----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:56:34]------------------------- 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 2.179314640000000 -8.382397279999999 0.000000000000000 b 2.179314640000000 8.382397279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.521169989999999 Atomic positions (fractional): *1 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 2 Tb 0.50000000000000 0.50000000000000 0.00000000000000 158.925 *3 Cs 0.24695097283568 0.75304902716432 0.75000000000000 132.905 4 Cs 0.75304902716432 0.24695097283567 0.25000000000000 132.905 *5 Zn 0.96352686939459 0.03647313060541 0.75000000000000 65.380 6 Zn 0.03647313060541 0.96352686939459 0.25000000000000 65.380 *7 Te 0.43853572248241 0.56146427751759 0.25000000000000 127.600 *8 Te 0.87793279773458 0.12206720226542 0.94142331692819 127.600 9 Te 0.87793279773458 0.12206720226542 0.55857668307181 127.600 10 Te 0.56146427751759 0.43853572248241 0.75000000000000 127.600 11 Te 0.12206720226542 0.87793279773458 0.44142331692819 127.600 12 Te 0.12206720226542 0.87793279773458 0.05857668307181 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.358629280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.764794559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.521169989999999 Atomic positions (fractional): *1 Tb 0.50000000000000 0.00000000000000 0.50000000000000 158.925 > 1 2 Tb 0.50000000000000 0.00000000000000 0.00000000000000 158.925 > 2 3 Tb 0.00000000000000 0.50000000000000 0.50000000000000 158.925 > 1 4 Tb 0.00000000000000 0.50000000000000 0.00000000000000 158.925 > 2 *5 Cs 0.50000000000000 0.25304902716432 0.75000000000000 132.905 > 3 6 Cs 0.00000000000000 0.24695097283567 0.25000000000000 132.905 > 4 7 Cs 0.00000000000000 0.75304902716432 0.75000000000000 132.905 > 3 8 Cs 0.50000000000000 0.74695097283568 0.25000000000000 132.905 > 4 *9 Zn 0.00000000000000 0.03647313060541 0.75000000000000 65.380 > 5 10 Zn 0.50000000000000 0.46352686939459 0.25000000000000 65.380 > 6 11 Zn 0.50000000000000 0.53647313060541 0.75000000000000 65.380 > 5 12 Zn 0.00000000000000 0.96352686939459 0.25000000000000 65.380 > 6 *13 Te 0.50000000000000 0.06146427751759 0.25000000000000 127.600 > 7 *14 Te 0.00000000000000 0.12206720226542 0.94142331692819 127.600 > 8 15 Te 0.00000000000000 0.12206720226542 0.55857668307181 127.600 > 9 16 Te 0.00000000000000 0.43853572248241 0.75000000000000 127.600 > 10 17 Te 0.50000000000000 0.37793279773458 0.44142331692819 127.600 > 11 18 Te 0.50000000000000 0.37793279773458 0.05857668307181 127.600 > 12 19 Te 0.00000000000000 0.56146427751759 0.25000000000000 127.600 > 7 20 Te 0.50000000000000 0.62206720226542 0.94142331692819 127.600 > 8 21 Te 0.50000000000000 0.62206720226542 0.55857668307181 127.600 > 9 22 Te 0.50000000000000 0.93853572248241 0.75000000000000 127.600 > 10 23 Te 0.00000000000000 0.87793279773458 0.44142331692819 127.600 > 11 24 Te 0.00000000000000 0.87793279773458 0.05857668307181 127.600 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.075887840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.764794559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 23.042339979999998 Atomic positions (fractional): *1 Tb 0.16666666666667 0.00000000000000 0.25000000000000 158.925 > 1 2 Tb 0.50000000000000 0.00000000000000 0.25000000000000 158.925 > 1 3 Tb 0.83333333333333 0.00000000000000 0.25000000000000 158.925 > 1 4 Tb 0.16666666666667 0.00000000000000 0.75000000000000 158.925 > 1 5 Tb 0.50000000000000 0.00000000000000 0.75000000000000 158.925 > 1 6 Tb 0.83333333333333 0.00000000000000 0.75000000000000 158.925 > 1 7 Tb 0.16666666666667 0.00000000000000 0.00000000000000 158.925 > 2 8 Tb 0.50000000000000 0.00000000000000 0.00000000000000 158.925 > 2 9 Tb 0.83333333333333 0.00000000000000 0.00000000000000 158.925 > 2 10 Tb 0.16666666666667 0.00000000000000 0.50000000000000 158.925 > 2 11 Tb 0.50000000000000 0.00000000000000 0.50000000000000 158.925 > 2 12 Tb 0.83333333333333 0.00000000000000 0.50000000000000 158.925 > 2 13 Tb 0.00000000000000 0.50000000000000 0.25000000000000 158.925 > 1 14 Tb 0.33333333333333 0.50000000000000 0.25000000000000 158.925 > 1 15 Tb 0.66666666666667 0.50000000000000 0.25000000000000 158.925 > 1 16 Tb 0.00000000000000 0.50000000000000 0.75000000000000 158.925 > 1 17 Tb 0.33333333333333 0.50000000000000 0.75000000000000 158.925 > 1 18 Tb 0.66666666666667 0.50000000000000 0.75000000000000 158.925 > 1 19 Tb 0.00000000000000 0.50000000000000 0.00000000000000 158.925 > 2 20 Tb 0.33333333333333 0.50000000000000 0.00000000000000 158.925 > 2 21 Tb 0.66666666666667 0.50000000000000 0.00000000000000 158.925 > 2 22 Tb 0.00000000000000 0.50000000000000 0.50000000000000 158.925 > 2 23 Tb 0.33333333333333 0.50000000000000 0.50000000000000 158.925 > 2 24 Tb 0.66666666666667 0.50000000000000 0.50000000000000 158.925 > 2 *25 Cs 0.16666666666667 0.25304902716432 0.37500000000000 132.905 > 3 26 Cs 0.50000000000000 0.25304902716432 0.37500000000000 132.905 > 3 27 Cs 0.83333333333333 0.25304902716432 0.37500000000000 132.905 > 3 28 Cs 0.16666666666667 0.25304902716432 0.87500000000000 132.905 > 3 29 Cs 0.50000000000000 0.25304902716432 0.87500000000000 132.905 > 3 30 Cs 0.83333333333333 0.25304902716432 0.87500000000000 132.905 > 3 31 Cs 0.00000000000000 0.24695097283567 0.12500000000000 132.905 > 4 32 Cs 0.33333333333333 0.24695097283567 0.12500000000000 132.905 > 4 33 Cs 0.66666666666667 0.24695097283567 0.12500000000000 132.905 > 4 34 Cs 0.00000000000000 0.24695097283567 0.62500000000000 132.905 > 4 35 Cs 0.33333333333333 0.24695097283567 0.62500000000000 132.905 > 4 36 Cs 0.66666666666667 0.24695097283567 0.62500000000000 132.905 > 4 37 Cs 0.00000000000000 0.75304902716432 0.37500000000000 132.905 > 3 38 Cs 0.33333333333333 0.75304902716432 0.37500000000000 132.905 > 3 39 Cs 0.66666666666667 0.75304902716432 0.37500000000000 132.905 > 3 40 Cs 0.00000000000000 0.75304902716432 0.87500000000000 132.905 > 3 41 Cs 0.33333333333333 0.75304902716432 0.87500000000000 132.905 > 3 42 Cs 0.66666666666667 0.75304902716432 0.87500000000000 132.905 > 3 43 Cs 0.16666666666667 0.74695097283568 0.12500000000000 132.905 > 4 44 Cs 0.50000000000000 0.74695097283568 0.12500000000000 132.905 > 4 45 Cs 0.83333333333333 0.74695097283568 0.12500000000000 132.905 > 4 46 Cs 0.16666666666667 0.74695097283568 0.62500000000000 132.905 > 4 47 Cs 0.50000000000000 0.74695097283568 0.62500000000000 132.905 > 4 48 Cs 0.83333333333333 0.74695097283568 0.62500000000000 132.905 > 4 *49 Zn 0.00000000000000 0.03647313060541 0.37500000000000 65.380 > 5 50 Zn 0.33333333333333 0.03647313060541 0.37500000000000 65.380 > 5 51 Zn 0.66666666666667 0.03647313060541 0.37500000000000 65.380 > 5 52 Zn 0.00000000000000 0.03647313060541 0.87500000000000 65.380 > 5 53 Zn 0.33333333333333 0.03647313060541 0.87500000000000 65.380 > 5 54 Zn 0.66666666666667 0.03647313060541 0.87500000000000 65.380 > 5 55 Zn 0.16666666666667 0.46352686939459 0.12500000000000 65.380 > 6 56 Zn 0.50000000000000 0.46352686939459 0.12500000000000 65.380 > 6 57 Zn 0.83333333333333 0.46352686939459 0.12500000000000 65.380 > 6 58 Zn 0.16666666666667 0.46352686939459 0.62500000000000 65.380 > 6 59 Zn 0.50000000000000 0.46352686939459 0.62500000000000 65.380 > 6 60 Zn 0.83333333333333 0.46352686939459 0.62500000000000 65.380 > 6 61 Zn 0.16666666666667 0.53647313060541 0.37500000000000 65.380 > 5 62 Zn 0.50000000000000 0.53647313060541 0.37500000000000 65.380 > 5 63 Zn 0.83333333333333 0.53647313060541 0.37500000000000 65.380 > 5 64 Zn 0.16666666666667 0.53647313060541 0.87500000000000 65.380 > 5 65 Zn 0.50000000000000 0.53647313060541 0.87500000000000 65.380 > 5 66 Zn 0.83333333333333 0.53647313060541 0.87500000000000 65.380 > 5 67 Zn 0.00000000000000 0.96352686939459 0.12500000000000 65.380 > 6 68 Zn 0.33333333333333 0.96352686939459 0.12500000000000 65.380 > 6 69 Zn 0.66666666666667 0.96352686939459 0.12500000000000 65.380 > 6 70 Zn 0.00000000000000 0.96352686939459 0.62500000000000 65.380 > 6 71 Zn 0.33333333333333 0.96352686939459 0.62500000000000 65.380 > 6 72 Zn 0.66666666666667 0.96352686939459 0.62500000000000 65.380 > 6 *73 Te 0.16666666666667 0.06146427751759 0.12500000000000 127.600 > 7 74 Te 0.50000000000000 0.06146427751759 0.12500000000000 127.600 > 7 75 Te 0.83333333333333 0.06146427751759 0.12500000000000 127.600 > 7 76 Te 0.16666666666667 0.06146427751759 0.62500000000000 127.600 > 7 77 Te 0.50000000000000 0.06146427751759 0.62500000000000 127.600 > 7 78 Te 0.83333333333333 0.06146427751759 0.62500000000000 127.600 > 7 *79 Te 0.00000000000000 0.12206720226542 0.47071165846410 127.600 > 8 80 Te 0.33333333333333 0.12206720226542 0.47071165846410 127.600 > 8 81 Te 0.66666666666667 0.12206720226542 0.47071165846410 127.600 > 8 82 Te 0.00000000000000 0.12206720226542 0.97071165846410 127.600 > 8 83 Te 0.33333333333333 0.12206720226542 0.97071165846410 127.600 > 8 84 Te 0.66666666666667 0.12206720226542 0.97071165846410 127.600 > 8 85 Te 0.00000000000000 0.12206720226542 0.27928834153590 127.600 > 9 86 Te 0.33333333333333 0.12206720226542 0.27928834153590 127.600 > 9 87 Te 0.66666666666667 0.12206720226542 0.27928834153590 127.600 > 9 88 Te 0.00000000000000 0.12206720226542 0.77928834153590 127.600 > 9 89 Te 0.33333333333333 0.12206720226542 0.77928834153590 127.600 > 9 90 Te 0.66666666666667 0.12206720226542 0.77928834153590 127.600 > 9 91 Te 0.00000000000000 0.43853572248241 0.37500000000000 127.600 > 10 92 Te 0.33333333333333 0.43853572248241 0.37500000000000 127.600 > 10 93 Te 0.66666666666667 0.43853572248241 0.37500000000000 127.600 > 10 94 Te 0.00000000000000 0.43853572248241 0.87500000000000 127.600 > 10 95 Te 0.33333333333333 0.43853572248241 0.87500000000000 127.600 > 10 96 Te 0.66666666666667 0.43853572248241 0.87500000000000 127.600 > 10 97 Te 0.16666666666667 0.37793279773458 0.22071165846410 127.600 > 11 98 Te 0.50000000000000 0.37793279773458 0.22071165846410 127.600 > 11 99 Te 0.83333333333333 0.37793279773458 0.22071165846410 127.600 > 11 100 Te 0.16666666666667 0.37793279773458 0.72071165846410 127.600 > 11 101 Te 0.50000000000000 0.37793279773458 0.72071165846410 127.600 > 11 102 Te 0.83333333333333 0.37793279773458 0.72071165846410 127.600 > 11 103 Te 0.16666666666667 0.37793279773458 0.02928834153590 127.600 > 12 104 Te 0.50000000000000 0.37793279773458 0.02928834153590 127.600 > 12 105 Te 0.83333333333333 0.37793279773458 0.02928834153590 127.600 > 12 106 Te 0.16666666666667 0.37793279773458 0.52928834153590 127.600 > 12 107 Te 0.50000000000000 0.37793279773458 0.52928834153590 127.600 > 12 108 Te 0.83333333333333 0.37793279773458 0.52928834153590 127.600 > 12 109 Te 0.00000000000000 0.56146427751759 0.12500000000000 127.600 > 7 110 Te 0.33333333333333 0.56146427751759 0.12500000000000 127.600 > 7 111 Te 0.66666666666667 0.56146427751759 0.12500000000000 127.600 > 7 112 Te 0.00000000000000 0.56146427751759 0.62500000000000 127.600 > 7 113 Te 0.33333333333333 0.56146427751759 0.62500000000000 127.600 > 7 114 Te 0.66666666666667 0.56146427751759 0.62500000000000 127.600 > 7 115 Te 0.16666666666667 0.62206720226542 0.47071165846410 127.600 > 8 116 Te 0.50000000000000 0.62206720226542 0.47071165846410 127.600 > 8 117 Te 0.83333333333333 0.62206720226542 0.47071165846410 127.600 > 8 118 Te 0.16666666666667 0.62206720226542 0.97071165846410 127.600 > 8 119 Te 0.50000000000000 0.62206720226542 0.97071165846410 127.600 > 8 120 Te 0.83333333333333 0.62206720226542 0.97071165846410 127.600 > 8 121 Te 0.16666666666667 0.62206720226542 0.27928834153590 127.600 > 9 122 Te 0.50000000000000 0.62206720226542 0.27928834153590 127.600 > 9 123 Te 0.83333333333333 0.62206720226542 0.27928834153590 127.600 > 9 124 Te 0.16666666666667 0.62206720226542 0.77928834153590 127.600 > 9 125 Te 0.50000000000000 0.62206720226542 0.77928834153590 127.600 > 9 126 Te 0.83333333333333 0.62206720226542 0.77928834153590 127.600 > 9 127 Te 0.16666666666667 0.93853572248241 0.37500000000000 127.600 > 10 128 Te 0.50000000000000 0.93853572248241 0.37500000000000 127.600 > 10 129 Te 0.83333333333333 0.93853572248241 0.37500000000000 127.600 > 10 130 Te 0.16666666666667 0.93853572248241 0.87500000000000 127.600 > 10 131 Te 0.50000000000000 0.93853572248241 0.87500000000000 127.600 > 10 132 Te 0.83333333333333 0.93853572248241 0.87500000000000 127.600 > 10 133 Te 0.00000000000000 0.87793279773458 0.22071165846410 127.600 > 11 134 Te 0.33333333333333 0.87793279773458 0.22071165846410 127.600 > 11 135 Te 0.66666666666667 0.87793279773458 0.22071165846410 127.600 > 11 136 Te 0.00000000000000 0.87793279773458 0.72071165846410 127.600 > 11 137 Te 0.33333333333333 0.87793279773458 0.72071165846410 127.600 > 11 138 Te 0.66666666666667 0.87793279773458 0.72071165846410 127.600 > 11 139 Te 0.00000000000000 0.87793279773458 0.02928834153590 127.600 > 12 140 Te 0.33333333333333 0.87793279773458 0.02928834153590 127.600 > 12 141 Te 0.66666666666667 0.87793279773458 0.02928834153590 127.600 > 12 142 Te 0.00000000000000 0.87793279773458 0.52928834153590 127.600 > 12 143 Te 0.33333333333333 0.87793279773458 0.52928834153590 127.600 > 12 144 Te 0.66666666666667 0.87793279773458 0.52928834153590 127.600 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5339461 0.0000000 0.0000000 0.0000000 5.3267048 0.0000000 0.0000000 0.0000000 8.3459130 -------------------------- Born effective charges -------------------------- 1 Tb 5.5813091 0.0000000 0.0000000 0.0000000 1.5602065 0.4213906 0.0000000 0.5539618 4.9941224 2 Tb 5.5813091 0.0000000 0.0000000 0.0000000 1.5602065 -0.4213906 0.0000000 -0.5539618 4.9941224 3 Cs 1.2778439 0.0000000 0.0000000 0.0000000 2.0199998 0.0000000 0.0000000 0.0000000 1.3373814 4 Cs 1.2778439 0.0000000 0.0000000 0.0000000 2.0199998 0.0000000 0.0000000 0.0000000 1.3373814 5 Zn 2.0536596 0.0000000 0.0000000 0.0000000 0.6875592 0.0000000 0.0000000 0.0000000 1.8912537 6 Zn 2.0536596 0.0000000 0.0000000 0.0000000 0.6875592 0.0000000 0.0000000 0.0000000 1.8912537 7 Te -2.2814925 0.0000000 0.0000000 0.0000000 -1.1070974 0.0000000 0.0000000 0.0000000 -3.5775918 8 Te -3.3156600 0.0000000 0.0000000 0.0000000 -1.5803340 0.0709098 0.0000000 0.0919807 -2.3225829 9 Te -3.3156600 0.0000000 0.0000000 0.0000000 -1.5803340 -0.0709098 0.0000000 -0.0919807 -2.3225829 10 Te -2.2814925 0.0000000 0.0000000 0.0000000 -1.1070974 0.0000000 0.0000000 0.0000000 -3.5775918 11 Te -3.3156600 0.0000000 0.0000000 0.0000000 -1.5803340 -0.0709098 0.0000000 -0.0919807 -2.3225829 12 Te -3.3156600 0.0000000 0.0000000 0.0000000 -1.5803340 0.0709098 0.0000000 0.0919807 -2.3225829 ---------------------------------------------------------------------------- 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): 0.007 Solver_block: 100 / 240 - Time: 1.626 Solver_block: 200 / 240 - Time: 1.646 Solver_block: 240 / 240 - Time: 0.732 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.034 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:56:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:56:52]------------------------- 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 2.179314640000000 -8.382397279999999 0.000000000000000 b 2.179314640000000 8.382397279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.521169989999999 Atomic positions (fractional): 1 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 2 Tb 0.50000000000000 0.50000000000000 0.00000000000000 158.925 3 Cs 0.24695097283568 0.75304902716432 0.75000000000000 132.905 4 Cs 0.75304902716432 0.24695097283567 0.25000000000000 132.905 5 Zn 0.96352686939459 0.03647313060541 0.75000000000000 65.380 6 Zn 0.03647313060541 0.96352686939459 0.25000000000000 65.380 7 Te 0.43853572248241 0.56146427751759 0.25000000000000 127.600 8 Te 0.87793279773458 0.12206720226542 0.94142331692819 127.600 9 Te 0.87793279773458 0.12206720226542 0.55857668307181 127.600 10 Te 0.56146427751759 0.43853572248241 0.75000000000000 127.600 11 Te 0.12206720226542 0.87793279773458 0.44142331692819 127.600 12 Te 0.12206720226542 0.87793279773458 0.05857668307181 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.075887840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.764794559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 23.042339979999998 Atomic positions (fractional): 1 Tb 0.16666666666667 0.00000000000000 0.25000000000000 158.925 > 1 2 Tb 0.50000000000000 0.00000000000000 0.25000000000000 158.925 > 1 3 Tb 0.83333333333333 0.00000000000000 0.25000000000000 158.925 > 1 4 Tb 0.16666666666667 0.00000000000000 0.75000000000000 158.925 > 1 5 Tb 0.50000000000000 0.00000000000000 0.75000000000000 158.925 > 1 6 Tb 0.83333333333333 0.00000000000000 0.75000000000000 158.925 > 1 7 Tb 0.16666666666667 0.00000000000000 0.00000000000000 158.925 > 7 8 Tb 0.50000000000000 0.00000000000000 0.00000000000000 158.925 > 7 9 Tb 0.83333333333333 0.00000000000000 0.00000000000000 158.925 > 7 10 Tb 0.16666666666667 0.00000000000000 0.50000000000000 158.925 > 7 11 Tb 0.50000000000000 0.00000000000000 0.50000000000000 158.925 > 7 12 Tb 0.83333333333333 0.00000000000000 0.50000000000000 158.925 > 7 13 Tb 0.00000000000000 0.50000000000000 0.25000000000000 158.925 > 1 14 Tb 0.33333333333333 0.50000000000000 0.25000000000000 158.925 > 1 15 Tb 0.66666666666667 0.50000000000000 0.25000000000000 158.925 > 1 16 Tb 0.00000000000000 0.50000000000000 0.75000000000000 158.925 > 1 17 Tb 0.33333333333333 0.50000000000000 0.75000000000000 158.925 > 1 18 Tb 0.66666666666667 0.50000000000000 0.75000000000000 158.925 > 1 19 Tb 0.00000000000000 0.50000000000000 0.00000000000000 158.925 > 7 20 Tb 0.33333333333333 0.50000000000000 0.00000000000000 158.925 > 7 21 Tb 0.66666666666667 0.50000000000000 0.00000000000000 158.925 > 7 22 Tb 0.00000000000000 0.50000000000000 0.50000000000000 158.925 > 7 23 Tb 0.33333333333333 0.50000000000000 0.50000000000000 158.925 > 7 24 Tb 0.66666666666667 0.50000000000000 0.50000000000000 158.925 > 7 25 Cs 0.16666666666667 0.25304902716432 0.37500000000000 132.905 > 25 26 Cs 0.50000000000000 0.25304902716432 0.37500000000000 132.905 > 25 27 Cs 0.83333333333333 0.25304902716432 0.37500000000000 132.905 > 25 28 Cs 0.16666666666667 0.25304902716432 0.87500000000000 132.905 > 25 29 Cs 0.50000000000000 0.25304902716432 0.87500000000000 132.905 > 25 30 Cs 0.83333333333333 0.25304902716432 0.87500000000000 132.905 > 25 31 Cs 0.00000000000000 0.24695097283567 0.12500000000000 132.905 > 31 32 Cs 0.33333333333333 0.24695097283567 0.12500000000000 132.905 > 31 33 Cs 0.66666666666667 0.24695097283567 0.12500000000000 132.905 > 31 34 Cs 0.00000000000000 0.24695097283567 0.62500000000000 132.905 > 31 35 Cs 0.33333333333333 0.24695097283567 0.62500000000000 132.905 > 31 36 Cs 0.66666666666667 0.24695097283567 0.62500000000000 132.905 > 31 37 Cs 0.00000000000000 0.75304902716432 0.37500000000000 132.905 > 25 38 Cs 0.33333333333333 0.75304902716432 0.37500000000000 132.905 > 25 39 Cs 0.66666666666667 0.75304902716432 0.37500000000000 132.905 > 25 40 Cs 0.00000000000000 0.75304902716432 0.87500000000000 132.905 > 25 41 Cs 0.33333333333333 0.75304902716432 0.87500000000000 132.905 > 25 42 Cs 0.66666666666667 0.75304902716432 0.87500000000000 132.905 > 25 43 Cs 0.16666666666667 0.74695097283568 0.12500000000000 132.905 > 31 44 Cs 0.50000000000000 0.74695097283568 0.12500000000000 132.905 > 31 45 Cs 0.83333333333333 0.74695097283568 0.12500000000000 132.905 > 31 46 Cs 0.16666666666667 0.74695097283568 0.62500000000000 132.905 > 31 47 Cs 0.50000000000000 0.74695097283568 0.62500000000000 132.905 > 31 48 Cs 0.83333333333333 0.74695097283568 0.62500000000000 132.905 > 31 49 Zn 0.00000000000000 0.03647313060541 0.37500000000000 65.380 > 49 50 Zn 0.33333333333333 0.03647313060541 0.37500000000000 65.380 > 49 51 Zn 0.66666666666667 0.03647313060541 0.37500000000000 65.380 > 49 52 Zn 0.00000000000000 0.03647313060541 0.87500000000000 65.380 > 49 53 Zn 0.33333333333333 0.03647313060541 0.87500000000000 65.380 > 49 54 Zn 0.66666666666667 0.03647313060541 0.87500000000000 65.380 > 49 55 Zn 0.16666666666667 0.46352686939459 0.12500000000000 65.380 > 55 56 Zn 0.50000000000000 0.46352686939459 0.12500000000000 65.380 > 55 57 Zn 0.83333333333333 0.46352686939459 0.12500000000000 65.380 > 55 58 Zn 0.16666666666667 0.46352686939459 0.62500000000000 65.380 > 55 59 Zn 0.50000000000000 0.46352686939459 0.62500000000000 65.380 > 55 60 Zn 0.83333333333333 0.46352686939459 0.62500000000000 65.380 > 55 61 Zn 0.16666666666667 0.53647313060541 0.37500000000000 65.380 > 49 62 Zn 0.50000000000000 0.53647313060541 0.37500000000000 65.380 > 49 63 Zn 0.83333333333333 0.53647313060541 0.37500000000000 65.380 > 49 64 Zn 0.16666666666667 0.53647313060541 0.87500000000000 65.380 > 49 65 Zn 0.50000000000000 0.53647313060541 0.87500000000000 65.380 > 49 66 Zn 0.83333333333333 0.53647313060541 0.87500000000000 65.380 > 49 67 Zn 0.00000000000000 0.96352686939459 0.12500000000000 65.380 > 55 68 Zn 0.33333333333333 0.96352686939459 0.12500000000000 65.380 > 55 69 Zn 0.66666666666667 0.96352686939459 0.12500000000000 65.380 > 55 70 Zn 0.00000000000000 0.96352686939459 0.62500000000000 65.380 > 55 71 Zn 0.33333333333333 0.96352686939459 0.62500000000000 65.380 > 55 72 Zn 0.66666666666667 0.96352686939459 0.62500000000000 65.380 > 55 73 Te 0.16666666666667 0.06146427751759 0.12500000000000 127.600 > 73 74 Te 0.50000000000000 0.06146427751759 0.12500000000000 127.600 > 73 75 Te 0.83333333333333 0.06146427751759 0.12500000000000 127.600 > 73 76 Te 0.16666666666667 0.06146427751759 0.62500000000000 127.600 > 73 77 Te 0.50000000000000 0.06146427751759 0.62500000000000 127.600 > 73 78 Te 0.83333333333333 0.06146427751759 0.62500000000000 127.600 > 73 79 Te 0.00000000000000 0.12206720226542 0.47071165846410 127.600 > 79 80 Te 0.33333333333333 0.12206720226542 0.47071165846410 127.600 > 79 81 Te 0.66666666666667 0.12206720226542 0.47071165846410 127.600 > 79 82 Te 0.00000000000000 0.12206720226542 0.97071165846410 127.600 > 79 83 Te 0.33333333333333 0.12206720226542 0.97071165846410 127.600 > 79 84 Te 0.66666666666667 0.12206720226542 0.97071165846410 127.600 > 79 85 Te 0.00000000000000 0.12206720226542 0.27928834153590 127.600 > 85 86 Te 0.33333333333333 0.12206720226542 0.27928834153590 127.600 > 85 87 Te 0.66666666666667 0.12206720226542 0.27928834153590 127.600 > 85 88 Te 0.00000000000000 0.12206720226542 0.77928834153590 127.600 > 85 89 Te 0.33333333333333 0.12206720226542 0.77928834153590 127.600 > 85 90 Te 0.66666666666667 0.12206720226542 0.77928834153590 127.600 > 85 91 Te 0.00000000000000 0.43853572248241 0.37500000000000 127.600 > 91 92 Te 0.33333333333333 0.43853572248241 0.37500000000000 127.600 > 91 93 Te 0.66666666666667 0.43853572248241 0.37500000000000 127.600 > 91 94 Te 0.00000000000000 0.43853572248241 0.87500000000000 127.600 > 91 95 Te 0.33333333333333 0.43853572248241 0.87500000000000 127.600 > 91 96 Te 0.66666666666667 0.43853572248241 0.87500000000000 127.600 > 91 97 Te 0.16666666666667 0.37793279773458 0.22071165846410 127.600 > 97 98 Te 0.50000000000000 0.37793279773458 0.22071165846410 127.600 > 97 99 Te 0.83333333333333 0.37793279773458 0.22071165846410 127.600 > 97 100 Te 0.16666666666667 0.37793279773458 0.72071165846410 127.600 > 97 101 Te 0.50000000000000 0.37793279773458 0.72071165846410 127.600 > 97 102 Te 0.83333333333333 0.37793279773458 0.72071165846410 127.600 > 97 103 Te 0.16666666666667 0.37793279773458 0.02928834153590 127.600 > 103 104 Te 0.50000000000000 0.37793279773458 0.02928834153590 127.600 > 103 105 Te 0.83333333333333 0.37793279773458 0.02928834153590 127.600 > 103 106 Te 0.16666666666667 0.37793279773458 0.52928834153590 127.600 > 103 107 Te 0.50000000000000 0.37793279773458 0.52928834153590 127.600 > 103 108 Te 0.83333333333333 0.37793279773458 0.52928834153590 127.600 > 103 109 Te 0.00000000000000 0.56146427751759 0.12500000000000 127.600 > 73 110 Te 0.33333333333333 0.56146427751759 0.12500000000000 127.600 > 73 111 Te 0.66666666666667 0.56146427751759 0.12500000000000 127.600 > 73 112 Te 0.00000000000000 0.56146427751759 0.62500000000000 127.600 > 73 113 Te 0.33333333333333 0.56146427751759 0.62500000000000 127.600 > 73 114 Te 0.66666666666667 0.56146427751759 0.62500000000000 127.600 > 73 115 Te 0.16666666666667 0.62206720226542 0.47071165846410 127.600 > 79 116 Te 0.50000000000000 0.62206720226542 0.47071165846410 127.600 > 79 117 Te 0.83333333333333 0.62206720226542 0.47071165846410 127.600 > 79 118 Te 0.16666666666667 0.62206720226542 0.97071165846410 127.600 > 79 119 Te 0.50000000000000 0.62206720226542 0.97071165846410 127.600 > 79 120 Te 0.83333333333333 0.62206720226542 0.97071165846410 127.600 > 79 121 Te 0.16666666666667 0.62206720226542 0.27928834153590 127.600 > 85 122 Te 0.50000000000000 0.62206720226542 0.27928834153590 127.600 > 85 123 Te 0.83333333333333 0.62206720226542 0.27928834153590 127.600 > 85 124 Te 0.16666666666667 0.62206720226542 0.77928834153590 127.600 > 85 125 Te 0.50000000000000 0.62206720226542 0.77928834153590 127.600 > 85 126 Te 0.83333333333333 0.62206720226542 0.77928834153590 127.600 > 85 127 Te 0.16666666666667 0.93853572248241 0.37500000000000 127.600 > 91 128 Te 0.50000000000000 0.93853572248241 0.37500000000000 127.600 > 91 129 Te 0.83333333333333 0.93853572248241 0.37500000000000 127.600 > 91 130 Te 0.16666666666667 0.93853572248241 0.87500000000000 127.600 > 91 131 Te 0.50000000000000 0.93853572248241 0.87500000000000 127.600 > 91 132 Te 0.83333333333333 0.93853572248241 0.87500000000000 127.600 > 91 133 Te 0.00000000000000 0.87793279773458 0.22071165846410 127.600 > 97 134 Te 0.33333333333333 0.87793279773458 0.22071165846410 127.600 > 97 135 Te 0.66666666666667 0.87793279773458 0.22071165846410 127.600 > 97 136 Te 0.00000000000000 0.87793279773458 0.72071165846410 127.600 > 97 137 Te 0.33333333333333 0.87793279773458 0.72071165846410 127.600 > 97 138 Te 0.66666666666667 0.87793279773458 0.72071165846410 127.600 > 97 139 Te 0.00000000000000 0.87793279773458 0.02928834153590 127.600 > 103 140 Te 0.33333333333333 0.87793279773458 0.02928834153590 127.600 > 103 141 Te 0.66666666666667 0.87793279773458 0.02928834153590 127.600 > 103 142 Te 0.00000000000000 0.87793279773458 0.52928834153590 127.600 > 103 143 Te 0.33333333333333 0.87793279773458 0.52928834153590 127.600 > 103 144 Te 0.66666666666667 0.87793279773458 0.52928834153590 127.600 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5339461 0.0000000 0.0000000 0.0000000 5.3267048 0.0000000 0.0000000 0.0000000 8.3459130 -------------------------- Born effective charges -------------------------- 1 Tb 5.5813091 0.0000000 0.0000000 0.0000000 1.5602065 0.4213906 0.0000000 0.5539618 4.9941224 2 Tb 5.5813091 0.0000000 0.0000000 0.0000000 1.5602065 -0.4213906 0.0000000 -0.5539618 4.9941224 3 Cs 1.2778439 0.0000000 0.0000000 0.0000000 2.0199998 0.0000000 0.0000000 0.0000000 1.3373814 4 Cs 1.2778439 0.0000000 0.0000000 0.0000000 2.0199998 0.0000000 0.0000000 0.0000000 1.3373814 5 Zn 2.0536596 0.0000000 0.0000000 0.0000000 0.6875592 0.0000000 0.0000000 0.0000000 1.8912537 6 Zn 2.0536596 0.0000000 0.0000000 0.0000000 0.6875592 0.0000000 0.0000000 0.0000000 1.8912537 7 Te -2.2814925 0.0000000 0.0000000 0.0000000 -1.1070974 0.0000000 0.0000000 0.0000000 -3.5775918 8 Te -3.3156600 0.0000000 0.0000000 0.0000000 -1.5803340 0.0709098 0.0000000 0.0919807 -2.3225829 9 Te -3.3156600 0.0000000 0.0000000 0.0000000 -1.5803340 -0.0709098 0.0000000 -0.0919807 -2.3225829 10 Te -2.2814925 0.0000000 0.0000000 0.0000000 -1.1070974 0.0000000 0.0000000 0.0000000 -3.5775918 11 Te -3.3156600 0.0000000 0.0000000 0.0000000 -1.5803340 -0.0709098 0.0000000 -0.0919807 -2.3225829 12 Te -3.3156600 0.0000000 0.0000000 0.0000000 -1.5803340 0.0709098 0.0000000 0.0919807 -2.3225829 ---------------------------------------------------------------------------- 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 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:57:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:57:12]------------------------- 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 2.179314640000000 -8.382397279999999 0.000000000000000 b 2.179314640000000 8.382397279999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.521169989999999 Atomic positions (fractional): 1 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 2 Tb 0.50000000000000 0.50000000000000 0.00000000000000 158.925 3 Cs 0.24695097283568 0.75304902716432 0.75000000000000 132.905 4 Cs 0.75304902716432 0.24695097283567 0.25000000000000 132.905 5 Zn 0.96352686939459 0.03647313060541 0.75000000000000 65.380 6 Zn 0.03647313060541 0.96352686939459 0.25000000000000 65.380 7 Te 0.43853572248241 0.56146427751759 0.25000000000000 127.600 8 Te 0.87793279773458 0.12206720226542 0.94142331692819 127.600 9 Te 0.87793279773458 0.12206720226542 0.55857668307181 127.600 10 Te 0.56146427751759 0.43853572248241 0.75000000000000 127.600 11 Te 0.12206720226542 0.87793279773458 0.44142331692819 127.600 12 Te 0.12206720226542 0.87793279773458 0.05857668307181 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.075887840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.764794559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 23.042339979999998 Atomic positions (fractional): 1 Tb 0.16666666666667 0.00000000000000 0.25000000000000 158.925 > 1 2 Tb 0.50000000000000 0.00000000000000 0.25000000000000 158.925 > 1 3 Tb 0.83333333333333 0.00000000000000 0.25000000000000 158.925 > 1 4 Tb 0.16666666666667 0.00000000000000 0.75000000000000 158.925 > 1 5 Tb 0.50000000000000 0.00000000000000 0.75000000000000 158.925 > 1 6 Tb 0.83333333333333 0.00000000000000 0.75000000000000 158.925 > 1 7 Tb 0.16666666666667 0.00000000000000 0.00000000000000 158.925 > 7 8 Tb 0.50000000000000 0.00000000000000 0.00000000000000 158.925 > 7 9 Tb 0.83333333333333 0.00000000000000 0.00000000000000 158.925 > 7 10 Tb 0.16666666666667 0.00000000000000 0.50000000000000 158.925 > 7 11 Tb 0.50000000000000 0.00000000000000 0.50000000000000 158.925 > 7 12 Tb 0.83333333333333 0.00000000000000 0.50000000000000 158.925 > 7 13 Tb 0.00000000000000 0.50000000000000 0.25000000000000 158.925 > 1 14 Tb 0.33333333333333 0.50000000000000 0.25000000000000 158.925 > 1 15 Tb 0.66666666666667 0.50000000000000 0.25000000000000 158.925 > 1 16 Tb 0.00000000000000 0.50000000000000 0.75000000000000 158.925 > 1 17 Tb 0.33333333333333 0.50000000000000 0.75000000000000 158.925 > 1 18 Tb 0.66666666666667 0.50000000000000 0.75000000000000 158.925 > 1 19 Tb 0.00000000000000 0.50000000000000 0.00000000000000 158.925 > 7 20 Tb 0.33333333333333 0.50000000000000 0.00000000000000 158.925 > 7 21 Tb 0.66666666666667 0.50000000000000 0.00000000000000 158.925 > 7 22 Tb 0.00000000000000 0.50000000000000 0.50000000000000 158.925 > 7 23 Tb 0.33333333333333 0.50000000000000 0.50000000000000 158.925 > 7 24 Tb 0.66666666666667 0.50000000000000 0.50000000000000 158.925 > 7 25 Cs 0.16666666666667 0.25304902716432 0.37500000000000 132.905 > 25 26 Cs 0.50000000000000 0.25304902716432 0.37500000000000 132.905 > 25 27 Cs 0.83333333333333 0.25304902716432 0.37500000000000 132.905 > 25 28 Cs 0.16666666666667 0.25304902716432 0.87500000000000 132.905 > 25 29 Cs 0.50000000000000 0.25304902716432 0.87500000000000 132.905 > 25 30 Cs 0.83333333333333 0.25304902716432 0.87500000000000 132.905 > 25 31 Cs 0.00000000000000 0.24695097283567 0.12500000000000 132.905 > 31 32 Cs 0.33333333333333 0.24695097283567 0.12500000000000 132.905 > 31 33 Cs 0.66666666666667 0.24695097283567 0.12500000000000 132.905 > 31 34 Cs 0.00000000000000 0.24695097283567 0.62500000000000 132.905 > 31 35 Cs 0.33333333333333 0.24695097283567 0.62500000000000 132.905 > 31 36 Cs 0.66666666666667 0.24695097283567 0.62500000000000 132.905 > 31 37 Cs 0.00000000000000 0.75304902716432 0.37500000000000 132.905 > 25 38 Cs 0.33333333333333 0.75304902716432 0.37500000000000 132.905 > 25 39 Cs 0.66666666666667 0.75304902716432 0.37500000000000 132.905 > 25 40 Cs 0.00000000000000 0.75304902716432 0.87500000000000 132.905 > 25 41 Cs 0.33333333333333 0.75304902716432 0.87500000000000 132.905 > 25 42 Cs 0.66666666666667 0.75304902716432 0.87500000000000 132.905 > 25 43 Cs 0.16666666666667 0.74695097283568 0.12500000000000 132.905 > 31 44 Cs 0.50000000000000 0.74695097283568 0.12500000000000 132.905 > 31 45 Cs 0.83333333333333 0.74695097283568 0.12500000000000 132.905 > 31 46 Cs 0.16666666666667 0.74695097283568 0.62500000000000 132.905 > 31 47 Cs 0.50000000000000 0.74695097283568 0.62500000000000 132.905 > 31 48 Cs 0.83333333333333 0.74695097283568 0.62500000000000 132.905 > 31 49 Zn 0.00000000000000 0.03647313060541 0.37500000000000 65.380 > 49 50 Zn 0.33333333333333 0.03647313060541 0.37500000000000 65.380 > 49 51 Zn 0.66666666666667 0.03647313060541 0.37500000000000 65.380 > 49 52 Zn 0.00000000000000 0.03647313060541 0.87500000000000 65.380 > 49 53 Zn 0.33333333333333 0.03647313060541 0.87500000000000 65.380 > 49 54 Zn 0.66666666666667 0.03647313060541 0.87500000000000 65.380 > 49 55 Zn 0.16666666666667 0.46352686939459 0.12500000000000 65.380 > 55 56 Zn 0.50000000000000 0.46352686939459 0.12500000000000 65.380 > 55 57 Zn 0.83333333333333 0.46352686939459 0.12500000000000 65.380 > 55 58 Zn 0.16666666666667 0.46352686939459 0.62500000000000 65.380 > 55 59 Zn 0.50000000000000 0.46352686939459 0.62500000000000 65.380 > 55 60 Zn 0.83333333333333 0.46352686939459 0.62500000000000 65.380 > 55 61 Zn 0.16666666666667 0.53647313060541 0.37500000000000 65.380 > 49 62 Zn 0.50000000000000 0.53647313060541 0.37500000000000 65.380 > 49 63 Zn 0.83333333333333 0.53647313060541 0.37500000000000 65.380 > 49 64 Zn 0.16666666666667 0.53647313060541 0.87500000000000 65.380 > 49 65 Zn 0.50000000000000 0.53647313060541 0.87500000000000 65.380 > 49 66 Zn 0.83333333333333 0.53647313060541 0.87500000000000 65.380 > 49 67 Zn 0.00000000000000 0.96352686939459 0.12500000000000 65.380 > 55 68 Zn 0.33333333333333 0.96352686939459 0.12500000000000 65.380 > 55 69 Zn 0.66666666666667 0.96352686939459 0.12500000000000 65.380 > 55 70 Zn 0.00000000000000 0.96352686939459 0.62500000000000 65.380 > 55 71 Zn 0.33333333333333 0.96352686939459 0.62500000000000 65.380 > 55 72 Zn 0.66666666666667 0.96352686939459 0.62500000000000 65.380 > 55 73 Te 0.16666666666667 0.06146427751759 0.12500000000000 127.600 > 73 74 Te 0.50000000000000 0.06146427751759 0.12500000000000 127.600 > 73 75 Te 0.83333333333333 0.06146427751759 0.12500000000000 127.600 > 73 76 Te 0.16666666666667 0.06146427751759 0.62500000000000 127.600 > 73 77 Te 0.50000000000000 0.06146427751759 0.62500000000000 127.600 > 73 78 Te 0.83333333333333 0.06146427751759 0.62500000000000 127.600 > 73 79 Te 0.00000000000000 0.12206720226542 0.47071165846410 127.600 > 79 80 Te 0.33333333333333 0.12206720226542 0.47071165846410 127.600 > 79 81 Te 0.66666666666667 0.12206720226542 0.47071165846410 127.600 > 79 82 Te 0.00000000000000 0.12206720226542 0.97071165846410 127.600 > 79 83 Te 0.33333333333333 0.12206720226542 0.97071165846410 127.600 > 79 84 Te 0.66666666666667 0.12206720226542 0.97071165846410 127.600 > 79 85 Te 0.00000000000000 0.12206720226542 0.27928834153590 127.600 > 85 86 Te 0.33333333333333 0.12206720226542 0.27928834153590 127.600 > 85 87 Te 0.66666666666667 0.12206720226542 0.27928834153590 127.600 > 85 88 Te 0.00000000000000 0.12206720226542 0.77928834153590 127.600 > 85 89 Te 0.33333333333333 0.12206720226542 0.77928834153590 127.600 > 85 90 Te 0.66666666666667 0.12206720226542 0.77928834153590 127.600 > 85 91 Te 0.00000000000000 0.43853572248241 0.37500000000000 127.600 > 91 92 Te 0.33333333333333 0.43853572248241 0.37500000000000 127.600 > 91 93 Te 0.66666666666667 0.43853572248241 0.37500000000000 127.600 > 91 94 Te 0.00000000000000 0.43853572248241 0.87500000000000 127.600 > 91 95 Te 0.33333333333333 0.43853572248241 0.87500000000000 127.600 > 91 96 Te 0.66666666666667 0.43853572248241 0.87500000000000 127.600 > 91 97 Te 0.16666666666667 0.37793279773458 0.22071165846410 127.600 > 97 98 Te 0.50000000000000 0.37793279773458 0.22071165846410 127.600 > 97 99 Te 0.83333333333333 0.37793279773458 0.22071165846410 127.600 > 97 100 Te 0.16666666666667 0.37793279773458 0.72071165846410 127.600 > 97 101 Te 0.50000000000000 0.37793279773458 0.72071165846410 127.600 > 97 102 Te 0.83333333333333 0.37793279773458 0.72071165846410 127.600 > 97 103 Te 0.16666666666667 0.37793279773458 0.02928834153590 127.600 > 103 104 Te 0.50000000000000 0.37793279773458 0.02928834153590 127.600 > 103 105 Te 0.83333333333333 0.37793279773458 0.02928834153590 127.600 > 103 106 Te 0.16666666666667 0.37793279773458 0.52928834153590 127.600 > 103 107 Te 0.50000000000000 0.37793279773458 0.52928834153590 127.600 > 103 108 Te 0.83333333333333 0.37793279773458 0.52928834153590 127.600 > 103 109 Te 0.00000000000000 0.56146427751759 0.12500000000000 127.600 > 73 110 Te 0.33333333333333 0.56146427751759 0.12500000000000 127.600 > 73 111 Te 0.66666666666667 0.56146427751759 0.12500000000000 127.600 > 73 112 Te 0.00000000000000 0.56146427751759 0.62500000000000 127.600 > 73 113 Te 0.33333333333333 0.56146427751759 0.62500000000000 127.600 > 73 114 Te 0.66666666666667 0.56146427751759 0.62500000000000 127.600 > 73 115 Te 0.16666666666667 0.62206720226542 0.47071165846410 127.600 > 79 116 Te 0.50000000000000 0.62206720226542 0.47071165846410 127.600 > 79 117 Te 0.83333333333333 0.62206720226542 0.47071165846410 127.600 > 79 118 Te 0.16666666666667 0.62206720226542 0.97071165846410 127.600 > 79 119 Te 0.50000000000000 0.62206720226542 0.97071165846410 127.600 > 79 120 Te 0.83333333333333 0.62206720226542 0.97071165846410 127.600 > 79 121 Te 0.16666666666667 0.62206720226542 0.27928834153590 127.600 > 85 122 Te 0.50000000000000 0.62206720226542 0.27928834153590 127.600 > 85 123 Te 0.83333333333333 0.62206720226542 0.27928834153590 127.600 > 85 124 Te 0.16666666666667 0.62206720226542 0.77928834153590 127.600 > 85 125 Te 0.50000000000000 0.62206720226542 0.77928834153590 127.600 > 85 126 Te 0.83333333333333 0.62206720226542 0.77928834153590 127.600 > 85 127 Te 0.16666666666667 0.93853572248241 0.37500000000000 127.600 > 91 128 Te 0.50000000000000 0.93853572248241 0.37500000000000 127.600 > 91 129 Te 0.83333333333333 0.93853572248241 0.37500000000000 127.600 > 91 130 Te 0.16666666666667 0.93853572248241 0.87500000000000 127.600 > 91 131 Te 0.50000000000000 0.93853572248241 0.87500000000000 127.600 > 91 132 Te 0.83333333333333 0.93853572248241 0.87500000000000 127.600 > 91 133 Te 0.00000000000000 0.87793279773458 0.22071165846410 127.600 > 97 134 Te 0.33333333333333 0.87793279773458 0.22071165846410 127.600 > 97 135 Te 0.66666666666667 0.87793279773458 0.22071165846410 127.600 > 97 136 Te 0.00000000000000 0.87793279773458 0.72071165846410 127.600 > 97 137 Te 0.33333333333333 0.87793279773458 0.72071165846410 127.600 > 97 138 Te 0.66666666666667 0.87793279773458 0.72071165846410 127.600 > 97 139 Te 0.00000000000000 0.87793279773458 0.02928834153590 127.600 > 103 140 Te 0.33333333333333 0.87793279773458 0.02928834153590 127.600 > 103 141 Te 0.66666666666667 0.87793279773458 0.02928834153590 127.600 > 103 142 Te 0.00000000000000 0.87793279773458 0.52928834153590 127.600 > 103 143 Te 0.33333333333333 0.87793279773458 0.52928834153590 127.600 > 103 144 Te 0.66666666666667 0.87793279773458 0.52928834153590 127.600 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.5339461 0.0000000 0.0000000 0.0000000 5.3267048 0.0000000 0.0000000 0.0000000 8.3459130 -------------------------- Born effective charges -------------------------- 1 Tb 5.5813091 0.0000000 0.0000000 0.0000000 1.5602065 0.4213906 0.0000000 0.5539618 4.9941224 2 Tb 5.5813091 0.0000000 0.0000000 0.0000000 1.5602065 -0.4213906 0.0000000 -0.5539618 4.9941224 3 Cs 1.2778439 0.0000000 0.0000000 0.0000000 2.0199998 0.0000000 0.0000000 0.0000000 1.3373814 4 Cs 1.2778439 0.0000000 0.0000000 0.0000000 2.0199998 0.0000000 0.0000000 0.0000000 1.3373814 5 Zn 2.0536596 0.0000000 0.0000000 0.0000000 0.6875592 0.0000000 0.0000000 0.0000000 1.8912537 6 Zn 2.0536596 0.0000000 0.0000000 0.0000000 0.6875592 0.0000000 0.0000000 0.0000000 1.8912537 7 Te -2.2814925 0.0000000 0.0000000 0.0000000 -1.1070974 0.0000000 0.0000000 0.0000000 -3.5775918 8 Te -3.3156600 0.0000000 0.0000000 0.0000000 -1.5803340 0.0709098 0.0000000 0.0919807 -2.3225829 9 Te -3.3156600 0.0000000 0.0000000 0.0000000 -1.5803340 -0.0709098 0.0000000 -0.0919807 -2.3225829 10 Te -2.2814925 0.0000000 0.0000000 0.0000000 -1.1070974 0.0000000 0.0000000 0.0000000 -3.5775918 11 Te -3.3156600 0.0000000 0.0000000 0.0000000 -1.5803340 -0.0709098 0.0000000 -0.0919807 -2.3225829 12 Te -3.3156600 0.0000000 0.0000000 0.0000000 -1.5803340 0.0709098 0.0000000 0.0919807 -2.3225829 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 4 ] 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: 0.55, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.684 ( 0.000 0.000 0.000) 0.000 1.081 ( 0.000 0.000 0.000) 0.000 1.184 ( 0.000 0.000 0.000) 0.000 1.275 ( 0.000 0.000 0.000) 0.000 1.287 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.642 ( 0.000 0.000 0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.680 ( 0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 1.939 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.579 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.575 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 15.902 1.600 0.000) 15.983 0.310 ( 15.827 -0.436 0.000) 15.833 0.534 ( 25.392 -6.065 0.000) 26.107 0.743 ( 5.716 -0.059 0.000) 5.717 1.038 ( -2.774 0.836 0.000) 2.898 1.205 ( 1.791 -0.225 0.000) 1.805 1.301 ( 3.190 1.007 0.000) 3.345 1.403 ( 10.800 1.791 0.000) 10.948 1.524 ( 0.449 2.143 0.000) 2.190 1.631 ( -3.427 -1.046 0.000) 3.583 1.671 ( 1.474 1.508 0.000) 2.109 1.696 ( 0.735 -1.735 0.000) 1.884 1.734 ( -2.138 0.121 0.000) 2.141 1.783 ( 5.580 3.030 0.000) 6.349 1.796 ( -0.021 -0.033 0.000) 0.039 1.884 ( 6.326 -1.985 0.000) 6.630 1.940 ( -0.517 -2.873 0.000) 2.919 2.787 ( 3.642 -0.052 0.000) 3.642 2.798 ( -2.948 -0.399 0.000) 2.975 2.975 ( 3.944 -0.024 0.000) 3.944 3.044 ( 0.531 -0.041 0.000) 0.532 3.268 ( 6.078 0.022 0.000) 6.078 3.313 ( -4.144 0.075 0.000) 4.144 3.553 ( -2.070 0.155 0.000) 2.076 3.621 ( 3.021 1.602 0.000) 3.419 3.676 ( -2.359 0.129 0.000) 2.362 3.699 ( 2.236 0.037 0.000) 2.236 3.837 ( 3.012 -0.058 0.000) 3.012 3.970 ( -1.029 0.253 0.000) 1.059 4.038 ( -1.297 0.033 0.000) 1.298 4.214 ( -1.978 1.964 0.000) 2.787 4.603 ( -0.342 11.400 0.000) 11.405 4.899 ( -0.152 1.137 0.000) 1.147 5.440 ( -6.106 -3.544 0.000) 7.060 5.519 ( 0.487 1.619 0.000) 1.691 5.558 ( -1.933 -1.513 0.000) 2.455 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 16.576 3.482 0.000) 16.938 0.603 ( 14.356 -0.529 0.000) 14.366 0.880 ( 7.891 -0.105 0.000) 7.891 0.996 ( -0.570 1.766 0.000) 1.856 1.009 ( 20.473 -5.362 0.000) 21.163 1.245 ( 2.266 -0.688 0.000) 2.368 1.397 ( 7.969 2.669 0.000) 8.405 1.493 ( -1.658 4.557 0.000) 4.849 1.543 ( -4.637 -0.588 0.000) 4.674 1.617 ( 5.410 0.651 0.000) 5.449 1.691 ( 1.330 2.355 0.000) 2.704 1.706 ( 4.081 -0.095 0.000) 4.082 1.710 ( -0.919 -4.819 0.000) 4.906 1.797 ( 0.269 0.193 0.000) 0.331 1.899 ( 3.823 1.166 0.000) 3.997 1.957 ( 6.247 -1.474 0.000) 6.419 2.086 ( 11.000 -1.812 0.000) 11.148 2.745 ( -2.283 -0.554 0.000) 2.349 2.869 ( 4.359 -0.078 0.000) 4.360 3.042 ( -0.588 -0.082 0.000) 0.594 3.070 ( 5.168 -0.402 0.000) 5.183 3.235 ( -3.569 -0.055 0.000) 3.570 3.422 ( 8.977 0.076 0.000) 8.977 3.509 ( -2.301 0.056 0.000) 2.302 3.612 ( -4.053 0.090 0.000) 4.054 3.620 ( -1.491 0.028 0.000) 1.492 3.796 ( 6.030 1.156 0.000) 6.140 3.834 ( -3.949 -0.296 0.000) 3.960 3.946 ( -1.171 0.327 0.000) 1.216 4.005 ( -2.003 0.094 0.000) 2.005 4.202 ( 2.423 0.687 0.000) 2.518 4.514 ( -4.526 4.913 0.000) 6.680 4.887 ( -0.239 2.024 0.000) 2.038 5.302 ( -9.280 -1.577 0.000) 9.413 5.498 ( -2.424 0.590 0.000) 2.495 5.543 ( 0.300 -0.452 0.000) 0.543 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 10.789 -0.313 0.000) 10.793 0.869 ( 14.421 5.655 0.000) 15.491 0.983 ( 2.850 2.206 0.000) 3.604 1.046 ( 6.006 -1.481 0.000) 6.186 1.289 ( 4.992 -0.677 0.000) 5.037 1.356 ( 10.280 -4.475 0.000) 11.211 1.438 ( -1.317 3.425 0.000) 3.670 1.443 ( -5.194 -0.948 0.000) 5.280 1.515 ( 3.015 6.331 0.000) 7.013 1.579 ( -4.343 -1.258 0.000) 4.521 1.700 ( -0.510 0.296 0.000) 0.590 1.779 ( 9.755 -6.028 0.000) 11.468 1.799 ( 0.606 0.586 0.000) 0.843 1.924 ( -0.336 -2.253 0.000) 2.278 1.928 ( 12.722 1.037 0.000) 12.765 2.142 ( 9.868 -1.535 0.000) 9.987 2.283 ( 7.749 -0.333 0.000) 7.756 2.723 ( -0.250 -0.173 0.000) 0.304 2.932 ( 1.660 0.044 0.000) 1.660 3.037 ( 0.503 -0.067 0.000) 0.507 3.141 ( 1.026 -0.284 0.000) 1.064 3.197 ( 0.076 -0.286 0.000) 0.296 3.474 ( -0.879 0.042 0.000) 0.880 3.534 ( -3.716 -0.086 0.000) 3.717 3.576 ( 6.586 0.065 0.000) 6.586 3.588 ( -1.715 0.103 0.000) 1.718 3.705 ( -6.882 0.160 0.000) 6.884 3.905 ( 4.361 0.657 0.000) 4.410 3.928 ( -0.498 0.201 0.000) 0.537 3.966 ( -1.894 0.103 0.000) 1.897 4.277 ( 4.747 0.522 0.000) 4.776 4.394 ( -5.759 2.138 0.000) 6.143 4.870 ( -0.466 2.372 0.000) 2.417 5.115 ( -10.563 -1.037 0.000) 10.614 5.442 ( -3.070 -0.596 0.000) 3.128 5.558 ( 1.105 0.681 0.000) 1.298 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 2.513 0.925 0.000) 2.678 1.054 ( 7.262 6.528 0.000) 9.765 1.056 ( 3.651 -0.543 0.000) 3.691 1.131 ( 2.223 -1.231 0.000) 2.542 1.372 ( 3.157 2.400 0.000) 3.966 1.399 ( 1.364 -0.108 0.000) 1.368 1.406 ( -2.565 -1.585 0.000) 3.015 1.469 ( 5.061 3.200 0.000) 5.988 1.505 ( -3.875 -2.073 0.000) 4.395 1.597 ( 6.577 -1.128 0.000) 6.673 1.678 ( -0.008 -1.509 0.000) 1.509 1.807 ( 0.342 0.379 0.000) 0.510 1.900 ( -3.663 -3.610 0.000) 5.143 2.064 ( 14.102 -2.810 0.000) 14.379 2.127 ( 7.982 0.907 0.000) 8.033 2.304 ( 4.671 -0.884 0.000) 4.754 2.364 ( 1.642 -0.752 0.000) 1.806 2.733 ( 1.131 0.239 0.000) 1.156 2.926 ( -1.976 0.226 0.000) 1.989 3.076 ( 3.798 0.088 0.000) 3.799 3.103 ( -3.955 -0.277 0.000) 3.964 3.251 ( 4.980 -0.371 0.000) 4.993 3.484 ( -1.469 -0.190 0.000) 1.481 3.487 ( 2.147 0.346 0.000) 2.174 3.556 ( -1.379 0.580 0.000) 1.496 3.604 ( -3.492 0.114 0.000) 3.494 3.666 ( 2.934 -0.055 0.000) 2.934 3.921 ( -0.356 0.026 0.000) 0.357 3.935 ( -1.255 0.015 0.000) 1.255 3.947 ( 0.341 0.291 0.000) 0.449 4.288 ( -4.274 0.672 0.000) 4.326 4.362 ( 4.184 0.392 0.000) 4.202 4.846 ( -0.993 2.070 0.000) 2.296 4.923 ( -9.538 -0.784 0.000) 9.571 5.393 ( -2.336 -0.718 0.000) 2.443 5.575 ( 0.946 0.722 0.000) 1.190 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -3.690 -0.884 0.000) 3.794 1.077 ( -1.015 3.875 0.000) 4.006 1.079 ( 0.965 0.338 0.000) 1.023 1.197 ( 3.155 0.035 0.000) 3.155 1.370 ( 0.989 -1.033 0.000) 1.430 1.433 ( 3.568 4.194 0.000) 5.506 1.434 ( -0.922 -0.783 0.000) 1.209 1.488 ( 2.568 -1.099 0.000) 2.793 1.533 ( -1.457 1.224 0.000) 1.903 1.658 ( 5.074 -2.999 0.000) 5.894 1.786 ( 3.724 -0.631 0.000) 3.777 1.807 ( -0.193 0.184 0.000) 0.267 1.839 ( -1.722 -3.011 0.000) 3.469 2.222 ( 2.761 0.462 0.000) 2.799 2.237 ( -0.829 2.109 0.000) 2.266 2.326 ( 4.047 -1.034 0.000) 4.177 2.419 ( 1.648 -2.686 0.000) 3.152 2.758 ( 1.365 0.104 0.000) 1.369 2.876 ( -2.398 0.216 0.000) 2.407 3.041 ( -2.179 -0.673 0.000) 2.280 3.168 ( 4.998 0.194 0.000) 5.002 3.362 ( 5.829 0.144 0.000) 5.831 3.472 ( -0.162 -0.112 0.000) 0.197 3.526 ( -1.716 0.549 0.000) 1.801 3.532 ( 2.252 0.698 0.000) 2.358 3.561 ( -1.222 -0.183 0.000) 1.235 3.697 ( 0.525 -0.138 0.000) 0.543 3.910 ( -0.758 -0.045 0.000) 0.759 3.918 ( -0.546 -0.048 0.000) 0.549 3.931 ( -1.378 -0.094 0.000) 1.381 4.224 ( -2.269 0.132 0.000) 2.273 4.435 ( 3.678 0.264 0.000) 3.688 4.751 ( -7.084 -0.395 0.000) 7.095 4.832 ( -0.785 1.101 0.000) 1.352 5.362 ( -1.203 -0.453 0.000) 1.285 5.586 ( 0.496 0.423 0.000) 0.651 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.000 -0.000 0.000) 0.000 1.045 ( 0.000 -0.000 0.000) 0.000 1.091 ( 0.000 -0.000 0.000) 0.000 1.227 ( 0.000 -0.000 0.000) 0.000 1.421 ( 0.000 -0.000 0.000) 0.000 1.421 ( -0.000 0.000 0.000) 0.000 1.432 ( 0.000 -0.000 0.000) 0.000 1.503 ( 0.000 -0.000 0.000) 0.000 1.526 ( 0.000 -0.000 0.000) 0.000 1.722 ( 0.000 -0.000 0.000) 0.000 1.788 ( 0.000 -0.000 0.000) 0.000 1.803 ( 0.000 -0.000 0.000) 0.000 1.878 ( 0.000 -0.000 0.000) 0.000 2.187 ( 0.000 -0.000 0.000) 0.000 2.245 ( 0.000 -0.000 0.000) 0.000 2.377 ( -0.000 -0.000 0.000) 0.000 2.446 ( 0.000 -0.000 0.000) 0.000 2.773 ( 0.000 -0.000 0.000) 0.000 2.850 ( 0.000 -0.000 0.000) 0.000 3.024 ( 0.000 -0.000 0.000) 0.000 3.224 ( 0.000 -0.000 0.000) 0.000 3.438 ( 0.000 -0.000 0.000) 0.000 3.472 ( 0.000 -0.000 0.000) 0.000 3.492 ( 0.000 -0.000 0.000) 0.000 3.549 ( 0.000 -0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 -0.000 0.000) 0.000 3.901 ( 0.000 -0.000 0.000) 0.000 3.913 ( 0.000 -0.000 0.000) 0.000 3.915 ( 0.000 -0.000 0.000) 0.000 4.201 ( 0.000 -0.000 0.000) 0.000 4.481 ( 0.000 -0.000 0.000) 0.000 4.671 ( 0.000 -0.000 0.000) 0.000 4.823 ( 0.000 -0.000 0.000) 0.000 5.351 ( 0.000 -0.000 0.000) 0.000 5.590 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/129) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 14.412 0.000 0.000) 14.412 0.610 ( 16.835 0.000 0.000) 16.835 0.880 ( 7.975 0.000 0.000) 7.975 0.979 ( 21.311 0.000 0.000) 21.311 1.005 ( -0.812 -0.000 0.000) 0.812 1.242 ( 2.080 0.000 0.000) 2.080 1.410 ( 8.117 0.000 0.000) 8.117 1.521 ( -1.073 -0.000 0.000) 1.073 1.540 ( -5.447 -0.000 0.000) 5.447 1.621 ( 5.138 0.000 0.000) 5.138 1.680 ( -2.070 -0.000 0.000) 2.070 1.704 ( 1.475 0.000 0.000) 1.475 1.706 ( 4.945 0.000 0.000) 4.945 1.798 ( 0.219 0.000 0.000) 0.219 1.905 ( 2.788 0.000 0.000) 2.788 1.949 ( 6.180 0.000 0.000) 6.180 2.076 ( 11.907 0.000 0.000) 11.907 2.742 ( -2.184 -0.000 0.000) 2.184 2.869 ( 4.377 0.000 0.000) 4.377 3.041 ( -0.587 -0.000 0.000) 0.587 3.068 ( 5.164 0.000 0.000) 5.164 3.234 ( -3.620 -0.000 0.000) 3.620 3.422 ( 8.979 0.000 0.000) 8.979 3.509 ( -2.306 -0.000 0.000) 2.306 3.613 ( -4.099 -0.000 0.000) 4.099 3.620 ( -1.586 -0.000 0.000) 1.586 3.802 ( 6.512 0.000 0.000) 6.512 3.832 ( -4.507 -0.000 0.000) 4.507 3.947 ( -1.221 -0.000 0.000) 1.221 4.005 ( -2.001 -0.000 0.000) 2.001 4.206 ( 2.242 0.000 0.000) 2.242 4.539 ( -6.158 -0.000 0.000) 6.158 4.899 ( -0.296 -0.000 0.000) 0.296 5.294 ( -8.841 -0.000 0.000) 8.841 5.501 ( -3.257 -0.000 0.000) 3.257 5.541 ( 1.113 0.000 0.000) 1.113 ======================= Grid point 15 (9/129) ======================= q-point: ( 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 11.117 -0.093 0.000) 11.117 0.913 ( 14.856 2.583 0.000) 15.079 1.004 ( 2.183 1.837 0.000) 2.853 1.030 ( 5.786 -1.578 0.000) 5.997 1.287 ( 5.269 0.620 0.000) 5.306 1.310 ( 9.564 -3.611 0.000) 10.222 1.437 ( -4.832 -0.361 0.000) 4.846 1.466 ( -0.497 1.539 0.000) 1.618 1.570 ( -4.641 -0.440 0.000) 4.662 1.587 ( 1.117 7.591 0.000) 7.672 1.668 ( 2.451 -6.464 0.000) 6.913 1.750 ( 8.354 -0.092 0.000) 8.354 1.803 ( 0.434 0.213 0.000) 0.484 1.904 ( -1.578 -1.375 0.000) 2.093 1.935 ( 12.738 0.364 0.000) 12.744 2.132 ( 10.048 -0.501 0.000) 10.060 2.280 ( 8.046 -0.152 0.000) 8.048 2.722 ( -0.018 -0.056 0.000) 0.059 2.932 ( 1.727 0.015 0.000) 1.727 3.037 ( 0.540 -0.025 0.000) 0.540 3.139 ( 1.173 -0.090 0.000) 1.176 3.195 ( 0.017 -0.104 0.000) 0.106 3.474 ( -0.851 0.028 0.000) 0.851 3.533 ( -3.776 -0.032 0.000) 3.776 3.576 ( 6.555 0.024 0.000) 6.555 3.588 ( -1.596 0.029 0.000) 1.597 3.706 ( -6.916 0.060 0.000) 6.916 3.909 ( 4.234 0.220 0.000) 4.240 3.929 ( -0.584 0.074 0.000) 0.589 3.966 ( -1.921 0.037 0.000) 1.921 4.281 ( 4.670 0.191 0.000) 4.673 4.409 ( -6.712 0.746 0.000) 6.753 4.887 ( -0.651 0.983 0.000) 1.180 5.108 ( -10.392 -0.450 0.000) 10.402 5.438 ( -3.158 -0.204 0.000) 3.164 5.563 ( 1.155 0.236 0.000) 1.179 ======================= Grid point 16 (10/129) ======================= q-point: ( 0.25 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 2.127 0.770 0.000) 2.262 1.050 ( 2.522 -0.670 0.000) 2.610 1.111 ( 6.449 4.585 0.000) 7.913 1.122 ( 3.681 -0.539 0.000) 3.721 1.378 ( 3.694 -0.467 0.000) 3.723 1.385 ( -0.267 -2.033 0.000) 2.050 1.398 ( 1.540 -0.064 0.000) 1.541 1.489 ( -3.978 -1.221 0.000) 4.161 1.518 ( 2.975 5.587 0.000) 6.329 1.592 ( 6.894 -0.486 0.000) 6.911 1.663 ( -1.466 -1.236 0.000) 1.918 1.810 ( 0.231 0.207 0.000) 0.310 1.861 ( -4.256 -3.768 0.000) 5.684 2.042 ( 15.794 -1.537 0.000) 15.869 2.134 ( 7.768 0.509 0.000) 7.784 2.298 ( 5.938 -0.371 0.000) 5.950 2.359 ( 0.440 -0.387 0.000) 0.585 2.735 ( 1.140 0.144 0.000) 1.149 2.927 ( -1.943 0.129 0.000) 1.947 3.077 ( 3.873 0.051 0.000) 3.873 3.101 ( -4.178 -0.179 0.000) 4.182 3.248 ( 5.136 -0.223 0.000) 5.141 3.483 ( -1.457 -0.111 0.000) 1.461 3.491 ( 2.332 0.254 0.000) 2.346 3.561 ( -1.257 0.300 0.000) 1.293 3.605 ( -3.546 0.053 0.000) 3.546 3.665 ( 2.878 -0.031 0.000) 2.879 3.921 ( -0.415 0.015 0.000) 0.416 3.935 ( -1.299 0.009 0.000) 1.299 3.950 ( 0.117 0.159 0.000) 0.198 4.293 ( -4.724 0.373 0.000) 4.739 4.365 ( 4.120 0.221 0.000) 4.126 4.864 ( -1.282 1.499 0.000) 1.973 4.916 ( -9.488 -0.738 0.000) 9.517 5.387 ( -2.241 -0.392 0.000) 2.275 5.581 ( 0.822 0.394 0.000) 0.912 ======================= Grid point 17 (11/129) ======================= q-point: ( 0.33 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -3.547 -0.359 0.000) 3.565 1.079 ( 0.926 -0.233 0.000) 0.955 1.113 ( -2.644 3.140 0.000) 4.105 1.198 ( 3.244 0.193 0.000) 3.250 1.360 ( 0.001 -0.881 0.000) 0.881 1.429 ( -1.117 -0.214 0.000) 1.137 1.468 ( 4.186 2.666 0.000) 4.963 1.476 ( 3.422 -1.127 0.000) 3.602 1.556 ( -2.211 3.045 0.000) 3.763 1.634 ( 4.922 -1.877 0.000) 5.268 1.773 ( 3.097 -1.721 0.000) 3.543 1.804 ( 0.569 -3.646 0.000) 3.690 1.808 ( -0.273 0.137 0.000) 0.305 2.226 ( 2.531 0.332 0.000) 2.552 2.265 ( 0.210 3.184 0.000) 3.191 2.317 ( 4.904 -0.846 0.000) 4.976 2.390 ( 1.133 -2.980 0.000) 3.188 2.759 ( 1.247 0.020 0.000) 1.247 2.878 ( -2.466 0.157 0.000) 2.471 3.035 ( -2.078 -0.480 0.000) 2.133 3.170 ( 4.973 0.140 0.000) 4.975 3.364 ( 6.046 0.115 0.000) 6.048 3.471 ( -0.102 -0.080 0.000) 0.129 3.531 ( -1.860 0.443 0.000) 1.912 3.537 ( 2.065 0.313 0.000) 2.088 3.560 ( -1.327 -0.004 0.000) 1.327 3.696 ( 0.537 -0.099 0.000) 0.546 3.909 ( -0.757 -0.034 0.000) 0.758 3.917 ( -0.549 -0.037 0.000) 0.551 3.930 ( -1.437 -0.070 0.000) 1.439 4.225 ( -2.382 0.092 0.000) 2.384 4.438 ( 3.598 0.187 0.000) 3.603 4.748 ( -7.090 -0.254 0.000) 7.095 4.842 ( -1.139 0.780 0.000) 1.380 5.358 ( -1.012 -0.321 0.000) 1.062 5.590 ( 0.307 0.300 0.000) 0.429 ======================= Grid point 18 (12/129) ======================= q-point: ( 0.42 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.948 0.781 0.000) 1.228 1.050 ( -1.692 0.869 0.000) 1.902 1.085 ( -0.820 -1.264 0.000) 1.506 1.229 ( 0.036 0.241 0.000) 0.244 1.390 ( 0.902 -3.501 0.000) 3.616 1.425 ( 0.971 0.792 0.000) 1.253 1.461 ( -3.939 2.958 0.000) 4.926 1.510 ( 0.407 1.485 0.000) 1.540 1.523 ( 0.250 -0.541 0.000) 0.596 1.711 ( 2.536 -2.240 0.000) 3.384 1.789 ( 0.381 0.437 0.000) 0.580 1.803 ( -0.084 0.032 0.000) 0.090 1.874 ( 0.443 -1.014 0.000) 1.106 2.201 ( -0.571 2.577 0.000) 2.639 2.245 ( -0.227 -0.000 0.000) 0.227 2.369 ( -0.847 -1.579 0.000) 1.792 2.447 ( 2.359 0.158 0.000) 2.364 2.772 ( -0.053 -0.083 0.000) 0.098 2.850 ( -0.129 0.001 0.000) 0.129 3.025 ( 0.518 0.081 0.000) 0.525 3.224 ( -0.148 -0.010 0.000) 0.149 3.438 ( -0.429 -0.018 0.000) 0.430 3.472 ( 0.054 0.009 0.000) 0.055 3.493 ( -0.049 0.259 0.000) 0.264 3.542 ( -0.737 -0.880 0.000) 1.148 3.561 ( 0.395 0.637 0.000) 0.749 3.699 ( 0.111 0.006 0.000) 0.111 3.901 ( 0.033 -0.001 0.000) 0.033 3.913 ( 0.037 -0.006 0.000) 0.038 3.915 ( 0.106 0.002 0.000) 0.106 4.201 ( -0.042 -0.002 0.000) 0.042 4.481 ( -0.208 -0.022 0.000) 0.209 4.671 ( 0.330 0.031 0.000) 0.332 4.822 ( -0.623 -0.006 0.000) 0.623 5.351 ( 0.241 0.000 0.000) 0.241 5.590 ( -0.219 0.001 0.000) 0.219 ======================= Grid point 19 (13/129) ======================= q-point: (-0.50 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 3.388 1.496 0.000) 3.704 1.040 ( -1.070 -3.301 0.000) 3.470 1.072 ( -0.330 -1.192 0.000) 1.237 1.198 ( -3.087 0.157 0.000) 3.091 1.370 ( -4.292 -2.540 0.000) 4.987 1.397 ( -1.062 -1.296 0.000) 1.676 1.445 ( 0.255 1.300 0.000) 1.325 1.497 ( -1.311 0.648 0.000) 1.462 1.533 ( 1.343 0.998 0.000) 1.673 1.692 ( -4.347 3.792 0.000) 5.769 1.785 ( -3.314 -0.814 0.000) 3.412 1.805 ( 0.079 -0.176 0.000) 0.193 1.857 ( 2.201 0.534 0.000) 2.265 2.218 ( -3.037 -0.473 0.000) 3.073 2.226 ( 0.836 -0.148 0.000) 0.849 2.336 ( -2.427 0.771 0.000) 2.546 2.443 ( -1.787 2.137 0.000) 2.786 2.757 ( -1.478 -0.194 0.000) 1.490 2.874 ( 2.317 -0.217 0.000) 2.327 3.048 ( 2.229 0.691 0.000) 2.334 3.166 ( -5.021 -0.197 0.000) 5.025 3.361 ( -5.605 -0.125 0.000) 5.607 3.473 ( 0.227 0.114 0.000) 0.254 3.520 ( 1.381 -0.540 0.000) 1.483 3.524 ( -2.010 -0.837 0.000) 2.178 3.564 ( 0.827 0.268 0.000) 0.869 3.698 ( -0.513 0.142 0.000) 0.532 3.910 ( 0.759 0.044 0.000) 0.760 3.918 ( 0.546 0.045 0.000) 0.548 3.932 ( 1.308 0.093 0.000) 1.311 4.223 ( 2.131 -0.140 0.000) 2.135 4.433 ( -3.767 -0.274 0.000) 3.777 4.756 ( 7.119 0.486 0.000) 7.136 4.821 ( 0.333 -1.177 0.000) 1.223 5.366 ( 1.441 0.470 0.000) 1.515 5.582 ( -0.730 -0.439 0.000) 0.852 ======================= Grid point 20 (14/129) ======================= q-point: (-0.42 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -2.778 -0.753 0.000) 2.878 0.987 ( -7.869 -6.636 0.000) 10.294 1.060 ( -4.871 0.166 0.000) 4.874 1.146 ( -0.879 1.699 0.000) 1.913 1.329 ( -2.438 -5.530 0.000) 6.044 1.400 ( -1.104 0.120 0.000) 1.111 1.411 ( 1.732 -0.365 0.000) 1.770 1.463 ( -5.732 1.403 0.000) 5.901 1.528 ( 3.826 2.350 0.000) 4.490 1.618 ( -6.793 2.936 0.000) 7.400 1.690 ( -0.054 1.060 0.000) 1.061 1.802 ( -0.505 -0.475 0.000) 0.693 1.925 ( 2.775 1.324 0.000) 3.074 2.096 ( -11.499 3.526 0.000) 12.027 2.116 ( -8.294 -1.089 0.000) 8.365 2.315 ( -3.226 1.389 0.000) 3.513 2.373 ( -3.292 0.977 0.000) 3.434 2.730 ( -1.069 -0.258 0.000) 1.099 2.923 ( 2.021 -0.265 0.000) 2.039 3.076 ( -3.698 -0.099 0.000) 3.699 3.106 ( 3.668 0.263 0.000) 3.677 3.255 ( -4.771 0.402 0.000) 4.788 3.484 ( -1.843 -0.219 0.000) 1.856 3.486 ( 1.487 0.217 0.000) 1.502 3.549 ( 1.509 -0.804 0.000) 1.710 3.602 ( 3.433 -0.156 0.000) 3.437 3.667 ( -3.009 0.065 0.000) 3.010 3.921 ( 0.274 -0.030 0.000) 0.276 3.935 ( 1.194 -0.018 0.000) 1.195 3.944 ( -0.679 -0.363 0.000) 0.770 4.280 ( 3.635 -0.817 0.000) 3.725 4.357 ( -4.285 -0.467 0.000) 4.310 4.825 ( 0.433 -2.077 0.000) 2.122 4.931 ( 9.814 0.646 0.000) 9.835 5.401 ( 2.500 0.908 0.000) 2.660 5.567 ( -1.149 -0.912 0.000) 1.467 ======================= Grid point 21 (15/129) ======================= q-point: (-0.33 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -13.332 -5.767 0.000) 14.526 0.856 ( -10.288 0.599 0.000) 10.306 0.962 ( -3.241 -2.095 0.000) 3.859 1.058 ( -7.001 1.029 0.000) 7.077 1.292 ( -4.439 -1.048 0.000) 4.561 1.351 ( -5.744 -4.395 0.000) 7.233 1.444 ( -6.794 2.503 0.000) 7.241 1.454 ( 5.658 1.224 0.000) 5.789 1.468 ( 0.007 -1.354 0.000) 1.354 1.595 ( 3.931 1.857 0.000) 4.348 1.690 ( -2.115 -0.879 0.000) 2.290 1.792 ( -0.865 -0.800 0.000) 1.179 1.843 ( -7.528 6.003 0.000) 9.628 1.915 ( -12.757 -1.541 0.000) 12.850 1.944 ( -1.445 1.762 0.000) 2.279 2.162 ( -9.644 2.355 0.000) 9.927 2.286 ( -7.243 0.228 0.000) 7.247 2.726 ( 0.635 0.279 0.000) 0.694 2.931 ( -1.543 -0.062 0.000) 1.544 3.038 ( -0.438 0.090 0.000) 0.448 3.145 ( -0.658 0.498 0.000) 0.825 3.200 ( -0.202 0.391 0.000) 0.440 3.474 ( 0.882 0.027 0.000) 0.883 3.535 ( 3.611 0.117 0.000) 3.613 3.575 ( -6.640 -0.087 0.000) 6.640 3.586 ( 1.951 -0.197 0.000) 1.961 3.703 ( 6.840 -0.206 0.000) 6.843 3.896 ( -4.650 -1.057 0.000) 4.769 3.925 ( 0.350 -0.275 0.000) 0.445 3.964 ( 1.846 -0.143 0.000) 1.851 4.271 ( -4.875 -0.710 0.000) 4.927 4.367 ( 3.994 -3.139 0.000) 5.080 4.844 ( 0.364 -2.675 0.000) 2.699 5.127 ( 10.810 1.125 0.000) 10.868 5.450 ( 2.913 0.940 0.000) 3.061 5.549 ( -1.012 -1.055 0.000) 1.462 ======================= Grid point 22 (16/129) ======================= q-point: (-0.25 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -14.858 -2.518 0.000) 15.070 0.610 ( -14.249 0.859 0.000) 14.275 0.882 ( -7.657 0.174 0.000) 7.659 0.972 ( -0.107 -2.877 0.000) 2.879 1.069 ( -18.434 5.796 0.000) 19.324 1.253 ( -2.726 0.521 0.000) 2.775 1.359 ( -6.444 -4.658 0.000) 7.952 1.451 ( 0.490 -3.134 0.000) 3.172 1.551 ( 2.350 0.825 0.000) 2.490 1.608 ( -5.853 -1.094 0.000) 5.954 1.662 ( -1.182 -3.180 0.000) 3.393 1.708 ( -2.017 0.245 0.000) 2.032 1.758 ( -1.342 4.215 0.000) 4.424 1.794 ( -0.309 -0.395 0.000) 0.501 1.886 ( -5.139 -1.149 0.000) 5.265 1.975 ( -6.753 2.007 0.000) 7.045 2.109 ( -9.119 2.689 0.000) 9.507 2.753 ( 2.530 0.933 0.000) 2.696 2.871 ( -4.311 0.134 0.000) 4.313 3.043 ( 0.593 0.145 0.000) 0.610 3.077 ( -5.169 0.930 0.000) 5.252 3.235 ( 3.416 0.032 0.000) 3.417 3.421 ( -8.969 -0.128 0.000) 8.970 3.508 ( 2.281 -0.095 0.000) 2.283 3.611 ( 3.923 -0.165 0.000) 3.927 3.619 ( 1.084 -0.197 0.000) 1.102 3.781 ( -5.854 -1.760 0.000) 6.113 3.837 ( 3.641 0.168 0.000) 3.645 3.941 ( 1.038 -0.563 0.000) 1.180 4.003 ( 2.008 -0.172 0.000) 2.015 4.193 ( -2.909 -1.156 0.000) 3.130 4.446 ( 0.527 -8.473 0.000) 8.490 4.866 ( 0.702 -2.061 0.000) 2.178 5.321 ( 10.041 1.977 0.000) 10.234 5.490 ( 0.890 -0.886 0.000) 1.256 5.549 ( 1.178 0.651 0.000) 1.346 ======================= Grid point 23 (17/129) ======================= q-point: (-0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( -12.188 3.192 0.000) 12.599 0.318 ( -15.570 1.024 0.000) 15.603 0.626 ( -22.113 11.012 0.000) 24.703 0.744 ( -5.755 0.083 0.000) 5.755 1.022 ( 3.302 -2.338 0.000) 4.046 1.209 ( -1.815 0.476 0.000) 1.876 1.284 ( -2.880 -2.350 0.000) 3.717 1.374 ( -11.477 -3.656 0.000) 12.045 1.488 ( 0.432 -4.701 0.000) 4.721 1.644 ( 3.191 1.090 0.000) 3.371 1.647 ( -1.805 -3.206 0.000) 3.679 1.708 ( -2.963 -1.125 0.000) 3.169 1.734 ( 1.848 0.384 0.000) 1.887 1.753 ( -6.711 -0.847 0.000) 6.765 1.796 ( 0.268 0.045 0.000) 0.271 1.913 ( -1.605 3.361 0.000) 3.724 1.982 ( 0.537 4.984 0.000) 5.013 2.788 ( -3.647 0.142 0.000) 3.650 2.805 ( 2.937 1.021 0.000) 3.109 2.975 ( -4.200 0.136 0.000) 4.202 3.045 ( -0.529 0.115 0.000) 0.542 3.268 ( -6.057 -0.058 0.000) 6.058 3.312 ( 3.975 -0.280 0.000) 3.985 3.548 ( 0.222 -1.086 0.000) 1.109 3.588 ( -6.068 -4.719 0.000) 7.687 3.674 ( 2.291 -0.364 0.000) 2.320 3.700 ( -1.072 0.385 0.000) 1.139 3.838 ( -3.003 0.135 0.000) 3.006 3.965 ( 0.969 -0.681 0.000) 1.184 4.037 ( 1.314 -0.103 0.000) 1.318 4.172 ( -4.318 -6.636 0.000) 7.917 4.441 ( -8.582 -16.756 0.000) 18.826 4.890 ( 1.105 -0.447 0.000) 1.192 5.484 ( 8.812 4.244 0.000) 9.781 5.498 ( -0.430 -2.322 0.000) 2.362 5.577 ( 1.850 2.038 0.000) 2.752 ======================= Grid point 24 (18/129) ======================= 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.047 ( 0.000 4.405 0.000) 4.405 0.147 ( 0.000 14.596 0.000) 14.596 0.202 ( 0.000 20.139 0.000) 20.139 0.685 ( 0.000 0.066 0.000) 0.066 1.080 ( -0.000 -0.139 0.000) 0.139 1.186 ( 0.000 0.383 0.000) 0.383 1.262 ( -0.000 -4.712 0.000) 4.712 1.269 ( -0.000 -1.115 0.000) 1.115 1.504 ( -0.000 -2.361 0.000) 2.361 1.637 ( -0.000 -1.130 0.000) 1.130 1.671 ( 0.000 1.224 0.000) 1.224 1.688 ( 0.000 1.417 0.000) 1.417 1.690 ( -0.000 -8.806 0.000) 8.806 1.753 ( -0.000 -0.408 0.000) 0.408 1.798 ( 0.000 0.406 0.000) 0.406 1.872 ( 0.000 7.530 0.000) 7.530 2.251 ( -0.000 -2.555 0.000) 2.555 2.749 ( 0.000 0.089 0.000) 0.089 2.830 ( 0.000 0.137 0.000) 0.137 2.936 ( -0.000 -0.145 0.000) 0.145 3.025 ( 0.000 0.150 0.000) 0.150 3.033 ( 0.000 0.088 0.000) 0.088 3.211 ( -0.000 -0.023 0.000) 0.023 3.364 ( -0.000 -0.117 0.000) 0.117 3.593 ( -0.000 -0.389 0.000) 0.389 3.695 ( 0.000 0.916 0.000) 0.916 3.698 ( -0.000 -0.321 0.000) 0.321 3.793 ( 0.000 0.038 0.000) 0.038 3.841 ( 0.000 0.027 0.000) 0.027 3.978 ( -0.000 -0.546 0.000) 0.546 4.051 ( -0.000 -0.048 0.000) 0.048 4.351 ( -0.000 -1.551 0.000) 1.551 4.905 ( 0.000 0.262 0.000) 0.262 5.505 ( -0.000 -2.139 0.000) 2.139 5.586 ( 0.000 1.910 0.000) 1.910 5.628 ( 0.000 0.055 0.000) 0.055 ======================= Grid point 27 (19/129) ======================= q-point: ( 0.17 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 1.910 0.000 0.000) 1.910 1.046 ( 2.138 0.000 0.000) 2.138 1.120 ( 4.274 0.000 0.000) 4.274 1.136 ( 6.000 0.000 0.000) 6.000 1.369 ( -1.071 -0.000 0.000) 1.071 1.378 ( 5.699 0.000 0.000) 5.699 1.398 ( 1.602 0.000 0.000) 1.602 1.482 ( -4.031 -0.000 0.000) 4.031 1.560 ( -0.130 -0.000 0.000) 0.130 1.578 ( 9.527 0.000 0.000) 9.527 1.658 ( -2.133 -0.000 0.000) 2.133 1.811 ( 0.191 0.000 0.000) 0.191 1.839 ( -4.481 -0.000 0.000) 4.481 2.034 ( 16.344 0.000 0.000) 16.344 2.136 ( 7.692 0.000 0.000) 7.692 2.296 ( 6.437 0.000 0.000) 6.437 2.357 ( 0.002 0.000 0.000) 0.002 2.735 ( 1.137 0.000 0.000) 1.137 2.928 ( -1.931 -0.000 0.000) 1.931 3.077 ( 3.900 0.000 0.000) 3.900 3.100 ( -4.262 -0.000 0.000) 4.262 3.247 ( 5.195 0.000 0.000) 5.195 3.482 ( -1.452 -0.000 0.000) 1.452 3.492 ( 2.391 0.000 0.000) 2.391 3.562 ( -1.204 -0.000 0.000) 1.204 3.605 ( -3.570 -0.000 0.000) 3.570 3.665 ( 2.858 0.000 0.000) 2.858 3.921 ( -0.437 -0.000 0.000) 0.437 3.935 ( -1.315 -0.000 0.000) 1.315 3.951 ( 0.040 0.000 0.000) 0.040 4.295 ( -4.886 -0.000 0.000) 4.886 4.366 ( 4.098 0.000 0.000) 4.098 4.872 ( -1.120 -0.000 0.000) 1.120 4.911 ( -9.744 -0.000 0.000) 9.744 5.385 ( -2.210 -0.000 0.000) 2.210 5.582 ( 0.781 0.000 0.000) 0.781 ======================= Grid point 28 (20/129) ======================= q-point: ( 0.25 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -3.309 -0.072 0.000) 3.310 1.077 ( 0.668 -0.186 0.000) 0.693 1.135 ( -3.566 1.200 0.000) 3.763 1.200 ( 3.301 0.109 0.000) 3.302 1.353 ( -0.255 -0.337 0.000) 0.423 1.429 ( -1.192 0.040 0.000) 1.192 1.467 ( 3.949 -0.524 0.000) 3.983 1.487 ( 5.002 1.067 0.000) 5.114 1.584 ( -3.301 2.106 0.000) 3.915 1.619 ( 2.975 -1.164 0.000) 3.194 1.760 ( 2.872 -0.248 0.000) 2.882 1.772 ( 3.475 -2.426 0.000) 4.238 1.809 ( -0.311 0.051 0.000) 0.315 2.229 ( 2.401 0.120 0.000) 2.404 2.294 ( 3.850 2.123 0.000) 4.397 2.311 ( 2.939 -0.156 0.000) 2.943 2.363 ( 0.276 -2.120 0.000) 2.138 2.759 ( 1.169 -0.005 0.000) 1.169 2.879 ( -2.505 0.057 0.000) 2.506 3.032 ( -1.997 -0.173 0.000) 2.004 3.171 ( 4.957 0.051 0.000) 4.957 3.365 ( 6.180 0.044 0.000) 6.180 3.471 ( -0.065 -0.029 0.000) 0.071 3.534 ( -1.914 0.208 0.000) 1.925 3.538 ( 1.626 0.019 0.000) 1.627 3.561 ( -1.092 0.043 0.000) 1.093 3.695 ( 0.545 -0.036 0.000) 0.546 3.909 ( -0.757 -0.012 0.000) 0.757 3.917 ( -0.552 -0.014 0.000) 0.552 3.929 ( -1.471 -0.026 0.000) 1.471 4.226 ( -2.446 0.032 0.000) 2.446 4.439 ( 3.550 0.067 0.000) 3.550 4.746 ( -7.097 -0.087 0.000) 7.098 4.847 ( -1.340 0.282 0.000) 1.369 5.355 ( -0.907 -0.116 0.000) 0.915 5.592 ( 0.204 0.108 0.000) 0.231 ======================= Grid point 29 (21/129) ======================= q-point: ( 0.33 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 1.824 0.911 0.000) 2.039 1.060 ( -2.844 0.923 0.000) 2.990 1.070 ( -1.536 -1.347 0.000) 2.043 1.231 ( 0.009 0.203 0.000) 0.203 1.360 ( -0.450 -2.247 0.000) 2.292 1.434 ( 1.762 0.894 0.000) 1.976 1.485 ( -4.759 1.771 0.000) 5.078 1.517 ( 0.335 -0.651 0.000) 0.732 1.529 ( 0.058 1.936 0.000) 1.937 1.682 ( 4.516 -3.135 0.000) 5.497 1.799 ( 1.317 1.591 0.000) 2.065 1.803 ( -0.143 0.032 0.000) 0.147 1.859 ( 0.380 -1.749 0.000) 1.789 2.232 ( -0.895 3.212 0.000) 3.335 2.245 ( -0.393 -0.000 0.000) 0.393 2.348 ( -1.103 -2.291 0.000) 2.543 2.449 ( 3.753 0.138 0.000) 3.755 2.772 ( -0.089 -0.081 0.000) 0.121 2.851 ( -0.223 0.001 0.000) 0.223 3.026 ( 0.897 0.080 0.000) 0.901 3.224 ( -0.257 -0.010 0.000) 0.257 3.437 ( -0.725 -0.018 0.000) 0.725 3.472 ( 0.093 0.009 0.000) 0.094 3.496 ( -0.083 0.322 0.000) 0.333 3.534 ( -0.926 -0.671 0.000) 1.144 3.566 ( 0.312 0.364 0.000) 0.479 3.699 ( 0.192 0.006 0.000) 0.192 3.901 ( 0.058 -0.001 0.000) 0.058 3.913 ( 0.065 -0.006 0.000) 0.065 3.915 ( 0.183 0.002 0.000) 0.183 4.201 ( -0.072 -0.002 0.000) 0.072 4.480 ( -0.359 -0.022 0.000) 0.360 4.672 ( 0.573 0.031 0.000) 0.573 4.822 ( -1.080 -0.006 0.000) 1.080 5.351 ( 0.417 0.000 0.000) 0.417 5.590 ( -0.379 0.001 0.000) 0.379 ======================= Grid point 30 (22/129) ======================= q-point: (-0.58 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 2.351 1.974 0.000) 3.070 1.014 ( -3.166 -1.990 0.000) 3.739 1.056 ( 1.140 -1.851 0.000) 2.174 1.199 ( -3.041 0.178 0.000) 3.046 1.331 ( -4.217 -3.881 0.000) 5.731 1.401 ( -1.738 0.862 0.000) 1.940 1.459 ( -1.160 1.440 0.000) 1.849 1.500 ( 0.499 0.029 0.000) 0.500 1.548 ( 1.479 1.810 0.000) 2.337 1.732 ( -3.649 4.064 0.000) 5.462 1.772 ( -2.382 -1.554 0.000) 2.844 1.803 ( -0.043 -0.122 0.000) 0.129 1.849 ( 2.011 -1.933 0.000) 2.790 2.213 ( -3.285 -0.353 0.000) 3.304 2.232 ( -0.023 1.154 0.000) 1.155 2.341 ( -0.475 0.266 0.000) 0.544 2.461 ( -1.712 1.397 0.000) 2.210 2.755 ( -1.560 -0.200 0.000) 1.573 2.872 ( 2.246 -0.160 0.000) 2.251 3.054 ( 2.214 0.516 0.000) 2.274 3.165 ( -5.036 -0.146 0.000) 5.038 3.360 ( -5.440 -0.078 0.000) 5.441 3.474 ( 0.279 0.085 0.000) 0.292 3.515 ( 0.687 -0.444 0.000) 0.818 3.516 ( -1.371 -0.618 0.000) 1.504 3.566 ( 0.479 0.219 0.000) 0.526 3.700 ( -0.504 0.106 0.000) 0.515 3.910 ( 0.761 0.031 0.000) 0.761 3.919 ( 0.548 0.031 0.000) 0.548 3.933 ( 1.245 0.067 0.000) 1.246 4.222 ( 2.005 -0.108 0.000) 2.008 4.430 ( -3.840 -0.207 0.000) 3.846 4.761 ( 7.307 0.472 0.000) 7.322 4.810 ( -0.216 -0.968 0.000) 0.992 5.371 ( 1.664 0.357 0.000) 1.702 5.578 ( -0.951 -0.334 0.000) 1.008 ======================= Grid point 31 (23/129) ======================= q-point: (-0.50 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -8.200 -5.408 0.000) 9.823 0.962 ( -2.868 -0.490 0.000) 2.909 1.060 ( -5.662 -0.031 0.000) 5.662 1.163 ( -0.203 1.589 0.000) 1.602 1.275 ( -3.261 -4.876 0.000) 5.866 1.402 ( -0.816 0.102 0.000) 0.823 1.405 ( 0.772 -0.659 0.000) 1.015 1.483 ( -5.937 2.221 0.000) 6.339 1.550 ( 3.871 2.015 0.000) 4.364 1.645 ( -7.474 1.935 0.000) 7.720 1.704 ( 1.277 2.065 0.000) 2.428 1.798 ( -0.686 -0.450 0.000) 0.821 1.927 ( 2.241 -0.921 0.000) 2.423 2.106 ( -8.632 -0.983 0.000) 8.688 2.131 ( -8.985 3.244 0.000) 9.552 2.330 ( -2.179 1.451 0.000) 2.618 2.383 ( -4.946 0.925 0.000) 5.032 2.728 ( -0.939 -0.204 0.000) 0.961 2.921 ( 2.066 -0.233 0.000) 2.079 3.075 ( -3.598 -0.084 0.000) 3.599 3.108 ( 3.407 0.175 0.000) 3.412 3.258 ( -4.562 0.321 0.000) 4.573 3.483 ( -1.494 0.032 0.000) 1.494 3.488 ( 1.504 0.186 0.000) 1.516 3.541 ( 1.619 -0.883 0.000) 1.845 3.601 ( 3.375 -0.148 0.000) 3.378 3.667 ( -3.084 0.057 0.000) 3.085 3.920 ( 0.192 -0.025 0.000) 0.194 3.934 ( 1.134 -0.016 0.000) 1.134 3.941 ( -1.059 -0.342 0.000) 1.113 4.273 ( 2.968 -0.743 0.000) 3.060 4.353 ( -4.399 -0.417 0.000) 4.419 4.806 ( -0.054 -1.650 0.000) 1.651 4.936 ( 10.068 0.460 0.000) 10.078 5.410 ( 2.727 0.879 0.000) 2.866 5.557 ( -1.416 -0.882 0.000) 1.668 ======================= Grid point 32 (24/129) ======================= q-point: (-0.42 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -11.360 -4.180 0.000) 12.105 0.863 ( -9.876 0.892 0.000) 9.916 0.942 ( -3.547 -1.845 0.000) 3.998 1.066 ( -8.023 0.588 0.000) 8.044 1.246 ( -3.802 -6.990 0.000) 7.957 1.332 ( -5.688 0.256 0.000) 5.694 1.419 ( -5.295 -3.382 0.000) 6.283 1.467 ( 5.977 1.170 0.000) 6.090 1.514 ( -2.395 5.778 0.000) 6.254 1.614 ( 3.629 2.030 0.000) 4.158 1.688 ( -3.665 0.509 0.000) 3.700 1.784 ( -1.057 -0.775 0.000) 1.310 1.886 ( -6.088 2.149 0.000) 6.456 1.898 ( -12.958 -1.745 0.000) 13.075 1.965 ( -3.875 2.868 0.000) 4.821 2.187 ( -9.627 2.535 0.000) 9.955 2.286 ( -6.606 -0.127 0.000) 6.608 2.729 ( 1.044 0.321 0.000) 1.093 2.931 ( -1.409 -0.066 0.000) 1.410 3.039 ( -0.364 0.087 0.000) 0.375 3.150 ( -0.028 0.656 0.000) 0.657 3.204 ( -0.396 0.390 0.000) 0.556 3.474 ( 0.808 0.136 0.000) 0.820 3.536 ( 3.490 0.116 0.000) 3.492 3.574 ( -6.703 -0.085 0.000) 6.703 3.584 ( 2.289 -0.269 0.000) 2.305 3.701 ( 6.830 -0.185 0.000) 6.833 3.884 ( -5.141 -1.303 0.000) 5.303 3.923 ( 0.178 -0.275 0.000) 0.328 3.963 ( 1.787 -0.146 0.000) 1.793 4.264 ( -5.009 -0.692 0.000) 5.056 4.334 ( 1.843 -3.356 0.000) 3.828 4.819 ( 0.515 -2.184 0.000) 2.244 5.137 ( 11.035 0.920 0.000) 11.073 5.460 ( 2.737 1.207 0.000) 2.991 5.538 ( -0.908 -1.320 0.000) 1.602 ======================= Grid point 33 (25/129) ======================= q-point: (-0.33 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -10.970 1.240 0.000) 11.040 0.619 ( -14.212 0.887 0.000) 14.240 0.884 ( -7.435 0.138 0.000) 7.436 0.942 ( -0.950 -3.015 0.000) 3.162 1.105 ( -14.846 0.579 0.000) 14.857 1.252 ( -2.859 -0.538 0.000) 2.909 1.316 ( -5.286 -3.487 0.000) 6.333 1.439 ( -2.652 0.958 0.000) 2.820 1.558 ( -1.048 0.695 0.000) 1.258 1.597 ( -5.750 -1.195 0.000) 5.873 1.633 ( -1.487 -2.582 0.000) 2.979 1.711 ( 0.178 0.377 0.000) 0.417 1.781 ( -5.239 -0.043 0.000) 5.239 1.789 ( -0.133 -0.541 0.000) 0.557 1.884 ( -4.434 1.231 0.000) 4.602 1.995 ( -7.512 1.841 0.000) 7.735 2.137 ( -7.250 2.680 0.000) 7.730 2.763 ( 2.824 1.028 0.000) 3.005 2.872 ( -4.243 0.151 0.000) 4.246 3.044 ( 0.602 0.170 0.000) 0.625 3.089 ( -5.144 1.526 0.000) 5.365 3.235 ( 3.172 -0.086 0.000) 3.173 3.420 ( -8.958 -0.142 0.000) 8.959 3.507 ( 2.240 -0.109 0.000) 2.242 3.609 ( 3.738 -0.206 0.000) 3.743 3.616 ( -0.011 -0.592 0.000) 0.593 3.762 ( -5.973 -1.917 0.000) 6.273 3.837 ( 3.931 -0.064 0.000) 3.932 3.935 ( 0.859 -0.645 0.000) 1.075 4.001 ( 2.008 -0.211 0.000) 2.019 4.180 ( -3.548 -1.245 0.000) 3.760 4.355 ( -3.466 -9.236 0.000) 9.865 4.849 ( 1.667 -1.284 0.000) 2.104 5.339 ( 10.558 1.634 0.000) 10.684 5.481 ( -0.443 -0.917 0.000) 1.018 5.556 ( 2.439 0.652 0.000) 2.525 ======================= Grid point 34 (26/129) ======================= q-point: (-0.25 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( -15.314 1.029 0.000) 15.348 0.357 ( -5.152 9.902 0.000) 11.162 0.735 ( -18.653 10.321 0.000) 21.318 0.744 ( -5.882 -0.246 0.000) 5.887 0.994 ( 3.918 -3.095 0.000) 4.993 1.213 ( -1.601 0.246 0.000) 1.619 1.258 ( -2.349 -2.746 0.000) 3.613 1.338 ( -12.508 -3.369 0.000) 12.954 1.438 ( 0.671 -4.894 0.000) 4.939 1.608 ( -3.381 -4.464 0.000) 5.600 1.646 ( 2.458 -0.825 0.000) 2.593 1.675 ( -5.983 -4.160 0.000) 7.288 1.744 ( 1.976 1.396 0.000) 2.419 1.768 ( -5.157 2.366 0.000) 5.674 1.797 ( 0.578 0.141 0.000) 0.595 1.944 ( 2.218 2.702 0.000) 3.496 2.031 ( -0.216 4.600 0.000) 4.605 2.790 ( -3.656 0.192 0.000) 3.661 2.817 ( 2.851 1.268 0.000) 3.121 2.978 ( -4.741 0.368 0.000) 4.755 3.046 ( -0.529 0.160 0.000) 0.552 3.267 ( -6.020 -0.072 0.000) 6.021 3.307 ( 3.474 -0.641 0.000) 3.532 3.505 ( -13.982 -7.577 0.000) 15.903 3.557 ( 1.307 -0.991 0.000) 1.640 3.669 ( 2.170 -0.526 0.000) 2.233 3.707 ( 0.089 0.904 0.000) 0.908 3.840 ( -3.009 0.139 0.000) 3.012 3.957 ( 0.870 -0.914 0.000) 1.261 4.036 ( 1.337 -0.167 0.000) 1.347 4.091 ( -13.485 -8.427 0.000) 15.902 4.316 ( -2.887 -8.644 0.000) 9.113 4.889 ( 1.910 0.113 0.000) 1.914 5.475 ( -0.678 -2.220 0.000) 2.321 5.517 ( 9.016 2.455 0.000) 9.344 5.597 ( 2.058 1.843 0.000) 2.762 ======================= Grid point 35 (27/129) ======================= q-point: (-0.17 0.17 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.085 ( 0.000 3.155 0.000) 3.155 0.288 ( 0.000 13.699 0.000) 13.699 0.398 ( 0.000 19.216 0.000) 19.216 0.685 ( -0.000 -0.127 0.000) 0.127 1.078 ( -0.000 -0.240 0.000) 0.240 1.192 ( 0.000 0.725 0.000) 0.725 1.203 ( -0.000 -6.701 0.000) 6.701 1.253 ( -0.000 -2.167 0.000) 2.167 1.472 ( -0.000 -3.852 0.000) 3.852 1.601 ( -0.000 -8.878 0.000) 8.878 1.621 ( -0.000 -1.869 0.000) 1.869 1.675 ( -0.000 -0.824 0.000) 0.824 1.705 ( 0.000 1.872 0.000) 1.872 1.757 ( 0.000 1.317 0.000) 1.317 1.802 ( 0.000 0.378 0.000) 0.378 1.942 ( 0.000 6.491 0.000) 6.491 2.215 ( -0.000 -4.523 0.000) 4.523 2.751 ( 0.000 0.153 0.000) 0.153 2.832 ( 0.000 0.232 0.000) 0.232 2.934 ( -0.000 -0.152 0.000) 0.152 3.027 ( 0.000 0.260 0.000) 0.260 3.034 ( 0.000 0.153 0.000) 0.153 3.211 ( -0.000 -0.032 0.000) 0.032 3.362 ( -0.000 -0.254 0.000) 0.254 3.588 ( -0.000 -0.582 0.000) 0.582 3.693 ( -0.000 -0.582 0.000) 0.582 3.707 ( 0.000 1.495 0.000) 1.495 3.793 ( 0.000 0.066 0.000) 0.066 3.841 ( 0.000 0.047 0.000) 0.047 3.971 ( -0.000 -0.925 0.000) 0.925 4.050 ( -0.000 -0.112 0.000) 0.112 4.329 ( -0.000 -2.730 0.000) 2.730 4.908 ( 0.000 0.448 0.000) 0.448 5.481 ( -0.000 -2.537 0.000) 2.537 5.607 ( 0.000 2.152 0.000) 2.152 5.628 ( 0.000 0.095 0.000) 0.095 ======================= Grid point 40 (28/129) ======================= q-point: ( 0.25 0.25 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 2.258 0.000 0.000) 2.258 1.063 ( -1.893 -0.000 0.000) 1.893 1.065 ( -3.227 -0.000 0.000) 3.227 1.232 ( -0.014 -0.000 0.000) 0.014 1.348 ( -0.999 -0.000 0.000) 0.999 1.440 ( 2.112 0.000 0.000) 2.112 1.494 ( -5.021 -0.000 0.000) 5.021 1.513 ( 0.300 0.000 0.000) 0.300 1.541 ( -0.629 -0.000 0.000) 0.629 1.663 ( 5.721 0.000 0.000) 5.721 1.803 ( -0.164 -0.000 0.000) 0.164 1.811 ( 2.217 0.000 0.000) 2.217 1.847 ( -0.175 -0.000 0.000) 0.175 2.245 ( -0.453 -0.000 0.000) 0.453 2.252 ( -1.018 -0.000 0.000) 1.018 2.333 ( -1.078 -0.000 0.000) 1.078 2.449 ( 4.182 0.000 0.000) 4.182 2.771 ( -0.102 -0.000 0.000) 0.102 2.851 ( -0.258 -0.000 0.000) 0.258 3.026 ( 1.036 0.000 0.000) 1.036 3.224 ( -0.296 -0.000 0.000) 0.296 3.437 ( -0.826 -0.000 0.000) 0.826 3.472 ( 0.108 0.000 0.000) 0.108 3.498 ( -0.083 -0.000 0.000) 0.083 3.531 ( -1.009 -0.000 0.000) 1.009 3.568 ( 0.276 0.000 0.000) 0.276 3.700 ( 0.221 0.000 0.000) 0.221 3.901 ( 0.067 0.000 0.000) 0.067 3.913 ( 0.075 0.000 0.000) 0.075 3.915 ( 0.211 0.000 0.000) 0.211 4.201 ( -0.084 -0.000 0.000) 0.084 4.480 ( -0.414 -0.000 0.000) 0.414 4.672 ( 0.661 0.000 0.000) 0.661 4.822 ( -1.248 -0.000 0.000) 1.248 5.351 ( 0.482 0.000 0.000) 0.482 5.590 ( -0.437 -0.000 0.000) 0.437 ======================= Grid point 41 (29/129) ======================= q-point: (-0.67 0.25 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -4.554 -0.623 0.000) 4.596 1.008 ( -0.435 1.873 0.000) 1.923 1.037 ( 4.218 -1.841 0.000) 4.602 1.201 ( -3.011 0.071 0.000) 3.012 1.303 ( -3.768 -1.514 0.000) 4.061 1.407 ( -2.401 0.366 0.000) 2.429 1.471 ( -3.448 0.792 0.000) 3.538 1.498 ( 2.976 -0.246 0.000) 2.986 1.563 ( 1.544 0.941 0.000) 1.808 1.759 ( -1.548 -0.848 0.000) 1.765 1.769 ( -4.053 3.104 0.000) 5.105 1.802 ( -0.123 -0.043 0.000) 0.130 1.825 ( 2.495 -2.514 0.000) 3.542 2.211 ( -3.433 -0.131 0.000) 3.435 2.243 ( -1.094 0.710 0.000) 1.304 2.342 ( 1.130 -0.015 0.000) 1.130 2.470 ( -1.615 0.489 0.000) 1.687 2.753 ( -1.604 -0.086 0.000) 1.607 2.871 ( 2.204 -0.059 0.000) 2.205 3.058 ( 2.180 0.191 0.000) 2.189 3.164 ( -5.043 -0.054 0.000) 5.043 3.359 ( -5.360 -0.025 0.000) 5.360 3.475 ( 0.308 0.031 0.000) 0.309 3.511 ( -1.152 -0.245 0.000) 1.178 3.513 ( 0.432 -0.154 0.000) 0.459 3.568 ( 0.294 0.083 0.000) 0.305 3.700 ( -0.500 0.039 0.000) 0.502 3.911 ( 0.762 0.011 0.000) 0.762 3.919 ( 0.550 0.011 0.000) 0.550 3.933 ( 1.208 0.024 0.000) 1.208 4.221 ( 1.929 -0.041 0.000) 1.930 4.429 ( -3.882 -0.077 0.000) 3.882 4.764 ( 7.675 0.226 0.000) 7.678 4.803 ( -0.791 -0.405 0.000) 0.889 5.373 ( 1.802 0.133 0.000) 1.807 5.575 ( -1.088 -0.125 0.000) 1.095 ======================= Grid point 42 (30/129) ======================= q-point: (-0.58 0.25 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -8.363 -3.055 0.000) 8.904 0.958 ( -2.857 -0.233 0.000) 2.867 1.060 ( -6.070 -0.055 0.000) 6.070 1.176 ( 0.008 0.947 0.000) 0.947 1.236 ( -3.941 -2.713 0.000) 4.784 1.400 ( 0.283 -0.337 0.000) 0.440 1.402 ( -0.583 0.058 0.000) 0.586 1.502 ( -6.756 1.481 0.000) 6.917 1.566 ( 3.962 1.161 0.000) 4.129 1.654 ( -6.622 0.140 0.000) 6.624 1.730 ( 1.261 2.668 0.000) 2.952 1.794 ( -0.833 -0.280 0.000) 0.879 1.912 ( 2.304 -1.646 0.000) 2.831 2.098 ( -8.900 -0.587 0.000) 8.919 2.157 ( -7.308 1.937 0.000) 7.560 2.342 ( -1.740 0.894 0.000) 1.956 2.391 ( -6.127 0.570 0.000) 6.153 2.726 ( -0.795 -0.107 0.000) 0.802 2.919 ( 2.098 -0.136 0.000) 2.103 3.074 ( -3.526 -0.048 0.000) 3.527 3.109 ( 3.235 0.078 0.000) 3.236 3.261 ( -4.404 0.173 0.000) 4.408 3.485 ( -1.232 0.171 0.000) 1.244 3.490 ( 1.518 0.106 0.000) 1.521 3.533 ( 1.713 -0.650 0.000) 1.832 3.600 ( 3.327 -0.088 0.000) 3.329 3.668 ( -3.139 0.034 0.000) 3.140 3.920 ( 0.133 -0.015 0.000) 0.133 3.934 ( 1.091 -0.009 0.000) 1.091 3.938 ( -1.368 -0.210 0.000) 1.384 4.266 ( 2.462 -0.445 0.000) 2.502 4.349 ( -4.489 -0.246 0.000) 4.496 4.793 ( -0.351 -0.907 0.000) 0.972 4.940 ( 10.227 0.241 0.000) 10.230 5.417 ( 2.961 0.563 0.000) 3.014 5.550 ( -1.678 -0.564 0.000) 1.770 ======================= Grid point 43 (31/129) ======================= q-point: (-0.50 0.25 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -8.785 -2.115 0.000) 9.036 0.873 ( -9.931 1.041 0.000) 9.985 0.925 ( -3.393 -1.505 0.000) 3.712 1.070 ( -8.843 0.257 0.000) 8.847 1.179 ( -4.710 -5.865 0.000) 7.522 1.339 ( -5.940 0.926 0.000) 6.012 1.389 ( -5.577 -2.640 0.000) 6.170 1.477 ( 6.101 0.839 0.000) 6.158 1.562 ( -1.523 3.619 0.000) 3.926 1.633 ( 3.521 1.609 0.000) 3.872 1.701 ( -4.619 2.044 0.000) 5.052 1.778 ( -1.014 -0.505 0.000) 1.133 1.882 ( -13.409 -1.479 0.000) 13.490 1.888 ( -5.457 -1.181 0.000) 5.583 1.998 ( -5.818 3.276 0.000) 6.677 2.210 ( -9.895 2.030 0.000) 10.101 2.283 ( -5.850 -0.476 0.000) 5.869 2.732 ( 1.354 0.256 0.000) 1.378 2.930 ( -1.292 -0.050 0.000) 1.293 3.040 ( -0.300 0.062 0.000) 0.306 3.157 ( 0.738 0.607 0.000) 0.955 3.208 ( -0.630 0.280 0.000) 0.690 3.476 ( 0.664 0.185 0.000) 0.689 3.537 ( 3.387 0.085 0.000) 3.388 3.574 ( -6.759 -0.061 0.000) 6.759 3.581 ( 2.664 -0.252 0.000) 2.676 3.700 ( 6.877 -0.113 0.000) 6.878 3.872 ( -5.775 -1.164 0.000) 5.891 3.920 ( 0.030 -0.202 0.000) 0.204 3.962 ( 1.734 -0.108 0.000) 1.737 4.258 ( -5.104 -0.459 0.000) 5.125 4.304 ( -0.051 -2.589 0.000) 2.590 4.801 ( 0.803 -1.353 0.000) 1.573 5.144 ( 11.191 0.587 0.000) 11.206 5.473 ( 2.701 1.346 0.000) 3.018 5.524 ( -0.934 -1.428 0.000) 1.706 ======================= Grid point 44 (32/129) ======================= q-point: (-0.42 0.25 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -5.774 4.762 0.000) 7.484 0.627 ( -14.302 0.651 0.000) 14.317 0.884 ( -7.857 -0.089 0.000) 7.857 0.915 ( -1.157 -2.198 0.000) 2.484 1.076 ( -10.584 -5.728 0.000) 12.034 1.250 ( -3.075 0.154 0.000) 3.079 1.287 ( -5.344 -2.613 0.000) 5.949 1.471 ( -5.966 5.131 0.000) 7.869 1.564 ( -5.246 0.428 0.000) 5.263 1.586 ( -4.445 -0.972 0.000) 4.550 1.612 ( -2.020 -1.488 0.000) 2.509 1.715 ( 1.685 0.380 0.000) 1.727 1.761 ( -8.648 -3.559 0.000) 9.351 1.784 ( 0.356 -0.532 0.000) 0.640 1.906 ( -3.656 2.478 0.000) 4.417 2.011 ( -8.238 1.369 0.000) 8.351 2.161 ( -5.775 2.078 0.000) 6.137 2.772 ( 3.085 0.843 0.000) 3.199 2.873 ( -4.175 0.128 0.000) 4.177 3.046 ( 0.614 0.150 0.000) 0.632 3.106 ( -5.073 1.857 0.000) 5.402 3.233 ( 2.879 -0.243 0.000) 2.890 3.418 ( -8.945 -0.118 0.000) 8.946 3.506 ( 2.178 -0.094 0.000) 2.180 3.607 ( 3.543 -0.192 0.000) 3.548 3.607 ( -2.141 -1.054 0.000) 2.386 3.744 ( -5.555 -1.552 0.000) 5.767 3.836 ( 4.493 -0.216 0.000) 4.498 3.929 ( 0.684 -0.557 0.000) 0.882 3.999 ( 2.003 -0.191 0.000) 2.012 4.170 ( -4.130 -0.854 0.000) 4.217 4.271 ( -5.922 -7.473 0.000) 9.535 4.839 ( 2.514 -0.657 0.000) 2.598 5.353 ( 10.802 1.092 0.000) 10.857 5.472 ( -1.392 -0.742 0.000) 1.577 5.562 ( 3.320 0.519 0.000) 3.360 ======================= Grid point 45 (33/129) ======================= q-point: (-0.33 0.25 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( -15.266 0.613 0.000) 15.278 0.472 ( -0.841 12.668 0.000) 12.696 0.737 ( -6.152 -1.028 0.000) 6.237 0.820 ( -14.157 6.203 0.000) 15.456 0.965 ( 4.226 -2.532 0.000) 4.927 1.213 ( -0.990 -0.275 0.000) 1.028 1.231 ( -2.090 -2.429 0.000) 3.205 1.310 ( -13.247 -2.257 0.000) 13.438 1.398 ( -0.672 -2.833 0.000) 2.912 1.562 ( -6.134 -4.724 0.000) 7.742 1.632 ( 1.524 -1.755 0.000) 2.324 1.634 ( -4.716 -3.837 0.000) 6.080 1.757 ( 2.109 0.969 0.000) 2.321 1.790 ( -5.635 1.953 0.000) 5.964 1.800 ( 1.039 0.584 0.000) 1.192 1.964 ( 3.561 1.286 0.000) 3.786 2.072 ( -1.192 3.598 0.000) 3.791 2.792 ( -3.666 0.191 0.000) 3.671 2.829 ( 2.684 1.170 0.000) 2.928 2.983 ( -5.577 0.608 0.000) 5.611 3.048 ( -0.530 0.165 0.000) 0.555 3.266 ( -5.975 -0.063 0.000) 5.976 3.298 ( 1.857 -1.296 0.000) 2.265 3.427 ( -17.827 -7.239 0.000) 19.241 3.552 ( 2.176 -0.361 0.000) 2.206 3.664 ( 2.023 -0.559 0.000) 2.099 3.717 ( 0.846 1.052 0.000) 1.350 3.841 ( -3.050 0.092 0.000) 3.052 3.948 ( 0.760 -0.903 0.000) 1.180 4.022 ( -14.349 -5.257 0.000) 15.282 4.034 ( 1.357 -0.189 0.000) 1.370 4.252 ( 1.697 -4.840 0.000) 5.129 4.891 ( 2.340 0.260 0.000) 2.354 5.455 ( -0.955 -1.819 0.000) 2.055 5.535 ( 8.510 1.310 0.000) 8.610 5.613 ( 2.290 1.457 0.000) 2.715 ======================= Grid point 46 (34/129) ======================= q-point: (-0.25 0.25 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.108 ( 0.000 1.544 0.000) 1.544 0.417 ( 0.000 12.037 0.000) 12.037 0.581 ( 0.000 17.462 0.000) 17.462 0.680 ( -0.000 -0.851 0.000) 0.851 1.075 ( -0.000 -0.277 0.000) 0.277 1.138 ( -0.000 -5.963 0.000) 5.963 1.201 ( 0.000 1.015 0.000) 1.015 1.227 ( -0.000 -2.928 0.000) 2.928 1.430 ( -0.000 -4.613 0.000) 4.613 1.516 ( -0.000 -8.123 0.000) 8.123 1.601 ( -0.000 -2.094 0.000) 2.094 1.657 ( -0.000 -2.439 0.000) 2.439 1.723 ( 0.000 1.696 0.000) 1.696 1.773 ( 0.000 1.436 0.000) 1.436 1.807 ( 0.000 0.831 0.000) 0.831 1.999 ( 0.000 4.738 0.000) 4.738 2.165 ( -0.000 -5.272 0.000) 5.272 2.752 ( 0.000 0.177 0.000) 0.177 2.834 ( 0.000 0.261 0.000) 0.261 2.933 ( 0.000 0.002 0.000) 0.002 3.030 ( 0.000 0.300 0.000) 0.300 3.035 ( 0.000 0.176 0.000) 0.176 3.211 ( -0.000 -0.024 0.000) 0.024 3.359 ( -0.000 -0.377 0.000) 0.377 3.582 ( -0.000 -0.582 0.000) 0.582 3.687 ( -0.000 -0.713 0.000) 0.713 3.723 ( 0.000 1.645 0.000) 1.645 3.794 ( 0.000 0.076 0.000) 0.076 3.842 ( 0.000 0.055 0.000) 0.055 3.961 ( -0.000 -1.048 0.000) 1.048 4.048 ( -0.000 -0.162 0.000) 0.162 4.299 ( -0.000 -3.233 0.000) 3.233 4.913 ( 0.000 0.508 0.000) 0.508 5.456 ( -0.000 -2.308 0.000) 2.308 5.627 ( 0.000 1.881 0.000) 1.881 5.629 ( 0.000 0.110 0.000) 0.110 ======================= Grid point 53 (35/129) ======================= q-point: (-0.67 0.33 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -8.417 -0.000 0.000) 8.417 0.957 ( -2.841 -0.000 0.000) 2.841 1.060 ( -6.196 -0.000 0.000) 6.196 1.181 ( 0.041 0.000 0.000) 0.041 1.223 ( -4.179 -0.000 0.000) 4.179 1.398 ( 0.119 0.000 0.000) 0.119 1.403 ( -0.491 -0.000 0.000) 0.491 1.510 ( -7.227 -0.000 0.000) 7.227 1.572 ( 4.008 0.000 0.000) 4.008 1.654 ( -5.938 -0.000 0.000) 5.938 1.746 ( 0.941 0.000 0.000) 0.941 1.792 ( -0.892 -0.000 0.000) 0.892 1.902 ( 2.477 0.000 0.000) 2.477 2.095 ( -9.003 -0.000 0.000) 9.003 2.167 ( -6.715 -0.000 0.000) 6.715 2.346 ( -1.676 -0.000 0.000) 1.676 2.393 ( -6.534 -0.000 0.000) 6.534 2.726 ( -0.731 -0.000 0.000) 0.731 2.918 ( 2.110 0.000 0.000) 2.110 3.074 ( -3.500 -0.000 0.000) 3.500 3.110 ( 3.177 0.000 0.000) 3.177 3.262 ( -4.344 -0.000 0.000) 4.344 3.486 ( -1.148 -0.000 0.000) 1.148 3.490 ( 1.523 0.000 0.000) 1.523 3.529 ( 1.762 0.000 0.000) 1.762 3.599 ( 3.308 0.000 0.000) 3.308 3.668 ( -3.160 -0.000 0.000) 3.160 3.920 ( 0.111 0.000 0.000) 0.111 3.934 ( 1.075 0.000 0.000) 1.075 3.937 ( -1.488 -0.000 0.000) 1.488 4.264 ( 2.273 0.000 0.000) 2.273 4.348 ( -4.524 -0.000 0.000) 4.524 4.788 ( -0.447 -0.000 0.000) 0.447 4.941 ( 10.281 0.000 0.000) 10.281 5.420 ( 3.069 0.000 0.000) 3.069 5.547 ( -1.796 -0.000 0.000) 1.796 ======================= Grid point 55 (36/129) ======================= q-point: (-0.58 0.33 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -6.772 -0.553 0.000) 6.795 0.882 ( -10.997 0.654 0.000) 11.016 0.913 ( -2.251 -0.782 0.000) 2.383 1.072 ( -9.309 0.064 0.000) 9.309 1.138 ( -5.673 -2.254 0.000) 6.104 1.350 ( -6.039 1.347 0.000) 6.187 1.367 ( -6.037 -1.954 0.000) 6.346 1.483 ( 6.121 0.306 0.000) 6.128 1.585 ( -0.783 1.089 0.000) 1.341 1.644 ( 3.522 0.617 0.000) 3.576 1.721 ( -4.742 1.468 0.000) 4.964 1.775 ( -0.782 -0.154 0.000) 0.797 1.871 ( -13.910 -0.606 0.000) 13.923 1.874 ( -5.839 -1.090 0.000) 5.939 2.022 ( -6.552 1.316 0.000) 6.682 2.225 ( -10.355 0.851 0.000) 10.390 2.279 ( -5.077 -0.341 0.000) 5.089 2.734 ( 1.510 0.097 0.000) 1.513 2.930 ( -1.225 -0.019 0.000) 1.225 3.040 ( -0.263 0.022 0.000) 0.264 3.161 ( 1.300 0.254 0.000) 1.324 3.210 ( -0.811 0.100 0.000) 0.817 3.478 ( 0.537 0.090 0.000) 0.545 3.538 ( 3.328 0.031 0.000) 3.328 3.573 ( -6.793 -0.022 0.000) 6.793 3.579 ( 2.932 -0.107 0.000) 2.934 3.699 ( 6.943 -0.034 0.000) 6.943 3.863 ( -6.272 -0.482 0.000) 6.291 3.919 ( -0.056 -0.074 0.000) 0.093 3.961 ( 1.702 -0.040 0.000) 1.702 4.255 ( -5.157 -0.130 0.000) 5.158 4.286 ( -1.123 -0.996 0.000) 1.501 4.792 ( 1.013 -0.451 0.000) 1.108 5.148 ( 11.268 0.201 0.000) 11.270 5.486 ( 3.413 1.008 0.000) 3.558 5.511 ( -1.681 -1.038 0.000) 1.975 ======================= Grid point 56 (37/129) ======================= q-point: (-0.50 0.33 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -14.448 0.310 0.000) 14.452 0.633 ( -0.780 5.124 0.000) 5.183 0.881 ( -9.481 -0.400 0.000) 9.489 0.900 ( 0.006 -0.827 0.000) 0.827 1.013 ( -9.624 -5.932 0.000) 11.305 1.252 ( -3.156 0.170 0.000) 3.161 1.265 ( -5.235 -1.710 0.000) 5.507 1.529 ( -7.504 5.945 0.000) 9.574 1.567 ( -10.531 0.218 0.000) 10.534 1.578 ( -1.058 -0.562 0.000) 1.198 1.601 ( -2.263 -1.023 0.000) 2.484 1.718 ( 2.309 0.231 0.000) 2.321 1.720 ( -10.543 -4.152 0.000) 11.331 1.779 ( 0.983 -0.331 0.000) 1.037 1.927 ( -3.861 1.547 0.000) 4.159 2.022 ( -8.756 0.733 0.000) 8.786 2.177 ( -4.845 1.122 0.000) 4.973 2.779 ( 3.267 0.466 0.000) 3.300 2.874 ( -4.124 0.073 0.000) 4.125 3.047 ( 0.624 0.087 0.000) 0.631 3.123 ( -4.980 1.411 0.000) 5.176 3.231 ( 2.636 -0.278 0.000) 2.651 3.417 ( -8.936 -0.066 0.000) 8.936 3.505 ( 2.114 -0.053 0.000) 2.115 3.597 ( -4.625 -0.967 0.000) 4.725 3.606 ( 3.394 -0.116 0.000) 3.396 3.733 ( -4.556 -0.805 0.000) 4.627 3.833 ( 5.004 -0.188 0.000) 5.007 3.924 ( 0.557 -0.321 0.000) 0.643 3.998 ( 1.997 -0.113 0.000) 2.000 4.165 ( -4.287 0.071 0.000) 4.288 4.210 ( -7.190 -4.531 0.000) 8.498 4.835 ( 3.025 -0.269 0.000) 3.036 5.361 ( 10.893 0.539 0.000) 10.906 5.467 ( -1.953 -0.414 0.000) 1.996 5.566 ( 3.833 0.287 0.000) 3.844 ======================= Grid point 57 (38/129) ======================= q-point: (-0.42 0.33 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -15.418 0.161 0.000) 15.419 0.600 ( 0.192 12.650 0.000) 12.651 0.724 ( -6.505 -1.467 0.000) 6.668 0.849 ( -7.813 -0.601 0.000) 7.836 0.946 ( 4.239 -1.226 0.000) 4.413 1.202 ( -2.109 -1.955 0.000) 2.876 1.219 ( -0.520 0.178 0.000) 0.549 1.293 ( -13.557 -1.167 0.000) 13.607 1.387 ( -3.585 0.613 0.000) 3.637 1.515 ( -8.922 -4.708 0.000) 10.088 1.601 ( -2.660 -2.749 0.000) 3.825 1.614 ( 0.812 -1.521 0.000) 1.725 1.762 ( 1.885 0.178 0.000) 1.893 1.806 ( -6.086 1.192 0.000) 6.202 1.808 ( 1.630 0.777 0.000) 1.806 1.971 ( 3.053 0.297 0.000) 3.068 2.101 ( -1.764 2.270 0.000) 2.874 2.793 ( -3.674 0.139 0.000) 3.677 2.839 ( 2.504 0.823 0.000) 2.636 2.989 ( -6.585 0.634 0.000) 6.616 3.049 ( -0.533 0.124 0.000) 0.547 3.266 ( -5.934 -0.041 0.000) 5.934 3.281 ( -2.561 -2.033 0.000) 3.270 3.372 ( -14.228 -3.826 0.000) 14.733 3.549 ( 2.154 -0.217 0.000) 2.165 3.659 ( 1.890 -0.430 0.000) 1.939 3.727 ( 1.309 0.828 0.000) 1.549 3.842 ( -3.118 0.037 0.000) 3.118 3.940 ( 0.668 -0.657 0.000) 0.937 3.984 ( -12.485 -2.498 0.000) 12.732 4.032 ( 1.370 -0.149 0.000) 1.378 4.214 ( 3.164 -2.920 0.000) 4.306 4.893 ( 2.579 0.219 0.000) 2.589 5.440 ( -1.172 -1.194 0.000) 1.673 5.545 ( 8.093 0.653 0.000) 8.120 5.625 ( 2.472 0.938 0.000) 2.644 ======================= Grid point 58 (39/129) ======================= q-point: (-0.33 0.33 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.116 ( 0.000 0.121 0.000) 0.121 0.524 ( 0.000 9.325 0.000) 9.325 0.667 ( -0.000 -1.723 0.000) 1.723 0.741 ( 0.000 14.395 0.000) 14.395 1.073 ( -0.000 -0.239 0.000) 0.239 1.089 ( -0.000 -3.631 0.000) 3.631 1.197 ( -0.000 -2.947 0.000) 2.947 1.212 ( 0.000 1.259 0.000) 1.259 1.383 ( -0.000 -4.654 0.000) 4.654 1.441 ( -0.000 -6.848 0.000) 6.848 1.581 ( -0.000 -1.759 0.000) 1.759 1.632 ( -0.000 -2.432 0.000) 2.432 1.738 ( 0.000 1.230 0.000) 1.230 1.780 ( 0.000 0.192 0.000) 0.192 1.819 ( 0.000 1.391 0.000) 1.391 2.033 ( 0.000 1.901 0.000) 1.901 2.118 ( -0.000 -3.696 0.000) 3.696 2.754 ( 0.000 0.153 0.000) 0.153 2.837 ( 0.000 0.220 0.000) 0.220 2.934 ( 0.000 0.177 0.000) 0.177 3.033 ( 0.000 0.261 0.000) 0.261 3.037 ( 0.000 0.152 0.000) 0.152 3.210 ( -0.000 -0.010 0.000) 0.010 3.355 ( -0.000 -0.402 0.000) 0.402 3.577 ( -0.000 -0.455 0.000) 0.455 3.680 ( -0.000 -0.653 0.000) 0.653 3.739 ( 0.000 1.390 0.000) 1.390 3.795 ( 0.000 0.066 0.000) 0.066 3.842 ( 0.000 0.047 0.000) 0.047 3.951 ( -0.000 -0.898 0.000) 0.898 4.047 ( -0.000 -0.162 0.000) 0.162 4.268 ( -0.000 -2.882 0.000) 2.882 4.918 ( 0.000 0.434 0.000) 0.434 5.436 ( -0.000 -1.735 0.000) 1.735 5.630 ( 0.000 0.096 0.000) 0.096 5.644 ( 0.000 1.382 0.000) 1.382 ======================= Grid point 67 (40/129) ======================= q-point: (-0.58 0.42 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -14.519 -0.000 0.000) 14.519 0.662 ( 1.819 0.000 0.000) 1.819 0.879 ( -10.102 -0.000 0.000) 10.102 0.896 ( 0.458 0.000 0.000) 0.458 0.979 ( -10.334 -0.000 0.000) 10.334 1.254 ( -3.357 -0.000 0.000) 3.357 1.255 ( -4.999 -0.000 0.000) 4.999 1.568 ( -15.202 -0.000 0.000) 15.202 1.571 ( -9.671 -0.000 0.000) 9.671 1.575 ( 2.960 0.000 0.000) 2.960 1.589 ( -0.101 -0.000 0.000) 0.101 1.694 ( -11.559 -0.000 0.000) 11.559 1.719 ( 2.420 0.000 0.000) 2.420 1.777 ( 1.290 0.000 0.000) 1.290 1.934 ( -4.018 -0.000 0.000) 4.018 2.025 ( -8.943 -0.000 0.000) 8.943 2.182 ( -4.528 -0.000 0.000) 4.528 2.781 ( 3.334 0.000 0.000) 3.334 2.875 ( -4.106 -0.000 0.000) 4.106 3.048 ( 0.629 0.000 0.000) 0.629 3.131 ( -4.939 -0.000 0.000) 4.939 3.229 ( 2.547 0.000 0.000) 2.547 3.417 ( -8.933 -0.000 0.000) 8.933 3.505 ( 2.085 0.000 0.000) 2.085 3.591 ( -5.744 -0.000 0.000) 5.744 3.605 ( 3.338 0.000 0.000) 3.338 3.729 ( -4.020 -0.000 0.000) 4.020 3.832 ( 5.207 0.000 0.000) 5.207 3.923 ( 0.511 0.000 0.000) 0.511 3.997 ( 1.994 0.000 0.000) 1.994 4.170 ( -2.547 -0.000 0.000) 2.547 4.184 ( -9.317 -0.000 0.000) 9.317 4.834 ( 3.191 0.000 0.000) 3.191 5.364 ( 10.915 0.000 0.000) 10.915 5.464 ( -2.138 -0.000 0.000) 2.138 5.567 ( 4.001 0.000 0.000) 4.001 ======================= Grid point 69 (41/129) ======================= q-point: (-0.50 0.42 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -15.592 -0.012 0.000) 15.592 0.713 ( -6.773 -0.700 0.000) 6.809 0.717 ( -2.455 10.534 0.000) 10.816 0.810 ( -0.522 -6.658 0.000) 6.678 0.939 ( 4.182 -0.296 0.000) 4.192 1.186 ( -2.337 -0.897 0.000) 2.503 1.223 ( -0.016 0.347 0.000) 0.347 1.285 ( -13.634 -0.344 0.000) 13.639 1.406 ( -5.916 2.654 0.000) 6.483 1.470 ( -10.736 -3.796 0.000) 11.388 1.582 ( -1.462 -0.958 0.000) 1.748 1.604 ( 0.430 -0.591 0.000) 0.730 1.762 ( 1.726 -0.018 0.000) 1.726 1.813 ( 1.949 0.326 0.000) 1.976 1.814 ( -6.309 0.393 0.000) 6.321 1.972 ( 2.271 -0.001 0.000) 2.271 2.116 ( -1.992 0.771 0.000) 2.136 2.794 ( -3.678 0.051 0.000) 3.678 2.845 ( 2.390 0.299 0.000) 2.409 2.994 ( -7.354 0.282 0.000) 7.360 3.050 ( -0.535 0.046 0.000) 0.537 3.263 ( -6.718 -1.087 0.000) 6.806 3.266 ( -5.909 -0.014 0.000) 5.909 3.349 ( -9.494 -0.977 0.000) 9.544 3.547 ( 2.109 -0.076 0.000) 2.111 3.656 ( 1.811 -0.162 0.000) 1.818 3.732 ( 1.536 0.314 0.000) 1.568 3.842 ( -3.174 0.006 0.000) 3.174 3.935 ( 0.615 -0.240 0.000) 0.660 3.969 ( -11.312 -0.725 0.000) 11.335 4.031 ( 1.376 -0.056 0.000) 1.377 4.194 ( 3.571 -1.015 0.000) 3.712 4.895 ( 2.692 0.083 0.000) 2.693 5.432 ( -1.289 -0.416 0.000) 1.354 5.549 ( 7.885 0.200 0.000) 7.888 5.632 ( 2.570 0.324 0.000) 2.590 ======================= Grid point 70 (42/129) ======================= q-point: (-0.42 0.42 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.114 ( -0.000 -0.489 0.000) 0.489 0.598 ( 0.000 5.250 0.000) 5.250 0.650 ( -0.000 -1.523 0.000) 1.523 0.860 ( 0.000 8.919 0.000) 8.919 1.065 ( -0.000 -1.407 0.000) 1.407 1.071 ( -0.000 -0.138 0.000) 0.138 1.172 ( -0.000 -1.883 0.000) 1.883 1.225 ( 0.000 1.253 0.000) 1.253 1.341 ( -0.000 -3.442 0.000) 3.442 1.383 ( -0.000 -4.558 0.000) 4.558 1.568 ( -0.000 -0.990 0.000) 0.990 1.612 ( -0.000 -1.479 0.000) 1.479 1.747 ( 0.000 0.638 0.000) 0.638 1.780 ( -0.000 -0.125 0.000) 0.125 1.831 ( 0.000 0.872 0.000) 0.872 2.033 ( -0.000 -1.308 0.000) 1.308 2.100 ( -0.000 -0.182 0.000) 0.182 2.755 ( 0.000 0.088 0.000) 0.088 2.838 ( 0.000 0.125 0.000) 0.125 2.936 ( 0.000 0.186 0.000) 0.186 3.035 ( 0.000 0.151 0.000) 0.151 3.038 ( 0.000 0.088 0.000) 0.088 3.210 ( -0.000 -0.001 0.000) 0.001 3.351 ( -0.000 -0.266 0.000) 0.266 3.573 ( -0.000 -0.248 0.000) 0.248 3.675 ( -0.000 -0.391 0.000) 0.391 3.750 ( 0.000 0.798 0.000) 0.798 3.795 ( 0.000 0.038 0.000) 0.038 3.842 ( 0.000 0.027 0.000) 0.027 3.944 ( -0.000 -0.517 0.000) 0.517 4.045 ( -0.000 -0.100 0.000) 0.100 4.244 ( -0.000 -1.704 0.000) 1.704 4.921 ( 0.000 0.248 0.000) 0.248 5.422 ( -0.000 -0.929 0.000) 0.929 5.631 ( 0.000 0.056 0.000) 0.056 5.654 ( 0.000 0.732 0.000) 0.732 ======================= Grid point 82 (43/129) ======================= q-point: ( 0.50 -0.50 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.110 ( 0.000 0.000 0.000) 0.000 0.624 ( 0.000 0.000 0.000) 0.000 0.642 ( 0.000 0.000 0.000) 0.000 0.907 ( 0.000 0.000 0.000) 0.000 1.059 ( 0.000 0.000 0.000) 0.000 1.070 ( 0.000 0.000 0.000) 0.000 1.163 ( 0.000 0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.322 ( -0.000 -0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.563 ( 0.000 0.000 0.000) 0.000 1.604 ( 0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 0.000) 0.000 1.779 ( 0.000 0.000 0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.572 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 3.843 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.236 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 5.418 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/129) ======================= q-point: ( 0.00 0.00 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.161 ( 0.000 0.000 8.370) 8.370 0.351 ( 0.000 0.000 15.605) 15.605 0.519 ( 0.000 0.000 2.482) 2.482 0.734 ( 0.000 0.000 16.148) 16.148 0.924 ( 0.000 0.000 -10.253) 10.253 1.239 ( 0.000 0.000 -4.376) 4.376 1.294 ( 0.000 0.000 5.880) 5.880 1.336 ( 0.000 0.000 6.126) 6.126 1.487 ( 0.000 0.000 -2.603) 2.603 1.647 ( 0.000 0.000 0.444) 0.444 1.674 ( 0.000 0.000 -0.523) 0.523 1.688 ( 0.000 0.000 1.469) 1.469 1.694 ( 0.000 0.000 -4.250) 4.250 1.749 ( 0.000 0.000 -1.028) 1.028 1.801 ( 0.000 0.000 -0.385) 0.385 1.908 ( 0.000 0.000 -2.878) 2.878 2.052 ( 0.000 0.000 4.966) 4.966 2.697 ( 0.000 0.000 -19.072) 19.072 2.760 ( 0.000 0.000 0.997) 0.997 2.816 ( 0.000 0.000 -1.075) 1.075 3.031 ( 0.000 0.000 0.499) 0.499 3.037 ( 0.000 0.000 0.316) 0.316 3.234 ( 0.000 0.000 1.503) 1.503 3.335 ( 0.000 0.000 -2.416) 2.416 3.589 ( 0.000 0.000 1.149) 1.149 3.670 ( 0.000 0.000 -1.705) 1.705 3.799 ( 0.000 0.000 0.606) 0.606 3.833 ( 0.000 0.000 -0.623) 0.623 3.966 ( 0.000 0.000 1.671) 1.671 4.004 ( 0.000 0.000 0.948) 0.948 4.307 ( 0.000 0.000 5.092) 5.092 4.607 ( 0.000 0.000 -5.986) 5.986 4.972 ( 0.000 0.000 5.778) 5.778 5.326 ( 0.000 0.000 -8.725) 8.725 5.620 ( 0.000 0.000 4.286) 4.286 5.746 ( 0.000 0.000 -1.758) 1.758 ======================= Grid point 152 (45/129) ======================= q-point: ( 0.08 0.00 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 13.977 -0.350 5.084) 14.877 0.464 ( 10.295 -2.661 8.696) 13.737 0.660 ( 10.318 -1.304 -2.727) 10.752 0.863 ( 13.671 -0.811 19.324) 23.685 0.933 ( 0.901 -0.419 -7.691) 7.755 1.245 ( 0.809 0.606 1.124) 1.511 1.343 ( 1.635 1.572 4.125) 4.707 1.389 ( 8.653 -0.079 -0.200) 8.656 1.484 ( -0.348 1.548 -2.692) 3.124 1.660 ( -0.612 1.249 -1.530) 2.068 1.671 ( 0.458 -0.796 -1.076) 1.415 1.678 ( -0.352 1.059 3.227) 3.414 1.711 ( 0.302 -0.394 -1.462) 1.544 1.780 ( 5.504 2.603 -0.404) 6.102 1.848 ( 4.350 -0.954 -0.248) 4.460 1.916 ( 0.450 -2.754 -2.260) 3.591 1.958 ( -3.019 -1.034 8.456) 9.038 2.640 ( -4.255 -0.317 -16.636) 17.174 2.802 ( 3.848 -0.060 1.225) 4.039 2.883 ( 5.476 -0.203 -3.457) 6.479 3.044 ( 0.414 -0.120 0.099) 0.442 3.170 ( 3.160 0.014 -8.720) 9.274 3.299 ( 6.330 -0.017 2.029) 6.647 3.424 ( 8.973 0.649 -4.928) 10.257 3.570 ( -1.801 -0.030 1.533) 2.365 3.662 ( -0.740 -0.246 -1.887) 2.042 3.801 ( -2.160 0.115 2.361) 3.202 3.823 ( 1.722 -0.085 -0.569) 1.815 3.965 ( -0.491 0.058 -1.430) 1.513 3.985 ( -2.173 0.013 0.260) 2.188 4.295 ( -0.427 0.733 6.633) 6.687 4.601 ( -0.092 4.350 -4.033) 5.932 4.951 ( -1.885 -0.091 5.520) 5.834 5.300 ( -2.973 -0.381 -8.475) 8.989 5.602 ( -1.637 -0.144 3.738) 4.084 5.654 ( -6.043 0.489 3.051) 6.787 ======================= Grid point 153 (46/129) ======================= q-point: ( 0.17 0.00 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 15.737 3.013 4.164) 16.555 0.705 ( 12.282 -2.449 4.182) 13.204 0.869 ( 11.065 -0.766 -1.004) 11.137 0.956 ( 1.753 0.252 -3.289) 3.736 1.194 ( 16.777 -2.383 15.218) 22.776 1.262 ( 1.311 -0.383 1.394) 1.952 1.370 ( 1.035 0.338 -1.359) 1.741 1.464 ( 1.773 5.967 -0.066) 6.226 1.563 ( 2.504 3.261 -3.007) 5.094 1.630 ( -0.203 -1.171 3.608) 3.799 1.666 ( 4.343 -1.169 -2.789) 5.292 1.707 ( 2.042 -0.483 1.040) 2.342 1.715 ( 0.066 -2.439 0.719) 2.544 1.877 ( 2.423 1.389 -0.947) 2.949 1.886 ( 0.471 0.056 5.986) 6.004 1.976 ( 7.555 -1.396 1.594) 7.846 2.069 ( 10.241 -1.608 -1.294) 10.447 2.572 ( -2.676 -0.595 -15.842) 16.078 2.889 ( 4.624 -0.133 1.689) 4.925 2.997 ( 5.548 -0.468 -3.387) 6.517 3.051 ( 0.472 -0.352 0.035) 0.590 3.168 ( -1.339 -0.199 -5.000) 5.180 3.445 ( 7.957 0.181 1.539) 8.107 3.529 ( -2.217 0.077 1.900) 2.921 3.537 ( 1.774 0.362 -3.429) 3.878 3.642 ( -1.976 -0.171 -1.179) 2.307 3.792 ( 2.130 0.740 0.262) 2.270 3.823 ( -3.153 -0.287 -0.724) 3.248 3.935 ( -1.492 0.060 -0.682) 1.642 3.952 ( -0.595 -0.066 -2.481) 2.553 4.307 ( 2.116 0.625 7.788) 8.094 4.552 ( -2.807 3.623 0.173) 4.587 4.908 ( -2.430 0.423 3.269) 4.095 5.208 ( -6.938 -0.681 -7.099) 9.950 5.553 ( -4.142 0.318 3.307) 5.309 5.575 ( -1.161 0.120 1.920) 2.247 ======================= Grid point 154 (47/129) ======================= q-point: ( 0.25 0.00 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 12.128 2.860 3.484) 12.939 0.919 ( 9.661 2.032 1.832) 10.041 1.002 ( 3.379 -0.443 -0.362) 3.428 1.080 ( 10.476 0.608 1.979) 10.678 1.305 ( 2.687 -1.336 1.502) 3.355 1.371 ( 0.398 -1.662 -2.378) 2.928 1.437 ( 5.718 -3.104 6.909) 9.490 1.472 ( 1.029 6.521 2.598) 7.095 1.521 ( -1.016 5.397 -0.743) 5.541 1.588 ( -3.393 -1.670 1.085) 3.934 1.717 ( -1.106 -2.581 1.977) 3.434 1.810 ( 11.682 -3.390 2.888) 12.502 1.856 ( 0.573 0.658 3.422) 3.531 1.899 ( 2.823 -1.497 0.616) 3.254 1.937 ( 9.313 0.092 -0.850) 9.352 2.154 ( 8.752 -1.277 1.379) 8.951 2.258 ( 7.718 -0.264 -2.108) 8.005 2.543 ( -0.829 -0.296 -15.635) 15.660 2.956 ( 1.801 0.049 2.110) 2.775 3.056 ( 1.759 -0.220 1.416) 2.269 3.091 ( 1.835 -0.266 -3.388) 3.862 3.161 ( 1.149 -0.331 -2.815) 3.058 3.479 ( -1.738 0.128 0.615) 1.848 3.520 ( -2.288 0.012 -1.045) 2.515 3.578 ( 4.068 0.229 0.178) 4.078 3.591 ( -2.765 0.074 0.075) 2.767 3.722 ( -4.253 0.025 1.597) 4.543 3.854 ( 2.696 0.594 -3.870) 4.754 3.938 ( 0.828 0.048 0.526) 0.982 3.954 ( 0.893 0.056 -0.525) 1.038 4.358 ( 3.218 0.590 6.203) 7.013 4.468 ( -4.186 1.883 4.285) 6.279 4.856 ( -2.504 1.047 -0.048) 2.714 5.052 ( -9.334 -0.741 -5.291) 10.755 5.484 ( -3.008 -0.030 3.143) 4.350 5.563 ( 0.009 0.713 0.072) 0.717 ======================= Grid point 155 (48/129) ======================= q-point: ( 0.33 0.00 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 1.715 1.100 0.908) 2.231 1.050 ( 0.195 0.461 -0.855) 0.991 1.103 ( 7.930 3.788 3.193) 9.350 1.247 ( 7.181 1.745 2.913) 7.943 1.368 ( 3.180 -1.274 1.709) 3.829 1.404 ( -0.422 0.821 -0.089) 0.928 1.431 ( 0.297 1.090 4.883) 5.012 1.490 ( 5.448 2.336 1.474) 6.108 1.528 ( -3.085 -1.971 2.066) 4.204 1.594 ( 4.836 -0.922 -0.089) 4.924 1.703 ( 0.180 -1.469 3.082) 3.419 1.827 ( -2.245 0.331 2.856) 3.648 1.882 ( -3.195 -1.812 -1.063) 3.824 2.095 ( 13.500 -2.142 2.449) 13.887 2.145 ( 8.761 0.525 1.121) 8.848 2.293 ( 4.275 -1.422 -0.568) 4.541 2.344 ( 1.658 -0.979 -1.713) 2.577 2.536 ( 0.019 0.251 -16.256) 16.258 2.950 ( -2.062 0.370 2.116) 2.977 3.072 ( -3.104 0.159 -2.343) 3.892 3.117 ( 4.535 0.029 2.591) 5.223 3.227 ( 5.345 -0.194 -1.992) 5.707 3.471 ( 0.844 0.314 -0.743) 1.167 3.484 ( -0.861 -0.125 -0.396) 0.956 3.546 ( -1.805 0.487 -0.450) 1.923 3.576 ( -2.099 0.170 -1.496) 2.583 3.718 ( 1.956 -0.029 3.635) 4.128 3.879 ( 0.536 0.183 -3.226) 3.276 3.948 ( 0.131 0.097 1.591) 1.599 3.968 ( 0.089 0.142 0.426) 0.457 4.386 ( -3.388 0.706 7.135) 7.930 4.417 ( 3.072 0.476 4.357) 5.352 4.805 ( -2.248 1.181 -2.912) 3.864 4.876 ( -9.006 -0.666 -4.008) 9.880 5.438 ( -1.899 -0.074 3.542) 4.019 5.563 ( 0.313 0.783 -1.220) 1.483 ======================= Grid point 156 (49/129) ======================= q-point: ( 0.42 0.00 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -3.153 -0.815 0.946) 3.391 1.028 ( -0.962 0.787 -1.780) 2.170 1.160 ( 0.580 2.977 4.512) 5.437 1.329 ( 2.569 0.155 1.201) 2.840 1.407 ( 2.469 1.858 2.619) 4.051 1.419 ( 3.250 2.628 -0.943) 4.284 1.489 ( -0.136 -0.763 7.081) 7.123 1.501 ( 3.134 -1.212 6.444) 7.268 1.569 ( -1.253 0.697 2.133) 2.569 1.652 ( 4.607 -2.735 -1.025) 5.454 1.775 ( -0.636 -0.332 -0.819) 1.089 1.788 ( 1.511 0.402 1.271) 2.015 1.821 ( -0.989 -1.635 -1.574) 2.476 2.236 ( 0.592 -0.181 1.127) 1.285 2.258 ( 0.193 1.788 1.129) 2.123 2.332 ( 4.436 -1.023 0.531) 4.584 2.401 ( 2.343 -2.453 -1.486) 3.703 2.542 ( 0.606 0.062 -17.233) 17.244 2.898 ( -2.393 0.318 1.948) 3.102 3.014 ( -2.173 -0.239 -2.261) 3.145 3.218 ( 5.300 0.363 3.224) 6.214 3.342 ( 6.096 0.377 -1.861) 6.385 3.470 ( -0.390 -0.038 -0.365) 0.535 3.502 ( 0.790 0.341 -1.894) 2.080 3.514 ( -0.891 0.287 -0.305) 0.985 3.545 ( -1.002 -0.028 -1.047) 1.449 3.746 ( 0.783 -0.042 3.618) 3.702 3.885 ( 0.401 -0.001 -2.068) 2.107 3.941 ( -0.676 0.054 1.867) 1.986 3.952 ( -1.462 0.021 0.826) 1.679 4.333 ( -1.886 0.182 8.528) 8.736 4.475 ( 3.200 0.361 3.220) 4.554 4.718 ( -6.757 -0.380 -2.977) 7.393 4.771 ( -1.486 0.653 -4.866) 5.130 5.412 ( -0.908 -0.032 3.927) 4.031 5.565 ( 0.194 0.490 -1.958) 2.028 ======================= Grid point 157 (50/129) ======================= q-point: (-0.50 0.00 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 -0.000 1.488) 1.488 1.012 ( 0.000 -0.000 -1.945) 1.945 1.153 ( 0.000 -0.000 4.434) 4.434 1.357 ( -0.000 -0.000 -1.855) 1.855 1.432 ( 0.000 -0.000 4.506) 4.506 1.454 ( 0.000 -0.000 1.670) 1.670 1.490 ( -0.000 -0.000 8.311) 8.311 1.519 ( 0.000 0.000 1.454) 1.454 1.559 ( 0.000 -0.000 6.510) 6.510 1.706 ( 0.000 -0.000 0.330) 0.330 1.736 ( 0.000 -0.000 -5.290) 5.290 1.798 ( 0.000 -0.000 1.151) 1.151 1.865 ( 0.000 -0.000 -1.188) 1.188 2.203 ( 0.000 -0.000 1.004) 1.004 2.259 ( 0.000 -0.000 0.795) 0.795 2.379 ( -0.000 -0.000 0.494) 0.494 2.435 ( 0.000 -0.000 -1.182) 1.182 2.550 ( 0.000 -0.000 -17.451) 17.451 2.873 ( 0.000 -0.000 2.007) 2.007 2.996 ( 0.000 -0.000 -2.452) 2.452 3.276 ( 0.000 -0.000 3.401) 3.401 3.431 ( 0.000 -0.000 -3.530) 3.530 3.443 ( -0.000 -0.000 0.545) 0.545 3.490 ( 0.000 -0.000 0.144) 0.144 3.520 ( 0.000 -0.000 -2.050) 2.050 3.537 ( 0.000 -0.000 -0.892) 0.892 3.752 ( 0.000 -0.000 3.799) 3.799 3.894 ( 0.000 -0.000 -1.926) 1.926 3.931 ( 0.000 -0.000 1.193) 1.193 3.932 ( 0.000 -0.000 1.864) 1.864 4.314 ( 0.000 -0.000 8.964) 8.964 4.519 ( 0.000 -0.000 3.484) 3.484 4.638 ( 0.000 -0.000 -3.335) 3.335 4.756 ( 0.000 -0.000 -5.403) 5.403 5.403 ( 0.000 -0.000 4.063) 4.063 5.566 ( 0.000 -0.000 -2.203) 2.203 ======================= Grid point 165 (51/129) ======================= q-point: ( 0.08 0.08 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 16.470 0.000 3.505) 16.839 0.688 ( 12.614 0.000 4.654) 13.445 0.865 ( 11.395 0.000 -1.255) 11.464 0.957 ( 1.753 0.000 -3.917) 4.292 1.181 ( 16.814 0.000 15.777) 23.057 1.261 ( 0.977 0.000 1.378) 1.689 1.371 ( 0.384 0.000 -1.427) 1.478 1.499 ( 3.263 0.000 0.201) 3.269 1.585 ( 5.318 0.000 -2.750) 5.987 1.618 ( -3.871 -0.000 3.431) 5.173 1.655 ( 2.989 0.000 -2.470) 3.878 1.695 ( 0.543 0.000 -1.010) 1.146 1.713 ( 2.088 0.000 2.323) 3.124 1.885 ( 2.464 0.000 -1.929) 3.129 1.885 ( -0.400 0.000 6.914) 6.926 1.969 ( 7.880 0.000 1.561) 8.034 2.061 ( 11.088 0.000 -1.184) 11.151 2.569 ( -2.610 -0.000 -15.943) 16.156 2.888 ( 4.643 0.000 1.664) 4.932 2.995 ( 5.621 0.000 -3.420) 6.580 3.049 ( 0.452 0.000 0.003) 0.452 3.167 ( -1.355 -0.000 -5.064) 5.242 3.446 ( 7.941 0.000 1.576) 8.096 3.529 ( -2.188 -0.000 1.914) 2.907 3.539 ( 1.567 0.000 -3.419) 3.761 3.641 ( -1.919 -0.000 -1.139) 2.232 3.796 ( 2.480 0.000 0.043) 2.480 3.821 ( -3.387 -0.000 -0.687) 3.456 3.935 ( -1.503 -0.000 -0.751) 1.680 3.951 ( -0.596 -0.000 -2.535) 2.604 4.310 ( 2.026 0.000 7.802) 8.060 4.571 ( -3.711 -0.000 -0.367) 3.729 4.910 ( -2.273 -0.000 2.848) 3.644 5.205 ( -6.910 -0.000 -6.928) 9.785 5.555 ( -4.369 -0.000 3.343) 5.501 5.575 ( -0.904 -0.000 2.042) 2.234 ======================= Grid point 166 (52/129) ======================= q-point: ( 0.17 0.08 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 9.387 0.146 2.230) 9.650 0.949 ( 14.096 2.213 2.527) 14.491 0.999 ( 2.757 -0.174 -0.464) 2.801 1.081 ( 10.720 -0.145 2.806) 11.082 1.296 ( 2.816 -0.393 0.354) 2.866 1.354 ( -0.951 -1.197 -3.711) 4.013 1.415 ( 6.500 -1.133 9.674) 11.710 1.525 ( -1.675 3.728 2.589) 4.838 1.566 ( -3.047 -1.188 0.025) 3.271 1.589 ( -1.291 5.980 0.152) 6.120 1.671 ( 2.101 -5.976 1.385) 6.484 1.792 ( 10.521 -0.518 3.692) 11.162 1.865 ( 1.196 1.255 1.437) 2.252 1.882 ( 0.921 -1.758 2.453) 3.156 1.937 ( 9.894 0.041 -0.940) 9.939 2.145 ( 8.773 -0.424 1.548) 8.919 2.256 ( 7.889 -0.116 -2.075) 8.158 2.541 ( -0.579 -0.104 -15.765) 15.776 2.956 ( 1.919 0.016 2.106) 2.849 3.055 ( 1.845 -0.082 1.382) 2.306 3.090 ( 2.071 -0.087 -3.389) 3.973 3.158 ( 1.161 -0.122 -2.843) 3.073 3.480 ( -1.714 0.054 0.648) 1.833 3.520 ( -2.350 0.003 -0.999) 2.553 3.579 ( 4.036 0.084 0.236) 4.044 3.591 ( -2.629 0.023 0.085) 2.630 3.722 ( -4.288 0.010 1.564) 4.564 3.858 ( 2.521 0.207 -3.954) 4.694 3.938 ( 0.849 0.013 0.487) 0.979 3.954 ( 0.970 0.021 -0.538) 1.109 4.362 ( 3.148 0.217 6.267) 7.016 4.481 ( -4.952 0.666 4.163) 6.503 4.864 ( -2.429 0.430 -0.726) 2.571 5.047 ( -9.269 -0.297 -5.143) 10.605 5.484 ( -3.051 0.005 3.412) 4.578 5.568 ( 0.043 0.253 0.083) 0.270 ======================= Grid point 167 (53/129) ======================= q-point: ( 0.25 0.08 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 1.077 1.155 0.717) 1.734 1.044 ( 0.614 -1.053 -0.877) 1.502 1.148 ( 7.326 4.301 3.284) 9.108 1.257 ( 6.922 0.117 5.344) 8.745 1.358 ( 3.626 -0.277 -0.785) 3.720 1.393 ( 3.091 -2.334 -0.394) 3.893 1.436 ( -0.264 0.416 5.832) 5.853 1.510 ( -2.710 -1.340 2.008) 3.629 1.532 ( 1.936 4.742 1.095) 5.238 1.593 ( 4.795 0.445 -0.056) 4.816 1.685 ( 0.250 -2.126 3.414) 4.030 1.830 ( -2.903 0.290 1.480) 3.272 1.861 ( -3.036 -2.024 1.468) 3.933 2.078 ( 14.844 -1.204 2.889) 15.170 2.149 ( 8.747 0.272 0.881) 8.796 2.282 ( 5.005 -0.722 -0.906) 5.138 2.337 ( 0.644 -0.545 -1.881) 2.061 2.538 ( 0.076 0.149 -16.240) 16.241 2.953 ( -2.002 0.213 2.195) 2.978 3.073 ( -3.252 0.058 -2.208) 3.931 3.117 ( 4.772 0.039 2.661) 5.464 3.225 ( 5.532 -0.117 -1.879) 5.844 3.474 ( 1.049 0.284 -0.785) 1.341 3.482 ( -0.989 -0.153 -0.311) 1.048 3.550 ( -1.734 0.266 -0.523) 1.831 3.578 ( -2.164 0.087 -1.464) 2.614 3.718 ( 1.946 -0.014 3.664) 4.149 3.880 ( 0.391 0.101 -3.223) 3.248 3.949 ( 0.120 0.057 1.627) 1.633 3.969 ( 0.043 0.081 0.425) 0.434 4.391 ( -3.826 0.397 7.190) 8.154 4.421 ( 3.045 0.264 4.427) 5.380 4.815 ( -2.326 0.806 -3.515) 4.291 4.870 ( -8.981 -0.496 -3.874) 9.794 5.437 ( -1.879 -0.019 3.891) 4.321 5.569 ( 0.204 0.436 -1.192) 1.286 ======================= Grid point 168 (54/129) ======================= q-point: ( 0.33 0.08 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -3.229 -0.353 1.007) 3.401 1.033 ( -1.302 0.347 -2.119) 2.511 1.188 ( -0.344 2.514 4.586) 5.242 1.330 ( 1.837 -0.014 1.943) 2.674 1.420 ( 2.333 1.156 2.790) 3.816 1.445 ( 3.592 2.149 -0.262) 4.194 1.480 ( -0.411 -0.967 5.699) 5.795 1.492 ( 3.561 -0.727 6.619) 7.551 1.581 ( -1.837 1.376 1.524) 2.755 1.631 ( 4.525 -1.364 -0.513) 4.753 1.769 ( -0.014 -0.760 -0.538) 0.931 1.788 ( 3.510 -0.592 1.371) 3.814 1.803 ( -2.349 -1.453 -0.321) 2.780 2.235 ( 0.717 0.083 0.799) 1.077 2.276 ( -0.815 1.848 0.356) 2.051 2.323 ( 6.444 -0.695 0.745) 6.524 2.377 ( 2.441 -2.357 -1.087) 3.563 2.542 ( 0.468 0.011 -17.265) 17.271 2.901 ( -2.529 0.235 2.004) 3.235 3.012 ( -2.240 -0.175 -2.002) 3.009 3.221 ( 5.296 0.268 3.330) 6.261 3.346 ( 6.321 0.265 -1.723) 6.557 3.469 ( -0.472 -0.024 -0.318) 0.570 3.505 ( 0.899 0.197 -2.038) 2.236 3.517 ( -1.372 0.187 -0.457) 1.459 3.545 ( -1.015 0.039 -1.013) 1.435 3.745 ( 0.795 -0.027 3.667) 3.752 3.885 ( 0.378 -0.002 -2.040) 2.075 3.941 ( -0.702 0.042 1.924) 2.048 3.952 ( -1.504 0.014 0.884) 1.745 4.334 ( -2.019 0.126 8.581) 8.816 4.479 ( 3.113 0.258 3.318) 4.556 4.715 ( -6.783 -0.251 -2.989) 7.416 4.777 ( -1.643 0.460 -5.154) 5.429 5.411 ( -0.891 -0.012 4.178) 4.272 5.569 ( -0.014 0.351 -1.922) 1.954 ======================= Grid point 169 (55/129) ======================= q-point: ( 0.42 0.08 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.783 0.278 1.286) 1.532 1.009 ( -0.640 -0.563 -2.051) 2.221 1.157 ( -1.452 0.830 4.788) 5.072 1.357 ( 0.489 -0.177 -1.446) 1.536 1.427 ( -1.583 -0.671 5.233) 5.508 1.458 ( -2.269 0.494 0.830) 2.466 1.487 ( -0.271 -0.223 6.836) 6.845 1.528 ( 1.999 1.149 1.237) 2.617 1.560 ( -0.168 0.353 7.746) 7.756 1.694 ( 2.485 -2.231 0.069) 3.341 1.738 ( -1.282 0.293 -4.918) 5.090 1.801 ( 0.502 0.659 1.180) 1.442 1.863 ( 0.342 -0.570 -0.994) 1.196 2.209 ( -0.056 1.153 0.550) 1.278 2.258 ( -0.306 -0.139 0.647) 0.729 2.374 ( -0.549 -0.900 0.674) 1.251 2.437 ( 1.844 0.393 -1.025) 2.146 2.550 ( 0.021 -0.029 -17.413) 17.413 2.873 ( -0.165 -0.016 2.004) 2.011 2.996 ( 0.265 0.034 -2.466) 2.480 3.276 ( -0.325 -0.028 3.392) 3.408 3.430 ( -2.379 -0.186 -3.240) 4.024 3.444 ( 1.958 0.219 0.240) 1.985 3.491 ( -0.034 0.212 0.165) 0.271 3.516 ( -0.288 -0.587 -1.819) 1.933 3.539 ( 0.183 0.347 -1.126) 1.193 3.752 ( 0.026 0.006 3.797) 3.797 3.894 ( 0.004 0.007 -1.929) 1.929 3.931 ( 0.006 -0.002 1.194) 1.194 3.932 ( -0.022 -0.009 1.866) 1.867 4.314 ( -0.070 -0.005 8.963) 8.963 4.519 ( -0.337 -0.029 3.476) 3.493 4.638 ( 0.387 0.037 -3.328) 3.350 4.756 ( -0.382 0.001 -5.399) 5.413 5.403 ( 0.013 0.000 4.063) 4.063 5.566 ( -0.261 -0.000 -2.203) 2.219 ======================= Grid point 170 (56/129) ======================= q-point: (-0.50 0.08 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 2.794 1.105 0.759) 3.099 1.019 ( 1.050 -0.912 -1.033) 1.733 1.132 ( -1.771 -2.560 4.366) 5.362 1.329 ( -4.093 0.005 0.951) 4.202 1.374 ( -2.704 -4.041 -0.595) 4.898 1.403 ( -2.998 -1.057 1.018) 3.337 1.495 ( -1.086 0.566 8.751) 8.836 1.513 ( -2.084 0.994 5.299) 5.780 1.571 ( 1.886 1.113 2.384) 3.237 1.683 ( -3.638 3.384 -1.492) 5.188 1.777 ( -0.220 -0.097 -0.557) 0.607 1.780 ( 0.180 -1.106 0.650) 1.295 1.831 ( 0.453 0.309 -2.019) 2.092 2.239 ( -0.964 0.520 1.305) 1.704 2.242 ( -0.611 -1.333 1.243) 1.922 2.342 ( -2.508 0.976 0.511) 2.739 2.425 ( -2.148 2.135 -1.623) 3.436 2.541 ( -0.768 -0.124 -17.166) 17.183 2.895 ( 2.245 -0.316 1.890) 2.952 3.016 ( 2.053 0.238 -2.560) 3.290 3.214 ( -5.279 -0.360 3.100) 6.132 3.338 ( -5.861 -0.396 -2.036) 6.217 3.470 ( 0.307 0.046 -0.413) 0.517 3.498 ( -0.855 -0.424 -1.706) 1.955 3.511 ( 0.677 -0.302 -0.097) 0.748 3.546 ( 0.826 0.098 -1.134) 1.406 3.746 ( -0.769 0.047 3.560) 3.643 3.885 ( -0.430 -0.002 -2.101) 2.144 3.940 ( 0.647 -0.051 1.805) 1.918 3.952 ( 1.417 -0.022 0.758) 1.607 4.331 ( 1.724 -0.194 8.462) 8.638 4.472 ( -3.298 -0.370 3.108) 4.547 4.722 ( 6.754 0.450 -2.978) 7.395 4.764 ( 1.272 -0.708 -4.516) 4.745 5.412 ( 0.947 0.051 3.634) 3.756 5.560 ( -0.447 -0.504 -1.996) 2.106 ======================= Grid point 171 (57/129) ======================= q-point: (-0.42 0.08 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -2.097 -0.768 1.196) 2.533 1.021 ( -5.377 -4.554 2.357) 7.430 1.090 ( -3.000 0.434 0.088) 3.033 1.227 ( -7.394 -2.182 0.875) 7.759 1.365 ( 0.306 -3.525 -0.620) 3.592 1.389 ( -3.249 -0.217 4.517) 5.568 1.410 ( -0.117 -2.286 3.973) 4.585 1.498 ( -6.104 2.844 1.653) 6.934 1.547 ( 3.134 1.792 1.728) 4.002 1.614 ( -4.848 2.867 -0.287) 5.639 1.713 ( 0.030 0.460 2.685) 2.725 1.824 ( 2.092 -0.357 3.486) 4.081 1.893 ( 2.797 0.369 -2.477) 3.754 2.119 ( -11.547 2.368 1.740) 11.915 2.140 ( -8.680 -0.534 1.452) 8.817 2.310 ( -3.485 1.842 -0.231) 3.948 2.355 ( -3.090 1.187 -1.512) 3.639 2.533 ( 0.103 -0.276 -16.287) 16.290 2.946 ( 2.136 -0.430 2.006) 2.962 3.070 ( 2.869 -0.271 -2.495) 3.812 3.117 ( -4.181 0.019 2.477) 4.860 3.229 ( -5.071 0.211 -2.133) 5.505 3.468 ( -0.724 -0.188 -0.740) 1.052 3.485 ( 0.871 0.032 -0.522) 1.016 3.540 ( 1.877 -0.612 -0.310) 1.999 3.574 ( 2.018 -0.222 -1.536) 2.546 3.719 ( -1.969 0.042 3.597) 4.101 3.877 ( -0.748 -0.223 -3.225) 3.318 3.947 ( -0.149 -0.108 1.542) 1.553 3.967 ( -0.153 -0.165 0.428) 0.484 4.378 ( 2.817 -0.847 7.076) 7.663 4.412 ( -3.165 -0.577 4.245) 5.326 4.793 ( 2.061 -1.188 -2.201) 3.240 4.883 ( 9.145 0.626 -4.081) 10.034 5.439 ( 1.955 0.161 3.052) 3.628 5.554 ( -0.484 -0.958 -1.241) 1.641 ======================= Grid point 172 (58/129) ======================= q-point: (-0.33 0.08 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -13.024 -5.022 4.099) 14.548 0.915 ( -5.993 0.274 1.822) 6.270 1.007 ( -4.760 0.363 -0.214) 4.779 1.069 ( -9.744 -1.420 0.910) 9.889 1.319 ( -2.480 1.075 3.732) 4.608 1.367 ( -4.129 -3.767 0.710) 5.634 1.411 ( -0.683 -3.682 -0.676) 3.806 1.477 ( -2.009 2.605 3.123) 4.536 1.485 ( -1.494 -0.140 0.756) 1.680 1.604 ( 3.323 1.605 0.840) 3.785 1.725 ( -0.415 -0.291 3.034) 3.076 1.849 ( -3.759 1.515 4.472) 6.036 1.855 ( -5.744 2.321 1.359) 6.342 1.910 ( -6.196 0.674 0.447) 6.249 1.937 ( -7.838 0.427 -0.897) 7.901 2.170 ( -8.743 1.948 1.039) 9.018 2.261 ( -7.420 0.213 -2.124) 7.721 2.547 ( 1.246 0.430 -15.410) 15.466 2.955 ( -1.600 -0.079 2.114) 2.652 3.059 ( -1.584 0.295 1.461) 2.175 3.095 ( -1.384 0.431 -3.398) 3.695 3.165 ( -1.152 0.444 -2.770) 3.033 3.478 ( 1.754 -0.125 0.544) 1.840 3.520 ( 2.193 -0.025 -1.121) 2.463 3.575 ( -4.118 -0.310 0.076) 4.130 3.590 ( 3.018 -0.130 0.062) 3.021 3.722 ( 4.201 -0.022 1.651) 4.513 3.846 ( -3.038 -0.896 -3.698) 4.869 3.937 ( -0.804 -0.093 0.598) 1.006 3.953 ( -0.766 -0.075 -0.503) 0.920 4.351 ( -3.334 -0.797 6.094) 6.992 4.445 ( 2.833 -2.707 4.555) 6.008 4.845 ( 2.692 -1.186 0.972) 3.098 5.060 ( 9.437 0.891 -5.476) 10.947 5.485 ( 2.944 0.163 2.665) 3.974 5.554 ( 0.057 -1.048 0.077) 1.053 ======================= Grid point 173 (59/129) ======================= q-point: (-0.25 0.08 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -13.963 -1.914 4.682) 14.851 0.731 ( -11.136 2.724 3.641) 12.029 0.877 ( -10.139 0.614 -0.202) 10.159 0.951 ( -1.753 -0.652 -1.581) 2.449 1.219 ( -15.598 1.747 13.311) 20.580 1.270 ( -2.329 1.055 1.749) 3.098 1.361 ( -3.236 -1.712 -0.656) 3.719 1.403 ( -0.220 -4.959 -0.717) 5.015 1.532 ( -1.174 -2.709 -4.333) 5.244 1.635 ( -2.332 -0.186 4.459) 5.036 1.673 ( -4.296 0.420 -2.731) 5.107 1.702 ( -2.075 -0.745 2.606) 3.414 1.754 ( -1.350 3.990 -0.539) 4.246 1.860 ( -4.404 -1.832 -2.161) 5.237 1.885 ( 0.059 -0.063 7.248) 7.248 1.995 ( -6.950 2.180 1.766) 7.495 2.090 ( -8.486 2.370 -1.560) 8.948 2.581 ( 2.849 1.024 -15.559) 15.851 2.891 ( -4.572 0.222 1.758) 4.904 3.004 ( -5.335 0.893 -3.309) 6.341 3.056 ( -0.541 0.647 0.095) 0.849 3.170 ( 1.293 0.309 -4.815) 4.996 3.443 ( -8.001 -0.307 1.437) 8.134 3.528 ( 2.255 -0.128 1.833) 2.909 3.532 ( -2.353 -0.700 -3.411) 4.203 3.644 ( 2.144 0.313 -1.292) 2.522 3.783 ( -1.708 -1.098 0.805) 2.184 3.826 ( 3.068 0.247 -0.742) 3.166 3.934 ( 1.473 -0.100 -0.492) 1.556 3.952 ( 0.564 0.050 -2.350) 2.417 4.298 ( -2.352 -1.049 7.748) 8.165 4.502 ( 0.613 -6.117 1.670) 6.370 4.903 ( 2.864 -0.435 4.122) 5.038 5.217 ( 6.945 0.973 -7.443) 10.226 5.549 ( 3.611 -0.494 3.239) 4.877 5.573 ( 1.822 -0.147 1.587) 2.421 ======================= Grid point 174 (60/129) ======================= q-point: (-0.17 0.08 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( -9.578 3.721 5.940) 11.869 0.505 ( -9.349 5.103 7.240) 12.878 0.682 ( -9.501 3.027 -2.672) 10.323 0.878 ( -12.873 1.794 16.634) 21.110 0.942 ( -1.738 1.534 -4.466) 5.032 1.235 ( -2.004 -1.188 0.829) 2.472 1.318 ( -2.534 -3.323 2.741) 4.998 1.383 ( -6.386 -1.555 2.409) 7.000 1.459 ( 0.173 -3.124 -2.801) 4.199 1.636 ( 0.647 -3.218 0.430) 3.311 1.663 ( -0.981 -1.649 -0.475) 1.976 1.679 ( -0.611 0.345 -0.941) 1.174 1.720 ( -1.235 1.247 -1.323) 2.198 1.749 ( -6.259 -2.869 -0.828) 6.935 1.857 ( -2.444 0.535 2.212) 3.339 1.956 ( 0.930 4.511 -1.880) 4.974 1.978 ( 1.783 3.068 6.801) 7.671 2.646 ( 4.141 0.865 -16.389) 16.926 2.803 ( -3.885 0.162 1.238) 4.081 2.886 ( -5.635 0.561 -3.400) 6.605 3.047 ( -0.515 0.338 0.186) 0.643 3.169 ( -3.508 -0.052 -8.318) 9.028 3.299 ( -6.053 0.023 1.857) 6.332 3.411 ( -9.014 -1.780 -4.312) 10.149 3.570 ( 1.856 0.074 1.590) 2.445 3.667 ( 0.885 0.680 -1.977) 2.270 3.798 ( 2.267 -0.302 2.700) 3.539 3.825 ( -1.731 0.192 -0.529) 1.821 3.964 ( 0.252 -0.282 -1.201) 1.259 3.985 ( 2.193 -0.019 0.473) 2.243 4.281 ( -0.384 -2.056 7.153) 7.453 4.526 ( -2.053 -9.775 0.279) 9.992 4.953 ( 2.118 0.323 5.735) 6.122 5.306 ( 2.871 0.652 -8.805) 9.284 5.605 ( 1.996 0.373 3.346) 3.913 5.646 ( 5.262 -0.935 2.865) 6.064 ======================= Grid point 175 (61/129) ======================= q-point: (-0.08 0.08 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.229 ( 0.000 11.453 5.229) 12.590 0.379 ( 0.000 5.359 14.302) 15.273 0.532 ( 0.000 2.372 1.835) 2.999 0.741 ( 0.000 1.355 16.939) 16.993 0.929 ( 0.000 0.983 -9.970) 10.018 1.220 ( -0.000 -3.353 -3.502) 4.848 1.291 ( -0.000 -0.578 5.678) 5.707 1.334 ( -0.000 -0.621 6.168) 6.199 1.477 ( -0.000 -2.068 -2.461) 3.215 1.643 ( -0.000 -0.876 0.567) 1.043 1.668 ( -0.000 -5.284 -1.204) 5.419 1.679 ( 0.000 0.911 -0.755) 1.183 1.691 ( -0.000 -0.814 -0.536) 0.975 1.712 ( -0.000 -2.512 -3.009) 3.919 1.829 ( 0.000 2.643 0.555) 2.701 1.930 ( 0.000 4.012 -1.356) 4.235 2.063 ( 0.000 1.873 2.801) 3.370 2.698 ( 0.000 0.344 -18.809) 18.813 2.761 ( 0.000 0.080 0.995) 0.998 2.817 ( 0.000 0.114 -1.084) 1.090 3.032 ( 0.000 0.128 0.491) 0.507 3.037 ( 0.000 0.087 0.316) 0.327 3.236 ( 0.000 0.306 1.460) 1.492 3.332 ( -0.000 -0.605 -2.348) 2.424 3.590 ( 0.000 0.120 1.179) 1.185 3.673 ( 0.000 0.636 -1.761) 1.872 3.800 ( 0.000 0.046 0.609) 0.611 3.834 ( 0.000 0.039 -0.619) 0.620 3.963 ( -0.000 -0.645 2.206) 2.299 4.004 ( -0.000 -0.001 1.090) 1.090 4.293 ( -0.000 -3.014 6.172) 6.868 4.548 ( -0.000 -10.302 -0.810) 10.334 4.974 ( 0.000 0.366 5.826) 5.837 5.329 ( 0.000 0.493 -8.989) 9.002 5.623 ( 0.000 0.579 3.869) 3.913 5.731 ( -0.000 -2.677 -0.406) 2.707 ======================= Grid point 178 (62/129) ======================= q-point: ( 0.17 0.17 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.455 0.000 0.627) 0.775 1.037 ( 1.452 0.000 -0.634) 1.584 1.173 ( 6.525 0.000 3.058) 7.206 1.254 ( 6.850 0.000 6.295) 9.303 1.363 ( 2.928 0.000 -2.046) 3.572 1.374 ( 5.232 0.000 -0.399) 5.247 1.439 ( -0.406 -0.000 6.815) 6.827 1.503 ( -2.682 -0.000 1.810) 3.236 1.561 ( 0.493 0.000 0.048) 0.495 1.596 ( 5.226 0.000 0.345) 5.237 1.671 ( 0.369 0.000 3.643) 3.662 1.832 ( -4.076 -0.000 -0.726) 4.140 1.849 ( -2.082 -0.000 4.302) 4.779 2.072 ( 15.290 0.000 3.038) 15.589 2.151 ( 8.732 0.000 0.790) 8.767 2.279 ( 5.308 0.000 -1.047) 5.410 2.334 ( 0.275 0.000 -1.949) 1.968 2.539 ( 0.091 0.000 -16.235) 16.235 2.954 ( -1.979 -0.000 2.223) 2.976 3.073 ( -3.297 -0.000 -2.152) 3.937 3.117 ( 4.850 0.000 2.683) 5.543 3.224 ( 5.598 0.000 -1.837) 5.891 3.475 ( 1.321 0.000 -0.843) 1.567 3.481 ( -1.237 -0.000 -0.245) 1.261 3.551 ( -1.703 -0.000 -0.545) 1.788 3.578 ( -2.190 -0.000 -1.450) 2.627 3.718 ( 1.942 0.000 3.675) 4.157 3.881 ( 0.339 0.000 -3.221) 3.239 3.949 ( 0.117 0.000 1.641) 1.645 3.970 ( 0.026 0.000 0.424) 0.425 4.393 ( -3.993 -0.000 7.213) 8.244 4.422 ( 3.046 0.000 4.450) 5.393 4.819 ( -2.297 -0.000 -3.779) 4.422 4.867 ( -9.034 -0.000 -3.783) 9.794 5.437 ( -1.876 -0.000 4.017) 4.433 5.571 ( 0.166 0.000 -1.180) 1.192 ======================= Grid point 179 (63/129) ======================= q-point: ( 0.25 0.17 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -3.225 -0.080 1.022) 3.384 1.035 ( -1.634 0.081 -2.162) 2.711 1.206 ( -0.893 0.991 4.569) 4.760 1.330 ( 1.745 -0.083 2.455) 3.013 1.430 ( 2.598 0.725 1.916) 3.309 1.458 ( 1.723 0.320 0.893) 1.967 1.475 ( 2.142 0.315 8.336) 8.613 1.485 ( 3.526 -0.740 3.447) 4.986 1.591 ( -2.228 0.539 0.032) 2.292 1.624 ( 2.482 -0.176 0.417) 2.523 1.764 ( 0.280 -0.134 0.107) 0.328 1.776 ( 5.945 -1.178 0.747) 6.107 1.797 ( -3.251 -0.131 1.114) 3.439 2.236 ( 0.882 0.074 0.609) 1.074 2.291 ( -2.524 0.894 -0.840) 2.806 2.319 ( 8.902 -0.018 1.089) 8.968 2.357 ( 2.258 -1.314 -0.447) 2.650 2.542 ( 0.387 -0.003 -17.271) 17.276 2.903 ( -2.611 0.087 2.039) 3.314 3.010 ( -2.265 -0.064 -1.852) 2.926 3.223 ( 5.284 0.099 3.391) 6.279 3.347 ( 6.459 0.095 -1.649) 6.667 3.469 ( -0.522 -0.008 -0.289) 0.596 3.506 ( 1.048 0.061 -2.115) 2.361 3.518 ( -1.814 0.062 -0.523) 1.889 3.546 ( -0.945 0.028 -1.021) 1.392 3.745 ( 0.802 -0.009 3.694) 3.781 3.885 ( 0.366 -0.001 -2.024) 2.057 3.942 ( -0.717 0.016 1.958) 2.086 3.952 ( -1.530 0.005 0.918) 1.784 4.335 ( -2.093 0.044 8.611) 8.862 4.480 ( 3.061 0.093 3.374) 4.557 4.713 ( -6.798 -0.087 -3.000) 7.431 4.780 ( -1.732 0.166 -5.314) 5.592 5.411 ( -0.888 -0.002 4.321) 4.411 5.572 ( -0.130 0.127 -1.900) 1.909 ======================= Grid point 180 (64/129) ======================= q-point: ( 0.33 0.17 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 1.415 0.390 0.867) 1.705 1.002 ( -1.150 -0.723 -2.154) 2.547 1.168 ( -2.428 1.040 5.448) 6.054 1.352 ( 0.242 -0.693 -0.437) 0.855 1.423 ( -3.108 -0.098 5.983) 6.743 1.461 ( -1.917 0.092 0.572) 2.003 1.490 ( -1.055 0.718 3.774) 3.984 1.530 ( 1.562 -0.640 1.588) 2.317 1.574 ( 0.831 2.346 8.951) 9.290 1.666 ( 3.674 -3.140 -0.175) 4.836 1.741 ( -1.470 0.157 -4.716) 4.943 1.811 ( 1.210 1.256 1.005) 2.013 1.854 ( 0.328 -1.070 -0.495) 1.223 2.224 ( -0.121 1.522 -0.344) 1.565 2.256 ( -0.452 -0.470 0.197) 0.681 2.365 ( -0.694 -0.871 1.278) 1.695 2.441 ( 2.904 0.315 -0.790) 3.026 2.550 ( 0.038 -0.029 -17.336) 17.337 2.873 ( -0.287 -0.016 1.997) 2.018 2.996 ( 0.460 0.034 -2.495) 2.537 3.276 ( -0.563 -0.027 3.374) 3.420 3.428 ( -3.292 -0.146 -2.960) 4.430 3.446 ( 2.558 0.178 -0.071) 2.566 3.494 ( -0.030 0.350 0.296) 0.460 3.510 ( -0.416 -0.624 -1.683) 1.842 3.542 ( 0.209 0.246 -1.357) 1.395 3.752 ( 0.045 0.006 3.793) 3.794 3.894 ( 0.006 0.007 -1.936) 1.936 3.931 ( 0.016 -0.002 1.195) 1.195 3.932 ( -0.044 -0.009 1.873) 1.873 4.314 ( -0.121 -0.005 8.960) 8.961 4.519 ( -0.581 -0.029 3.462) 3.510 4.638 ( 0.667 0.037 -3.315) 3.381 4.756 ( -0.663 0.001 -5.393) 5.434 5.403 ( 0.022 0.000 4.063) 4.063 5.566 ( -0.452 -0.000 -2.204) 2.250 ======================= Grid point 181 (65/129) ======================= q-point: (-0.58 0.17 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 0.990 0.102 0.320) 1.046 1.015 ( 3.096 0.467 -0.283) 3.143 1.110 ( -3.363 -1.846 4.564) 5.962 1.324 ( -6.413 -1.962 2.550) 7.175 1.342 ( -1.664 -1.019 -2.405) 3.097 1.393 ( -3.198 -1.018 -0.078) 3.357 1.500 ( -2.511 0.509 9.507) 9.846 1.519 ( -0.363 0.176 3.786) 3.807 1.589 ( 2.404 2.277 3.535) 4.844 1.716 ( -1.976 3.089 -2.269) 4.312 1.764 ( -0.868 -1.805 -0.260) 2.020 1.779 ( 1.000 0.381 0.189) 1.087 1.826 ( -0.372 -1.213 -1.644) 2.077 2.231 ( -1.702 -0.813 1.209) 2.240 2.246 ( -0.773 0.639 0.868) 1.327 2.350 ( -0.742 0.670 0.675) 1.206 2.443 ( -1.934 1.474 -1.611) 2.917 2.540 ( -0.926 -0.139 -17.094) 17.119 2.892 ( 2.125 -0.231 1.845) 2.824 3.018 ( 1.909 0.175 -2.818) 3.408 3.211 ( -5.238 -0.261 2.989) 6.036 3.335 ( -5.677 -0.304 -2.203) 6.097 3.470 ( 0.265 0.045 -0.449) 0.524 3.494 ( -1.010 -0.369 -1.512) 1.855 3.508 ( 0.638 -0.217 0.075) 0.678 3.547 ( 0.598 0.103 -1.230) 1.372 3.747 ( -0.757 0.038 3.509) 3.590 3.885 ( -0.458 -0.004 -2.129) 2.178 3.940 ( 0.625 -0.035 1.755) 1.863 3.952 ( 1.381 -0.017 0.698) 1.548 4.329 ( 1.578 -0.150 8.402) 8.550 4.468 ( -3.382 -0.277 3.013) 4.537 4.727 ( 6.878 0.422 -3.002) 7.517 4.757 ( 0.956 -0.601 -4.187) 4.336 5.412 ( 0.997 0.051 3.377) 3.521 5.555 ( -0.679 -0.379 -2.026) 2.170 ======================= Grid point 182 (66/129) ======================= q-point: (-0.50 0.17 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -4.674 -2.769 2.965) 6.189 0.984 ( -5.226 -1.640 2.487) 6.015 1.097 ( -1.076 0.694 -1.064) 1.665 1.206 ( -7.602 -1.871 -0.549) 7.848 1.321 ( -0.718 -4.193 0.175) 4.257 1.385 ( 0.646 -1.427 -1.591) 2.233 1.397 ( -4.653 0.068 9.250) 10.354 1.530 ( -4.324 3.132 1.606) 5.575 1.564 ( 1.792 1.804 2.009) 3.241 1.643 ( -5.199 2.639 -0.247) 5.836 1.715 ( 0.940 0.311 1.808) 2.062 1.820 ( 2.094 -0.272 3.848) 4.389 1.889 ( 2.481 -1.035 -3.024) 4.046 2.128 ( -9.252 -0.522 1.607) 9.405 2.147 ( -8.880 2.055 1.099) 9.181 2.328 ( -2.918 1.685 -0.035) 3.370 2.367 ( -4.603 1.081 -1.329) 4.911 2.531 ( 0.291 -0.223 -16.332) 16.336 2.942 ( 2.200 -0.376 1.895) 2.928 3.067 ( 2.636 -0.306 -2.623) 3.731 3.117 ( -3.827 0.053 2.356) 4.495 3.231 ( -4.773 0.172 -2.260) 5.283 3.467 ( -0.641 0.019 -0.790) 1.017 3.484 ( 0.950 -0.098 -0.690) 1.178 3.534 ( 1.926 -0.578 -0.100) 2.014 3.572 ( 1.937 -0.209 -1.574) 2.505 3.719 ( -1.980 0.043 3.561) 4.075 3.875 ( -0.978 -0.205 -3.216) 3.368 3.946 ( -0.172 -0.090 1.496) 1.509 3.965 ( -0.217 -0.145 0.432) 0.505 4.370 ( 2.256 -0.764 7.032) 7.424 4.406 ( -3.303 -0.521 4.120) 5.306 4.782 ( 1.887 -0.932 -1.545) 2.610 4.888 ( 9.300 0.477 -4.105) 10.177 5.441 ( 2.060 0.221 2.542) 3.279 5.545 ( -0.693 -0.893 -1.240) 1.678 ======================= Grid point 183 (67/129) ======================= q-point: (-0.42 0.17 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -11.373 -3.982 4.221) 12.768 0.921 ( -4.305 0.825 2.180) 4.896 1.008 ( -6.593 -0.018 -0.761) 6.636 1.054 ( -8.629 -1.615 0.631) 8.801 1.291 ( -4.261 -6.313 4.486) 8.839 1.346 ( -3.558 0.619 2.737) 4.531 1.383 ( -2.195 -2.721 -1.304) 3.731 1.483 ( 2.139 1.773 -1.264) 3.053 1.522 ( -4.155 3.726 3.049) 6.359 1.621 ( 2.800 1.823 0.408) 3.366 1.720 ( -1.941 -0.469 2.900) 3.521 1.850 ( 0.076 0.016 6.052) 6.053 1.876 ( -5.526 0.305 -0.894) 5.606 1.912 ( -10.838 -0.274 1.411) 10.933 1.953 ( -7.060 2.912 -0.946) 7.696 2.191 ( -8.830 2.123 0.633) 9.104 2.262 ( -7.017 -0.021 -2.062) 7.313 2.551 ( 1.700 0.454 -15.149) 15.251 2.954 ( -1.371 -0.094 2.111) 2.519 3.062 ( -1.344 0.296 1.508) 2.042 3.100 ( -0.783 0.514 -3.455) 3.580 3.169 ( -1.198 0.434 -2.723) 3.006 3.477 ( 1.727 -0.059 0.439) 1.783 3.519 ( 2.110 -0.032 -1.198) 2.427 3.572 ( -4.166 -0.309 -0.044) 4.178 3.588 ( 3.331 -0.172 0.049) 3.336 3.722 ( 4.162 -0.002 1.710) 4.500 3.836 ( -3.519 -1.017 -3.443) 5.027 3.936 ( -0.792 -0.123 0.682) 1.052 3.953 ( -0.634 -0.074 -0.477) 0.797 4.343 ( -3.453 -0.770 5.968) 6.938 4.417 ( 1.260 -2.847 4.949) 5.847 4.834 ( 2.972 -0.967 1.957) 3.688 5.069 ( 9.543 0.794 -5.616) 11.101 5.488 ( 2.900 0.371 2.077) 3.587 5.543 ( 0.127 -1.207 0.142) 1.222 ======================= Grid point 184 (68/129) ======================= q-point: (-0.33 0.17 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -10.722 0.545 4.436) 11.616 0.758 ( -10.223 2.736 2.666) 10.913 0.881 ( -8.679 0.131 1.027) 8.741 0.944 ( -1.925 -0.638 0.874) 2.208 1.208 ( -11.056 -4.460 8.532) 14.660 1.278 ( -2.475 0.479 2.090) 3.275 1.331 ( -4.197 -3.572 2.026) 5.872 1.396 ( -4.311 3.472 -0.689) 5.578 1.512 ( -1.636 -1.350 -4.868) 5.310 1.628 ( -3.428 -1.105 4.370) 5.663 1.676 ( -4.650 0.115 -2.385) 5.227 1.696 ( -1.239 -0.331 3.003) 3.266 1.778 ( -4.213 0.124 -0.375) 4.231 1.849 ( -5.260 0.129 -3.034) 6.074 1.886 ( 0.660 0.145 7.897) 7.926 2.017 ( -6.454 2.249 2.135) 7.160 2.114 ( -6.812 2.307 -1.896) 7.438 2.592 ( 3.084 1.179 -15.149) 15.505 2.893 ( -4.498 0.243 1.853) 4.871 3.014 ( -4.991 1.161 -3.207) 6.045 3.064 ( -0.692 0.843 0.073) 1.094 3.173 ( 1.224 0.288 -4.536) 4.707 3.439 ( -8.057 -0.343 1.294) 8.167 3.523 ( -3.432 -0.954 -3.394) 4.921 3.526 ( 2.444 -0.144 1.804) 3.041 3.648 ( 2.405 0.386 -1.464) 2.842 3.771 ( -1.406 -1.199 1.545) 2.409 3.827 ( 3.284 0.096 -0.679) 3.355 3.933 ( 1.457 -0.121 -0.235) 1.481 3.952 ( 0.462 -0.039 -2.193) 2.241 4.287 ( -2.633 -1.116 7.687) 8.202 4.437 ( -1.768 -6.750 3.626) 7.864 4.900 ( 3.403 -0.235 4.864) 5.940 5.227 ( 6.840 0.897 -7.725) 10.357 5.544 ( 3.064 -0.508 3.204) 4.462 5.572 ( 2.639 -0.075 1.151) 2.880 ======================= Grid point 185 (69/129) ======================= q-point: (-0.25 0.17 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -4.228 7.718 4.972) 10.108 0.557 ( -7.800 5.043 5.961) 11.036 0.715 ( -8.000 3.306 -0.696) 8.684 0.891 ( -9.235 0.658 9.948) 13.589 0.966 ( -4.639 3.249 2.241) 6.091 1.225 ( -4.363 -0.700 0.548) 4.452 1.280 ( -1.816 -4.147 1.657) 4.821 1.359 ( -3.731 -2.923 3.519) 5.903 1.426 ( -1.763 -3.505 -1.600) 4.237 1.602 ( -1.778 -3.425 0.490) 3.889 1.645 ( -1.905 -2.023 -1.463) 3.140 1.673 ( -1.318 -1.609 0.243) 2.094 1.724 ( -1.522 -0.603 -1.907) 2.513 1.742 ( -4.306 1.643 -2.515) 5.251 1.859 ( -2.082 -0.092 4.540) 4.996 1.996 ( 3.947 3.420 1.279) 5.377 2.016 ( -0.855 4.124 2.786) 5.049 2.656 ( 3.957 1.197 -15.908) 16.436 2.805 ( -3.947 0.216 1.269) 4.152 2.893 ( -5.977 0.783 -3.340) 6.892 3.051 ( -0.699 0.481 0.338) 0.914 3.169 ( -4.097 -0.120 -7.611) 8.644 3.299 ( -5.664 -0.031 1.617) 5.890 3.390 ( -8.843 -2.425 -3.257) 9.731 3.571 ( 1.943 0.084 1.718) 2.595 3.675 ( 1.121 0.950 -2.135) 2.592 3.795 ( 2.478 -0.421 3.358) 4.194 3.827 ( -1.778 0.193 -0.467) 1.849 3.959 ( -0.313 -0.696 -0.748) 1.069 3.985 ( 2.245 0.013 0.814) 2.389 4.256 ( -2.017 -2.896 8.172) 8.902 4.426 ( -2.953 -9.608 4.179) 10.886 4.957 ( 2.390 0.494 5.946) 6.427 5.311 ( 2.553 0.380 -8.816) 9.186 5.609 ( 2.735 0.388 2.955) 4.045 5.638 ( 4.268 -0.580 2.346) 4.905 ======================= Grid point 186 (70/129) ======================= q-point: (-0.17 0.17 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 0.000 12.975 2.904) 13.295 0.449 ( 0.000 8.347 11.716) 14.385 0.563 ( 0.000 3.759 -0.003) 3.759 0.761 ( 0.000 2.683 18.632) 18.824 0.943 ( 0.000 1.793 -9.169) 9.342 1.181 ( -0.000 -4.246 -1.857) 4.634 1.283 ( -0.000 -1.080 5.077) 5.191 1.320 ( -0.000 -2.288 6.395) 6.792 1.448 ( -0.000 -3.526 -2.175) 4.143 1.593 ( -0.000 -8.295 0.235) 8.298 1.631 ( -0.000 -1.461 0.885) 1.709 1.684 ( -0.000 -0.840 -2.114) 2.274 1.690 ( 0.000 1.252 -1.254) 1.772 1.707 ( 0.000 0.573 -4.531) 4.567 1.843 ( 0.000 0.346 3.236) 3.254 1.977 ( 0.000 4.992 -0.326) 5.002 2.084 ( 0.000 2.074 0.496) 2.132 2.703 ( 0.000 0.622 -18.074) 18.085 2.762 ( 0.000 0.139 0.988) 0.998 2.818 ( 0.000 0.194 -1.107) 1.124 3.033 ( 0.000 0.222 0.468) 0.518 3.039 ( 0.000 0.150 0.316) 0.350 3.239 ( 0.000 0.380 1.418) 1.468 3.324 ( -0.000 -0.865 -2.254) 2.415 3.591 ( 0.000 0.178 1.296) 1.308 3.682 ( 0.000 1.096 -1.919) 2.210 3.800 ( 0.000 0.080 0.617) 0.622 3.834 ( 0.000 0.067 -0.608) 0.611 3.952 ( -0.000 -1.696 3.993) 4.338 4.004 ( 0.000 0.044 1.468) 1.469 4.249 ( -0.000 -5.526 9.319) 10.834 4.442 ( -0.000 -9.565 4.170) 10.435 4.979 ( 0.000 0.620 5.937) 5.969 5.333 ( 0.000 0.170 -8.938) 8.940 5.631 ( 0.000 0.981 2.963) 3.122 5.704 ( -0.000 -2.430 1.066) 2.654 ======================= Grid point 191 (71/129) ======================= q-point: ( 0.25 0.25 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 1.722 0.000 0.644) 1.838 0.998 ( -1.419 -0.000 -2.152) 2.578 1.174 ( -2.722 -0.000 5.772) 6.381 1.347 ( -0.201 -0.000 0.061) 0.210 1.423 ( -3.528 -0.000 6.290) 7.212 1.461 ( -1.080 -0.000 0.821) 1.356 1.496 ( -2.476 -0.000 1.284) 2.789 1.524 ( 1.917 0.000 3.156) 3.693 1.592 ( 0.627 0.000 10.134) 10.154 1.644 ( 4.678 0.000 -1.551) 4.929 1.742 ( -1.478 -0.000 -4.687) 4.914 1.820 ( 1.879 0.000 0.742) 2.020 1.846 ( -0.084 -0.000 -0.108) 0.137 2.234 ( -0.177 -0.000 -0.818) 0.837 2.251 ( -0.446 -0.000 -0.098) 0.456 2.360 ( -0.712 -0.000 1.714) 1.856 2.443 ( 3.238 0.000 -0.695) 3.312 2.549 ( 0.045 0.000 -17.299) 17.299 2.873 ( -0.332 -0.000 1.994) 2.022 2.996 ( 0.532 0.000 -2.509) 2.564 3.276 ( -0.650 -0.000 3.365) 3.427 3.428 ( -3.507 -0.000 -2.883) 4.540 3.447 ( 2.657 0.000 -0.162) 2.662 3.496 ( 0.041 0.000 0.618) 0.619 3.506 ( -0.519 -0.000 -1.914) 1.983 3.543 ( 0.207 0.000 -1.430) 1.445 3.752 ( 0.052 0.000 3.791) 3.792 3.894 ( 0.007 0.000 -1.939) 1.939 3.931 ( 0.023 0.000 1.194) 1.195 3.932 ( -0.055 -0.000 1.877) 1.878 4.313 ( -0.140 -0.000 8.958) 8.959 4.518 ( -0.669 -0.000 3.455) 3.519 4.639 ( 0.769 0.000 -3.308) 3.396 4.756 ( -0.766 -0.000 -5.390) 5.444 5.403 ( 0.026 0.000 4.063) 4.063 5.566 ( -0.522 -0.000 -2.204) 2.265 ======================= Grid point 192 (72/129) ======================= q-point: (-0.67 0.25 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -0.515 -0.259 0.230) 0.620 1.023 ( 5.766 0.707 -0.537) 5.834 1.096 ( -5.465 -0.783 5.293) 7.649 1.302 ( -4.834 -1.389 1.412) 5.224 1.344 ( -4.013 0.436 -0.539) 4.072 1.384 ( -3.155 -0.588 -1.724) 3.643 1.504 ( -4.444 0.242 10.468) 11.374 1.519 ( 1.971 -0.069 2.255) 2.996 1.609 ( 2.524 1.270 4.613) 5.410 1.739 ( 0.538 1.205 -2.622) 2.936 1.748 ( -0.307 -0.998 -1.432) 1.772 1.788 ( -0.824 1.641 0.459) 1.893 1.809 ( -1.033 -2.135 -0.756) 2.489 2.226 ( -2.070 -0.267 1.081) 2.350 2.250 ( -1.067 0.287 0.414) 1.180 2.355 ( 0.369 0.233 0.871) 0.974 2.453 ( -1.787 0.531 -1.554) 2.427 2.538 ( -1.032 -0.064 -17.060) 17.091 2.891 ( 2.059 -0.084 1.820) 2.750 3.020 ( 1.807 0.064 -2.966) 3.474 3.209 ( -5.204 -0.095 2.923) 5.969 3.333 ( -5.580 -0.114 -2.305) 6.038 3.471 ( 0.271 0.021 -0.466) 0.540 3.492 ( -1.132 -0.149 -1.386) 1.796 3.507 ( 0.633 -0.077 0.164) 0.659 3.548 ( 0.453 0.043 -1.289) 1.367 3.747 ( -0.751 0.014 3.479) 3.559 3.885 ( -0.475 -0.002 -2.146) 2.198 3.940 ( 0.612 -0.012 1.728) 1.833 3.952 ( 1.361 -0.006 0.664) 1.515 4.328 ( 1.490 -0.057 8.365) 8.497 4.466 ( -3.429 -0.102 2.958) 4.530 4.730 ( 7.202 0.201 -3.034) 7.818 4.753 ( 0.521 -0.264 -3.977) 4.019 5.413 ( 1.035 0.022 3.226) 3.389 5.553 ( -0.820 -0.141 -2.042) 2.205 ======================= Grid point 193 (73/129) ======================= q-point: (-0.58 0.25 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -7.493 -2.376 4.546) 9.081 0.980 ( -3.243 0.075 2.046) 3.835 1.101 ( -0.742 0.195 -1.325) 1.531 1.191 ( -7.648 -1.013 -1.481) 7.856 1.289 ( -1.435 -2.252 0.364) 2.695 1.371 ( 0.347 -1.057 -2.428) 2.671 1.399 ( -4.541 0.214 9.340) 10.387 1.554 ( -0.654 1.585 0.075) 1.716 1.583 ( -2.213 1.948 4.152) 5.092 1.658 ( -5.255 0.245 0.355) 5.272 1.724 ( 1.649 1.265 0.137) 2.083 1.819 ( 2.102 -0.047 3.993) 4.513 1.876 ( 2.502 -1.439 -3.028) 4.183 2.123 ( -8.934 -0.486 1.867) 9.140 2.165 ( -7.683 1.348 0.422) 7.812 2.341 ( -2.686 0.973 0.037) 2.857 2.376 ( -5.733 0.655 -1.199) 5.894 2.529 ( 0.483 -0.119 -16.372) 16.380 2.938 ( 2.241 -0.219 1.811) 2.889 3.064 ( 2.487 -0.205 -2.712) 3.686 3.118 ( -3.587 0.043 2.275) 4.248 3.232 ( -4.537 0.095 -2.342) 5.107 3.468 ( -0.655 0.148 -0.881) 1.107 3.483 ( 1.107 -0.173 -0.834) 1.397 3.529 ( 1.944 -0.353 0.116) 1.979 3.571 ( 1.873 -0.127 -1.603) 2.469 3.719 ( -1.987 0.028 3.535) 4.055 3.873 ( -1.159 -0.124 -3.204) 3.409 3.945 ( -0.192 -0.051 1.465) 1.478 3.964 ( -0.265 -0.085 0.435) 0.516 4.364 ( 1.843 -0.455 7.006) 7.258 4.402 ( -3.420 -0.309 4.023) 5.289 4.775 ( 1.782 -0.506 -1.085) 2.147 4.892 ( 9.409 0.257 -4.108) 10.270 5.443 ( 2.182 0.172 2.150) 3.069 5.537 ( -0.887 -0.553 -1.219) 1.606 ======================= Grid point 194 (74/129) ======================= q-point: (-0.50 0.25 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -9.471 -2.341 4.090) 10.579 0.931 ( -2.767 1.228 2.533) 3.947 1.006 ( -8.439 -0.346 -1.907) 8.658 1.038 ( -7.432 -1.614 1.052) 7.678 1.233 ( -5.883 -4.839 5.019) 9.123 1.345 ( -4.328 -1.394 -0.426) 4.567 1.366 ( -1.469 -0.081 2.207) 2.652 1.507 ( 0.873 2.647 -0.403) 2.816 1.548 ( -2.029 1.314 1.844) 3.040 1.640 ( 2.268 1.887 0.154) 2.955 1.720 ( -2.990 0.391 1.944) 3.588 1.851 ( 0.747 0.200 6.910) 6.953 1.866 ( -4.684 -1.678 -1.792) 5.289 1.907 ( -12.126 -0.669 2.148) 12.333 1.985 ( -7.928 2.942 -1.146) 8.534 2.210 ( -9.063 1.710 0.287) 9.227 2.261 ( -6.498 -0.272 -1.906) 6.777 2.555 ( 2.065 0.342 -14.924) 15.070 2.953 ( -1.175 -0.080 2.102) 2.410 3.064 ( -1.112 0.222 1.559) 1.927 3.105 ( -0.165 0.436 -3.568) 3.598 3.173 ( -1.283 0.310 -2.685) 2.992 3.476 ( 1.656 0.007 0.325) 1.688 3.519 ( 2.070 -0.028 -1.255) 2.421 3.569 ( -4.201 -0.226 -0.150) 4.209 3.586 ( 3.621 -0.162 0.037) 3.625 3.722 ( 4.165 0.019 1.754) 4.519 3.827 ( -4.045 -0.843 -3.151) 5.196 3.935 ( -0.790 -0.109 0.754) 1.098 3.952 ( -0.536 -0.055 -0.454) 0.704 4.337 ( -3.533 -0.518 5.854) 6.857 4.391 ( -0.090 -2.181 5.352) 5.780 4.826 ( 3.247 -0.596 2.677) 4.250 5.076 ( 9.623 0.536 -5.699) 11.196 5.493 ( 2.963 0.555 1.479) 3.358 5.531 ( 0.106 -1.138 0.308) 1.184 ======================= Grid point 195 (75/129) ======================= q-point: (-0.42 0.25 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -6.749 2.617 3.179) 7.906 0.783 ( -9.991 2.017 0.908) 10.233 0.882 ( -6.762 0.288 3.068) 7.431 0.941 ( -2.101 -0.049 3.352) 3.957 1.144 ( -7.478 -7.530 5.548) 11.975 1.269 ( -3.772 -2.670 -0.629) 4.665 1.311 ( -3.748 0.051 5.272) 6.469 1.448 ( -7.003 6.026 0.419) 9.248 1.504 ( -3.918 -0.004 -4.519) 5.981 1.615 ( -2.938 -1.270 3.397) 4.668 1.674 ( -6.504 -0.545 -0.287) 6.533 1.696 ( 0.365 0.358 1.538) 1.621 1.758 ( -7.252 -3.467 -0.478) 8.053 1.860 ( -4.679 1.383 -1.631) 5.145 1.889 ( 0.597 0.620 6.813) 6.867 2.038 ( -6.124 1.787 2.592) 6.886 2.134 ( -5.611 1.722 -2.245) 6.285 2.603 ( 3.327 1.024 -14.711) 15.117 2.896 ( -4.420 0.199 1.948) 4.835 3.026 ( -4.520 1.099 -3.034) 5.554 3.072 ( -0.970 0.890 -0.176) 1.328 3.176 ( 1.147 0.166 -4.213) 4.370 3.436 ( -8.105 -0.281 1.148) 8.191 3.513 ( -4.684 -1.021 -3.364) 5.857 3.525 ( 2.592 -0.104 1.851) 3.187 3.652 ( 2.706 0.354 -1.670) 3.199 3.760 ( -1.118 -1.051 2.347) 2.804 3.828 ( 3.600 -0.025 -0.557) 3.643 3.932 ( 1.445 -0.118 0.013) 1.450 3.952 ( 0.288 -0.119 -2.053) 2.076 4.278 ( -2.802 -0.753 7.597) 8.132 4.374 ( -3.583 -5.650 5.387) 8.590 4.899 ( 3.859 -0.073 5.351) 6.598 5.234 ( 6.650 0.635 -7.880) 10.331 5.539 ( 2.694 -0.398 3.209) 4.209 5.572 ( 3.362 0.010 0.752) 3.445 ======================= Grid point 196 (76/129) ======================= q-point: (-0.33 0.25 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( -0.273 9.631 2.769) 10.025 0.601 ( -6.590 3.661 4.371) 8.714 0.747 ( -6.382 3.241 3.559) 7.994 0.889 ( -6.263 -0.927 6.882) 9.351 0.999 ( -5.036 2.741 4.780) 7.465 1.215 ( -6.680 -2.453 -0.592) 7.141 1.245 ( -0.400 -1.672 1.972) 2.616 1.335 ( -3.464 -1.415 3.814) 5.343 1.390 ( -3.566 -3.500 -0.626) 5.035 1.568 ( -5.880 -3.512 0.744) 6.889 1.623 ( -1.853 -2.189 -0.669) 2.945 1.653 ( -0.578 -2.150 -0.333) 2.251 1.722 ( 0.053 0.189 -3.155) 3.162 1.761 ( -4.394 1.796 -2.878) 5.551 1.857 ( -2.186 -0.228 6.017) 6.406 2.026 ( 4.279 2.620 3.613) 6.184 2.053 ( -1.273 3.127 0.518) 3.415 2.668 ( 3.772 1.244 -15.288) 15.796 2.807 ( -4.014 0.213 1.317) 4.229 2.901 ( -6.491 0.808 -3.330) 7.340 3.056 ( -0.934 0.506 0.511) 1.179 3.167 ( -4.780 -0.211 -6.731) 8.259 3.298 ( -5.363 -0.116 1.431) 5.552 3.366 ( -8.177 -2.365 -2.124) 8.773 3.572 ( 2.029 0.068 1.894) 2.777 3.685 ( 1.369 0.979 -2.332) 2.876 3.790 ( 2.717 -0.465 4.222) 5.042 3.828 ( -1.848 0.125 -0.393) 1.893 3.950 ( -1.168 -1.035 -0.192) 1.572 3.985 ( 2.322 0.034 1.188) 2.608 4.226 ( -3.912 -2.794 9.272) 10.445 4.344 ( -1.627 -6.706 5.522) 8.838 4.962 ( 2.612 0.505 6.112) 6.666 5.314 ( 2.141 0.062 -8.486) 8.752 5.612 ( 3.728 0.150 2.913) 4.734 5.635 ( 3.332 0.065 1.541) 3.671 ======================= Grid point 197 (77/129) ======================= q-point: (-0.25 0.25 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 0.000 10.902 3.526) 11.458 0.537 ( 0.000 8.936 9.408) 12.976 0.603 ( 0.000 4.211 -2.338) 4.816 0.792 ( 0.000 3.287 19.334) 19.612 0.963 ( 0.000 2.259 -7.986) 8.300 1.143 ( -0.000 -2.995 -0.112) 2.997 1.271 ( -0.000 -1.379 4.110) 4.335 1.290 ( -0.000 -3.473 6.418) 7.297 1.409 ( -0.000 -4.297 -1.890) 4.694 1.513 ( -0.000 -7.672 1.241) 7.772 1.615 ( -0.000 -1.626 1.313) 2.090 1.672 ( -0.000 -1.403 -3.449) 3.724 1.702 ( 0.000 1.142 -1.777) 2.113 1.717 ( 0.000 1.296 -5.189) 5.348 1.841 ( -0.000 -0.473 5.388) 5.408 2.022 ( 0.000 3.951 -0.744) 4.020 2.101 ( 0.000 1.375 1.491) 2.028 2.710 ( 0.000 0.792 -17.060) 17.078 2.764 ( 0.000 0.162 0.979) 0.992 2.821 ( 0.000 0.220 -1.138) 1.159 3.036 ( 0.000 0.257 0.437) 0.507 3.040 ( 0.000 0.172 0.315) 0.359 3.243 ( 0.000 0.276 1.454) 1.480 3.316 ( -0.000 -0.758 -2.261) 2.385 3.593 ( 0.000 0.169 1.511) 1.521 3.694 ( 0.000 1.250 -2.148) 2.485 3.801 ( 0.000 0.092 0.627) 0.634 3.835 ( 0.000 0.077 -0.592) 0.597 3.930 ( -0.000 -2.722 6.877) 7.396 4.005 ( 0.000 0.094 1.980) 1.982 4.195 ( -0.000 -4.731 11.042) 12.013 4.366 ( -0.000 -5.866 4.118) 7.167 4.985 ( 0.000 0.694 6.067) 6.106 5.332 ( -0.000 -0.237 -8.351) 8.354 5.642 ( 0.000 1.120 2.116) 2.394 5.685 ( -0.000 -1.386 1.484) 2.031 ======================= Grid point 204 (78/129) ======================= q-point: (-0.67 0.33 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -7.884 -0.000 4.853) 9.258 0.981 ( -3.068 -0.000 2.185) 3.766 1.102 ( -0.816 -0.000 -1.355) 1.582 1.186 ( -7.570 -0.000 -1.821) 7.786 1.277 ( -1.655 -0.000 0.324) 1.686 1.366 ( 0.141 0.000 -2.689) 2.693 1.400 ( -4.388 -0.000 9.326) 10.307 1.562 ( 1.147 0.000 -0.726) 1.358 1.595 ( -4.573 -0.000 5.645) 7.264 1.657 ( -4.428 -0.000 0.199) 4.432 1.732 ( 1.380 0.000 -0.544) 1.483 1.819 ( 2.066 0.000 3.986) 4.490 1.867 ( 2.646 0.000 -2.945) 3.959 2.120 ( -8.891 -0.000 1.948) 9.101 2.172 ( -7.177 -0.000 0.175) 7.179 2.346 ( -2.666 -0.000 0.052) 2.666 2.379 ( -6.130 -0.000 -1.152) 6.238 2.528 ( 0.566 0.000 -16.389) 16.398 2.937 ( 2.254 0.000 1.780) 2.872 3.063 ( 2.440 0.000 -2.745) 3.673 3.118 ( -3.505 -0.000 2.248) 4.164 3.233 ( -4.447 -0.000 -2.369) 5.039 3.469 ( -0.732 -0.000 -0.937) 1.189 3.482 ( 1.244 0.000 -0.882) 1.525 3.528 ( 1.945 0.000 0.210) 1.956 3.570 ( 1.849 0.000 -1.615) 2.455 3.719 ( -1.988 -0.000 3.526) 4.048 3.872 ( -1.228 -0.000 -3.198) 3.426 3.945 ( -0.201 -0.000 1.454) 1.468 3.964 ( -0.282 -0.000 0.436) 0.520 4.361 ( 1.690 0.000 6.997) 7.198 4.401 ( -3.465 -0.000 3.987) 5.283 4.772 ( 1.749 0.000 -0.920) 1.977 4.893 ( 9.447 0.000 -4.107) 10.301 5.444 ( 2.242 0.000 2.002) 3.006 5.535 ( -0.971 -0.000 -1.205) 1.548 ======================= Grid point 206 (79/129) ======================= q-point: (-0.58 0.33 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -8.124 -0.741 3.879) 9.033 0.942 ( -1.366 0.819 2.775) 3.200 1.003 ( -9.547 -0.259 -2.210) 9.803 1.024 ( -7.142 -0.925 0.821) 7.248 1.200 ( -6.928 -1.669 5.761) 9.164 1.332 ( -4.452 -0.798 -2.220) 5.038 1.369 ( -1.539 0.233 3.745) 4.055 1.532 ( 0.055 2.247 0.663) 2.343 1.549 ( -0.757 -0.973 0.962) 1.563 1.654 ( 2.382 0.768 0.197) 2.511 1.726 ( -3.498 0.650 0.912) 3.673 1.851 ( -5.238 -1.099 -2.132) 5.761 1.853 ( 1.579 0.142 7.548) 7.713 1.901 ( -12.825 -0.342 2.491) 13.069 2.006 ( -8.338 1.125 -1.442) 8.536 2.223 ( -9.434 0.716 0.085) 9.461 2.258 ( -5.927 -0.220 -1.751) 6.184 2.558 ( 2.263 0.126 -14.795) 14.967 2.953 ( -1.062 -0.032 2.094) 2.349 3.066 ( -0.972 0.083 1.596) 1.870 3.108 ( 0.246 0.174 -3.668) 3.681 3.175 ( -1.357 0.112 -2.663) 2.991 3.477 ( 1.591 0.015 0.247) 1.610 3.519 ( 2.067 -0.011 -1.282) 2.433 3.567 ( -4.217 -0.083 -0.212) 4.223 3.585 ( 3.795 -0.069 0.030) 3.796 3.722 ( 4.193 0.013 1.777) 4.554 3.821 ( -4.414 -0.334 -2.942) 5.315 3.934 ( -0.792 -0.043 0.795) 1.123 3.951 ( -0.487 -0.020 -0.441) 0.657 4.333 ( -3.559 -0.166 5.776) 6.787 4.376 ( -0.865 -0.829 5.612) 5.739 4.822 ( 3.412 -0.198 3.045) 4.578 5.079 ( 9.664 0.188 -5.735) 11.239 5.498 ( 3.318 0.403 0.981) 3.483 5.521 ( -0.217 -0.611 0.564) 0.859 ======================= Grid point 207 (80/129) ======================= q-point: (-0.50 0.33 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -3.326 2.562 1.402) 4.426 0.796 ( -10.270 0.738 -1.146) 10.360 0.889 ( -5.581 1.136 6.257) 8.461 0.943 ( -0.863 0.494 4.320) 4.433 1.072 ( -7.643 -6.180 5.514) 11.270 1.241 ( -4.813 -2.298 -1.970) 5.686 1.317 ( -3.057 0.576 6.386) 7.104 1.490 ( -6.259 1.334 -2.433) 6.847 1.525 ( -6.781 4.468 -1.287) 8.221 1.605 ( -2.243 -0.709 2.310) 3.297 1.664 ( -7.721 -1.456 1.132) 7.938 1.700 ( 1.246 0.362 -0.083) 1.301 1.722 ( -9.091 -3.219 0.173) 9.645 1.869 ( -3.259 0.535 2.146) 3.939 1.897 ( -0.984 0.736 3.315) 3.536 2.052 ( -5.938 0.981 2.959) 6.706 2.147 ( -4.943 0.895 -2.527) 5.624 2.611 ( 3.517 0.595 -14.370) 14.806 2.897 ( -4.361 0.110 2.018) 4.807 3.035 ( -4.036 0.654 -2.774) 4.940 3.080 ( -1.312 0.636 -0.630) 1.588 3.177 ( 1.087 0.043 -3.928) 4.076 3.434 ( -8.128 -0.151 1.038) 8.196 3.504 ( -5.736 -0.696 -3.219) 6.615 3.524 ( 2.669 -0.056 1.844) 3.244 3.654 ( 2.954 0.211 -1.855) 3.495 3.751 ( -0.858 -0.625 2.997) 3.180 3.827 ( 3.851 -0.054 -0.435) 3.876 3.931 ( 1.435 -0.075 0.186) 1.449 3.950 ( 0.112 -0.106 -1.957) 1.963 4.273 ( -2.623 -0.089 7.444) 7.893 4.328 ( -4.835 -3.421 6.594) 8.863 4.898 ( 4.147 -0.007 5.618) 6.983 5.239 ( 6.472 0.319 -7.944) 10.251 5.536 ( 2.523 -0.214 3.227) 4.102 5.572 ( 3.833 0.034 0.489) 3.864 ======================= Grid point 208 (81/129) ======================= q-point: (-0.42 0.33 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 2.060 8.809 0.023) 9.047 0.628 ( -5.793 1.903 2.828) 6.722 0.779 ( -5.069 3.021 8.025) 9.961 0.875 ( -6.210 -1.901 8.360) 10.586 1.013 ( -0.960 0.031 3.523) 3.651 1.179 ( -4.302 -3.795 -1.838) 6.024 1.247 ( -2.963 1.299 2.822) 4.293 1.327 ( -6.555 -1.395 4.828) 8.260 1.368 ( -4.191 0.421 -1.288) 4.404 1.529 ( -9.407 -4.387 1.046) 10.432 1.606 ( -0.853 -1.147 0.438) 1.495 1.632 ( 0.260 -1.856 -1.462) 2.377 1.725 ( 0.659 0.308 -3.564) 3.637 1.776 ( -4.838 1.170 -3.177) 5.905 1.855 ( -2.245 -0.093 6.963) 7.316 2.047 ( 4.076 1.740 5.570) 7.118 2.077 ( -1.435 1.689 -1.010) 2.436 2.680 ( 3.640 0.957 -14.713) 15.187 2.809 ( -4.066 0.154 1.367) 4.292 2.909 ( -7.063 0.613 -3.371) 7.850 3.060 ( -1.165 0.390 0.658) 1.394 3.165 ( -5.390 -0.250 -5.851) 7.959 3.297 ( -5.251 -0.153 1.350) 5.424 3.345 ( -7.104 -1.643 -1.308) 7.407 3.572 ( 2.092 0.042 2.061) 2.938 3.694 ( 1.562 0.738 -2.525) 3.060 3.786 ( 2.893 -0.383 5.059) 5.840 3.829 ( -1.913 0.049 -0.322) 1.940 3.940 ( -1.984 -0.925 0.225) 2.201 3.986 ( 2.398 0.023 1.514) 2.836 4.203 ( -5.000 -1.747 9.770) 11.113 4.292 ( 0.022 -3.812 5.617) 6.789 4.967 ( 2.767 0.367 6.228) 6.825 5.313 ( 1.797 -0.077 -8.094) 8.292 5.612 ( 4.346 0.013 2.961) 5.259 5.638 ( 2.897 0.319 0.922) 3.057 ======================= Grid point 209 (82/129) ======================= q-point: (-0.33 0.33 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.000 5.491 5.720) 7.929 0.620 ( 0.000 7.605 7.812) 10.902 0.652 ( 0.000 6.178 -3.095) 6.910 0.819 ( 0.000 1.798 17.549) 17.641 0.986 ( 0.000 2.200 -6.648) 7.003 1.125 ( -0.000 -0.582 1.137) 1.277 1.257 ( -0.000 -2.827 6.640) 7.217 1.257 ( -0.000 -1.282 2.876) 3.149 1.366 ( -0.000 -4.260 -1.607) 4.553 1.442 ( -0.000 -6.598 2.067) 6.914 1.600 ( -0.000 -1.350 1.740) 2.203 1.657 ( -0.000 -1.606 -4.334) 4.622 1.712 ( 0.000 0.818 -2.209) 2.356 1.729 ( 0.000 0.886 -5.419) 5.491 1.837 ( -0.000 -0.312 6.717) 6.725 2.054 ( 0.000 2.367 -1.694) 2.911 2.111 ( 0.000 0.804 4.337) 4.411 2.718 ( 0.000 0.778 -16.068) 16.087 2.765 ( 0.000 0.141 0.970) 0.981 2.823 ( 0.000 0.187 -1.167) 1.182 3.038 ( 0.000 0.224 0.405) 0.463 3.042 ( 0.000 0.147 0.314) 0.347 3.245 ( 0.000 0.172 1.502) 1.512 3.309 ( -0.000 -0.514 -2.310) 2.366 3.595 ( 0.000 0.119 1.765) 1.769 3.705 ( 0.000 1.064 -2.398) 2.623 3.802 ( 0.000 0.080 0.638) 0.643 3.836 ( 0.000 0.066 -0.576) 0.580 3.902 ( -0.000 -2.641 9.365) 9.730 4.006 ( 0.000 0.090 2.495) 2.497 4.160 ( -0.000 -2.330 10.024) 10.291 4.319 ( -0.000 -3.758 3.678) 5.258 4.992 ( 0.000 0.582 6.179) 6.206 5.329 ( -0.000 -0.375 -7.663) 7.672 5.652 ( 0.000 0.980 1.604) 1.880 5.675 ( -0.000 -0.647 1.461) 1.597 ======================= Grid point 218 (83/129) ======================= q-point: (-0.58 0.42 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -1.905 -0.000 0.470) 1.962 0.799 ( -10.369 -0.000 -1.928) 10.547 0.897 ( -5.827 -0.000 8.402) 10.225 0.947 ( 1.595 0.000 3.408) 3.763 1.037 ( -9.357 -0.000 6.251) 11.253 1.229 ( -5.143 -0.000 -2.359) 5.658 1.320 ( -2.835 -0.000 6.615) 7.197 1.494 ( -7.078 -0.000 -3.196) 7.766 1.555 ( -5.085 -0.000 -0.457) 5.105 1.603 ( -3.179 -0.000 1.831) 3.669 1.651 ( -8.538 -0.000 0.956) 8.592 1.701 ( 1.056 0.000 -2.007) 2.268 1.706 ( -9.128 -0.000 2.510) 9.467 1.872 ( -2.541 -0.000 3.706) 4.493 1.901 ( -1.810 -0.000 1.837) 2.579 2.057 ( -5.878 -0.000 3.097) 6.644 2.151 ( -4.736 -0.000 -2.638) 5.421 2.614 ( 3.591 0.000 -14.241) 14.687 2.898 ( -4.339 -0.000 2.044) 4.796 3.038 ( -3.820 -0.000 -2.632) 4.639 3.084 ( -1.474 -0.000 -0.882) 1.718 3.177 ( 1.066 0.000 -3.805) 3.952 3.433 ( -8.132 -0.000 0.998) 8.193 3.501 ( -6.164 -0.000 -3.144) 6.919 3.524 ( 2.696 0.000 1.842) 3.266 3.656 ( 3.052 0.000 -1.932) 3.612 3.748 ( -0.747 -0.000 3.251) 3.336 3.827 ( 3.944 0.000 -0.383) 3.963 3.930 ( 1.431 0.000 0.248) 1.452 3.950 ( 0.036 0.000 -1.922) 1.922 4.274 ( -2.159 -0.000 7.285) 7.598 4.310 ( -5.617 -0.000 7.101) 9.054 4.898 ( 4.244 0.000 5.702) 7.108 5.241 ( 6.400 0.000 -7.959) 10.213 5.535 ( 2.479 0.000 3.235) 4.076 5.572 ( 3.994 0.000 0.399) 4.014 ======================= Grid point 220 (84/129) ======================= q-point: (-0.50 0.42 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -5.654 0.404 2.453) 6.176 0.680 ( 4.297 4.512 -3.644) 7.218 0.802 ( -4.633 1.332 10.109) 11.200 0.855 ( -7.866 -1.616 12.356) 14.736 1.007 ( 3.105 -0.639 2.331) 3.935 1.150 ( -3.637 -1.631 -2.776) 4.857 1.265 ( -3.218 1.988 3.917) 5.445 1.303 ( -7.883 -2.544 2.530) 8.661 1.395 ( -5.857 3.171 0.355) 6.670 1.486 ( -10.867 -3.614 1.090) 11.504 1.600 ( -1.224 -0.060 1.594) 2.011 1.618 ( 0.996 -0.958 -2.554) 2.904 1.728 ( 0.795 0.123 -3.680) 3.766 1.783 ( -5.161 0.389 -3.325) 6.152 1.855 ( -2.199 -0.000 7.440) 7.759 2.060 ( 4.044 0.640 7.236) 8.314 2.088 ( -1.692 0.483 -2.349) 2.935 2.686 ( 3.577 0.363 -14.372) 14.815 2.810 ( -4.094 0.056 1.400) 4.327 2.913 ( -7.458 0.230 -3.418) 8.207 3.063 ( -1.317 0.148 0.741) 1.518 3.163 ( -5.745 -0.120 -5.260) 7.791 3.295 ( -5.261 -0.074 1.338) 5.429 3.334 ( -6.246 -0.571 -0.951) 6.344 3.573 ( 2.124 0.014 2.162) 3.031 3.699 ( 1.666 0.275 -2.651) 3.143 3.783 ( 2.973 -0.151 5.573) 6.318 3.829 ( -1.951 0.008 -0.275) 1.971 3.933 ( -2.428 -0.362 0.397) 2.487 3.986 ( 2.446 0.006 1.703) 2.980 4.192 ( -5.305 -0.534 9.794) 11.151 4.267 ( 0.863 -1.266 5.592) 5.798 4.969 ( 2.847 0.133 6.288) 6.904 5.313 ( 1.610 -0.048 -7.849) 8.013 5.612 ( 4.552 0.000 2.957) 5.428 5.640 ( 2.825 0.150 0.656) 2.904 ======================= Grid point 221 (85/129) ======================= q-point: (-0.42 0.42 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.000 1.266 5.757) 5.894 0.682 ( 0.000 4.494 6.916) 8.248 0.721 ( 0.000 6.860 -0.735) 6.899 0.821 ( -0.000 -1.521 15.293) 15.369 1.004 ( 0.000 1.427 -5.498) 5.681 1.126 ( 0.000 0.351 0.955) 1.018 1.242 ( 0.000 0.009 7.781) 7.781 1.247 ( -0.000 -0.689 1.640) 1.778 1.329 ( -0.000 -2.942 -1.295) 3.215 1.383 ( -0.000 -4.962 2.509) 5.560 1.589 ( -0.000 -0.753 2.050) 2.184 1.643 ( -0.000 -1.138 -4.963) 5.092 1.718 ( 0.000 0.418 -2.491) 2.526 1.734 ( 0.000 0.268 -5.203) 5.210 1.836 ( 0.000 0.002 7.437) 7.437 2.070 ( 0.000 1.044 -2.237) 2.469 2.117 ( 0.000 0.373 6.578) 6.588 2.725 ( 0.000 0.497 -15.369) 15.378 2.766 ( 0.000 0.081 0.964) 0.968 2.824 ( 0.000 0.106 -1.187) 1.191 3.040 ( 0.000 0.130 0.382) 0.403 3.043 ( 0.000 0.084 0.313) 0.324 3.246 ( 0.000 0.100 1.511) 1.515 3.305 ( -0.000 -0.265 -2.327) 2.342 3.595 ( 0.000 0.058 1.964) 1.965 3.714 ( 0.000 0.605 -2.601) 2.670 3.803 ( 0.000 0.046 0.645) 0.647 3.836 ( 0.000 0.038 -0.565) 0.566 3.881 ( -0.000 -1.510 10.553) 10.661 4.007 ( 0.000 0.049 2.873) 2.874 4.145 ( -0.000 -0.793 8.920) 8.955 4.290 ( -0.000 -1.989 3.602) 4.115 4.996 ( 0.000 0.328 6.251) 6.260 5.326 ( -0.000 -0.258 -7.165) 7.169 5.660 ( 0.000 0.611 1.527) 1.645 5.671 ( -0.000 -0.276 1.221) 1.252 ======================= Grid point 233 (86/129) ======================= q-point: ( 0.50 -0.50 0.25) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 0.000 5.794) 5.794 0.705 ( 0.000 0.000 6.635) 6.635 0.770 ( 0.000 0.000 -7.131) 7.131 0.799 ( 0.000 0.000 21.896) 21.896 1.012 ( 0.000 0.000 -5.019) 5.019 1.128 ( 0.000 0.000 0.478) 0.478 1.244 ( 0.000 0.000 1.037) 1.037 1.247 ( 0.000 0.000 8.726) 8.726 1.313 ( -0.000 -0.000 -1.103) 1.103 1.355 ( 0.000 0.000 2.387) 2.387 1.585 ( 0.000 0.000 2.162) 2.162 1.637 ( 0.000 0.000 -5.193) 5.193 1.720 ( 0.000 0.000 -2.589) 2.589 1.735 ( 0.000 0.000 -5.029) 5.029 1.836 ( 0.000 0.000 7.652) 7.652 2.076 ( 0.000 0.000 -2.320) 2.320 2.119 ( 0.000 0.000 7.302) 7.302 2.727 ( 0.000 0.000 -15.121) 15.121 2.767 ( 0.000 0.000 0.962) 0.962 2.825 ( 0.000 0.000 -1.194) 1.194 3.041 ( 0.000 0.000 0.373) 0.373 3.043 ( 0.000 0.000 0.313) 0.313 3.247 ( 0.000 0.000 1.508) 1.508 3.304 ( 0.000 0.000 -2.326) 2.326 3.596 ( 0.000 0.000 2.039) 2.039 3.717 ( 0.000 0.000 -2.681) 2.681 3.803 ( 0.000 0.000 0.648) 0.648 3.836 ( 0.000 0.000 -0.560) 0.560 3.873 ( 0.000 0.000 10.854) 10.854 4.007 ( 0.000 0.000 3.011) 3.011 4.141 ( 0.000 0.000 8.550) 8.550 4.280 ( 0.000 0.000 3.613) 3.613 4.998 ( 0.000 0.000 6.276) 6.276 5.324 ( 0.000 0.000 -6.986) 6.986 5.664 ( 0.000 0.000 1.785) 1.785 5.669 ( 0.000 0.000 0.866) 0.866 ======================= Grid point 302 (87/129) ======================= q-point: ( 0.00 0.00 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 0.000 0.000 -9.780) 9.780 0.363 ( 0.000 0.000 9.780) 9.780 0.667 ( 0.000 0.000 -13.338) 13.338 0.667 ( 0.000 0.000 13.338) 13.338 1.089 ( 0.000 0.000 -10.473) 10.473 1.089 ( 0.000 0.000 10.473) 10.473 1.408 ( 0.000 0.000 -4.551) 4.551 1.408 ( 0.000 0.000 4.551) 4.551 1.544 ( 0.000 0.000 -10.324) 10.324 1.544 ( 0.000 0.000 10.324) 10.324 1.660 ( 0.000 0.000 -0.692) 0.692 1.660 ( 0.000 0.000 0.692) 0.692 1.721 ( 0.000 0.000 -1.418) 1.418 1.721 ( 0.000 0.000 1.418) 1.418 1.829 ( 0.000 0.000 -3.311) 3.311 1.829 ( 0.000 0.000 3.311) 3.311 2.270 ( 0.000 0.000 -16.325) 16.325 2.270 ( 0.000 0.000 16.325) 16.325 2.788 ( 0.000 0.000 -1.412) 1.412 2.788 ( 0.000 0.000 1.412) 1.412 3.040 ( 0.000 0.000 -0.163) 0.163 3.040 ( 0.000 0.000 0.163) 0.163 3.277 ( 0.000 0.000 -2.524) 2.524 3.277 ( 0.000 0.000 2.524) 2.524 3.626 ( 0.000 0.000 -2.065) 2.065 3.626 ( 0.000 0.000 2.065) 2.065 3.816 ( 0.000 0.000 -0.870) 0.870 3.816 ( 0.000 0.000 0.870) 0.870 4.000 ( 0.000 0.000 -1.134) 1.134 4.000 ( 0.000 0.000 1.134) 1.134 4.452 ( 0.000 0.000 -7.573) 7.573 4.452 ( 0.000 0.000 7.573) 7.573 5.133 ( 0.000 0.000 -8.628) 8.628 5.133 ( 0.000 0.000 8.628) 8.628 5.696 ( 0.000 0.000 -2.851) 2.851 5.696 ( 0.000 0.000 2.851) 2.851 ======================= Grid point 304 (88/129) ======================= q-point: ( 0.08 0.00 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 10.632 -0.929 -6.154) 12.319 0.479 ( 10.632 -0.929 6.154) 12.319 0.735 ( 5.927 -1.388 -9.531) 11.309 0.735 ( 5.927 -1.388 9.531) 11.309 1.180 ( 8.437 -0.115 -7.596) 11.353 1.180 ( 8.437 -0.115 7.596) 11.353 1.407 ( 0.693 1.353 -2.367) 2.814 1.407 ( 0.693 1.353 2.367) 2.814 1.541 ( -0.183 0.046 -8.521) 8.523 1.541 ( -0.183 0.046 8.521) 8.523 1.683 ( 1.180 -0.069 -1.086) 1.605 1.683 ( 1.180 -0.069 1.086) 1.605 1.753 ( 3.755 3.497 -2.675) 5.787 1.753 ( 3.755 3.497 2.675) 5.787 1.856 ( 3.306 -3.554 -2.078) 5.280 1.856 ( 3.306 -3.554 2.078) 5.280 2.222 ( -3.778 -0.671 -17.278) 17.699 2.222 ( -3.778 -0.671 17.278) 17.699 2.834 ( 4.404 -0.123 -1.712) 4.726 2.834 ( 4.404 -0.123 1.712) 4.726 3.062 ( 1.271 -0.184 -2.041) 2.411 3.062 ( 1.271 -0.184 2.041) 2.411 3.349 ( 6.813 0.239 -2.707) 7.335 3.349 ( 6.813 0.239 2.707) 7.335 3.614 ( -1.263 -0.128 -2.345) 2.667 3.614 ( -1.263 -0.128 2.345) 2.667 3.819 ( 0.192 -0.072 -0.081) 0.220 3.819 ( 0.192 -0.072 0.081) 0.220 3.973 ( -2.768 -0.100 -1.076) 2.971 3.973 ( -2.768 -0.100 1.076) 2.971 4.461 ( 1.015 1.049 -7.835) 7.969 4.461 ( 1.015 1.049 7.835) 7.969 5.111 ( -2.449 -0.205 -8.558) 8.904 5.111 ( -2.449 -0.205 8.558) 8.904 5.661 ( -3.111 0.217 -1.567) 3.490 5.661 ( -3.111 0.217 1.567) 3.490 ======================= Grid point 306 (89/129) ======================= q-point: ( 0.17 0.00 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 13.588 0.912 -2.870) 13.918 0.722 ( 13.588 0.912 2.870) 13.918 0.877 ( 7.593 -1.664 -2.859) 8.283 0.877 ( 7.593 -1.664 2.859) 8.283 1.298 ( 1.562 -1.411 -1.673) 2.689 1.298 ( 1.562 -1.411 1.673) 2.689 1.483 ( 6.774 6.381 -2.575) 9.656 1.483 ( 6.774 6.381 2.575) 9.656 1.555 ( 4.075 -0.591 -7.816) 8.835 1.555 ( 4.075 -0.591 7.816) 8.835 1.687 ( -0.241 -3.502 -1.574) 3.847 1.687 ( -0.241 -3.502 1.574) 3.847 1.804 ( 2.871 1.410 -4.866) 5.824 1.804 ( 2.871 1.410 4.866) 5.824 2.010 ( 9.967 -1.294 -1.255) 10.129 2.010 ( 9.967 -1.294 1.255) 10.129 2.168 ( -2.184 -1.071 -16.841) 17.015 2.168 ( -2.184 -1.071 16.841) 17.015 2.936 ( 5.404 -0.315 -2.459) 5.945 2.936 ( 5.404 -0.315 2.459) 5.945 3.077 ( 0.424 -0.423 -2.666) 2.733 3.077 ( 0.424 -0.423 2.666) 2.733 3.480 ( 5.251 0.313 -1.903) 5.595 3.480 ( 5.251 0.313 1.903) 5.595 3.587 ( -1.029 0.047 -3.118) 3.283 3.587 ( -1.029 0.047 3.118) 3.283 3.807 ( -2.146 -0.016 -0.789) 2.287 3.807 ( -2.146 -0.016 0.789) 2.287 3.926 ( -0.753 -0.133 -0.137) 0.777 3.926 ( -0.753 -0.133 0.137) 0.777 4.473 ( 0.846 1.348 -6.578) 6.768 4.473 ( 0.846 1.348 6.578) 6.768 5.039 ( -5.200 -0.320 -7.806) 9.385 5.039 ( -5.200 -0.320 7.806) 9.385 5.596 ( -3.158 0.392 -0.356) 3.202 5.596 ( -3.158 0.392 0.356) 3.202 ======================= Grid point 308 (90/129) ======================= q-point: ( 0.25 0.00 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 8.480 0.121 -1.156) 8.559 0.945 ( 8.480 0.121 1.156) 8.559 1.030 ( 8.988 3.045 -4.328) 10.430 1.030 ( 8.988 3.045 4.328) 10.430 1.337 ( 2.729 -3.784 -1.249) 4.829 1.337 ( 2.729 -3.784 1.249) 4.829 1.487 ( -0.235 5.690 -1.647) 5.928 1.487 ( -0.235 5.690 1.647) 5.928 1.596 ( -1.293 -0.424 -1.526) 2.045 1.596 ( -1.293 -0.424 1.526) 2.045 1.813 ( 2.822 -1.854 -4.716) 5.800 1.813 ( 2.822 -1.854 4.716) 5.800 1.887 ( 11.757 -1.027 -3.331) 12.263 1.887 ( 11.757 -1.027 3.331) 12.263 2.132 ( -0.602 -0.347 -18.216) 18.230 2.132 ( -0.602 -0.347 18.216) 18.230 2.204 ( 7.291 -0.750 -3.150) 7.978 2.204 ( 7.291 -0.750 3.150) 7.978 3.016 ( 2.188 -0.026 -3.212) 3.887 3.016 ( 2.188 -0.026 3.212) 3.887 3.100 ( 2.250 -0.401 -2.436) 3.340 3.100 ( 2.250 -0.401 2.436) 3.340 3.497 ( -1.833 0.138 -0.971) 2.079 3.497 ( -1.833 0.138 0.971) 2.079 3.586 ( -0.791 0.219 -0.465) 0.944 3.586 ( -0.791 0.219 0.465) 0.944 3.774 ( 0.302 0.197 -3.130) 3.151 3.774 ( 0.302 0.197 3.130) 3.151 3.946 ( 1.757 0.014 -0.296) 1.782 3.946 ( 1.757 0.014 0.296) 1.782 4.480 ( 0.560 1.141 -3.604) 3.822 4.480 ( 0.560 1.141 3.604) 3.822 4.920 ( -7.056 -0.309 -5.744) 9.104 4.920 ( -7.056 -0.309 5.744) 9.104 5.545 ( -1.864 0.597 -1.937) 2.753 5.545 ( -1.864 0.597 1.937) 2.753 ======================= Grid point 310 (91/129) ======================= q-point: ( 0.33 0.00 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 0.371 0.160 -1.764) 1.809 1.018 ( 0.371 0.160 1.764) 1.809 1.190 ( 8.446 4.230 -4.434) 10.435 1.190 ( 8.446 4.230 4.434) 10.435 1.396 ( -0.594 -0.231 -0.674) 0.928 1.396 ( -0.594 -0.231 0.674) 0.928 1.505 ( 6.582 0.415 -0.870) 6.653 1.505 ( 6.582 0.415 0.870) 6.653 1.579 ( -0.655 -0.851 -1.769) 2.069 1.579 ( -0.655 -0.851 1.769) 2.069 1.807 ( -2.093 -0.666 -3.872) 4.452 1.807 ( -2.093 -0.666 3.872) 4.452 2.101 ( 0.927 0.140 -16.335) 16.362 2.101 ( 0.927 0.140 16.335) 16.362 2.155 ( 9.364 -0.296 -5.008) 10.623 2.155 ( 9.364 -0.296 5.008) 10.623 2.304 ( 2.440 -1.591 -1.666) 3.356 2.304 ( 2.440 -1.591 1.666) 3.356 3.009 ( -2.374 0.457 -3.114) 3.942 3.009 ( -2.374 0.457 3.114) 3.942 3.175 ( 5.385 0.051 -2.622) 5.990 3.175 ( 5.385 0.051 2.622) 5.990 3.469 ( -0.462 0.172 -0.592) 0.771 3.469 ( -0.462 0.172 0.592) 0.771 3.551 ( -1.845 0.265 -0.818) 2.035 3.551 ( -1.845 0.265 0.818) 2.035 3.802 ( 1.731 0.099 -3.845) 4.218 3.802 ( 1.731 0.099 3.845) 4.218 3.969 ( 0.453 0.153 -0.361) 0.599 3.969 ( 0.453 0.153 0.361) 0.599 4.487 ( 0.732 0.816 -0.263) 1.127 4.487 ( 0.732 0.816 0.263) 1.127 4.786 ( -6.801 -0.241 -2.594) 7.283 4.786 ( -6.801 -0.241 2.594) 7.283 5.516 ( -0.907 0.657 -3.132) 3.326 5.516 ( -0.907 0.657 3.132) 3.326 ======================= Grid point 312 (92/129) ======================= q-point: ( 0.42 0.00 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -2.072 -0.269 -1.324) 2.474 0.995 ( -2.072 -0.269 1.324) 2.474 1.264 ( 1.067 2.412 -4.732) 5.417 1.264 ( 1.067 2.412 4.732) 5.417 1.418 ( 4.531 2.111 -0.275) 5.006 1.418 ( 4.531 2.111 0.275) 5.006 1.565 ( -0.880 -0.944 -3.392) 3.630 1.565 ( -0.880 -0.944 3.392) 3.630 1.630 ( 2.620 -0.892 -0.680) 2.849 1.630 ( 2.620 -0.892 0.680) 2.849 1.785 ( 1.324 -0.687 -1.281) 1.966 1.785 ( 1.324 -0.687 1.281) 1.966 2.076 ( -1.759 0.646 -21.425) 21.507 2.076 ( -1.759 0.646 21.425) 21.507 2.269 ( 0.848 0.387 -0.680) 1.154 2.269 ( 0.848 0.387 0.680) 1.154 2.364 ( 3.636 -1.716 -1.654) 4.347 2.364 ( 3.636 -1.716 1.654) 4.347 2.954 ( -2.332 0.276 -2.948) 3.769 2.954 ( -2.332 0.276 2.948) 3.769 3.287 ( 5.706 0.553 -3.031) 6.484 3.287 ( 5.706 0.553 3.031) 6.484 3.470 ( 0.057 0.065 -0.775) 0.780 3.470 ( 0.057 0.065 0.775) 0.780 3.524 ( -0.857 0.067 -0.874) 1.226 3.524 ( -0.857 0.067 0.874) 1.226 3.826 ( 0.834 0.029 -3.398) 3.499 3.826 ( 0.834 0.029 3.398) 3.499 3.962 ( -0.849 0.120 -0.073) 0.860 3.962 ( -0.849 0.120 0.073) 0.860 4.501 ( 1.059 0.498 -4.144) 4.306 4.501 ( 1.059 0.498 4.144) 4.306 4.674 ( -4.676 -0.189 -1.899) 5.051 4.674 ( -4.676 -0.189 1.899) 5.051 5.501 ( -0.390 0.441 -3.821) 3.866 5.501 ( -0.390 0.441 3.821) 3.866 ======================= Grid point 314 (93/129) ======================= q-point: (-0.50 0.00 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 -0.000 -1.878) 1.878 0.971 ( 0.000 -0.000 1.878) 1.878 1.262 ( 0.000 -0.000 -5.223) 5.223 1.262 ( 0.000 -0.000 5.223) 5.223 1.479 ( 0.000 -0.000 -0.050) 0.050 1.479 ( 0.000 -0.000 0.050) 0.050 1.551 ( 0.000 -0.000 -0.047) 0.047 1.551 ( 0.000 -0.000 0.047) 0.047 1.631 ( 0.000 -0.000 -2.183) 2.183 1.631 ( 0.000 -0.000 2.183) 2.183 1.831 ( 0.000 -0.000 -1.807) 1.807 1.831 ( 0.000 -0.000 1.807) 1.807 2.048 ( 0.000 -0.000 -21.685) 21.685 2.048 ( 0.000 -0.000 21.685) 21.685 2.265 ( 0.000 -0.000 -0.750) 0.750 2.265 ( 0.000 -0.000 0.750) 0.750 2.406 ( 0.000 -0.000 -1.725) 1.725 2.406 ( 0.000 -0.000 1.725) 1.725 2.931 ( 0.000 -0.000 -3.134) 3.134 2.931 ( 0.000 -0.000 3.134) 3.134 3.351 ( 0.000 -0.000 -3.576) 3.576 3.351 ( 0.000 -0.000 3.576) 3.576 3.465 ( 0.000 -0.000 -1.509) 1.509 3.465 ( 0.000 -0.000 1.509) 1.509 3.517 ( 0.000 -0.000 -0.878) 0.878 3.517 ( 0.000 -0.000 0.878) 0.878 3.834 ( 0.000 -0.000 -3.440) 3.440 3.834 ( 0.000 -0.000 3.440) 3.440 3.950 ( 0.000 -0.000 -0.298) 0.298 3.950 ( 0.000 -0.000 0.298) 0.298 4.514 ( 0.000 -0.000 -8.113) 8.113 4.514 ( 0.000 -0.000 8.113) 8.113 4.625 ( 0.000 -0.000 -5.947) 5.947 4.625 ( 0.000 -0.000 5.947) 5.947 5.496 ( 0.000 -0.000 -4.039) 4.039 5.496 ( 0.000 -0.000 4.039) 4.039 ======================= Grid point 330 (94/129) ======================= q-point: ( 0.08 0.08 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 13.931 0.000 -2.028) 14.077 0.727 ( 13.931 0.000 2.028) 14.077 0.868 ( 8.165 0.000 -2.997) 8.698 0.868 ( 8.165 0.000 2.997) 8.698 1.291 ( 1.375 0.000 -1.281) 1.879 1.291 ( 1.375 0.000 1.281) 1.879 1.525 ( 8.115 0.000 -2.634) 8.531 1.525 ( 8.115 0.000 2.634) 8.531 1.546 ( 4.615 0.000 -8.868) 9.997 1.546 ( 4.615 0.000 8.868) 9.997 1.665 ( -2.568 -0.000 -1.556) 3.002 1.665 ( -2.568 -0.000 1.556) 3.002 1.811 ( 2.275 0.000 -5.015) 5.507 1.811 ( 2.275 0.000 5.015) 5.507 2.003 ( 10.662 0.000 -0.877) 10.698 2.003 ( 10.662 0.000 0.877) 10.698 2.162 ( -2.040 -0.000 -16.821) 16.945 2.162 ( -2.040 -0.000 16.821) 16.945 2.934 ( 5.435 0.000 -2.402) 5.942 2.934 ( 5.435 0.000 2.402) 5.942 3.075 ( 0.442 0.000 -2.686) 2.722 3.075 ( 0.442 0.000 2.686) 2.722 3.482 ( 5.125 0.000 -1.928) 5.475 3.482 ( 5.125 0.000 1.928) 5.475 3.587 ( -0.928 -0.000 -3.085) 3.222 3.587 ( -0.928 -0.000 3.085) 3.222 3.807 ( -2.074 -0.000 -0.665) 2.178 3.807 ( -2.074 -0.000 0.665) 2.178 3.926 ( -0.739 -0.000 -0.101) 0.746 3.926 ( -0.739 -0.000 0.101) 0.746 4.480 ( 0.675 0.000 -6.954) 6.987 4.480 ( 0.675 0.000 6.954) 6.987 5.037 ( -5.176 -0.000 -7.739) 9.310 5.037 ( -5.176 -0.000 7.739) 9.310 5.598 ( -3.148 -0.000 -0.333) 3.166 5.598 ( -3.148 -0.000 0.333) 3.166 ======================= Grid point 332 (95/129) ======================= q-point: ( 0.17 0.08 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 7.564 -0.076 -1.781) 7.771 0.945 ( 7.564 -0.076 1.781) 7.771 1.055 ( 11.490 1.556 -3.979) 12.258 1.055 ( 11.490 1.556 3.979) 12.258 1.307 ( 1.472 -1.765 -0.923) 2.477 1.307 ( 1.472 -1.765 0.923) 2.477 1.533 ( -0.195 2.944 -1.575) 3.345 1.533 ( -0.195 2.944 1.575) 3.345 1.591 ( -2.877 -0.494 -0.650) 2.990 1.591 ( -2.877 -0.494 0.650) 2.990 1.794 ( 5.749 -1.393 -6.072) 8.477 1.794 ( 5.749 -1.393 6.072) 8.477 1.882 ( 10.092 -0.135 -3.862) 10.806 1.882 ( 10.092 -0.135 3.862) 10.806 2.130 ( -0.419 -0.156 -18.330) 18.336 2.130 ( -0.419 -0.156 18.330) 18.336 2.199 ( 7.424 -0.239 -2.804) 7.940 2.199 ( 7.424 -0.239 2.804) 7.940 3.016 ( 2.386 -0.011 -3.169) 3.967 3.016 ( 2.386 -0.011 3.169) 3.967 3.097 ( 2.371 -0.148 -2.441) 3.406 3.097 ( 2.371 -0.148 2.441) 3.406 3.498 ( -1.807 0.053 -0.940) 2.038 3.498 ( -1.807 0.053 0.940) 2.038 3.587 ( -0.827 0.077 -0.405) 0.923 3.587 ( -0.827 0.077 0.405) 0.923 3.775 ( 0.291 0.072 -3.259) 3.273 3.775 ( 0.291 0.072 3.259) 3.273 3.946 ( 1.838 0.004 -0.307) 1.863 3.946 ( 1.838 0.004 0.307) 1.863 4.488 ( 0.336 0.417 -3.892) 3.929 4.488 ( 0.336 0.417 3.892) 3.929 4.918 ( -7.005 -0.115 -5.540) 8.932 4.918 ( -7.005 -0.115 5.540) 8.932 5.549 ( -1.860 0.223 -2.036) 2.767 5.549 ( -1.860 0.223 2.036) 2.767 ======================= Grid point 334 (96/129) ======================= q-point: ( 0.25 0.08 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.643 0.178 -1.176) 1.352 1.020 ( 0.643 0.178 1.176) 1.352 1.230 ( 7.231 3.561 -3.899) 8.954 1.230 ( 7.231 3.561 3.899) 8.954 1.377 ( 2.735 -2.774 -1.129) 4.055 1.377 ( 2.735 -2.774 1.129) 4.055 1.522 ( 2.996 2.275 -1.579) 4.080 1.522 ( 2.996 2.275 1.579) 4.080 1.571 ( 0.080 -0.689 -1.886) 2.010 1.571 ( 0.080 -0.689 1.886) 2.010 1.799 ( -2.161 -0.771 -3.511) 4.194 1.799 ( -2.161 -0.771 3.511) 4.194 2.102 ( 1.795 0.094 -15.152) 15.258 2.102 ( 1.795 0.094 15.152) 15.258 2.152 ( 9.656 -0.190 -6.871) 11.852 2.152 ( 9.656 -0.190 6.871) 11.852 2.291 ( 1.791 -0.925 -1.846) 2.733 2.291 ( 1.791 -0.925 1.846) 2.733 3.013 ( -2.315 0.254 -3.065) 3.850 3.013 ( -2.315 0.254 3.065) 3.850 3.176 ( 5.638 0.039 -2.568) 6.196 3.176 ( 5.638 0.039 2.568) 6.196 3.471 ( -0.492 0.094 -0.471) 0.687 3.471 ( -0.492 0.094 0.471) 0.687 3.553 ( -1.865 0.150 -0.765) 2.021 3.553 ( -1.865 0.150 0.765) 2.021 3.803 ( 1.679 0.059 -3.897) 4.244 3.803 ( 1.679 0.059 3.897) 4.244 3.970 ( 0.460 0.090 -0.363) 0.592 3.970 ( 0.460 0.090 0.363) 0.592 4.493 ( 0.545 0.466 -0.176) 0.739 4.493 ( 0.545 0.466 0.176) 0.739 4.784 ( -6.759 -0.139 -2.237) 7.121 4.784 ( -6.759 -0.139 2.237) 7.121 5.521 ( -0.978 0.382 -3.275) 3.439 5.521 ( -0.978 0.382 3.275) 3.439 ======================= Grid point 336 (97/129) ======================= q-point: ( 0.33 0.08 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -2.377 -0.091 -1.622) 2.879 0.994 ( -2.377 -0.091 1.622) 2.879 1.287 ( 0.587 2.055 -4.120) 4.641 1.287 ( 0.587 2.055 4.120) 4.641 1.433 ( 4.095 1.008 -0.895) 4.311 1.433 ( 4.095 1.008 0.895) 4.311 1.556 ( -0.552 -0.887 -3.588) 3.737 1.556 ( -0.552 -0.887 3.588) 3.737 1.627 ( 2.478 0.100 -0.802) 2.606 1.627 ( 2.478 0.100 0.802) 2.606 1.777 ( 1.554 -0.824 -0.934) 1.991 1.777 ( 1.554 -0.824 0.934) 1.991 2.082 ( -1.796 0.515 -21.132) 21.214 2.082 ( -1.796 0.515 21.132) 21.214 2.270 ( -0.201 -0.065 -0.798) 0.826 2.270 ( -0.201 -0.065 0.798) 0.826 2.350 ( 5.204 -1.018 -1.301) 5.460 2.350 ( 5.204 -1.018 1.301) 5.460 2.957 ( -2.525 0.210 -2.830) 3.799 2.957 ( -2.525 0.210 2.830) 3.799 3.291 ( 5.770 0.394 -3.047) 6.537 3.291 ( 5.770 0.394 3.047) 6.537 3.471 ( -0.042 0.042 -0.835) 0.837 3.471 ( -0.042 0.042 0.835) 0.837 3.524 ( -0.990 0.050 -0.845) 1.302 3.524 ( -0.990 0.050 0.845) 1.302 3.826 ( 0.817 0.021 -3.404) 3.501 3.826 ( 0.817 0.021 3.404) 3.501 3.963 ( -0.892 0.090 -0.057) 0.898 3.963 ( -0.892 0.090 0.057) 0.898 4.505 ( 0.876 0.356 -4.329) 4.431 4.505 ( 0.876 0.356 4.329) 4.431 4.673 ( -4.634 -0.130 -2.253) 5.154 4.673 ( -4.634 -0.130 2.253) 5.154 5.505 ( -0.568 0.323 -3.920) 3.974 5.505 ( -0.568 0.323 3.920) 3.974 ======================= Grid point 338 (98/129) ======================= q-point: ( 0.42 0.08 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.197 -0.417 -1.762) 1.822 0.968 ( 0.197 -0.417 1.762) 1.822 1.270 ( -1.015 1.385 -5.147) 5.426 1.270 ( -1.015 1.385 5.147) 5.426 1.473 ( -2.282 -1.158 -0.465) 2.601 1.473 ( -2.282 -1.158 0.465) 2.601 1.551 ( 1.076 0.150 -0.441) 1.173 1.551 ( 1.076 0.150 0.441) 1.173 1.630 ( 0.643 -0.083 -2.188) 2.282 1.630 ( 0.643 -0.083 2.188) 2.282 1.833 ( 0.620 0.257 -1.607) 1.742 1.833 ( 0.620 0.257 1.607) 1.742 2.048 ( -0.544 0.015 -21.837) 21.844 2.048 ( -0.544 0.015 21.837) 21.844 2.262 ( -0.028 -0.565 -0.735) 0.928 2.262 ( -0.028 -0.565 0.735) 0.928 2.409 ( 0.701 0.458 -1.730) 1.922 2.409 ( 0.701 0.458 1.730) 1.922 2.931 ( -0.078 -0.007 -3.141) 3.142 2.931 ( -0.078 -0.007 3.141) 3.142 3.351 ( -0.642 -0.075 -3.567) 3.625 3.351 ( -0.642 -0.075 3.567) 3.625 3.465 ( 0.160 0.069 -1.503) 1.513 3.465 ( 0.160 0.069 1.503) 1.513 3.516 ( 0.035 -0.014 -0.940) 0.941 3.516 ( 0.035 -0.014 0.940) 0.941 3.834 ( -0.017 0.001 -3.440) 3.440 3.834 ( -0.017 0.001 3.440) 3.440 3.950 ( -0.071 -0.002 -0.297) 0.305 3.950 ( -0.071 -0.002 0.297) 0.305 4.514 ( -0.324 -0.025 -8.094) 8.100 4.514 ( -0.324 -0.025 8.094) 8.100 4.625 ( 0.165 0.029 -5.927) 5.929 4.625 ( 0.165 0.029 5.927) 5.929 5.496 ( -0.242 -0.000 -4.039) 4.046 5.496 ( -0.242 -0.000 4.039) 4.046 ======================= Grid point 340 (99/129) ======================= q-point: (-0.50 0.08 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 2.132 0.363 -0.893) 2.339 0.999 ( 2.132 0.363 0.893) 2.339 1.243 ( -2.236 -1.722 -5.421) 6.111 1.243 ( -2.236 -1.722 5.421) 6.111 1.392 ( -5.112 -2.984 -0.985) 6.000 1.392 ( -5.112 -2.984 0.985) 6.000 1.572 ( 0.692 0.425 -2.951) 3.061 1.572 ( 0.692 0.425 2.951) 3.061 1.646 ( -1.265 2.209 -1.048) 2.753 1.646 ( -1.265 2.209 1.048) 2.753 1.789 ( -1.740 0.126 -1.495) 2.298 1.789 ( -1.740 0.126 1.495) 2.298 2.070 ( 1.722 -0.600 -21.845) 21.921 2.070 ( 1.722 -0.600 21.845) 21.921 2.263 ( -1.419 -0.715 -0.418) 1.643 2.263 ( -1.419 -0.715 0.418) 1.643 2.382 ( -2.465 1.893 -1.908) 3.647 2.382 ( -2.465 1.893 1.908) 3.647 2.951 ( 2.108 -0.265 -3.082) 3.743 2.951 ( 2.108 -0.265 3.082) 3.743 3.281 ( -5.606 -0.571 -3.000) 6.384 3.281 ( -5.606 -0.571 3.000) 6.384 3.469 ( -0.197 -0.074 -0.683) 0.715 3.469 ( -0.197 -0.074 0.683) 0.715 3.523 ( 0.709 -0.065 -0.928) 1.169 3.523 ( 0.709 -0.065 0.928) 1.169 3.825 ( -0.853 -0.030 -3.389) 3.495 3.825 ( -0.853 -0.030 3.389) 3.495 3.961 ( 0.802 -0.116 -0.082) 0.815 3.961 ( 0.802 -0.116 0.082) 0.815 4.496 ( -1.267 -0.511 -3.948) 4.177 4.496 ( -1.267 -0.511 3.948) 4.177 4.676 ( 4.717 0.201 -1.482) 4.949 4.676 ( 4.717 0.201 1.482) 4.949 5.497 ( 0.185 -0.440 -3.699) 3.729 5.497 ( 0.185 -0.440 3.699) 3.729 ======================= Grid point 342 (100/129) ======================= q-point: (-0.42 0.08 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -0.295 0.140 -2.087) 2.113 1.018 ( -0.295 0.140 2.087) 2.113 1.149 ( -9.182 -3.999 -4.900) 11.149 1.149 ( -9.182 -3.999 4.900) 11.149 1.378 ( 1.518 -3.326 -1.048) 3.803 1.378 ( 1.518 -3.326 1.048) 3.803 1.515 ( -7.382 1.945 -0.671) 7.663 1.515 ( -7.382 1.945 0.671) 7.663 1.591 ( 0.542 1.853 -1.971) 2.759 1.591 ( 0.542 1.853 1.971) 2.759 1.810 ( 1.932 -0.092 -4.228) 4.649 1.810 ( 1.932 -0.092 4.228) 4.649 2.099 ( 0.108 -0.127 -17.792) 17.793 2.099 ( 0.108 -0.127 17.792) 17.793 2.158 ( -8.866 0.291 -2.855) 9.319 2.158 ( -8.866 0.291 2.855) 9.319 2.321 ( -3.213 1.817 -1.372) 3.938 2.321 ( -3.213 1.817 1.372) 3.938 3.004 ( 2.438 -0.556 -3.161) 4.031 3.004 ( 2.438 -0.556 3.161) 4.031 3.175 ( -5.033 -0.032 -2.681) 5.702 3.175 ( -5.033 -0.032 2.681) 5.702 3.467 ( 0.434 -0.213 -0.667) 0.824 3.467 ( 0.434 -0.213 0.667) 0.824 3.548 ( 1.809 -0.316 -0.884) 2.038 3.548 ( 1.809 -0.316 0.884) 2.038 3.801 ( -1.802 -0.111 -3.768) 4.179 3.801 ( -1.802 -0.111 3.768) 4.179 3.967 ( -0.447 -0.173 -0.357) 0.598 3.967 ( -0.447 -0.173 0.357) 0.598 4.478 ( -0.987 -0.955 -0.302) 1.406 4.478 ( -0.987 -0.955 0.302) 1.406 4.789 ( 6.855 0.280 -3.007) 7.491 4.789 ( 6.855 0.280 3.007) 7.491 5.509 ( 0.816 -0.751 -2.911) 3.115 5.509 ( 0.816 -0.751 2.911) 3.115 ======================= Grid point 344 (101/129) ======================= q-point: (-0.33 0.08 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -10.698 -1.600 -1.958) 10.993 0.938 ( -10.698 -1.600 1.958) 10.993 1.005 ( -4.937 -1.632 -3.881) 6.488 1.005 ( -4.937 -1.632 3.881) 6.488 1.371 ( -4.533 1.729 -0.452) 4.873 1.371 ( -4.533 1.729 0.452) 4.873 1.433 ( 0.381 -3.829 -2.562) 4.623 1.433 ( 0.381 -3.829 2.562) 4.623 1.600 ( 0.445 0.610 -2.231) 2.355 1.600 ( 0.445 0.610 2.231) 2.355 1.822 ( -1.397 -0.176 -4.302) 4.526 1.822 ( -1.397 -0.176 4.302) 4.526 1.904 ( -12.451 2.436 -1.785) 12.812 1.904 ( -12.451 2.436 1.785) 12.812 2.136 ( 0.769 0.310 -17.737) 17.757 2.136 ( 0.769 0.310 17.737) 17.757 2.214 ( -6.875 1.230 -3.529) 7.826 2.214 ( -6.875 1.230 3.529) 7.826 3.016 ( -1.828 0.029 -3.297) 3.770 3.016 ( -1.828 0.029 3.297) 3.770 3.105 ( -2.055 0.538 -2.423) 3.223 3.105 ( -2.055 0.538 2.423) 3.223 3.496 ( 1.888 -0.170 -1.016) 2.150 3.496 ( 1.888 -0.170 1.016) 2.150 3.583 ( 0.721 -0.323 -0.563) 0.970 3.583 ( 0.721 -0.323 0.563) 0.970 3.771 ( -0.323 -0.272 -2.894) 2.925 3.771 ( -0.323 -0.272 2.894) 2.925 3.946 ( -1.626 -0.029 -0.284) 1.651 3.946 ( -1.626 -0.029 0.284) 1.651 4.466 ( -0.941 -1.563 -3.093) 3.591 4.466 ( -0.941 -1.563 3.093) 3.591 4.924 ( 7.137 0.410 -6.069) 9.378 4.924 ( 7.137 0.410 6.069) 9.378 5.538 ( 1.884 -0.785 -1.731) 2.677 5.538 ( 1.884 -0.785 1.731) 2.677 ======================= Grid point 346 (102/129) ======================= q-point: (-0.25 0.08 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -12.526 -0.944 -4.098) 13.213 0.712 ( -12.526 -0.944 4.098) 13.213 0.898 ( -6.199 2.488 -2.628) 7.178 0.898 ( -6.199 2.488 2.628) 7.178 1.314 ( -1.722 1.301 -2.094) 3.008 1.314 ( -1.722 1.301 2.094) 3.008 1.416 ( -6.260 -6.232 -4.110) 9.743 1.416 ( -6.260 -6.232 4.110) 9.743 1.558 ( -3.403 0.210 -7.984) 8.681 1.558 ( -3.403 0.210 7.984) 8.681 1.722 ( -2.294 3.120 -2.123) 4.416 1.722 ( -2.294 3.120 2.123) 4.416 1.785 ( -4.236 -2.336 -4.367) 6.517 1.785 ( -4.236 -2.336 4.367) 6.517 2.027 ( -8.470 1.971 -2.126) 8.952 2.027 ( -8.470 1.971 2.126) 8.952 2.183 ( 2.551 1.912 -16.872) 17.171 2.183 ( 2.551 1.912 16.872) 17.171 2.940 ( -5.317 0.557 -2.628) 5.957 2.940 ( -5.317 0.557 2.628) 5.957 3.083 ( -0.368 0.727 -2.608) 2.733 3.083 ( -0.368 0.727 2.608) 2.733 3.476 ( -5.604 -0.557 -1.827) 5.920 3.476 ( -5.604 -0.557 1.827) 5.920 3.586 ( 1.311 -0.071 -3.204) 3.463 3.586 ( 1.311 -0.071 3.204) 3.463 3.807 ( 2.345 0.026 -1.050) 2.569 3.807 ( 2.345 0.026 1.050) 2.569 3.928 ( 0.778 0.189 -0.187) 0.822 3.928 ( 0.778 0.189 0.187) 0.822 4.455 ( -1.292 -2.295 -5.564) 6.156 4.455 ( -1.292 -2.295 5.564) 6.156 5.043 ( 5.259 0.525 -7.970) 9.563 5.043 ( 5.259 0.525 7.970) 9.563 5.590 ( 3.207 -0.607 -0.404) 3.288 5.590 ( 3.207 -0.607 0.404) 3.288 ======================= Grid point 348 (103/129) ======================= q-point: (-0.17 0.08 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -8.695 2.665 -5.713) 10.740 0.497 ( -8.695 2.665 5.713) 10.740 0.761 ( -5.861 3.680 -8.475) 10.941 0.761 ( -5.861 3.680 8.475) 10.941 1.182 ( -8.848 0.211 -6.654) 11.073 1.182 ( -8.848 0.211 6.654) 11.073 1.382 ( 0.426 -3.418 -3.524) 4.928 1.382 ( 0.426 -3.418 3.524) 4.928 1.540 ( 0.125 -0.097 -8.791) 8.792 1.540 ( 0.125 -0.097 8.791) 8.792 1.682 ( -2.281 -0.872 -2.074) 3.204 1.682 ( -2.281 -0.872 2.074) 3.204 1.710 ( -4.595 -3.954 -2.134) 6.427 1.710 ( -4.595 -3.954 2.134) 6.427 1.901 ( -2.305 4.795 -2.466) 5.864 1.901 ( -2.305 4.795 2.466) 5.864 2.235 ( 3.717 1.919 -17.231) 17.731 2.235 ( 3.717 1.919 17.231) 17.731 2.837 ( -4.515 0.337 -1.807) 4.875 2.837 ( -4.515 0.337 1.807) 4.875 3.065 ( -1.411 0.503 -2.035) 2.526 3.065 ( -1.411 0.503 2.035) 2.526 3.345 ( -6.674 -0.650 -2.442) 7.137 3.345 ( -6.674 -0.650 2.442) 7.137 3.617 ( 1.370 0.353 -2.452) 2.831 3.617 ( 1.370 0.353 2.452) 2.831 3.820 ( -0.228 0.195 -0.154) 0.337 3.820 ( -0.228 0.195 0.154) 0.337 3.974 ( 2.813 0.232 -1.119) 3.037 3.974 ( 2.813 0.232 1.119) 3.037 4.441 ( -1.310 -2.762 -6.683) 7.349 4.441 ( -1.310 -2.762 6.683) 7.349 5.114 ( 2.471 0.527 -8.571) 8.936 5.114 ( 2.471 0.527 8.571) 8.936 5.657 ( 3.084 -0.488 -1.291) 3.379 5.657 ( 3.084 -0.488 1.291) 3.379 ======================= Grid point 350 (104/129) ======================= q-point: (-0.08 0.08 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 0.000 4.639 -8.606) 9.777 0.387 ( 0.000 4.639 8.606) 9.777 0.679 ( 0.000 2.416 -12.910) 13.134 0.679 ( 0.000 2.416 12.910) 13.134 1.089 ( 0.000 0.019 -9.756) 9.756 1.089 ( 0.000 0.019 9.756) 9.756 1.401 ( -0.000 -1.388 -4.371) 4.586 1.401 ( -0.000 -1.388 4.371) 4.586 1.542 ( -0.000 -0.367 -10.337) 10.344 1.542 ( -0.000 -0.367 10.337) 10.344 1.660 ( -0.000 -0.111 -0.929) 0.936 1.660 ( -0.000 -0.111 0.929) 0.936 1.685 ( -0.000 -5.723 -0.553) 5.750 1.685 ( -0.000 -5.723 0.553) 5.750 1.863 ( 0.000 5.172 -2.881) 5.921 1.863 ( 0.000 5.172 2.881) 5.921 2.276 ( 0.000 1.099 -16.430) 16.467 2.276 ( 0.000 1.099 16.430) 16.467 2.788 ( 0.000 0.082 -1.416) 1.418 2.788 ( 0.000 0.082 1.416) 1.418 3.040 ( 0.000 0.096 -0.158) 0.185 3.040 ( 0.000 0.096 0.158) 0.185 3.276 ( -0.000 -0.128 -2.381) 2.384 3.276 ( -0.000 -0.128 2.381) 2.384 3.628 ( 0.000 0.359 -2.133) 2.163 3.628 ( 0.000 0.359 2.133) 2.163 3.817 ( 0.000 0.052 -0.869) 0.871 3.817 ( 0.000 0.052 0.869) 0.871 4.002 ( 0.000 0.242 -1.163) 1.188 4.002 ( 0.000 0.242 1.163) 1.188 4.440 ( -0.000 -2.323 -6.927) 7.306 4.440 ( -0.000 -2.323 6.927) 7.306 5.135 ( 0.000 0.408 -8.610) 8.619 5.135 ( 0.000 0.408 8.610) 8.619 5.693 ( -0.000 -0.448 -2.583) 2.622 5.693 ( -0.000 -0.448 2.583) 2.622 ======================= Grid point 356 (105/129) ======================= q-point: ( 0.17 0.17 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.786 0.000 -0.780) 1.108 1.021 ( 0.786 0.000 0.780) 1.108 1.251 ( 6.359 0.000 -3.613) 7.314 1.251 ( 6.359 0.000 3.613) 7.314 1.359 ( 4.242 0.000 -0.997) 4.357 1.359 ( 4.242 0.000 0.997) 4.357 1.536 ( 1.151 0.000 -0.718) 1.357 1.536 ( 1.151 0.000 0.718) 1.357 1.566 ( 0.973 0.000 -1.522) 1.806 1.566 ( 0.973 0.000 1.522) 1.806 1.795 ( -2.164 -0.000 -3.365) 4.001 1.795 ( -2.164 -0.000 3.365) 4.001 2.102 ( 2.143 0.000 -14.710) 14.866 2.102 ( 2.143 0.000 14.710) 14.866 2.152 ( 9.740 0.000 -7.637) 12.377 2.152 ( 9.740 0.000 7.637) 12.377 2.286 ( 1.533 0.000 -1.898) 2.440 2.286 ( 1.533 0.000 1.898) 2.440 3.014 ( -2.290 -0.000 -3.045) 3.810 3.014 ( -2.290 -0.000 3.045) 3.810 3.176 ( 5.730 0.000 -2.546) 6.270 3.176 ( 5.730 0.000 2.546) 6.270 3.471 ( -0.504 -0.000 -0.406) 0.647 3.471 ( -0.504 -0.000 0.406) 0.647 3.554 ( -1.871 -0.000 -0.745) 2.014 3.554 ( -1.871 -0.000 0.745) 2.014 3.803 ( 1.659 0.000 -3.916) 4.253 3.803 ( 1.659 0.000 3.916) 4.253 3.971 ( 0.462 0.000 -0.363) 0.588 3.971 ( 0.462 0.000 0.363) 0.588 4.496 ( 0.477 0.000 -0.104) 0.489 4.496 ( 0.477 0.000 0.104) 0.489 4.783 ( -6.743 -0.000 -2.090) 7.059 4.783 ( -6.743 -0.000 2.090) 7.059 5.523 ( -1.004 -0.000 -3.324) 3.472 5.523 ( -1.004 -0.000 3.324) 3.472 ======================= Grid point 358 (106/129) ======================= q-point: ( 0.25 0.17 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -2.677 -0.006 -1.748) 3.197 0.993 ( -2.677 -0.006 1.748) 3.197 1.302 ( 0.501 0.801 -3.723) 3.841 1.302 ( 0.501 0.801 3.723) 3.841 1.439 ( 4.042 0.246 -1.325) 4.261 1.439 ( 4.042 0.246 1.325) 4.261 1.549 ( -0.399 -0.317 -3.583) 3.619 1.549 ( -0.399 -0.317 3.583) 3.619 1.629 ( 1.857 0.173 -0.803) 2.031 1.629 ( 1.857 0.173 0.803) 2.031 1.770 ( 2.000 -0.379 -0.453) 2.085 1.770 ( 2.000 -0.379 0.453) 2.085 2.086 ( -1.817 0.201 -21.025) 21.105 2.086 ( -1.817 0.201 21.025) 21.105 2.269 ( -1.005 -0.126 -0.658) 1.208 2.269 ( -1.005 -0.126 0.658) 1.208 2.344 ( 6.306 -0.297 -0.903) 6.377 2.344 ( 6.306 -0.297 0.903) 6.377 2.958 ( -2.636 0.079 -2.760) 3.817 2.958 ( -2.636 0.079 2.760) 3.817 3.294 ( 5.797 0.142 -3.051) 6.553 3.294 ( 5.797 0.142 3.051) 6.553 3.471 ( -0.090 0.014 -0.860) 0.865 3.471 ( -0.090 0.014 0.860) 0.865 3.525 ( -1.068 0.019 -0.835) 1.356 3.525 ( -1.068 0.019 0.835) 1.356 3.826 ( 0.807 0.008 -3.406) 3.501 3.826 ( 0.807 0.008 3.406) 3.501 3.964 ( -0.918 0.033 -0.041) 0.919 3.964 ( -0.918 0.033 0.041) 0.919 4.508 ( 0.768 0.128 -4.442) 4.510 4.508 ( 0.768 0.128 4.442) 4.510 4.672 ( -4.606 -0.046 -2.457) 5.220 4.672 ( -4.606 -0.046 2.457) 5.220 5.507 ( -0.671 0.119 -3.974) 4.032 5.507 ( -0.671 0.119 3.974) 4.032 ======================= Grid point 360 (107/129) ======================= q-point: ( 0.33 0.17 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.268 -0.396 -1.489) 1.564 0.964 ( 0.268 -0.396 1.489) 1.564 1.286 ( -1.509 1.550 -4.907) 5.362 1.286 ( -1.509 1.550 4.907) 5.362 1.459 ( -4.011 -1.358 -0.776) 4.305 1.459 ( -4.011 -1.358 0.776) 4.305 1.553 ( 1.728 0.181 -0.986) 1.998 1.553 ( 1.728 0.181 0.986) 1.998 1.629 ( 1.186 -0.091 -2.220) 2.519 1.629 ( 1.186 -0.091 2.220) 2.519 1.835 ( 1.025 0.248 -1.067) 1.500 1.835 ( 1.025 0.248 1.067) 1.500 2.049 ( -0.958 0.016 -22.160) 22.181 2.049 ( -0.958 0.016 22.160) 22.181 2.256 ( 0.002 -0.533 -0.912) 1.056 2.256 ( 0.002 -0.533 0.912) 1.056 2.413 ( 1.176 0.425 -1.729) 2.134 2.413 ( 1.176 0.425 1.729) 2.134 2.931 ( -0.136 -0.007 -3.154) 3.157 2.931 ( -0.136 -0.007 3.154) 3.157 3.350 ( -1.105 -0.074 -3.548) 3.717 3.350 ( -1.105 -0.074 3.548) 3.717 3.466 ( 0.268 0.068 -1.491) 1.516 3.466 ( 0.268 0.068 1.491) 1.516 3.516 ( 0.063 -0.014 -1.056) 1.058 3.516 ( 0.063 -0.014 1.056) 1.058 3.834 ( -0.029 0.001 -3.440) 3.440 3.834 ( -0.029 0.001 3.440) 3.440 3.950 ( -0.122 -0.002 -0.295) 0.320 3.950 ( -0.122 -0.002 0.295) 0.320 4.514 ( -0.559 -0.025 -8.056) 8.075 4.514 ( -0.559 -0.025 8.056) 8.075 4.625 ( 0.284 0.028 -5.886) 5.893 4.625 ( 0.284 0.028 5.886) 5.893 5.496 ( -0.418 -0.000 -4.038) 4.060 5.496 ( -0.418 -0.000 4.038) 4.060 ======================= Grid point 362 (108/129) ======================= q-point: (-0.58 0.17 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 2.628 0.241 -0.830) 2.766 1.002 ( 2.628 0.241 0.830) 2.766 1.232 ( -4.000 -0.454 -6.091) 7.301 1.232 ( -4.000 -0.454 6.091) 7.301 1.362 ( -5.314 -2.969 -1.710) 6.323 1.362 ( -5.314 -2.969 1.710) 6.323 1.575 ( 0.243 0.105 -2.643) 2.656 1.575 ( 0.243 0.105 2.643) 2.656 1.670 ( 0.997 2.493 -1.575) 3.113 1.670 ( 0.997 2.493 1.575) 3.113 1.787 ( -2.913 -0.484 -1.442) 3.286 1.787 ( -2.913 -0.484 1.442) 3.286 2.065 ( 1.701 -0.419 -22.214) 22.283 2.065 ( 1.701 -0.419 22.214) 22.283 2.256 ( -1.515 -0.654 -0.328) 1.683 2.256 ( -1.515 -0.654 0.328) 1.683 2.399 ( -1.849 1.432 -2.066) 3.121 2.399 ( -1.849 1.432 2.066) 3.121 2.949 ( 1.913 -0.187 -3.197) 3.731 2.949 ( 1.913 -0.187 3.197) 3.731 3.276 ( -5.497 -0.430 -2.964) 6.260 3.276 ( -5.497 -0.430 2.964) 6.260 3.469 ( -0.338 -0.059 -0.581) 0.675 3.469 ( -0.338 -0.059 0.581) 0.675 3.523 ( 0.583 -0.046 -0.988) 1.148 3.523 ( 0.583 -0.046 0.988) 1.148 3.825 ( -0.869 -0.023 -3.379) 3.489 3.825 ( -0.869 -0.023 3.379) 3.489 3.960 ( 0.765 -0.082 -0.082) 0.773 3.960 ( 0.765 -0.082 0.082) 0.773 4.491 ( -1.443 -0.382 -3.792) 4.075 4.491 ( -1.443 -0.382 3.792) 4.075 4.678 ( 4.746 0.154 -1.091) 4.873 4.678 ( 4.746 0.154 1.091) 4.873 5.493 ( 0.010 -0.322 -3.584) 3.598 5.493 ( 0.010 -0.322 3.584) 3.598 ======================= Grid point 364 (109/129) ======================= q-point: (-0.50 0.17 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -0.587 0.635 -2.078) 2.250 1.022 ( -0.587 0.635 2.078) 2.250 1.112 ( -9.354 -3.391 -5.148) 11.203 1.112 ( -9.354 -3.391 5.148) 11.203 1.341 ( 0.822 -3.528 -1.932) 4.106 1.341 ( 0.822 -3.528 1.932) 4.106 1.532 ( -5.613 1.147 -1.586) 5.944 1.532 ( -5.613 1.147 1.586) 5.944 1.616 ( -0.837 3.083 -2.063) 3.803 1.616 ( -0.837 3.083 2.063) 3.803 1.805 ( 1.819 -0.911 -4.385) 4.834 1.805 ( 1.819 -0.911 4.385) 4.834 2.098 ( 0.999 -0.085 -18.988) 19.014 2.098 ( 0.999 -0.085 18.988) 19.014 2.161 ( -8.290 0.213 -1.005) 8.353 2.161 ( -8.290 0.213 1.005) 8.353 2.338 ( -3.875 1.552 -1.073) 4.310 2.338 ( -3.875 1.552 1.073) 4.310 2.999 ( 2.482 -0.508 -3.188) 4.073 2.999 ( 2.482 -0.508 3.188) 4.073 3.174 ( -4.674 -0.003 -2.725) 5.410 3.174 ( -4.674 -0.003 2.725) 5.410 3.465 ( 0.422 -0.196 -0.643) 0.794 3.465 ( 0.422 -0.196 0.643) 0.794 3.545 ( 1.764 -0.282 -0.943) 2.020 3.545 ( 1.764 -0.282 0.943) 2.020 3.800 ( -1.871 -0.094 -3.687) 4.135 3.800 ( -1.871 -0.094 3.687) 4.135 3.966 ( -0.444 -0.146 -0.350) 0.584 3.966 ( -0.444 -0.146 0.350) 0.584 4.469 ( -1.243 -0.838 -0.306) 1.529 4.469 ( -1.243 -0.838 0.306) 1.529 4.791 ( 6.904 0.244 -3.365) 7.684 4.791 ( 6.904 0.244 3.365) 7.684 5.502 ( 0.731 -0.643 -2.652) 2.825 5.502 ( 0.731 -0.643 2.652) 2.825 ======================= Grid point 366 (110/129) ======================= q-point: (-0.42 0.17 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -11.305 -2.764 -4.892) 12.625 0.915 ( -11.305 -2.764 4.892) 12.625 0.999 ( -2.662 0.262 -3.908) 4.736 0.999 ( -2.662 0.262 3.908) 4.736 1.346 ( -4.129 -4.838 -1.579) 6.553 1.346 ( -4.129 -4.838 1.579) 6.553 1.436 ( -1.176 2.648 -2.696) 3.958 1.436 ( -1.176 2.648 2.696) 3.958 1.609 ( 0.000 1.227 -2.194) 2.514 1.609 ( 0.000 1.227 2.194) 2.514 1.813 ( -2.155 -1.454 -4.431) 5.137 1.813 ( -2.155 -1.454 4.431) 5.137 1.930 ( -11.726 2.408 -1.225) 12.033 1.930 ( -11.726 2.408 1.225) 12.033 2.138 ( 0.818 0.164 -16.984) 17.004 2.138 ( 0.818 0.164 16.984) 17.004 2.228 ( -6.210 1.414 -3.811) 7.422 2.228 ( -6.210 1.414 3.811) 7.422 3.016 ( -1.382 0.023 -3.416) 3.685 3.016 ( -1.382 0.023 3.416) 3.685 3.110 ( -1.856 0.525 -2.407) 3.084 3.110 ( -1.856 0.525 2.407) 3.084 3.494 ( 1.970 -0.146 -1.054) 2.239 3.494 ( 1.970 -0.146 1.054) 2.239 3.579 ( 0.621 -0.357 -0.659) 0.973 3.579 ( 0.621 -0.357 0.659) 0.973 3.768 ( -0.350 -0.273 -2.599) 2.637 3.768 ( -0.350 -0.273 2.599) 2.637 3.945 ( -1.490 -0.042 -0.279) 1.516 3.945 ( -1.490 -0.042 0.279) 1.516 4.450 ( -1.368 -1.566 -2.480) 3.237 4.450 ( -1.368 -1.566 2.480) 3.237 4.928 ( 7.221 0.398 -6.405) 9.660 4.928 ( 7.221 0.398 6.405) 9.660 5.530 ( 1.930 -0.752 -1.425) 2.514 5.530 ( 1.930 -0.752 1.425) 2.514 ======================= Grid point 368 (111/129) ======================= q-point: (-0.33 0.17 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -10.830 -0.422 -4.785) 11.847 0.705 ( -10.830 -0.422 4.785) 11.847 0.925 ( -4.555 2.748 -2.589) 5.917 0.925 ( -4.555 2.748 2.589) 5.917 1.298 ( -2.618 -5.251 -0.271) 5.874 1.298 ( -2.618 -5.251 0.271) 5.874 1.387 ( -5.573 1.083 -4.598) 7.306 1.387 ( -5.573 1.083 4.598) 7.306 1.561 ( -3.463 0.472 -7.707) 8.462 1.561 ( -3.463 0.472 7.707) 8.462 1.738 ( -4.003 -0.972 -1.879) 4.528 1.738 ( -4.003 -0.972 1.879) 4.528 1.767 ( -5.441 -0.023 -1.737) 5.712 1.767 ( -5.441 -0.023 1.737) 5.712 2.046 ( -7.035 1.866 -3.168) 7.938 2.046 ( -7.035 1.866 3.168) 7.938 2.204 ( 2.979 2.303 -16.842) 17.258 2.204 ( 2.979 2.303 16.842) 17.258 2.946 ( -5.199 0.666 -2.887) 5.983 2.946 ( -5.199 0.666 2.887) 5.983 3.091 ( -0.276 0.831 -2.515) 2.663 3.091 ( -0.276 0.831 2.515) 2.663 3.469 ( -6.099 -0.673 -1.696) 6.366 3.469 ( -6.099 -0.673 1.696) 6.366 3.586 ( 1.712 -0.067 -3.318) 3.734 3.586 ( 1.712 -0.067 3.318) 3.734 3.808 ( 2.616 0.027 -1.314) 2.927 3.808 ( 2.616 0.027 1.314) 2.927 3.930 ( 0.780 0.150 -0.204) 0.820 3.930 ( 0.780 0.150 0.204) 0.820 4.430 ( -1.841 -2.582 -4.203) 5.265 4.430 ( -1.841 -2.582 4.203) 5.265 5.049 ( 5.323 0.563 -8.155) 9.754 5.049 ( 5.323 0.563 8.155) 9.754 5.584 ( 3.322 -0.593 -0.446) 3.404 5.584 ( 3.322 -0.593 0.446) 3.404 ======================= Grid point 370 (112/129) ======================= q-point: (-0.25 0.17 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -5.893 3.911 -4.609) 8.442 0.530 ( -5.893 3.911 4.609) 8.442 0.805 ( -5.505 4.939 -6.914) 10.124 0.805 ( -5.505 4.939 6.914) 10.124 1.182 ( -9.027 -0.481 -5.428) 10.544 1.182 ( -9.027 -0.481 5.428) 10.544 1.345 ( 1.337 -3.580 -4.182) 5.665 1.345 ( 1.337 -3.580 4.182) 5.665 1.539 ( -0.038 -0.170 -8.926) 8.927 1.539 ( -0.038 -0.170 8.926) 8.927 1.649 ( -5.657 -4.702 -3.436) 8.118 1.649 ( -5.657 -4.702 3.436) 8.118 1.696 ( -2.902 0.021 -1.410) 3.227 1.696 ( -2.902 0.021 1.410) 3.227 1.945 ( -1.815 3.877 -3.203) 5.346 1.945 ( -1.815 3.877 3.203) 5.346 2.259 ( 3.722 2.766 -17.048) 17.668 2.259 ( 3.722 2.766 17.048) 17.668 2.841 ( -4.714 0.464 -1.968) 5.129 2.841 ( -4.714 0.464 1.968) 5.129 3.071 ( -1.662 0.691 -2.013) 2.700 3.071 ( -1.662 0.691 2.013) 2.700 3.337 ( -6.409 -0.880 -1.984) 6.766 3.337 ( -6.409 -0.880 1.984) 6.766 3.621 ( 1.545 0.487 -2.638) 3.096 3.621 ( 1.545 0.487 2.638) 3.096 3.822 ( -0.292 0.262 -0.207) 0.443 3.822 ( -0.292 0.262 0.207) 0.443 3.977 ( 2.888 0.216 -1.256) 3.156 3.977 ( 2.888 0.216 1.256) 3.156 4.409 ( -1.733 -3.527 -4.934) 6.308 4.409 ( -1.733 -3.527 4.934) 6.308 5.120 ( 2.500 0.650 -8.549) 8.931 5.120 ( 2.500 0.650 8.549) 8.931 5.652 ( 3.095 -0.446 -0.903) 3.255 5.652 ( 3.095 -0.446 0.903) 3.255 ======================= Grid point 372 (113/129) ======================= q-point: (-0.17 0.17 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 0.000 7.168 -6.004) 9.350 0.448 ( 0.000 7.168 6.004) 9.350 0.713 ( 0.000 4.279 -11.788) 12.541 0.713 ( 0.000 4.279 11.788) 12.541 1.089 ( 0.000 0.119 -7.972) 7.973 1.089 ( 0.000 0.119 7.972) 7.973 1.381 ( -0.000 -2.572 -3.898) 4.670 1.381 ( -0.000 -2.572 3.898) 4.670 1.535 ( -0.000 -1.258 -10.920) 10.992 1.535 ( -0.000 -1.258 10.920) 10.992 1.627 ( -0.000 -5.371 -2.389) 5.879 1.627 ( -0.000 -5.371 2.389) 5.879 1.658 ( -0.000 -0.207 -1.529) 1.543 1.658 ( -0.000 -0.207 1.529) 1.543 1.913 ( 0.000 4.654 -3.319) 5.716 1.913 ( 0.000 4.654 3.319) 5.716 2.292 ( 0.000 2.221 -16.533) 16.682 2.292 ( 0.000 2.221 16.533) 16.682 2.789 ( 0.000 0.141 -1.428) 1.435 2.789 ( 0.000 0.141 1.428) 1.435 3.041 ( 0.000 0.166 -0.145) 0.220 3.041 ( 0.000 0.166 0.145) 0.220 3.275 ( -0.000 -0.199 -2.021) 2.031 3.275 ( -0.000 -0.199 2.021) 2.031 3.633 ( 0.000 0.613 -2.316) 2.396 3.633 ( 0.000 0.613 2.316) 2.396 3.817 ( 0.000 0.090 -0.866) 0.871 3.817 ( 0.000 0.090 0.866) 0.871 4.005 ( 0.000 0.348 -1.294) 1.340 4.005 ( 0.000 0.348 1.294) 1.340 4.409 ( -0.000 -3.726 -5.510) 6.652 4.409 ( -0.000 -3.726 5.510) 6.652 5.140 ( 0.000 0.644 -8.527) 8.551 5.140 ( 0.000 0.644 8.527) 8.551 5.688 ( -0.000 -0.526 -1.964) 2.033 5.688 ( -0.000 -0.526 1.964) 2.033 ======================= Grid point 382 (114/129) ======================= q-point: ( 0.25 0.25 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.270 0.000 -1.326) 1.354 0.962 ( 0.270 0.000 1.326) 1.354 1.294 ( -1.556 -0.000 -4.712) 4.962 1.294 ( -1.556 -0.000 4.712) 4.962 1.452 ( -4.716 -0.000 -0.738) 4.773 1.452 ( -4.716 -0.000 0.738) 4.773 1.554 ( 1.919 0.000 -1.245) 2.288 1.554 ( 1.919 0.000 1.245) 2.288 1.629 ( 1.412 0.000 -2.248) 2.655 1.629 ( 1.412 0.000 2.248) 2.655 1.837 ( 1.157 0.000 -0.611) 1.309 1.837 ( 1.157 0.000 0.611) 1.309 2.049 ( -1.116 -0.000 -22.331) 22.359 2.049 ( -1.116 -0.000 22.331) 22.359 2.253 ( 0.027 0.000 -1.071) 1.071 2.253 ( 0.027 0.000 1.071) 1.071 2.416 ( 1.340 0.000 -1.724) 2.184 2.416 ( 1.340 0.000 1.724) 2.184 2.931 ( -0.158 -0.000 -3.161) 3.165 2.931 ( -0.158 -0.000 3.161) 3.165 3.349 ( -1.272 -0.000 -3.538) 3.760 3.349 ( -1.272 -0.000 3.538) 3.760 3.466 ( 0.305 0.000 -1.485) 1.516 3.466 ( 0.305 0.000 1.485) 1.516 3.516 ( 0.074 0.000 -1.111) 1.114 3.516 ( 0.074 0.000 1.111) 1.114 3.834 ( -0.034 -0.000 -3.440) 3.440 3.834 ( -0.034 -0.000 3.440) 3.440 3.950 ( -0.141 -0.000 -0.295) 0.327 3.950 ( -0.141 -0.000 0.295) 0.327 4.513 ( -0.645 -0.000 -8.037) 8.063 4.513 ( -0.645 -0.000 8.037) 8.063 4.626 ( 0.327 0.000 -5.866) 5.875 4.626 ( 0.327 0.000 5.866) 5.875 5.496 ( -0.483 -0.000 -4.038) 4.067 5.496 ( -0.483 -0.000 4.038) 4.067 ======================= Grid point 384 (115/129) ======================= q-point: (-0.67 0.25 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 3.121 0.063 -1.149) 3.326 1.003 ( 3.121 0.063 1.149) 3.326 1.232 ( -5.571 0.169 -6.572) 8.617 1.232 ( -5.571 0.169 6.572) 8.617 1.338 ( -5.049 -1.392 -1.939) 5.585 1.338 ( -5.049 -1.392 1.939) 5.585 1.575 ( 0.002 0.016 -2.529) 2.529 1.575 ( 0.002 0.016 2.529) 2.529 1.690 ( 3.131 1.200 -1.955) 3.881 1.690 ( 3.131 1.200 1.955) 3.881 1.782 ( -4.478 -0.428 -1.050) 4.619 1.782 ( -4.478 -0.428 1.050) 4.619 2.062 ( 1.697 -0.149 -22.410) 22.474 2.062 ( 1.697 -0.149 22.410) 22.474 2.251 ( -1.462 -0.260 -0.362) 1.529 2.251 ( -1.462 -0.260 0.362) 1.529 2.409 ( -1.604 0.529 -2.134) 2.721 2.409 ( -1.604 0.529 2.134) 2.721 2.948 ( 1.802 -0.067 -3.264) 3.729 2.948 ( 1.802 -0.067 3.264) 3.729 3.273 ( -5.425 -0.160 -2.938) 6.172 3.273 ( -5.425 -0.160 2.938) 6.172 3.468 ( -0.428 -0.023 -0.509) 0.666 3.468 ( -0.428 -0.023 0.509) 0.666 3.522 ( 0.512 -0.017 -1.028) 1.148 3.522 ( 0.512 -0.017 1.028) 1.148 3.825 ( -0.879 -0.009 -3.373) 3.485 3.825 ( -0.879 -0.009 3.373) 3.485 3.959 ( 0.744 -0.030 -0.079) 0.749 3.959 ( 0.744 -0.030 0.079) 0.749 4.489 ( -1.544 -0.141 -3.708) 4.019 4.489 ( -1.544 -0.141 3.708) 4.019 4.679 ( 4.761 0.058 -0.833) 4.833 4.679 ( 4.761 0.058 0.833) 4.833 5.491 ( -0.091 -0.118 -3.514) 3.517 5.491 ( -0.091 -0.118 3.514) 3.517 ======================= Grid point 386 (116/129) ======================= q-point: (-0.58 0.25 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.879 1.012 -2.414) 2.761 1.030 ( -0.879 1.012 2.414) 2.761 1.083 ( -9.379 -2.406 -5.503) 11.137 1.083 ( -9.379 -2.406 5.503) 11.137 1.313 ( 0.388 -2.123 -2.483) 3.290 1.313 ( 0.388 -2.123 2.483) 3.290 1.539 ( -4.289 0.376 -1.858) 4.689 1.539 ( -4.289 0.376 1.858) 4.689 1.646 ( -2.242 2.557 -1.428) 3.688 1.646 ( -2.242 2.557 1.428) 3.688 1.794 ( 1.974 -1.106 -4.289) 4.849 1.794 ( 1.974 -1.106 4.289) 4.849 2.098 ( 1.566 -0.041 -19.669) 19.731 2.098 ( 1.566 -0.041 19.669) 19.731 2.162 ( -7.826 0.109 -0.246) 7.831 2.162 ( -7.826 0.109 0.246) 7.831 2.351 ( -4.301 0.886 -0.878) 4.478 2.351 ( -4.301 0.886 0.878) 4.478 2.995 ( 2.501 -0.305 -3.195) 4.069 2.995 ( 2.501 -0.305 3.195) 4.069 3.175 ( -4.407 0.009 -2.749) 5.194 3.175 ( -4.407 0.009 2.749) 5.194 3.464 ( 0.423 -0.118 -0.539) 0.696 3.464 ( 0.423 -0.118 0.539) 0.696 3.543 ( 1.723 -0.167 -0.981) 1.989 3.543 ( 1.723 -0.167 0.981) 1.989 3.799 ( -1.920 -0.053 -3.623) 4.101 3.799 ( -1.920 -0.053 3.623) 4.101 3.965 ( -0.445 -0.083 -0.343) 0.568 3.965 ( -0.445 -0.083 0.343) 0.568 4.462 ( -1.430 -0.488 -0.302) 1.541 4.462 ( -1.430 -0.488 0.302) 1.541 4.793 ( 6.937 0.141 -3.601) 7.817 4.793 ( 6.937 0.141 3.601) 7.817 5.497 ( 0.673 -0.369 -2.432) 2.550 5.497 ( 0.673 -0.369 2.432) 2.550 ======================= Grid point 388 (117/129) ======================= q-point: (-0.50 0.25 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -10.539 -2.147 -5.999) 12.315 0.889 ( -10.539 -2.147 5.999) 12.315 1.005 ( -2.071 0.662 -3.538) 4.153 1.005 ( -2.071 0.662 3.538) 4.153 1.301 ( -4.191 -3.787 -2.309) 6.102 1.301 ( -4.191 -3.787 2.309) 6.102 1.460 ( -1.788 1.878 -2.932) 3.914 1.460 ( -1.788 1.878 2.932) 3.914 1.624 ( -0.170 1.672 -2.112) 2.699 1.624 ( -0.170 1.672 2.112) 2.699 1.796 ( -3.050 -1.709 -4.270) 5.519 1.796 ( -3.050 -1.709 4.270) 5.519 1.950 ( -11.313 1.567 -2.056) 11.605 1.950 ( -11.313 1.567 2.056) 11.605 2.139 ( 0.818 0.055 -16.344) 16.365 2.139 ( 0.818 0.055 16.344) 16.365 2.241 ( -5.572 1.118 -3.988) 6.943 2.241 ( -5.572 1.118 3.988) 6.943 3.016 ( -0.966 0.013 -3.540) 3.670 3.016 ( -0.966 0.013 3.540) 3.670 3.115 ( -1.708 0.376 -2.392) 2.963 3.115 ( -1.708 0.376 2.392) 2.963 3.493 ( 2.060 -0.088 -1.074) 2.325 3.493 ( 2.060 -0.088 1.074) 2.325 3.576 ( 0.513 -0.287 -0.723) 0.932 3.576 ( 0.513 -0.287 0.723) 0.932 3.766 ( -0.375 -0.200 -2.320) 2.359 3.766 ( -0.375 -0.200 2.320) 2.359 3.945 ( -1.385 -0.040 -0.284) 1.415 3.945 ( -1.385 -0.040 0.284) 1.415 4.436 ( -1.725 -1.148 -1.919) 2.825 4.436 ( -1.725 -1.148 1.919) 2.825 4.932 ( 7.284 0.284 -6.670) 9.880 4.932 ( 7.284 0.284 6.670) 9.880 5.523 ( 1.988 -0.529 -1.058) 2.313 5.523 ( 1.988 -0.529 1.058) 2.313 ======================= Grid point 390 (118/129) ======================= q-point: (-0.42 0.25 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -8.898 0.102 -4.756) 10.090 0.704 ( -8.898 0.102 4.756) 10.090 0.952 ( -2.955 2.693 -2.610) 4.775 0.952 ( -2.955 2.693 2.610) 4.775 1.235 ( -4.076 -6.292 -2.426) 7.879 1.235 ( -4.076 -6.292 2.426) 7.879 1.412 ( -4.350 2.803 -3.724) 6.376 1.412 ( -4.350 2.803 3.724) 6.376 1.570 ( -4.132 1.370 -6.863) 8.127 1.570 ( -4.132 1.370 6.863) 8.127 1.710 ( -5.726 -3.733 -2.898) 7.425 1.710 ( -5.726 -3.733 2.898) 7.425 1.778 ( -5.652 1.332 -3.571) 6.817 1.778 ( -5.652 1.332 3.571) 6.817 2.062 ( -6.007 1.298 -4.071) 7.372 2.062 ( -6.007 1.298 4.071) 7.372 2.227 ( 3.325 2.064 -16.731) 17.182 2.227 ( 3.325 2.064 16.731) 17.182 2.953 ( -5.083 0.600 -3.184) 6.028 2.953 ( -5.083 0.600 3.184) 6.028 3.099 ( -0.160 0.713 -2.400) 2.509 3.099 ( -0.160 0.713 2.400) 2.509 3.463 ( -6.613 -0.617 -1.523) 6.814 3.463 ( -6.613 -0.617 1.523) 6.814 3.585 ( 2.127 -0.048 -3.424) 4.031 3.585 ( 2.127 -0.048 3.424) 4.031 3.808 ( 2.885 0.020 -1.521) 3.262 3.808 ( 2.885 0.020 1.521) 3.262 3.931 ( 0.743 0.068 -0.177) 0.767 3.931 ( 0.743 0.068 0.177) 0.767 4.406 ( -2.320 -2.170 -2.830) 4.254 4.406 ( -2.320 -2.170 2.830) 4.254 5.054 ( 5.369 0.453 -8.302) 9.897 5.054 ( 5.369 0.453 8.302) 9.897 5.579 ( 3.485 -0.426 -0.480) 3.544 5.579 ( 3.485 -0.426 0.480) 3.544 ======================= Grid point 392 (119/129) ======================= q-point: (-0.33 0.25 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -3.281 4.232 -2.891) 6.086 0.572 ( -3.281 4.232 2.891) 6.086 0.856 ( -4.889 5.259 -5.497) 9.043 0.856 ( -4.889 5.259 5.497) 9.043 1.167 ( -7.021 -2.787 -4.367) 8.726 1.167 ( -7.021 -2.787 4.367) 8.726 1.320 ( -0.311 -1.213 -4.005) 4.196 1.320 ( -0.311 -1.213 4.005) 4.196 1.537 ( -0.560 -0.388 -9.471) 9.495 1.537 ( -0.560 -0.388 9.471) 9.495 1.603 ( -6.041 -4.392 -2.143) 7.770 1.603 ( -6.041 -4.392 2.143) 7.770 1.697 ( -3.330 0.220 -2.204) 3.999 1.697 ( -3.330 0.220 2.204) 3.999 1.977 ( -1.651 2.651 -4.041) 5.107 1.977 ( -1.651 2.651 4.041) 5.107 2.288 ( 3.836 2.847 -16.797) 17.463 2.288 ( 3.836 2.847 16.797) 17.463 2.845 ( -4.953 0.470 -2.152) 5.420 2.845 ( -4.953 0.470 2.152) 5.420 3.079 ( -1.970 0.698 -1.972) 2.874 3.079 ( -1.970 0.698 1.972) 2.874 3.328 ( -6.056 -0.878 -1.457) 6.291 3.328 ( -6.056 -0.878 1.457) 6.291 3.626 ( 1.731 0.487 -2.856) 3.375 3.626 ( 1.731 0.487 2.856) 3.375 3.825 ( -0.366 0.254 -0.216) 0.496 3.825 ( -0.366 0.254 0.216) 0.496 3.978 ( 2.966 0.090 -1.517) 3.332 3.978 ( 2.966 0.090 1.517) 3.332 4.374 ( -2.091 -3.238 -3.275) 5.058 4.374 ( -2.091 -3.238 3.275) 5.058 5.127 ( 2.525 0.582 -8.467) 8.855 5.127 ( 2.525 0.582 8.467) 8.855 5.649 ( 3.175 -0.229 -0.571) 3.234 5.649 ( 3.175 -0.229 0.571) 3.234 ======================= Grid point 394 (120/129) ======================= q-point: (-0.25 0.25 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.000 7.499 -3.257) 8.175 0.522 ( 0.000 7.499 3.257) 8.175 0.761 ( 0.000 5.199 -10.349) 11.582 0.761 ( 0.000 5.199 10.349) 11.582 1.091 ( 0.000 0.248 -6.093) 6.098 1.091 ( 0.000 0.248 6.093) 6.098 1.352 ( -0.000 -3.330 -3.276) 4.671 1.352 ( -0.000 -3.330 3.276) 4.671 1.513 ( -0.000 -3.180 -11.279) 11.719 1.513 ( -0.000 -3.180 11.279) 11.719 1.585 ( -0.000 -2.840 -4.768) 5.550 1.585 ( -0.000 -2.840 4.768) 5.550 1.656 ( -0.000 -0.258 -2.262) 2.277 1.656 ( -0.000 -0.258 2.262) 2.277 1.952 ( 0.000 3.261 -4.113) 5.249 1.952 ( 0.000 3.261 4.113) 5.249 2.318 ( 0.000 2.889 -16.389) 16.641 2.318 ( 0.000 2.889 16.389) 16.641 2.791 ( 0.000 0.163 -1.442) 1.451 2.791 ( 0.000 0.163 1.442) 1.451 3.043 ( 0.000 0.191 -0.125) 0.228 3.043 ( 0.000 0.191 0.125) 0.228 3.273 ( -0.000 -0.193 -1.604) 1.616 3.273 ( -0.000 -0.193 1.604) 1.616 3.640 ( 0.000 0.686 -2.555) 2.646 3.640 ( 0.000 0.686 2.555) 2.646 3.818 ( 0.000 0.104 -0.863) 0.869 3.818 ( 0.000 0.104 0.863) 0.869 4.008 ( 0.000 0.278 -1.599) 1.623 4.008 ( 0.000 0.278 1.599) 1.623 4.370 ( -0.000 -3.851 -4.326) 5.792 4.370 ( -0.000 -3.851 4.326) 5.792 5.147 ( 0.000 0.661 -8.354) 8.381 5.147 ( 0.000 0.661 8.354) 8.381 5.684 ( -0.000 -0.285 -1.303) 1.334 5.684 ( -0.000 -0.285 1.303) 1.334 ======================= Grid point 408 (121/129) ======================= q-point: (-0.67 0.33 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.301 -0.000 -3.907) 3.919 1.037 ( -0.301 -0.000 3.907) 3.919 1.069 ( -10.076 -0.000 -6.711) 12.106 1.069 ( -10.076 -0.000 6.711) 12.106 1.302 ( 0.262 0.000 -2.664) 2.677 1.302 ( 0.262 0.000 2.664) 2.677 1.541 ( -3.904 -0.000 -1.915) 4.348 1.541 ( -3.904 -0.000 1.915) 4.348 1.660 ( -2.862 -0.000 -0.025) 2.862 1.660 ( -2.862 -0.000 0.025) 2.862 1.788 ( 2.201 0.000 -4.140) 4.688 1.788 ( 2.201 0.000 4.140) 4.688 2.097 ( 1.756 0.000 -19.874) 19.951 2.097 ( 1.756 0.000 19.874) 19.951 2.163 ( -7.648 -0.000 -0.649) 7.675 2.163 ( -7.648 -0.000 0.649) 7.675 2.355 ( -4.446 -0.000 -0.816) 4.520 2.355 ( -4.446 -0.000 0.816) 4.520 2.993 ( 2.506 0.000 -3.195) 4.060 2.993 ( 2.506 0.000 3.195) 4.060 3.175 ( -4.308 -0.000 -2.756) 5.115 3.175 ( -4.308 -0.000 2.756) 5.115 3.463 ( 0.426 0.000 -0.470) 0.634 3.463 ( 0.426 0.000 0.470) 0.634 3.542 ( 1.706 0.000 -0.993) 1.974 3.542 ( 1.706 0.000 0.993) 1.974 3.799 ( -1.938 -0.000 -3.600) 4.088 3.799 ( -1.938 -0.000 3.600) 4.088 3.964 ( -0.446 -0.000 -0.340) 0.560 3.964 ( -0.446 -0.000 0.340) 0.560 4.459 ( -1.499 -0.000 -0.301) 1.529 4.459 ( -1.499 -0.000 0.301) 1.529 4.794 ( 6.949 0.000 -3.683) 7.865 4.794 ( 6.949 0.000 3.683) 7.865 5.495 ( 0.652 0.000 -2.344) 2.433 5.495 ( 0.652 0.000 2.344) 2.433 ======================= Grid point 412 (122/129) ======================= q-point: (-0.58 0.33 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -9.998 -0.781 -6.337) 11.863 0.874 ( -9.998 -0.781 6.337) 11.863 1.010 ( -1.813 0.307 -2.736) 3.296 1.010 ( -1.813 0.307 2.736) 3.296 1.275 ( -4.463 -1.387 -2.582) 5.340 1.275 ( -4.463 -1.387 2.582) 5.340 1.472 ( -1.852 0.590 -3.411) 3.926 1.472 ( -1.852 0.590 3.411) 3.926 1.638 ( -0.078 0.889 -2.212) 2.385 1.638 ( -0.078 0.889 2.212) 2.385 1.782 ( -3.702 -0.836 -3.850) 5.406 1.782 ( -3.702 -0.836 3.850) 5.406 1.960 ( -11.194 0.532 -2.646) 11.515 1.960 ( -11.194 0.532 2.646) 11.515 2.139 ( 0.817 0.010 -16.017) 16.037 2.139 ( 0.817 0.010 16.017) 16.037 2.249 ( -5.201 0.423 -4.060) 6.612 2.249 ( -5.201 0.423 4.060) 6.612 3.017 ( -0.711 0.004 -3.622) 3.691 3.017 ( -0.711 0.004 3.622) 3.691 3.117 ( -1.633 0.135 -2.383) 2.892 3.117 ( -1.633 0.135 2.383) 2.892 3.492 ( 2.121 -0.027 -1.080) 2.380 3.492 ( 2.121 -0.027 1.080) 2.380 3.574 ( 0.439 -0.111 -0.751) 0.877 3.574 ( 0.439 -0.111 0.751) 0.877 3.765 ( -0.390 -0.073 -2.147) 2.184 3.765 ( -0.390 -0.073 2.147) 2.184 3.944 ( -1.331 -0.016 -0.290) 1.363 3.944 ( -1.331 -0.016 0.290) 1.363 4.428 ( -1.926 -0.421 -1.573) 2.522 4.428 ( -1.926 -0.421 1.573) 2.522 4.934 ( 7.317 0.102 -6.813) 9.998 4.934 ( 7.317 0.102 6.813) 9.998 5.520 ( 2.029 -0.189 -0.753) 2.173 5.520 ( 2.029 -0.189 0.753) 2.173 ======================= Grid point 414 (123/129) ======================= q-point: (-0.50 0.33 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -7.341 0.250 -4.321) 8.522 0.706 ( -7.341 0.250 4.321) 8.522 0.976 ( -1.431 2.017 -2.010) 3.187 0.976 ( -1.431 2.017 2.010) 3.187 1.182 ( -5.294 -4.152 -3.538) 7.602 1.182 ( -5.294 -4.152 3.538) 7.602 1.434 ( -3.410 1.618 -2.832) 4.718 1.434 ( -3.410 1.618 2.832) 4.718 1.590 ( -5.056 2.625 -5.252) 7.748 1.590 ( -5.056 2.625 5.252) 7.748 1.671 ( -6.499 -3.934 -2.119) 7.887 1.671 ( -6.499 -3.934 2.119) 7.887 1.789 ( -6.021 0.709 -4.326) 7.448 1.789 ( -6.021 0.709 4.326) 7.448 2.072 ( -5.412 0.631 -4.630) 7.150 2.072 ( -5.412 0.631 4.630) 7.150 2.243 ( 3.533 1.214 -16.615) 17.030 2.243 ( 3.533 1.214 16.615) 17.030 2.958 ( -5.002 0.358 -3.429) 6.075 2.958 ( -5.002 0.358 3.429) 6.075 3.104 ( -0.056 0.410 -2.297) 2.334 3.104 ( -0.056 0.410 2.297) 2.334 3.458 ( -7.003 -0.374 -1.361) 7.144 3.458 ( -7.003 -0.374 1.361) 7.144 3.585 ( 2.439 -0.025 -3.496) 4.262 3.585 ( 2.439 -0.025 3.496) 4.262 3.808 ( 3.081 0.010 -1.650) 3.495 3.808 ( 3.081 0.010 1.651) 3.495 3.931 ( 0.690 0.012 -0.126) 0.701 3.931 ( 0.690 0.012 0.126) 0.701 4.389 ( -2.622 -1.222 -1.726) 3.368 4.389 ( -2.622 -1.222 1.726) 3.368 5.057 ( 5.394 0.248 -8.390) 9.977 5.057 ( 5.394 0.248 8.390) 9.977 5.576 ( 3.631 -0.212 -0.507) 3.673 5.576 ( 3.631 -0.212 0.507) 3.673 ======================= Grid point 416 (124/129) ======================= q-point: (-0.42 0.33 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -1.405 3.341 -1.019) 3.765 0.610 ( -1.405 3.341 1.019) 3.765 0.907 ( -4.414 4.822 -4.923) 8.183 0.907 ( -4.414 4.822 4.923) 8.183 1.129 ( -3.417 -4.434 -3.700) 6.710 1.129 ( -3.417 -4.434 3.700) 6.710 1.320 ( -3.745 0.940 -3.149) 4.982 1.320 ( -3.745 0.940 3.149) 4.982 1.530 ( -2.866 -1.024 -9.706) 10.172 1.530 ( -2.866 -1.024 9.706) 10.172 1.566 ( -4.078 -2.779 -2.914) 5.731 1.566 ( -4.078 -2.779 2.914) 5.731 1.699 ( -3.793 0.142 -3.012) 4.846 1.699 ( -3.793 0.142 3.012) 4.846 1.998 ( -1.592 1.519 -4.677) 5.169 1.998 ( -1.592 1.519 4.677) 5.169 2.313 ( 3.979 2.095 -16.629) 17.226 2.313 ( 3.979 2.095 16.629) 17.226 2.850 ( -5.168 0.347 -2.311) 5.672 2.850 ( -5.168 0.347 2.311) 5.672 3.085 ( -2.258 0.518 -1.920) 3.009 3.085 ( -2.258 0.518 1.920) 3.009 3.320 ( -5.704 -0.647 -1.008) 5.828 3.320 ( -5.704 -0.647 1.008) 5.828 3.630 ( 1.877 0.353 -3.045) 3.594 3.630 ( 1.877 0.353 3.045) 3.594 3.827 ( -0.431 0.180 -0.189) 0.504 3.827 ( -0.431 0.180 0.189) 0.504 3.979 ( 3.023 -0.019 -1.838) 3.538 3.979 ( 3.023 -0.019 1.838) 3.538 4.347 ( -2.296 -2.183 -2.111) 3.806 4.347 ( -2.296 -2.183 2.111) 3.806 5.132 ( 2.540 0.388 -8.360) 8.746 5.132 ( 2.540 0.388 8.360) 8.746 5.648 ( 3.286 -0.050 -0.394) 3.310 5.648 ( 3.286 -0.050 0.394) 3.310 ======================= Grid point 418 (125/129) ======================= q-point: (-0.33 0.33 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.000 6.165 -1.630) 6.377 0.591 ( 0.000 6.165 1.630) 6.377 0.812 ( 0.000 4.898 -8.987) 10.235 0.812 ( 0.000 4.898 8.987) 10.235 1.094 ( 0.000 0.285 -5.059) 5.067 1.094 ( 0.000 0.285 5.059) 5.067 1.318 ( -0.000 -3.358 -2.635) 4.269 1.318 ( -0.000 -3.358 2.635) 4.269 1.477 ( -0.000 -3.705 -9.161) 9.882 1.477 ( -0.000 -3.705 9.161) 9.882 1.567 ( -0.000 -1.040 -6.322) 6.407 1.567 ( -0.000 -1.040 6.322) 6.407 1.653 ( -0.000 -0.239 -2.914) 2.924 1.653 ( -0.000 -0.239 2.914) 2.924 1.979 ( 0.000 2.028 -4.751) 5.166 1.979 ( 0.000 2.028 4.751) 5.166 2.347 ( 0.000 2.635 -16.115) 16.329 2.347 ( 0.000 2.635 16.115) 16.329 2.793 ( 0.000 0.141 -1.455) 1.462 2.793 ( 0.000 0.141 1.455) 1.462 3.045 ( 0.000 0.165 -0.104) 0.195 3.045 ( 0.000 0.165 0.104) 0.195 3.271 ( -0.000 -0.135 -1.271) 1.278 3.271 ( -0.000 -0.135 1.271) 1.278 3.646 ( 0.000 0.567 -2.781) 2.839 3.646 ( 0.000 0.567 2.781) 2.839 3.819 ( 0.000 0.090 -0.859) 0.863 3.819 ( 0.000 0.090 0.859) 0.863 4.010 ( 0.000 0.121 -2.051) 2.054 4.010 ( 0.000 0.121 2.051) 2.054 4.336 ( -0.000 -2.955 -3.764) 4.786 4.336 ( -0.000 -2.955 3.764) 4.786 5.153 ( 0.000 0.514 -8.136) 8.152 5.153 ( 0.000 0.514 8.136) 8.152 5.682 ( -0.000 -0.023 -0.758) 0.758 5.682 ( -0.000 -0.023 0.758) 0.758 ======================= Grid point 436 (126/129) ======================= q-point: (-0.58 0.42 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -6.739 -0.000 -4.072) 7.874 0.707 ( -6.739 -0.000 4.072) 7.874 0.987 ( -0.585 -0.000 -0.635) 0.863 0.987 ( -0.585 -0.000 0.635) 0.863 1.160 ( -6.044 -0.000 -3.913) 7.200 1.160 ( -6.044 -0.000 3.913) 7.200 1.442 ( -2.989 -0.000 -2.377) 3.819 1.442 ( -2.989 -0.000 2.377) 3.819 1.612 ( -5.053 -0.000 -5.028) 7.128 1.612 ( -5.053 -0.000 5.028) 7.128 1.642 ( -7.185 -0.000 -1.784) 7.403 1.642 ( -7.185 -0.000 1.784) 7.403 1.792 ( -6.152 -0.000 -4.548) 7.650 1.792 ( -6.152 -0.000 4.548) 7.650 2.075 ( -5.218 -0.000 -4.811) 7.097 2.075 ( -5.218 -0.000 4.811) 7.097 2.249 ( 3.602 0.000 -16.570) 16.956 2.249 ( 3.602 0.000 16.570) 16.956 2.959 ( -4.973 -0.000 -3.525) 6.096 2.959 ( -4.973 -0.000 3.525) 6.096 3.106 ( -0.013 -0.000 -2.255) 2.255 3.106 ( -0.013 -0.000 2.255) 2.255 3.456 ( -7.150 -0.000 -1.292) 7.265 3.456 ( -7.150 -0.000 1.292) 7.265 3.585 ( 2.554 0.000 -3.520) 4.349 3.585 ( 2.554 0.000 3.520) 4.349 3.808 ( 3.152 0.000 -1.694) 3.578 3.808 ( 3.152 0.000 1.694) 3.578 3.931 ( 0.665 0.000 -0.096) 0.672 3.931 ( 0.665 0.000 0.096) 0.672 4.382 ( -2.722 -0.000 -1.234) 2.988 4.382 ( -2.722 -0.000 1.234) 2.988 5.059 ( 5.401 0.000 -8.418) 10.002 5.059 ( 5.401 0.000 8.418) 10.002 5.575 ( 3.690 0.000 -0.519) 3.726 5.575 ( 3.690 0.000 0.519) 3.726 ======================= Grid point 440 (127/129) ======================= q-point: (-0.50 0.42 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -0.447 1.285 -0.261) 1.385 0.634 ( -0.447 1.285 0.261) 1.385 0.947 ( -4.603 2.596 -5.598) 7.698 0.947 ( -4.603 2.596 5.598) 7.698 1.090 ( -0.970 -2.680 -4.093) 4.987 1.090 ( -0.970 -2.680 4.093) 4.987 1.331 ( -5.726 0.733 -1.578) 5.984 1.331 ( -5.726 0.733 1.578) 5.984 1.518 ( -6.484 -0.956 -4.267) 7.821 1.518 ( -6.484 -0.956 4.267) 7.821 1.550 ( -0.542 -0.607 -6.208) 6.261 1.550 ( -0.542 -0.607 6.208) 6.261 1.700 ( -4.054 0.045 -3.483) 5.345 1.700 ( -4.054 0.045 3.483) 5.345 2.008 ( -1.558 0.495 -4.992) 5.252 2.008 ( -1.558 0.495 4.992) 5.252 2.328 ( 4.067 0.765 -16.570) 17.079 2.328 ( 4.067 0.765 16.570) 17.079 2.852 ( -5.297 0.128 -2.402) 5.818 2.852 ( -5.297 0.128 2.402) 5.818 3.088 ( -2.435 0.192 -1.882) 3.084 3.088 ( -2.435 0.192 1.882) 3.084 3.316 ( -5.478 -0.239 -0.750) 5.534 3.316 ( -5.478 -0.239 0.750) 5.534 3.633 ( 1.953 0.128 -3.155) 3.712 3.633 ( 1.953 0.128 3.155) 3.712 3.829 ( -0.470 0.064 -0.155) 0.499 3.829 ( -0.470 0.064 0.155) 0.499 3.978 ( 3.052 -0.026 -2.063) 3.684 3.978 ( 3.052 -0.026 2.063) 3.684 4.332 ( -2.371 -0.758 -1.521) 2.918 4.332 ( -2.371 -0.758 1.521) 2.918 5.134 ( 2.548 0.135 -8.287) 8.671 5.134 ( 2.548 0.135 8.287) 8.671 5.648 ( 3.364 0.004 -0.357) 3.383 5.648 ( 3.364 0.004 0.357) 3.383 ======================= Grid point 442 (128/129) ======================= q-point: (-0.42 0.42 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.000 3.515 -2.561) 4.349 0.641 ( 0.000 3.515 2.561) 4.349 0.853 ( 0.000 3.114 -8.026) 8.609 0.853 ( 0.000 3.114 8.026) 8.609 1.096 ( 0.000 0.186 -4.711) 4.715 1.096 ( 0.000 0.186 4.711) 4.715 1.289 ( -0.000 -2.255 -2.107) 3.086 1.289 ( -0.000 -2.255 2.107) 3.086 1.446 ( -0.000 -2.297 -6.975) 7.343 1.446 ( -0.000 -2.297 6.975) 7.343 1.561 ( -0.000 -0.397 -7.721) 7.731 1.561 ( -0.000 -0.397 7.721) 7.731 1.651 ( -0.000 -0.143 -3.349) 3.352 1.651 ( -0.000 -0.143 3.349) 3.352 1.993 ( 0.000 0.993 -5.064) 5.160 1.993 ( 0.000 0.993 5.064) 5.160 2.368 ( 0.000 1.539 -15.924) 15.998 2.368 ( 0.000 1.539 15.924) 15.998 2.794 ( 0.000 0.081 -1.464) 1.467 2.794 ( 0.000 0.081 1.464) 1.467 3.046 ( 0.000 0.095 -0.088) 0.129 3.046 ( 0.000 0.095 0.088) 0.129 3.270 ( -0.000 -0.065 -1.071) 1.073 3.270 ( -0.000 -0.065 1.071) 1.073 3.651 ( 0.000 0.313 -2.937) 2.954 3.651 ( 0.000 0.313 2.937) 2.954 3.820 ( 0.000 0.052 -0.856) 0.857 3.820 ( 0.000 0.052 0.856) 0.857 4.011 ( 0.000 0.016 -2.474) 2.474 4.011 ( 0.000 0.016 2.474) 2.474 4.313 ( -0.000 -1.548 -3.515) 3.841 4.313 ( -0.000 -1.548 3.515) 3.841 5.157 ( 0.000 0.276 -7.956) 7.961 5.157 ( 0.000 0.276 7.956) 7.961 5.683 ( 0.000 0.066 -0.345) 0.351 5.683 ( 0.000 0.066 0.345) 0.351 ======================= Grid point 466 (129/129) ======================= q-point: ( 0.50 -0.50 -0.50) 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.000 0.000 -3.231) 3.231 0.658 ( 0.000 0.000 3.231) 3.231 0.870 ( 0.000 0.000 -7.681) 7.681 0.870 ( 0.000 0.000 7.681) 7.681 1.097 ( 0.000 0.000 -4.576) 4.576 1.097 ( 0.000 0.000 4.576) 4.576 1.277 ( -0.000 -0.000 -1.886) 1.886 1.277 ( -0.000 -0.000 1.886) 1.886 1.434 ( 0.000 0.000 -5.890) 5.890 1.434 ( 0.000 0.000 5.890) 5.890 1.559 ( 0.000 0.000 -8.262) 8.262 1.559 ( 0.000 0.000 8.262) 8.262 1.650 ( 0.000 0.000 -3.499) 3.499 1.650 ( 0.000 0.000 3.499) 3.499 1.998 ( 0.000 0.000 -5.143) 5.143 1.998 ( 0.000 0.000 5.143) 5.143 2.376 ( 0.000 0.000 -15.865) 15.865 2.376 ( 0.000 0.000 15.865) 15.865 2.794 ( 0.000 0.000 -1.467) 1.467 2.794 ( 0.000 0.000 1.467) 1.467 3.047 ( 0.000 0.000 -0.082) 0.082 3.047 ( 0.000 0.000 0.082) 0.082 3.270 ( 0.000 0.000 -1.004) 1.004 3.270 ( 0.000 0.000 1.004) 1.004 3.652 ( 0.000 0.000 -2.992) 2.992 3.652 ( 0.000 0.000 2.992) 2.992 3.820 ( 0.000 0.000 -0.855) 0.855 3.820 ( 0.000 0.000 0.855) 0.855 4.011 ( 0.000 0.000 -2.647) 2.647 4.011 ( 0.000 0.000 2.647) 2.647 4.305 ( 0.000 0.000 -3.424) 3.424 4.305 ( 0.000 0.000 3.424) 3.424 5.158 ( 0.000 0.000 -7.887) 7.887 5.158 ( 0.000 0.000 7.887) 7.887 5.683 ( 0.000 0.000 -0.076) 0.076 5.683 ( 0.000 0.000 0.076) 0.076 =================== 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 3/20736 10.0 21.804 17.039 11.455 0.000 0.000 0.000 3/20736 20.0 8.460 3.750 4.547 0.000 0.000 0.000 3/20736 30.0 5.359 1.998 3.533 0.000 0.000 0.000 3/20736 40.0 3.980 1.373 2.883 0.000 0.000 0.000 3/20736 50.0 3.192 1.053 2.409 0.000 0.000 0.000 3/20736 60.0 2.677 0.858 2.063 0.000 0.000 0.000 3/20736 70.0 2.311 0.727 1.803 0.000 0.000 0.000 3/20736 80.0 2.036 0.631 1.601 0.000 0.000 0.000 3/20736 90.0 1.821 0.559 1.440 0.000 0.000 0.000 3/20736 100.0 1.648 0.501 1.308 0.000 0.000 0.000 3/20736 110.0 1.505 0.455 1.198 0.000 0.000 0.000 3/20736 120.0 1.385 0.416 1.105 0.000 0.000 0.000 3/20736 130.0 1.282 0.384 1.026 0.000 0.000 0.000 3/20736 140.0 1.194 0.356 0.957 0.000 0.000 0.000 3/20736 150.0 1.118 0.333 0.896 0.000 0.000 0.000 3/20736 160.0 1.050 0.312 0.843 0.000 0.000 0.000 3/20736 170.0 0.990 0.293 0.796 0.000 0.000 0.000 3/20736 180.0 0.937 0.277 0.754 0.000 0.000 0.000 3/20736 190.0 0.889 0.262 0.716 0.000 0.000 0.000 3/20736 200.0 0.846 0.249 0.681 0.000 0.000 0.000 3/20736 210.0 0.806 0.237 0.650 0.000 0.000 0.000 3/20736 220.0 0.771 0.227 0.621 0.000 0.000 0.000 3/20736 230.0 0.738 0.217 0.595 0.000 0.000 0.000 3/20736 240.0 0.708 0.208 0.571 0.000 0.000 0.000 3/20736 250.0 0.680 0.199 0.549 0.000 0.000 0.000 3/20736 260.0 0.654 0.192 0.528 0.000 0.000 0.000 3/20736 270.0 0.631 0.185 0.509 0.000 0.000 0.000 3/20736 280.0 0.608 0.178 0.492 0.000 0.000 0.000 3/20736 290.0 0.588 0.172 0.475 0.000 0.000 0.000 3/20736 300.0 0.569 0.166 0.460 0.000 0.000 0.000 3/20736 310.0 0.550 0.161 0.445 0.000 0.000 0.000 3/20736 320.0 0.534 0.156 0.432 0.000 0.000 0.000 3/20736 330.0 0.518 0.151 0.419 0.000 0.000 0.000 3/20736 340.0 0.503 0.147 0.407 0.000 0.000 0.000 3/20736 350.0 0.488 0.143 0.395 0.000 0.000 0.000 3/20736 360.0 0.475 0.139 0.384 0.000 0.000 0.000 3/20736 370.0 0.462 0.135 0.374 0.000 0.000 0.000 3/20736 380.0 0.450 0.131 0.365 0.000 0.000 0.000 3/20736 390.0 0.439 0.128 0.355 0.000 0.000 0.000 3/20736 400.0 0.428 0.125 0.347 0.000 0.000 0.000 3/20736 410.0 0.418 0.122 0.338 0.000 0.000 0.000 3/20736 420.0 0.408 0.119 0.330 0.000 0.000 0.000 3/20736 430.0 0.399 0.116 0.323 0.000 0.000 0.000 3/20736 440.0 0.390 0.113 0.316 0.000 0.000 0.000 3/20736 450.0 0.381 0.111 0.309 0.000 0.000 0.000 3/20736 460.0 0.373 0.108 0.302 0.000 0.000 0.000 3/20736 470.0 0.365 0.106 0.296 0.000 0.000 0.000 3/20736 480.0 0.357 0.104 0.290 0.000 0.000 0.000 3/20736 490.0 0.350 0.102 0.284 0.000 0.000 0.000 3/20736 500.0 0.343 0.100 0.278 0.000 0.000 0.000 3/20736 510.0 0.337 0.098 0.273 0.000 0.000 0.000 3/20736 520.0 0.330 0.096 0.268 0.000 0.000 0.000 3/20736 530.0 0.324 0.094 0.263 0.000 0.000 0.000 3/20736 540.0 0.318 0.092 0.258 0.000 0.000 0.000 3/20736 550.0 0.312 0.091 0.253 0.000 0.000 0.000 3/20736 560.0 0.307 0.089 0.249 0.000 0.000 0.000 3/20736 570.0 0.301 0.088 0.244 0.000 0.000 0.000 3/20736 580.0 0.296 0.086 0.240 0.000 0.000 0.000 3/20736 590.0 0.291 0.085 0.236 0.000 0.000 0.000 3/20736 600.0 0.286 0.083 0.232 0.000 0.000 0.000 3/20736 610.0 0.282 0.082 0.228 0.000 0.000 0.000 3/20736 620.0 0.277 0.081 0.225 0.000 0.000 0.000 3/20736 630.0 0.273 0.079 0.221 0.000 0.000 0.000 3/20736 640.0 0.269 0.078 0.218 0.000 0.000 0.000 3/20736 650.0 0.265 0.077 0.215 0.000 0.000 0.000 3/20736 660.0 0.261 0.076 0.211 0.000 0.000 0.000 3/20736 670.0 0.257 0.075 0.208 0.000 0.000 0.000 3/20736 680.0 0.253 0.073 0.205 0.000 0.000 0.000 3/20736 690.0 0.249 0.072 0.202 0.000 0.000 0.000 3/20736 700.0 0.246 0.071 0.199 0.000 0.000 0.000 3/20736 710.0 0.242 0.070 0.197 0.000 0.000 0.000 3/20736 720.0 0.239 0.069 0.194 0.000 0.000 0.000 3/20736 730.0 0.236 0.068 0.191 0.000 0.000 0.000 3/20736 740.0 0.233 0.067 0.189 0.000 0.000 0.000 3/20736 750.0 0.230 0.067 0.186 0.000 0.000 0.000 3/20736 760.0 0.226 0.066 0.184 0.000 0.000 0.000 3/20736 770.0 0.224 0.065 0.181 0.000 0.000 0.000 3/20736 780.0 0.221 0.064 0.179 0.000 0.000 0.000 3/20736 790.0 0.218 0.063 0.177 0.000 0.000 0.000 3/20736 800.0 0.215 0.062 0.175 0.000 0.000 0.000 3/20736 810.0 0.213 0.062 0.172 0.000 0.000 0.000 3/20736 820.0 0.210 0.061 0.170 0.000 0.000 0.000 3/20736 830.0 0.207 0.060 0.168 0.000 0.000 0.000 3/20736 840.0 0.205 0.059 0.166 0.000 0.000 0.000 3/20736 850.0 0.203 0.059 0.164 0.000 0.000 0.000 3/20736 860.0 0.200 0.058 0.163 0.000 0.000 0.000 3/20736 870.0 0.198 0.057 0.161 0.000 0.000 0.000 3/20736 880.0 0.196 0.057 0.159 0.000 0.000 0.000 3/20736 890.0 0.194 0.056 0.157 0.000 0.000 0.000 3/20736 900.0 0.191 0.055 0.155 0.000 0.000 0.000 3/20736 910.0 0.189 0.055 0.154 0.000 0.000 0.000 3/20736 920.0 0.187 0.054 0.152 0.000 0.000 0.000 3/20736 930.0 0.185 0.054 0.150 0.000 0.000 0.000 3/20736 940.0 0.183 0.053 0.149 0.000 0.000 0.000 3/20736 950.0 0.181 0.053 0.147 0.000 0.000 0.000 3/20736 960.0 0.180 0.052 0.146 0.000 0.000 0.000 3/20736 970.0 0.178 0.051 0.144 0.000 0.000 0.000 3/20736 980.0 0.176 0.051 0.143 0.000 0.000 0.000 3/20736 990.0 0.174 0.050 0.141 0.000 0.000 0.000 3/20736 1000.0 0.172 0.050 0.140 0.000 0.000 0.000 3/20736 Thermal conductivity related properties were written into "kappa-m12124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:58:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|