ( 0.562 -0.000 0.000) 0.562 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 8.543 -0.382 0.000) 8.551 1.012 ( 17.705 1.725 0.000) 17.788 1.160 ( -1.944 0.568 0.000) 2.025 1.223 ( 10.016 0.124 0.000) 10.017 1.540 ( 14.489 -1.332 0.000) 14.550 1.631 ( 7.356 -0.392 0.000) 7.366 1.703 ( 5.866 -0.495 0.000) 5.887 1.736 ( 0.507 -0.373 0.000) 0.630 1.915 ( 0.473 8.762 0.000) 8.775 1.995 ( 3.679 -5.813 0.000) 6.880 2.048 ( 2.678 0.081 0.000) 2.679 2.111 ( 5.763 -0.851 0.000) 5.826 2.156 ( -0.179 -0.758 0.000) 0.779 2.570 ( 12.794 0.073 0.000) 12.795 2.579 ( 6.437 -0.444 0.000) 6.452 2.663 ( -1.545 0.060 0.000) 1.546 2.920 ( 10.676 0.056 0.000) 10.676 3.179 ( -0.110 -0.376 0.000) 0.392 3.924 ( 0.842 -0.073 0.000) 0.845 4.117 ( 4.771 -0.051 0.000) 4.771 4.203 ( 5.890 -0.215 0.000) 5.893 4.221 ( -3.095 -0.028 0.000) 3.095 4.345 ( 3.864 0.086 0.000) 3.865 4.411 ( 0.629 0.116 0.000) 0.639 4.458 ( -8.307 -0.065 0.000) 8.307 4.657 ( 0.852 0.211 0.000) 0.878 4.744 ( -1.781 0.049 0.000) 1.782 4.896 ( -1.513 -0.017 0.000) 1.513 4.943 ( 1.623 -0.053 0.000) 1.623 5.123 ( 4.044 0.144 0.000) 4.046 5.442 ( -1.389 0.034 0.000) 1.390 5.523 ( -8.253 1.263 0.000) 8.349 5.911 ( -0.704 2.185 0.000) 2.296 6.193 ( -10.421 -1.205 0.000) 10.490 6.738 ( -3.054 -0.179 0.000) 3.059 6.885 ( 0.575 0.285 0.000) 0.642 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 1.697 0.263 0.000) 1.717 1.132 ( -1.170 -0.432 0.000) 1.247 1.298 ( 13.643 3.865 0.000) 14.180 1.412 ( 9.226 -0.067 0.000) 9.227 1.698 ( 2.178 1.496 0.000) 2.642 1.762 ( 5.854 0.869 0.000) 5.918 1.766 ( 2.694 -0.171 0.000) 2.699 1.785 ( -0.583 4.273 0.000) 4.312 1.841 ( 3.048 -3.394 0.000) 4.562 2.042 ( 1.708 -0.768 0.000) 1.873 2.047 ( -1.627 -0.127 0.000) 1.632 2.150 ( -1.166 -2.415 0.000) 2.682 2.415 ( 19.289 -1.945 0.000) 19.387 2.628 ( -2.234 0.015 0.000) 2.234 2.693 ( 5.374 -0.598 0.000) 5.407 2.837 ( 14.267 0.189 0.000) 14.269 3.067 ( 4.614 -0.193 0.000) 4.618 3.185 ( 0.092 -0.403 0.000) 0.414 3.898 ( -3.170 -0.053 0.000) 3.171 4.173 ( 2.375 0.026 0.000) 2.375 4.195 ( 0.071 -0.000 0.000) 0.071 4.227 ( -5.998 -0.397 0.000) 6.011 4.353 ( 0.449 0.217 0.000) 0.499 4.429 ( 3.961 0.099 0.000) 3.962 4.459 ( 4.655 0.035 0.000) 4.656 4.670 ( 1.068 0.200 0.000) 1.087 4.734 ( 0.709 0.211 0.000) 0.740 4.873 ( -0.931 -0.049 0.000) 0.932 4.972 ( 0.958 -0.048 0.000) 0.959 5.204 ( 4.592 0.179 0.000) 4.595 5.355 ( -8.926 1.096 0.000) 8.993 5.420 ( -0.858 0.019 0.000) 0.858 5.878 ( -1.601 2.802 0.000) 3.227 5.998 ( -10.842 -1.478 0.000) 10.943 6.686 ( -2.516 -0.352 0.000) 2.541 6.892 ( 0.323 0.537 0.000) 0.626 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.233 0.016 0.000) 0.233 1.110 ( -1.578 -0.598 0.000) 1.687 1.439 ( 2.174 5.376 0.000) 5.799 1.540 ( 4.202 0.056 0.000) 4.203 1.681 ( -1.678 2.045 0.000) 2.646 1.693 ( -0.680 3.130 0.000) 3.203 1.839 ( 4.682 -0.121 0.000) 4.683 1.880 ( 4.662 1.603 0.000) 4.929 1.958 ( 3.678 -3.846 0.000) 5.321 2.013 ( -1.750 -0.279 0.000) 1.772 2.111 ( 4.538 -1.834 0.000) 4.895 2.147 ( 0.547 -3.180 0.000) 3.227 2.583 ( -2.406 -0.041 0.000) 2.406 2.751 ( 15.012 -0.578 0.000) 15.023 2.782 ( 3.776 -0.488 0.000) 3.808 3.063 ( 9.353 0.185 0.000) 9.355 3.095 ( -1.441 -0.628 0.000) 1.572 3.175 ( -1.296 -0.283 0.000) 1.327 3.834 ( -3.131 0.026 0.000) 3.131 4.099 ( -5.879 -0.436 0.000) 5.895 4.204 ( 0.584 0.069 0.000) 0.588 4.234 ( 4.438 0.142 0.000) 4.440 4.380 ( 1.211 0.509 0.000) 1.314 4.468 ( 0.011 0.016 0.000) 0.019 4.580 ( 7.887 0.055 0.000) 7.887 4.706 ( 3.000 0.138 0.000) 3.004 4.760 ( 1.769 0.196 0.000) 1.780 4.862 ( -0.319 -0.082 0.000) 0.329 4.966 ( -1.802 -0.048 0.000) 1.802 5.185 ( -8.579 0.645 0.000) 8.603 5.300 ( 6.007 0.211 0.000) 6.011 5.409 ( -0.433 -0.017 0.000) 0.433 5.784 ( -9.405 0.320 0.000) 9.410 5.850 ( -3.134 0.704 0.000) 3.212 6.649 ( -1.549 -0.347 0.000) 1.587 6.892 ( -0.022 0.529 0.000) 0.530 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.437 -0.112 0.000) 0.451 1.084 ( -1.230 -0.263 0.000) 1.257 1.371 ( -4.045 3.030 0.000) 5.054 1.582 ( 0.782 0.140 0.000) 0.794 1.653 ( -1.302 -0.405 0.000) 1.363 1.700 ( 0.838 2.208 0.000) 2.362 1.915 ( 2.532 -0.112 0.000) 2.535 1.921 ( 0.747 0.529 0.000) 0.915 1.992 ( -0.540 -0.159 0.000) 0.563 1.993 ( -0.150 -1.760 0.000) 1.766 2.198 ( 3.988 -0.999 0.000) 4.111 2.215 ( 3.241 -1.165 0.000) 3.444 2.547 ( -1.126 -0.026 0.000) 1.126 2.832 ( 1.452 -0.138 0.000) 1.459 2.970 ( 8.338 1.266 0.000) 8.434 3.040 ( -4.144 -1.068 0.000) 4.279 3.150 ( -1.213 -0.661 0.000) 1.382 3.177 ( 2.937 0.080 0.000) 2.938 3.792 ( -1.160 0.030 0.000) 1.160 4.030 ( -1.693 -0.229 0.000) 1.708 4.210 ( 0.128 0.047 0.000) 0.136 4.332 ( 5.525 0.189 0.000) 5.528 4.389 ( 0.009 0.318 0.000) 0.318 4.430 ( -3.762 -0.104 0.000) 3.764 4.719 ( 5.052 0.114 0.000) 5.053 4.777 ( 3.333 0.164 0.000) 3.337 4.788 ( 2.738 -0.146 0.000) 2.742 4.860 ( 0.001 -0.049 0.000) 0.049 4.904 ( -4.849 0.040 0.000) 4.849 5.045 ( -5.031 0.152 0.000) 5.034 5.404 ( -0.120 -0.017 0.000) 0.122 5.433 ( 8.241 0.382 0.000) 8.250 5.599 ( -9.708 -0.512 0.000) 9.721 5.808 ( -1.387 0.653 0.000) 1.533 6.632 ( -0.399 -0.155 0.000) 0.428 6.887 ( -0.242 0.236 0.000) 0.338 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.074 0.742 0.000) 0.745 1.084 ( 1.518 -0.334 0.000) 1.554 1.319 ( -1.009 -1.847 0.000) 2.105 1.579 ( -1.009 -0.126 0.000) 1.017 1.635 ( -1.674 -2.779 0.000) 3.244 1.671 ( -2.781 0.114 0.000) 2.784 1.909 ( -1.942 -0.664 0.000) 2.052 1.917 ( -2.301 0.134 0.000) 2.305 1.995 ( 0.887 0.173 0.000) 0.904 2.015 ( 2.049 0.440 0.000) 2.095 2.226 ( -1.231 1.651 0.000) 2.059 2.245 ( -0.078 1.557 0.000) 1.559 2.548 ( 1.187 0.031 0.000) 1.188 2.836 ( -0.979 0.263 0.000) 1.014 2.945 ( -6.858 -1.086 0.000) 6.943 3.071 ( 3.769 1.894 0.000) 4.218 3.154 ( 1.273 -0.383 0.000) 1.329 3.175 ( -3.128 -0.090 0.000) 3.129 3.792 ( 1.093 -0.041 0.000) 1.094 4.035 ( 2.187 0.239 0.000) 2.200 4.209 ( -0.221 -0.047 0.000) 0.226 4.328 ( -5.616 -0.216 0.000) 5.620 4.382 ( -0.640 -0.298 0.000) 0.706 4.432 ( 3.661 0.121 0.000) 3.663 4.716 ( -5.125 -0.144 0.000) 5.127 4.776 ( -2.747 0.072 0.000) 2.748 4.788 ( -3.804 -0.123 0.000) 3.806 4.861 ( 0.101 0.050 0.000) 0.113 4.903 ( 5.025 -0.043 0.000) 5.025 5.042 ( 4.515 -0.173 0.000) 4.518 5.404 ( 0.155 0.020 0.000) 0.156 5.424 ( -8.111 -0.440 0.000) 8.123 5.611 ( 9.927 0.653 0.000) 9.948 5.793 ( -0.189 -0.787 0.000) 0.809 6.636 ( 0.782 0.186 0.000) 0.804 6.882 ( -0.333 -0.277 0.000) 0.433 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.576 0.003 0.000) 0.576 1.126 ( 2.354 0.877 0.000) 2.512 1.313 ( -3.945 -6.530 0.000) 7.630 1.538 ( -3.873 -0.115 0.000) 3.875 1.606 ( -1.757 -4.302 0.000) 4.647 1.646 ( -0.303 -2.013 0.000) 2.035 1.843 ( -4.756 0.209 0.000) 4.760 1.853 ( -4.826 -1.250 0.000) 4.985 2.020 ( 1.806 0.405 0.000) 1.850 2.030 ( -0.715 3.132 0.000) 3.213 2.160 ( -3.872 2.923 0.000) 4.852 2.214 ( -0.953 2.914 0.000) 3.066 2.584 ( 2.389 0.064 0.000) 2.389 2.766 ( -12.330 0.879 0.000) 12.362 2.794 ( -3.379 0.732 0.000) 3.457 3.058 ( -9.513 -0.281 0.000) 9.517 3.115 ( 1.090 1.274 0.000) 1.676 3.181 ( 1.348 0.154 0.000) 1.357 3.833 ( 3.200 -0.045 0.000) 3.200 4.110 ( 6.124 0.635 0.000) 6.156 4.202 ( -0.571 -0.090 0.000) 0.578 4.230 ( -4.337 -0.222 0.000) 4.343 4.367 ( -1.254 -0.715 0.000) 1.444 4.467 ( -0.173 -0.022 0.000) 0.174 4.579 ( -7.837 -0.073 0.000) 7.837 4.703 ( -3.155 -0.162 0.000) 3.159 4.754 ( -1.980 -0.375 0.000) 2.015 4.864 ( 0.338 0.121 0.000) 0.359 4.967 ( 1.826 0.057 0.000) 1.827 5.167 ( 7.469 -1.049 0.000) 7.542 5.294 ( -5.932 -0.352 0.000) 5.942 5.409 ( 0.403 0.026 0.000) 0.404 5.774 ( 3.990 -0.744 0.000) 4.059 5.835 ( 7.382 -0.698 0.000) 7.415 6.659 ( 1.879 0.592 0.000) 1.970 6.877 ( -0.453 -0.864 0.000) 0.975 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -1.164 -0.320 0.000) 1.207 1.144 ( -0.134 0.645 0.000) 0.659 1.188 ( -12.191 -6.227 0.000) 13.689 1.415 ( -9.346 0.181 0.000) 9.348 1.634 ( -0.365 -6.379 0.000) 6.389 1.666 ( 1.196 -4.215 0.000) 4.381 1.745 ( -6.611 -1.183 0.000) 6.716 1.772 ( -2.135 0.378 0.000) 2.168 1.946 ( -5.372 6.297 0.000) 8.277 2.051 ( 1.324 0.265 0.000) 1.351 2.072 ( -3.795 2.024 0.000) 4.301 2.196 ( -0.433 1.423 0.000) 1.488 2.478 ( -16.164 3.949 0.000) 16.640 2.627 ( 2.095 -0.030 0.000) 2.096 2.712 ( -4.972 1.201 0.000) 5.115 2.831 ( -14.316 -0.408 0.000) 14.322 3.073 ( -5.262 0.409 0.000) 5.278 3.199 ( 0.585 0.881 0.000) 1.058 3.900 ( 3.345 0.108 0.000) 3.347 4.172 ( -2.146 -0.047 0.000) 2.146 4.195 ( 0.010 -0.009 0.000) 0.013 4.241 ( 6.179 0.947 0.000) 6.251 4.346 ( 0.095 -0.414 0.000) 0.425 4.425 ( -4.127 -0.210 0.000) 4.133 4.457 ( -4.711 -0.089 0.000) 4.712 4.664 ( -1.334 -0.376 0.000) 1.386 4.726 ( -0.730 -0.487 0.000) 0.877 4.875 ( 0.897 0.105 0.000) 0.903 4.974 ( -0.904 0.083 0.000) 0.908 5.198 ( -4.678 -0.406 0.000) 4.695 5.315 ( 6.906 -2.883 0.000) 7.484 5.420 ( 0.779 -0.041 0.000) 0.781 5.808 ( 0.301 -3.605 0.000) 3.618 6.027 ( 11.437 1.201 0.000) 11.500 6.699 ( 2.704 0.917 0.000) 2.855 6.873 ( -0.582 -1.310 0.000) 1.434 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -15.674 -3.488 0.000) 16.057 0.950 ( -6.736 1.602 0.000) 6.923 1.131 ( -0.588 -2.109 0.000) 2.189 1.216 ( -10.679 -0.590 0.000) 10.695 1.565 ( -8.216 -0.123 0.000) 8.217 1.650 ( -6.275 -0.364 0.000) 6.286 1.712 ( -0.436 -6.882 0.000) 6.896 1.755 ( 0.370 1.346 0.000) 1.396 1.764 ( -11.639 2.949 0.000) 12.006 2.017 ( -1.333 -0.977 0.000) 1.653 2.043 ( -3.237 -0.324 0.000) 3.253 2.170 ( -1.875 0.005 0.000) 1.875 2.199 ( -8.062 6.205 0.000) 10.173 2.566 ( -12.582 -0.279 0.000) 12.585 2.600 ( -6.216 1.463 0.000) 6.385 2.660 ( 1.376 -0.235 0.000) 1.396 2.917 ( -10.952 -0.167 0.000) 10.954 3.198 ( 0.356 1.382 0.000) 1.428 3.927 ( -0.761 0.282 0.000) 0.811 4.120 ( -4.678 0.194 0.000) 4.682 4.215 ( -5.639 1.045 0.000) 5.735 4.222 ( 3.187 0.113 0.000) 3.189 4.341 ( -3.855 -0.335 0.000) 3.870 4.406 ( -0.594 -0.303 0.000) 0.667 4.462 ( 7.976 0.299 0.000) 7.982 4.645 ( -1.328 -0.947 0.000) 1.631 4.741 ( 2.167 -0.198 0.000) 2.176 4.897 ( 1.503 0.065 0.000) 1.504 4.946 ( -1.495 0.246 0.000) 1.515 5.115 ( -4.320 -0.627 0.000) 4.365 5.440 ( 1.322 -0.136 0.000) 1.329 5.446 ( 4.334 -6.605 0.000) 7.899 5.830 ( -0.021 -4.379 0.000) 4.379 6.236 ( 11.647 2.307 0.000) 11.873 6.748 ( 2.877 0.858 0.000) 3.002 6.869 ( -0.402 -1.272 0.000) 1.334 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -16.084 0.281 0.000) 16.087 0.721 ( -15.479 2.686 0.000) 15.710 1.052 ( -7.387 -0.911 0.000) 7.443 1.165 ( 2.362 -4.216 0.000) 4.832 1.255 ( -23.462 8.579 0.000) 24.981 1.487 ( -6.964 -0.922 0.000) 7.025 1.587 ( -6.533 1.584 0.000) 6.723 1.713 ( -3.350 -5.946 0.000) 6.825 1.759 ( 0.512 1.877 0.000) 1.945 1.899 ( -11.735 -0.697 0.000) 11.755 2.019 ( 0.402 -3.191 0.000) 3.217 2.131 ( 0.247 1.338 0.000) 1.361 2.158 ( 1.754 0.582 0.000) 1.848 2.417 ( -3.383 0.001 0.000) 3.383 2.470 ( -6.681 1.576 0.000) 6.865 2.682 ( 0.859 -0.411 0.000) 0.953 2.688 ( -12.869 -0.398 0.000) 12.875 3.216 ( 2.492 1.329 0.000) 2.825 3.880 ( -3.495 0.268 0.000) 3.505 3.977 ( -9.596 0.144 0.000) 9.597 4.079 ( -7.750 0.868 0.000) 7.798 4.296 ( 4.008 0.153 0.000) 4.011 4.310 ( 0.107 -0.080 0.000) 0.134 4.407 ( -0.243 -0.970 0.000) 1.000 4.565 ( 2.234 -0.620 0.000) 2.318 4.617 ( -1.921 -1.047 0.000) 2.188 4.799 ( 3.246 0.297 0.000) 3.260 4.928 ( 1.660 0.067 0.000) 1.661 4.931 ( 0.076 0.126 0.000) 0.147 5.055 ( -2.094 -1.268 0.000) 2.448 5.469 ( 1.594 -0.189 0.000) 1.605 5.524 ( -2.142 -14.344 0.000) 14.503 5.852 ( 0.561 -2.980 0.000) 3.032 6.435 ( 11.168 4.313 0.000) 11.972 6.793 ( 1.951 -0.166 0.000) 1.958 6.872 ( 0.366 -0.180 0.000) 0.408 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( -13.614 6.114 0.000) 14.924 0.386 ( -18.108 2.924 0.000) 18.343 0.719 ( -26.609 13.082 0.000) 29.651 0.941 ( -4.559 -0.454 0.000) 4.582 1.256 ( 4.974 -4.599 0.000) 6.774 1.390 ( -3.914 0.068 0.000) 3.914 1.482 ( -3.498 1.608 0.000) 3.850 1.642 ( -12.356 -1.500 0.000) 12.447 1.659 ( -3.914 -2.881 0.000) 4.860 1.780 ( 0.379 2.899 0.000) 2.924 2.072 ( 2.842 -5.734 0.000) 6.399 2.150 ( 2.180 -0.088 0.000) 2.182 2.222 ( 5.882 3.798 0.000) 7.001 2.346 ( -5.095 2.070 0.000) 5.500 2.397 ( 0.088 -0.034 0.000) 0.094 2.471 ( -9.765 -0.382 0.000) 9.773 2.697 ( 0.461 -0.446 0.000) 0.642 3.273 ( 3.726 0.913 0.000) 3.837 3.806 ( -7.460 0.088 0.000) 7.461 3.817 ( -2.726 0.143 0.000) 2.730 3.941 ( -6.117 0.105 0.000) 6.118 4.317 ( 0.542 0.018 0.000) 0.543 4.361 ( 2.473 0.211 0.000) 2.482 4.377 ( -5.883 -5.944 0.000) 8.363 4.574 ( -0.532 -0.771 0.000) 0.937 4.591 ( -1.368 -0.489 0.000) 1.453 4.831 ( -0.012 -0.532 0.000) 0.532 4.937 ( -0.940 -2.744 0.000) 2.900 4.954 ( 1.096 0.084 0.000) 1.099 5.027 ( -6.168 -6.960 0.000) 9.300 5.469 ( -15.406 -25.385 0.000) 29.694 5.496 ( 1.120 -0.178 0.000) 1.134 5.880 ( 1.368 -0.371 0.000) 1.418 6.614 ( 11.783 8.106 0.000) 14.302 6.821 ( 0.636 -1.749 0.000) 1.861 6.882 ( 0.810 1.496 0.000) 1.701 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.082 ( 0.000 8.229 0.000) 8.229 0.163 ( 0.000 16.587 0.000) 16.587 0.241 ( 0.000 24.545 0.000) 24.545 0.898 ( -0.000 -0.178 0.000) 0.178 1.348 ( 0.000 0.548 0.000) 0.548 1.366 ( -0.000 -4.758 0.000) 4.758 1.446 ( 0.000 1.096 0.000) 1.096 1.484 ( -0.000 -0.031 0.000) 0.031 1.620 ( -0.000 -1.710 0.000) 1.710 1.773 ( 0.000 2.372 0.000) 2.372 2.161 ( -0.000 -6.997 0.000) 6.997 2.188 ( -0.000 -0.681 0.000) 0.681 2.274 ( 0.000 4.164 0.000) 4.164 2.348 ( 0.000 0.164 0.000) 0.164 2.400 ( -0.000 -0.049 0.000) 0.049 2.577 ( -0.000 -3.040 0.000) 3.040 2.703 ( -0.000 -0.339 0.000) 0.339 3.318 ( 0.000 0.402 0.000) 0.402 3.731 ( 0.000 0.069 0.000) 0.069 3.747 ( 0.000 0.100 0.000) 0.100 3.789 ( 0.000 0.061 0.000) 0.061 3.879 ( 0.000 0.090 0.000) 0.090 4.322 ( 0.000 0.043 0.000) 0.043 4.383 ( 0.000 0.153 0.000) 0.153 4.562 ( 0.000 0.048 0.000) 0.048 4.591 ( 0.000 0.244 0.000) 0.244 4.608 ( 0.000 0.043 0.000) 0.043 4.848 ( 0.000 0.097 0.000) 0.097 4.963 ( 0.000 0.694 0.000) 0.694 4.964 ( 0.000 0.070 0.000) 0.070 5.298 ( -0.000 -2.045 0.000) 2.045 5.508 ( -0.000 -0.126 0.000) 0.126 5.896 ( 0.000 0.253 0.000) 0.253 6.804 ( 0.000 0.014 0.000) 0.014 6.836 ( -0.000 -2.292 0.000) 2.292 6.881 ( 0.000 2.121 0.000) 2.121 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 1.808 -0.000 0.000) 1.808 1.130 ( -1.395 0.000 0.000) 1.395 1.318 ( 13.788 -0.000 0.000) 13.788 1.412 ( 9.204 -0.000 0.000) 9.204 1.706 ( 2.358 -0.000 0.000) 2.358 1.765 ( 2.780 -0.000 0.000) 2.780 1.766 ( 6.918 -0.000 0.000) 6.918 1.804 ( 7.326 -0.000 0.000) 7.326 1.827 ( -6.331 0.000 0.000) 6.331 2.038 ( 1.434 -0.000 0.000) 1.434 2.046 ( -1.673 0.000 0.000) 1.673 2.137 ( -1.342 0.000 0.000) 1.342 2.405 ( 19.826 -0.000 0.000) 19.826 2.628 ( -2.255 0.000 0.000) 2.255 2.690 ( 5.447 -0.000 0.000) 5.447 2.838 ( 14.260 -0.000 0.000) 14.260 3.066 ( 4.513 -0.000 0.000) 4.513 3.183 ( 0.203 -0.000 0.000) 0.203 3.898 ( -3.144 0.000 0.000) 3.144 4.173 ( 2.412 -0.000 0.000) 2.412 4.195 ( 0.080 -0.000 0.000) 0.080 4.225 ( -5.982 0.000 0.000) 5.982 4.354 ( 0.524 -0.000 0.000) 0.524 4.429 ( 3.936 -0.000 0.000) 3.936 4.459 ( 4.647 -0.000 0.000) 4.647 4.671 ( 1.032 -0.000 0.000) 1.032 4.735 ( 0.706 -0.000 0.000) 0.706 4.873 ( -0.936 0.000 0.000) 0.936 4.972 ( 0.965 -0.000 0.000) 0.965 5.205 ( 4.582 -0.000 0.000) 4.582 5.361 ( -9.171 0.000 0.000) 9.171 5.420 ( -0.869 0.000 0.000) 0.869 5.893 ( -1.686 0.000 0.000) 1.686 5.990 ( -10.915 0.000 0.000) 10.915 6.684 ( -2.496 0.000 0.000) 2.496 6.894 ( 0.292 -0.000 0.000) 0.292 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.481 0.008 0.000) 0.481 1.106 ( -1.337 -0.218 0.000) 1.354 1.477 ( 1.740 2.119 0.000) 2.742 1.540 ( 4.287 0.018 0.000) 4.287 1.694 ( -2.034 0.668 0.000) 2.140 1.717 ( -1.917 1.360 0.000) 2.350 1.838 ( 4.661 -0.042 0.000) 4.662 1.897 ( 5.003 1.838 0.000) 5.330 1.924 ( 3.845 -2.805 0.000) 4.760 2.011 ( -1.735 -0.102 0.000) 1.738 2.098 ( 5.147 -0.672 0.000) 5.191 2.124 ( 0.698 -1.328 0.000) 1.500 2.582 ( -2.410 -0.014 0.000) 2.410 2.747 ( 15.717 -0.211 0.000) 15.719 2.778 ( 3.850 -0.176 0.000) 3.854 3.064 ( 9.313 0.067 0.000) 9.313 3.091 ( -1.434 -0.208 0.000) 1.449 3.173 ( -1.383 -0.116 0.000) 1.388 3.834 ( -3.113 0.009 0.000) 3.113 4.096 ( -5.822 -0.158 0.000) 5.824 4.204 ( 0.584 0.026 0.000) 0.585 4.235 ( 4.468 0.051 0.000) 4.469 4.384 ( 1.201 0.186 0.000) 1.216 4.468 ( -0.031 0.006 0.000) 0.032 4.581 ( 7.908 0.020 0.000) 7.908 4.707 ( 2.957 0.053 0.000) 2.957 4.761 ( 1.707 0.066 0.000) 1.708 4.862 ( -0.314 -0.030 0.000) 0.316 4.966 ( -1.793 -0.018 0.000) 1.793 5.189 ( -8.841 0.228 0.000) 8.844 5.301 ( 6.039 0.074 0.000) 6.040 5.408 ( -0.440 -0.006 0.000) 0.440 5.786 ( -10.566 0.101 0.000) 10.567 5.855 ( -2.291 0.274 0.000) 2.307 6.647 ( -1.478 -0.122 0.000) 1.483 6.895 ( -0.131 0.187 0.000) 0.229 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.867 0.034 0.000) 0.868 1.081 ( -1.392 -0.248 0.000) 1.414 1.397 ( -5.765 2.086 0.000) 6.130 1.583 ( 0.719 0.084 0.000) 0.724 1.649 ( -2.440 -0.390 0.000) 2.471 1.717 ( -0.113 1.238 0.000) 1.243 1.914 ( 2.608 -0.062 0.000) 2.609 1.926 ( -0.103 0.473 0.000) 0.484 1.976 ( 1.138 -1.541 0.000) 1.915 1.991 ( -0.420 -0.091 0.000) 0.430 2.191 ( 4.918 -0.455 0.000) 4.939 2.207 ( 4.573 -0.580 0.000) 4.610 2.547 ( -1.105 -0.014 0.000) 1.105 2.831 ( 1.629 -0.066 0.000) 1.630 2.980 ( 9.216 0.732 0.000) 9.245 3.033 ( -4.414 -0.420 0.000) 4.434 3.143 ( -1.435 -0.589 0.000) 1.551 3.178 ( 2.872 0.045 0.000) 2.872 3.793 ( -1.183 0.016 0.000) 1.183 4.028 ( -1.520 -0.132 0.000) 1.525 4.211 ( 0.096 0.028 0.000) 0.100 4.334 ( 5.492 0.107 0.000) 5.493 4.391 ( -0.204 0.190 0.000) 0.278 4.429 ( -3.795 -0.058 0.000) 3.795 4.719 ( 4.984 0.060 0.000) 4.984 4.779 ( 3.946 0.244 0.000) 3.954 4.786 ( 2.006 -0.238 0.000) 2.020 4.860 ( 0.035 -0.029 0.000) 0.045 4.904 ( -4.786 0.023 0.000) 4.786 5.047 ( -5.207 0.086 0.000) 5.208 5.403 ( -0.108 -0.009 0.000) 0.109 5.436 ( 8.292 0.215 0.000) 8.295 5.595 ( -9.684 -0.279 0.000) 9.688 5.813 ( -1.887 0.364 0.000) 1.921 6.631 ( -0.274 -0.086 0.000) 0.287 6.889 ( -0.432 0.132 0.000) 0.452 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.220 0.920 0.000) 0.946 1.079 ( 2.164 -0.637 0.000) 2.256 1.306 ( -3.337 -0.870 0.000) 3.449 1.578 ( -1.127 -0.079 0.000) 1.129 1.609 ( -2.680 -2.356 0.000) 3.568 1.673 ( -3.403 0.283 0.000) 3.415 1.903 ( -2.286 -0.547 0.000) 2.350 1.918 ( -2.197 0.097 0.000) 2.199 1.997 ( 1.033 0.120 0.000) 1.040 2.017 ( 2.772 0.049 0.000) 2.773 2.241 ( -0.034 1.442 0.000) 1.442 2.257 ( 0.806 0.941 0.000) 1.239 2.548 ( 1.214 0.023 0.000) 1.214 2.838 ( -0.778 0.235 0.000) 0.813 2.936 ( -6.522 -0.684 0.000) 6.557 3.090 ( 3.753 1.901 0.000) 4.207 3.147 ( 1.465 -0.954 0.000) 1.748 3.174 ( -3.210 -0.063 0.000) 3.211 3.791 ( 1.064 -0.031 0.000) 1.065 4.037 ( 2.391 0.162 0.000) 2.397 4.209 ( -0.261 -0.032 0.000) 0.262 4.326 ( -5.653 -0.153 0.000) 5.655 4.380 ( -0.912 -0.191 0.000) 0.932 4.433 ( 3.615 0.086 0.000) 3.616 4.715 ( -5.108 -0.104 0.000) 5.109 4.778 ( -2.260 0.139 0.000) 2.264 4.787 ( -4.549 -0.187 0.000) 4.553 4.862 ( 0.145 0.033 0.000) 0.149 4.903 ( 5.097 -0.031 0.000) 5.097 5.040 ( 4.293 -0.123 0.000) 4.295 5.404 ( 0.170 0.014 0.000) 0.171 5.420 ( -8.064 -0.313 0.000) 8.070 5.617 ( 10.118 0.491 0.000) 10.130 5.786 ( -0.949 -0.578 0.000) 1.111 6.637 ( 0.957 0.135 0.000) 0.967 6.879 ( -0.589 -0.199 0.000) 0.622 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.923 0.011 0.000) 0.923 1.134 ( 2.680 0.722 0.000) 2.775 1.255 ( -5.027 -5.073 0.000) 7.142 1.537 ( -3.705 -0.108 0.000) 3.707 1.568 ( -2.536 -3.386 0.000) 4.231 1.628 ( -1.181 -1.493 0.000) 1.904 1.842 ( -4.834 -0.947 0.000) 4.926 1.845 ( -4.789 0.185 0.000) 4.793 2.024 ( 1.834 0.330 0.000) 1.864 2.056 ( 1.004 2.130 0.000) 2.354 2.188 ( -3.924 2.691 0.000) 4.758 2.236 ( -1.599 1.722 0.000) 2.350 2.584 ( 2.380 0.055 0.000) 2.381 2.774 ( -11.021 0.764 0.000) 11.047 2.801 ( -3.105 0.606 0.000) 3.163 3.056 ( -9.597 -0.234 0.000) 9.600 3.127 ( 0.592 1.271 0.000) 1.402 3.181 ( 1.723 -0.070 0.000) 1.724 3.833 ( 3.236 -0.040 0.000) 3.236 4.116 ( 6.267 0.515 0.000) 6.288 4.201 ( -0.553 -0.068 0.000) 0.558 4.228 ( -4.298 -0.189 0.000) 4.303 4.361 ( -1.279 -0.568 0.000) 1.400 4.467 ( -0.256 -0.018 0.000) 0.257 4.578 ( -7.832 -0.056 0.000) 7.832 4.702 ( -3.222 -0.112 0.000) 3.224 4.750 ( -2.063 -0.350 0.000) 2.093 4.866 ( 0.349 0.099 0.000) 0.363 4.967 ( 1.829 0.035 0.000) 1.829 5.157 ( 6.833 -0.906 0.000) 6.892 5.291 ( -5.918 -0.306 0.000) 5.926 5.409 ( 0.388 0.022 0.000) 0.389 5.766 ( 1.205 -0.718 0.000) 1.402 5.829 ( 9.620 -0.436 0.000) 9.630 6.665 ( 2.092 0.531 0.000) 2.158 6.869 ( -0.741 -0.756 0.000) 1.058 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -0.918 -0.194 0.000) 0.938 1.132 ( -10.785 -5.208 0.000) 11.977 1.150 ( -0.867 0.476 0.000) 0.989 1.417 ( -9.393 0.197 0.000) 9.395 1.567 ( -0.709 -6.635 0.000) 6.673 1.634 ( 0.220 -2.716 0.000) 2.725 1.734 ( -6.770 -1.030 0.000) 6.848 1.776 ( -1.801 0.363 0.000) 1.837 2.007 ( -4.304 6.033 0.000) 7.410 2.054 ( 1.140 0.245 0.000) 1.166 2.091 ( -4.760 1.895 0.000) 5.123 2.203 ( -1.665 -0.048 0.000) 1.666 2.516 ( -14.622 3.619 0.000) 15.063 2.627 ( 2.008 -0.026 0.000) 2.009 2.723 ( -4.794 1.073 0.000) 4.913 2.827 ( -14.344 -0.387 0.000) 14.349 3.077 ( -5.644 0.384 0.000) 5.657 3.207 ( 0.954 0.839 0.000) 1.270 3.901 ( 3.453 0.098 0.000) 3.455 4.172 ( -2.018 -0.039 0.000) 2.018 4.195 ( 0.074 -0.014 0.000) 0.075 4.250 ( 6.351 0.960 0.000) 6.423 4.343 ( 0.505 -0.349 0.000) 0.614 4.423 ( -4.231 -0.196 0.000) 4.236 4.457 ( -4.740 -0.093 0.000) 4.741 4.660 ( -1.534 -0.331 0.000) 1.570 4.722 ( -0.734 -0.469 0.000) 0.871 4.876 ( 0.875 0.099 0.000) 0.881 4.974 ( -0.867 0.053 0.000) 0.868 5.194 ( -4.753 -0.385 0.000) 4.769 5.285 ( 5.311 -3.061 0.000) 6.130 5.419 ( 0.730 -0.038 0.000) 0.731 5.776 ( -0.192 -2.810 0.000) 2.817 6.037 ( 11.793 0.800 0.000) 11.820 6.708 ( 2.899 1.017 0.000) 3.072 6.859 ( -0.820 -1.387 0.000) 1.611 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -13.059 -1.552 0.000) 13.151 0.967 ( -5.017 1.834 0.000) 5.341 1.110 ( -2.554 -2.185 0.000) 3.361 1.209 ( -11.413 -0.737 0.000) 11.437 1.553 ( -5.608 -2.986 0.000) 6.353 1.613 ( -4.916 -6.254 0.000) 7.955 1.657 ( -2.083 -2.794 0.000) 3.485 1.768 ( 0.947 1.358 0.000) 1.655 1.823 ( -11.961 7.318 0.000) 14.022 2.011 ( -2.783 -0.095 0.000) 2.785 2.040 ( -3.681 -0.354 0.000) 3.698 2.164 ( -2.667 -1.205 0.000) 2.927 2.256 ( -8.635 5.274 0.000) 10.118 2.564 ( -12.416 -0.293 0.000) 12.419 2.614 ( -6.139 1.387 0.000) 6.294 2.658 ( 1.245 -0.251 0.000) 1.269 2.916 ( -11.159 -0.144 0.000) 11.160 3.212 ( 0.524 1.405 0.000) 1.499 3.930 ( -0.696 0.297 0.000) 0.757 4.122 ( -4.611 0.203 0.000) 4.616 4.223 ( 3.258 0.122 0.000) 3.261 4.227 ( -5.307 1.287 0.000) 5.461 4.337 ( -3.847 -0.356 0.000) 3.864 4.404 ( -0.744 -0.186 0.000) 0.767 4.466 ( 7.949 0.477 0.000) 7.964 4.635 ( -1.876 -1.208 0.000) 2.231 4.739 ( 2.507 -0.211 0.000) 2.516 4.898 ( 1.493 0.067 0.000) 1.494 4.948 ( -1.340 0.299 0.000) 1.373 5.109 ( -4.551 -0.714 0.000) 4.607 5.374 ( 0.757 -7.986 0.000) 8.022 5.438 ( 1.267 -0.147 0.000) 1.276 5.794 ( 0.687 -2.963 0.000) 3.041 6.256 ( 12.163 1.722 0.000) 12.285 6.758 ( 2.716 1.155 0.000) 2.951 6.855 ( -0.243 -1.590 0.000) 1.608 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -11.979 4.426 0.000) 12.771 0.751 ( -15.263 3.446 0.000) 15.647 1.040 ( -7.333 -1.486 0.000) 7.482 1.121 ( 1.503 -4.735 0.000) 4.968 1.332 ( -20.780 6.257 0.000) 21.702 1.477 ( -6.760 -1.212 0.000) 6.868 1.599 ( -5.489 0.536 0.000) 5.515 1.663 ( -2.613 -3.330 0.000) 4.233 1.779 ( 0.249 2.090 0.000) 2.105 1.891 ( -11.363 -0.942 0.000) 11.402 1.982 ( -1.641 -4.076 0.000) 4.394 2.133 ( -0.842 -0.716 0.000) 1.106 2.174 ( 1.317 2.241 0.000) 2.600 2.417 ( -3.337 0.004 0.000) 3.337 2.486 ( -6.575 1.576 0.000) 6.762 2.678 ( 0.750 -0.499 0.000) 0.901 2.684 ( -12.965 -0.451 0.000) 12.972 3.230 ( 2.437 1.537 0.000) 2.882 3.883 ( -3.528 0.324 0.000) 3.542 3.979 ( -9.638 0.164 0.000) 9.639 4.090 ( -7.976 1.396 0.000) 8.097 4.298 ( 3.818 0.194 0.000) 3.823 4.309 ( 0.468 -0.102 0.000) 0.479 4.396 ( -1.588 -1.475 0.000) 2.167 4.557 ( 0.947 -1.106 0.000) 1.456 4.606 ( -1.125 -1.119 0.000) 1.587 4.803 ( 3.340 0.543 0.000) 3.383 4.928 ( 1.676 0.077 0.000) 1.678 4.932 ( -0.420 0.190 0.000) 0.461 5.042 ( -2.831 -1.421 0.000) 3.167 5.374 ( -7.077 -15.514 0.000) 17.053 5.467 ( 1.560 -0.238 0.000) 1.578 5.833 ( 2.282 -1.190 0.000) 2.574 6.471 ( 11.975 3.100 0.000) 12.370 6.790 ( 0.960 -0.291 0.000) 1.003 6.871 ( 1.379 -0.119 0.000) 1.384 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -17.194 3.862 0.000) 17.622 0.447 ( -7.353 12.241 0.000) 14.279 0.854 ( -22.458 13.938 0.000) 26.431 0.934 ( -4.434 -0.983 0.000) 4.542 1.204 ( 4.333 -5.954 0.000) 7.363 1.392 ( -3.148 0.348 0.000) 3.167 1.502 ( -3.464 2.372 0.000) 4.198 1.624 ( -3.629 -4.193 0.000) 5.545 1.629 ( -12.185 -1.168 0.000) 12.241 1.809 ( 0.577 2.778 0.000) 2.837 2.008 ( 1.841 -7.132 0.000) 7.365 2.147 ( 1.826 -0.539 0.000) 1.904 2.252 ( 8.343 1.995 0.000) 8.578 2.367 ( -4.637 1.948 0.000) 5.029 2.396 ( 0.052 -0.033 0.000) 0.062 2.467 ( -9.725 -0.511 0.000) 9.738 2.692 ( 0.411 -0.633 0.000) 0.755 3.284 ( 3.585 1.234 0.000) 3.792 3.807 ( -7.439 0.125 0.000) 7.440 3.818 ( -2.800 0.199 0.000) 2.807 3.942 ( -6.548 0.280 0.000) 6.554 4.297 ( -15.384 -10.187 0.000) 18.451 4.317 ( 0.605 0.049 0.000) 0.607 4.363 ( 2.477 0.274 0.000) 2.492 4.563 ( 0.412 -1.216 0.000) 1.284 4.588 ( -1.642 -0.153 0.000) 1.649 4.817 ( -5.151 -2.779 0.000) 5.853 4.886 ( -7.925 -5.105 0.000) 9.426 4.955 ( 1.113 0.114 0.000) 1.119 4.990 ( -3.014 -0.748 0.000) 3.106 5.289 ( -7.009 -12.770 0.000) 14.567 5.494 ( 1.109 -0.265 0.000) 1.140 5.880 ( 2.117 0.218 0.000) 2.128 6.671 ( 11.129 3.931 0.000) 11.803 6.803 ( 0.088 -1.785 0.000) 1.788 6.896 ( 1.374 1.442 0.000) 1.992 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.159 ( 0.000 7.480 0.000) 7.480 0.321 ( 0.000 15.827 0.000) 15.827 0.476 ( 0.000 23.610 0.000) 23.610 0.894 ( -0.000 -0.540 0.000) 0.540 1.306 ( -0.000 -7.220 0.000) 7.220 1.356 ( 0.000 0.992 0.000) 0.992 1.461 ( 0.000 2.053 0.000) 2.053 1.483 ( -0.000 -0.055 0.000) 0.055 1.596 ( -0.000 -3.263 0.000) 3.263 1.801 ( 0.000 3.092 0.000) 3.092 2.087 ( -0.000 -8.119 0.000) 8.119 2.178 ( -0.000 -1.197 0.000) 1.197 2.308 ( 0.000 2.872 0.000) 2.872 2.350 ( 0.000 0.264 0.000) 0.264 2.399 ( -0.000 -0.073 0.000) 0.073 2.534 ( -0.000 -5.712 0.000) 5.712 2.699 ( -0.000 -0.603 0.000) 0.603 3.324 ( 0.000 0.724 0.000) 0.724 3.732 ( 0.000 0.123 0.000) 0.123 3.748 ( 0.000 0.177 0.000) 0.177 3.790 ( 0.000 0.108 0.000) 0.108 3.880 ( 0.000 0.159 0.000) 0.159 4.323 ( 0.000 0.091 0.000) 0.091 4.385 ( 0.000 0.254 0.000) 0.254 4.563 ( 0.000 0.085 0.000) 0.085 4.595 ( 0.000 0.580 0.000) 0.580 4.608 ( 0.000 0.075 0.000) 0.075 4.850 ( 0.000 0.176 0.000) 0.176 4.965 ( 0.000 0.121 0.000) 0.121 4.972 ( 0.000 1.188 0.000) 1.188 5.269 ( -0.000 -3.747 0.000) 3.747 5.506 ( -0.000 -0.236 0.000) 0.236 5.899 ( 0.000 0.444 0.000) 0.444 6.804 ( 0.000 0.025 0.000) 0.025 6.814 ( -0.000 -2.257 0.000) 2.257 6.901 ( 0.000 1.965 0.000) 1.965 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 1.068 -0.000 0.000) 1.068 1.080 ( -1.497 0.000 0.000) 1.497 1.408 ( -6.398 0.000 0.000) 6.398 1.583 ( 0.699 -0.000 0.000) 0.699 1.647 ( -2.922 0.000 0.000) 2.922 1.723 ( -0.445 0.000 0.000) 0.445 1.913 ( 2.635 -0.000 0.000) 2.635 1.929 ( -0.759 0.000 0.000) 0.759 1.968 ( 2.019 -0.000 0.000) 2.019 1.990 ( -0.376 0.000 0.000) 0.376 2.189 ( 5.251 -0.000 0.000) 5.251 2.204 ( 5.067 -0.000 0.000) 5.067 2.547 ( -1.098 0.000 0.000) 1.098 2.830 ( 1.695 -0.000 0.000) 1.695 2.984 ( 9.515 -0.000 0.000) 9.515 3.031 ( -4.436 0.000 0.000) 4.436 3.140 ( -1.575 0.000 0.000) 1.575 3.178 ( 2.849 -0.000 0.000) 2.849 3.793 ( -1.191 0.000 0.000) 1.191 4.027 ( -1.457 0.000 0.000) 1.457 4.211 ( 0.084 -0.000 0.000) 0.084 4.334 ( 5.480 -0.000 0.000) 5.480 4.392 ( -0.280 0.000 0.000) 0.280 4.429 ( -3.806 0.000 0.000) 3.806 4.720 ( 4.953 -0.000 0.000) 4.953 4.781 ( 5.346 -0.000 0.000) 5.346 4.784 ( 0.569 -0.000 0.000) 0.569 4.860 ( 0.047 -0.000 0.000) 0.047 4.904 ( -4.762 0.000 0.000) 4.762 5.047 ( -5.270 0.000 0.000) 5.270 5.403 ( -0.104 0.000 0.000) 0.104 5.437 ( 8.312 -0.000 0.000) 8.312 5.594 ( -9.680 0.000 0.000) 9.680 5.815 ( -2.063 0.000 0.000) 2.063 6.631 ( -0.230 0.000 0.000) 0.230 6.889 ( -0.500 0.000 0.000) 0.500 ======================= Grid point 43 (31/147) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -1.186 0.588 0.000) 1.323 1.073 ( 3.330 -0.487 0.000) 3.365 1.301 ( -4.741 -0.219 0.000) 4.746 1.577 ( -1.198 -0.026 0.000) 1.198 1.592 ( -3.047 -0.911 0.000) 3.180 1.675 ( -3.817 0.119 0.000) 3.819 1.899 ( -2.442 -0.215 0.000) 2.451 1.919 ( -2.138 0.035 0.000) 2.138 1.998 ( 1.116 0.043 0.000) 1.116 2.017 ( 3.201 -0.023 0.000) 3.201 2.252 ( 0.720 0.676 0.000) 0.988 2.263 ( 1.102 0.197 0.000) 1.119 2.548 ( 1.229 0.008 0.000) 1.229 2.840 ( -0.657 0.097 0.000) 0.664 2.932 ( -6.373 -0.232 0.000) 6.378 3.106 ( 3.954 1.196 0.000) 4.131 3.137 ( 1.405 -0.878 0.000) 1.657 3.174 ( -3.257 -0.023 0.000) 3.257 3.791 ( 1.048 -0.012 0.000) 1.048 4.038 ( 2.504 0.057 0.000) 2.505 4.209 ( -0.283 -0.011 0.000) 0.283 4.325 ( -5.674 -0.055 0.000) 5.674 4.378 ( -1.066 -0.065 0.000) 1.068 4.434 ( 3.589 0.031 0.000) 3.589 4.714 ( -5.088 -0.038 0.000) 5.088 4.779 ( -1.386 0.096 0.000) 1.389 4.785 ( -5.581 -0.116 0.000) 5.582 4.862 ( 0.171 0.012 0.000) 0.171 4.902 ( 5.136 -0.011 0.000) 5.136 5.040 ( 4.167 -0.044 0.000) 4.167 5.404 ( 0.178 0.005 0.000) 0.178 5.418 ( -8.039 -0.113 0.000) 8.040 5.620 ( 10.264 0.184 0.000) 10.265 5.782 ( -1.412 -0.214 0.000) 1.429 6.638 ( 1.059 0.049 0.000) 1.060 6.878 ( -0.737 -0.073 0.000) 0.741 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -1.148 0.009 0.000) 1.148 1.139 ( 2.889 0.406 0.000) 2.917 1.217 ( -5.884 -2.763 0.000) 6.500 1.536 ( -3.586 -0.067 0.000) 3.587 1.542 ( -2.883 -1.857 0.000) 3.430 1.617 ( -1.851 -0.785 0.000) 2.010 1.835 ( -4.809 -0.514 0.000) 4.836 1.846 ( -4.812 0.109 0.000) 4.813 2.026 ( 1.854 0.184 0.000) 1.863 2.071 ( 2.228 1.063 0.000) 2.469 2.210 ( -3.999 1.802 0.000) 4.386 2.247 ( -2.175 0.545 0.000) 2.242 2.585 ( 2.374 0.032 0.000) 2.375 2.780 ( -10.130 0.453 0.000) 10.140 2.806 ( -2.886 0.342 0.000) 2.906 3.054 ( -9.658 -0.133 0.000) 9.659 3.138 ( -0.097 0.876 0.000) 0.882 3.179 ( 2.345 -0.193 0.000) 2.353 3.832 ( 3.261 -0.024 0.000) 3.261 4.120 ( 6.376 0.285 0.000) 6.383 4.201 ( -0.535 -0.035 0.000) 0.536 4.227 ( -4.278 -0.109 0.000) 4.279 4.357 ( -1.298 -0.310 0.000) 1.334 4.467 ( -0.315 -0.010 0.000) 0.315 4.578 ( -7.838 -0.030 0.000) 7.838 4.701 ( -3.266 -0.052 0.000) 3.266 4.747 ( -2.110 -0.215 0.000) 2.121 4.866 ( 0.358 0.056 0.000) 0.363 4.968 ( 1.824 0.014 0.000) 1.824 5.150 ( 6.351 -0.526 0.000) 6.372 5.288 ( -5.916 -0.178 0.000) 5.919 5.409 ( 0.377 0.012 0.000) 0.378 5.760 ( -0.537 -0.437 0.000) 0.692 5.826 ( 10.996 -0.198 0.000) 10.998 6.669 ( 2.269 0.319 0.000) 2.291 6.863 ( -0.970 -0.446 0.000) 1.068 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.727 -0.081 0.000) 0.732 1.089 ( -9.245 -3.389 0.000) 9.847 1.154 ( -1.466 0.266 0.000) 1.490 1.419 ( -9.415 0.156 0.000) 9.416 1.512 ( -2.096 -4.603 0.000) 5.058 1.612 ( 0.112 -1.806 0.000) 1.809 1.725 ( -6.916 -0.690 0.000) 6.950 1.779 ( -1.531 0.262 0.000) 1.554 2.056 ( 0.988 0.171 0.000) 1.003 2.061 ( -2.664 5.004 0.000) 5.669 2.107 ( -5.545 1.368 0.000) 5.712 2.196 ( -3.090 -1.320 0.000) 3.360 2.546 ( -13.539 2.525 0.000) 13.773 2.627 ( 1.936 -0.018 0.000) 1.936 2.732 ( -4.681 0.719 0.000) 4.736 2.824 ( -14.367 -0.276 0.000) 14.369 3.080 ( -5.949 0.272 0.000) 5.956 3.214 ( 1.229 0.599 0.000) 1.367 3.902 ( 3.543 0.067 0.000) 3.544 4.172 ( -1.920 -0.025 0.000) 1.920 4.194 ( 0.135 -0.013 0.000) 0.135 4.259 ( 6.509 0.723 0.000) 6.549 4.340 ( 0.929 -0.214 0.000) 0.953 4.422 ( -4.317 -0.138 0.000) 4.320 4.456 ( -4.759 -0.072 0.000) 4.760 4.657 ( -1.737 -0.226 0.000) 1.751 4.718 ( -0.726 -0.332 0.000) 0.798 4.877 ( 0.857 0.070 0.000) 0.860 4.975 ( -0.839 0.011 0.000) 0.839 5.191 ( -4.840 -0.255 0.000) 4.847 5.258 ( 3.812 -2.393 0.000) 4.501 5.419 ( 0.689 -0.027 0.000) 0.690 5.754 ( -0.399 -1.729 0.000) 1.775 6.043 ( 12.041 0.449 0.000) 12.049 6.718 ( 3.161 0.862 0.000) 3.277 6.847 ( -1.118 -1.124 0.000) 1.586 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -9.594 0.587 0.000) 9.612 0.984 ( -2.901 1.687 0.000) 3.356 1.090 ( -4.596 -1.814 0.000) 4.941 1.202 ( -12.364 -0.724 0.000) 12.386 1.494 ( -3.954 -7.834 0.000) 8.775 1.580 ( -6.353 -0.936 0.000) 6.422 1.633 ( -1.856 -2.437 0.000) 3.063 1.780 ( 1.435 1.081 0.000) 1.797 1.895 ( -11.408 7.035 0.000) 13.403 2.015 ( -4.091 0.796 0.000) 4.168 2.037 ( -4.113 -0.302 0.000) 4.124 2.146 ( -3.065 -2.441 0.000) 3.919 2.300 ( -9.299 3.778 0.000) 10.037 2.561 ( -12.257 -0.239 0.000) 12.259 2.626 ( -6.099 1.050 0.000) 6.189 2.656 ( 1.120 -0.209 0.000) 1.139 2.915 ( -11.349 -0.099 0.000) 11.349 3.224 ( 0.666 1.119 0.000) 1.302 3.933 ( -0.634 0.244 0.000) 0.679 4.124 ( -4.551 0.166 0.000) 4.554 4.225 ( 3.326 0.103 0.000) 3.328 4.239 ( -4.833 1.201 0.000) 4.980 4.334 ( -3.839 -0.296 0.000) 3.851 4.403 ( -0.975 -0.028 0.000) 0.975 4.471 ( 8.151 0.696 0.000) 8.180 4.622 ( -2.682 -1.314 0.000) 2.987 4.737 ( 2.864 -0.173 0.000) 2.869 4.899 ( 1.482 0.054 0.000) 1.483 4.951 ( -1.122 0.277 0.000) 1.156 5.102 ( -4.776 -0.605 0.000) 4.814 5.298 ( -2.520 -7.169 0.000) 7.599 5.437 ( 1.214 -0.124 0.000) 1.220 5.771 ( 1.557 -1.672 0.000) 2.285 6.270 ( 12.502 1.098 0.000) 12.550 6.770 ( 2.563 1.399 0.000) 2.920 6.839 ( -0.089 -1.757 0.000) 1.760 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -6.938 8.172 0.000) 10.720 0.786 ( -15.312 3.570 0.000) 15.722 1.023 ( -7.297 -2.023 0.000) 7.572 1.077 ( 0.861 -4.066 0.000) 4.156 1.356 ( -16.475 -2.211 0.000) 16.622 1.467 ( -5.116 -0.307 0.000) 5.125 1.595 ( -3.236 -0.746 0.000) 3.321 1.664 ( -6.827 3.303 0.000) 7.584 1.799 ( -0.017 1.963 0.000) 1.963 1.881 ( -11.057 -1.087 0.000) 11.110 1.943 ( -3.966 -3.905 0.000) 5.566 2.122 ( -0.315 -1.320 0.000) 1.357 2.194 ( -0.585 1.842 0.000) 1.932 2.418 ( -3.284 0.008 0.000) 3.284 2.500 ( -6.555 1.258 0.000) 6.675 2.673 ( 0.633 -0.474 0.000) 0.791 2.680 ( -13.068 -0.395 0.000) 13.074 3.244 ( 2.387 1.387 0.000) 2.761 3.886 ( -3.561 0.306 0.000) 3.574 3.980 ( -9.682 0.145 0.000) 9.683 4.106 ( -8.140 1.829 0.000) 8.343 4.300 ( 3.556 0.205 0.000) 3.562 4.308 ( 0.911 -0.114 0.000) 0.918 4.379 ( -3.877 -1.962 0.000) 4.345 4.544 ( -0.789 -1.453 0.000) 1.654 4.597 ( 0.337 -0.786 0.000) 0.855 4.810 ( 3.611 0.839 0.000) 3.708 4.929 ( 1.693 0.068 0.000) 1.695 4.935 ( -1.189 0.278 0.000) 1.221 5.029 ( -3.193 -1.174 0.000) 3.402 5.234 ( -8.603 -12.945 0.000) 15.543 5.464 ( 1.519 -0.234 0.000) 1.537 5.825 ( 3.272 -0.473 0.000) 3.306 6.495 ( 12.246 1.948 0.000) 12.400 6.787 ( -0.075 -0.356 0.000) 0.363 6.870 ( 2.442 -0.020 0.000) 2.442 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -16.489 3.824 0.000) 16.926 0.581 ( -3.824 14.700 0.000) 15.190 0.921 ( -4.345 -1.736 0.000) 4.679 0.980 ( -17.667 11.318 0.000) 20.982 1.146 ( 3.680 -5.502 0.000) 6.619 1.397 ( -2.436 0.790 0.000) 2.561 1.526 ( -3.026 2.472 0.000) 3.908 1.581 ( -3.926 -4.228 0.000) 5.770 1.619 ( -12.082 -0.778 0.000) 12.107 1.833 ( 0.858 2.121 0.000) 2.288 1.937 ( 0.799 -7.357 0.000) 7.400 2.140 ( 1.421 -0.873 0.000) 1.667 2.259 ( 8.007 -0.578 0.000) 8.028 2.383 ( -4.650 1.434 0.000) 4.866 2.396 ( 0.016 -0.019 0.000) 0.024 2.462 ( -9.662 -0.487 0.000) 9.674 2.685 ( 0.351 -0.677 0.000) 0.762 3.296 ( 3.402 1.255 0.000) 3.626 3.808 ( -7.430 0.133 0.000) 7.431 3.820 ( -2.870 0.207 0.000) 2.878 3.946 ( -7.286 0.590 0.000) 7.309 4.194 ( -21.852 -10.242 0.000) 24.133 4.318 ( 0.675 0.077 0.000) 0.679 4.366 ( 2.484 0.265 0.000) 2.498 4.553 ( 1.496 -0.796 0.000) 1.694 4.587 ( -1.634 -0.017 0.000) 1.635 4.785 ( -11.176 -2.659 0.000) 11.488 4.862 ( -2.454 -0.810 0.000) 2.584 4.956 ( 1.134 0.116 0.000) 1.140 4.992 ( -0.625 0.610 0.000) 0.873 5.192 ( -0.515 -7.924 0.000) 7.941 5.491 ( 1.092 -0.301 0.000) 1.133 5.882 ( 2.441 0.334 0.000) 2.464 6.698 ( 9.923 1.913 0.000) 10.106 6.787 ( -0.296 -1.577 0.000) 1.605 6.909 ( 1.782 1.230 0.000) 2.165 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.226 ( 0.000 6.258 0.000) 6.258 0.469 ( 0.000 14.437 0.000) 14.437 0.698 ( 0.000 21.858 0.000) 21.858 0.886 ( -0.000 -1.231 0.000) 1.231 1.233 ( -0.000 -7.303 0.000) 7.303 1.367 ( 0.000 1.251 0.000) 1.251 1.483 ( -0.000 -0.066 0.000) 0.066 1.485 ( 0.000 2.747 0.000) 2.747 1.558 ( -0.000 -4.464 0.000) 4.464 1.830 ( 0.000 2.667 0.000) 2.667 2.005 ( -0.000 -8.656 0.000) 8.656 2.165 ( -0.000 -1.438 0.000) 1.438 2.330 ( 0.000 1.766 0.000) 1.766 2.353 ( 0.000 0.282 0.000) 0.282 2.399 ( -0.000 -0.065 0.000) 0.065 2.468 ( -0.000 -7.591 0.000) 7.591 2.692 ( -0.000 -0.732 0.000) 0.732 3.332 ( 0.000 0.893 0.000) 0.893 3.733 ( 0.000 0.149 0.000) 0.149 3.750 ( 0.000 0.214 0.000) 0.214 3.791 ( 0.000 0.129 0.000) 0.129 3.882 ( 0.000 0.190 0.000) 0.190 4.324 ( 0.000 0.132 0.000) 0.132 4.388 ( 0.000 0.281 0.000) 0.281 4.564 ( 0.000 0.103 0.000) 0.103 4.603 ( 0.000 1.005 0.000) 1.005 4.609 ( 0.000 0.090 0.000) 0.090 4.852 ( 0.000 0.200 0.000) 0.200 4.967 ( 0.000 0.141 0.000) 0.141 4.985 ( 0.000 1.376 0.000) 1.376 5.227 ( -0.000 -4.779 0.000) 4.779 5.504 ( -0.000 -0.307 0.000) 0.307 5.904 ( 0.000 0.528 0.000) 0.528 6.793 ( -0.000 -2.039 0.000) 2.039 6.805 ( 0.000 0.031 0.000) 0.031 6.919 ( 0.000 1.707 0.000) 1.707 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -1.226 0.000 0.000) 1.226 1.141 ( 2.961 -0.000 0.000) 2.961 1.203 ( -6.212 0.000 0.000) 6.212 1.533 ( -2.975 0.000 0.000) 2.975 1.536 ( -3.544 0.000 0.000) 3.544 1.613 ( -2.098 0.000 0.000) 2.098 1.832 ( -4.794 0.000 0.000) 4.794 1.847 ( -4.819 0.000 0.000) 4.819 2.027 ( 1.862 -0.000 0.000) 1.862 2.077 ( 2.666 -0.000 0.000) 2.666 2.220 ( -4.031 0.000 0.000) 4.031 2.249 ( -2.397 0.000 0.000) 2.397 2.585 ( 2.372 -0.000 0.000) 2.372 2.783 ( -9.816 0.000 0.000) 9.816 2.808 ( -2.803 0.000 0.000) 2.803 3.053 ( -9.680 0.000 0.000) 9.680 3.143 ( -0.533 0.000 0.000) 0.533 3.178 ( 2.761 -0.000 0.000) 2.761 3.832 ( 3.270 -0.000 0.000) 3.270 4.121 ( 6.418 -0.000 0.000) 6.418 4.201 ( -0.526 0.000 0.000) 0.526 4.226 ( -4.272 0.000 0.000) 4.272 4.355 ( -1.305 0.000 0.000) 1.305 4.467 ( -0.336 0.000 0.000) 0.336 4.578 ( -7.842 0.000 0.000) 7.842 4.701 ( -3.281 0.000 0.000) 3.281 4.746 ( -2.125 0.000 0.000) 2.125 4.867 ( 0.362 -0.000 0.000) 0.362 4.968 ( 1.820 -0.000 0.000) 1.820 5.148 ( 6.170 -0.000 0.000) 6.170 5.287 ( -5.917 0.000 0.000) 5.917 5.409 ( 0.374 -0.000 0.000) 0.374 5.758 ( -1.105 0.000 0.000) 1.105 5.825 ( 11.438 -0.000 0.000) 11.438 6.670 ( 2.339 -0.000 0.000) 2.339 6.861 ( -1.060 0.000 0.000) 1.060 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.619 -0.019 0.000) 0.620 1.067 ( -8.194 -1.168 0.000) 8.276 1.155 ( -1.808 0.082 0.000) 1.809 1.420 ( -9.420 0.060 0.000) 9.421 1.481 ( -3.075 -1.643 0.000) 3.486 1.600 ( 0.075 -0.639 0.000) 0.644 1.721 ( -6.991 -0.242 0.000) 6.995 1.780 ( -1.382 0.095 0.000) 1.385 2.057 ( 0.903 0.061 0.000) 0.905 2.099 ( -0.262 2.262 0.000) 2.277 2.118 ( -6.405 0.790 0.000) 6.453 2.181 ( -4.849 -1.318 0.000) 5.025 2.563 ( -12.994 0.906 0.000) 13.026 2.627 ( 1.894 -0.006 0.000) 1.894 2.737 ( -4.628 0.250 0.000) 4.635 2.822 ( -14.379 -0.100 0.000) 14.379 3.082 ( -6.118 0.098 0.000) 6.119 3.219 ( 1.372 0.217 0.000) 1.389 3.902 ( 3.594 0.024 0.000) 3.594 4.172 ( -1.868 -0.008 0.000) 1.868 4.194 ( 0.172 -0.005 0.000) 0.172 4.264 ( 6.588 0.269 0.000) 6.593 4.338 ( 1.227 -0.068 0.000) 1.229 4.421 ( -4.366 -0.050 0.000) 4.366 4.455 ( -4.767 -0.027 0.000) 4.767 4.656 ( -1.873 -0.081 0.000) 1.874 4.716 ( -0.714 -0.118 0.000) 0.724 4.877 ( 0.846 0.025 0.000) 0.847 4.975 ( -0.828 -0.004 0.000) 0.828 5.189 ( -4.919 -0.078 0.000) 4.919 5.241 ( 2.921 -0.918 0.000) 3.061 5.419 ( 0.666 -0.010 0.000) 0.666 5.743 ( -0.448 -0.578 0.000) 0.731 6.046 ( 12.166 0.144 0.000) 12.167 6.724 ( 3.391 0.354 0.000) 3.409 6.839 ( -1.368 -0.449 0.000) 1.439 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -6.253 1.327 0.000) 6.392 0.998 ( -0.755 1.073 0.000) 1.312 1.076 ( -6.440 -1.067 0.000) 6.528 1.196 ( -13.268 -0.469 0.000) 13.276 1.426 ( -5.164 -5.356 0.000) 7.440 1.579 ( -6.211 0.345 0.000) 6.220 1.610 ( -1.517 -2.013 0.000) 2.520 1.789 ( 1.758 0.596 0.000) 1.856 1.953 ( -10.414 4.563 0.000) 11.370 2.027 ( -6.018 1.676 0.000) 6.247 2.034 ( -4.428 -0.175 0.000) 4.431 2.118 ( -2.530 -3.146 0.000) 4.037 2.329 ( -9.817 1.972 0.000) 10.013 2.559 ( -12.143 -0.134 0.000) 12.144 2.634 ( -6.077 0.562 0.000) 6.103 2.654 ( 1.031 -0.119 0.000) 1.037 2.914 ( -11.480 -0.049 0.000) 11.480 3.233 ( 0.759 0.615 0.000) 0.976 3.935 ( -0.589 0.137 0.000) 0.604 4.125 ( -4.510 0.093 0.000) 4.511 4.225 ( 3.375 0.059 0.000) 3.375 4.249 ( -4.365 0.723 0.000) 4.424 4.332 ( -3.834 -0.167 0.000) 3.837 4.403 ( -1.156 0.043 0.000) 1.157 4.478 ( 8.580 0.654 0.000) 8.605 4.611 ( -3.648 -0.990 0.000) 3.780 4.736 ( 3.141 -0.096 0.000) 3.142 4.899 ( 1.473 0.030 0.000) 1.473 4.953 ( -0.904 0.164 0.000) 0.919 5.098 ( -4.908 -0.312 0.000) 4.918 5.241 ( -4.743 -4.255 0.000) 6.372 5.436 ( 1.174 -0.071 0.000) 1.176 5.760 ( 2.139 -0.738 0.000) 2.263 6.277 ( 12.689 0.528 0.000) 12.700 6.785 ( 2.649 1.521 0.000) 3.054 6.822 ( -0.173 -1.722 0.000) 1.731 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -15.801 2.844 0.000) 16.055 0.827 ( -2.018 9.438 0.000) 9.652 1.003 ( -7.293 -1.836 0.000) 7.521 1.043 ( 0.759 -2.768 0.000) 2.870 1.300 ( -12.698 -7.743 0.000) 14.872 1.470 ( -4.291 0.621 0.000) 4.336 1.589 ( -2.128 -0.676 0.000) 2.233 1.713 ( -10.271 5.931 0.000) 11.861 1.817 ( 0.125 1.619 0.000) 1.624 1.871 ( -11.206 -1.093 0.000) 11.259 1.907 ( -6.250 -3.646 0.000) 7.236 2.109 ( 0.315 -1.189 0.000) 1.230 2.208 ( -2.149 1.041 0.000) 2.388 2.418 ( -3.238 0.007 0.000) 3.238 2.510 ( -6.595 0.792 0.000) 6.643 2.669 ( 0.535 -0.338 0.000) 0.633 2.677 ( -13.149 -0.262 0.000) 13.152 3.256 ( 2.352 0.951 0.000) 2.537 3.889 ( -3.587 0.218 0.000) 3.594 3.981 ( -9.719 0.097 0.000) 9.719 4.124 ( -8.085 1.801 0.000) 8.284 4.302 ( 3.252 0.192 0.000) 3.258 4.307 ( 1.364 -0.125 0.000) 1.370 4.359 ( -6.842 -2.023 0.000) 7.135 4.531 ( -1.772 -1.184 0.000) 2.131 4.591 ( 1.592 -0.407 0.000) 1.643 4.819 ( 4.154 0.971 0.000) 4.266 4.930 ( 1.707 0.045 0.000) 1.707 4.938 ( -2.039 0.358 0.000) 2.071 5.021 ( -3.112 -0.476 0.000) 3.148 5.126 ( -8.378 -8.958 0.000) 12.266 5.462 ( 1.482 -0.171 0.000) 1.492 5.822 ( 3.791 -0.183 0.000) 3.795 6.510 ( 12.304 1.054 0.000) 12.349 6.784 ( -0.875 -0.294 0.000) 0.923 6.870 ( 3.269 0.033 0.000) 3.269 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -16.140 2.961 0.000) 16.410 0.726 ( -3.565 14.552 0.000) 14.983 0.901 ( -4.352 -2.238 0.000) 4.894 1.062 ( -10.780 5.097 0.000) 11.924 1.101 ( 3.226 -3.723 0.000) 4.926 1.408 ( -2.069 1.395 0.000) 2.495 1.540 ( -3.252 -0.944 0.000) 3.386 1.556 ( -4.725 0.683 0.000) 4.774 1.613 ( -11.986 -0.472 0.000) 11.995 1.850 ( 1.052 1.360 0.000) 1.719 1.868 ( -0.233 -6.632 0.000) 6.636 2.131 ( 1.198 -0.865 0.000) 1.478 2.244 ( 5.883 -2.121 0.000) 6.254 2.394 ( -4.769 0.903 0.000) 4.854 2.396 ( -0.013 -0.004 0.000) 0.013 2.457 ( -9.563 -0.354 0.000) 9.569 2.679 ( 0.293 -0.565 0.000) 0.637 3.308 ( 3.229 1.004 0.000) 3.381 3.810 ( -7.435 0.111 0.000) 7.436 3.822 ( -2.921 0.169 0.000) 2.926 3.954 ( -8.308 1.054 0.000) 8.374 4.106 ( -22.499 -7.620 0.000) 23.754 4.318 ( 0.738 0.081 0.000) 0.743 4.368 ( 2.491 0.202 0.000) 2.499 4.548 ( 2.379 -0.317 0.000) 2.400 4.587 ( -1.592 0.014 0.000) 1.592 4.770 ( -10.911 -0.609 0.000) 10.928 4.859 ( -0.826 -0.052 0.000) 0.828 4.957 ( 1.153 0.092 0.000) 1.157 4.998 ( 0.228 0.669 0.000) 0.707 5.126 ( 2.225 -5.737 0.000) 6.153 5.489 ( 1.072 -0.265 0.000) 1.104 5.886 ( 2.639 0.296 0.000) 2.655 6.711 ( 9.113 0.948 0.000) 9.162 6.773 ( -0.561 -1.176 0.000) 1.303 6.920 ( 2.072 0.902 0.000) 2.260 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.279 ( 0.000 4.629 0.000) 4.629 0.600 ( 0.000 12.161 0.000) 12.161 0.870 ( -0.000 -2.068 0.000) 2.068 0.898 ( 0.000 18.874 0.000) 18.874 1.169 ( -0.000 -5.573 0.000) 5.573 1.379 ( 0.000 1.299 0.000) 1.299 1.482 ( -0.000 -0.062 0.000) 0.062 1.511 ( -0.000 -5.019 0.000) 5.019 1.513 ( 0.000 3.019 0.000) 3.019 1.852 ( 0.000 1.862 0.000) 1.862 1.921 ( -0.000 -8.393 0.000) 8.393 2.151 ( -0.000 -1.357 0.000) 1.357 2.343 ( 0.000 0.851 0.000) 0.851 2.355 ( 0.000 0.237 0.000) 0.237 2.391 ( -0.000 -8.031 0.000) 8.031 2.398 ( -0.000 -0.040 0.000) 0.040 2.685 ( -0.000 -0.694 0.000) 0.694 3.340 ( 0.000 0.859 0.000) 0.859 3.734 ( 0.000 0.140 0.000) 0.140 3.752 ( 0.000 0.202 0.000) 0.202 3.793 ( 0.000 0.121 0.000) 0.121 3.884 ( 0.000 0.178 0.000) 0.178 4.325 ( 0.000 0.144 0.000) 0.144 4.391 ( 0.000 0.242 0.000) 0.242 4.565 ( 0.000 0.098 0.000) 0.098 4.610 ( 0.000 0.084 0.000) 0.084 4.614 ( 0.000 1.353 0.000) 1.353 4.853 ( 0.000 0.146 0.000) 0.146 4.968 ( 0.000 0.127 0.000) 0.127 4.998 ( 0.000 1.249 0.000) 1.249 5.179 ( -0.000 -4.840 0.000) 4.840 5.501 ( -0.000 -0.311 0.000) 0.311 5.909 ( 0.000 0.491 0.000) 0.491 6.775 ( -0.000 -1.632 0.000) 1.632 6.805 ( 0.000 0.030 0.000) 0.030 6.934 ( 0.000 1.339 0.000) 1.339 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -4.754 0.000 0.000) 4.754 1.003 ( 0.316 -0.000 0.000) 0.316 1.071 ( -7.333 0.000 0.000) 7.333 1.194 ( -13.660 0.000 0.000) 13.660 1.399 ( -5.910 0.000 0.000) 5.910 1.583 ( -7.148 0.000 0.000) 7.148 1.598 ( -0.408 0.000 0.000) 0.408 1.792 ( 1.871 -0.000 0.000) 1.871 1.976 ( -9.229 0.000 0.000) 9.229 2.034 ( -4.544 0.000 0.000) 4.544 2.041 ( -9.308 0.000 0.000) 9.308 2.097 ( -0.503 0.000 0.000) 0.503 2.338 ( -10.012 0.000 0.000) 10.012 2.558 ( -12.102 0.000 0.000) 12.102 2.637 ( -6.069 0.000 0.000) 6.069 2.653 ( 0.998 -0.000 0.000) 0.998 2.914 ( -11.527 0.000 0.000) 11.527 3.236 ( 0.790 -0.000 0.000) 0.790 3.936 ( -0.572 0.000 0.000) 0.572 4.125 ( -4.496 0.000 0.000) 4.496 4.226 ( 3.393 -0.000 0.000) 3.393 4.252 ( -4.163 0.000 0.000) 4.163 4.331 ( -3.832 0.000 0.000) 3.832 4.403 ( -1.215 0.000 0.000) 1.215 4.482 ( 8.873 -0.000 0.000) 8.873 4.605 ( -4.173 0.000 0.000) 4.173 4.735 ( 3.247 -0.000 0.000) 3.247 4.899 ( 1.470 -0.000 0.000) 1.470 4.954 ( -0.808 0.000 0.000) 0.808 5.096 ( -4.930 0.000 0.000) 4.930 5.219 ( -5.547 0.000 0.000) 5.547 5.436 ( 1.159 -0.000 0.000) 1.159 5.756 ( 2.334 -0.000 0.000) 2.334 6.280 ( 12.749 -0.000 0.000) 12.749 6.796 ( 4.046 -0.000 0.000) 4.046 6.809 ( -1.569 0.000 0.000) 1.569 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -16.470 1.120 0.000) 16.508 0.905 ( 2.398 5.264 0.000) 5.785 0.990 ( -7.670 -0.641 0.000) 7.696 1.024 ( 1.448 -1.112 0.000) 1.826 1.231 ( -13.148 -4.842 0.000) 14.011 1.475 ( -4.000 0.307 0.000) 4.012 1.583 ( -1.278 -0.406 0.000) 1.341 1.765 ( -11.663 3.783 0.000) 12.261 1.829 ( 1.489 0.820 0.000) 1.700 1.861 ( -12.587 -0.647 0.000) 12.604 1.874 ( -7.508 -2.540 0.000) 7.926 2.101 ( 0.781 -0.476 0.000) 0.915 2.215 ( -3.057 0.322 0.000) 3.074 2.418 ( -3.211 0.003 0.000) 3.211 2.515 ( -6.639 0.268 0.000) 6.644 2.667 ( 0.480 -0.123 0.000) 0.495 2.675 ( -13.191 -0.090 0.000) 13.191 3.262 ( 2.335 0.337 0.000) 2.359 3.890 ( -3.602 0.079 0.000) 3.602 3.982 ( -9.739 0.034 0.000) 9.740 4.138 ( -7.837 0.822 0.000) 7.880 4.304 ( 3.157 0.162 0.000) 3.162 4.305 ( 1.543 -0.137 0.000) 1.549 4.343 ( -9.147 -0.945 0.000) 9.196 4.523 ( -1.931 -0.435 0.000) 1.980 4.589 ( 2.204 -0.123 0.000) 2.207 4.827 ( 4.756 0.493 0.000) 4.781 4.930 ( 1.714 0.016 0.000) 1.714 4.941 ( -2.566 0.221 0.000) 2.575 5.022 ( -2.363 0.669 0.000) 2.456 5.061 ( -8.657 -4.111 0.000) 9.583 5.461 ( 1.459 -0.063 0.000) 1.461 5.821 ( 4.019 -0.048 0.000) 4.020 6.516 ( 12.304 0.333 0.000) 12.309 6.782 ( -1.295 -0.114 0.000) 1.300 6.870 ( 3.704 0.020 0.000) 3.704 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -16.055 1.573 0.000) 16.132 0.857 ( -7.025 11.983 0.000) 13.891 0.881 ( -4.439 -1.635 0.000) 4.731 1.074 ( -1.175 -2.417 0.000) 2.688 1.074 ( 3.020 -1.720 0.000) 3.475 1.422 ( -1.742 1.198 0.000) 2.114 1.534 ( -7.080 0.353 0.000) 7.089 1.570 ( -3.335 1.316 0.000) 3.585 1.610 ( -11.915 -0.224 0.000) 11.917 1.812 ( -0.947 -4.495 0.000) 4.594 1.859 ( 1.150 0.650 0.000) 1.321 2.124 ( 1.128 -0.537 0.000) 1.249 2.224 ( 3.635 -1.815 0.000) 4.063 2.396 ( -0.030 0.002 0.000) 0.030 2.401 ( -4.849 0.422 0.000) 4.868 2.455 ( -9.479 -0.177 0.000) 9.481 2.674 ( 0.253 -0.321 0.000) 0.408 3.315 ( 3.109 0.555 0.000) 3.159 3.810 ( -7.444 0.063 0.000) 7.444 3.824 ( -2.950 0.094 0.000) 2.951 3.967 ( -9.150 1.538 0.000) 9.279 4.046 ( -21.211 -4.711 0.000) 21.728 4.319 ( 0.782 0.052 0.000) 0.784 4.370 ( 2.496 0.108 0.000) 2.498 4.546 ( 2.902 -0.073 0.000) 2.903 4.587 ( -1.567 0.012 0.000) 1.567 4.769 ( -10.394 0.199 0.000) 10.396 4.859 ( -0.431 0.042 0.000) 0.433 4.958 ( 1.167 0.050 0.000) 1.168 5.004 ( 0.604 0.407 0.000) 0.729 5.082 ( 3.498 -3.294 0.000) 4.804 5.486 ( 1.056 -0.156 0.000) 1.067 5.888 ( 2.756 0.170 0.000) 2.761 6.718 ( 8.681 0.401 0.000) 8.691 6.764 ( -0.716 -0.628 0.000) 0.953 6.927 ( 2.247 0.478 0.000) 2.298 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 0.000 2.763 0.000) 2.763 0.702 ( 0.000 8.537 0.000) 8.537 0.848 ( -0.000 -2.189 0.000) 2.189 1.059 ( 0.000 13.786 0.000) 13.786 1.127 ( -0.000 -3.110 0.000) 3.110 1.392 ( 0.000 1.250 0.000) 1.250 1.463 ( -0.000 -4.530 0.000) 4.530 1.482 ( -0.000 -0.044 0.000) 0.044 1.541 ( 0.000 2.575 0.000) 2.575 1.845 ( -0.000 -6.810 0.000) 6.810 1.866 ( 0.000 1.052 0.000) 1.052 2.140 ( -0.000 -0.968 0.000) 0.968 2.315 ( -0.000 -6.473 0.000) 6.473 2.351 ( 0.000 0.279 0.000) 0.279 2.357 ( 0.000 0.153 0.000) 0.153 2.398 ( -0.000 -0.017 0.000) 0.017 2.679 ( -0.000 -0.495 0.000) 0.495 3.348 ( 0.000 0.620 0.000) 0.620 3.736 ( 0.000 0.100 0.000) 0.100 3.754 ( 0.000 0.144 0.000) 0.144 3.794 ( 0.000 0.086 0.000) 0.086 3.885 ( 0.000 0.125 0.000) 0.125 4.327 ( 0.000 0.113 0.000) 0.113 4.393 ( 0.000 0.160 0.000) 0.160 4.565 ( 0.000 0.070 0.000) 0.070 4.611 ( 0.000 0.059 0.000) 0.059 4.628 ( 0.000 1.293 0.000) 1.293 4.854 ( 0.000 0.047 0.000) 0.047 4.969 ( 0.000 0.087 0.000) 0.087 5.008 ( 0.000 0.861 0.000) 0.861 5.137 ( -0.000 -3.697 0.000) 3.697 5.498 ( -0.000 -0.235 0.000) 0.235 5.913 ( 0.000 0.346 0.000) 0.346 6.762 ( -0.000 -1.056 0.000) 1.056 6.805 ( 0.000 0.022 0.000) 0.022 6.945 ( 0.000 0.860 0.000) 0.860 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -16.055 0.000 0.000) 16.055 0.873 ( -4.496 0.000 0.000) 4.496 0.931 ( -14.886 0.000 0.000) 14.886 1.046 ( 9.062 -0.000 0.000) 9.062 1.066 ( 2.975 -0.000 0.000) 2.975 1.428 ( -1.478 0.000 0.000) 1.478 1.539 ( -8.117 0.000 0.000) 8.117 1.577 ( -3.621 0.000 0.000) 3.621 1.609 ( -11.889 0.000 0.000) 11.889 1.788 ( -1.104 0.000 0.000) 1.104 1.862 ( 1.178 -0.000 0.000) 1.178 2.121 ( 1.123 -0.000 0.000) 1.123 2.214 ( 2.683 -0.000 0.000) 2.683 2.396 ( -0.036 0.000 0.000) 0.036 2.403 ( -4.878 0.000 0.000) 4.878 2.454 ( -9.448 0.000 0.000) 9.448 2.673 ( 0.238 -0.000 0.000) 0.238 3.318 ( 3.068 -0.000 0.000) 3.068 3.811 ( -7.448 0.000 0.000) 7.448 3.824 ( -2.959 0.000 0.000) 2.959 3.978 ( -8.405 0.000 0.000) 8.405 4.019 ( -21.610 0.000 0.000) 21.610 4.319 ( 0.798 -0.000 0.000) 0.798 4.370 ( 2.497 -0.000 0.000) 2.497 4.546 ( 3.073 -0.000 0.000) 3.073 4.587 ( -1.559 0.000 0.000) 1.559 4.771 ( -10.269 0.000 0.000) 10.269 4.859 ( -0.354 0.000 0.000) 0.354 4.958 ( 1.172 -0.000 0.000) 1.172 5.006 ( 0.696 -0.000 0.000) 0.696 5.065 ( 3.942 -0.000 0.000) 3.942 5.486 ( 1.049 -0.000 0.000) 1.049 5.889 ( 2.796 -0.000 0.000) 2.796 6.720 ( 8.547 -0.000 0.000) 8.547 6.761 ( -0.768 0.000 0.000) 0.768 6.929 ( 2.306 -0.000 0.000) 2.306 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 0.000 0.899 0.000) 0.899 0.760 ( 0.000 3.167 0.000) 3.167 0.832 ( -0.000 -0.951 0.000) 0.951 1.108 ( -0.000 -0.945 0.000) 0.945 1.155 ( 0.000 5.347 0.000) 5.347 1.405 ( 0.000 1.580 0.000) 1.580 1.426 ( -0.000 -2.961 0.000) 2.961 1.481 ( -0.000 -0.016 0.000) 0.016 1.560 ( 0.000 1.075 0.000) 1.075 1.796 ( -0.000 -2.865 0.000) 2.865 1.873 ( 0.000 0.335 0.000) 0.335 2.133 ( -0.000 -0.351 0.000) 0.351 2.269 ( -0.000 -2.635 0.000) 2.635 2.353 ( 0.000 0.115 0.000) 0.115 2.358 ( 0.000 0.053 0.000) 0.053 2.398 ( -0.000 -0.004 0.000) 0.004 2.676 ( -0.000 -0.179 0.000) 0.179 3.352 ( 0.000 0.226 0.000) 0.226 3.736 ( 0.000 0.036 0.000) 0.036 3.755 ( 0.000 0.052 0.000) 0.052 3.794 ( 0.000 0.031 0.000) 0.031 3.886 ( 0.000 0.045 0.000) 0.045 4.327 ( 0.000 0.043 0.000) 0.043 4.394 ( 0.000 0.055 0.000) 0.055 4.566 ( 0.000 0.025 0.000) 0.025 4.611 ( 0.000 0.021 0.000) 0.021 4.637 ( 0.000 0.557 0.000) 0.557 4.854 ( -0.000 -0.004 0.000) 0.004 4.970 ( 0.000 0.031 0.000) 0.031 5.014 ( 0.000 0.306 0.000) 0.306 5.111 ( -0.000 -1.402 0.000) 1.402 5.496 ( -0.000 -0.087 0.000) 0.087 5.916 ( 0.000 0.124 0.000) 0.124 6.755 ( -0.000 -0.365 0.000) 0.365 6.805 ( 0.000 0.008 0.000) 0.008 6.951 ( 0.000 0.297 0.000) 0.297 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.185 ( 0.000 0.000 10.650) 10.650 0.371 ( 0.000 0.000 19.616) 19.616 0.601 ( 0.000 0.000 21.145) 21.145 0.918 ( 0.000 0.000 5.044) 5.044 1.235 ( 0.000 0.000 -9.841) 9.841 1.370 ( 0.000 0.000 -2.189) 2.189 1.459 ( 0.000 0.000 3.490) 3.490 1.533 ( 0.000 0.000 3.304) 3.304 1.624 ( 0.000 0.000 -0.475) 0.475 1.864 ( 0.000 0.000 5.127) 5.127 2.129 ( 0.000 0.000 -2.532) 2.532 2.204 ( 0.000 0.000 1.353) 1.353 2.217 ( 0.000 0.000 -3.917) 3.917 2.219 ( 0.000 0.000 0.446) 0.446 2.330 ( 0.000 0.000 -1.761) 1.761 2.363 ( 0.000 0.000 -4.224) 4.224 2.952 ( 0.000 0.000 0.512) 0.512 3.223 ( 0.000 0.000 -8.292) 8.292 3.732 ( 0.000 0.000 0.214) 0.214 3.745 ( 0.000 0.000 -0.142) 0.142 3.800 ( 0.000 0.000 1.073) 1.073 3.871 ( 0.000 0.000 -0.761) 0.761 4.332 ( 0.000 0.000 1.140) 1.140 4.515 ( 0.000 0.000 -5.124) 5.124 4.565 ( 0.000 0.000 0.355) 0.355 4.602 ( 0.000 0.000 -0.558) 0.558 4.754 ( 0.000 0.000 5.798) 5.798 4.855 ( 0.000 0.000 1.651) 1.651 4.955 ( 0.000 0.000 -0.416) 0.416 5.075 ( 0.000 0.000 -4.252) 4.252 5.562 ( 0.000 0.000 5.017) 5.017 5.849 ( 0.000 0.000 -3.308) 3.308 5.962 ( 0.000 0.000 5.078) 5.078 6.443 ( 0.000 0.000 -8.605) 8.605 6.924 ( 0.000 0.000 5.149) 5.149 7.131 ( 0.000 0.000 -1.506) 1.506 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 15.059 -1.628 5.886) 16.250 0.524 ( 12.486 -2.915 11.967) 17.538 0.798 ( 15.436 -2.135 6.131) 16.746 1.007 ( 11.396 -0.573 13.821) 17.922 1.218 ( -1.997 0.292 -6.958) 7.245 1.388 ( 3.572 0.912 -0.727) 3.757 1.474 ( 1.476 -0.808 2.238) 2.800 1.652 ( 10.602 0.539 -0.322) 10.621 1.670 ( 4.546 1.017 -0.615) 4.699 1.832 ( -1.523 -0.230 6.432) 6.614 2.102 ( -2.744 1.827 -1.207) 3.511 2.138 ( -1.930 1.221 -2.122) 3.117 2.165 ( -2.938 -1.837 -1.131) 3.645 2.328 ( 6.537 -0.430 -0.807) 6.600 2.364 ( 0.756 -0.183 -3.263) 3.354 2.454 ( 9.967 0.128 -1.913) 10.150 2.800 ( -5.961 0.036 6.830) 9.065 3.182 ( -3.723 -0.527 -8.280) 9.093 3.808 ( 7.360 -0.045 0.261) 7.365 3.822 ( 2.878 -0.060 0.594) 2.939 3.928 ( 5.506 0.014 -1.185) 5.632 4.076 ( 15.199 0.502 -14.935) 21.315 4.328 ( -0.438 -0.035 1.169) 1.249 4.460 ( -4.631 0.045 -1.611) 4.903 4.581 ( 1.139 0.143 0.381) 1.209 4.600 ( 0.715 0.055 0.489) 0.868 4.830 ( 3.618 2.399 -1.401) 4.561 4.854 ( 0.304 -1.731 0.479) 1.822 4.944 ( -1.033 0.170 -0.414) 1.125 5.049 ( -2.015 0.332 -3.681) 4.209 5.549 ( -1.008 0.971 5.025) 5.217 5.807 ( -2.143 8.353 0.218) 8.626 5.927 ( -2.082 -0.137 5.264) 5.662 6.413 ( -4.082 -2.652 -8.638) 9.915 6.917 ( -0.733 -0.009 4.303) 4.365 6.981 ( -8.476 1.174 6.832) 10.950 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 17.327 1.426 3.733) 17.782 0.779 ( 12.082 -2.210 5.324) 13.387 1.052 ( 11.742 -1.211 -0.477) 11.814 1.173 ( -1.751 1.251 -2.624) 3.393 1.354 ( 20.594 -3.362 15.443) 25.959 1.478 ( 5.560 1.757 -0.657) 5.868 1.534 ( 4.427 -2.969 -1.305) 5.488 1.764 ( 6.184 4.358 0.381) 7.575 1.823 ( 0.581 0.231 5.974) 6.006 1.856 ( 9.825 1.409 -4.089) 10.735 2.041 ( -2.347 -0.348 -0.216) 2.383 2.107 ( -1.324 -0.504 -0.713) 1.586 2.149 ( 1.062 -0.408 -1.045) 1.545 2.389 ( 4.032 0.117 -3.646) 5.437 2.475 ( 7.482 -0.647 1.980) 7.767 2.657 ( 9.273 0.246 -2.459) 9.596 2.745 ( 0.942 -0.037 4.490) 4.588 3.123 ( -2.315 -0.996 -8.094) 8.477 3.888 ( 3.731 -0.206 1.126) 3.903 3.973 ( 9.200 -0.231 -0.413) 9.212 4.052 ( 7.026 -0.236 -1.712) 7.236 4.237 ( 3.789 0.080 -6.845) 7.824 4.320 ( -0.132 0.088 0.842) 0.856 4.369 ( -4.453 0.115 -2.412) 5.066 4.576 ( -2.342 0.189 0.667) 2.443 4.623 ( 1.517 0.366 -0.348) 1.599 4.805 ( -3.079 0.127 0.831) 3.191 4.887 ( 0.619 -0.024 -2.544) 2.618 4.928 ( 0.036 0.081 0.006) 0.089 5.034 ( 1.332 0.341 -2.876) 3.188 5.521 ( -1.340 0.875 4.981) 5.232 5.703 ( -5.019 5.786 4.140) 8.707 5.896 ( -1.114 1.692 1.697) 2.643 6.314 ( -7.703 -2.392 -7.227) 10.830 6.860 ( -4.815 0.354 5.220) 7.110 6.901 ( -0.744 0.377 2.430) 2.569 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 6.462 -0.880 1.964) 6.811 1.004 ( 16.125 3.500 2.012) 16.622 1.141 ( 0.008 1.413 -0.528) 1.508 1.288 ( 12.117 -0.581 3.874) 12.734 1.571 ( 5.924 1.276 -0.120) 6.061 1.649 ( 6.541 -1.829 0.644) 6.823 1.683 ( 9.454 -4.237 3.151) 10.828 1.786 ( -0.715 4.339 1.620) 4.686 1.857 ( 1.700 5.422 2.987) 6.419 1.962 ( 3.150 1.194 -4.108) 5.312 2.059 ( 1.774 -2.888 0.982) 3.529 2.162 ( 9.991 -4.578 2.231) 11.214 2.184 ( 1.676 -0.110 1.183) 2.054 2.538 ( 10.639 -0.432 -2.292) 10.892 2.617 ( 8.075 -0.287 1.747) 8.267 2.673 ( -2.149 0.207 0.757) 2.288 2.911 ( 10.569 0.041 -0.608) 10.586 3.113 ( 0.447 -1.143 -7.243) 7.346 3.941 ( 1.075 -0.287 1.751) 2.074 4.119 ( 5.580 -0.367 -0.430) 5.609 4.163 ( 3.857 -0.456 -3.151) 5.001 4.230 ( -2.912 -0.073 0.980) 3.073 4.329 ( 0.823 0.311 -1.524) 1.759 4.343 ( 1.839 0.056 -6.029) 6.303 4.500 ( -4.067 -0.078 3.567) 5.410 4.644 ( 0.911 0.535 -0.993) 1.449 4.751 ( -2.070 0.181 0.973) 2.294 4.881 ( -0.686 0.143 -1.873) 1.999 4.951 ( 2.015 -0.046 0.994) 2.247 5.086 ( 3.694 0.335 -3.050) 4.802 5.493 ( -1.261 0.850 4.916) 5.146 5.569 ( -6.835 2.995 5.895) 9.509 5.863 ( -1.321 2.739 -0.620) 3.104 6.158 ( -9.816 -1.817 -5.459) 11.378 6.782 ( -3.545 -0.046 3.780) 5.183 6.888 ( -0.365 0.828 0.625) 1.100 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 1.245 0.328 1.217) 1.772 1.126 ( -0.229 -0.562 -1.256) 1.395 1.275 ( 12.842 5.524 2.901) 14.277 1.492 ( 9.045 1.007 3.909) 9.904 1.677 ( 3.538 1.465 1.813) 4.237 1.715 ( -1.994 6.343 -0.615) 6.677 1.735 ( 2.908 2.650 -0.090) 3.935 1.803 ( 4.384 -2.068 1.757) 5.155 1.902 ( 4.384 -4.432 1.678) 6.456 2.005 ( 1.637 -1.239 -2.156) 2.977 2.089 ( 1.061 -2.230 1.807) 3.060 2.192 ( -0.680 -1.020 1.420) 1.877 2.469 ( 15.349 -2.654 3.087) 15.879 2.631 ( -1.015 -0.080 0.300) 1.062 2.679 ( 4.518 -0.931 -1.996) 5.026 2.837 ( 13.618 0.302 -0.708) 13.640 3.065 ( 5.318 -0.388 -0.485) 5.354 3.133 ( 0.614 -0.759 -5.413) 5.501 3.917 ( -3.332 -0.138 1.988) 3.882 4.156 ( -4.307 -0.318 -4.247) 6.057 4.193 ( 2.197 -0.175 -0.309) 2.225 4.201 ( 0.052 -0.012 0.564) 0.566 4.338 ( 1.331 0.373 -1.159) 1.804 4.407 ( 4.966 0.013 -4.386) 6.626 4.490 ( 2.042 0.062 5.152) 5.543 4.659 ( 1.233 0.289 -0.876) 1.540 4.733 ( 0.322 0.404 0.428) 0.671 4.868 ( -0.617 0.246 -1.466) 1.610 4.987 ( 1.360 -0.071 1.641) 2.133 5.154 ( 3.709 0.329 -3.856) 5.361 5.413 ( -7.261 1.947 7.156) 10.379 5.479 ( -0.983 0.069 4.872) 4.970 5.821 ( -1.797 2.635 -2.162) 3.853 5.975 ( -10.260 -1.306 -3.977) 11.081 6.726 ( -2.595 -0.214 3.355) 4.247 6.879 ( -0.161 0.962 -0.691) 1.195 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.047 -0.052 0.956) 0.958 1.108 ( -1.825 -0.737 -0.928) 2.176 1.409 ( 3.229 6.218 3.186) 7.697 1.600 ( 3.133 1.538 3.029) 4.622 1.650 ( 0.493 3.996 -0.088) 4.027 1.663 ( -0.328 2.484 -0.352) 2.530 1.862 ( 7.163 -0.144 4.759) 8.601 1.891 ( 3.822 -0.124 1.927) 4.282 1.982 ( 1.184 -2.266 -0.551) 2.615 2.040 ( 1.330 -2.231 1.642) 3.073 2.143 ( 3.245 -2.305 1.181) 4.152 2.186 ( 0.133 -2.820 0.753) 2.921 2.531 ( -3.223 0.158 -4.211) 5.305 2.747 ( 2.562 -0.524 -4.523) 5.225 2.804 ( 12.579 -0.784 3.907) 13.195 3.054 ( 8.700 0.301 -1.698) 8.869 3.106 ( -0.972 -0.763 0.056) 1.237 3.140 ( 0.205 -0.651 -2.599) 2.687 3.849 ( -3.309 0.041 1.700) 3.720 4.054 ( -5.091 -0.351 -4.346) 6.703 4.210 ( 0.705 0.111 0.740) 1.028 4.253 ( 4.120 0.256 1.234) 4.308 4.367 ( 1.576 0.481 -0.235) 1.665 4.513 ( 0.593 0.069 3.397) 3.449 4.526 ( 6.410 0.010 -3.676) 7.389 4.695 ( 2.646 0.095 -0.973) 2.821 4.755 ( 1.823 0.338 -0.105) 1.857 4.851 ( -1.156 0.280 -1.784) 2.144 4.996 ( -0.449 -0.101 2.537) 2.578 5.222 ( 3.693 0.343 -5.518) 6.648 5.271 ( -6.782 0.737 9.255) 11.498 5.473 ( 0.410 0.014 4.357) 4.376 5.761 ( -5.375 0.775 -2.131) 5.834 5.806 ( -6.050 0.201 -3.473) 6.979 6.687 ( -1.586 -0.200 3.345) 3.707 6.872 ( -0.133 0.745 -1.484) 1.666 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.062 -0.388 0.583) 0.703 1.078 ( -1.206 -0.064 -0.707) 1.399 1.379 ( -1.440 2.540 3.754) 4.756 1.608 ( -0.334 0.608 -0.536) 0.877 1.670 ( 1.091 1.123 2.694) 3.116 1.682 ( 2.246 1.416 0.510) 2.703 1.922 ( 1.003 0.269 0.706) 1.256 1.970 ( 1.123 -0.673 2.469) 2.794 1.994 ( 1.430 -0.290 5.078) 5.283 2.050 ( -0.479 -0.467 4.056) 4.111 2.213 ( 2.484 -1.443 0.232) 2.882 2.227 ( 1.474 -1.495 -0.136) 2.103 2.475 ( -1.933 0.075 -6.773) 7.044 2.781 ( 0.839 -0.154 -6.328) 6.385 2.983 ( 6.471 1.145 1.994) 6.867 3.057 ( -3.018 -0.928 -0.209) 3.164 3.129 ( -0.675 -0.635 -1.357) 1.643 3.177 ( 2.767 -0.045 0.018) 2.767 3.806 ( -1.179 0.046 1.492) 1.902 3.991 ( -1.724 -0.160 -3.824) 4.197 4.219 ( 0.247 0.065 0.972) 1.005 4.326 ( 2.558 0.327 -1.369) 2.920 4.401 ( 2.910 0.164 2.587) 3.897 4.478 ( -3.329 -0.094 4.441) 5.551 4.655 ( 6.141 0.150 -5.924) 8.534 4.732 ( -0.235 -0.189 -2.826) 2.842 4.783 ( 0.967 0.125 0.099) 0.980 4.826 ( -0.786 0.247 -1.265) 1.510 4.980 ( -0.879 -0.054 3.151) 3.272 5.169 ( -3.258 0.131 12.050) 12.483 5.281 ( 2.170 0.209 -7.637) 7.942 5.506 ( 3.549 0.064 3.248) 4.812 5.615 ( -7.719 -0.395 0.472) 7.743 5.758 ( -0.816 0.611 -4.183) 4.306 6.668 ( -0.533 -0.079 3.400) 3.443 6.867 ( -0.066 0.279 -1.846) 1.868 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 17.964 -0.000 3.297) 18.265 0.766 ( 12.633 -0.000 5.592) 13.815 1.045 ( 12.302 -0.000 -0.679) 12.321 1.180 ( -1.931 0.000 -3.264) 3.793 1.338 ( 20.391 -0.000 16.013) 25.927 1.492 ( 6.725 -0.000 -0.813) 6.774 1.513 ( 3.100 -0.000 -1.301) 3.362 1.786 ( 6.757 -0.000 0.801) 6.804 1.825 ( 1.810 -0.000 6.422) 6.672 1.863 ( 9.936 -0.000 -3.973) 10.700 2.037 ( -4.323 0.000 -0.681) 4.377 2.106 ( -2.069 0.000 -0.466) 2.121 2.147 ( 1.700 -0.000 -1.421) 2.216 2.390 ( 3.994 -0.000 -3.586) 5.367 2.472 ( 7.556 -0.000 2.155) 7.857 2.658 ( 9.256 -0.000 -2.460) 9.577 2.745 ( 0.968 -0.000 4.363) 4.469 3.118 ( -2.294 0.000 -8.198) 8.513 3.887 ( 3.715 -0.000 1.098) 3.874 3.972 ( 9.155 -0.000 -0.487) 9.168 4.051 ( 6.989 -0.000 -1.640) 7.178 4.237 ( 3.653 -0.000 -6.843) 7.757 4.321 ( -0.082 0.000 0.867) 0.870 4.369 ( -4.449 0.000 -2.494) 5.100 4.577 ( -2.459 0.000 0.618) 2.535 4.624 ( 1.610 -0.000 -0.451) 1.672 4.806 ( -3.245 0.000 0.948) 3.381 4.887 ( 0.720 -0.000 -2.590) 2.688 4.929 ( -0.029 0.000 0.076) 0.081 5.036 ( 1.286 -0.000 -2.990) 3.255 5.525 ( -1.507 0.000 5.115) 5.332 5.731 ( -6.678 0.000 3.737) 7.652 5.907 ( -0.743 0.000 0.187) 0.766 6.301 ( -7.292 0.000 -6.548) 9.800 6.862 ( -4.998 0.000 5.401) 7.358 6.903 ( -0.652 0.000 2.508) 2.591 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 6.989 -0.309 2.094) 7.303 1.030 ( 16.376 1.581 1.587) 16.529 1.151 ( -0.370 0.559 -0.493) 0.832 1.282 ( 12.663 -0.418 3.594) 13.170 1.584 ( 5.435 1.160 -0.918) 5.633 1.630 ( 7.226 -1.558 -0.244) 7.396 1.652 ( 11.060 -1.712 5.375) 12.415 1.809 ( -0.709 0.916 3.497) 3.684 1.922 ( -2.537 6.149 0.554) 6.675 1.974 ( 2.936 1.280 -4.704) 5.691 2.017 ( 4.846 -5.233 1.777) 7.351 2.130 ( 9.419 -1.646 2.268) 9.827 2.185 ( 1.242 0.019 1.395) 1.868 2.535 ( 10.207 -0.186 -2.321) 10.469 2.615 ( 8.534 -0.098 1.920) 8.748 2.675 ( -2.154 0.074 0.785) 2.293 2.912 ( 10.504 0.025 -0.690) 10.527 3.105 ( 0.591 -0.426 -7.325) 7.362 3.939 ( 1.113 -0.104 1.692) 2.028 4.117 ( 5.681 -0.137 -0.676) 5.723 4.160 ( 3.838 -0.146 -2.927) 4.829 4.230 ( -2.869 -0.027 0.991) 3.036 4.331 ( 0.842 0.115 -1.499) 1.724 4.344 ( 1.767 0.018 -6.143) 6.392 4.499 ( -4.053 -0.019 3.620) 5.434 4.647 ( 0.799 0.185 -1.044) 1.328 4.752 ( -1.973 0.067 1.003) 2.214 4.882 ( -0.660 0.043 -1.773) 1.892 4.951 ( 2.001 -0.013 1.061) 2.265 5.088 ( 3.654 0.110 -3.091) 4.787 5.498 ( -1.277 0.250 5.108) 5.271 5.588 ( -8.003 1.023 5.684) 9.869 5.884 ( -1.396 1.279 -1.972) 2.734 6.144 ( -9.501 -0.820 -5.017) 10.775 6.782 ( -3.632 0.001 4.070) 5.455 6.893 ( -0.341 0.291 0.630) 0.773 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 1.420 0.222 1.145) 1.837 1.121 ( -0.751 -0.371 -1.171) 1.439 1.322 ( 13.299 3.741 2.566) 14.052 1.499 ( 9.556 0.294 5.130) 10.850 1.687 ( 4.720 0.615 0.639) 4.803 1.752 ( 3.069 2.031 -0.130) 3.683 1.777 ( -0.876 3.034 0.048) 3.159 1.786 ( 2.557 0.520 0.364) 2.635 1.862 ( 3.153 -3.696 2.370) 5.406 1.999 ( 0.893 -0.014 -2.819) 2.957 2.066 ( 1.124 -2.374 1.630) 3.091 2.183 ( -1.331 -0.726 2.430) 2.864 2.448 ( 17.013 -1.552 3.655) 17.471 2.630 ( -1.540 -0.009 0.203) 1.553 2.672 ( 4.721 -0.547 -1.897) 5.117 2.839 ( 13.564 0.170 -0.751) 13.586 3.062 ( 5.053 -0.220 -0.513) 5.084 3.127 ( 0.940 -0.426 -5.456) 5.553 3.916 ( -3.231 -0.080 1.952) 3.776 4.154 ( -4.455 -0.190 -4.457) 6.305 4.191 ( 2.667 -0.082 -0.061) 2.669 4.201 ( -0.001 -0.006 0.604) 0.604 4.341 ( 1.378 0.213 -1.183) 1.829 4.408 ( 4.982 0.005 -4.412) 6.655 4.491 ( 2.054 0.047 5.152) 5.546 4.661 ( 1.123 0.167 -0.910) 1.455 4.736 ( 0.323 0.227 0.436) 0.588 4.870 ( -0.617 0.115 -1.303) 1.447 4.986 ( 1.356 -0.035 1.692) 2.169 5.157 ( 3.689 0.177 -3.849) 5.334 5.428 ( -8.128 1.094 7.088) 10.840 5.479 ( -0.882 -0.027 4.910) 4.988 5.843 ( -2.083 1.891 -3.134) 4.212 5.963 ( -10.095 -1.076 -3.671) 10.796 6.724 ( -2.600 -0.090 3.669) 4.498 6.886 ( -0.255 0.522 -0.717) 0.923 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.386 -0.015 0.897) 0.977 1.102 ( -1.509 -0.517 -0.843) 1.804 1.465 ( 2.528 4.968 2.709) 6.198 1.612 ( 2.840 0.954 4.212) 5.168 1.681 ( -1.157 2.168 0.030) 2.458 1.690 ( -0.879 3.159 -0.326) 3.296 1.859 ( 7.098 -0.325 3.683) 8.003 1.892 ( 4.330 0.350 1.036) 4.466 1.956 ( 2.526 -2.893 0.401) 3.862 2.021 ( 1.553 -1.453 0.669) 2.230 2.123 ( 3.884 -1.854 1.386) 4.521 2.162 ( -0.505 -2.034 1.736) 2.721 2.532 ( -3.211 0.114 -4.021) 5.147 2.743 ( 2.766 -0.383 -4.340) 5.161 2.798 ( 13.534 -0.575 3.925) 14.104 3.057 ( 8.828 0.213 -1.649) 8.983 3.100 ( -0.847 -0.409 0.350) 1.003 3.134 ( -0.188 -0.567 -3.032) 3.090 3.849 ( -3.265 0.027 1.700) 3.681 4.051 ( -5.038 -0.257 -4.194) 6.561 4.211 ( 0.712 0.082 0.757) 1.042 4.256 ( 4.248 0.175 1.298) 4.445 4.371 ( 1.506 0.344 -0.375) 1.589 4.513 ( 0.207 0.100 3.825) 3.832 4.526 ( 6.781 -0.031 -4.095) 7.922 4.696 ( 2.540 0.066 -1.022) 2.739 4.757 ( 1.738 0.244 -0.092) 1.757 4.854 ( -1.164 0.170 -1.646) 2.024 4.995 ( -0.450 -0.067 2.605) 2.645 5.225 ( 3.681 0.240 -5.521) 6.640 5.277 ( -7.214 0.504 9.161) 11.672 5.473 ( 0.375 0.009 4.422) 4.438 5.768 ( -7.793 0.522 -1.971) 8.056 5.808 ( -3.951 0.190 -3.999) 5.625 6.686 ( -1.542 -0.120 3.587) 3.906 6.878 ( -0.329 0.512 -1.511) 1.629 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.268 -0.145 0.578) 0.654 1.076 ( -1.166 -0.227 -0.713) 1.385 1.406 ( -3.634 2.812 3.528) 5.793 1.613 ( -0.975 0.441 -0.102) 1.075 1.674 ( -0.239 -0.059 2.942) 2.952 1.700 ( 1.011 1.859 0.180) 2.124 1.924 ( 0.741 0.236 0.444) 0.896 1.963 ( 1.252 -0.705 1.100) 1.810 1.989 ( 2.160 -0.546 6.310) 6.692 2.045 ( -0.006 -0.681 4.158) 4.213 2.201 ( 3.741 -0.961 0.268) 3.872 2.215 ( 3.066 -0.992 0.063) 3.223 2.476 ( -1.999 0.058 -6.692) 6.984 2.779 ( 0.997 -0.136 -6.225) 6.306 2.993 ( 6.986 0.842 1.561) 7.208 3.051 ( -3.175 -0.055 0.747) 3.262 3.119 ( -0.627 -1.230 -1.879) 2.331 3.177 ( 2.873 0.032 -0.066) 2.874 3.806 ( -1.217 0.035 1.497) 1.930 3.989 ( -1.582 -0.142 -3.744) 4.066 4.219 ( 0.191 0.055 0.984) 1.004 4.329 ( 2.364 0.279 -1.390) 2.756 4.402 ( 2.788 0.138 2.598) 3.813 4.478 ( -3.356 -0.063 4.409) 5.541 4.656 ( 6.170 0.119 -5.930) 8.558 4.730 ( -0.318 -0.166 -2.789) 2.812 4.784 ( 0.844 0.109 0.100) 0.857 4.828 ( -0.907 0.198 -1.278) 1.579 4.979 ( -0.834 -0.047 3.204) 3.311 5.170 ( -3.428 0.104 12.023) 12.503 5.283 ( 2.001 0.166 -7.655) 7.914 5.506 ( 3.664 0.057 3.188) 4.857 5.611 ( -7.582 -0.301 0.629) 7.614 5.764 ( -1.366 0.495 -4.354) 4.590 6.668 ( -0.461 -0.061 3.494) 3.524 6.870 ( -0.331 0.228 -1.857) 1.900 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.208 0.619 0.515) 0.831 1.077 ( 1.497 -0.191 -0.618) 1.631 1.358 ( -0.986 -1.658 3.963) 4.408 1.601 ( -0.297 -0.868 -0.967) 1.333 1.652 ( -3.012 -2.109 2.357) 4.368 1.675 ( -2.660 -0.361 0.772) 2.793 1.919 ( -1.159 -0.289 1.038) 1.582 1.976 ( -1.163 0.584 3.786) 4.004 1.995 ( -0.724 0.014 3.946) 4.012 2.053 ( 0.971 0.109 3.925) 4.044 2.228 ( -1.123 1.619 0.207) 1.981 2.243 ( -0.093 1.568 -0.227) 1.587 2.474 ( 1.859 -0.077 -6.875) 7.123 2.782 ( -0.672 0.136 -6.458) 6.494 2.973 ( -5.898 -0.962 2.213) 6.372 3.068 ( 2.475 1.272 -1.078) 2.984 3.132 ( 1.075 -0.008 -0.760) 1.317 3.178 ( -2.645 0.106 0.145) 2.651 3.805 ( 1.140 -0.048 1.486) 1.873 3.992 ( 1.872 0.139 -3.909) 4.336 4.218 ( -0.306 -0.060 0.959) 1.008 4.323 ( -2.769 -0.297 -1.343) 3.092 4.399 ( -3.044 -0.152 2.569) 3.986 4.479 ( 3.307 0.106 4.474) 5.565 4.654 ( -6.101 -0.148 -5.926) 8.507 4.733 ( 0.144 0.168 -2.868) 2.877 4.782 ( -1.092 -0.110 0.108) 1.103 4.823 ( 0.633 -0.242 -1.255) 1.426 4.980 ( 0.931 0.048 3.098) 3.236 5.168 ( 3.076 -0.128 12.075) 12.461 5.279 ( -2.346 -0.206 -7.614) 7.970 5.505 ( -3.429 -0.056 3.311) 4.767 5.619 ( 7.910 0.408 0.298) 7.926 5.752 ( 0.183 -0.595 -3.996) 4.044 6.669 ( 0.619 0.080 3.301) 3.359 6.865 ( -0.222 -0.267 -1.834) 1.866 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.305 0.095 1.044) 1.092 1.116 ( 2.139 0.810 -1.004) 2.498 1.349 ( -4.123 -5.997 3.714) 8.170 1.583 ( -3.986 -2.064 1.707) 4.802 1.611 ( -0.877 -3.554 -0.001) 3.661 1.640 ( -0.787 -2.211 -0.521) 2.404 1.862 ( -7.021 -0.031 5.783) 9.096 1.894 ( -3.564 0.288 2.644) 4.447 2.000 ( -0.085 1.513 -1.025) 1.830 2.062 ( -0.339 2.173 2.202) 3.112 2.167 ( -3.256 2.569 0.826) 4.229 2.213 ( -0.869 2.594 0.120) 2.738 2.529 ( 3.246 -0.163 -4.441) 5.504 2.753 ( -2.330 0.535 -4.772) 5.337 2.812 ( -11.384 0.820 3.873) 12.053 3.051 ( -8.599 -0.325 -1.733) 8.778 3.115 ( 0.966 1.041 -0.267) 1.445 3.146 ( -0.470 0.502 -2.125) 2.234 3.849 ( 3.361 -0.047 1.700) 3.767 4.058 ( 5.159 0.359 -4.530) 6.875 4.209 ( -0.692 -0.112 0.717) 1.003 4.251 ( -3.972 -0.285 1.156) 4.146 4.362 ( -1.662 -0.502 -0.077) 1.738 4.512 ( -0.784 0.012 3.225) 3.319 4.525 ( -6.236 -0.073 -3.509) 7.156 4.694 ( -2.762 -0.103 -0.922) 2.913 4.751 ( -1.927 -0.349 -0.102) 1.960 4.848 ( 1.126 -0.353 -1.965) 2.292 4.997 ( 0.453 0.116 2.455) 2.499 5.218 ( -3.713 -0.370 -5.521) 6.664 5.264 ( 6.235 -0.816 9.391) 11.302 5.473 ( -0.461 -0.018 4.273) 4.298 5.753 ( 3.060 -0.846 -2.163) 3.842 5.805 ( 8.008 -0.153 -3.004) 8.554 6.690 ( 1.664 0.256 3.050) 3.484 6.864 ( -0.122 -0.825 -1.445) 1.669 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -1.148 -0.346 1.268) 1.745 1.131 ( -0.466 0.542 -1.365) 1.541 1.220 ( -11.843 -5.550 3.437) 13.523 1.479 ( -8.415 -1.649 2.313) 8.882 1.649 ( 1.604 -6.661 -0.426) 6.864 1.657 ( -1.136 -2.725 1.521) 3.321 1.717 ( -6.307 -1.301 1.614) 6.638 1.822 ( -3.526 1.868 2.887) 4.925 1.946 ( -4.127 4.550 0.028) 6.143 2.021 ( -2.524 2.071 -1.296) 3.513 2.109 ( -1.524 1.710 2.169) 3.155 2.200 ( -0.319 0.600 0.484) 0.834 2.497 ( -12.852 2.987 2.205) 13.377 2.632 ( -0.034 0.259 0.559) 0.617 2.689 ( -4.258 1.056 -2.156) 4.888 2.833 ( -13.702 -0.365 -0.636) 13.722 3.069 ( -5.650 0.469 -0.439) 5.687 3.141 ( -0.215 0.920 -5.362) 5.445 3.919 ( 3.472 0.160 2.036) 4.028 4.160 ( 4.003 0.349 -3.861) 5.572 4.195 ( -1.392 0.261 -0.689) 1.575 4.201 ( -0.139 0.024 0.430) 0.453 4.334 ( -1.261 -0.441 -1.130) 1.750 4.407 ( -4.950 -0.022 -4.350) 6.590 4.489 ( -2.005 -0.036 5.162) 5.538 4.656 ( -1.399 -0.340 -0.838) 1.666 4.729 ( -0.326 -0.485 0.426) 0.723 4.865 ( 0.609 -0.382 -1.717) 1.862 4.988 ( -1.362 0.102 1.572) 2.082 5.151 ( -3.753 -0.425 -3.870) 5.408 5.391 ( 6.138 -2.459 7.406) 9.928 5.478 ( 0.885 -0.186 4.718) 4.804 5.795 ( 1.464 -2.511 -1.077) 3.100 5.987 ( 10.560 1.104 -4.156) 11.402 6.728 ( 2.619 0.365 2.907) 3.930 6.868 ( 0.008 -1.240 -0.636) 1.394 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -10.122 -2.366 1.419) 10.491 0.976 ( -10.452 0.428 2.767) 10.820 1.125 ( -0.932 -1.906 -0.411) 2.161 1.291 ( -11.333 0.157 4.173) 12.078 1.561 ( -6.086 -0.770 0.802) 6.186 1.657 ( -4.669 -0.727 0.784) 4.790 1.705 ( -1.113 -5.013 -0.736) 5.187 1.746 ( -6.557 2.032 3.411) 7.666 1.833 ( -3.887 0.303 2.906) 4.863 1.952 ( -4.343 -0.819 -3.135) 5.418 2.076 ( -1.945 0.939 1.327) 2.534 2.179 ( -2.272 -0.423 0.719) 2.420 2.218 ( -9.668 5.643 2.022) 11.375 2.542 ( -11.333 0.437 -2.148) 11.543 2.620 ( -7.352 0.433 1.370) 7.491 2.671 ( 2.125 -0.304 0.698) 2.257 2.911 ( -10.672 0.002 -0.443) 10.682 3.126 ( -0.206 1.529 -7.118) 7.284 3.945 ( -1.006 0.399 1.852) 2.145 4.123 ( -5.392 0.474 -0.013) 5.413 4.169 ( -3.872 0.787 -3.552) 5.313 4.231 ( 2.982 0.099 0.958) 3.133 4.325 ( -0.799 -0.427 -1.532) 1.780 4.343 ( -1.957 -0.089 -5.878) 6.196 4.501 ( 4.105 0.198 3.470) 5.379 4.637 ( -1.151 -0.831 -0.892) 1.677 4.749 ( 2.265 -0.243 0.928) 2.460 4.879 ( 0.725 -0.279 -2.055) 2.197 4.952 ( -2.030 0.094 0.862) 2.207 5.081 ( -3.793 -0.551 -2.995) 4.864 5.479 ( 1.331 -2.298 4.890) 5.564 5.534 ( 4.435 -3.726 6.218) 8.498 5.836 ( 1.673 -2.519 1.168) 3.242 6.176 ( 10.236 1.906 -5.904) 11.969 6.783 ( 3.408 0.205 3.277) 4.733 6.878 ( 0.418 -1.246 0.636) 1.460 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -15.180 0.522 4.141) 15.744 0.804 ( -10.862 2.900 4.890) 12.260 1.063 ( -10.149 0.641 0.173) 10.171 1.157 ( 0.857 -1.872 -0.650) 2.159 1.400 ( -20.762 5.617 14.017) 25.673 1.464 ( -5.280 -1.046 -0.362) 5.394 1.564 ( -4.998 3.011 -1.177) 5.952 1.709 ( -3.839 -6.614 -0.172) 7.650 1.820 ( -0.299 -0.870 1.799) 2.020 1.839 ( -9.025 -1.533 -1.868) 9.342 2.035 ( -1.056 -1.522 0.709) 1.983 2.119 ( -0.341 1.633 -0.895) 1.893 2.155 ( -0.035 0.814 -0.440) 0.926 2.387 ( -4.133 -0.190 -3.799) 5.617 2.484 ( -7.331 0.972 1.539) 7.553 2.654 ( -9.294 -0.463 -2.459) 9.625 2.746 ( -0.904 0.113 4.847) 4.932 3.137 ( 2.372 1.690 -7.825) 8.349 3.891 ( -3.774 0.364 1.204) 3.978 3.976 ( -9.321 0.394 -0.205) 9.331 4.055 ( -7.132 0.543 -1.938) 7.411 4.235 ( -4.224 -0.245 -6.861) 8.060 4.319 ( 0.268 -0.148 0.780) 0.837 4.367 ( 4.469 -0.211 -2.183) 4.978 4.573 ( 1.940 -0.388 0.841) 2.149 4.618 ( -1.199 -0.657 -0.060) 1.369 4.804 ( 2.643 -0.123 0.532) 2.699 4.887 ( -0.433 -0.141 -2.407) 2.449 4.928 ( -0.153 -0.030 -0.211) 0.262 5.029 ( -1.426 -0.675 -2.621) 3.060 5.505 ( 0.469 -2.721 4.834) 5.567 5.627 ( 1.723 -8.889 6.051) 10.890 5.883 ( 2.344 -0.953 3.765) 4.537 6.341 ( 8.338 2.902 -8.346) 12.149 6.855 ( 4.346 -0.497 4.810) 6.501 6.896 ( 1.044 -0.628 2.197) 2.513 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -10.081 6.575 6.936) 13.891 0.570 ( -10.841 5.772 11.066) 16.532 0.836 ( -14.400 5.193 2.734) 15.550 1.019 ( -12.541 2.039 15.668) 20.172 1.211 ( 2.842 -1.151 -5.217) 6.051 1.375 ( -4.248 -1.393 -0.781) 4.538 1.487 ( -1.924 1.780 1.904) 3.240 1.642 ( -10.207 -1.518 -0.371) 10.326 1.651 ( -4.213 -2.795 -0.690) 5.103 1.835 ( 1.314 0.320 5.073) 5.250 2.066 ( 2.015 -5.030 -0.974) 5.506 2.135 ( 2.622 0.336 -1.562) 3.070 2.181 ( 2.498 1.267 -2.241) 3.587 2.335 ( -5.601 0.784 -2.030) 6.009 2.368 ( -1.128 0.508 -2.668) 2.941 2.452 ( -9.924 -0.345 -1.896) 10.110 2.799 ( 5.639 -0.123 7.079) 9.051 3.191 ( 3.726 1.395 -7.953) 8.893 3.808 ( -7.386 0.124 0.286) 7.393 3.823 ( -2.951 0.165 0.609) 3.018 3.927 ( -5.708 -0.013 -1.257) 5.844 4.066 ( -15.654 -1.482 -13.845) 20.950 4.328 ( 0.499 0.097 1.150) 1.257 4.459 ( 4.675 -0.125 -1.518) 4.917 4.578 ( -0.819 -0.467 0.716) 1.184 4.599 ( -0.873 -0.156 0.759) 1.167 4.802 ( -4.629 -3.263 -0.753) 5.713 4.868 ( -0.472 1.123 0.797) 1.456 4.941 ( 1.010 -0.193 -0.810) 1.309 5.043 ( 1.828 -0.709 -2.806) 3.423 5.524 ( -0.425 -4.974 5.691) 7.570 5.685 ( -0.951 -13.394 7.605) 15.431 5.930 ( 2.408 0.450 5.607) 6.119 6.450 ( 4.860 4.021 -11.207) 12.860 6.917 ( 0.971 0.031 3.960) 4.078 6.963 ( 6.688 -2.287 6.426) 9.553 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.280 ( 0.000 15.715 6.432) 16.981 0.404 ( 0.000 6.538 17.901) 19.057 0.615 ( 0.000 2.940 20.160) 20.374 0.920 ( 0.000 0.499 6.152) 6.172 1.240 ( 0.000 1.115 -9.631) 9.696 1.354 ( -0.000 -3.185 -1.552) 3.543 1.465 ( 0.000 1.053 3.353) 3.515 1.531 ( -0.000 -0.550 3.129) 3.176 1.616 ( -0.000 -1.655 -0.445) 1.714 1.859 ( -0.000 -0.761 5.174) 5.230 2.120 ( -0.000 -2.741 -3.950) 4.807 2.199 ( 0.000 0.111 -1.932) 1.935 2.201 ( -0.000 -0.560 1.413) 1.520 2.248 ( 0.000 2.816 -3.457) 4.459 2.330 ( 0.000 0.116 -1.787) 1.791 2.365 ( 0.000 0.473 -4.140) 4.167 2.939 ( -0.000 -2.307 1.834) 2.947 3.230 ( 0.000 1.264 -8.130) 8.228 3.733 ( 0.000 0.065 0.212) 0.222 3.745 ( 0.000 0.084 -0.148) 0.171 3.800 ( 0.000 0.064 1.074) 1.076 3.872 ( 0.000 0.083 -0.764) 0.769 4.333 ( 0.000 0.131 1.142) 1.150 4.515 ( 0.000 0.066 -5.209) 5.209 4.565 ( 0.000 0.046 0.354) 0.357 4.602 ( 0.000 0.042 -0.558) 0.560 4.731 ( -0.000 -4.319 7.672) 8.805 4.861 ( 0.000 0.994 1.764) 2.025 4.954 ( -0.000 -0.287 -0.636) 0.698 5.070 ( -0.000 -0.903 -3.285) 3.407 5.544 ( -0.000 -4.451 5.878) 7.373 5.745 ( -0.000 -16.795 7.059) 18.218 5.957 ( -0.000 -0.213 6.064) 6.068 6.475 ( 0.000 4.920 -12.052) 13.017 6.926 ( 0.000 0.272 4.787) 4.795 7.090 ( -0.000 -6.795 2.199) 7.142 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 1.505 -0.000 1.112) 1.872 1.119 ( -0.951 0.000 -1.137) 1.483 1.341 ( 13.417 -0.000 2.457) 13.640 1.500 ( 9.776 -0.000 5.559) 11.246 1.690 ( 4.812 -0.000 -0.083) 4.813 1.766 ( 7.255 -0.000 -0.108) 7.256 1.770 ( 0.825 -0.000 0.733) 1.103 1.821 ( -6.406 0.000 -0.627) 6.436 1.831 ( 5.799 -0.000 2.794) 6.437 2.001 ( 0.274 -0.000 -3.421) 3.432 2.052 ( 1.571 -0.000 1.998) 2.542 2.179 ( -1.548 0.000 2.860) 3.252 2.440 ( 17.603 -0.000 3.852) 18.019 2.630 ( -1.698 0.000 0.181) 1.707 2.669 ( 4.799 -0.000 -1.865) 5.149 2.840 ( 13.546 -0.000 -0.765) 13.568 3.061 ( 4.951 -0.000 -0.523) 4.979 3.125 ( 1.066 -0.000 -5.473) 5.576 3.916 ( -3.195 0.000 1.939) 3.738 4.153 ( -4.496 0.000 -4.521) 6.376 4.191 ( 2.819 -0.000 0.019) 2.819 4.201 ( -0.020 0.000 0.614) 0.614 4.342 ( 1.395 -0.000 -1.193) 1.835 4.408 ( 4.989 -0.000 -4.422) 6.666 4.491 ( 2.056 -0.000 5.153) 5.547 4.662 ( 1.084 -0.000 -0.924) 1.424 4.737 ( 0.323 -0.000 0.440) 0.546 4.870 ( -0.616 0.000 -1.248) 1.392 4.986 ( 1.354 -0.000 1.711) 2.182 5.158 ( 3.684 -0.000 -3.846) 5.326 5.433 ( -8.509 0.000 7.101) 11.083 5.479 ( -0.757 0.000 4.893) 4.951 5.853 ( -2.148 0.000 -3.585) 4.180 5.957 ( -10.094 0.000 -3.465) 10.672 6.724 ( -2.606 0.000 3.783) 4.593 6.889 ( -0.287 0.000 -0.725) 0.779 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.600 -0.000 0.870) 1.057 1.099 ( -1.304 -0.186 -0.789) 1.536 1.500 ( 2.086 1.977 2.417) 3.755 1.619 ( 2.811 0.298 4.892) 5.650 1.695 ( -1.850 0.766 0.178) 2.010 1.714 ( -1.921 1.382 -0.302) 2.386 1.856 ( 6.953 -0.195 2.926) 7.546 1.899 ( 5.094 0.820 0.107) 5.161 1.931 ( 3.103 -2.011 1.281) 3.914 2.012 ( 1.486 -0.463 0.070) 1.558 2.109 ( 4.651 -0.802 1.533) 4.962 2.148 ( -0.846 -0.683 2.470) 2.699 2.533 ( -3.206 0.042 -3.915) 5.060 2.740 ( 2.886 -0.140 -4.247) 5.137 2.794 ( 14.056 -0.213 3.932) 14.597 3.058 ( 8.932 0.077 -1.608) 9.076 3.097 ( -0.697 -0.116 0.564) 0.904 3.130 ( -0.515 -0.231 -3.334) 3.382 3.850 ( -3.240 0.009 1.699) 3.659 4.050 ( -5.010 -0.094 -4.109) 6.480 4.211 ( 0.714 0.030 0.767) 1.048 4.257 ( 4.322 0.062 1.334) 4.524 4.373 ( 1.466 0.125 -0.457) 1.541 4.514 ( -0.183 0.049 4.279) 4.283 4.525 ( 7.164 -0.021 -4.543) 8.483 4.696 ( 2.476 0.024 -1.053) 2.691 4.759 ( 1.691 0.089 -0.078) 1.695 4.855 ( -1.163 0.056 -1.573) 1.957 4.994 ( -0.452 -0.023 2.644) 2.683 5.226 ( 3.677 0.086 -5.525) 6.637 5.281 ( -7.450 0.178 9.115) 11.773 5.473 ( 0.359 0.003 4.458) 4.472 5.771 ( -9.356 0.180 -1.820) 9.533 5.810 ( -2.578 0.081 -4.358) 5.064 6.685 ( -1.525 -0.039 3.723) 4.024 6.882 ( -0.434 0.182 -1.524) 1.595 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.621 -0.006 0.540) 0.823 1.074 ( -1.276 -0.202 -0.677) 1.459 1.430 ( -5.186 1.955 3.349) 6.476 1.617 ( -1.582 0.224 0.206) 1.611 1.672 ( -1.074 -0.206 3.130) 3.315 1.715 ( -0.098 1.033 -0.158) 1.049 1.926 ( 0.372 0.212 0.282) 0.513 1.956 ( 1.478 -0.568 -0.209) 1.597 1.984 ( 2.952 -0.493 7.627) 8.193 2.039 ( 0.353 -0.452 4.154) 4.193 2.194 ( 4.597 -0.417 0.326) 4.627 2.208 ( 4.298 -0.459 0.248) 4.330 2.476 ( -2.044 0.031 -6.641) 6.948 2.778 ( 1.109 -0.080 -6.163) 6.263 2.999 ( 6.679 0.251 1.030) 6.762 3.056 ( -2.262 0.792 2.078) 3.172 3.106 ( -0.922 -1.328 -2.708) 3.154 3.178 ( 2.925 0.041 -0.103) 2.927 3.806 ( -1.245 0.019 1.500) 1.949 3.988 ( -1.479 -0.083 -3.688) 3.974 4.220 ( 0.151 0.032 0.992) 1.004 4.331 ( 2.228 0.161 -1.403) 2.638 4.404 ( 2.703 0.078 2.602) 3.753 4.477 ( -3.378 -0.029 4.385) 5.535 4.657 ( 6.186 0.065 -5.938) 8.575 4.729 ( -0.376 -0.098 -2.764) 2.791 4.785 ( 0.754 0.064 0.108) 0.764 4.829 ( -0.981 0.109 -1.287) 1.622 4.979 ( -0.804 -0.028 3.243) 3.341 5.171 ( -3.547 0.057 12.004) 12.517 5.284 ( 1.880 0.090 -7.666) 7.893 5.507 ( 3.745 0.033 3.144) 4.890 5.609 ( -7.503 -0.161 0.738) 7.541 5.768 ( -1.736 0.276 -4.472) 4.805 6.667 ( -0.415 -0.033 3.560) 3.584 6.872 ( -0.515 0.127 -1.865) 1.939 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -0.003 0.702 0.360) 0.789 1.074 ( 2.107 -0.398 -0.442) 2.189 1.347 ( -3.152 -0.745 4.121) 5.242 1.591 ( -1.145 -1.150 -1.103) 1.962 1.635 ( -3.467 -1.176 2.658) 4.524 1.672 ( -3.487 -0.281 0.095) 3.499 1.916 ( -1.225 -0.228 1.374) 1.855 1.981 ( -1.588 0.462 5.368) 5.617 1.994 ( 0.221 -0.174 2.477) 2.493 2.053 ( 1.390 -0.058 3.854) 4.098 2.243 ( 0.007 1.387 0.159) 1.396 2.256 ( 0.765 1.038 -0.184) 1.303 2.474 ( 1.791 -0.060 -6.977) 7.204 2.783 ( -0.533 0.091 -6.582) 6.605 2.965 ( -5.550 -0.585 2.318) 6.043 3.080 ( 1.702 1.170 -2.197) 3.015 3.129 ( 1.924 -0.389 0.168) 1.970 3.179 ( -2.601 0.080 0.276) 2.616 3.805 ( 1.107 -0.036 1.480) 1.849 3.994 ( 1.991 0.092 -3.980) 4.451 4.218 ( -0.354 -0.042 0.947) 1.012 4.320 ( -2.947 -0.203 -1.319) 3.235 4.398 ( -3.157 -0.106 2.547) 4.058 4.480 ( 3.294 0.085 4.503) 5.580 4.652 ( -6.063 -0.109 -5.934) 8.484 4.735 ( 0.068 0.113 -2.905) 2.908 4.781 ( -1.191 -0.074 0.125) 1.199 4.821 ( 0.485 -0.178 -1.248) 1.351 4.981 ( 0.979 0.033 3.057) 3.210 5.167 ( 2.923 -0.094 12.095) 12.443 5.277 ( -2.489 -0.151 -7.593) 7.992 5.505 ( -3.330 -0.037 3.361) 4.731 5.622 ( 8.120 0.314 0.147) 8.128 5.747 ( -0.394 -0.438 -3.834) 3.879 6.670 ( 0.698 0.060 3.218) 3.293 6.862 ( -0.468 -0.192 -1.823) 1.892 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.588 0.110 1.147) 1.294 1.124 ( 2.378 0.722 -1.040) 2.694 1.296 ( -5.072 -4.686 4.167) 8.065 1.560 ( -4.716 -2.515 0.802) 5.405 1.585 ( -1.026 -1.943 -0.074) 2.198 1.620 ( -1.689 -1.672 -0.741) 2.489 1.861 ( -6.807 -0.090 6.580) 9.468 1.896 ( -3.431 0.263 3.104) 4.634 2.012 ( 0.525 0.956 -1.022) 1.495 2.080 ( 1.014 1.537 2.242) 2.901 2.192 ( -3.574 2.421 0.485) 4.344 2.235 ( -1.620 1.689 -0.119) 2.344 2.527 ( 3.280 -0.129 -4.663) 5.703 2.757 ( -2.124 0.425 -5.030) 5.477 2.820 ( -10.234 0.688 3.823) 10.947 3.048 ( -8.525 -0.278 -1.755) 8.708 3.125 ( 0.836 1.122 -0.643) 1.540 3.149 ( -0.560 0.186 -1.611) 1.715 3.848 ( 3.410 -0.042 1.699) 3.810 4.061 ( 5.228 0.285 -4.702) 7.037 4.208 ( -0.675 -0.088 0.694) 0.972 4.248 ( -3.841 -0.247 1.082) 3.998 4.357 ( -1.741 -0.407 0.060) 1.789 4.513 ( -0.715 0.091 3.395) 3.471 4.524 ( -6.322 -0.124 -3.679) 7.316 4.693 ( -2.858 -0.086 -0.885) 2.993 4.748 ( -2.024 -0.280 -0.075) 2.045 4.845 ( 1.072 -0.341 -2.150) 2.427 4.998 ( 0.462 0.104 2.380) 2.427 5.215 ( -3.739 -0.311 -5.534) 6.686 5.256 ( 5.695 -0.702 9.545) 11.137 5.473 ( -0.517 -0.018 4.190) 4.221 5.745 ( 1.385 -0.704 -2.074) 2.591 5.803 ( 9.377 -0.095 -2.688) 9.755 6.692 ( 1.769 0.253 2.769) 3.295 6.856 ( -0.389 -0.717 -1.400) 1.620 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -1.312 -0.384 1.236) 1.843 1.136 ( -1.206 0.390 -1.470) 1.941 1.171 ( -10.165 -4.374 4.092) 11.798 1.461 ( -7.712 -2.164 0.863) 8.056 1.591 ( 0.067 -5.098 0.288) 5.107 1.628 ( -0.106 -3.008 0.088) 3.011 1.708 ( -7.955 -0.499 3.650) 8.767 1.838 ( -2.685 1.383 3.924) 4.952 1.986 ( -2.769 3.288 -1.901) 4.700 2.046 ( -3.628 3.021 -0.159) 4.724 2.123 ( -2.128 1.324 2.285) 3.392 2.202 ( -1.502 -0.306 -0.009) 1.533 2.525 ( -9.803 2.501 1.106) 10.177 2.636 ( -1.752 0.523 1.048) 2.108 2.699 ( -4.006 0.916 -2.355) 4.737 2.830 ( -13.805 -0.346 -0.543) 13.820 3.074 ( -5.960 0.444 -0.383) 5.989 3.150 ( 0.141 0.868 -5.321) 5.394 3.920 ( 3.619 0.145 2.086) 4.180 4.163 ( 3.564 0.288 -3.348) 4.899 4.197 ( -0.350 0.260 -0.810) 0.920 4.202 ( -0.253 0.078 -0.120) 0.291 4.329 ( -1.187 -0.406 -1.105) 1.672 4.407 ( -4.940 -0.027 -4.314) 6.559 4.489 ( -1.929 0.014 5.183) 5.530 4.652 ( -1.597 -0.316 -0.809) 1.818 4.724 ( -0.335 -0.447 0.433) 0.707 4.861 ( 0.579 -0.467 -2.013) 2.146 4.989 ( -1.357 0.114 1.503) 2.028 5.146 ( -3.823 -0.430 -3.889) 5.470 5.367 ( 4.875 -2.463 7.812) 9.532 5.476 ( 0.692 -0.231 4.498) 4.557 5.773 ( 1.289 -1.924 -0.099) 2.318 5.996 ( 10.861 0.790 -4.224) 11.680 6.733 ( 2.700 0.483 2.417) 3.655 6.855 ( -0.197 -1.282 -0.548) 1.408 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -11.188 -2.072 1.776) 11.516 0.992 ( -6.199 2.044 2.299) 6.920 1.106 ( -2.079 -2.011 -0.163) 2.897 1.291 ( -10.558 -0.346 4.454) 11.464 1.555 ( -6.066 -0.416 1.057) 6.171 1.613 ( -2.124 -8.087 1.814) 8.555 1.653 ( -1.907 -3.409 -0.404) 3.927 1.784 ( -3.431 3.767 1.848) 5.420 1.858 ( -8.008 4.594 2.283) 9.511 1.947 ( -5.336 -0.296 -2.839) 6.051 2.081 ( -2.906 0.049 1.630) 3.332 2.172 ( -2.158 -1.024 0.708) 2.491 2.271 ( -10.138 4.996 1.710) 11.431 2.546 ( -12.007 0.300 -1.865) 12.155 2.625 ( -6.630 0.489 0.840) 6.701 2.668 ( 2.049 -0.359 0.601) 2.165 2.912 ( -10.780 0.063 -0.219) 10.783 3.141 ( 0.065 1.533 -6.995) 7.162 3.949 ( -0.922 0.417 1.971) 2.216 4.128 ( -5.166 0.443 0.422) 5.202 4.178 ( -3.826 1.050 -4.003) 5.637 4.232 ( 3.053 0.097 0.923) 3.191 4.321 ( -0.781 -0.443 -1.521) 1.766 4.342 ( -2.097 -0.100 -5.752) 6.123 4.504 ( 4.198 0.385 3.334) 5.375 4.628 ( -1.548 -1.047 -0.741) 2.010 4.747 ( 2.542 -0.239 0.888) 2.703 4.875 ( 0.736 -0.442 -2.291) 2.446 4.953 ( -2.016 0.155 0.684) 2.134 5.075 ( -3.966 -0.698 -2.960) 4.997 5.442 ( 0.834 -5.010 6.378) 8.153 5.506 ( 2.132 -1.815 5.515) 6.185 5.816 ( 2.418 -1.653 2.635) 3.940 6.193 ( 10.608 1.555 -6.166) 12.368 6.787 ( 3.269 0.457 2.669) 4.245 6.864 ( 0.490 -1.492 0.698) 1.719 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -11.417 3.838 3.841) 12.643 0.834 ( -9.724 3.193 4.166) 11.050 1.061 ( -7.477 -0.901 0.793) 7.573 1.141 ( -1.387 -1.392 2.680) 3.323 1.449 ( -19.034 2.633 8.796) 21.133 1.457 ( -5.522 0.335 3.489) 6.540 1.589 ( -5.250 1.987 -0.635) 5.649 1.649 ( -2.334 -4.281 -1.144) 5.009 1.802 ( -4.641 -2.157 -5.430) 7.461 1.833 ( -4.535 -0.039 3.084) 5.485 2.014 ( -3.635 -2.651 1.440) 4.723 2.131 ( -1.441 0.719 -0.093) 1.613 2.167 ( -0.248 1.633 -0.469) 1.717 2.386 ( -4.268 -0.196 -3.980) 5.839 2.493 ( -7.201 0.985 1.004) 7.338 2.648 ( -9.268 -0.620 -2.473) 9.612 2.747 ( -0.931 0.195 5.348) 5.432 3.155 ( 2.449 1.929 -7.483) 8.107 3.895 ( -3.832 0.439 1.313) 4.074 3.980 ( -9.479 0.439 0.085) 9.490 4.063 ( -7.279 0.936 -2.317) 7.696 4.232 ( -5.014 -0.539 -6.907) 8.552 4.318 ( 0.454 -0.165 0.711) 0.860 4.365 ( 4.501 -0.268 -1.844) 4.872 4.568 ( 1.125 -0.607 1.213) 1.762 4.610 ( -0.540 -0.767 0.317) 0.990 4.804 ( 2.079 0.079 0.138) 2.085 4.883 ( -0.376 -0.610 -2.190) 2.304 4.929 ( -0.133 0.256 -0.564) 0.634 5.021 ( -1.494 -0.976 -2.420) 3.007 5.455 ( -2.553 -7.961 7.080) 10.956 5.557 ( 1.306 -4.491 6.602) 8.091 5.877 ( 3.415 -0.243 4.867) 5.951 6.367 ( 8.684 2.393 -9.074) 12.786 6.851 ( 3.698 -0.463 4.428) 5.788 6.890 ( 1.606 -0.674 1.828) 2.525 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -4.636 10.963 6.485) 13.555 0.628 ( -8.784 5.951 10.844) 15.172 0.887 ( -10.990 4.731 -0.891) 11.999 1.048 ( -14.581 3.839 17.088) 22.789 1.196 ( 3.212 -1.651 -1.563) 3.935 1.366 ( -4.926 -0.269 -1.317) 5.106 1.507 ( -2.340 2.155 1.434) 3.489 1.614 ( -4.185 -4.133 -0.706) 5.924 1.626 ( -9.253 -1.969 -0.862) 9.499 1.836 ( 0.898 -0.415 2.800) 2.969 2.013 ( 1.352 -5.698 -0.072) 5.857 2.138 ( 2.414 0.322 -1.177) 2.704 2.189 ( 2.262 0.374 -3.158) 3.902 2.341 ( -4.093 0.525 -3.671) 5.523 2.374 ( -2.081 0.639 -1.883) 2.878 2.448 ( -9.827 -0.467 -1.878) 10.016 2.797 ( 5.039 -0.237 7.567) 9.094 3.207 ( 3.673 1.829 -7.443) 8.499 3.810 ( -7.435 0.174 0.329) 7.444 3.825 ( -3.077 0.233 0.639) 3.151 3.928 ( -6.164 0.068 -1.410) 6.324 4.047 ( -16.163 -2.311 -11.784) 20.135 4.330 ( 0.601 0.138 1.139) 1.295 4.458 ( 4.761 -0.177 -1.300) 4.939 4.572 ( -0.316 -0.863 1.728) 1.957 4.597 ( -1.169 -0.210 1.010) 1.559 4.768 ( -6.518 -3.479 -0.043) 7.389 4.875 ( -0.408 0.300 1.477) 1.562 4.942 ( 1.149 0.425 -1.385) 1.849 5.036 ( 1.786 -0.665 -1.973) 2.743 5.437 ( -3.882 -11.782 10.842) 16.475 5.597 ( 0.584 -4.700 7.668) 9.013 5.935 ( 2.598 0.609 5.876) 6.454 6.484 ( 4.897 2.823 -12.459) 13.681 6.917 ( 1.594 -0.155 3.943) 4.255 6.942 ( 4.781 -1.725 5.225) 7.289 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.000 15.992 4.906) 16.728 0.488 ( 0.000 10.198 14.621) 17.826 0.660 ( 0.000 6.496 15.704) 16.995 0.928 ( 0.000 1.244 9.076) 9.161 1.256 ( 0.000 2.101 -9.021) 9.263 1.312 ( -0.000 -5.054 0.167) 5.057 1.479 ( 0.000 1.734 2.939) 3.413 1.523 ( -0.000 -1.097 2.606) 2.828 1.592 ( -0.000 -3.159 -0.361) 3.180 1.851 ( -0.000 -1.005 3.733) 3.866 2.075 ( -0.000 -5.790 -2.277) 6.222 2.193 ( -0.000 -0.978 1.581) 1.859 2.210 ( 0.000 1.265 -6.298) 6.424 2.271 ( 0.000 1.906 -4.819) 5.182 2.332 ( 0.000 0.184 -1.859) 1.868 2.371 ( 0.000 0.538 -4.064) 4.099 2.912 ( -0.000 -3.198 4.601) 5.603 3.245 ( 0.000 1.652 -7.583) 7.761 3.734 ( 0.000 0.115 0.207) 0.236 3.746 ( 0.000 0.149 -0.166) 0.223 3.801 ( 0.000 0.114 1.076) 1.082 3.873 ( 0.000 0.146 -0.774) 0.787 4.335 ( 0.000 0.227 1.163) 1.185 4.516 ( 0.000 0.195 -5.437) 5.440 4.566 ( 0.000 0.082 0.352) 0.361 4.603 ( 0.000 0.074 -0.559) 0.564 4.678 ( -0.000 -6.127 11.587) 13.108 4.870 ( 0.000 0.560 2.061) 2.136 4.952 ( 0.000 0.178 -1.139) 1.153 5.060 ( -0.000 -0.842 -1.584) 1.794 5.455 ( -0.000 -12.841 12.553) 17.957 5.626 ( -0.000 -6.194 9.230) 11.115 5.959 ( 0.000 0.519 6.103) 6.125 6.516 ( 0.000 3.294 -14.070) 14.450 6.930 ( 0.000 0.504 3.972) 4.004 7.027 ( -0.000 -5.510 4.999) 7.440 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.782 -0.000 0.519) 0.938 1.073 ( -1.354 0.000 -0.655) 1.504 1.440 ( -5.755 0.000 3.283) 6.626 1.618 ( -1.859 0.000 0.311) 1.885 1.671 ( -1.372 0.000 3.204) 3.486 1.720 ( -0.505 0.000 -0.305) 0.590 1.927 ( 0.112 -0.000 0.241) 0.266 1.953 ( 1.672 -0.000 -0.785) 1.847 1.981 ( 3.333 -0.000 8.229) 8.879 2.036 ( 0.481 -0.000 4.129) 4.157 2.192 ( 4.894 -0.000 0.352) 4.907 2.206 ( 4.752 -0.000 0.324) 4.763 2.476 ( -2.060 0.000 -6.623) 6.936 2.778 ( 1.150 -0.000 -6.143) 6.250 3.000 ( 6.300 -0.000 0.825) 6.353 3.061 ( -1.369 0.000 3.256) 3.532 3.098 ( -1.319 0.000 -3.697) 3.926 3.178 ( 2.938 -0.000 -0.112) 2.940 3.807 ( -1.254 0.000 1.501) 1.956 3.988 ( -1.442 0.000 -3.668) 3.941 4.220 ( 0.137 -0.000 0.995) 1.004 4.332 ( 2.180 -0.000 -1.407) 2.594 4.404 ( 2.673 -0.000 2.603) 3.731 4.477 ( -3.387 0.000 4.376) 5.534 4.658 ( 6.191 -0.000 -5.942) 8.581 4.728 ( -0.396 0.000 -2.756) 2.784 4.785 ( 0.721 -0.000 0.111) 0.730 4.830 ( -1.006 0.000 -1.291) 1.637 4.979 ( -0.794 0.000 3.257) 3.353 5.171 ( -3.590 0.000 11.997) 12.522 5.285 ( 1.836 -0.000 -7.669) 7.886 5.507 ( 3.774 -0.000 3.128) 4.902 5.608 ( -7.478 0.000 0.776) 7.518 5.769 ( -1.866 0.000 -4.514) 4.884 6.667 ( -0.400 0.000 3.584) 3.606 6.872 ( -0.581 0.000 -1.868) 1.956 ======================= Grid point 218 (80/147) ======================= q-point: (-0.69 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.693 0.397 0.170) 0.817 1.070 ( 3.040 -0.288 -0.239) 3.063 1.343 ( -4.475 -0.174 4.209) 6.146 1.582 ( -1.847 -0.582 -0.919) 2.144 1.628 ( -3.296 -0.301 2.712) 4.279 1.670 ( -4.010 -0.116 -0.473) 4.039 1.915 ( -1.241 -0.086 1.596) 2.023 1.984 ( -2.737 0.239 7.792) 8.262 1.992 ( 1.685 -0.160 0.086) 1.695 2.053 ( 1.620 -0.040 3.838) 4.167 2.253 ( 0.689 0.621 0.095) 0.933 2.262 ( 1.090 0.278 -0.088) 1.128 2.473 ( 1.751 -0.023 -7.043) 7.257 2.784 ( -0.455 0.032 -6.660) 6.675 2.961 ( -5.391 -0.190 2.362) 5.889 3.089 ( 0.761 0.539 -3.491) 3.613 3.126 ( 2.998 -0.275 1.356) 3.302 3.180 ( -2.624 0.024 0.358) 2.649 3.805 ( 1.089 -0.013 1.477) 1.835 3.994 ( 2.057 0.031 -4.020) 4.516 4.217 ( -0.381 -0.015 0.941) 1.015 4.319 ( -3.049 -0.072 -1.305) 3.317 4.397 ( -3.222 -0.038 2.533) 4.098 4.481 ( 3.288 0.033 4.520) 5.590 4.652 ( -6.039 -0.040 -5.940) 8.471 4.736 ( 0.024 0.040 -2.927) 2.928 4.780 ( -1.243 -0.026 0.138) 1.251 4.820 ( 0.392 -0.066 -1.246) 1.308 4.981 ( 1.008 0.012 3.034) 3.197 5.166 ( 2.837 -0.034 12.105) 12.433 5.276 ( -2.569 -0.056 -7.579) 8.003 5.504 ( -3.274 -0.013 3.389) 4.712 5.625 ( 8.267 0.119 0.058) 8.268 5.744 ( -0.749 -0.162 -3.739) 3.817 6.670 ( 0.746 0.022 3.171) 3.258 6.861 ( -0.609 -0.070 -1.817) 1.917 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.760 0.075 1.234) 1.451 1.129 ( 2.530 0.455 -1.036) 2.771 1.260 ( -5.835 -2.590 4.461) 7.788 1.539 ( -4.576 -1.609 0.595) 4.887 1.571 ( -1.748 -0.839 -0.460) 1.993 1.608 ( -2.179 -0.905 -0.948) 2.543 1.861 ( -6.645 -0.064 7.074) 9.706 1.899 ( -3.356 0.150 3.349) 4.744 2.019 ( 0.812 0.470 -0.898) 1.299 2.091 ( 2.045 0.771 2.114) 3.041 2.212 ( -3.826 1.611 0.234) 4.158 2.246 ( -2.208 0.642 -0.113) 2.302 2.526 ( 3.312 -0.070 -4.824) 5.852 2.761 ( -1.984 0.233 -5.226) 5.595 2.825 ( -9.416 0.398 3.773) 10.152 3.046 ( -8.474 -0.161 -1.769) 8.658 3.136 ( 0.707 0.950 -1.192) 1.680 3.149 ( -0.571 -0.201 -0.962) 1.137 3.848 ( 3.444 -0.025 1.698) 3.840 4.063 ( 5.280 0.156 -4.824) 7.154 4.207 ( -0.658 -0.048 0.676) 0.945 4.246 ( -3.755 -0.144 1.030) 3.897 4.354 ( -1.797 -0.226 0.149) 1.817 4.514 ( -0.326 0.104 3.973) 3.988 4.523 ( -6.724 -0.115 -4.254) 7.957 4.692 ( -2.919 -0.048 -0.868) 3.046 4.746 ( -2.092 -0.154 -0.039) 2.098 4.842 ( 1.017 -0.214 -2.293) 2.517 4.999 ( 0.470 0.062 2.328) 2.376 5.212 ( -3.762 -0.178 -5.550) 6.708 5.250 ( 5.297 -0.407 9.670) 11.033 5.473 ( -0.562 -0.011 4.128) 4.166 5.740 ( 0.428 -0.395 -1.961) 2.046 5.803 ( 10.135 -0.044 -2.517) 10.443 6.694 ( 1.867 0.161 2.566) 3.177 6.851 ( -0.598 -0.420 -1.363) 1.546 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -1.832 -0.426 1.126) 2.192 1.136 ( -8.253 -2.416 4.432) 9.674 1.139 ( -1.608 0.065 -1.261) 2.045 1.439 ( -7.161 -2.194 -0.057) 7.490 1.553 ( -1.485 -2.701 0.776) 3.178 1.602 ( -0.069 -2.242 -0.881) 2.410 1.705 ( -8.510 -0.186 4.856) 9.800 1.849 ( -2.088 0.826 4.671) 5.183 2.009 ( -1.730 1.543 -2.860) 3.681 2.078 ( -4.002 3.460 0.099) 5.291 2.134 ( -2.413 0.958 2.270) 3.449 2.194 ( -2.838 -1.214 -0.080) 3.088 2.544 ( -6.809 1.506 0.046) 6.974 2.642 ( -3.794 0.639 1.650) 4.186 2.706 ( -3.807 0.590 -2.556) 4.623 2.827 ( -13.901 -0.246 -0.449) 13.911 3.077 ( -6.189 0.318 -0.330) 6.206 3.157 ( 0.387 0.615 -5.299) 5.348 3.921 ( 3.740 0.099 2.125) 4.303 4.165 ( 3.136 0.179 -2.871) 4.255 4.199 ( 0.275 0.099 0.051) 0.297 4.203 ( 0.001 0.185 -1.612) 1.622 4.326 ( -1.126 -0.282 -1.091) 1.593 4.407 ( -4.937 -0.023 -4.284) 6.537 4.490 ( -1.827 0.044 5.208) 5.520 4.650 ( -1.788 -0.225 -0.793) 1.969 4.720 ( -0.347 -0.306 0.444) 0.642 4.856 ( 0.529 -0.411 -2.281) 2.377 4.990 ( -1.347 0.093 1.451) 1.982 5.143 ( -3.900 -0.324 -3.910) 5.532 5.345 ( 3.743 -1.835 8.245) 9.238 5.474 ( 0.519 -0.183 4.294) 4.329 5.758 ( 1.270 -1.165 0.618) 1.831 6.002 ( 11.087 0.466 -4.235) 11.877 6.737 ( 2.842 0.459 1.985) 3.497 6.844 ( -0.434 -1.012 -0.438) 1.185 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -8.503 -0.635 1.213) 8.613 1.014 ( -5.138 2.517 2.280) 6.159 1.087 ( -2.938 -1.711 0.299) 3.413 1.284 ( -9.899 -0.993 4.598) 10.960 1.532 ( -3.894 -6.871 0.402) 7.908 1.556 ( -5.415 -0.419 3.819) 6.640 1.620 ( -1.464 -3.272 -1.138) 3.761 1.814 ( -1.270 2.385 2.518) 3.693 1.912 ( -9.480 5.912 1.415) 11.262 1.946 ( -5.781 0.092 -3.464) 6.740 2.078 ( -4.381 -0.680 1.565) 4.702 2.160 ( -1.813 -1.405 1.207) 2.592 2.313 ( -10.657 3.627 1.513) 11.358 2.548 ( -12.475 0.152 -1.543) 12.571 2.629 ( -6.071 0.461 0.322) 6.097 2.664 ( 1.922 -0.372 0.463) 2.012 2.912 ( -10.866 0.091 0.010) 10.866 3.155 ( 0.303 1.209 -6.899) 7.011 3.952 ( -0.842 0.340 2.080) 2.270 4.132 ( -4.974 0.322 0.735) 5.039 4.189 ( -3.673 1.060 -4.369) 5.805 4.233 ( 3.104 0.071 0.883) 3.228 4.317 ( -0.769 -0.361 -1.507) 1.730 4.341 ( -2.241 -0.086 -5.687) 6.113 4.508 ( 4.410 0.562 3.154) 5.451 4.617 ( -2.120 -1.107 -0.538) 2.451 4.745 ( 2.852 -0.182 0.866) 2.986 4.871 ( 0.674 -0.534 -2.529) 2.671 4.955 ( -1.943 0.193 0.506) 2.017 5.068 ( -4.197 -0.682 -2.965) 5.184 5.391 ( -0.827 -4.973 8.242) 9.661 5.494 ( 1.432 -0.806 4.725) 5.003 5.804 ( 3.120 -0.904 3.581) 4.835 6.206 ( 10.881 1.063 -6.275) 12.606 6.792 ( 3.189 0.723 2.044) 3.857 6.849 ( 0.535 -1.535 0.852) 1.835 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -6.926 6.381 2.508) 9.746 0.865 ( -8.989 2.958 3.105) 9.960 1.049 ( -4.892 -1.255 1.829) 5.372 1.131 ( -3.689 -0.801 6.247) 7.299 1.431 ( -11.682 -5.049 3.420) 13.178 1.466 ( -6.434 0.048 5.956) 8.767 1.590 ( -3.159 -1.402 -0.391) 3.478 1.655 ( -7.900 4.867 -0.628) 9.300 1.788 ( -6.791 -0.541 -6.115) 9.155 1.834 ( -3.367 0.044 2.538) 4.216 1.985 ( -5.439 -3.376 1.887) 6.674 2.134 ( -1.044 -0.073 1.080) 1.504 2.184 ( -1.953 1.570 -0.762) 2.620 2.384 ( -4.401 -0.153 -4.126) 6.035 2.502 ( -7.125 0.853 0.532) 7.195 2.642 ( -9.177 -0.673 -2.519) 9.540 2.749 ( -1.053 0.218 5.860) 5.958 3.173 ( 2.529 1.723 -7.158) 7.785 3.899 ( -3.888 0.413 1.429) 4.163 3.984 ( -9.625 0.365 0.370) 9.639 4.074 ( -7.401 1.306 -2.798) 8.019 4.225 ( -6.175 -0.899 -6.958) 9.346 4.316 ( 0.647 -0.144 0.664) 0.938 4.362 ( 4.551 -0.269 -1.456) 4.786 4.561 ( -0.062 -0.777 1.837) 1.996 4.603 ( 0.466 -0.633 0.606) 0.992 4.806 ( 1.532 0.481 -0.290) 1.631 4.874 ( -0.416 -1.231 -1.997) 2.382 4.933 ( 0.103 0.661 -0.891) 1.114 5.011 ( -1.548 -1.202 -2.434) 3.125 5.369 ( -4.669 -8.648 10.910) 14.684 5.531 ( 1.730 -1.552 5.308) 5.794 5.876 ( 4.053 0.028 5.442) 6.786 6.387 ( 8.777 1.670 -9.406) 12.973 6.847 ( 2.937 -0.378 4.231) 5.165 6.884 ( 2.401 -0.526 1.386) 2.822 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -1.460 12.470 5.585) 13.742 0.684 ( -7.070 5.639 9.960) 13.454 0.921 ( -7.321 2.296 0.213) 7.676 1.080 ( -12.121 1.667 12.752) 17.672 1.190 ( -0.179 1.089 4.554) 4.686 1.370 ( -4.761 1.057 -1.740) 5.178 1.527 ( -2.493 1.844 0.756) 3.191 1.571 ( -3.795 -4.268 -0.880) 5.779 1.608 ( -9.326 -1.541 -1.418) 9.559 1.825 ( -0.016 -1.924 0.199) 1.934 1.960 ( 0.893 -5.026 0.943) 5.191 2.140 ( 1.916 0.051 -0.366) 1.952 2.189 ( 1.753 -0.460 -3.466) 3.911 2.345 ( -2.644 0.193 -4.882) 5.556 2.380 ( -3.299 0.551 -1.455) 3.648 2.443 ( -9.673 -0.488 -1.883) 9.867 2.794 ( 4.292 -0.344 8.198) 9.260 3.225 ( 3.540 1.799 -6.918) 7.977 3.812 ( -7.499 0.185 0.378) 7.511 3.827 ( -3.219 0.247 0.679) 3.299 3.929 ( -6.972 0.258 -1.664) 7.173 4.022 ( -16.099 -2.746 -9.165) 18.728 4.331 ( 0.722 0.154 1.158) 1.373 4.456 ( 4.869 -0.201 -0.904) 4.957 4.562 ( 0.077 -1.135 3.320) 3.510 4.595 ( -1.462 -0.187 0.973) 1.766 4.738 ( -7.722 -2.573 0.002) 8.139 4.876 ( -0.343 -0.064 1.726) 1.761 4.950 ( 1.418 1.030 -1.696) 2.439 5.030 ( 2.028 -0.603 -1.931) 2.865 5.327 ( -3.861 -9.961 13.790) 17.444 5.569 ( 1.283 -1.828 5.895) 6.303 5.941 ( 2.744 0.603 6.118) 6.732 6.505 ( 4.540 1.663 -12.647) 13.540 6.912 ( 2.908 -0.912 5.324) 6.135 6.933 ( 2.912 -0.247 2.719) 3.992 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 0.000 10.484 10.389) 14.759 0.594 ( 0.000 11.208 11.796) 16.272 0.743 ( 0.000 10.210 4.351) 11.098 0.945 ( 0.000 2.282 13.511) 13.703 1.263 ( -0.000 -4.657 2.367) 5.224 1.280 ( 0.000 2.847 -8.067) 8.555 1.498 ( 0.000 2.131 2.320) 3.150 1.509 ( -0.000 -1.643 1.747) 2.399 1.556 ( -0.000 -4.305 -0.232) 4.311 1.837 ( -0.000 -2.191 0.753) 2.316 2.017 ( -0.000 -5.914 -0.439) 5.930 2.183 ( -0.000 -1.163 1.822) 2.161 2.215 ( -0.000 -0.358 -7.929) 7.937 2.286 ( 0.000 1.255 -5.470) 5.612 2.334 ( 0.000 0.192 -1.953) 1.962 2.374 ( 0.000 0.041 -4.053) 4.054 2.881 ( -0.000 -3.024 7.248) 7.854 3.261 ( 0.000 1.536 -6.898) 7.067 3.735 ( 0.000 0.139 0.198) 0.242 3.748 ( 0.000 0.180 -0.191) 0.262 3.802 ( 0.000 0.137 1.079) 1.087 3.874 ( 0.000 0.175 -0.786) 0.806 4.337 ( 0.000 0.272 1.220) 1.250 4.519 ( 0.000 0.377 -5.707) 5.719 4.567 ( 0.000 0.099 0.348) 0.362 4.604 ( 0.000 0.088 -0.561) 0.567 4.621 ( -0.000 -5.299 13.825) 14.805 4.872 ( 0.000 0.038 2.113) 2.113 4.958 ( 0.000 0.995 -1.471) 1.776 5.054 ( -0.000 -0.377 -0.851) 0.931 5.338 ( -0.000 -10.320 14.112) 17.483 5.591 ( -0.000 -2.185 6.561) 6.915 5.965 ( 0.000 0.699 6.228) 6.267 6.540 ( 0.000 1.661 -13.975) 14.073 6.935 ( 0.000 0.556 3.311) 3.357 6.985 ( -0.000 -3.157 5.066) 5.969 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.815 0.000 1.268) 1.507 1.132 ( 2.590 -0.000 -1.030) 2.788 1.247 ( -6.140 0.000 4.563) 7.650 1.531 ( -4.497 0.000 0.577) 4.534 1.567 ( -2.040 0.000 -0.635) 2.136 1.603 ( -2.321 0.000 -1.035) 2.541 1.860 ( -6.587 0.000 7.240) 9.788 1.899 ( -3.330 0.000 3.426) 4.778 2.022 ( 0.894 -0.000 -0.840) 1.227 2.095 ( 2.418 -0.000 2.049) 3.170 2.221 ( -3.918 0.000 0.119) 3.919 2.248 ( -2.425 0.000 -0.058) 2.425 2.526 ( 3.326 -0.000 -4.883) 5.908 2.762 ( -1.934 0.000 -5.299) 5.641 2.827 ( -9.122 0.000 3.752) 9.863 3.045 ( -8.455 0.000 -1.774) 8.639 3.142 ( 1.085 -0.000 -2.395) 2.629 3.147 ( -0.996 0.000 0.277) 1.034 3.848 ( 3.456 -0.000 1.698) 3.851 4.064 ( 5.300 -0.000 -4.868) 7.196 4.207 ( -0.652 0.000 0.669) 0.934 4.245 ( -3.726 0.000 1.012) 3.861 4.353 ( -1.817 0.000 0.179) 1.826 4.514 ( 0.031 -0.000 4.472) 4.472 4.523 ( -7.084 0.000 -4.750) 8.530 4.692 ( -2.940 0.000 -0.863) 3.064 4.745 ( -2.115 0.000 -0.022) 2.116 4.841 ( 0.992 -0.000 -2.347) 2.548 4.999 ( 0.474 -0.000 2.309) 2.358 5.211 ( -3.772 0.000 -5.558) 6.717 5.248 ( 5.150 -0.000 9.720) 11.000 5.473 ( -0.579 0.000 4.105) 4.145 5.738 ( 0.121 -0.000 -1.913) 1.917 5.803 ( 10.374 -0.000 -2.465) 10.662 6.695 ( 1.907 -0.000 2.492) 3.138 6.849 ( -0.678 0.000 -1.348) 1.509 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -2.364 -0.215 1.044) 2.593 1.120 ( -6.551 -0.787 5.118) 8.350 1.140 ( -2.037 0.062 -1.608) 2.596 1.422 ( -7.042 -0.962 -0.386) 7.118 1.536 ( -2.304 -0.756 0.974) 2.613 1.586 ( -0.200 -0.833 -1.410) 1.650 1.704 ( -8.688 -0.049 5.379) 10.218 1.854 ( -1.790 0.273 5.052) 5.366 2.018 ( -1.460 0.435 -2.949) 3.319 2.106 ( -3.789 1.779 -0.493) 4.214 2.142 ( -1.652 0.528 2.389) 2.952 2.182 ( -4.523 -1.103 0.095) 4.657 2.554 ( -4.968 0.475 -0.582) 5.024 2.647 ( -5.156 0.303 2.044) 5.555 2.710 ( -3.691 0.197 -2.692) 4.573 2.825 ( -13.961 -0.089 -0.387) 13.966 3.080 ( -6.308 0.115 -0.297) 6.316 3.162 ( 0.508 0.221 -5.290) 5.319 3.922 ( 3.808 0.035 2.146) 4.371 4.166 ( 2.882 0.059 -2.594) 3.878 4.200 ( 0.284 0.017 0.515) 0.588 4.204 ( 0.520 0.095 -2.447) 2.504 4.324 ( -1.093 -0.100 -1.086) 1.543 4.407 ( -4.937 -0.009 -4.268) 6.526 4.490 ( -1.747 0.024 5.226) 5.510 4.648 ( -1.911 -0.082 -0.786) 2.068 4.718 ( -0.355 -0.107 0.452) 0.584 4.853 ( 0.486 -0.167 -2.441) 2.494 4.991 ( -1.337 0.036 1.425) 1.954 5.140 ( -3.953 -0.121 -3.924) 5.571 5.333 ( 3.073 -0.679 8.525) 9.087 5.472 ( 0.423 -0.069 4.174) 4.196 5.750 ( 1.300 -0.385 0.992) 1.680 6.005 ( 11.206 0.154 -4.231) 11.979 6.741 ( 2.977 0.199 1.723) 3.446 6.837 ( -0.619 -0.396 -0.353) 0.816 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -6.142 0.058 0.463) 6.159 1.039 ( -4.668 2.353 1.559) 5.455 1.073 ( -2.743 -1.192 1.575) 3.380 1.272 ( -9.561 -1.374 4.348) 10.593 1.476 ( -5.373 -4.008 3.030) 7.356 1.558 ( -5.469 0.498 2.281) 5.946 1.592 ( -1.490 -2.475 -1.550) 3.279 1.831 ( -0.546 1.215 3.552) 3.794 1.946 ( -7.683 0.229 -2.927) 8.225 1.968 ( -7.169 4.780 -0.961) 8.670 2.067 ( -6.538 -1.560 1.333) 6.853 2.147 ( -0.962 -1.093 2.106) 2.560 2.340 ( -11.116 1.906 1.414) 11.367 2.549 ( -12.721 0.052 -1.304) 12.788 2.633 ( -5.774 0.328 -0.025) 5.783 2.661 ( 1.855 -0.285 0.323) 1.904 2.913 ( -10.919 0.064 0.180) 10.920 3.164 ( 0.462 0.660 -6.840) 6.887 3.955 ( -0.784 0.190 2.156) 2.302 4.134 ( -4.858 0.166 0.902) 4.944 4.198 ( -3.469 0.684 -4.589) 5.793 4.234 ( 3.126 0.033 0.852) 3.240 4.314 ( -0.763 -0.201 -1.497) 1.692 4.340 ( -2.360 -0.049 -5.680) 6.151 4.514 ( 4.770 0.499 2.953) 5.632 4.607 ( -2.792 -0.806 -0.320) 2.924 4.743 ( 3.109 -0.095 0.860) 3.227 4.866 ( 0.554 -0.395 -2.701) 2.786 4.957 ( -1.832 0.146 0.385) 1.878 5.063 ( -4.416 -0.434 -3.000) 5.356 5.352 ( -2.087 -2.899 9.527) 10.175 5.489 ( 1.235 -0.360 4.344) 4.531 5.798 ( 3.559 -0.389 4.088) 5.434 6.214 ( 11.045 0.535 -6.305) 12.729 6.800 ( 3.334 0.826 1.439) 3.724 6.835 ( 0.379 -1.267 1.146) 1.750 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -2.717 6.193 0.133) 6.764 0.889 ( -8.836 1.944 1.821) 9.229 1.045 ( -3.671 0.869 4.151) 5.609 1.122 ( -4.174 -1.087 8.623) 9.641 1.363 ( -10.390 -7.805 5.324) 14.044 1.469 ( -3.944 0.608 2.396) 4.654 1.572 ( -2.310 -2.246 -1.838) 3.709 1.713 ( -11.007 5.787 -0.224) 12.438 1.794 ( -7.864 1.761 -4.035) 9.012 1.833 ( -3.578 -0.005 1.118) 3.749 1.948 ( -6.494 -4.085 2.137) 7.964 2.132 ( -0.581 -0.254 1.971) 2.070 2.196 ( -3.420 0.947 -0.857) 3.651 2.383 ( -4.502 -0.092 -4.211) 6.165 2.510 ( -7.090 0.622 0.222) 7.120 2.636 ( -9.058 -0.554 -2.599) 9.440 2.751 ( -1.219 0.164 6.261) 6.381 3.187 ( 2.595 1.174 -6.912) 7.476 3.903 ( -3.929 0.293 1.527) 4.226 3.987 ( -9.726 0.225 0.571) 9.745 4.087 ( -7.381 1.348 -3.277) 8.187 4.215 ( -7.545 -1.051 -6.950) 10.312 4.315 ( 0.805 -0.096 0.646) 1.036 4.360 ( 4.610 -0.202 -1.106) 4.745 4.554 ( -1.146 -0.694 2.549) 2.880 4.598 ( 1.435 -0.369 0.724) 1.649 4.814 ( 1.118 1.012 -0.714) 1.669 4.860 ( -0.343 -1.695 -1.869) 2.546 4.941 ( 0.509 0.908 -0.998) 1.442 4.998 ( -1.752 -1.244 -2.687) 3.441 5.298 ( -5.146 -5.683 13.334) 15.381 5.520 ( 1.746 -0.731 4.664) 5.033 5.877 ( 4.407 0.077 5.763) 7.256 6.400 ( 8.758 0.971 -9.517) 12.970 6.843 ( 2.234 -0.266 4.191) 4.757 6.880 ( 3.199 -0.296 0.997) 3.364 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -5.502 4.505 10.179) 12.416 0.764 ( -0.608 11.763 2.390) 12.019 0.937 ( -5.475 1.144 4.146) 6.962 1.076 ( -7.138 -1.885 9.136) 11.746 1.208 ( -2.393 1.263 7.993) 8.438 1.386 ( -4.260 2.301 -1.666) 5.121 1.525 ( -3.788 -2.957 -1.262) 4.968 1.550 ( -4.277 0.700 -0.520) 4.365 1.602 ( -9.064 0.534 -0.878) 9.122 1.798 ( -1.536 -3.355 -1.606) 4.024 1.917 ( 0.856 -3.758 1.019) 3.987 2.140 ( 1.479 -0.081 0.544) 1.578 2.181 ( 1.010 -0.903 -2.972) 3.266 2.345 ( -1.649 -0.003 -5.552) 5.791 2.384 ( -4.348 0.428 -1.355) 4.574 2.438 ( -9.489 -0.423 -1.929) 9.692 2.791 ( 3.585 -0.363 8.802) 9.511 3.241 ( 3.372 1.402 -6.496) 7.452 3.813 ( -7.567 0.153 0.423) 7.580 3.830 ( -3.338 0.203 0.720) 3.421 3.933 ( -8.253 0.569 -2.064) 8.526 3.996 ( -15.048 -2.658 -6.622) 16.654 4.332 ( 0.835 0.139 1.203) 1.470 4.454 ( 4.946 -0.192 -0.351) 4.962 4.551 ( 0.276 -0.973 4.492) 4.604 4.593 ( -1.628 -0.123 0.755) 1.799 4.719 ( -7.920 -1.281 -0.742) 8.058 4.875 ( -0.240 -0.054 1.678) 1.695 4.961 ( 1.639 1.285 -1.728) 2.706 5.024 ( 2.467 -0.774 -2.729) 3.760 5.247 ( -2.897 -6.517 14.854) 16.477 5.555 ( 1.365 -1.023 5.082) 5.361 5.947 ( 2.860 0.467 6.309) 6.943 6.517 ( 4.156 0.887 -12.475) 13.179 6.902 ( 3.319 -0.847 5.817) 6.751 6.934 ( 2.377 0.265 1.458) 2.801 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 0.000 5.864 15.125) 16.222 0.700 ( 0.000 10.310 9.849) 14.258 0.838 ( 0.000 8.102 -3.765) 8.934 0.973 ( 0.000 3.368 15.711) 16.068 1.232 ( -0.000 -1.158 5.058) 5.189 1.311 ( 0.000 3.261 -6.858) 7.594 1.490 ( -0.000 -2.373 0.552) 2.437 1.511 ( -0.000 -4.547 -0.040) 4.547 1.520 ( 0.000 2.421 1.545) 2.872 1.806 ( -0.000 -3.989 -2.128) 4.522 1.964 ( -0.000 -4.874 0.367) 4.888 2.172 ( -0.000 -1.084 2.084) 2.349 2.205 ( -0.000 -1.493 -6.964) 7.122 2.297 ( 0.000 0.889 -5.621) 5.691 2.335 ( 0.000 0.156 -2.047) 2.052 2.371 ( -0.000 -0.483 -3.976) 4.005 2.854 ( -0.000 -2.356 9.163) 9.461 3.274 ( 0.000 1.241 -6.375) 6.495 3.736 ( 0.000 0.131 0.190) 0.230 3.750 ( 0.000 0.169 -0.218) 0.276 3.804 ( 0.000 0.129 1.082) 1.090 3.876 ( 0.000 0.164 -0.800) 0.816 4.340 ( 0.000 0.266 1.310) 1.337 4.523 ( 0.000 0.438 -5.606) 5.623 4.568 ( 0.000 0.094 0.344) 0.356 4.578 ( -0.000 -3.373 13.308) 13.729 4.604 ( 0.000 0.082 -0.562) 0.568 4.872 ( -0.000 -0.041 1.941) 1.942 4.970 ( 0.000 1.377 -1.505) 2.040 5.052 ( -0.000 -0.168 -1.404) 1.414 5.254 ( -0.000 -7.050 13.421) 15.159 5.575 ( -0.000 -1.295 5.484) 5.635 5.972 ( 0.000 0.636 6.384) 6.415 6.551 ( 0.000 0.757 -13.399) 13.420 6.939 ( 0.000 0.102 3.760) 3.761 6.964 ( -0.000 -1.255 3.718) 3.924 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -5.223 0.000 0.120) 5.225 1.054 ( -6.813 0.000 -1.853) 7.061 1.065 ( -0.019 0.000 5.264) 5.264 1.264 ( -9.614 0.000 4.076) 10.443 1.457 ( -6.198 0.000 3.838) 7.290 1.563 ( -6.074 0.000 2.563) 6.593 1.577 ( -0.877 0.000 -2.239) 2.405 1.837 ( -0.319 0.000 3.986) 3.999 1.946 ( -7.382 0.000 -3.649) 8.235 1.997 ( -6.404 0.000 -1.536) 6.586 2.055 ( -8.363 0.000 1.651) 8.524 2.141 ( -0.429 0.000 2.608) 2.643 2.350 ( -11.299 0.000 1.385) 11.383 2.549 ( -12.794 0.000 -1.218) 12.852 2.635 ( -5.731 0.000 -0.141) 5.733 2.659 ( 1.883 -0.000 0.261) 1.901 2.913 ( -10.936 0.000 0.242) 10.939 3.167 ( 0.518 -0.000 -6.820) 6.839 3.956 ( -0.763 0.000 2.183) 2.312 4.135 ( -4.821 0.000 0.952) 4.914 4.201 ( -3.372 0.000 -4.662) 5.753 4.234 ( 3.131 -0.000 0.842) 3.242 4.313 ( -0.761 0.000 -1.494) 1.676 4.340 ( -2.407 0.000 -5.687) 6.176 4.517 ( 5.003 -0.000 2.853) 5.760 4.603 ( -3.154 0.000 -0.213) 3.161 4.743 ( 3.211 -0.000 0.860) 3.324 4.864 ( 0.490 -0.000 -2.762) 2.805 4.958 ( -1.774 0.000 0.344) 1.807 5.060 ( -4.510 0.000 -3.022) 5.429 5.338 ( -2.515 0.000 9.993) 10.305 5.487 ( 1.186 -0.000 4.227) 4.391 5.796 ( 3.703 -0.000 4.246) 5.634 6.217 ( 11.100 -0.000 -6.309) 12.768 6.805 ( 3.785 -0.000 1.014) 3.919 6.828 ( -0.073 0.000 1.463) 1.465 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.005 2.468 -2.143) 3.269 0.901 ( -8.884 0.562 0.837) 8.941 1.069 ( -4.337 3.585 7.448) 9.334 1.105 ( -1.844 -2.596 8.196) 8.792 1.300 ( -11.441 -4.030 6.708) 13.862 1.475 ( -3.414 0.512 1.896) 3.938 1.552 ( -2.075 -1.277 -3.285) 4.090 1.753 ( -11.571 2.017 -1.618) 11.856 1.816 ( -4.850 1.669 -0.857) 5.200 1.838 ( -8.160 1.340 -0.656) 8.295 1.909 ( -6.173 -3.452 2.614) 7.540 2.130 ( -0.338 -0.121 2.462) 2.488 2.202 ( -4.214 0.303 -0.864) 4.313 2.382 ( -4.554 -0.030 -4.244) 6.225 2.514 ( -7.079 0.238 0.087) 7.084 2.632 ( -8.975 -0.221 -2.671) 9.367 2.753 ( -1.337 0.060 6.477) 6.614 3.195 ( 2.633 0.415 -6.780) 7.285 3.905 ( -3.951 0.106 1.582) 4.257 3.989 ( -9.776 0.074 0.665) 9.799 4.097 ( -7.204 0.637 -3.600) 8.079 4.206 ( -8.620 -0.530 -6.889) 11.047 4.314 ( 0.894 -0.033 0.644) 1.102 4.358 ( 4.651 -0.075 -0.896) 4.737 4.549 ( -1.708 -0.279 3.007) 3.470 4.596 ( 1.970 -0.115 0.750) 2.111 4.826 ( 1.081 1.512 -1.013) 2.117 4.842 ( -0.384 -1.790 -1.777) 2.551 4.949 ( 1.108 0.565 -0.835) 1.498 4.988 ( -2.263 -0.684 -3.075) 3.879 5.260 ( -5.126 -1.924 14.498) 15.498 5.516 ( 1.725 -0.229 4.394) 4.726 5.878 ( 4.567 0.034 5.913) 7.471 6.406 ( 8.725 0.318 -9.542) 12.934 6.842 ( 1.825 -0.099 4.199) 4.580 6.878 ( 3.682 -0.090 0.780) 3.765 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -5.845 1.684 9.256) 11.076 0.873 ( 1.285 9.542 -1.269) 9.712 0.947 ( -4.840 0.914 7.893) 9.304 1.054 ( -8.448 -2.239 11.101) 14.128 1.202 ( 2.729 -2.213 7.061) 7.887 1.413 ( -3.282 2.838 -0.964) 4.445 1.495 ( -5.529 -2.999 -3.532) 7.214 1.563 ( -5.981 1.602 -0.421) 6.206 1.616 ( -8.968 1.924 0.702) 9.199 1.764 ( -2.692 -3.259 -2.129) 4.732 1.887 ( 0.902 -2.287 -0.168) 2.464 2.139 ( 1.231 -0.067 1.263) 1.765 2.173 ( 0.351 -0.704 -2.198) 2.334 2.345 ( -1.144 -0.053 -5.857) 5.968 2.388 ( -4.997 0.272 -1.361) 5.187 2.435 ( -9.333 -0.263 -1.999) 9.548 2.788 ( 3.091 -0.238 9.220) 9.728 3.252 ( 3.238 0.762 -6.229) 7.062 3.815 ( -7.620 0.087 0.454) 7.634 3.831 ( -3.412 0.114 0.750) 3.495 3.941 ( -10.198 1.001 -2.726) 10.604 3.972 ( -12.991 -2.174 -4.559) 13.939 4.334 ( 0.916 0.084 1.246) 1.548 4.453 ( 4.962 -0.125 0.163) 4.966 4.544 ( 0.422 -0.505 4.825) 4.870 4.592 ( -1.690 -0.058 0.567) 1.784 4.711 ( -7.771 -0.424 -1.465) 7.919 4.875 ( -0.146 -0.005 1.604) 1.610 4.974 ( 1.662 1.204 -1.485) 2.533 5.015 ( 3.007 -0.948 -3.998) 5.091 5.200 ( -2.359 -3.210 15.788) 16.283 5.548 ( 1.362 -0.492 4.680) 4.899 5.950 ( 2.936 0.252 6.428) 7.071 6.523 ( 3.889 0.379 -12.281) 12.887 6.896 ( 3.343 -0.435 5.851) 6.753 6.936 ( 2.380 0.213 1.007) 2.593 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 2.878 15.253) 15.522 0.789 ( 0.000 7.600 8.690) 11.544 0.897 ( 0.000 4.504 2.537) 5.169 0.996 ( 0.000 0.578 8.251) 8.272 1.247 ( 0.000 3.902 7.533) 8.484 1.343 ( 0.000 3.228 -5.555) 6.425 1.458 ( -0.000 -4.097 -0.230) 4.103 1.477 ( -0.000 -2.421 -0.439) 2.460 1.544 ( 0.000 2.370 0.902) 2.536 1.763 ( -0.000 -4.444 -3.410) 5.601 1.922 ( -0.000 -3.675 -0.648) 3.732 2.162 ( -0.000 -0.765 2.309) 2.433 2.190 ( -0.000 -1.513 -4.718) 4.955 2.304 ( 0.000 0.594 -5.614) 5.645 2.337 ( 0.000 0.099 -2.120) 2.122 2.366 ( -0.000 -0.560 -3.907) 3.947 2.835 ( -0.000 -1.475 10.281) 10.386 3.284 ( 0.000 0.819 -6.073) 6.128 3.737 ( 0.000 0.093 0.182) 0.205 3.751 ( 0.000 0.120 -0.241) 0.269 3.805 ( 0.000 0.092 1.085) 1.089 3.877 ( 0.000 0.116 -0.810) 0.819 4.342 ( 0.000 0.199 1.404) 1.418 4.526 ( 0.000 0.030 -3.052) 3.053 4.555 ( -0.000 -1.362 9.553) 9.649 4.569 ( 0.000 0.067 0.340) 0.347 4.605 ( 0.000 0.058 -0.563) 0.566 4.872 ( 0.000 0.008 1.812) 1.812 4.984 ( 0.000 1.310 -1.365) 1.891 5.050 ( -0.000 -0.252 -3.050) 3.060 5.199 ( -0.000 -4.396 14.089) 14.759 5.565 ( -0.000 -0.755 4.931) 4.989 5.977 ( 0.000 0.432 6.504) 6.518 6.556 ( 0.000 0.302 -12.883) 12.886 6.936 ( -0.000 -0.451 5.174) 5.194 6.959 ( 0.000 0.030 1.704) 1.704 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -5.784 0.000 8.694) 10.442 0.927 ( 4.346 -0.000 -6.113) 7.500 0.951 ( -5.752 0.000 10.101) 11.624 1.040 ( -12.428 0.000 15.130) 19.580 1.186 ( 6.613 -0.000 6.317) 9.146 1.431 ( -1.572 0.000 0.886) 1.805 1.475 ( -7.023 0.000 -6.223) 9.384 1.573 ( -6.779 0.000 -0.136) 6.780 1.629 ( -9.616 0.000 1.596) 9.748 1.745 ( -2.749 0.000 -2.277) 3.570 1.875 ( 0.874 -0.000 -0.959) 1.298 2.139 ( 1.165 -0.000 1.548) 1.937 2.169 ( 0.085 -0.000 -1.845) 1.847 2.345 ( -1.004 0.000 -5.941) 6.025 2.389 ( -5.205 0.000 -1.368) 5.382 2.434 ( -9.272 0.000 -2.036) 9.492 2.786 ( 2.914 -0.000 9.368) 9.811 3.256 ( 3.188 -0.000 -6.139) 6.917 3.815 ( -7.641 0.000 0.466) 7.655 3.832 ( -3.436 0.000 0.761) 3.519 3.951 ( -15.915 0.000 -4.711) 16.598 3.955 ( -7.183 0.000 -2.100) 7.483 4.334 ( 0.946 -0.000 1.263) 1.578 4.452 ( 4.956 -0.000 0.371) 4.970 4.542 ( 0.491 -0.000 4.830) 4.855 4.592 ( -1.704 0.000 0.499) 1.775 4.709 ( -7.693 0.000 -1.736) 7.887 4.875 ( -0.108 0.000 1.576) 1.580 4.981 ( 1.452 -0.000 -0.971) 1.747 5.009 ( 3.439 -0.000 -4.974) 6.047 5.184 ( -2.218 0.000 16.224) 16.374 5.546 ( 1.357 -0.000 4.555) 4.753 5.951 ( 2.962 -0.000 6.468) 7.114 6.525 ( 3.796 -0.000 -12.203) 12.780 6.894 ( 3.342 -0.000 5.850) 6.737 6.937 ( 2.406 -0.000 0.879) 2.562 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.000 0.755 14.212) 14.232 0.842 ( 0.000 2.893 8.178) 8.675 0.933 ( 0.000 2.684 15.278) 15.512 0.987 ( -0.000 -1.576 -2.823) 3.234 1.285 ( 0.000 2.723 7.700) 8.168 1.370 ( 0.000 2.129 -4.721) 5.179 1.423 ( -0.000 -2.489 0.014) 2.489 1.459 ( -0.000 -1.045 -1.488) 1.818 1.562 ( 0.000 1.165 0.702) 1.360 1.729 ( -0.000 -2.124 -3.591) 4.172 1.895 ( -0.000 -1.572 -2.087) 2.613 2.157 ( -0.000 -0.275 2.440) 2.455 2.179 ( -0.000 -0.611 -2.929) 2.992 2.308 ( 0.000 0.216 -5.596) 5.601 2.337 ( 0.000 0.034 -2.160) 2.161 2.362 ( -0.000 -0.233 -3.886) 3.893 2.826 ( -0.000 -0.501 10.764) 10.775 3.290 ( 0.000 0.288 -5.941) 5.948 3.738 ( 0.000 0.034 0.178) 0.181 3.752 ( 0.000 0.043 -0.254) 0.258 3.805 ( 0.000 0.033 1.087) 1.088 3.878 ( 0.000 0.042 -0.816) 0.817 4.343 ( 0.000 0.075 1.463) 1.465 4.525 ( -0.000 -0.201 2.066) 2.076 4.549 ( -0.000 -0.152 3.595) 3.598 4.569 ( 0.000 0.024 0.338) 0.339 4.605 ( 0.000 0.021 -0.564) 0.564 4.872 ( 0.000 0.013 1.767) 1.767 4.994 ( 0.000 0.628 -1.078) 1.247 5.048 ( -0.000 -0.219 -4.939) 4.944 5.169 ( -0.000 -1.530 15.405) 15.480 5.560 ( -0.000 -0.252 4.681) 4.687 5.980 ( 0.000 0.152 6.566) 6.568 6.558 ( 0.000 0.077 -12.596) 12.597 6.933 ( -0.000 -0.202 5.540) 5.544 6.961 ( 0.000 0.106 1.063) 1.068 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 0.000 0.000 11.849) 11.849 0.604 ( 0.000 0.000 -9.802) 9.802 0.716 ( 0.000 0.000 17.551) 17.551 1.011 ( 0.000 0.000 -14.243) 14.243 1.187 ( 0.000 0.000 11.674) 11.674 1.312 ( 0.000 0.000 -4.160) 4.160 1.583 ( 0.000 0.000 2.013) 2.013 1.610 ( 0.000 0.000 -1.068) 1.068 1.662 ( 0.000 0.000 19.587) 19.587 1.973 ( 0.000 0.000 6.195) 6.195 2.021 ( 0.000 0.000 -13.403) 13.403 2.089 ( 0.000 0.000 -7.421) 7.421 2.233 ( 0.000 0.000 1.263) 1.263 2.239 ( 0.000 0.000 2.398) 2.398 2.275 ( 0.000 0.000 -3.667) 3.667 2.287 ( 0.000 0.000 -2.646) 2.646 2.977 ( 0.000 0.000 2.644) 2.644 3.066 ( 0.000 0.000 -7.231) 7.231 3.737 ( 0.000 0.000 0.271) 0.271 3.742 ( 0.000 0.000 -0.199) 0.199 3.824 ( 0.000 0.000 1.498) 1.498 3.851 ( 0.000 0.000 -1.333) 1.333 4.366 ( 0.000 0.000 2.589) 2.589 4.428 ( 0.000 0.000 -4.111) 4.111 4.575 ( 0.000 0.000 0.678) 0.678 4.589 ( 0.000 0.000 -0.802) 0.802 4.856 ( 0.000 0.000 4.726) 4.726 4.886 ( 0.000 0.000 1.174) 1.174 4.946 ( 0.000 0.000 -0.231) 0.231 4.988 ( 0.000 0.000 -4.581) 4.581 5.667 ( 0.000 0.000 5.931) 5.931 5.771 ( 0.000 0.000 -5.061) 5.061 6.089 ( 0.000 0.000 8.463) 8.463 6.263 ( 0.000 0.000 -10.101) 10.101 7.018 ( 0.000 0.000 4.613) 4.613 7.089 ( 0.000 0.000 -3.076) 3.076 ======================= Grid point 351 (100/147) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 11.379 -1.970 8.578) 14.385 0.663 ( 6.790 -0.969 -3.445) 7.675 0.837 ( 10.003 -1.806 9.013) 13.585 1.047 ( 3.016 -0.783 -11.109) 11.538 1.274 ( 8.165 -0.759 7.474) 11.095 1.354 ( 4.521 -0.123 -2.859) 5.351 1.645 ( 3.821 1.087 3.424) 5.245 1.650 ( 5.791 0.500 0.568) 5.841 1.696 ( 4.982 0.154 16.290) 17.036 1.954 ( -1.128 1.468 6.001) 6.280 2.026 ( 1.194 -0.150 -10.086) 10.157 2.065 ( -1.933 0.588 -5.243) 5.619 2.165 ( -3.608 -0.112 1.036) 3.755 2.224 ( -0.485 0.076 -6.603) 6.622 2.365 ( 7.797 -0.116 1.963) 8.041 2.410 ( 9.313 0.088 -2.666) 9.688 2.904 ( -5.279 -0.354 5.105) 7.352 3.019 ( -4.109 -0.740 -7.914) 8.948 3.817 ( 7.076 -0.073 0.752) 7.116 3.830 ( 4.693 -0.077 -0.159) 4.696 3.905 ( 5.667 0.102 -1.012) 5.758 3.915 ( 10.142 -0.097 -3.379) 10.691 4.359 ( -0.777 0.036 2.232) 2.364 4.409 ( -2.121 0.107 -3.062) 3.727 4.591 ( 1.145 -0.035 0.591) 1.289 4.601 ( 0.888 -0.089 -0.374) 0.968 4.853 ( -0.062 1.182 2.507) 2.773 4.874 ( -1.546 -0.961 0.619) 1.922 4.937 ( -0.522 0.400 0.201) 0.688 4.975 ( -0.904 -0.228 -3.684) 3.800 5.654 ( -1.048 0.945 5.888) 6.055 5.754 ( -1.198 2.155 -4.618) 5.234 6.063 ( -2.739 -0.333 8.702) 9.129 6.237 ( -2.995 -0.678 -9.907) 10.372 6.993 ( -2.322 0.360 3.472) 4.193 7.032 ( -4.898 0.791 -0.353) 4.974 ======================= Grid point 352 (101/147) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 14.758 0.325 4.988) 15.581 0.838 ( 10.110 -0.458 0.090) 10.121 1.048 ( 10.831 -1.366 1.106) 10.973 1.107 ( 2.928 -0.837 -4.246) 5.225 1.439 ( 7.801 -1.376 1.286) 8.025 1.479 ( 7.515 -2.850 -2.308) 8.362 1.704 ( 4.007 1.484 7.148) 8.328 1.772 ( 6.016 3.379 -3.366) 7.677 1.857 ( 10.523 3.508 13.582) 17.536 1.931 ( -0.147 1.667 4.493) 4.795 2.028 ( 0.308 -2.603 -0.612) 2.691 2.095 ( 3.706 -0.106 -1.974) 4.200 2.126 ( 0.362 -1.678 0.095) 1.719 2.250 ( 4.948 0.191 -11.491) 12.512 2.528 ( 8.599 -0.068 3.570) 9.311 2.598 ( 9.471 0.196 -3.738) 10.184 2.836 ( -1.439 -0.656 5.338) 5.567 2.958 ( -2.167 -1.200 -8.293) 8.655 3.918 ( 4.678 -0.340 1.943) 5.077 3.954 ( 6.862 -0.442 -1.733) 7.091 4.040 ( 7.979 -0.044 1.148) 8.061 4.104 ( 8.662 -0.058 -5.824) 10.438 4.334 ( -1.886 0.177 0.629) 1.996 4.345 ( -4.530 0.119 -0.676) 4.582 4.592 ( -1.220 -0.023 1.070) 1.623 4.611 ( 0.191 0.018 -0.873) 0.894 4.826 ( -2.408 0.390 1.321) 2.774 4.852 ( -0.876 0.065 -1.519) 1.755 4.940 ( 1.272 0.138 1.409) 1.903 4.979 ( 1.628 0.064 -2.746) 3.193 5.624 ( -1.524 1.260 5.505) 5.849 5.707 ( -2.388 2.900 -3.050) 4.839 5.994 ( -4.651 -0.432 8.069) 9.324 6.158 ( -5.897 -0.988 -9.125) 10.910 6.933 ( -4.745 0.782 2.197) 5.287 6.940 ( -2.865 0.601 1.226) 3.174 ======================= Grid point 353 (102/147) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 5.945 0.020 1.985) 6.267 1.027 ( 9.517 1.441 -0.539) 9.640 1.166 ( 6.817 1.577 4.086) 8.103 1.265 ( 11.039 0.647 -5.191) 12.216 1.595 ( 8.273 -3.276 2.777) 9.322 1.638 ( 7.433 -3.621 -1.406) 8.387 1.757 ( 2.145 5.573 2.210) 6.367 1.800 ( -0.404 5.849 -2.057) 6.213 1.913 ( 0.438 -0.282 3.119) 3.163 1.932 ( 0.654 -1.800 0.278) 1.935 2.113 ( 1.461 -0.456 4.756) 4.996 2.178 ( 2.215 0.207 -1.902) 2.927 2.257 ( 17.123 -3.611 9.197) 19.769 2.452 ( 14.702 -0.900 -8.428) 16.970 2.645 ( 3.262 0.102 1.552) 3.614 2.672 ( -1.407 0.273 -1.018) 1.758 2.910 ( 8.139 -0.428 0.993) 8.210 2.972 ( 3.165 -1.145 -6.195) 7.051 3.989 ( 1.959 -0.475 3.375) 3.931 4.062 ( 3.692 -0.646 -4.330) 5.727 4.163 ( 4.104 -0.172 2.278) 4.697 4.232 ( 4.110 -0.130 -5.156) 6.594 4.257 ( -2.854 0.017 1.786) 3.367 4.294 ( -1.401 0.193 -2.112) 2.542 4.566 ( -0.605 0.127 3.293) 3.351 4.616 ( 0.603 0.352 -2.074) 2.188 4.781 ( -1.925 0.277 2.298) 3.010 4.833 ( -0.984 0.325 -3.032) 3.204 4.981 ( 2.810 0.128 2.157) 3.545 5.028 ( 3.254 0.232 -2.917) 4.376 5.587 ( -1.691 1.251 4.589) 5.048 5.637 ( -3.656 2.399 0.099) 4.374 5.899 ( -5.456 -0.112 5.382) 7.665 6.031 ( -7.958 -0.971 -7.726) 11.134 6.852 ( -3.485 0.616 3.193) 4.767 6.889 ( -2.132 0.817 -0.805) 2.421 ======================= Grid point 354 (103/147) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 1.006 0.073 1.945) 2.191 1.095 ( 0.494 -0.287 -2.028) 2.106 1.353 ( 11.699 4.416 5.315) 13.588 1.457 ( 9.965 3.150 -5.325) 11.729 1.709 ( -2.001 5.273 0.062) 5.640 1.710 ( -2.667 6.322 -0.003) 6.861 1.781 ( 9.258 -3.602 3.383) 10.495 1.817 ( 5.798 -3.739 -0.597) 6.925 1.950 ( 2.610 -2.748 2.631) 4.614 1.978 ( 2.397 -2.816 -0.941) 3.816 2.146 ( 1.735 -0.979 4.523) 4.943 2.205 ( 0.750 0.096 -0.899) 1.175 2.562 ( 5.067 -0.475 6.766) 8.466 2.638 ( 1.334 -0.293 -1.224) 1.834 2.645 ( 5.384 -1.003 0.817) 5.537 2.758 ( 13.574 -0.400 -8.134) 15.829 3.051 ( 5.334 -0.496 -0.921) 5.435 3.056 ( 4.374 -0.714 -1.525) 4.687 3.972 ( -3.620 -0.235 3.907) 5.331 4.058 ( -4.180 -0.333 -5.308) 6.764 4.206 ( 2.225 -0.041 0.893) 2.398 4.212 ( 0.198 0.014 0.353) 0.405 4.318 ( 3.214 0.244 -0.532) 3.267 4.336 ( 5.293 0.034 -2.688) 5.936 4.580 ( 1.700 0.152 4.070) 4.413 4.634 ( 1.503 0.226 -1.938) 2.463 4.756 ( -0.456 0.415 2.344) 2.424 4.816 ( -0.596 0.447 -3.630) 3.705 5.029 ( 2.030 0.133 2.710) 3.389 5.085 ( 2.742 0.296 -3.445) 4.413 5.542 ( -3.542 1.604 4.827) 6.199 5.559 ( -2.489 0.764 2.857) 3.866 5.799 ( -5.014 0.344 1.240) 5.177 5.879 ( -8.518 -0.777 -5.933) 10.410 6.796 ( -2.280 0.479 3.777) 4.438 6.853 ( -1.352 0.835 -2.250) 2.755 ======================= Grid point 355 (104/147) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.607 -0.268 1.523) 1.661 1.086 ( -1.326 -0.533 -1.475) 2.054 1.487 ( 3.417 4.973 4.990) 7.830 1.578 ( 2.823 3.455 -4.217) 6.139 1.649 ( 0.959 3.833 0.253) 3.959 1.656 ( 0.971 3.037 -0.435) 3.218 1.918 ( 2.492 -1.427 1.471) 3.227 1.938 ( 3.676 -2.437 -0.277) 4.419 2.030 ( 6.139 -1.988 4.508) 7.871 2.062 ( 5.068 -3.433 0.326) 6.130 2.189 ( 2.115 -0.803 3.832) 4.450 2.213 ( 0.526 -1.051 1.452) 1.868 2.487 ( -6.069 0.608 1.615) 6.309 2.615 ( -1.629 0.249 -9.332) 9.477 2.882 ( 10.726 -0.642 4.473) 11.639 2.974 ( 7.703 -0.100 -5.497) 9.463 3.112 ( 2.169 -0.603 0.700) 2.358 3.122 ( 1.961 -0.898 -0.330) 2.182 3.896 ( -3.731 0.023 3.336) 5.005 3.969 ( -4.337 -0.086 -4.508) 6.256 4.230 ( 1.231 0.177 1.374) 1.854 4.255 ( 2.569 0.294 -1.017) 2.778 4.385 ( 4.064 0.287 2.254) 4.656 4.443 ( 6.115 0.179 -3.875) 7.242 4.603 ( 0.147 0.003 4.609) 4.611 4.667 ( 1.700 0.025 -2.251) 2.821 4.762 ( 1.213 0.336 1.162) 1.713 4.803 ( -0.574 0.374 -2.995) 3.073 5.050 ( 0.327 0.109 3.450) 3.467 5.125 ( 1.710 0.284 -4.713) 5.022 5.457 ( -4.093 0.677 8.874) 9.796 5.531 ( -0.643 0.440 1.011) 1.277 5.712 ( -4.528 0.296 -2.130) 5.012 5.732 ( -6.625 -0.342 -3.931) 7.711 6.761 ( -1.299 0.315 4.165) 4.374 6.829 ( -0.781 0.625 -3.104) 3.261 ======================= Grid point 356 (105/147) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -0.443 -0.311 0.858) 1.015 1.063 ( -0.932 -0.183 -0.862) 1.283 1.466 ( -1.168 1.987 5.236) 5.721 1.557 ( -0.983 1.325 -4.256) 4.565 1.692 ( 2.590 1.529 0.616) 3.070 1.699 ( 2.148 1.144 0.121) 2.437 1.938 ( 0.037 -0.314 1.051) 1.098 1.959 ( -0.531 -0.755 -1.102) 1.438 2.141 ( 2.156 -0.718 5.751) 6.184 2.189 ( 6.692 -1.890 3.869) 7.958 2.221 ( 1.492 -1.015 1.395) 2.281 2.249 ( 2.173 -0.008 4.422) 4.927 2.361 ( -6.779 0.487 -0.075) 6.797 2.587 ( -0.951 0.266 -14.183) 14.218 3.011 ( 3.168 0.399 1.115) 3.382 3.034 ( 0.238 0.040 -1.511) 1.530 3.142 ( 0.683 -0.795 1.907) 2.176 3.170 ( 2.121 -0.323 -0.929) 2.338 3.847 ( -1.323 0.047 2.984) 3.264 3.914 ( -1.505 -0.015 -4.129) 4.395 4.246 ( 0.465 0.110 1.942) 2.000 4.287 ( 0.910 0.210 -2.401) 2.576 4.467 ( 4.249 0.250 4.145) 5.941 4.551 ( 4.727 0.220 -4.895) 6.808 4.576 ( -2.607 -0.153 5.385) 5.985 4.668 ( -1.758 -0.156 -4.293) 4.642 4.788 ( 1.181 0.118 0.557) 1.311 4.804 ( 0.752 0.166 -1.073) 1.320 5.045 ( -0.490 0.040 4.411) 4.438 5.147 ( 0.681 0.130 -6.579) 6.616 5.398 ( -1.726 0.153 11.161) 11.295 5.534 ( 1.120 0.222 -2.096) 2.387 5.609 ( -4.494 -0.254 0.587) 4.540 5.670 ( -1.394 0.192 -4.766) 4.969 6.743 ( -0.427 0.111 4.346) 4.368 6.817 ( -0.267 0.232 -3.479) 3.497 ======================= Grid point 364 (106/147) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 15.466 -0.000 4.740) 16.176 0.835 ( 10.343 -0.000 0.572) 10.359 1.041 ( 11.857 -0.000 1.174) 11.915 1.103 ( 2.842 -0.000 -4.579) 5.390 1.432 ( 7.740 -0.000 0.747) 7.776 1.464 ( 6.996 -0.000 -2.094) 7.303 1.711 ( 4.227 -0.000 8.622) 9.602 1.789 ( 6.618 -0.000 -3.555) 7.512 1.876 ( 11.716 -0.000 13.720) 18.042 1.943 ( 1.370 -0.000 5.978) 6.133 2.009 ( -3.891 0.000 -2.547) 4.650 2.098 ( 5.877 -0.000 -4.521) 7.415 2.115 ( -1.415 0.000 2.035) 2.479 2.250 ( 4.717 -0.000 -11.523) 12.452 2.528 ( 8.639 -0.000 3.689) 9.394 2.599 ( 9.490 -0.000 -3.772) 10.212 2.833 ( -1.366 0.000 5.142) 5.321 2.952 ( -2.084 0.000 -8.243) 8.502 3.916 ( 4.649 -0.000 1.903) 5.024 3.952 ( 6.811 -0.000 -1.737) 7.029 4.040 ( 7.949 -0.000 1.147) 8.031 4.104 ( 8.629 -0.000 -5.842) 10.421 4.335 ( -1.878 0.000 0.638) 1.983 4.346 ( -4.580 0.000 -0.642) 4.625 4.592 ( -1.214 0.000 1.033) 1.594 4.611 ( 0.313 -0.000 -0.935) 0.986 4.828 ( -2.695 0.000 1.308) 2.996 4.853 ( -0.638 0.000 -1.402) 1.540 4.940 ( 1.223 -0.000 1.359) 1.828 4.980 ( 1.694 -0.000 -2.778) 3.254 5.630 ( -1.655 0.000 5.709) 5.944 5.722 ( -2.723 0.000 -3.822) 4.693 5.992 ( -4.564 0.000 7.908) 9.131 6.153 ( -5.819 0.000 -8.899) 10.633 6.937 ( -4.922 0.000 2.207) 5.394 6.943 ( -2.827 0.000 1.290) 3.108 ======================= Grid point 365 (107/147) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 5.983 -0.060 2.407) 6.450 1.037 ( 8.611 0.583 -1.426) 8.748 1.179 ( 8.161 0.829 4.053) 9.150 1.270 ( 12.401 0.277 -4.421) 13.168 1.573 ( 7.839 -1.190 1.545) 8.078 1.610 ( 7.907 -1.681 -1.742) 8.269 1.795 ( 4.544 2.088 5.007) 7.077 1.855 ( -0.962 5.142 -0.420) 5.248 1.898 ( 0.925 -3.243 -0.759) 3.457 1.920 ( -4.662 -0.194 -0.916) 4.755 2.109 ( 1.266 -0.270 6.001) 6.139 2.179 ( 2.488 0.066 -2.011) 3.200 2.231 ( 18.634 -1.489 10.440) 21.411 2.446 ( 14.595 -0.333 -8.932) 17.115 2.646 ( 3.331 0.029 1.660) 3.722 2.674 ( -1.408 0.094 -1.026) 1.745 2.908 ( 8.282 -0.141 0.721) 8.314 2.964 ( 3.380 -0.431 -6.029) 6.925 3.986 ( 2.024 -0.172 3.303) 3.878 4.058 ( 3.780 -0.229 -4.285) 5.719 4.162 ( 4.102 -0.063 2.262) 4.685 4.231 ( 4.138 -0.049 -5.201) 6.646 4.257 ( -2.866 0.005 1.836) 3.404 4.295 ( -1.418 0.069 -2.177) 2.599 4.567 ( -0.548 0.052 3.377) 3.422 4.618 ( 0.589 0.125 -2.145) 2.228 4.783 ( -1.892 0.104 2.335) 3.007 4.835 ( -0.966 0.117 -3.009) 3.162 4.982 ( 2.799 0.040 2.200) 3.561 5.030 ( 3.263 0.070 -2.951) 4.400 5.596 ( -1.838 0.447 4.870) 5.225 5.654 ( -4.250 0.886 -0.331) 4.354 5.899 ( -5.249 -0.015 4.754) 7.082 6.024 ( -7.833 -0.386 -7.443) 10.812 6.856 ( -3.592 0.237 3.343) 4.913 6.895 ( -2.169 0.296 -0.817) 2.336 ======================= Grid point 366 (108/147) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.978 0.035 1.786) 2.036 1.092 ( 0.184 -0.199 -1.876) 1.896 1.391 ( 12.142 3.071 4.747) 13.394 1.484 ( 10.392 2.133 -4.633) 11.577 1.741 ( 5.527 -0.657 2.294) 6.020 1.755 ( 4.149 1.123 0.156) 4.301 1.774 ( -3.431 5.056 0.323) 6.119 1.789 ( 2.479 -1.478 -0.481) 2.926 1.918 ( 3.135 -3.594 2.587) 5.426 1.954 ( 2.518 -1.982 -1.913) 3.732 2.138 ( 1.682 -0.609 5.653) 5.929 2.205 ( 0.440 0.028 -0.834) 0.944 2.557 ( 8.195 -0.428 8.096) 11.528 2.635 ( 2.755 -0.188 -0.025) 2.762 2.638 ( 2.046 -0.445 -0.678) 2.201 2.756 ( 13.335 -0.182 -8.814) 15.986 3.047 ( 4.972 -0.230 -1.176) 5.114 3.050 ( 4.859 -0.457 -1.234) 5.034 3.970 ( -3.465 -0.136 3.864) 5.192 4.056 ( -4.005 -0.189 -5.269) 6.621 4.206 ( 2.389 -0.024 0.908) 2.556 4.212 ( 0.230 0.006 0.342) 0.412 4.320 ( 3.224 0.139 -0.619) 3.286 4.336 ( 5.357 0.016 -2.630) 5.967 4.581 ( 1.652 0.097 4.117) 4.437 4.636 ( 1.407 0.130 -1.955) 2.413 4.760 ( -0.469 0.232 2.353) 2.411 4.820 ( -0.622 0.235 -3.612) 3.673 5.030 ( 2.023 0.074 2.798) 3.453 5.088 ( 2.739 0.159 -3.486) 4.436 5.555 ( -3.557 1.107 4.452) 5.805 5.564 ( -3.228 0.218 3.557) 4.808 5.802 ( -4.844 0.294 0.275) 4.861 5.872 ( -8.405 -0.525 -5.646) 10.139 6.800 ( -2.370 0.288 3.997) 4.656 6.859 ( -1.453 0.467 -2.329) 2.784 ======================= Grid point 367 (109/147) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.755 -0.153 1.402) 1.599 1.081 ( -1.210 -0.348 -1.358) 1.852 1.532 ( 2.864 3.971 4.296) 6.514 1.609 ( 2.442 2.700 -3.383) 4.970 1.682 ( -0.622 2.643 0.104) 2.717 1.685 ( -0.512 2.976 -0.226) 3.028 1.905 ( 3.621 -1.271 0.886) 3.939 1.915 ( 4.892 -2.140 0.019) 5.340 2.010 ( 6.156 -2.152 3.190) 7.259 2.031 ( 5.485 -2.721 0.127) 6.124 2.183 ( 2.798 -0.409 4.661) 5.451 2.204 ( -0.091 -0.666 2.041) 2.148 2.492 ( -6.115 0.425 1.754) 6.375 2.617 ( -1.509 0.144 -8.903) 9.031 2.877 ( 11.421 -0.483 4.615) 12.328 2.973 ( 8.014 -0.072 -5.833) 9.912 3.107 ( 2.033 -0.311 0.539) 2.126 3.114 ( 1.906 -0.725 -0.156) 2.046 3.896 ( -3.667 0.013 3.314) 4.943 3.969 ( -4.276 -0.068 -4.422) 6.151 4.231 ( 1.258 0.127 1.419) 1.900 4.257 ( 2.659 0.207 -1.059) 2.869 4.387 ( 4.051 0.198 2.209) 4.618 4.444 ( 6.166 0.125 -3.817) 7.253 4.603 ( 0.062 0.016 4.620) 4.620 4.667 ( 1.596 0.020 -2.261) 2.767 4.765 ( 1.123 0.240 1.157) 1.630 4.806 ( -0.661 0.240 -3.006) 3.087 5.051 ( 0.301 0.081 3.545) 3.559 5.128 ( 1.667 0.201 -4.772) 5.058 5.463 ( -4.470 0.476 8.925) 9.993 5.535 ( -0.772 0.304 1.322) 1.561 5.715 ( -5.291 0.369 -2.684) 5.945 5.729 ( -5.786 -0.390 -3.899) 6.988 6.763 ( -1.397 0.235 4.359) 4.583 6.835 ( -0.950 0.438 -3.189) 3.357 ======================= Grid point 368 (110/147) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -0.203 -0.193 0.876) 0.920 1.061 ( -0.794 -0.203 -0.895) 1.214 1.487 ( -2.868 2.265 4.880) 6.097 1.571 ( -2.167 1.443 -3.807) 4.612 1.703 ( 0.859 0.646 0.514) 1.191 1.708 ( 0.951 0.680 0.154) 1.179 1.935 ( 0.364 -0.278 0.758) 0.885 1.951 ( 0.189 -0.791 -0.904) 1.217 2.134 ( 3.227 -0.687 5.228) 6.183 2.171 ( 7.425 -1.651 3.268) 8.278 2.214 ( 2.013 -0.560 1.795) 2.755 2.250 ( 3.153 0.142 4.626) 5.600 2.365 ( -6.962 0.377 0.449) 6.986 2.589 ( -1.119 0.217 -13.918) 13.965 3.013 ( 2.949 0.048 0.864) 3.073 3.035 ( 0.183 0.220 -1.591) 1.617 3.134 ( 1.260 -0.746 2.320) 2.744 3.168 ( 2.477 -0.165 -1.112) 2.720 3.848 ( -1.361 0.033 2.973) 3.269 3.914 ( -1.491 -0.022 -4.075) 4.339 4.247 ( 0.372 0.095 1.978) 2.015 4.289 ( 0.738 0.182 -2.464) 2.578 4.469 ( 4.162 0.207 4.166) 5.893 4.553 ( 4.657 0.194 -4.868) 6.739 4.574 ( -2.624 -0.140 5.387) 5.994 4.667 ( -1.753 -0.136 -4.291) 4.637 4.790 ( 1.064 0.101 0.558) 1.206 4.805 ( 0.609 0.131 -1.114) 1.277 5.045 ( -0.530 0.034 4.454) 4.486 5.148 ( 0.564 0.106 -6.624) 6.649 5.399 ( -1.896 0.122 11.195) 11.355 5.536 ( 1.013 0.187 -2.038) 2.284 5.607 ( -4.377 -0.201 0.700) 4.437 5.671 ( -1.553 0.160 -4.987) 5.225 6.744 ( -0.537 0.094 4.426) 4.459 6.820 ( -0.489 0.191 -3.517) 3.556 ======================= Grid point 369 (111/147) ======================= q-point: (-0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.651 0.376 0.761) 1.070 1.064 ( 1.212 0.099 -0.746) 1.426 1.450 ( -0.730 -1.222 5.530) 5.710 1.546 ( -0.286 -0.893 -4.465) 4.562 1.675 ( -3.942 -1.857 0.760) 4.423 1.686 ( -3.345 -1.549 -0.220) 3.693 1.941 ( 0.322 0.272 1.311) 1.377 1.965 ( 1.147 0.578 -1.236) 1.783 2.147 ( -1.160 0.497 6.219) 6.346 2.205 ( -6.988 1.379 5.810) 9.192 2.233 ( -0.719 1.413 0.777) 1.766 2.251 ( -0.522 0.391 3.255) 3.320 2.356 ( 6.555 -0.531 -0.622) 6.606 2.584 ( 0.742 -0.253 -14.456) 14.478 3.006 ( -3.109 -0.526 1.420) 3.458 3.033 ( -0.494 -0.032 -1.769) 1.837 3.149 ( -0.103 0.694 1.747) 1.883 3.174 ( -1.775 0.406 -0.742) 1.967 3.847 ( 1.284 -0.051 2.993) 3.257 3.914 ( 1.520 0.004 -4.185) 4.452 4.245 ( -0.564 -0.100 1.907) 1.991 4.285 ( -1.095 -0.188 -2.337) 2.587 4.464 ( -4.346 -0.236 4.121) 5.994 4.549 ( -4.838 -0.199 -4.989) 6.952 4.577 ( 2.637 0.135 5.443) 6.050 4.670 ( 1.769 0.140 -4.292) 4.645 4.787 ( -1.302 -0.107 0.549) 1.417 4.802 ( -0.922 -0.164 -1.025) 1.389 5.045 ( 0.450 -0.036 4.366) 4.389 5.146 ( -0.804 -0.124 -6.528) 6.579 5.396 ( 1.543 -0.151 11.126) 11.233 5.532 ( -1.231 -0.204 -2.166) 2.499 5.612 ( 4.633 0.252 0.464) 4.663 5.668 ( 1.208 -0.182 -4.520) 4.682 6.742 ( 0.316 -0.102 4.258) 4.271 6.815 ( 0.029 -0.220 -3.437) 3.445 ======================= Grid point 370 (112/147) ======================= q-point: (-0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.447 0.356 1.676) 1.771 1.091 ( 1.427 0.640 -1.603) 2.240 1.439 ( -4.130 -4.789 5.739) 8.540 1.544 ( -3.425 -3.331 -5.075) 6.970 1.612 ( -2.140 -3.691 0.650) 4.316 1.627 ( -2.061 -2.882 -0.877) 3.650 1.932 ( -1.640 1.265 2.002) 2.881 1.961 ( -2.298 2.147 -0.760) 3.236 2.047 ( -6.717 1.398 6.442) 9.411 2.093 ( -4.214 2.941 0.504) 5.163 2.199 ( -1.797 1.212 2.850) 3.580 2.224 ( -1.219 1.257 0.676) 1.876 2.480 ( 6.037 -0.666 1.429) 6.239 2.612 ( 1.748 -0.322 -9.846) 10.005 2.889 ( -9.833 0.644 4.303) 10.753 2.975 ( -7.311 0.097 -5.117) 8.924 3.119 ( -2.322 0.747 0.789) 2.564 3.131 ( -2.049 0.896 -0.423) 2.276 3.896 ( 3.806 -0.032 3.361) 5.078 3.970 ( 4.413 0.079 -4.609) 6.382 4.228 ( -1.201 -0.187 1.318) 1.793 4.252 ( -2.470 -0.315 -0.961) 2.669 4.382 ( -4.077 -0.314 2.306) 4.694 4.441 ( -6.056 -0.193 -3.952) 7.234 4.603 ( -0.238 0.021 4.596) 4.603 4.667 ( -1.822 -0.021 -2.225) 2.876 4.758 ( -1.327 -0.353 1.145) 1.788 4.799 ( 0.455 -0.448 -2.966) 3.034 5.049 ( -0.358 -0.108 3.333) 3.353 5.122 ( -1.766 -0.302 -4.639) 4.973 5.450 ( 3.647 -0.727 8.828) 9.579 5.527 ( 0.467 -0.478 0.650) 0.932 5.709 ( 4.035 -0.198 -1.563) 4.332 5.735 ( 7.218 0.269 -3.898) 8.208 6.757 ( 1.195 -0.312 3.916) 4.106 6.823 ( 0.571 -0.675 -2.988) 3.116 ======================= Grid point 371 (113/147) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -1.217 -0.156 2.126) 2.455 1.097 ( -0.981 0.232 -2.223) 2.441 1.310 ( -10.742 -4.246 6.006) 13.019 1.426 ( -9.221 -3.113 -5.941) 11.403 1.645 ( 1.497 -6.462 0.431) 6.647 1.658 ( 1.502 -5.261 -0.806) 5.530 1.816 ( -8.785 3.416 4.371) 10.390 1.856 ( -5.484 4.131 -0.128) 6.867 1.970 ( -2.437 1.389 2.974) 4.089 2.007 ( -3.073 3.121 -0.803) 4.453 2.156 ( -1.976 1.024 3.334) 4.008 2.203 ( -1.229 -0.250 -0.919) 1.555 2.565 ( -1.460 0.188 5.034) 5.245 2.640 ( 0.012 0.181 -2.505) 2.511 2.658 ( -8.826 1.594 2.314) 9.262 2.763 ( -13.782 0.607 -7.090) 15.511 3.057 ( -5.574 0.636 -0.738) 5.659 3.063 ( -3.977 0.811 -1.769) 4.427 3.974 ( 3.837 0.275 3.967) 5.526 4.062 ( 4.435 0.400 -5.368) 6.974 4.206 ( -1.998 0.049 0.866) 2.178 4.212 ( -0.143 -0.027 0.369) 0.397 4.316 ( -3.192 -0.293 -0.412) 3.232 4.335 ( -5.209 -0.048 -2.767) 5.898 4.578 ( -1.765 -0.146 3.995) 4.369 4.631 ( -1.643 -0.265 -1.904) 2.529 4.752 ( 0.439 -0.506 2.318) 2.412 4.811 ( 0.561 -0.601 -3.629) 3.721 5.027 ( -2.050 -0.162 2.576) 3.296 5.082 ( -2.766 -0.380 -3.382) 4.386 5.525 ( 3.189 -1.844 5.173) 6.351 5.550 ( 1.797 -1.031 2.187) 3.013 5.796 ( 5.223 -0.231 2.334) 5.725 5.887 ( 8.697 0.779 -6.200) 10.709 6.791 ( 2.171 -0.522 3.438) 4.100 6.844 ( 1.209 -1.027 -2.112) 2.642 ======================= Grid point 372 (114/147) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -6.839 -1.187 1.635) 7.131 1.014 ( -9.251 -0.756 0.061) 9.282 1.152 ( -5.226 -1.149 4.373) 6.910 1.260 ( -8.997 -0.372 -5.821) 10.722 1.630 ( -8.472 3.210 4.831) 10.267 1.667 ( -4.782 1.070 0.188) 4.904 1.694 ( -0.796 -6.756 0.166) 6.804 1.753 ( -2.417 -2.525 -4.388) 5.610 1.916 ( -2.948 0.621 5.181) 5.994 1.945 ( -2.557 0.757 0.746) 2.770 2.116 ( -1.967 0.267 3.714) 4.211 2.175 ( -1.775 -0.356 -1.699) 2.483 2.296 ( -15.660 4.254 7.563) 17.904 2.463 ( -14.879 1.223 -7.565) 16.736 2.644 ( -3.156 -0.198 1.358) 3.441 2.669 ( 1.374 -0.429 -1.013) 1.760 2.916 ( -7.892 0.666 1.435) 8.049 2.985 ( -2.789 1.522 -6.450) 7.190 3.995 ( -1.843 0.666 3.505) 4.015 4.070 ( -3.525 0.942 -4.429) 5.739 4.165 ( -4.115 0.237 2.303) 4.722 4.234 ( -4.083 0.168 -5.073) 6.514 4.257 ( 2.835 -0.034 1.695) 3.303 4.292 ( 1.374 -0.280 -1.999) 2.442 4.565 ( 0.716 -0.130 3.128) 3.211 4.612 ( -0.634 -0.514 -1.923) 2.090 4.778 ( 2.010 -0.362 2.231) 3.025 4.829 ( 1.036 -0.474 -3.046) 3.252 4.979 ( -2.853 -0.223 2.053) 3.522 5.025 ( -3.285 -0.425 -2.850) 4.370 5.572 ( 1.424 -1.889 4.232) 4.849 5.609 ( 2.719 -3.134 0.852) 4.236 5.901 ( 5.770 0.261 6.235) 8.499 6.042 ( 8.159 1.192 -8.107) 11.564 6.845 ( 3.326 -0.769 2.898) 4.478 6.879 ( 2.081 -1.150 -0.753) 2.494 ======================= Grid point 373 (115/147) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -12.807 0.467 5.124) 13.802 0.844 ( -9.422 0.798 -0.845) 9.493 1.064 ( -7.979 1.700 1.335) 8.267 1.120 ( -3.421 1.871 -3.538) 5.266 1.459 ( -8.265 2.761 2.557) 9.081 1.516 ( -8.304 4.644 -2.600) 9.864 1.679 ( -3.316 -3.871 3.258) 6.049 1.725 ( -4.972 -6.158 -2.588) 8.327 1.822 ( -8.498 -2.964 13.887) 16.548 1.914 ( -0.758 -1.837 3.004) 3.602 2.044 ( -4.384 0.570 1.699) 4.736 2.107 ( -2.809 2.369 -0.614) 3.726 2.142 ( -0.822 1.602 -0.470) 1.860 2.247 ( -5.649 -0.255 -11.383) 12.710 2.529 ( -8.506 0.049 3.260) 9.109 2.595 ( -9.416 -0.388 -3.649) 10.106 2.845 ( 1.620 1.163 5.847) 6.178 2.974 ( 2.379 2.015 -8.417) 8.976 3.922 ( -4.756 0.606 2.056) 5.216 3.960 ( -7.009 0.809 -1.724) 7.263 4.041 ( -8.056 0.069 1.125) 8.135 4.104 ( -8.774 0.027 -5.757) 10.494 4.332 ( 1.913 -0.290 0.599) 2.025 4.344 ( 4.404 -0.222 -0.763) 4.475 4.593 ( 1.246 0.073 1.179) 1.717 4.611 ( 0.146 -0.016 -0.693) 0.709 4.821 ( 1.814 -0.525 1.348) 2.320 4.851 ( 1.343 -0.158 -1.769) 2.226 4.938 ( -1.382 -0.311 1.476) 2.046 4.978 ( -1.507 -0.323 -2.666) 3.079 5.606 ( 1.102 -2.397 5.103) 5.744 5.670 ( 1.690 -4.505 -1.225) 4.965 6.000 ( 4.858 0.743 8.439) 9.766 6.170 ( 6.066 1.508 -9.608) 11.463 6.923 ( 4.420 -1.177 2.128) 5.045 6.932 ( 2.885 -1.034 1.072) 3.247 ======================= Grid point 374 (116/147) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -8.615 5.438 7.600) 12.710 0.681 ( -5.943 2.625 -3.091) 7.195 0.870 ( -9.609 4.740 8.317) 13.564 1.062 ( -2.562 2.145 -10.098) 10.636 1.288 ( -8.157 2.177 6.759) 10.814 1.358 ( -5.582 0.608 -2.024) 5.968 1.627 ( -4.372 -2.593 1.943) 5.442 1.636 ( -4.794 -2.421 -0.342) 5.382 1.695 ( -4.132 -0.080 17.976) 18.445 1.929 ( 0.610 -3.524 3.302) 4.868 2.020 ( -0.477 -1.952 -4.591) 5.012 2.062 ( 0.353 0.517 -7.874) 7.899 2.166 ( 3.140 0.168 0.776) 3.239 2.222 ( 0.634 -0.265 -6.410) 6.446 2.367 ( -7.728 0.220 1.620) 7.899 2.408 ( -9.317 -0.260 -2.588) 9.674 2.911 ( 5.104 0.982 5.611) 7.649 3.032 ( 4.168 1.929 -7.995) 9.220 3.818 ( -7.195 0.197 0.773) 7.239 3.831 ( -4.861 0.213 -0.149) 4.868 3.903 ( -6.312 -0.206 -1.006) 6.395 3.917 ( -9.407 0.163 -3.230) 9.947 4.359 ( 0.860 -0.078 2.127) 2.296 4.407 ( 2.152 -0.271 -3.067) 3.756 4.591 ( -1.131 0.127 0.688) 1.330 4.602 ( -0.954 0.239 -0.362) 1.048 4.838 ( 0.028 -1.635 3.289) 3.673 4.885 ( 1.715 0.953 -0.676) 2.075 4.931 ( 0.187 -0.776 0.857) 1.171 4.978 ( 1.069 0.244 -3.514) 3.681 5.636 ( 0.677 -2.871 5.764) 6.475 5.717 ( 0.837 -4.979 -2.395) 5.588 6.069 ( 2.784 0.873 8.893) 9.360 6.249 ( 3.087 1.586 -10.459) 11.019 6.987 ( 2.304 -0.904 3.139) 3.997 7.018 ( 4.440 -1.867 0.109) 4.818 ======================= Grid point 375 (117/147) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 0.000 7.763 9.916) 12.594 0.619 ( 0.000 3.074 -8.929) 9.444 0.732 ( 0.000 3.325 17.048) 17.369 1.020 ( 0.000 1.995 -13.971) 14.113 1.194 ( 0.000 1.415 11.224) 11.312 1.309 ( -0.000 -0.581 -3.537) 3.584 1.577 ( -0.000 -1.128 1.888) 2.199 1.603 ( -0.000 -1.480 -1.001) 1.787 1.664 ( 0.000 0.280 19.454) 19.456 1.956 ( -0.000 -3.262 3.682) 4.919 2.022 ( -0.000 -0.195 -9.462) 9.464 2.081 ( -0.000 -1.288 -9.217) 9.307 2.230 ( -0.000 -0.621 1.492) 1.616 2.238 ( -0.000 -0.290 2.475) 2.492 2.278 ( 0.000 0.618 -3.869) 3.918 2.287 ( -0.000 -0.037 -2.703) 2.703 2.978 ( 0.000 0.190 3.152) 3.158 3.074 ( 0.000 1.523 -7.396) 7.552 3.737 ( 0.000 0.058 0.270) 0.276 3.742 ( 0.000 0.064 -0.203) 0.213 3.825 ( 0.000 0.065 1.498) 1.499 3.852 ( 0.000 0.071 -1.336) 1.338 4.366 ( 0.000 0.040 2.538) 2.538 4.428 ( -0.000 -0.118 -4.100) 4.102 4.575 ( 0.000 0.043 0.677) 0.678 4.589 ( 0.000 0.041 -0.802) 0.803 4.847 ( -0.000 -1.516 5.025) 5.249 4.894 ( 0.000 1.272 0.719) 1.461 4.940 ( -0.000 -1.012 0.037) 1.013 4.991 ( 0.000 0.452 -4.393) 4.416 5.656 ( -0.000 -2.331 5.917) 6.359 5.748 ( -0.000 -4.303 -3.529) 5.565 6.092 ( 0.000 0.658 8.618) 8.643 6.270 ( 0.000 1.329 -10.500) 10.583 7.014 ( -0.000 -0.704 4.365) 4.421 7.078 ( -0.000 -2.081 -2.418) 3.190 ======================= Grid point 378 (118/147) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.990 -0.000 1.720) 1.985 1.091 ( 0.075 -0.000 -1.817) 1.818 1.407 ( 12.251 -0.000 4.514) 13.056 1.495 ( 10.537 -0.000 -4.287) 11.375 1.731 ( 8.934 -0.000 2.465) 9.267 1.759 ( 8.326 -0.000 -0.763) 8.361 1.788 ( -4.612 0.000 1.046) 4.729 1.806 ( -6.307 0.000 -0.911) 6.373 1.895 ( 4.777 -0.000 3.100) 5.694 1.943 ( 2.877 -0.000 -2.684) 3.935 2.135 ( 1.696 -0.000 6.132) 6.362 2.205 ( 0.333 -0.000 -0.804) 0.870 2.555 ( 9.363 -0.000 8.559) 12.685 2.634 ( 3.570 -0.000 0.658) 3.630 2.636 ( 0.527 -0.000 -1.464) 1.556 2.755 ( 13.233 -0.000 -9.043) 16.027 3.046 ( 4.324 -0.000 -1.598) 4.610 3.047 ( 5.554 -0.000 -0.800) 5.611 3.969 ( -3.409 0.000 3.849) 5.142 4.055 ( -3.943 0.000 -5.256) 6.570 4.206 ( 2.449 -0.000 0.912) 2.613 4.212 ( 0.241 -0.000 0.338) 0.415 4.321 ( 3.226 -0.000 -0.651) 3.291 4.336 ( 5.381 -0.000 -2.608) 5.980 4.582 ( 1.634 -0.000 4.133) 4.445 4.636 ( 1.373 -0.000 -1.961) 2.394 4.761 ( -0.474 0.000 2.355) 2.402 4.821 ( -0.632 0.000 -3.603) 3.658 5.030 ( 2.021 -0.000 2.828) 3.476 5.088 ( 2.741 -0.000 -3.500) 4.445 5.563 ( -1.711 0.000 3.474) 3.872 5.564 ( -5.348 0.000 4.673) 7.102 5.804 ( -4.773 0.000 -0.128) 4.775 5.870 ( -8.373 0.000 -5.509) 10.023 6.801 ( -2.405 0.000 4.073) 4.730 6.862 ( -1.490 0.000 -2.353) 2.785 ======================= Grid point 379 (119/147) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.846 -0.048 1.334) 1.581 1.079 ( -1.130 -0.121 -1.286) 1.716 1.560 ( 2.537 1.572 3.845) 4.867 1.628 ( 2.302 1.033 -2.806) 3.773 1.700 ( -1.878 1.024 0.337) 2.165 1.707 ( -1.893 1.278 -0.406) 2.319 1.895 ( 5.122 -0.594 0.559) 5.187 1.900 ( 5.110 -0.868 -0.051) 5.184 1.993 ( 6.763 -1.090 2.832) 7.412 2.012 ( 5.502 -0.956 -0.145) 5.587 2.180 ( 3.324 -0.118 5.131) 6.115 2.200 ( -0.490 -0.227 2.315) 2.377 2.495 ( -6.147 0.153 1.826) 6.414 2.618 ( -1.432 0.045 -8.658) 8.776 2.873 ( 11.793 -0.181 4.697) 12.695 2.973 ( 8.188 -0.026 -6.034) 10.171 3.106 ( 1.862 0.052 0.330) 1.892 3.109 ( 1.973 -0.420 0.066) 2.018 3.896 ( -3.631 0.004 3.300) 4.907 3.968 ( -4.241 -0.026 -4.373) 6.092 4.232 ( 1.274 0.046 1.443) 1.925 4.259 ( 2.712 0.074 -1.082) 2.921 4.389 ( 4.043 0.070 2.184) 4.595 4.445 ( 6.195 0.045 -3.786) 7.261 4.603 ( 0.010 0.008 4.626) 4.626 4.667 ( 1.535 0.008 -2.262) 2.734 4.766 ( 1.074 0.087 1.147) 1.574 4.807 ( -0.707 0.082 -3.007) 3.090 5.052 ( 0.287 0.030 3.598) 3.609 5.129 ( 1.643 0.073 -4.803) 5.077 5.466 ( -4.686 0.171 8.960) 10.113 5.537 ( -0.837 0.108 1.502) 1.723 5.719 ( -6.688 0.302 -3.074) 7.367 5.725 ( -4.350 -0.307 -3.814) 5.793 6.765 ( -1.456 0.087 4.464) 4.696 6.838 ( -1.045 0.157 -3.233) 3.401 ======================= Grid point 380 (120/147) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -0.007 -0.080 0.846) 0.850 1.059 ( -0.766 -0.137 -0.873) 1.170 1.507 ( -4.060 1.608 4.568) 6.320 1.583 ( -3.049 0.981 -3.304) 4.601 1.706 ( -0.389 0.045 0.614) 0.728 1.712 ( -0.150 0.225 -0.186) 0.328 1.933 ( 0.536 -0.132 0.488) 0.737 1.944 ( 0.903 -0.562 -0.679) 1.262 2.129 ( 3.985 -0.401 4.856) 6.295 2.158 ( 8.408 -0.910 3.279) 9.071 2.210 ( 2.352 -0.233 2.004) 3.098 2.252 ( 3.608 0.112 4.448) 5.728 2.368 ( -7.073 0.209 0.831) 7.125 2.591 ( -1.222 0.121 -13.725) 13.779 3.013 ( 2.595 -0.110 0.805) 2.719 3.037 ( 0.264 0.235 -2.030) 2.061 3.128 ( 1.731 -0.467 2.861) 3.377 3.167 ( 2.730 -0.053 -1.242) 2.999 3.848 ( -1.388 0.017 2.963) 3.272 3.914 ( -1.480 -0.016 -4.036) 4.299 4.248 ( 0.307 0.055 2.005) 2.029 4.291 ( 0.617 0.106 -2.510) 2.586 4.470 ( 4.105 0.116 4.182) 5.861 4.554 ( 4.653 0.117 -4.926) 6.777 4.573 ( -2.688 -0.088 5.463) 6.089 4.666 ( -1.751 -0.079 -4.287) 4.632 4.790 ( 0.979 0.059 0.555) 1.127 4.806 ( 0.518 0.072 -1.141) 1.255 5.046 ( -0.561 0.020 4.485) 4.520 5.149 ( 0.479 0.059 -6.654) 6.672 5.400 ( -2.016 0.067 11.219) 11.399 5.537 ( 0.935 0.107 -2.002) 2.212 5.606 ( -4.298 -0.110 0.779) 4.369 5.673 ( -1.658 0.091 -5.138) 5.400 6.745 ( -0.617 0.054 4.481) 4.524 6.821 ( -0.645 0.107 -3.542) 3.602 ======================= Grid point 381 (121/147) ======================= q-point: (-0.62 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.720 0.340 0.597) 0.995 1.065 ( 1.617 -0.001 -0.566) 1.713 1.442 ( -2.444 -0.467 5.718) 6.236 1.540 ( -1.391 -0.454 -4.378) 4.616 1.658 ( -4.720 -1.428 0.662) 4.976 1.670 ( -4.199 -1.488 -0.538) 4.487 1.943 ( 0.622 0.190 1.496) 1.631 1.970 ( 1.608 0.351 -1.304) 2.100 2.151 ( -0.503 0.236 6.510) 6.534 2.214 ( -7.709 0.591 8.180) 11.256 2.247 ( 0.099 1.289 0.344) 1.338 2.257 ( 1.012 0.655 1.613) 2.013 2.351 ( 6.352 -0.462 -1.088) 6.461 2.582 ( 0.543 -0.180 -14.678) 14.689 3.002 ( -2.997 -0.401 1.612) 3.426 3.033 ( -0.704 -0.089 -2.067) 2.186 3.155 ( 0.392 0.493 1.735) 1.846 3.178 ( -1.543 0.324 -0.584) 1.681 3.846 ( 1.251 -0.040 3.000) 3.250 3.914 ( 1.531 -0.004 -4.230) 4.498 4.244 ( -0.647 -0.069 1.880) 1.989 4.284 ( -1.252 -0.128 -2.285) 2.609 4.462 ( -4.430 -0.168 4.101) 6.039 4.547 ( -4.940 -0.138 -5.091) 7.095 4.578 ( 2.681 0.092 5.512) 6.130 4.671 ( 1.782 0.096 -4.289) 4.645 4.786 ( -1.400 -0.074 0.536) 1.501 4.801 ( -1.081 -0.122 -0.982) 1.465 5.044 ( 0.420 -0.025 4.329) 4.349 5.145 ( -0.905 -0.089 -6.483) 6.547 5.395 ( 1.389 -0.110 11.096) 11.184 5.530 ( -1.320 -0.142 -2.230) 2.595 5.614 ( 4.763 0.188 0.356) 4.780 5.666 ( 1.033 -0.131 -4.307) 4.431 6.742 ( 0.228 -0.070 4.184) 4.190 6.813 ( -0.171 -0.157 -3.401) 3.409 ======================= Grid point 382 (122/147) ======================= q-point: (-0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.315 0.359 1.833) 1.894 1.098 ( 1.488 0.613 -1.720) 2.355 1.397 ( -4.886 -3.736 6.403) 8.879 1.515 ( -4.064 -2.575 -5.823) 7.553 1.579 ( -2.906 -2.865 1.015) 4.205 1.601 ( -2.644 -2.246 -1.258) 3.691 1.942 ( -1.063 0.928 2.398) 2.783 1.979 ( -1.107 1.569 -1.297) 2.318 2.058 ( -7.356 0.761 8.248) 11.078 2.117 ( -3.084 1.912 0.755) 3.706 2.212 ( -2.110 1.379 1.932) 3.176 2.236 ( -1.875 1.094 0.037) 2.171 2.474 ( 6.039 -0.575 1.234) 6.191 2.609 ( 1.837 -0.311 -10.327) 10.494 2.894 ( -8.948 0.514 4.139) 9.872 2.976 ( -6.914 0.070 -4.776) 8.403 3.126 ( -2.496 0.683 0.808) 2.711 3.139 ( -2.115 0.714 -0.438) 2.275 3.895 ( 3.876 -0.032 3.382) 5.144 3.971 ( 4.486 0.055 -4.703) 6.500 4.226 ( -1.173 -0.154 1.263) 1.731 4.249 ( -2.386 -0.264 -0.906) 2.566 4.379 ( -4.087 -0.266 2.354) 4.724 4.439 ( -6.001 -0.162 -4.030) 7.231 4.603 ( -0.311 0.039 4.585) 4.596 4.666 ( -1.934 -0.013 -2.185) 2.918 4.755 ( -1.441 -0.288 1.102) 1.836 4.794 ( 0.328 -0.417 -2.920) 2.968 5.048 ( -0.385 -0.083 3.219) 3.243 5.120 ( -1.821 -0.251 -4.564) 4.921 5.443 ( 3.233 -0.609 8.800) 9.395 5.522 ( 0.287 -0.402 0.324) 0.591 5.708 ( 3.725 -0.111 -1.089) 3.882 5.738 ( 7.631 0.185 -3.838) 8.543 6.755 ( 1.111 -0.239 3.664) 3.836 6.817 ( 0.365 -0.571 -2.863) 2.942 ======================= Grid point 383 (123/147) ======================= q-point: (-0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -1.720 -0.286 2.296) 2.883 1.099 ( -1.588 0.095 -2.429) 2.903 1.273 ( -9.221 -3.172 6.631) 11.792 1.398 ( -8.229 -2.493 -6.259) 10.635 1.587 ( 0.270 -5.321 0.696) 5.373 1.610 ( 0.618 -4.528 -1.479) 4.803 1.845 ( -8.167 2.404 5.545) 10.160 1.896 ( -4.808 3.805 0.293) 6.138 1.979 ( -2.338 0.469 3.285) 4.059 2.037 ( -3.835 2.892 -1.430) 5.011 2.165 ( -2.351 0.860 2.403) 3.470 2.199 ( -1.827 -0.501 -0.768) 2.044 2.566 ( 1.105 -0.069 3.613) 3.779 2.641 ( 0.811 0.016 -3.584) 3.675 2.675 ( -10.830 1.749 3.193) 11.425 2.770 ( -13.841 0.679 -5.936) 15.075 3.063 ( -5.760 0.620 -0.600) 5.825 3.071 ( -3.647 0.729 -1.981) 4.214 3.977 ( 4.067 0.250 4.031) 5.732 4.066 ( 4.717 0.377 -5.441) 7.211 4.207 ( -1.771 0.047 0.827) 1.956 4.211 ( -0.066 -0.038 0.390) 0.397 4.313 ( -3.166 -0.275 -0.288) 3.191 4.335 ( -5.125 -0.052 -2.848) 5.863 4.577 ( -1.825 -0.095 3.902) 4.308 4.629 ( -1.800 -0.242 -1.854) 2.595 4.747 ( 0.421 -0.482 2.267) 2.356 4.805 ( 0.524 -0.638 -3.589) 3.683 5.025 ( -2.082 -0.152 2.417) 3.194 5.078 ( -2.819 -0.385 -3.307) 4.363 5.507 ( 2.650 -1.727 5.534) 6.374 5.540 ( 1.258 -0.985 1.623) 2.278 5.794 ( 5.423 -0.101 3.260) 6.329 5.894 ( 8.888 0.633 -6.387) 10.963 6.786 ( 2.084 -0.425 3.033) 3.705 6.834 ( 1.051 -0.999 -1.922) 2.408 ======================= Grid point 384 (124/147) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -7.962 -1.757 2.173) 8.438 1.011 ( -7.752 -0.109 -1.021) 7.819 1.146 ( -3.987 -0.083 5.150) 6.513 1.259 ( -6.914 0.236 -5.882) 9.080 1.608 ( -2.579 -6.988 2.634) 7.901 1.637 ( -0.912 -5.579 -0.860) 5.718 1.681 ( -6.606 3.170 4.344) 8.518 1.766 ( -6.587 3.898 -4.310) 8.784 1.925 ( -4.031 1.111 4.427) 6.089 1.948 ( -4.241 0.012 1.055) 4.370 2.117 ( -2.591 -0.067 3.219) 4.132 2.171 ( -1.276 -0.464 -1.435) 1.976 2.336 ( -14.886 3.887 6.171) 16.576 2.475 ( -15.078 1.257 -6.566) 16.493 2.641 ( -3.031 -0.272 1.108) 3.239 2.664 ( 1.277 -0.539 -1.015) 1.718 2.923 ( -7.597 0.756 1.915) 7.871 3.000 ( -2.352 1.524 -6.705) 7.267 4.001 ( -1.697 0.703 3.670) 4.104 4.080 ( -3.294 1.054 -4.591) 5.748 4.168 ( -4.145 0.242 2.325) 4.759 4.235 ( -4.111 0.152 -4.967) 6.449 4.256 ( 2.829 -0.052 1.580) 3.241 4.289 ( 1.349 -0.306 -1.868) 2.325 4.564 ( 0.877 -0.053 2.886) 3.016 4.606 ( -0.690 -0.589 -1.686) 1.914 4.774 ( 2.165 -0.349 2.147) 3.069 4.824 ( 1.123 -0.542 -3.004) 3.252 4.977 ( -2.939 -0.279 1.871) 3.496 5.020 ( -3.404 -0.588 -2.756) 4.419 5.551 ( 1.027 -2.477 4.282) 5.052 5.580 ( 1.828 -2.687 1.403) 3.540 5.904 ( 6.080 0.342 6.989) 9.270 6.053 ( 8.374 1.111 -8.438) 11.940 6.838 ( 3.181 -0.677 2.479) 4.090 6.868 ( 2.041 -1.240 -0.624) 2.468 ======================= Grid point 385 (125/147) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -9.993 1.781 4.479) 11.095 0.853 ( -8.446 1.092 -1.638) 8.672 1.081 ( -4.802 1.760 2.465) 5.677 1.143 ( -3.777 2.889 -2.970) 5.606 1.486 ( -8.704 2.167 4.443) 10.010 1.567 ( -8.514 5.498 -2.625) 10.469 1.631 ( -2.465 -5.542 -0.039) 6.065 1.659 ( -4.634 -7.114 -2.163) 8.762 1.804 ( -7.611 -0.930 12.912) 15.016 1.895 ( -2.329 -2.135 1.719) 3.597 2.043 ( -5.751 -0.618 3.925) 6.991 2.134 ( -3.824 2.746 0.136) 4.709 2.156 ( -0.542 1.251 -0.680) 1.523 2.245 ( -6.777 -0.142 -11.150) 13.049 2.529 ( -8.399 -0.024 2.844) 8.867 2.591 ( -9.332 -0.555 -3.530) 9.993 2.858 ( 1.826 1.380 6.496) 6.888 2.995 ( 2.643 2.276 -8.564) 9.247 3.929 ( -4.857 0.743 2.228) 5.395 3.969 ( -7.237 1.035 -1.706) 7.507 4.041 ( -8.143 0.074 1.010) 8.205 4.104 ( -8.989 -0.131 -5.609) 10.596 4.329 ( 1.966 -0.314 0.548) 2.065 4.341 ( 4.251 -0.277 -0.869) 4.348 4.594 ( 1.306 0.161 1.345) 1.882 4.611 ( 0.621 -0.000 -0.410) 0.744 4.816 ( 1.171 -0.416 1.353) 1.837 4.849 ( 1.823 -0.256 -1.931) 2.668 4.934 ( -1.506 -0.461 1.388) 2.100 4.973 ( -1.449 -0.738 -2.555) 3.029 5.577 ( 0.264 -3.586 5.240) 6.355 5.626 ( 1.301 -4.049 0.335) 4.265 6.008 ( 5.090 0.846 8.848) 10.243 6.186 ( 6.225 1.540 -10.061) 11.931 6.911 ( 4.131 -1.134 1.949) 4.707 6.921 ( 2.916 -1.172 0.921) 3.275 ======================= Grid point 386 (126/147) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -4.931 7.631 5.658) 10.703 0.712 ( -4.604 3.559 -2.312) 6.262 0.924 ( -8.636 6.173 7.467) 12.978 1.088 ( -1.729 3.164 -8.228) 8.984 1.314 ( -7.722 3.003 5.553) 9.974 1.368 ( -7.705 1.664 -0.671) 7.911 1.595 ( -3.800 -3.924 0.752) 5.514 1.604 ( -3.879 -4.005 -0.715) 5.621 1.695 ( -3.443 0.032 17.980) 18.306 1.888 ( -0.295 -4.676 1.430) 4.899 1.991 ( -0.862 -3.576 -1.656) 4.034 2.074 ( -0.863 1.552 -8.764) 8.942 2.168 ( 2.476 0.168 0.662) 2.569 2.218 ( 0.818 -0.475 -6.008) 6.082 2.368 ( -7.670 0.137 1.124) 7.753 2.405 ( -9.313 -0.405 -2.485) 9.647 2.922 ( 4.847 1.349 6.441) 8.173 3.054 ( 4.201 2.473 -8.102) 9.456 3.820 ( -7.403 0.270 0.809) 7.452 3.834 ( -5.183 0.302 -0.137) 5.193 3.901 ( -6.885 -0.215 -0.908) 6.948 3.918 ( -8.617 0.078 -3.029) 9.134 4.358 ( 1.011 -0.054 1.958) 2.204 4.404 ( 2.237 -0.315 -3.060) 3.803 4.593 ( -1.162 0.247 0.825) 1.446 4.605 ( -1.040 0.335 -0.315) 1.138 4.822 ( -0.219 -1.710 4.308) 4.640 4.892 ( 2.000 0.574 -2.456) 3.219 4.924 ( -0.078 -0.684 1.979) 2.095 4.978 ( 1.227 -0.212 -3.383) 3.604 5.598 ( -0.152 -4.898 6.533) 8.167 5.667 ( 0.761 -4.660 -0.463) 4.744 6.079 ( 2.860 1.125 9.181) 9.682 6.266 ( 3.158 1.762 -11.013) 11.591 6.977 ( 2.315 -1.045 2.603) 3.637 6.999 ( 3.874 -2.011 0.619) 4.408 ======================= Grid point 387 (127/147) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 11.319 6.173) 12.892 0.660 ( 0.000 5.060 -6.759) 8.443 0.778 ( 0.000 5.933 15.762) 16.841 1.049 ( 0.000 3.712 -13.219) 13.730 1.215 ( 0.000 2.883 9.978) 10.386 1.302 ( -0.000 -0.734 -1.769) 1.915 1.561 ( -0.000 -2.208 1.531) 2.687 1.582 ( -0.000 -2.845 -0.815) 2.960 1.667 ( 0.000 0.351 19.004) 19.008 1.914 ( -0.000 -5.187 1.650) 5.443 2.007 ( -0.000 -3.151 -4.293) 5.325 2.074 ( 0.000 0.126 -13.264) 13.265 2.223 ( -0.000 -0.824 2.034) 2.195 2.234 ( -0.000 -0.504 2.684) 2.731 2.284 ( 0.000 0.489 -4.268) 4.296 2.287 ( -0.000 -0.073 -2.854) 2.855 2.981 ( 0.000 0.548 4.393) 4.427 3.093 ( 0.000 2.294 -7.699) 8.033 3.738 ( 0.000 0.103 0.268) 0.287 3.743 ( 0.000 0.113 -0.213) 0.241 3.826 ( 0.000 0.115 1.499) 1.503 3.853 ( 0.000 0.125 -1.343) 1.349 4.367 ( 0.000 0.113 2.409) 2.412 4.426 ( -0.000 -0.127 -4.075) 4.077 4.575 ( 0.000 0.075 0.674) 0.678 4.590 ( 0.000 0.072 -0.802) 0.806 4.830 ( -0.000 -1.818 6.034) 6.302 4.906 ( 0.000 1.124 -1.076) 1.556 4.929 ( -0.000 -1.127 1.381) 1.783 4.994 ( 0.000 0.185 -4.188) 4.192 5.621 ( -0.000 -4.900 6.641) 8.253 5.699 ( -0.000 -5.156 -1.101) 5.272 6.101 ( 0.000 1.098 8.947) 9.014 6.286 ( 0.000 1.812 -11.166) 11.312 7.005 ( -0.000 -1.032 3.733) 3.873 7.053 ( -0.000 -2.792 -1.135) 3.014 ======================= Grid point 392 (128/147) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.072 -0.000 0.826) 0.829 1.058 ( -0.773 0.000 -0.855) 1.153 1.515 ( -4.496 0.000 4.441) 6.319 1.588 ( -3.390 0.000 -3.066) 4.570 1.706 ( -0.797 0.000 0.646) 1.026 1.713 ( -0.630 0.000 -0.363) 0.726 1.933 ( 0.520 -0.000 0.360) 0.633 1.941 ( 1.280 -0.000 -0.560) 1.397 2.127 ( 4.244 -0.000 4.730) 6.354 2.154 ( 8.838 -0.000 3.340) 9.448 2.209 ( 2.479 -0.000 2.066) 3.227 2.252 ( 3.738 -0.000 4.340) 5.728 2.369 ( -7.109 0.000 0.971) 7.175 2.592 ( -1.255 0.000 -13.653) 13.711 3.012 ( 2.461 -0.000 0.812) 2.591 3.039 ( 0.276 -0.000 -2.294) 2.311 3.126 ( 1.924 -0.000 3.129) 3.673 3.167 ( 2.819 -0.000 -1.287) 3.099 3.848 ( -1.398 0.000 2.960) 3.273 3.913 ( -1.476 0.000 -4.022) 4.284 4.248 ( 0.283 -0.000 2.015) 2.035 4.291 ( 0.574 -0.000 -2.526) 2.591 4.471 ( 4.085 -0.000 4.187) 5.850 4.555 ( 4.670 -0.000 -4.975) 6.824 4.572 ( -2.730 0.000 5.518) 6.157 4.666 ( -1.751 0.000 -4.285) 4.629 4.791 ( 0.949 -0.000 0.553) 1.098 4.807 ( 0.487 -0.000 -1.150) 1.249 5.046 ( -0.572 0.000 4.496) 4.533 5.149 ( 0.448 -0.000 -6.664) 6.679 5.400 ( -2.058 0.000 11.228) 11.415 5.538 ( 0.907 -0.000 -1.990) 2.187 5.605 ( -4.270 0.000 0.807) 4.345 5.673 ( -1.694 0.000 -5.191) 5.461 6.745 ( -0.647 0.000 4.501) 4.547 6.822 ( -0.701 0.000 -3.551) 3.620 ======================= Grid point 393 (129/147) ======================= q-point: (-0.69 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.590 0.154 0.441) 0.753 1.064 ( 2.043 -0.033 -0.401) 2.083 1.440 ( -3.505 -0.074 5.805) 6.781 1.537 ( -2.047 -0.137 -4.158) 4.636 1.649 ( -5.013 -0.470 0.404) 5.051 1.659 ( -4.605 -0.685 -0.681) 4.705 1.945 ( 0.793 0.070 1.589) 1.777 1.972 ( 1.859 0.116 -1.327) 2.287 2.152 ( -0.201 0.063 6.642) 6.646 2.218 ( -7.935 0.137 9.327) 12.247 2.256 ( 0.635 0.529 0.270) 0.870 2.262 ( 1.574 0.312 0.780) 1.784 2.348 ( 6.236 -0.197 -1.375) 6.388 2.581 ( 0.420 -0.065 -14.802) 14.808 2.999 ( -2.927 -0.146 1.684) 3.380 3.032 ( -0.804 -0.050 -2.239) 2.379 3.159 ( 0.687 0.183 1.748) 1.887 3.180 ( -1.444 0.120 -0.487) 1.529 3.846 ( 1.233 -0.015 3.002) 3.246 3.914 ( 1.537 -0.003 -4.255) 4.524 4.243 ( -0.695 -0.024 1.865) 1.991 4.283 ( -1.341 -0.045 -2.258) 2.626 4.461 ( -4.479 -0.061 4.090) 6.066 4.546 ( -5.000 -0.050 -5.153) 7.181 4.579 ( 2.710 0.033 5.554) 6.180 4.672 ( 1.792 0.034 -4.286) 4.646 4.786 ( -1.453 -0.026 0.526) 1.546 4.800 ( -1.178 -0.045 -0.957) 1.518 5.044 ( 0.404 -0.009 4.308) 4.327 5.144 ( -0.961 -0.032 -6.457) 6.528 5.394 ( 1.302 -0.041 11.080) 11.156 5.529 ( -1.370 -0.051 -2.268) 2.650 5.615 ( 4.846 0.070 0.292) 4.856 5.665 ( 0.924 -0.048 -4.181) 4.283 6.741 ( 0.180 -0.025 4.141) 4.145 6.812 ( -0.284 -0.057 -3.380) 3.392 ======================= Grid point 394 (130/147) ======================= q-point: (-0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.237 0.231 1.957) 1.985 1.103 ( 1.517 0.393 -1.810) 2.394 1.368 ( -5.486 -2.054 6.870) 9.028 1.495 ( -4.541 -1.399 -6.337) 7.920 1.557 ( -3.337 -1.560 1.262) 3.894 1.584 ( -2.868 -1.231 -1.507) 3.466 1.949 ( -0.742 0.489 2.641) 2.786 1.991 ( -0.283 0.830 -1.755) 1.962 2.063 ( -7.803 0.302 9.477) 12.280 2.131 ( -2.123 0.883 0.971) 2.496 2.224 ( -2.668 0.985 1.258) 3.109 2.244 ( -2.346 0.581 -0.257) 2.430 2.470 ( 6.068 -0.337 1.082) 6.173 2.606 ( 1.888 -0.194 -10.670) 10.837 2.898 ( -8.301 0.285 4.016) 9.226 2.976 ( -6.612 0.034 -4.540) 8.021 3.131 ( -2.648 0.409 0.787) 2.793 3.145 ( -2.136 0.393 -0.414) 2.211 3.895 ( 3.925 -0.021 3.395) 5.190 3.971 ( 4.538 0.027 -4.769) 6.583 4.225 ( -1.154 -0.087 1.223) 1.684 4.247 ( -2.333 -0.150 -0.865) 2.493 4.377 ( -4.092 -0.152 2.387) 4.739 4.438 ( -5.964 -0.092 -4.088) 7.231 4.604 ( -0.355 0.031 4.579) 4.592 4.666 ( -2.012 -0.005 -2.146) 2.942 4.753 ( -1.525 -0.159 1.052) 1.860 4.791 ( 0.228 -0.257 -2.875) 2.896 5.047 ( -0.404 -0.044 3.136) 3.162 5.118 ( -1.862 -0.142 -4.509) 4.880 5.439 ( 2.942 -0.346 8.788) 9.274 5.519 ( 0.152 -0.229 0.102) 0.293 5.707 ( 3.555 -0.047 -0.778) 3.639 5.739 ( 7.876 0.094 -3.786) 8.739 6.753 ( 1.062 -0.126 3.474) 3.635 6.812 ( 0.213 -0.328 -2.764) 2.791 ======================= Grid point 395 (131/147) ======================= q-point: (-0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -2.408 -0.337 2.458) 3.458 1.099 ( -2.180 -0.014 -2.614) 3.404 1.249 ( -7.446 -1.774 7.038) 10.398 1.378 ( -7.281 -1.613 -6.195) 9.695 1.544 ( -0.771 -3.441 0.685) 3.592 1.572 ( -0.248 -3.098 -1.918) 3.652 1.863 ( -7.735 1.322 6.550) 10.222 1.929 ( -4.141 3.041 0.392) 5.153 1.980 ( -2.389 -0.322 3.657) 4.380 2.062 ( -4.240 2.222 -2.363) 5.339 2.172 ( -2.650 0.668 1.731) 3.235 2.193 ( -2.484 -0.731 -0.345) 2.613 2.565 ( 2.484 -0.135 2.743) 3.703 2.641 ( 1.228 -0.066 -4.371) 4.541 2.690 ( -11.663 1.330 3.537) 12.260 2.776 ( -13.784 0.533 -4.987) 14.668 3.068 ( -5.905 0.450 -0.504) 5.943 3.077 ( -3.401 0.498 -2.148) 4.053 3.979 ( 4.258 0.172 4.084) 5.903 4.069 ( 4.963 0.268 -5.509) 7.420 4.207 ( -1.613 0.038 0.783) 1.794 4.211 ( 0.034 -0.038 0.413) 0.416 4.310 ( -3.143 -0.194 -0.187) 3.155 4.334 ( -5.059 -0.040 -2.913) 5.837 4.577 ( -1.865 -0.039 3.812) 4.244 4.627 ( -1.939 -0.167 -1.799) 2.650 4.743 ( 0.405 -0.345 2.204) 2.267 4.799 ( 0.492 -0.503 -3.520) 3.589 5.024 ( -2.115 -0.106 2.271) 3.106 5.075 ( -2.887 -0.290 -3.238) 4.348 5.493 ( 2.135 -1.228 5.860) 6.356 5.532 ( 0.909 -0.691 1.216) 1.668 5.794 ( 5.576 -0.025 3.894) 6.802 5.899 ( 9.042 0.407 -6.495) 11.140 6.783 ( 2.042 -0.252 2.650) 3.355 6.825 ( 0.907 -0.738 -1.718) 2.078 ======================= Grid point 396 (132/147) ======================= q-point: (-0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -7.458 -1.198 2.509) 7.959 1.010 ( -7.141 -0.231 -2.276) 7.499 1.151 ( -2.843 1.106 5.901) 6.643 1.263 ( -5.172 0.516 -5.318) 7.436 1.539 ( -2.621 -6.454 1.968) 7.238 1.582 ( -1.155 -5.340 -2.247) 5.908 1.710 ( -7.058 2.420 7.251) 10.404 1.808 ( -6.870 4.250 -3.772) 8.915 1.932 ( -3.186 -0.135 2.680) 4.166 1.951 ( -6.723 1.019 0.896) 6.858 2.115 ( -3.212 -0.387 3.238) 4.578 2.167 ( -0.778 -0.455 -1.155) 1.465 2.370 ( -14.634 2.934 5.179) 15.799 2.487 ( -15.259 1.025 -5.649) 16.304 2.639 ( -2.892 -0.256 0.828) 3.019 2.659 ( 1.128 -0.554 -1.012) 1.613 2.930 ( -7.322 0.650 2.323) 7.709 3.014 ( -1.960 1.205 -6.902) 7.275 4.008 ( -1.552 0.582 3.838) 4.181 4.089 ( -3.035 0.930 -4.794) 5.749 4.170 ( -4.194 0.191 2.339) 4.806 4.236 ( -4.229 0.097 -4.857) 6.441 4.256 ( 2.858 -0.057 1.468) 3.214 4.286 ( 1.337 -0.260 -1.752) 2.219 4.564 ( 1.080 0.055 2.589) 2.806 4.600 ( -0.786 -0.552 -1.377) 1.679 4.771 ( 2.369 -0.259 2.059) 3.149 4.818 ( 1.208 -0.502 -2.886) 3.168 4.974 ( -3.036 -0.248 1.630) 3.455 5.014 ( -3.612 -0.609 -2.644) 4.517 5.526 ( 0.477 -2.475 4.996) 5.596 5.559 ( 1.311 -1.667 1.311) 2.493 5.907 ( 6.322 0.308 7.536) 9.841 6.063 ( 8.556 0.835 -8.670) 12.210 6.832 ( 3.094 -0.418 1.994) 3.704 6.856 ( 2.016 -1.082 -0.405) 2.323 ======================= Grid point 397 (133/147) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -6.984 2.552 3.067) 8.043 0.864 ( -7.404 1.145 -2.053) 7.768 1.101 ( -2.694 2.683 4.102) 5.593 1.174 ( -3.114 3.398 -2.396) 5.194 1.482 ( -7.265 -3.818 5.287) 9.762 1.577 ( -2.690 -6.409 -2.207) 7.293 1.601 ( -3.458 -1.371 1.247) 3.924 1.624 ( -10.449 4.936 -3.714) 12.138 1.802 ( -7.619 0.524 9.484) 12.177 1.873 ( -3.722 -2.404 0.755) 4.495 2.034 ( -6.524 -1.103 6.086) 8.990 2.156 ( -3.233 1.553 1.324) 3.824 2.168 ( -1.524 1.397 -1.471) 2.537 2.245 ( -8.071 0.055 -10.727) 13.425 2.529 ( -8.298 -0.056 2.383) 8.634 2.585 ( -9.232 -0.642 -3.397) 9.858 2.871 ( 1.990 1.260 7.122) 7.501 3.017 ( 2.888 2.016 -8.698) 9.384 3.936 ( -4.950 0.723 2.436) 5.564 3.980 ( -7.528 1.057 -1.647) 7.778 4.042 ( -8.170 0.087 0.709) 8.201 4.102 ( -9.318 -0.356 -5.359) 10.755 4.326 ( 2.046 -0.260 0.485) 2.119 4.339 ( 4.121 -0.261 -0.962) 4.240 4.596 ( 1.404 0.258 1.535) 2.096 4.611 ( 1.128 -0.004 -0.056) 1.130 4.813 ( 0.466 -0.164 1.279) 1.371 4.846 ( 2.342 -0.421 -1.796) 2.981 4.929 ( -1.597 -0.381 0.978) 1.912 4.963 ( -1.501 -1.113 -2.393) 3.036 5.539 ( -0.648 -3.986 6.498) 7.650 5.594 ( 1.281 -2.581 0.545) 2.932 6.016 ( 5.288 0.746 9.203) 10.640 6.199 ( 6.330 1.260 -10.374) 12.218 6.902 ( 3.926 -0.818 1.683) 4.349 6.910 ( 3.025 -1.040 0.840) 3.307 ======================= Grid point 398 (134/147) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -1.879 8.050 2.942) 8.774 0.747 ( -3.265 3.583 -1.223) 4.999 0.985 ( -7.190 6.282 7.167) 11.938 1.124 ( -0.850 4.261 -5.882) 7.313 1.341 ( -6.294 2.114 4.554) 8.051 1.390 ( -10.087 2.663 0.444) 10.442 1.553 ( -2.909 -4.538 0.040) 5.390 1.563 ( -3.033 -4.009 -0.787) 5.089 1.694 ( -3.363 -0.248 16.090) 16.439 1.840 ( -1.491 -5.087 0.429) 5.318 1.954 ( -2.209 -3.868 0.102) 4.456 2.090 ( -1.422 1.646 -8.922) 9.183 2.170 ( 1.893 0.234 0.750) 2.050 2.213 ( 0.954 -0.592 -5.401) 5.516 2.369 ( -7.665 0.027 0.636) 7.692 2.401 ( -9.271 -0.485 -2.395) 9.588 2.936 ( 4.582 1.344 7.362) 8.775 3.078 ( 4.153 2.376 -8.195) 9.490 3.823 ( -7.658 0.277 0.847) 7.709 3.837 ( -5.616 0.323 -0.133) 5.626 3.899 ( -7.360 -0.191 -0.797) 7.406 3.918 ( -7.765 -0.060 -2.746) 8.236 4.358 ( 1.201 0.012 1.780) 2.147 4.401 ( 2.389 -0.243 -3.035) 3.871 4.596 ( -1.284 0.357 0.932) 1.626 4.609 ( -1.106 0.371 -0.212) 1.186 4.805 ( -0.576 -1.728 5.470) 5.765 4.896 ( 1.907 0.309 -3.992) 4.435 4.918 ( 0.194 -0.420 2.676) 2.716 4.974 ( 1.330 -0.746 -3.241) 3.582 5.546 ( -0.868 -5.395 8.543) 10.141 5.629 ( 0.873 -3.188 -0.391) 3.328 6.090 ( 2.945 1.083 9.468) 9.975 6.282 ( 3.166 1.497 -11.312) 11.842 6.968 ( 2.392 -0.828 2.027) 3.243 6.981 ( 3.464 -1.575 0.946) 3.921 ======================= Grid point 399 (135/147) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 0.000 11.009 2.824) 11.365 0.713 ( 0.000 5.690 -4.287) 7.124 0.844 ( 0.000 7.411 14.172) 15.992 1.091 ( 0.000 4.923 -12.163) 13.121 1.250 ( 0.000 4.250 8.371) 9.388 1.298 ( 0.000 0.026 0.750) 0.751 1.534 ( -0.000 -3.177 1.002) 3.331 1.548 ( -0.000 -3.927 -0.558) 3.967 1.669 ( -0.000 -0.102 17.956) 17.957 1.858 ( -0.000 -6.223 0.761) 6.270 1.965 ( -0.000 -5.003 -2.962) 5.814 2.081 ( 0.000 1.139 -14.543) 14.587 2.215 ( -0.000 -0.691 2.647) 2.735 2.228 ( -0.000 -0.595 2.971) 3.030 2.286 ( -0.000 -0.099 -3.056) 3.058 2.287 ( 0.000 0.100 -4.529) 4.530 2.988 ( 0.000 0.780 5.870) 5.922 3.116 ( 0.000 2.313 -7.886) 8.218 3.739 ( 0.000 0.125 0.266) 0.293 3.744 ( 0.000 0.136 -0.228) 0.265 3.827 ( 0.000 0.139 1.500) 1.506 3.854 ( 0.000 0.150 -1.354) 1.362 4.369 ( 0.000 0.209 2.264) 2.273 4.426 ( -0.000 -0.009 -4.056) 4.056 4.576 ( 0.000 0.091 0.671) 0.677 4.590 ( 0.000 0.087 -0.802) 0.807 4.812 ( -0.000 -1.946 7.476) 7.725 4.912 ( -0.000 -0.332 -3.395) 3.411 4.924 ( 0.000 0.365 3.030) 3.052 4.993 ( -0.000 -0.404 -4.087) 4.107 5.565 ( -0.000 -6.138 8.846) 10.767 5.655 ( -0.000 -3.770 -0.660) 3.828 6.112 ( 0.000 1.210 9.280) 9.358 6.304 ( 0.000 1.653 -11.540) 11.658 6.996 ( -0.000 -0.901 2.950) 3.085 7.028 ( -0.000 -2.343 -0.131) 2.347 ======================= Grid point 406 (136/147) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.213 -0.000 2.005) 2.016 1.105 ( 1.526 -0.000 -1.847) 2.396 1.358 ( -5.717 0.000 7.042) 9.070 1.489 ( -4.716 0.000 -6.520) 8.047 1.550 ( -3.478 0.000 1.347) 3.729 1.578 ( -2.916 0.000 -1.593) 3.322 1.952 ( -0.642 0.000 2.722) 2.797 1.995 ( 0.018 -0.000 -1.946) 1.946 2.064 ( -7.966 0.000 9.917) 12.721 2.135 ( -1.762 0.000 1.049) 2.051 2.229 ( -2.927 0.000 0.997) 3.092 2.247 ( -2.508 0.000 -0.307) 2.526 2.468 ( 6.085 -0.000 1.024) 6.171 2.605 ( 1.905 -0.000 -10.794) 10.961 2.900 ( -8.065 0.000 3.969) 8.989 2.976 ( -6.498 0.000 -4.456) 7.879 3.133 ( -2.712 0.000 0.773) 2.820 3.147 ( -2.137 0.000 -0.397) 2.174 3.895 ( 3.943 -0.000 3.399) 5.206 3.971 ( 4.557 -0.000 -4.792) 6.612 4.225 ( -1.147 0.000 1.208) 1.666 4.246 ( -2.315 0.000 -0.850) 2.466 4.376 ( -4.093 0.000 2.398) 4.744 4.437 ( -5.950 0.000 -4.110) 7.232 4.604 ( -0.369 0.000 4.576) 4.591 4.666 ( -2.040 0.000 -2.130) 2.950 4.752 ( -1.557 0.000 1.030) 1.867 4.790 ( 0.190 -0.000 -2.856) 2.863 5.047 ( -0.410 0.000 3.106) 3.133 5.117 ( -1.877 0.000 -4.488) 4.865 5.437 ( 2.838 -0.000 8.786) 9.233 5.518 ( 0.103 -0.000 0.023) 0.106 5.707 ( 3.501 -0.000 -0.671) 3.565 5.739 ( 7.957 -0.000 -3.766) 8.803 6.752 ( 1.047 -0.000 3.402) 3.560 6.811 ( 0.157 -0.000 -2.725) 2.730 ======================= Grid point 408 (137/147) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -2.912 -0.158 2.578) 3.893 1.099 ( -2.554 -0.023 -2.730) 3.738 1.238 ( -6.185 -0.535 7.204) 9.510 1.367 ( -6.736 -0.570 -5.964) 9.015 1.522 ( -1.342 -1.170 0.515) 1.854 1.552 ( -0.825 -1.116 -2.121) 2.534 1.871 ( -7.547 0.411 7.101) 10.371 1.954 ( -3.705 1.894 -1.028) 4.286 1.973 ( -2.489 -0.962 5.312) 5.944 2.078 ( -4.335 0.884 -3.110) 5.408 2.178 ( -2.450 0.557 1.230) 2.798 2.186 ( -3.298 -0.681 0.250) 3.377 2.564 ( 3.062 -0.061 2.343) 3.856 2.640 ( 1.403 -0.038 -4.780) 4.982 2.699 ( -11.927 0.493 3.625) 12.475 2.780 ( -13.720 0.201 -4.464) 14.429 3.071 ( -5.991 0.165 -0.453) 6.010 3.080 ( -3.264 0.176 -2.242) 3.964 3.980 ( 4.366 0.061 4.115) 6.000 4.071 ( 5.107 0.097 -5.551) 7.543 4.208 ( -1.557 0.016 0.752) 1.729 4.211 ( 0.125 -0.018 0.430) 0.448 4.309 ( -3.130 -0.070 -0.132) 3.134 4.334 ( -5.022 -0.015 -2.948) 5.824 4.576 ( -1.882 -0.007 3.756) 4.201 4.626 ( -2.022 -0.059 -1.762) 2.683 4.741 ( 0.396 -0.125 2.159) 2.198 4.796 ( 0.473 -0.193 -3.463) 3.501 5.023 ( -2.136 -0.038 2.183) 3.054 5.073 ( -2.935 -0.108 -3.196) 4.340 5.484 ( 1.829 -0.444 6.057) 6.343 5.527 ( 0.739 -0.247 1.001) 1.269 5.794 ( 5.657 -0.002 4.211) 7.052 5.901 ( 9.127 0.140 -6.543) 11.231 6.781 ( 2.037 -0.078 2.408) 3.155 6.820 ( 0.813 -0.275 -1.577) 1.796 ======================= Grid point 409 (138/147) ======================= q-point: (-0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -6.664 -0.535 2.545) 7.154 1.007 ( -6.814 -0.225 -2.931) 7.421 1.164 ( -1.617 1.412 6.075) 6.443 1.267 ( -4.045 0.210 -4.226) 5.854 1.488 ( -3.593 -3.743 1.729) 5.469 1.539 ( -1.884 -3.312 -3.080) 4.899 1.727 ( -6.961 1.129 8.970) 11.410 1.844 ( -6.667 3.045 -4.257) 8.476 1.924 ( -3.709 -1.139 3.006) 4.909 1.964 ( -7.047 1.317 -0.857) 7.219 2.111 ( -3.690 -0.433 3.657) 5.213 2.163 ( -0.389 -0.285 -0.937) 1.054 2.392 ( -14.626 1.587 4.595) 15.412 2.494 ( -15.393 0.577 -4.998) 16.195 2.637 ( -2.775 -0.136 0.568) 2.835 2.654 ( 1.005 -0.387 -0.986) 1.460 2.935 ( -7.130 0.373 2.591) 7.596 3.023 ( -1.693 0.660 -7.022) 7.253 4.012 ( -1.443 0.329 3.966) 4.234 4.097 ( -2.817 0.554 -4.974) 5.743 4.171 ( -4.244 0.103 2.342) 4.849 4.237 ( -4.392 0.039 -4.769) 6.483 4.255 ( 2.915 -0.038 1.385) 3.228 4.284 ( 1.337 -0.149 -1.673) 2.147 4.565 ( 1.297 0.095 2.308) 2.649 4.596 ( -0.923 -0.362 -1.073) 1.461 4.769 ( 2.558 -0.133 1.989) 3.243 4.814 ( 1.252 -0.314 -2.742) 3.031 4.972 ( -3.091 -0.135 1.404) 3.397 5.009 ( -3.832 -0.402 -2.542) 4.616 5.506 ( 0.026 -1.470 5.728) 5.914 5.547 ( 1.086 -0.810 1.029) 1.701 5.910 ( 6.471 0.179 7.861) 10.184 6.069 ( 8.676 0.444 -8.804) 12.368 6.830 ( 3.083 -0.136 1.545) 3.452 6.847 ( 1.980 -0.676 -0.140) 2.097 ======================= Grid point 410 (139/147) ======================= q-point: (-0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -4.581 2.164 1.508) 5.286 0.874 ( -6.517 0.830 -2.077) 6.890 1.135 ( -1.098 4.184 5.169) 6.740 1.206 ( -1.740 2.804 -1.115) 3.483 1.425 ( -5.847 -6.608 4.049) 9.708 1.512 ( -3.676 -6.247 -4.261) 8.408 1.606 ( -5.365 1.316 5.794) 8.006 1.673 ( -9.217 4.578 -3.183) 10.773 1.811 ( -7.895 1.194 4.600) 9.215 1.849 ( -4.945 -2.387 0.098) 5.492 2.023 ( -7.208 -1.190 8.358) 11.101 2.164 ( -0.512 0.385 0.971) 1.163 2.183 ( -4.277 1.372 -0.882) 4.578 2.246 ( -9.115 0.144 -10.229) 13.702 2.528 ( -8.214 -0.024 1.942) 8.441 2.579 ( -9.140 -0.555 -3.261) 9.720 2.882 ( 2.086 0.864 7.604) 7.932 3.033 ( 3.069 1.366 -8.798) 9.417 3.942 ( -5.006 0.535 2.642) 5.686 3.989 ( -7.845 0.805 -1.491) 8.026 4.043 ( -8.062 0.126 0.185) 8.065 4.097 ( -9.721 -0.464 -5.031) 10.956 4.324 ( 2.131 -0.164 0.430) 2.180 4.336 ( 4.038 -0.181 -1.024) 4.169 4.599 ( 1.506 0.293 1.701) 2.291 4.611 ( 1.561 -0.046 0.292) 1.588 4.813 ( -0.435 0.116 1.069) 1.160 4.841 ( 3.012 -0.595 -1.282) 3.327 4.928 ( -1.544 0.052 0.202) 1.558 4.952 ( -1.663 -1.252 -2.116) 2.969 5.504 ( -1.115 -2.843 7.892) 8.463 5.575 ( 1.222 -1.470 0.140) 1.917 6.022 ( 5.425 0.502 9.460) 10.917 6.210 ( 6.385 0.810 -10.553) 12.361 6.896 ( 3.767 -0.410 1.404) 4.041 6.901 ( 3.215 -0.744 0.848) 3.407 ======================= Grid point 411 (140/147) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -0.624 5.925 -0.066) 5.958 0.779 ( -1.601 3.326 -0.079) 3.692 1.045 ( -5.977 6.044 7.818) 11.549 1.172 ( -0.175 5.611 -3.637) 6.689 1.348 ( -3.537 -1.174 4.328) 5.711 1.407 ( -9.468 -0.377 -0.143) 9.476 1.515 ( -3.283 -2.521 1.116) 4.287 1.538 ( -3.953 -0.525 -1.045) 4.122 1.689 ( -4.180 -0.814 12.130) 12.856 1.792 ( -2.578 -4.740 -0.184) 5.399 1.918 ( -3.560 -3.428 2.607) 5.588 2.104 ( -1.803 1.353 -9.236) 9.507 2.172 ( 1.530 0.265 0.976) 1.834 2.208 ( 1.033 -0.534 -4.656) 4.799 2.369 ( -7.694 0.005 0.216) 7.697 2.396 ( -9.181 -0.465 -2.320) 9.481 2.948 ( 4.347 1.025 8.177) 9.317 3.099 ( 4.046 1.812 -8.265) 9.379 3.825 ( -7.911 0.224 0.878) 7.963 3.840 ( -6.076 0.269 -0.139) 6.084 3.897 ( -7.816 -0.146 -0.732) 7.852 3.917 ( -6.817 -0.147 -2.410) 7.232 4.358 ( 1.387 0.062 1.638) 2.148 4.399 ( 2.577 -0.128 -3.004) 3.960 4.600 ( -1.510 0.396 0.958) 1.831 4.612 ( -1.109 0.321 -0.039) 1.156 4.789 ( -0.969 -1.532 6.533) 6.780 4.899 ( 1.314 0.205 -4.673) 4.859 4.916 ( 1.102 -0.168 2.260) 2.520 4.965 ( 1.366 -0.996 -2.916) 3.371 5.499 ( -1.092 -4.033 10.355) 11.166 5.604 ( 0.867 -2.067 -1.022) 2.464 6.099 ( 3.015 0.824 9.697) 10.188 6.294 ( 3.136 1.046 -11.407) 11.876 6.961 ( 2.520 -0.478 1.539) 2.991 6.968 ( 3.243 -0.999 1.128) 3.576 ======================= Grid point 412 (141/147) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 7.031 1.131) 7.121 0.771 ( 0.000 6.307 -3.011) 6.989 0.918 ( 0.000 7.561 12.717) 14.795 1.142 ( 0.000 5.424 -11.045) 12.305 1.292 ( 0.000 3.422 7.782) 8.501 1.310 ( 0.000 3.469 2.793) 4.454 1.499 ( -0.000 -3.974 0.465) 4.001 1.507 ( -0.000 -4.349 -0.363) 4.364 1.662 ( -0.000 -1.434 15.373) 15.440 1.797 ( -0.000 -6.065 0.365) 6.076 1.915 ( -0.000 -5.141 -1.723) 5.422 2.093 ( 0.000 1.194 -15.013) 15.061 2.210 ( -0.000 -0.377 3.211) 3.233 2.223 ( -0.000 -0.549 3.267) 3.313 2.285 ( -0.000 -0.101 -3.259) 3.261 2.287 ( -0.000 -0.120 -4.528) 4.530 2.996 ( 0.000 0.720 7.229) 7.265 3.136 ( 0.000 1.857 -7.929) 8.144 3.741 ( 0.000 0.118 0.262) 0.288 3.745 ( 0.000 0.128 -0.243) 0.275 3.828 ( 0.000 0.131 1.501) 1.507 3.856 ( 0.000 0.141 -1.364) 1.371 4.371 ( 0.000 0.273 2.152) 2.169 4.426 ( 0.000 0.140 -4.066) 4.068 4.577 ( 0.000 0.086 0.667) 0.672 4.591 ( 0.000 0.081 -0.802) 0.806 4.793 ( -0.000 -1.885 8.959) 9.155 4.906 ( -0.000 -0.529 -1.532) 1.620 4.931 ( 0.000 0.836 0.144) 0.849 4.986 ( -0.000 -0.925 -3.906) 4.014 5.509 ( -0.000 -5.001 10.957) 12.044 5.624 ( -0.000 -2.620 -1.345) 2.945 6.123 ( 0.000 1.038 9.544) 9.601 6.318 ( 0.000 1.236 -11.612) 11.678 6.989 ( -0.000 -0.531 2.220) 2.282 7.009 ( -0.000 -1.546 0.451) 1.611 ======================= Grid point 421 (142/147) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -6.320 0.000 2.520) 6.804 1.006 ( -6.699 0.000 -3.096) 7.380 1.172 ( -0.924 0.000 5.985) 6.056 1.268 ( -3.741 0.000 -3.504) 5.126 1.470 ( -4.076 0.000 1.496) 4.342 1.522 ( -2.263 0.000 -3.384) 4.071 1.732 ( -6.917 0.000 9.557) 11.797 1.861 ( -6.611 0.000 -5.320) 8.486 1.917 ( -3.941 0.000 4.140) 5.715 1.972 ( -7.026 0.000 -1.813) 7.256 2.108 ( -3.868 0.000 3.963) 5.538 2.161 ( -0.242 0.000 -0.857) 0.891 2.400 ( -14.650 0.000 4.404) 15.297 2.497 ( -15.445 0.000 -4.759) 16.162 2.636 ( -2.736 0.000 0.449) 2.772 2.652 ( 0.969 -0.000 -0.964) 1.367 2.937 ( -7.062 0.000 2.684) 7.555 3.026 ( -1.599 0.000 -7.062) 7.241 4.014 ( -1.403 0.000 4.015) 4.253 4.100 ( -2.729 0.000 -5.049) 5.739 4.172 ( -4.266 0.000 2.342) 4.866 4.237 ( -4.471 0.000 -4.733) 6.511 4.255 ( 2.946 -0.000 1.354) 3.242 4.283 ( 1.338 -0.000 -1.646) 2.122 4.565 ( 1.409 -0.000 2.182) 2.597 4.594 ( -1.005 0.000 -0.936) 1.373 4.769 ( 2.637 -0.000 1.961) 3.287 4.813 ( 1.261 -0.000 -2.676) 2.958 4.972 ( -3.102 0.000 1.308) 3.366 5.007 ( -3.932 0.000 -2.499) 4.659 5.498 ( -0.135 0.000 6.012) 6.013 5.543 ( 1.019 -0.000 0.907) 1.365 5.911 ( 6.521 -0.000 7.969) 10.297 6.071 ( 8.717 -0.000 -8.847) 12.420 6.829 ( 3.112 -0.000 1.335) 3.386 6.844 ( 1.941 -0.000 0.006) 1.941 ======================= Grid point 423 (143/147) ======================= q-point: (-0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -3.325 0.828 0.558) 3.472 0.880 ( -6.004 0.290 -1.933) 6.314 1.178 ( 1.252 3.968 4.781) 6.338 1.220 ( -1.142 -0.306 1.719) 2.086 1.374 ( -6.411 -3.043 3.036) 7.718 1.465 ( -4.651 -2.870 -5.648) 7.859 1.616 ( -5.525 0.571 8.338) 10.019 1.707 ( -8.800 2.069 -3.020) 9.531 1.821 ( -6.829 0.401 0.804) 6.888 1.831 ( -6.967 -1.025 -0.325) 7.049 2.013 ( -7.666 -0.561 10.221) 12.788 2.166 ( 0.227 0.076 0.562) 0.611 2.192 ( -4.971 0.509 -0.335) 5.009 2.247 ( -9.670 0.069 -9.921) 13.854 2.528 ( -8.162 0.003 1.650) 8.328 2.575 ( -9.085 -0.229 -3.164) 9.623 2.888 ( 2.126 0.306 7.866) 8.154 3.043 ( 3.165 0.481 -8.851) 9.412 3.946 ( -5.026 0.200 2.777) 5.745 3.995 ( -8.085 0.300 -1.299) 8.194 4.044 ( -7.870 0.082 -0.329) 7.877 4.094 ( -10.055 -0.234 -4.757) 11.126 4.323 ( 2.185 -0.055 0.398) 2.222 4.335 ( 4.001 -0.064 -1.052) 4.138 4.601 ( 1.555 0.153 1.812) 2.393 4.610 ( 1.831 -0.049 0.505) 1.900 4.815 ( -1.574 0.166 0.771) 1.761 4.836 ( 3.957 -0.369 -0.687) 4.033 4.931 ( -1.093 0.576 -0.656) 1.399 4.940 ( -2.138 -1.022 -1.687) 2.909 5.485 ( -1.279 -1.001 8.674) 8.824 5.565 ( 1.175 -0.487 -0.166) 1.283 6.025 ( 5.494 0.176 9.595) 11.058 6.215 ( 6.405 0.278 -10.633) 12.416 6.894 ( 3.570 -0.011 1.199) 3.766 6.896 ( 3.467 -0.375 0.909) 3.604 ======================= Grid point 424 (144/147) ======================= q-point: (-0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -1.885 1.450 0.779) 2.502 0.825 ( 1.116 3.429 -2.327) 4.292 1.102 ( -6.211 5.372 9.059) 12.227 1.231 ( 0.934 6.180 -1.493) 6.426 1.319 ( 0.425 -3.869 3.592) 5.296 1.376 ( -6.075 -5.154 -2.808) 8.447 1.508 ( -5.426 0.539 4.802) 7.265 1.552 ( -6.267 2.568 -0.946) 6.838 1.679 ( -5.913 -1.020 6.539) 8.874 1.751 ( -3.158 -3.390 -0.814) 4.704 1.890 ( -4.357 -2.089 5.884) 7.613 2.115 ( -2.084 0.763 -9.649) 9.901 2.174 ( 1.384 0.182 1.259) 1.880 2.203 ( 1.070 -0.313 -3.988) 4.141 2.369 ( -7.721 0.028 -0.100) 7.721 2.392 ( -9.080 -0.307 -2.252) 9.360 2.955 ( 4.177 0.539 8.738) 9.700 3.113 ( 3.941 0.969 -8.312) 9.250 3.827 ( -8.105 0.125 0.899) 8.155 3.842 ( -6.441 0.153 -0.147) 6.444 3.896 ( -8.214 -0.081 -0.717) 8.246 3.916 ( -5.973 -0.121 -2.129) 6.342 4.359 ( 1.525 0.055 1.551) 2.176 4.399 ( 2.734 -0.044 -2.979) 4.043 4.603 ( -1.790 0.284 0.892) 2.020 4.615 ( -1.024 0.180 0.178) 1.055 4.776 ( -1.267 -0.932 7.220) 7.390 4.900 ( 0.615 0.129 -4.675) 4.717 4.915 ( 2.127 -0.021 1.110) 2.400 4.956 ( 1.336 -0.728 -2.343) 2.793 5.469 ( -1.091 -2.057 11.397) 11.633 5.589 ( 0.843 -1.033 -1.545) 2.041 6.105 ( 3.059 0.439 9.841) 10.315 6.302 ( 3.101 0.531 -11.411) 11.837 6.958 ( 2.650 -0.174 1.205) 2.917 6.961 ( 3.136 -0.487 1.244) 3.409 ======================= Grid point 425 (145/147) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.000 3.022 1.780) 3.507 0.830 ( 0.000 5.051 -3.881) 6.370 0.986 ( 0.000 6.074 11.705) 13.187 1.193 ( 0.000 4.845 -10.174) 11.268 1.319 ( 0.000 2.911 9.470) 9.908 1.358 ( 0.000 5.099 3.351) 6.102 1.459 ( -0.000 -4.041 0.318) 4.054 1.467 ( -0.000 -3.704 -0.536) 3.743 1.640 ( -0.000 -2.891 10.298) 10.696 1.743 ( -0.000 -4.734 -0.115) 4.735 1.870 ( -0.000 -3.695 1.492) 3.985 2.103 ( 0.000 0.815 -15.362) 15.384 2.208 ( -0.000 -0.094 3.647) 3.648 2.218 ( -0.000 -0.383 3.507) 3.528 2.284 ( -0.000 -0.076 -3.419) 3.420 2.285 ( -0.000 -0.122 -4.363) 4.365 3.001 ( 0.000 0.461 8.255) 8.268 3.151 ( 0.000 1.170 -7.915) 8.001 3.742 ( 0.000 0.084 0.260) 0.273 3.746 ( 0.000 0.090 -0.256) 0.271 3.829 ( 0.000 0.093 1.502) 1.504 3.857 ( 0.000 0.099 -1.373) 1.376 4.374 ( 0.000 0.240 2.090) 2.104 4.428 ( 0.000 0.188 -4.100) 4.104 4.578 ( 0.000 0.061 0.664) 0.666 4.592 ( 0.000 0.057 -0.801) 0.803 4.776 ( -0.000 -1.406 10.047) 10.145 4.903 ( -0.000 -0.235 -1.070) 1.095 4.939 ( 0.000 0.776 -1.636) 1.810 4.976 ( -0.000 -1.084 -3.364) 3.534 5.470 ( -0.000 -3.022 12.207) 12.576 5.604 ( -0.000 -1.575 -2.038) 2.575 6.132 ( 0.000 0.683 9.721) 9.745 6.328 ( 0.000 0.747 -11.548) 11.572 6.985 ( -0.000 -0.192 1.659) 1.670 6.997 ( -0.000 -0.843 0.789) 1.154 ======================= Grid point 436 (146/147) ======================= q-point: (-0.54 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -1.720 0.000 1.126) 2.056 0.841 ( 1.354 -0.000 -3.119) 3.400 1.134 ( -7.640 0.000 10.067) 12.638 1.272 ( 5.514 -0.000 1.352) 5.677 1.299 ( 1.202 -0.000 4.187) 4.357 1.334 ( -7.156 0.000 -7.365) 10.269 1.513 ( -5.923 0.000 6.796) 9.015 1.568 ( -6.900 0.000 -0.655) 6.931 1.673 ( -7.017 0.000 3.370) 7.785 1.733 ( -3.295 0.000 -1.296) 3.540 1.880 ( -4.547 0.000 7.617) 8.871 2.119 ( -2.197 0.000 -9.856) 10.098 2.175 ( 1.358 -0.000 1.403) 1.953 2.202 ( 1.080 -0.000 -3.715) 3.869 2.370 ( -7.729 0.000 -0.225) 7.733 2.390 ( -9.036 0.000 -2.219) 9.304 2.958 ( 4.114 -0.000 8.938) 9.839 3.118 ( 3.897 -0.000 -8.330) 9.196 3.828 ( -8.179 0.000 0.906) 8.229 3.842 ( -6.582 0.000 -0.150) 6.583 3.896 ( -8.385 0.000 -0.719) 8.415 3.915 ( -5.618 0.000 -2.018) 5.970 4.359 ( 1.576 -0.000 1.522) 2.191 4.398 ( 2.794 -0.000 -2.969) 4.077 4.605 ( -1.940 0.000 0.833) 2.111 4.615 ( -0.951 0.000 0.296) 0.996 4.772 ( -1.375 0.000 7.445) 7.571 4.901 ( 0.312 -0.000 -4.566) 4.576 4.915 ( 2.581 -0.000 0.429) 2.616 4.952 ( 1.301 -0.000 -1.978) 2.368 5.459 ( -1.070 0.000 11.723) 11.772 5.584 ( 0.834 -0.000 -1.733) 1.923 6.108 ( 3.074 -0.000 9.890) 10.357 6.305 ( 3.087 -0.000 -11.404) 11.814 6.957 ( 2.701 -0.000 1.021) 2.887 6.959 ( 3.109 -0.000 1.352) 3.390 ======================= Grid point 438 (147/147) ======================= q-point: (-0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.000 0.900 2.555) 2.709 0.863 ( 0.000 1.712 -4.720) 5.021 1.029 ( 0.000 2.461 11.263) 11.529 1.230 ( 0.000 2.230 -9.854) 10.103 1.345 ( 0.000 1.791 12.212) 12.343 1.396 ( 0.000 2.229 3.234) 3.928 1.428 ( -0.000 -1.902 0.466) 1.958 1.440 ( -0.000 -1.670 -0.790) 1.847 1.615 ( -0.000 -1.599 5.470) 5.699 1.708 ( -0.000 -2.176 -1.488) 2.636 1.846 ( -0.000 -1.244 5.036) 5.187 2.108 ( 0.000 0.278 -15.534) 15.537 2.207 ( 0.000 0.006 3.873) 3.873 2.215 ( -0.000 -0.137 3.641) 3.644 2.283 ( -0.000 -0.028 -3.507) 3.507 2.284 ( -0.000 -0.041 -4.219) 4.219 3.004 ( 0.000 0.152 8.806) 8.808 3.159 ( 0.000 0.396 -7.901) 7.911 3.742 ( 0.000 0.030 0.258) 0.260 3.747 ( 0.000 0.033 -0.263) 0.265 3.830 ( 0.000 0.034 1.502) 1.502 3.857 ( 0.000 0.036 -1.377) 1.378 4.375 ( 0.000 0.096 2.067) 2.069 4.429 ( 0.000 0.085 -4.130) 4.131 4.578 ( 0.000 0.022 0.662) 0.662 4.592 ( 0.000 0.021 -0.801) 0.801 4.767 ( -0.000 -0.521 10.572) 10.585 4.901 ( -0.000 -0.058 -1.026) 1.028 4.945 ( 0.000 0.461 -3.138) 3.172 4.967 ( -0.000 -0.619 -2.334) 2.414 5.451 ( -0.000 -0.991 12.745) 12.783 5.593 ( -0.000 -0.525 -2.416) 2.472 6.136 ( 0.000 0.237 9.809) 9.812 6.332 ( 0.000 0.248 -11.482) 11.485 6.984 ( -0.000 -0.020 1.320) 1.320 6.992 ( -0.000 -0.278 0.994) 1.032 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/30420 10.0 29.336 21.479 23.372 0.000 0.000 0.000 3/30420 20.0 11.231 4.482 6.331 0.000 0.000 0.000 3/30420 30.0 7.871 2.399 4.061 0.000 0.000 0.000 3/30420 40.0 6.269 1.663 3.146 0.000 0.000 0.000 3/30420 50.0 5.227 1.284 2.606 0.000 0.000 0.000 3/30420 60.0 4.482 1.052 2.243 0.000 0.000 0.000 3/30420 70.0 3.925 0.895 1.980 0.000 0.000 0.000 3/30420 80.0 3.491 0.781 1.778 0.000 0.000 0.000 3/30420 90.0 3.145 0.694 1.617 0.000 0.000 0.000 3/30420 100.0 2.862 0.625 1.484 0.000 0.000 0.000 3/30420 110.0 2.626 0.569 1.372 0.000 0.000 0.000 3/30420 120.0 2.425 0.523 1.276 0.000 0.000 0.000 3/30420 130.0 2.254 0.483 1.193 0.000 0.000 0.000 3/30420 140.0 2.105 0.450 1.120 0.000 0.000 0.000 3/30420 150.0 1.974 0.420 1.056 0.000 0.000 0.000 3/30420 160.0 1.859 0.395 0.998 0.000 0.000 0.000 3/30420 170.0 1.756 0.372 0.946 0.000 0.000 0.000 3/30420 180.0 1.664 0.352 0.900 0.000 0.000 0.000 3/30420 190.0 1.581 0.334 0.857 0.000 0.000 0.000 3/30420 200.0 1.506 0.318 0.819 0.000 0.000 0.000 3/30420 210.0 1.438 0.303 0.784 0.000 0.000 0.000 3/30420 220.0 1.376 0.289 0.751 0.000 0.000 0.000 3/30420 230.0 1.319 0.277 0.721 0.000 0.000 0.000 3/30420 240.0 1.266 0.266 0.694 0.000 0.000 0.000 3/30420 250.0 1.217 0.255 0.668 0.000 0.000 0.000 3/30420 260.0 1.172 0.246 0.644 0.000 0.000 0.000 3/30420 270.0 1.131 0.237 0.622 0.000 0.000 0.000 3/30420 280.0 1.092 0.228 0.602 0.000 0.000 0.000 3/30420 290.0 1.055 0.221 0.582 0.000 0.000 0.000 3/30420 300.0 1.021 0.213 0.564 0.000 0.000 0.000 3/30420 310.0 0.989 0.207 0.547 0.000 0.000 0.000 3/30420 320.0 0.959 0.200 0.531 0.000 0.000 0.000 3/30420 330.0 0.931 0.194 0.516 0.000 0.000 0.000 3/30420 340.0 0.905 0.189 0.501 0.000 0.000 0.000 3/30420 350.0 0.879 0.183 0.488 0.000 0.000 0.000 3/30420 360.0 0.856 0.178 0.475 0.000 0.000 0.000 3/30420 370.0 0.833 0.174 0.463 0.000 0.000 0.000 3/30420 380.0 0.812 0.169 0.451 0.000 0.000 0.000 3/30420 390.0 0.792 0.165 0.440 0.000 0.000 0.000 3/30420 400.0 0.772 0.161 0.429 0.000 0.000 0.000 3/30420 410.0 0.754 0.157 0.419 0.000 0.000 0.000 3/30420 420.0 0.736 0.153 0.410 0.000 0.000 0.000 3/30420 430.0 0.720 0.150 0.401 0.000 0.000 0.000 3/30420 440.0 0.704 0.146 0.392 0.000 0.000 0.000 3/30420 450.0 0.688 0.143 0.384 0.000 0.000 0.000 3/30420 460.0 0.674 0.140 0.376 0.000 0.000 0.000 3/30420 470.0 0.660 0.137 0.368 0.000 0.000 0.000 3/30420 480.0 0.646 0.134 0.361 0.000 0.000 0.000 3/30420 490.0 0.633 0.132 0.353 0.000 0.000 0.000 3/30420 500.0 0.621 0.129 0.347 0.000 0.000 0.000 3/30420 510.0 0.609 0.126 0.340 0.000 0.000 0.000 3/30420 520.0 0.597 0.124 0.334 0.000 0.000 0.000 3/30420 530.0 0.586 0.122 0.328 0.000 0.000 0.000 3/30420 540.0 0.575 0.120 0.322 0.000 0.000 0.000 3/30420 550.0 0.565 0.117 0.316 0.000 0.000 0.000 3/30420 560.0 0.555 0.115 0.311 0.000 0.000 0.000 3/30420 570.0 0.546 0.113 0.305 0.000 0.000 0.000 3/30420 580.0 0.536 0.111 0.300 0.000 0.000 0.000 3/30420 590.0 0.527 0.109 0.295 0.000 0.000 0.000 3/30420 600.0 0.519 0.108 0.290 0.000 0.000 0.000 3/30420 610.0 0.510 0.106 0.286 0.000 0.000 0.000 3/30420 620.0 0.502 0.104 0.281 0.000 0.000 0.000 3/30420 630.0 0.494 0.103 0.277 0.000 0.000 0.000 3/30420 640.0 0.487 0.101 0.273 0.000 0.000 0.000 3/30420 650.0 0.479 0.099 0.269 0.000 0.000 0.000 3/30420 660.0 0.472 0.098 0.265 0.000 0.000 0.000 3/30420 670.0 0.465 0.097 0.261 0.000 0.000 0.000 3/30420 680.0 0.459 0.095 0.257 0.000 0.000 0.000 3/30420 690.0 0.452 0.094 0.254 0.000 0.000 0.000 3/30420 700.0 0.446 0.092 0.250 0.000 0.000 0.000 3/30420 710.0 0.439 0.091 0.247 0.000 0.000 0.000 3/30420 720.0 0.433 0.090 0.243 0.000 0.000 0.000 3/30420 730.0 0.428 0.089 0.240 0.000 0.000 0.000 3/30420 740.0 0.422 0.087 0.237 0.000 0.000 0.000 3/30420 750.0 0.416 0.086 0.234 0.000 0.000 0.000 3/30420 760.0 0.411 0.085 0.231 0.000 0.000 0.000 3/30420 770.0 0.406 0.084 0.228 0.000 0.000 0.000 3/30420 780.0 0.401 0.083 0.225 0.000 0.000 0.000 3/30420 790.0 0.395 0.082 0.222 0.000 0.000 0.000 3/30420 800.0 0.391 0.081 0.219 0.000 0.000 0.000 3/30420 810.0 0.386 0.080 0.217 0.000 0.000 0.000 3/30420 820.0 0.381 0.079 0.214 0.000 0.000 0.000 3/30420 830.0 0.377 0.078 0.212 0.000 0.000 0.000 3/30420 840.0 0.372 0.077 0.209 0.000 0.000 0.000 3/30420 850.0 0.368 0.076 0.207 0.000 0.000 0.000 3/30420 860.0 0.364 0.075 0.204 0.000 0.000 0.000 3/30420 870.0 0.359 0.074 0.202 0.000 0.000 0.000 3/30420 880.0 0.355 0.074 0.200 0.000 0.000 0.000 3/30420 890.0 0.351 0.073 0.198 0.000 0.000 0.000 3/30420 900.0 0.348 0.072 0.195 0.000 0.000 0.000 3/30420 910.0 0.344 0.071 0.193 0.000 0.000 0.000 3/30420 920.0 0.340 0.070 0.191 0.000 0.000 0.000 3/30420 930.0 0.337 0.070 0.189 0.000 0.000 0.000 3/30420 940.0 0.333 0.069 0.187 0.000 0.000 0.000 3/30420 950.0 0.330 0.068 0.185 0.000 0.000 0.000 3/30420 960.0 0.326 0.068 0.183 0.000 0.000 0.000 3/30420 970.0 0.323 0.067 0.182 0.000 0.000 0.000 3/30420 980.0 0.320 0.066 0.180 0.000 0.000 0.000 3/30420 990.0 0.316 0.065 0.178 0.000 0.000 0.000 3/30420 1000.0 0.313 0.065 0.176 0.000 0.000 0.000 3/30420 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:47:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|