----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:17:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.136159030000000 -7.911364504999999 0.000000000000000 b 2.136159030000000 7.911364504999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.051811480000000 Atomic positions (fractional): *1 Se 0.06494987284354 0.93505012715646 0.25000000000000 78.960 2 Se 0.93505012715646 0.06494987284354 0.75000000000000 78.960 *3 Se 0.62325900470580 0.37674099529420 0.54522672758205 78.960 4 Se 0.62325900470580 0.37674099529420 0.95477327241795 78.960 5 Se 0.37674099529420 0.62325900470580 0.04522672758205 78.960 6 Se 0.37674099529420 0.62325900470580 0.45477327241795 78.960 *7 Cs 0.74639699284515 0.25360300715486 0.25000000000000 132.905 8 Cs 0.25360300715486 0.74639699284515 0.75000000000000 132.905 *9 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 10 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 *11 Hg 0.54186303398486 0.45813696601514 0.75000000000000 200.590 12 Hg 0.45813696601514 0.54186303398486 0.25000000000000 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.272318060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.822729009999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.051811480000000 Atomic positions (fractional): *1 Se 0.50000000000000 0.43505012715646 0.25000000000000 78.960 > 1 2 Se 0.00000000000000 0.06494987284354 0.75000000000000 78.960 > 2 *3 Se 0.00000000000000 0.37674099529420 0.54522672758205 78.960 > 3 4 Se 0.00000000000000 0.37674099529420 0.95477327241795 78.960 > 4 5 Se 0.50000000000000 0.12325900470580 0.04522672758205 78.960 > 5 6 Se 0.50000000000000 0.12325900470580 0.45477327241795 78.960 > 6 7 Se 0.00000000000000 0.93505012715646 0.25000000000000 78.960 > 1 8 Se 0.50000000000000 0.56494987284354 0.75000000000000 78.960 > 2 9 Se 0.50000000000000 0.87674099529420 0.54522672758205 78.960 > 3 10 Se 0.50000000000000 0.87674099529420 0.95477327241795 78.960 > 4 11 Se 0.00000000000000 0.62325900470580 0.04522672758205 78.960 > 5 12 Se 0.00000000000000 0.62325900470580 0.45477327241795 78.960 > 6 *13 Cs 0.00000000000000 0.25360300715486 0.25000000000000 132.905 > 7 14 Cs 0.50000000000000 0.24639699284514 0.75000000000000 132.905 > 8 15 Cs 0.50000000000000 0.75360300715485 0.25000000000000 132.905 > 7 16 Cs 0.00000000000000 0.74639699284515 0.75000000000000 132.905 > 8 *17 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 9 18 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 10 19 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 9 20 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 10 *21 Hg 0.00000000000000 0.45813696601514 0.75000000000000 200.590 > 11 22 Hg 0.50000000000000 0.04186303398486 0.25000000000000 200.590 > 12 23 Hg 0.50000000000000 0.95813696601514 0.75000000000000 200.590 > 11 24 Hg 0.00000000000000 0.54186303398486 0.25000000000000 200.590 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.816954180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.822729009999998 0.000000000000000 c 0.000000000000000 0.000000000000000 22.103622959999999 Atomic positions (fractional): *1 Se 0.16666666666667 0.43505012715646 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.43505012715646 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.43505012715646 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.43505012715646 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.43505012715646 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.43505012715646 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.06494987284354 0.37500000000000 78.960 > 2 8 Se 0.33333333333333 0.06494987284354 0.37500000000000 78.960 > 2 9 Se 0.66666666666667 0.06494987284354 0.37500000000000 78.960 > 2 10 Se 0.00000000000000 0.06494987284354 0.87500000000000 78.960 > 2 11 Se 0.33333333333333 0.06494987284354 0.87500000000000 78.960 > 2 12 Se 0.66666666666667 0.06494987284354 0.87500000000000 78.960 > 2 *13 Se 0.00000000000000 0.37674099529420 0.27261336379102 78.960 > 3 14 Se 0.33333333333333 0.37674099529420 0.27261336379102 78.960 > 3 15 Se 0.66666666666667 0.37674099529420 0.27261336379102 78.960 > 3 16 Se 0.00000000000000 0.37674099529420 0.77261336379102 78.960 > 3 17 Se 0.33333333333333 0.37674099529420 0.77261336379102 78.960 > 3 18 Se 0.66666666666667 0.37674099529420 0.77261336379102 78.960 > 3 19 Se 0.00000000000000 0.37674099529420 0.47738663620898 78.960 > 4 20 Se 0.33333333333333 0.37674099529420 0.47738663620898 78.960 > 4 21 Se 0.66666666666667 0.37674099529420 0.47738663620898 78.960 > 4 22 Se 0.00000000000000 0.37674099529420 0.97738663620898 78.960 > 4 23 Se 0.33333333333333 0.37674099529420 0.97738663620898 78.960 > 4 24 Se 0.66666666666667 0.37674099529420 0.97738663620898 78.960 > 4 25 Se 0.16666666666667 0.12325900470580 0.02261336379102 78.960 > 5 26 Se 0.50000000000000 0.12325900470580 0.02261336379102 78.960 > 5 27 Se 0.83333333333333 0.12325900470580 0.02261336379102 78.960 > 5 28 Se 0.16666666666667 0.12325900470580 0.52261336379102 78.960 > 5 29 Se 0.50000000000000 0.12325900470580 0.52261336379102 78.960 > 5 30 Se 0.83333333333333 0.12325900470580 0.52261336379102 78.960 > 5 31 Se 0.16666666666667 0.12325900470580 0.22738663620898 78.960 > 6 32 Se 0.50000000000000 0.12325900470580 0.22738663620898 78.960 > 6 33 Se 0.83333333333333 0.12325900470580 0.22738663620898 78.960 > 6 34 Se 0.16666666666667 0.12325900470580 0.72738663620898 78.960 > 6 35 Se 0.50000000000000 0.12325900470580 0.72738663620898 78.960 > 6 36 Se 0.83333333333333 0.12325900470580 0.72738663620898 78.960 > 6 37 Se 0.00000000000000 0.93505012715646 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.93505012715646 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.93505012715646 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.93505012715646 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.93505012715646 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.93505012715646 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.56494987284354 0.37500000000000 78.960 > 2 44 Se 0.50000000000000 0.56494987284354 0.37500000000000 78.960 > 2 45 Se 0.83333333333333 0.56494987284354 0.37500000000000 78.960 > 2 46 Se 0.16666666666667 0.56494987284354 0.87500000000000 78.960 > 2 47 Se 0.50000000000000 0.56494987284354 0.87500000000000 78.960 > 2 48 Se 0.83333333333333 0.56494987284354 0.87500000000000 78.960 > 2 49 Se 0.16666666666667 0.87674099529420 0.27261336379102 78.960 > 3 50 Se 0.50000000000000 0.87674099529420 0.27261336379102 78.960 > 3 51 Se 0.83333333333333 0.87674099529420 0.27261336379102 78.960 > 3 52 Se 0.16666666666667 0.87674099529420 0.77261336379102 78.960 > 3 53 Se 0.50000000000000 0.87674099529420 0.77261336379102 78.960 > 3 54 Se 0.83333333333333 0.87674099529420 0.77261336379102 78.960 > 3 55 Se 0.16666666666667 0.87674099529420 0.47738663620898 78.960 > 4 56 Se 0.50000000000000 0.87674099529420 0.47738663620898 78.960 > 4 57 Se 0.83333333333333 0.87674099529420 0.47738663620898 78.960 > 4 58 Se 0.16666666666667 0.87674099529420 0.97738663620898 78.960 > 4 59 Se 0.50000000000000 0.87674099529420 0.97738663620898 78.960 > 4 60 Se 0.83333333333333 0.87674099529420 0.97738663620898 78.960 > 4 61 Se 0.00000000000000 0.62325900470580 0.02261336379102 78.960 > 5 62 Se 0.33333333333333 0.62325900470580 0.02261336379102 78.960 > 5 63 Se 0.66666666666667 0.62325900470580 0.02261336379102 78.960 > 5 64 Se 0.00000000000000 0.62325900470580 0.52261336379102 78.960 > 5 65 Se 0.33333333333333 0.62325900470580 0.52261336379102 78.960 > 5 66 Se 0.66666666666667 0.62325900470580 0.52261336379102 78.960 > 5 67 Se 0.00000000000000 0.62325900470580 0.22738663620898 78.960 > 6 68 Se 0.33333333333333 0.62325900470580 0.22738663620898 78.960 > 6 69 Se 0.66666666666667 0.62325900470580 0.22738663620898 78.960 > 6 70 Se 0.00000000000000 0.62325900470580 0.72738663620898 78.960 > 6 71 Se 0.33333333333333 0.62325900470580 0.72738663620898 78.960 > 6 72 Se 0.66666666666667 0.62325900470580 0.72738663620898 78.960 > 6 *73 Cs 0.00000000000000 0.25360300715486 0.12500000000000 132.905 > 7 74 Cs 0.33333333333333 0.25360300715486 0.12500000000000 132.905 > 7 75 Cs 0.66666666666667 0.25360300715486 0.12500000000000 132.905 > 7 76 Cs 0.00000000000000 0.25360300715486 0.62500000000000 132.905 > 7 77 Cs 0.33333333333333 0.25360300715486 0.62500000000000 132.905 > 7 78 Cs 0.66666666666667 0.25360300715486 0.62500000000000 132.905 > 7 79 Cs 0.16666666666667 0.24639699284514 0.37500000000000 132.905 > 8 80 Cs 0.50000000000000 0.24639699284514 0.37500000000000 132.905 > 8 81 Cs 0.83333333333333 0.24639699284514 0.37500000000000 132.905 > 8 82 Cs 0.16666666666667 0.24639699284514 0.87500000000000 132.905 > 8 83 Cs 0.50000000000000 0.24639699284514 0.87500000000000 132.905 > 8 84 Cs 0.83333333333333 0.24639699284514 0.87500000000000 132.905 > 8 85 Cs 0.16666666666667 0.75360300715485 0.12500000000000 132.905 > 7 86 Cs 0.50000000000000 0.75360300715485 0.12500000000000 132.905 > 7 87 Cs 0.83333333333333 0.75360300715485 0.12500000000000 132.905 > 7 88 Cs 0.16666666666667 0.75360300715485 0.62500000000000 132.905 > 7 89 Cs 0.50000000000000 0.75360300715485 0.62500000000000 132.905 > 7 90 Cs 0.83333333333333 0.75360300715485 0.62500000000000 132.905 > 7 91 Cs 0.00000000000000 0.74639699284515 0.37500000000000 132.905 > 8 92 Cs 0.33333333333333 0.74639699284515 0.37500000000000 132.905 > 8 93 Cs 0.66666666666667 0.74639699284515 0.37500000000000 132.905 > 8 94 Cs 0.00000000000000 0.74639699284515 0.87500000000000 132.905 > 8 95 Cs 0.33333333333333 0.74639699284515 0.87500000000000 132.905 > 8 96 Cs 0.66666666666667 0.74639699284515 0.87500000000000 132.905 > 8 *97 Sm 0.00000000000000 0.00000000000000 0.25000000000000 150.360 > 9 98 Sm 0.33333333333333 0.00000000000000 0.25000000000000 150.360 > 9 99 Sm 0.66666666666667 0.00000000000000 0.25000000000000 150.360 > 9 100 Sm 0.00000000000000 0.00000000000000 0.75000000000000 150.360 > 9 101 Sm 0.33333333333333 0.00000000000000 0.75000000000000 150.360 > 9 102 Sm 0.66666666666667 0.00000000000000 0.75000000000000 150.360 > 9 103 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 10 104 Sm 0.33333333333333 0.00000000000000 0.00000000000000 150.360 > 10 105 Sm 0.66666666666667 0.00000000000000 0.00000000000000 150.360 > 10 106 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 10 107 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 10 108 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 10 109 Sm 0.16666666666667 0.50000000000000 0.25000000000000 150.360 > 9 110 Sm 0.50000000000000 0.50000000000000 0.25000000000000 150.360 > 9 111 Sm 0.83333333333333 0.50000000000000 0.25000000000000 150.360 > 9 112 Sm 0.16666666666667 0.50000000000000 0.75000000000000 150.360 > 9 113 Sm 0.50000000000000 0.50000000000000 0.75000000000000 150.360 > 9 114 Sm 0.83333333333333 0.50000000000000 0.75000000000000 150.360 > 9 115 Sm 0.16666666666667 0.50000000000000 0.00000000000000 150.360 > 10 116 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 10 117 Sm 0.83333333333333 0.50000000000000 0.00000000000000 150.360 > 10 118 Sm 0.16666666666667 0.50000000000000 0.50000000000000 150.360 > 10 119 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 10 120 Sm 0.83333333333333 0.50000000000000 0.50000000000000 150.360 > 10 *121 Hg 0.00000000000000 0.45813696601514 0.37500000000000 200.590 > 11 122 Hg 0.33333333333333 0.45813696601514 0.37500000000000 200.590 > 11 123 Hg 0.66666666666667 0.45813696601514 0.37500000000000 200.590 > 11 124 Hg 0.00000000000000 0.45813696601514 0.87500000000000 200.590 > 11 125 Hg 0.33333333333333 0.45813696601514 0.87500000000000 200.590 > 11 126 Hg 0.66666666666667 0.45813696601514 0.87500000000000 200.590 > 11 127 Hg 0.16666666666667 0.04186303398486 0.12500000000000 200.590 > 12 128 Hg 0.50000000000000 0.04186303398486 0.12500000000000 200.590 > 12 129 Hg 0.83333333333333 0.04186303398486 0.12500000000000 200.590 > 12 130 Hg 0.16666666666667 0.04186303398486 0.62500000000000 200.590 > 12 131 Hg 0.50000000000000 0.04186303398486 0.62500000000000 200.590 > 12 132 Hg 0.83333333333333 0.04186303398486 0.62500000000000 200.590 > 12 133 Hg 0.16666666666667 0.95813696601514 0.37500000000000 200.590 > 11 134 Hg 0.50000000000000 0.95813696601514 0.37500000000000 200.590 > 11 135 Hg 0.83333333333333 0.95813696601514 0.37500000000000 200.590 > 11 136 Hg 0.16666666666667 0.95813696601514 0.87500000000000 200.590 > 11 137 Hg 0.50000000000000 0.95813696601514 0.87500000000000 200.590 > 11 138 Hg 0.83333333333333 0.95813696601514 0.87500000000000 200.590 > 11 139 Hg 0.00000000000000 0.54186303398486 0.12500000000000 200.590 > 12 140 Hg 0.33333333333333 0.54186303398486 0.12500000000000 200.590 > 12 141 Hg 0.66666666666667 0.54186303398486 0.12500000000000 200.590 > 12 142 Hg 0.00000000000000 0.54186303398486 0.62500000000000 200.590 > 12 143 Hg 0.33333333333333 0.54186303398486 0.62500000000000 200.590 > 12 144 Hg 0.66666666666667 0.54186303398486 0.62500000000000 200.590 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9642087 0.0000000 0.0000000 0.0000000 4.9520750 0.0000000 0.0000000 0.0000000 7.9555029 -------------------------- Born effective charges -------------------------- 1 Se -2.7332175 0.0000000 0.0000000 0.0000000 -1.2665531 0.0000000 0.0000000 0.0000000 -3.5784199 2 Se -2.7332175 0.0000000 0.0000000 0.0000000 -1.2665531 0.0000000 0.0000000 0.0000000 -3.5784199 3 Se -2.8375064 0.0000000 0.0000000 0.0000000 -1.6378143 0.0078278 0.0000000 0.1123562 -2.3678756 4 Se -2.8375064 0.0000000 0.0000000 0.0000000 -1.6378143 -0.0078278 0.0000000 -0.1123562 -2.3678756 5 Se -2.8375064 0.0000000 0.0000000 0.0000000 -1.6378143 -0.0078278 0.0000000 -0.1123562 -2.3678756 6 Se -2.8375064 0.0000000 0.0000000 0.0000000 -1.6378143 0.0078278 0.0000000 0.1123562 -2.3678756 7 Cs 1.1901193 0.0000000 0.0000000 0.0000000 1.9828682 0.0000000 0.0000000 0.0000000 1.3599124 8 Cs 1.1901193 0.0000000 0.0000000 0.0000000 1.9828682 0.0000000 0.0000000 0.0000000 1.3599124 9 Sm 4.9928440 0.0000000 0.0000000 0.0000000 1.6184269 -0.4161711 0.0000000 -0.6870024 4.9431248 10 Sm 4.9928440 0.0000000 0.0000000 0.0000000 1.6184269 0.4161711 0.0000000 0.6870024 4.9431248 11 Hg 2.2252671 0.0000000 0.0000000 0.0000000 0.9408865 0.0000000 0.0000000 0.0000000 2.0111339 12 Hg 2.2252671 0.0000000 0.0000000 0.0000000 0.9408865 0.0000000 0.0000000 0.0000000 2.0111339 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.705 Solver_block: 200 / 240 - Time: 1.751 Solver_block: 240 / 240 - Time: 0.772 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.326 --------------------------------- 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:17:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:17:42]------------------------- 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 2.136159030000000 -7.911364504999999 0.000000000000000 b 2.136159030000000 7.911364504999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.051811480000000 Atomic positions (fractional): 1 Se 0.06494987284354 0.93505012715646 0.25000000000000 78.960 2 Se 0.93505012715646 0.06494987284354 0.75000000000000 78.960 3 Se 0.62325900470580 0.37674099529420 0.54522672758205 78.960 4 Se 0.62325900470580 0.37674099529420 0.95477327241795 78.960 5 Se 0.37674099529420 0.62325900470580 0.04522672758205 78.960 6 Se 0.37674099529420 0.62325900470580 0.45477327241795 78.960 7 Cs 0.74639699284515 0.25360300715486 0.25000000000000 132.905 8 Cs 0.25360300715486 0.74639699284515 0.75000000000000 132.905 9 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 10 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 11 Hg 0.54186303398486 0.45813696601514 0.75000000000000 200.590 12 Hg 0.45813696601514 0.54186303398486 0.25000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.816954180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.822729009999998 0.000000000000000 c 0.000000000000000 0.000000000000000 22.103622959999999 Atomic positions (fractional): 1 Se 0.16666666666667 0.43505012715646 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.43505012715646 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.43505012715646 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.43505012715646 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.43505012715646 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.43505012715646 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.06494987284354 0.37500000000000 78.960 > 7 8 Se 0.33333333333333 0.06494987284354 0.37500000000000 78.960 > 7 9 Se 0.66666666666667 0.06494987284354 0.37500000000000 78.960 > 7 10 Se 0.00000000000000 0.06494987284354 0.87500000000000 78.960 > 7 11 Se 0.33333333333333 0.06494987284354 0.87500000000000 78.960 > 7 12 Se 0.66666666666667 0.06494987284354 0.87500000000000 78.960 > 7 13 Se 0.00000000000000 0.37674099529420 0.27261336379102 78.960 > 13 14 Se 0.33333333333333 0.37674099529420 0.27261336379102 78.960 > 13 15 Se 0.66666666666667 0.37674099529420 0.27261336379102 78.960 > 13 16 Se 0.00000000000000 0.37674099529420 0.77261336379102 78.960 > 13 17 Se 0.33333333333333 0.37674099529420 0.77261336379102 78.960 > 13 18 Se 0.66666666666667 0.37674099529420 0.77261336379102 78.960 > 13 19 Se 0.00000000000000 0.37674099529420 0.47738663620898 78.960 > 19 20 Se 0.33333333333333 0.37674099529420 0.47738663620898 78.960 > 19 21 Se 0.66666666666667 0.37674099529420 0.47738663620898 78.960 > 19 22 Se 0.00000000000000 0.37674099529420 0.97738663620898 78.960 > 19 23 Se 0.33333333333333 0.37674099529420 0.97738663620898 78.960 > 19 24 Se 0.66666666666667 0.37674099529420 0.97738663620898 78.960 > 19 25 Se 0.16666666666667 0.12325900470580 0.02261336379102 78.960 > 25 26 Se 0.50000000000000 0.12325900470580 0.02261336379102 78.960 > 25 27 Se 0.83333333333333 0.12325900470580 0.02261336379102 78.960 > 25 28 Se 0.16666666666667 0.12325900470580 0.52261336379102 78.960 > 25 29 Se 0.50000000000000 0.12325900470580 0.52261336379102 78.960 > 25 30 Se 0.83333333333333 0.12325900470580 0.52261336379102 78.960 > 25 31 Se 0.16666666666667 0.12325900470580 0.22738663620898 78.960 > 31 32 Se 0.50000000000000 0.12325900470580 0.22738663620898 78.960 > 31 33 Se 0.83333333333333 0.12325900470580 0.22738663620898 78.960 > 31 34 Se 0.16666666666667 0.12325900470580 0.72738663620898 78.960 > 31 35 Se 0.50000000000000 0.12325900470580 0.72738663620898 78.960 > 31 36 Se 0.83333333333333 0.12325900470580 0.72738663620898 78.960 > 31 37 Se 0.00000000000000 0.93505012715646 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.93505012715646 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.93505012715646 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.93505012715646 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.93505012715646 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.93505012715646 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.56494987284354 0.37500000000000 78.960 > 7 44 Se 0.50000000000000 0.56494987284354 0.37500000000000 78.960 > 7 45 Se 0.83333333333333 0.56494987284354 0.37500000000000 78.960 > 7 46 Se 0.16666666666667 0.56494987284354 0.87500000000000 78.960 > 7 47 Se 0.50000000000000 0.56494987284354 0.87500000000000 78.960 > 7 48 Se 0.83333333333333 0.56494987284354 0.87500000000000 78.960 > 7 49 Se 0.16666666666667 0.87674099529420 0.27261336379102 78.960 > 13 50 Se 0.50000000000000 0.87674099529420 0.27261336379102 78.960 > 13 51 Se 0.83333333333333 0.87674099529420 0.27261336379102 78.960 > 13 52 Se 0.16666666666667 0.87674099529420 0.77261336379102 78.960 > 13 53 Se 0.50000000000000 0.87674099529420 0.77261336379102 78.960 > 13 54 Se 0.83333333333333 0.87674099529420 0.77261336379102 78.960 > 13 55 Se 0.16666666666667 0.87674099529420 0.47738663620898 78.960 > 19 56 Se 0.50000000000000 0.87674099529420 0.47738663620898 78.960 > 19 57 Se 0.83333333333333 0.87674099529420 0.47738663620898 78.960 > 19 58 Se 0.16666666666667 0.87674099529420 0.97738663620898 78.960 > 19 59 Se 0.50000000000000 0.87674099529420 0.97738663620898 78.960 > 19 60 Se 0.83333333333333 0.87674099529420 0.97738663620898 78.960 > 19 61 Se 0.00000000000000 0.62325900470580 0.02261336379102 78.960 > 25 62 Se 0.33333333333333 0.62325900470580 0.02261336379102 78.960 > 25 63 Se 0.66666666666667 0.62325900470580 0.02261336379102 78.960 > 25 64 Se 0.00000000000000 0.62325900470580 0.52261336379102 78.960 > 25 65 Se 0.33333333333333 0.62325900470580 0.52261336379102 78.960 > 25 66 Se 0.66666666666667 0.62325900470580 0.52261336379102 78.960 > 25 67 Se 0.00000000000000 0.62325900470580 0.22738663620898 78.960 > 31 68 Se 0.33333333333333 0.62325900470580 0.22738663620898 78.960 > 31 69 Se 0.66666666666667 0.62325900470580 0.22738663620898 78.960 > 31 70 Se 0.00000000000000 0.62325900470580 0.72738663620898 78.960 > 31 71 Se 0.33333333333333 0.62325900470580 0.72738663620898 78.960 > 31 72 Se 0.66666666666667 0.62325900470580 0.72738663620898 78.960 > 31 73 Cs 0.00000000000000 0.25360300715486 0.12500000000000 132.905 > 73 74 Cs 0.33333333333333 0.25360300715486 0.12500000000000 132.905 > 73 75 Cs 0.66666666666667 0.25360300715486 0.12500000000000 132.905 > 73 76 Cs 0.00000000000000 0.25360300715486 0.62500000000000 132.905 > 73 77 Cs 0.33333333333333 0.25360300715486 0.62500000000000 132.905 > 73 78 Cs 0.66666666666667 0.25360300715486 0.62500000000000 132.905 > 73 79 Cs 0.16666666666667 0.24639699284514 0.37500000000000 132.905 > 79 80 Cs 0.50000000000000 0.24639699284514 0.37500000000000 132.905 > 79 81 Cs 0.83333333333333 0.24639699284514 0.37500000000000 132.905 > 79 82 Cs 0.16666666666667 0.24639699284514 0.87500000000000 132.905 > 79 83 Cs 0.50000000000000 0.24639699284514 0.87500000000000 132.905 > 79 84 Cs 0.83333333333333 0.24639699284514 0.87500000000000 132.905 > 79 85 Cs 0.16666666666667 0.75360300715485 0.12500000000000 132.905 > 73 86 Cs 0.50000000000000 0.75360300715485 0.12500000000000 132.905 > 73 87 Cs 0.83333333333333 0.75360300715485 0.12500000000000 132.905 > 73 88 Cs 0.16666666666667 0.75360300715485 0.62500000000000 132.905 > 73 89 Cs 0.50000000000000 0.75360300715485 0.62500000000000 132.905 > 73 90 Cs 0.83333333333333 0.75360300715485 0.62500000000000 132.905 > 73 91 Cs 0.00000000000000 0.74639699284515 0.37500000000000 132.905 > 79 92 Cs 0.33333333333333 0.74639699284515 0.37500000000000 132.905 > 79 93 Cs 0.66666666666667 0.74639699284515 0.37500000000000 132.905 > 79 94 Cs 0.00000000000000 0.74639699284515 0.87500000000000 132.905 > 79 95 Cs 0.33333333333333 0.74639699284515 0.87500000000000 132.905 > 79 96 Cs 0.66666666666667 0.74639699284515 0.87500000000000 132.905 > 79 97 Sm 0.00000000000000 0.00000000000000 0.25000000000000 150.360 > 97 98 Sm 0.33333333333333 0.00000000000000 0.25000000000000 150.360 > 97 99 Sm 0.66666666666667 0.00000000000000 0.25000000000000 150.360 > 97 100 Sm 0.00000000000000 0.00000000000000 0.75000000000000 150.360 > 97 101 Sm 0.33333333333333 0.00000000000000 0.75000000000000 150.360 > 97 102 Sm 0.66666666666667 0.00000000000000 0.75000000000000 150.360 > 97 103 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 103 104 Sm 0.33333333333333 0.00000000000000 0.00000000000000 150.360 > 103 105 Sm 0.66666666666667 0.00000000000000 0.00000000000000 150.360 > 103 106 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 103 107 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 103 108 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 103 109 Sm 0.16666666666667 0.50000000000000 0.25000000000000 150.360 > 97 110 Sm 0.50000000000000 0.50000000000000 0.25000000000000 150.360 > 97 111 Sm 0.83333333333333 0.50000000000000 0.25000000000000 150.360 > 97 112 Sm 0.16666666666667 0.50000000000000 0.75000000000000 150.360 > 97 113 Sm 0.50000000000000 0.50000000000000 0.75000000000000 150.360 > 97 114 Sm 0.83333333333333 0.50000000000000 0.75000000000000 150.360 > 97 115 Sm 0.16666666666667 0.50000000000000 0.00000000000000 150.360 > 103 116 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 103 117 Sm 0.83333333333333 0.50000000000000 0.00000000000000 150.360 > 103 118 Sm 0.16666666666667 0.50000000000000 0.50000000000000 150.360 > 103 119 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 103 120 Sm 0.83333333333333 0.50000000000000 0.50000000000000 150.360 > 103 121 Hg 0.00000000000000 0.45813696601514 0.37500000000000 200.590 > 121 122 Hg 0.33333333333333 0.45813696601514 0.37500000000000 200.590 > 121 123 Hg 0.66666666666667 0.45813696601514 0.37500000000000 200.590 > 121 124 Hg 0.00000000000000 0.45813696601514 0.87500000000000 200.590 > 121 125 Hg 0.33333333333333 0.45813696601514 0.87500000000000 200.590 > 121 126 Hg 0.66666666666667 0.45813696601514 0.87500000000000 200.590 > 121 127 Hg 0.16666666666667 0.04186303398486 0.12500000000000 200.590 > 127 128 Hg 0.50000000000000 0.04186303398486 0.12500000000000 200.590 > 127 129 Hg 0.83333333333333 0.04186303398486 0.12500000000000 200.590 > 127 130 Hg 0.16666666666667 0.04186303398486 0.62500000000000 200.590 > 127 131 Hg 0.50000000000000 0.04186303398486 0.62500000000000 200.590 > 127 132 Hg 0.83333333333333 0.04186303398486 0.62500000000000 200.590 > 127 133 Hg 0.16666666666667 0.95813696601514 0.37500000000000 200.590 > 121 134 Hg 0.50000000000000 0.95813696601514 0.37500000000000 200.590 > 121 135 Hg 0.83333333333333 0.95813696601514 0.37500000000000 200.590 > 121 136 Hg 0.16666666666667 0.95813696601514 0.87500000000000 200.590 > 121 137 Hg 0.50000000000000 0.95813696601514 0.87500000000000 200.590 > 121 138 Hg 0.83333333333333 0.95813696601514 0.87500000000000 200.590 > 121 139 Hg 0.00000000000000 0.54186303398486 0.12500000000000 200.590 > 127 140 Hg 0.33333333333333 0.54186303398486 0.12500000000000 200.590 > 127 141 Hg 0.66666666666667 0.54186303398486 0.12500000000000 200.590 > 127 142 Hg 0.00000000000000 0.54186303398486 0.62500000000000 200.590 > 127 143 Hg 0.33333333333333 0.54186303398486 0.62500000000000 200.590 > 127 144 Hg 0.66666666666667 0.54186303398486 0.62500000000000 200.590 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9642087 0.0000000 0.0000000 0.0000000 4.9520750 0.0000000 0.0000000 0.0000000 7.9555029 -------------------------- Born effective charges -------------------------- 1 Se -2.7332175 0.0000000 0.0000000 0.0000000 -1.2665531 0.0000000 0.0000000 0.0000000 -3.5784199 2 Se -2.7332175 0.0000000 0.0000000 0.0000000 -1.2665531 0.0000000 0.0000000 0.0000000 -3.5784199 3 Se -2.8375064 0.0000000 0.0000000 0.0000000 -1.6378143 0.0078278 0.0000000 0.1123562 -2.3678756 4 Se -2.8375064 0.0000000 0.0000000 0.0000000 -1.6378143 -0.0078278 0.0000000 -0.1123562 -2.3678756 5 Se -2.8375064 0.0000000 0.0000000 0.0000000 -1.6378143 -0.0078278 0.0000000 -0.1123562 -2.3678756 6 Se -2.8375064 0.0000000 0.0000000 0.0000000 -1.6378143 0.0078278 0.0000000 0.1123562 -2.3678756 7 Cs 1.1901193 0.0000000 0.0000000 0.0000000 1.9828682 0.0000000 0.0000000 0.0000000 1.3599124 8 Cs 1.1901193 0.0000000 0.0000000 0.0000000 1.9828682 0.0000000 0.0000000 0.0000000 1.3599124 9 Sm 4.9928440 0.0000000 0.0000000 0.0000000 1.6184269 -0.4161711 0.0000000 -0.6870024 4.9431248 10 Sm 4.9928440 0.0000000 0.0000000 0.0000000 1.6184269 0.4161711 0.0000000 0.6870024 4.9431248 11 Hg 2.2252671 0.0000000 0.0000000 0.0000000 0.9408865 0.0000000 0.0000000 0.0000000 2.0111339 12 Hg 2.2252671 0.0000000 0.0000000 0.0000000 0.9408865 0.0000000 0.0000000 0.0000000 2.0111339 ---------------------------------------------------------------------------- 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[ 13, 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:18:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:18:03]------------------------- 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 2.136159030000000 -7.911364504999999 0.000000000000000 b 2.136159030000000 7.911364504999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.051811480000000 Atomic positions (fractional): 1 Se 0.06494987284354 0.93505012715646 0.25000000000000 78.960 2 Se 0.93505012715646 0.06494987284354 0.75000000000000 78.960 3 Se 0.62325900470580 0.37674099529420 0.54522672758205 78.960 4 Se 0.62325900470580 0.37674099529420 0.95477327241795 78.960 5 Se 0.37674099529420 0.62325900470580 0.04522672758205 78.960 6 Se 0.37674099529420 0.62325900470580 0.45477327241795 78.960 7 Cs 0.74639699284515 0.25360300715486 0.25000000000000 132.905 8 Cs 0.25360300715486 0.74639699284515 0.75000000000000 132.905 9 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 10 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 11 Hg 0.54186303398486 0.45813696601514 0.75000000000000 200.590 12 Hg 0.45813696601514 0.54186303398486 0.25000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.816954180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.822729009999998 0.000000000000000 c 0.000000000000000 0.000000000000000 22.103622959999999 Atomic positions (fractional): 1 Se 0.16666666666667 0.43505012715646 0.12500000000000 78.960 > 1 2 Se 0.50000000000000 0.43505012715646 0.12500000000000 78.960 > 1 3 Se 0.83333333333333 0.43505012715646 0.12500000000000 78.960 > 1 4 Se 0.16666666666667 0.43505012715646 0.62500000000000 78.960 > 1 5 Se 0.50000000000000 0.43505012715646 0.62500000000000 78.960 > 1 6 Se 0.83333333333333 0.43505012715646 0.62500000000000 78.960 > 1 7 Se 0.00000000000000 0.06494987284354 0.37500000000000 78.960 > 7 8 Se 0.33333333333333 0.06494987284354 0.37500000000000 78.960 > 7 9 Se 0.66666666666667 0.06494987284354 0.37500000000000 78.960 > 7 10 Se 0.00000000000000 0.06494987284354 0.87500000000000 78.960 > 7 11 Se 0.33333333333333 0.06494987284354 0.87500000000000 78.960 > 7 12 Se 0.66666666666667 0.06494987284354 0.87500000000000 78.960 > 7 13 Se 0.00000000000000 0.37674099529420 0.27261336379102 78.960 > 13 14 Se 0.33333333333333 0.37674099529420 0.27261336379102 78.960 > 13 15 Se 0.66666666666667 0.37674099529420 0.27261336379102 78.960 > 13 16 Se 0.00000000000000 0.37674099529420 0.77261336379102 78.960 > 13 17 Se 0.33333333333333 0.37674099529420 0.77261336379102 78.960 > 13 18 Se 0.66666666666667 0.37674099529420 0.77261336379102 78.960 > 13 19 Se 0.00000000000000 0.37674099529420 0.47738663620898 78.960 > 19 20 Se 0.33333333333333 0.37674099529420 0.47738663620898 78.960 > 19 21 Se 0.66666666666667 0.37674099529420 0.47738663620898 78.960 > 19 22 Se 0.00000000000000 0.37674099529420 0.97738663620898 78.960 > 19 23 Se 0.33333333333333 0.37674099529420 0.97738663620898 78.960 > 19 24 Se 0.66666666666667 0.37674099529420 0.97738663620898 78.960 > 19 25 Se 0.16666666666667 0.12325900470580 0.02261336379102 78.960 > 25 26 Se 0.50000000000000 0.12325900470580 0.02261336379102 78.960 > 25 27 Se 0.83333333333333 0.12325900470580 0.02261336379102 78.960 > 25 28 Se 0.16666666666667 0.12325900470580 0.52261336379102 78.960 > 25 29 Se 0.50000000000000 0.12325900470580 0.52261336379102 78.960 > 25 30 Se 0.83333333333333 0.12325900470580 0.52261336379102 78.960 > 25 31 Se 0.16666666666667 0.12325900470580 0.22738663620898 78.960 > 31 32 Se 0.50000000000000 0.12325900470580 0.22738663620898 78.960 > 31 33 Se 0.83333333333333 0.12325900470580 0.22738663620898 78.960 > 31 34 Se 0.16666666666667 0.12325900470580 0.72738663620898 78.960 > 31 35 Se 0.50000000000000 0.12325900470580 0.72738663620898 78.960 > 31 36 Se 0.83333333333333 0.12325900470580 0.72738663620898 78.960 > 31 37 Se 0.00000000000000 0.93505012715646 0.12500000000000 78.960 > 1 38 Se 0.33333333333333 0.93505012715646 0.12500000000000 78.960 > 1 39 Se 0.66666666666667 0.93505012715646 0.12500000000000 78.960 > 1 40 Se 0.00000000000000 0.93505012715646 0.62500000000000 78.960 > 1 41 Se 0.33333333333333 0.93505012715646 0.62500000000000 78.960 > 1 42 Se 0.66666666666667 0.93505012715646 0.62500000000000 78.960 > 1 43 Se 0.16666666666667 0.56494987284354 0.37500000000000 78.960 > 7 44 Se 0.50000000000000 0.56494987284354 0.37500000000000 78.960 > 7 45 Se 0.83333333333333 0.56494987284354 0.37500000000000 78.960 > 7 46 Se 0.16666666666667 0.56494987284354 0.87500000000000 78.960 > 7 47 Se 0.50000000000000 0.56494987284354 0.87500000000000 78.960 > 7 48 Se 0.83333333333333 0.56494987284354 0.87500000000000 78.960 > 7 49 Se 0.16666666666667 0.87674099529420 0.27261336379102 78.960 > 13 50 Se 0.50000000000000 0.87674099529420 0.27261336379102 78.960 > 13 51 Se 0.83333333333333 0.87674099529420 0.27261336379102 78.960 > 13 52 Se 0.16666666666667 0.87674099529420 0.77261336379102 78.960 > 13 53 Se 0.50000000000000 0.87674099529420 0.77261336379102 78.960 > 13 54 Se 0.83333333333333 0.87674099529420 0.77261336379102 78.960 > 13 55 Se 0.16666666666667 0.87674099529420 0.47738663620898 78.960 > 19 56 Se 0.50000000000000 0.87674099529420 0.47738663620898 78.960 > 19 57 Se 0.83333333333333 0.87674099529420 0.47738663620898 78.960 > 19 58 Se 0.16666666666667 0.87674099529420 0.97738663620898 78.960 > 19 59 Se 0.50000000000000 0.87674099529420 0.97738663620898 78.960 > 19 60 Se 0.83333333333333 0.87674099529420 0.97738663620898 78.960 > 19 61 Se 0.00000000000000 0.62325900470580 0.02261336379102 78.960 > 25 62 Se 0.33333333333333 0.62325900470580 0.02261336379102 78.960 > 25 63 Se 0.66666666666667 0.62325900470580 0.02261336379102 78.960 > 25 64 Se 0.00000000000000 0.62325900470580 0.52261336379102 78.960 > 25 65 Se 0.33333333333333 0.62325900470580 0.52261336379102 78.960 > 25 66 Se 0.66666666666667 0.62325900470580 0.52261336379102 78.960 > 25 67 Se 0.00000000000000 0.62325900470580 0.22738663620898 78.960 > 31 68 Se 0.33333333333333 0.62325900470580 0.22738663620898 78.960 > 31 69 Se 0.66666666666667 0.62325900470580 0.22738663620898 78.960 > 31 70 Se 0.00000000000000 0.62325900470580 0.72738663620898 78.960 > 31 71 Se 0.33333333333333 0.62325900470580 0.72738663620898 78.960 > 31 72 Se 0.66666666666667 0.62325900470580 0.72738663620898 78.960 > 31 73 Cs 0.00000000000000 0.25360300715486 0.12500000000000 132.905 > 73 74 Cs 0.33333333333333 0.25360300715486 0.12500000000000 132.905 > 73 75 Cs 0.66666666666667 0.25360300715486 0.12500000000000 132.905 > 73 76 Cs 0.00000000000000 0.25360300715486 0.62500000000000 132.905 > 73 77 Cs 0.33333333333333 0.25360300715486 0.62500000000000 132.905 > 73 78 Cs 0.66666666666667 0.25360300715486 0.62500000000000 132.905 > 73 79 Cs 0.16666666666667 0.24639699284514 0.37500000000000 132.905 > 79 80 Cs 0.50000000000000 0.24639699284514 0.37500000000000 132.905 > 79 81 Cs 0.83333333333333 0.24639699284514 0.37500000000000 132.905 > 79 82 Cs 0.16666666666667 0.24639699284514 0.87500000000000 132.905 > 79 83 Cs 0.50000000000000 0.24639699284514 0.87500000000000 132.905 > 79 84 Cs 0.83333333333333 0.24639699284514 0.87500000000000 132.905 > 79 85 Cs 0.16666666666667 0.75360300715485 0.12500000000000 132.905 > 73 86 Cs 0.50000000000000 0.75360300715485 0.12500000000000 132.905 > 73 87 Cs 0.83333333333333 0.75360300715485 0.12500000000000 132.905 > 73 88 Cs 0.16666666666667 0.75360300715485 0.62500000000000 132.905 > 73 89 Cs 0.50000000000000 0.75360300715485 0.62500000000000 132.905 > 73 90 Cs 0.83333333333333 0.75360300715485 0.62500000000000 132.905 > 73 91 Cs 0.00000000000000 0.74639699284515 0.37500000000000 132.905 > 79 92 Cs 0.33333333333333 0.74639699284515 0.37500000000000 132.905 > 79 93 Cs 0.66666666666667 0.74639699284515 0.37500000000000 132.905 > 79 94 Cs 0.00000000000000 0.74639699284515 0.87500000000000 132.905 > 79 95 Cs 0.33333333333333 0.74639699284515 0.87500000000000 132.905 > 79 96 Cs 0.66666666666667 0.74639699284515 0.87500000000000 132.905 > 79 97 Sm 0.00000000000000 0.00000000000000 0.25000000000000 150.360 > 97 98 Sm 0.33333333333333 0.00000000000000 0.25000000000000 150.360 > 97 99 Sm 0.66666666666667 0.00000000000000 0.25000000000000 150.360 > 97 100 Sm 0.00000000000000 0.00000000000000 0.75000000000000 150.360 > 97 101 Sm 0.33333333333333 0.00000000000000 0.75000000000000 150.360 > 97 102 Sm 0.66666666666667 0.00000000000000 0.75000000000000 150.360 > 97 103 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 103 104 Sm 0.33333333333333 0.00000000000000 0.00000000000000 150.360 > 103 105 Sm 0.66666666666667 0.00000000000000 0.00000000000000 150.360 > 103 106 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 103 107 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 103 108 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 103 109 Sm 0.16666666666667 0.50000000000000 0.25000000000000 150.360 > 97 110 Sm 0.50000000000000 0.50000000000000 0.25000000000000 150.360 > 97 111 Sm 0.83333333333333 0.50000000000000 0.25000000000000 150.360 > 97 112 Sm 0.16666666666667 0.50000000000000 0.75000000000000 150.360 > 97 113 Sm 0.50000000000000 0.50000000000000 0.75000000000000 150.360 > 97 114 Sm 0.83333333333333 0.50000000000000 0.75000000000000 150.360 > 97 115 Sm 0.16666666666667 0.50000000000000 0.00000000000000 150.360 > 103 116 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 103 117 Sm 0.83333333333333 0.50000000000000 0.00000000000000 150.360 > 103 118 Sm 0.16666666666667 0.50000000000000 0.50000000000000 150.360 > 103 119 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 > 103 120 Sm 0.83333333333333 0.50000000000000 0.50000000000000 150.360 > 103 121 Hg 0.00000000000000 0.45813696601514 0.37500000000000 200.590 > 121 122 Hg 0.33333333333333 0.45813696601514 0.37500000000000 200.590 > 121 123 Hg 0.66666666666667 0.45813696601514 0.37500000000000 200.590 > 121 124 Hg 0.00000000000000 0.45813696601514 0.87500000000000 200.590 > 121 125 Hg 0.33333333333333 0.45813696601514 0.87500000000000 200.590 > 121 126 Hg 0.66666666666667 0.45813696601514 0.87500000000000 200.590 > 121 127 Hg 0.16666666666667 0.04186303398486 0.12500000000000 200.590 > 127 128 Hg 0.50000000000000 0.04186303398486 0.12500000000000 200.590 > 127 129 Hg 0.83333333333333 0.04186303398486 0.12500000000000 200.590 > 127 130 Hg 0.16666666666667 0.04186303398486 0.62500000000000 200.590 > 127 131 Hg 0.50000000000000 0.04186303398486 0.62500000000000 200.590 > 127 132 Hg 0.83333333333333 0.04186303398486 0.62500000000000 200.590 > 127 133 Hg 0.16666666666667 0.95813696601514 0.37500000000000 200.590 > 121 134 Hg 0.50000000000000 0.95813696601514 0.37500000000000 200.590 > 121 135 Hg 0.83333333333333 0.95813696601514 0.37500000000000 200.590 > 121 136 Hg 0.16666666666667 0.95813696601514 0.87500000000000 200.590 > 121 137 Hg 0.50000000000000 0.95813696601514 0.87500000000000 200.590 > 121 138 Hg 0.83333333333333 0.95813696601514 0.87500000000000 200.590 > 121 139 Hg 0.00000000000000 0.54186303398486 0.12500000000000 200.590 > 127 140 Hg 0.33333333333333 0.54186303398486 0.12500000000000 200.590 > 127 141 Hg 0.66666666666667 0.54186303398486 0.12500000000000 200.590 > 127 142 Hg 0.00000000000000 0.54186303398486 0.62500000000000 200.590 > 127 143 Hg 0.33333333333333 0.54186303398486 0.62500000000000 200.590 > 127 144 Hg 0.66666666666667 0.54186303398486 0.62500000000000 200.590 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.9642087 0.0000000 0.0000000 0.0000000 4.9520750 0.0000000 0.0000000 0.0000000 7.9555029 -------------------------- Born effective charges -------------------------- 1 Se -2.7332175 0.0000000 0.0000000 0.0000000 -1.2665531 0.0000000 0.0000000 0.0000000 -3.5784199 2 Se -2.7332175 0.0000000 0.0000000 0.0000000 -1.2665531 0.0000000 0.0000000 0.0000000 -3.5784199 3 Se -2.8375064 0.0000000 0.0000000 0.0000000 -1.6378143 0.0078278 0.0000000 0.1123562 -2.3678756 4 Se -2.8375064 0.0000000 0.0000000 0.0000000 -1.6378143 -0.0078278 0.0000000 -0.1123562 -2.3678756 5 Se -2.8375064 0.0000000 0.0000000 0.0000000 -1.6378143 -0.0078278 0.0000000 -0.1123562 -2.3678756 6 Se -2.8375064 0.0000000 0.0000000 0.0000000 -1.6378143 0.0078278 0.0000000 0.1123562 -2.3678756 7 Cs 1.1901193 0.0000000 0.0000000 0.0000000 1.9828682 0.0000000 0.0000000 0.0000000 1.3599124 8 Cs 1.1901193 0.0000000 0.0000000 0.0000000 1.9828682 0.0000000 0.0000000 0.0000000 1.3599124 9 Sm 4.9928440 0.0000000 0.0000000 0.0000000 1.6184269 -0.4161711 0.0000000 -0.6870024 4.9431248 10 Sm 4.9928440 0.0000000 0.0000000 0.0000000 1.6184269 0.4161711 0.0000000 0.6870024 4.9431248 11 Hg 2.2252671 0.0000000 0.0000000 0.0000000 0.9408865 0.0000000 0.0000000 0.0000000 2.0111339 12 Hg 2.2252671 0.0000000 0.0000000 0.0000000 0.9408865 0.0000000 0.0000000 0.0000000 2.0111339 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (yyy) -0.00000005 (yyy) -0.00000005 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, 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: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 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 0.890 ( 0.000 0.000 0.000) 0.000 0.999 ( 0.000 0.000 0.000) 0.000 1.029 ( 0.000 0.000 0.000) 0.000 1.267 ( 0.000 0.000 0.000) 0.000 1.315 ( 0.000 0.000 0.000) 0.000 1.318 ( 0.000 0.000 0.000) 0.000 1.433 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.494 ( 0.000 0.000 0.000) 0.000 1.538 ( 0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.096 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.692 ( 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: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 15.278 1.266 0.000) 15.330 0.323 ( 15.823 -1.396 0.000) 15.884 0.557 ( 24.697 -6.416 0.000) 25.517 0.932 ( 4.038 0.270 0.000) 4.047 1.027 ( 3.232 0.552 0.000) 3.278 1.086 ( 4.962 -1.921 0.000) 5.321 1.214 ( -2.504 1.493 0.000) 2.915 1.414 ( 6.079 1.488 0.000) 6.259 1.430 ( 1.050 0.052 0.000) 1.051 1.439 ( 8.569 0.425 0.000) 8.580 1.488 ( 2.633 0.012 0.000) 2.633 1.539 ( 0.069 -0.208 0.000) 0.219 1.551 ( 5.751 0.331 0.000) 5.760 1.725 ( 3.111 -0.270 0.000) 3.123 1.875 ( -1.645 1.027 0.000) 1.940 1.991 ( -3.225 -1.880 0.000) 3.733 2.090 ( -0.644 0.014 0.000) 0.644 2.982 ( -1.815 -0.282 0.000) 1.837 3.404 ( 8.441 -0.046 0.000) 8.441 3.449 ( 0.146 -0.025 0.000) 0.148 3.469 ( 4.743 -0.031 0.000) 4.743 3.540 ( 0.942 0.199 0.000) 0.963 3.784 ( -1.677 0.013 0.000) 1.677 4.002 ( 1.131 0.931 0.000) 1.465 4.098 ( 0.302 0.981 0.000) 1.026 4.106 ( 1.371 -0.437 0.000) 1.439 4.231 ( -2.633 -0.161 0.000) 2.638 4.351 ( 2.104 0.132 0.000) 2.109 4.538 ( -3.391 2.981 0.000) 4.515 4.740 ( 0.026 2.311 0.000) 2.311 4.806 ( -0.226 0.261 0.000) 0.345 5.083 ( 4.477 19.906 0.000) 20.403 5.226 ( -0.422 1.693 0.000) 1.745 5.527 ( -6.765 -12.266 0.000) 14.008 5.594 ( 0.460 1.081 0.000) 1.175 5.675 ( -2.010 -1.179 0.000) 2.330 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 14.533 3.177 0.000) 14.876 0.622 ( 13.608 -1.751 0.000) 13.720 0.952 ( 10.592 -3.332 0.000) 11.104 1.028 ( 5.692 0.894 0.000) 5.761 1.154 ( 10.691 0.906 0.000) 10.730 1.161 ( -1.814 2.331 0.000) 2.953 1.209 ( 5.909 -2.944 0.000) 6.601 1.445 ( 2.368 2.129 0.000) 3.185 1.523 ( -0.101 0.334 0.000) 0.349 1.531 ( 5.383 1.169 0.000) 5.509 1.552 ( 0.699 -1.312 0.000) 1.487 1.559 ( 4.805 -0.384 0.000) 4.820 1.720 ( 6.670 -0.453 0.000) 6.686 1.869 ( 5.822 1.067 0.000) 5.919 1.913 ( 15.909 0.562 0.000) 15.919 1.927 ( -3.672 -1.743 0.000) 4.065 2.071 ( -1.232 -0.128 0.000) 1.238 2.950 ( -1.513 -0.517 0.000) 1.599 3.437 ( -1.612 -0.037 0.000) 1.613 3.573 ( 2.560 0.148 0.000) 2.564 3.577 ( 5.632 -0.302 0.000) 5.640 3.599 ( 10.175 -0.093 0.000) 10.176 3.741 ( -2.311 0.000 0.000) 2.311 3.995 ( -1.297 0.178 0.000) 1.310 4.098 ( -2.237 0.895 0.000) 2.409 4.130 ( 1.749 -0.105 0.000) 1.752 4.163 ( -4.122 -0.246 0.000) 4.129 4.414 ( 3.768 0.776 0.000) 3.848 4.453 ( -2.403 -0.320 0.000) 2.425 4.728 ( -0.501 0.219 0.000) 0.546 4.802 ( 0.010 0.330 0.000) 0.330 5.052 ( -0.172 8.641 0.000) 8.642 5.208 ( 0.231 3.982 0.000) 3.989 5.438 ( -6.803 -5.547 0.000) 8.777 5.595 ( -0.074 1.905 0.000) 1.906 5.637 ( -2.042 -1.922 0.000) 2.804 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 12.208 4.897 0.000) 13.154 0.848 ( 7.890 -1.400 0.000) 8.013 1.073 ( 3.446 0.933 0.000) 3.570 1.115 ( -0.290 1.858 0.000) 1.880 1.153 ( 6.509 0.845 0.000) 6.564 1.257 ( 1.186 1.382 0.000) 1.821 1.368 ( 6.682 3.703 0.000) 7.640 1.486 ( 3.056 2.808 0.000) 4.150 1.502 ( -1.517 -0.376 0.000) 1.563 1.560 ( -0.195 -0.816 0.000) 0.839 1.645 ( 5.767 -1.064 0.000) 5.865 1.684 ( 6.389 -2.547 0.000) 6.878 1.751 ( 1.225 -2.874 0.000) 3.124 1.864 ( -3.552 -4.013 0.000) 5.360 2.038 ( -2.199 -0.215 0.000) 2.210 2.149 ( 17.219 -0.577 0.000) 17.229 2.262 ( 18.484 0.501 0.000) 18.491 2.930 ( -0.886 -0.478 0.000) 1.006 3.387 ( -3.362 -0.119 0.000) 3.365 3.628 ( 2.791 -0.004 0.000) 2.791 3.672 ( 3.443 -0.316 0.000) 3.457 3.676 ( -1.798 -0.168 0.000) 1.806 3.798 ( 7.449 0.005 0.000) 7.449 3.960 ( -7.184 0.289 0.000) 7.190 3.984 ( -2.057 -0.488 0.000) 2.114 4.086 ( -3.599 -0.182 0.000) 3.603 4.177 ( 2.810 0.383 0.000) 2.836 4.426 ( 0.949 0.272 0.000) 0.987 4.524 ( 5.069 -0.385 0.000) 5.084 4.721 ( -0.144 0.088 0.000) 0.169 4.803 ( 0.187 0.212 0.000) 0.283 4.985 ( -3.057 4.025 0.000) 5.055 5.194 ( 0.453 4.404 0.000) 4.428 5.334 ( -5.691 -2.634 0.000) 6.271 5.555 ( -2.819 -0.246 0.000) 2.830 5.637 ( 1.050 0.407 0.000) 1.126 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 2.086 0.191 0.000) 2.095 0.988 ( 7.429 5.558 0.000) 9.278 1.084 ( -1.895 0.115 0.000) 1.898 1.088 ( -0.563 3.663 0.000) 3.706 1.233 ( -0.814 4.522 0.000) 4.595 1.314 ( 8.804 0.409 0.000) 8.814 1.429 ( 3.429 5.979 0.000) 6.892 1.477 ( -1.342 -1.227 0.000) 1.819 1.542 ( 3.792 0.999 0.000) 3.921 1.560 ( 0.347 0.115 0.000) 0.365 1.695 ( -0.442 -3.789 0.000) 3.814 1.806 ( 4.421 -2.794 0.000) 5.230 1.822 ( -2.796 -5.071 0.000) 5.791 1.875 ( 6.254 -3.785 0.000) 7.310 1.981 ( -3.920 -0.406 0.000) 3.941 2.465 ( 13.625 -1.055 0.000) 13.666 2.587 ( 14.094 0.269 0.000) 14.096 2.914 ( -1.002 -0.108 0.000) 1.008 3.318 ( -3.530 -0.174 0.000) 3.535 3.659 ( 0.726 -0.101 0.000) 0.733 3.673 ( 1.669 -0.069 0.000) 1.670 3.675 ( -4.422 -0.307 0.000) 4.433 3.827 ( -2.468 -0.125 0.000) 2.471 3.910 ( 3.754 -0.021 0.000) 3.754 4.019 ( 4.028 -0.157 0.000) 4.031 4.034 ( -1.659 -0.067 0.000) 1.660 4.231 ( 2.684 0.090 0.000) 2.686 4.445 ( 0.720 -0.000 0.000) 0.720 4.606 ( 2.745 -0.217 0.000) 2.754 4.722 ( 0.349 0.142 0.000) 0.377 4.804 ( -0.094 0.059 0.000) 0.111 4.899 ( -3.864 2.192 0.000) 4.443 5.174 ( -0.950 1.847 0.000) 2.077 5.254 ( -2.963 0.262 0.000) 2.974 5.505 ( -2.471 -0.679 0.000) 2.563 5.657 ( 1.165 0.913 0.000) 1.480 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.700 0.700 0.000) 0.990 0.992 ( -2.585 3.910 0.000) 4.687 1.043 ( -2.210 -0.568 0.000) 2.282 1.097 ( 3.203 3.829 0.000) 4.992 1.196 ( -0.897 3.421 0.000) 3.537 1.436 ( 2.441 0.121 0.000) 2.444 1.466 ( -0.073 -0.825 0.000) 0.828 1.468 ( 3.068 3.360 0.000) 4.550 1.602 ( 4.801 0.160 0.000) 4.804 1.604 ( 2.449 0.406 0.000) 2.482 1.707 ( 0.221 -1.894 0.000) 1.907 1.774 ( -3.949 -5.259 0.000) 6.577 1.890 ( -5.454 -0.393 0.000) 5.468 1.895 ( 2.721 -0.900 0.000) 2.866 1.988 ( 3.292 -2.630 0.000) 4.214 2.666 ( 6.310 -0.585 0.000) 6.337 2.787 ( 6.415 0.030 0.000) 6.415 2.895 ( -0.778 0.059 0.000) 0.780 3.263 ( -1.974 -0.113 0.000) 1.977 3.577 ( -4.026 -0.500 0.000) 4.057 3.692 ( 0.590 0.019 0.000) 0.590 3.710 ( 3.683 -0.043 0.000) 3.683 3.824 ( 0.592 0.217 0.000) 0.630 3.945 ( 0.050 -0.017 0.000) 0.053 4.018 ( -0.213 -0.024 0.000) 0.214 4.127 ( 6.248 -0.026 0.000) 6.248 4.274 ( 1.432 -0.219 0.000) 1.449 4.452 ( -0.027 -0.100 0.000) 0.104 4.625 ( -0.893 -0.188 0.000) 0.913 4.730 ( 0.459 0.129 0.000) 0.477 4.799 ( -0.285 -0.013 0.000) 0.285 4.826 ( -2.219 1.222 0.000) 2.534 5.141 ( -1.576 -0.102 0.000) 1.579 5.216 ( -0.766 1.354 0.000) 1.556 5.470 ( -1.357 -0.460 0.000) 1.433 5.669 ( 0.525 0.615 0.000) 0.808 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.000 -0.000 0.000) 0.000 0.966 ( 0.000 -0.000 0.000) 0.000 1.018 ( 0.000 -0.000 0.000) 0.000 1.122 ( -0.000 -0.000 0.000) 0.000 1.172 ( 0.000 -0.000 0.000) 0.000 1.444 ( 0.000 -0.000 0.000) 0.000 1.472 ( 0.000 -0.000 0.000) 0.000 1.494 ( 0.000 -0.000 0.000) 0.000 1.626 ( 0.000 -0.000 0.000) 0.000 1.687 ( 0.000 -0.000 0.000) 0.000 1.727 ( 0.000 0.000 0.000) 0.000 1.734 ( -0.000 -0.000 0.000) 0.000 1.808 ( 0.000 -0.000 0.000) 0.000 1.923 ( 0.000 -0.000 0.000) 0.000 2.027 ( 0.000 -0.000 0.000) 0.000 2.724 ( 0.000 -0.000 0.000) 0.000 2.847 ( 0.000 -0.000 0.000) 0.000 2.888 ( 0.000 -0.000 0.000) 0.000 3.244 ( 0.000 -0.000 0.000) 0.000 3.540 ( 0.000 -0.000 0.000) 0.000 3.696 ( 0.000 -0.000 0.000) 0.000 3.762 ( -0.000 -0.000 0.000) 0.000 3.830 ( 0.000 -0.000 0.000) 0.000 3.936 ( 0.000 -0.000 0.000) 0.000 4.018 ( 0.000 -0.000 0.000) 0.000 4.208 ( -0.000 -0.000 0.000) 0.000 4.284 ( 0.000 -0.000 0.000) 0.000 4.451 ( 0.000 -0.000 0.000) 0.000 4.605 ( 0.000 -0.000 0.000) 0.000 4.735 ( 0.000 -0.000 0.000) 0.000 4.796 ( 0.000 -0.000 0.000) 0.000 4.803 ( 0.000 -0.000 0.000) 0.000 5.125 ( 0.000 -0.000 0.000) 0.000 5.205 ( 0.000 -0.000 0.000) 0.000 5.458 ( 0.000 -0.000 0.000) 0.000 5.672 ( 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: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 14.819 -0.000 0.000) 14.819 0.613 ( 13.764 -0.000 0.000) 13.764 0.931 ( 12.659 -0.000 0.000) 12.659 1.032 ( 5.807 -0.000 0.000) 5.807 1.166 ( 11.652 -0.000 0.000) 11.652 1.174 ( -2.173 0.000 0.000) 2.173 1.185 ( 5.053 -0.000 0.000) 5.053 1.457 ( 2.448 -0.000 0.000) 2.448 1.526 ( 0.166 -0.000 0.000) 0.166 1.539 ( 5.386 -0.000 0.000) 5.386 1.543 ( 0.371 -0.000 0.000) 0.371 1.556 ( 4.537 -0.000 0.000) 4.537 1.717 ( 6.295 -0.000 0.000) 6.295 1.875 ( 5.723 -0.000 0.000) 5.723 1.916 ( 16.012 -0.000 0.000) 16.012 1.917 ( -4.331 0.000 0.000) 4.331 2.071 ( -1.307 0.000 0.000) 1.307 2.947 ( -1.487 0.000 0.000) 1.487 3.437 ( -1.619 0.000 0.000) 1.619 3.574 ( 2.487 -0.000 0.000) 2.487 3.576 ( 5.607 -0.000 0.000) 5.607 3.598 ( 10.173 -0.000 0.000) 10.173 3.741 ( -2.306 0.000 0.000) 2.306 3.996 ( -1.355 0.000 0.000) 1.355 4.103 ( -3.157 0.000 0.000) 3.157 4.129 ( 2.442 -0.000 0.000) 2.442 4.162 ( -4.095 0.000 0.000) 4.095 4.419 ( 4.714 -0.000 0.000) 4.714 4.451 ( -3.757 0.000 0.000) 3.757 4.729 ( -0.661 0.000 0.000) 0.661 4.804 ( -0.044 0.000 0.000) 0.044 5.095 ( -3.379 0.000 0.000) 3.379 5.245 ( 0.725 -0.000 0.000) 0.725 5.397 ( -5.400 0.000 0.000) 5.400 5.613 ( 1.149 -0.000 0.000) 1.149 5.618 ( -3.217 0.000 0.000) 3.217 ======================= Grid point 15 (9/129) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 8.512 -0.489 0.000) 8.526 0.860 ( 12.456 2.345 0.000) 12.675 1.077 ( 4.214 0.022 0.000) 4.214 1.129 ( -1.861 0.811 0.000) 2.030 1.158 ( 7.135 0.153 0.000) 7.137 1.262 ( 2.571 0.044 0.000) 2.571 1.396 ( 9.135 1.475 0.000) 9.253 1.500 ( -1.967 -0.049 0.000) 1.968 1.508 ( 2.802 1.124 0.000) 3.019 1.553 ( 0.367 -0.388 0.000) 0.534 1.643 ( 4.567 0.350 0.000) 4.580 1.668 ( 6.359 -0.569 0.000) 6.384 1.726 ( -0.014 -1.491 0.000) 1.492 1.829 ( -4.845 -2.131 0.000) 5.293 2.037 ( -2.292 -0.074 0.000) 2.293 2.145 ( 16.960 -0.181 0.000) 16.961 2.266 ( 18.403 0.179 0.000) 18.404 2.927 ( -0.748 -0.175 0.000) 0.768 3.386 ( -3.388 -0.044 0.000) 3.389 3.628 ( 2.753 -0.001 0.000) 2.753 3.670 ( 3.561 -0.105 0.000) 3.563 3.674 ( -1.773 -0.061 0.000) 1.774 3.798 ( 7.418 0.002 0.000) 7.418 3.963 ( -8.998 0.279 0.000) 9.002 3.979 ( -0.454 -0.328 0.000) 0.560 4.084 ( -3.535 -0.067 0.000) 3.535 4.180 ( 2.707 0.133 0.000) 2.710 4.428 ( 0.732 0.105 0.000) 0.739 4.521 ( 5.231 -0.150 0.000) 5.233 4.721 ( -0.129 0.032 0.000) 0.133 4.805 ( 0.104 0.077 0.000) 0.130 5.012 ( -4.474 1.182 0.000) 4.627 5.243 ( -0.093 4.304 0.000) 4.305 5.301 ( -4.840 -3.372 0.000) 5.899 5.554 ( -3.203 -0.084 0.000) 3.205 5.640 ( 1.476 0.143 0.000) 1.483 ======================= Grid point 16 (10/129) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 2.588 0.103 0.000) 2.590 1.042 ( 7.237 4.330 0.000) 8.433 1.085 ( -2.405 0.064 0.000) 2.405 1.113 ( -0.038 0.992 0.000) 0.993 1.274 ( -0.476 2.906 0.000) 2.944 1.318 ( 8.574 0.298 0.000) 8.579 1.466 ( -1.460 -0.737 0.000) 1.635 1.491 ( 3.280 5.354 0.000) 6.279 1.554 ( 2.678 1.037 0.000) 2.872 1.561 ( 0.574 0.040 0.000) 0.575 1.661 ( -0.249 -2.547 0.000) 2.559 1.751 ( -2.964 -5.648 0.000) 6.379 1.801 ( 4.979 -0.309 0.000) 4.989 1.838 ( 6.176 -3.177 0.000) 6.945 1.978 ( -3.936 -0.231 0.000) 3.943 2.456 ( 13.729 -0.557 0.000) 13.741 2.589 ( 13.948 0.153 0.000) 13.949 2.913 ( -0.830 -0.066 0.000) 0.832 3.316 ( -3.517 -0.102 0.000) 3.518 3.659 ( 0.771 -0.049 0.000) 0.772 3.673 ( -4.242 -0.183 0.000) 4.246 3.673 ( 1.299 -0.058 0.000) 1.300 3.826 ( -2.199 -0.039 0.000) 2.199 3.909 ( 3.755 -0.012 0.000) 3.756 4.018 ( 4.050 -0.093 0.000) 4.052 4.034 ( -1.619 -0.038 0.000) 1.619 4.232 ( 2.529 0.054 0.000) 2.529 4.445 ( 0.637 -0.008 0.000) 0.637 4.604 ( 2.796 -0.121 0.000) 2.799 4.724 ( 0.345 0.075 0.000) 0.353 4.804 ( -0.151 0.034 0.000) 0.155 4.916 ( -4.489 1.128 0.000) 4.629 5.191 ( -2.834 1.284 0.000) 3.112 5.256 ( -1.443 0.048 0.000) 1.444 5.499 ( -2.418 -0.358 0.000) 2.444 5.664 ( 1.091 0.494 0.000) 1.198 ======================= Grid point 17 (11/129) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.810 0.642 0.000) 1.033 1.033 ( -3.462 3.556 0.000) 4.963 1.037 ( -2.445 -0.543 0.000) 2.504 1.133 ( 1.702 2.835 0.000) 3.307 1.228 ( -2.533 2.479 0.000) 3.544 1.438 ( 2.121 0.307 0.000) 2.143 1.457 ( 0.651 -0.811 0.000) 1.040 1.502 ( 0.935 3.007 0.000) 3.149 1.601 ( 1.529 -1.039 0.000) 1.848 1.604 ( 4.701 0.104 0.000) 4.702 1.697 ( 2.830 -0.153 0.000) 2.834 1.722 ( -2.078 -4.290 0.000) 4.767 1.886 ( -5.375 -0.285 0.000) 5.382 1.889 ( 3.227 -0.089 0.000) 3.228 1.956 ( 3.865 -3.299 0.000) 5.081 2.662 ( 6.877 -0.198 0.000) 6.879 2.787 ( 6.349 0.022 0.000) 6.349 2.894 ( -0.956 -0.083 0.000) 0.960 3.262 ( -1.923 -0.086 0.000) 1.925 3.572 ( -3.930 -0.417 0.000) 3.952 3.692 ( 0.549 0.039 0.000) 0.550 3.710 ( 3.779 -0.057 0.000) 3.780 3.826 ( 0.612 0.218 0.000) 0.650 3.945 ( 0.055 -0.010 0.000) 0.056 4.018 ( -0.203 -0.018 0.000) 0.203 4.127 ( 6.360 -0.021 0.000) 6.360 4.272 ( 1.334 -0.166 0.000) 1.345 4.450 ( -0.028 -0.089 0.000) 0.093 4.623 ( -0.850 -0.130 0.000) 0.860 4.732 ( 0.437 0.095 0.000) 0.447 4.799 ( -0.294 -0.010 0.000) 0.294 4.837 ( -2.739 0.847 0.000) 2.867 5.141 ( -1.786 0.002 0.000) 1.786 5.228 ( -1.147 0.952 0.000) 1.491 5.466 ( -1.164 -0.320 0.000) 1.207 5.675 ( 0.264 0.433 0.000) 0.507 ======================= Grid point 18 (12/129) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -2.075 1.334 0.000) 2.467 0.969 ( -0.585 0.487 0.000) 0.761 1.016 ( 0.546 -0.517 0.000) 0.753 1.124 ( -1.862 0.331 0.000) 1.891 1.165 ( -2.533 -1.114 0.000) 2.767 1.446 ( 0.298 0.341 0.000) 0.453 1.471 ( 0.046 -0.294 0.000) 0.298 1.489 ( -2.108 -0.932 0.000) 2.305 1.616 ( -0.585 -1.634 0.000) 1.735 1.687 ( -0.187 -0.006 0.000) 0.187 1.720 ( 0.856 0.506 0.000) 0.994 1.760 ( 4.038 2.693 0.000) 4.853 1.808 ( 0.394 0.004 0.000) 0.394 1.925 ( 0.623 0.479 0.000) 0.786 2.019 ( 1.075 -1.651 0.000) 1.970 2.728 ( 0.403 0.669 0.000) 0.781 2.847 ( 0.016 0.001 0.000) 0.016 2.886 ( -0.123 -0.489 0.000) 0.504 3.244 ( 0.060 -0.004 0.000) 0.060 3.539 ( 0.322 -0.061 0.000) 0.327 3.696 ( -0.011 0.008 0.000) 0.013 3.762 ( -0.009 -0.009 0.000) 0.013 3.830 ( -0.150 0.080 0.000) 0.170 3.936 ( 0.016 0.003 0.000) 0.016 4.018 ( 0.014 -0.001 0.000) 0.014 4.208 ( -0.170 0.003 0.000) 0.170 4.284 ( 0.373 -0.008 0.000) 0.373 4.450 ( 0.075 -0.019 0.000) 0.077 4.605 ( 0.104 -0.025 0.000) 0.107 4.736 ( -0.078 0.037 0.000) 0.086 4.796 ( 0.017 0.000 0.000) 0.017 4.803 ( -0.686 -0.005 0.000) 0.686 5.125 ( 0.170 0.001 0.000) 0.170 5.205 ( -0.843 0.009 0.000) 0.843 5.458 ( 0.259 0.001 0.000) 0.259 5.672 ( -0.344 -0.000 0.000) 0.344 ======================= Grid point 19 (13/129) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.810 -0.573 0.000) 0.992 0.955 ( 1.189 -3.004 0.000) 3.231 1.048 ( 2.196 0.445 0.000) 2.241 1.056 ( -5.234 -3.783 0.000) 6.458 1.159 ( -0.114 -3.495 0.000) 3.497 1.433 ( -4.280 -3.062 0.000) 5.263 1.435 ( -2.731 -0.004 0.000) 2.731 1.474 ( 0.821 0.729 0.000) 1.098 1.594 ( -2.509 -1.279 0.000) 2.816 1.600 ( -4.938 -0.183 0.000) 4.942 1.736 ( 1.530 3.437 0.000) 3.762 1.824 ( 4.155 3.798 0.000) 5.629 1.894 ( 5.547 0.397 0.000) 5.561 1.908 ( -1.817 1.755 0.000) 2.527 2.009 ( -2.310 1.238 0.000) 2.621 2.674 ( -5.880 0.986 0.000) 5.962 2.787 ( -6.492 -0.030 0.000) 6.492 2.893 ( 0.769 -0.286 0.000) 0.820 3.264 ( 2.033 0.108 0.000) 2.036 3.582 ( 4.129 0.411 0.000) 4.150 3.692 ( -0.569 0.017 0.000) 0.570 3.711 ( -3.639 0.006 0.000) 3.639 3.822 ( -0.562 -0.114 0.000) 0.574 3.945 ( -0.045 0.020 0.000) 0.050 4.018 ( 0.226 0.023 0.000) 0.227 4.128 ( -6.128 0.023 0.000) 6.128 4.276 ( -1.536 0.211 0.000) 1.551 4.452 ( 0.024 0.075 0.000) 0.078 4.627 ( 0.967 0.204 0.000) 0.989 4.729 ( -0.513 -0.129 0.000) 0.529 4.800 ( 0.273 0.014 0.000) 0.274 4.813 ( 1.547 -1.298 0.000) 2.019 5.143 ( 1.407 0.309 0.000) 1.440 5.200 ( 0.304 -1.503 0.000) 1.534 5.475 ( 1.610 0.492 0.000) 1.683 5.662 ( -0.857 -0.646 0.000) 1.073 ======================= Grid point 20 (14/129) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -7.751 -5.054 0.000) 9.253 0.938 ( -1.418 -0.242 0.000) 1.438 1.038 ( 1.356 -5.640 0.000) 5.801 1.082 ( 1.193 -0.138 0.000) 1.201 1.185 ( 0.648 -4.474 0.000) 4.521 1.310 ( -9.166 -0.343 0.000) 9.172 1.370 ( -4.095 -5.087 0.000) 6.531 1.491 ( 1.302 1.417 0.000) 1.924 1.533 ( -4.086 -0.721 0.000) 4.149 1.558 ( -0.087 -0.241 0.000) 0.257 1.737 ( 0.360 3.946 0.000) 3.962 1.827 ( -4.371 1.865 0.000) 4.752 1.880 ( 2.836 5.032 0.000) 5.776 1.915 ( -5.730 3.712 0.000) 6.827 1.986 ( 3.902 0.476 0.000) 3.931 2.478 ( -13.503 1.369 0.000) 13.572 2.584 ( -14.296 -0.315 0.000) 14.300 2.916 ( 1.263 0.115 0.000) 1.268 3.320 ( 3.549 0.197 0.000) 3.555 3.661 ( -0.668 0.146 0.000) 0.684 3.674 ( -1.644 0.052 0.000) 1.645 3.679 ( 4.208 0.318 0.000) 4.220 3.829 ( 2.821 0.242 0.000) 2.831 3.910 ( -3.753 0.025 0.000) 3.753 4.021 ( -3.992 0.175 0.000) 3.996 4.035 ( 1.713 0.077 0.000) 1.715 4.230 ( -2.899 -0.102 0.000) 2.901 4.445 ( -0.826 -0.020 0.000) 0.826 4.609 ( -2.695 0.253 0.000) 2.706 4.721 ( -0.344 -0.179 0.000) 0.388 4.803 ( 0.015 -0.069 0.000) 0.070 4.871 ( 2.740 -2.897 0.000) 3.988 5.154 ( -0.547 -1.708 0.000) 1.794 5.251 ( 4.196 -0.430 0.000) 4.218 5.513 ( 2.592 0.911 0.000) 2.747 5.645 ( -1.313 -1.181 0.000) 1.766 ======================= Grid point 21 (15/129) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -11.183 -4.279 0.000) 11.974 0.866 ( -6.647 2.109 0.000) 6.973 1.056 ( -2.203 -2.425 0.000) 3.276 1.093 ( -1.128 -2.213 0.000) 2.484 1.140 ( -6.903 -1.673 0.000) 7.103 1.228 ( 0.503 -3.952 0.000) 3.984 1.322 ( -4.289 -4.834 0.000) 6.462 1.458 ( -3.824 -2.004 0.000) 4.317 1.508 ( 1.114 0.916 0.000) 1.442 1.568 ( 0.790 0.696 0.000) 1.052 1.666 ( -6.581 2.653 0.000) 7.095 1.721 ( -6.574 4.299 0.000) 7.855 1.781 ( -2.488 2.681 0.000) 3.658 1.905 ( 1.820 3.427 0.000) 3.881 2.041 ( 2.065 0.328 0.000) 2.090 2.157 ( -17.538 1.010 0.000) 17.567 2.256 ( -18.650 -0.714 0.000) 18.663 2.936 ( 1.118 0.653 0.000) 1.295 3.389 ( 3.316 0.158 0.000) 3.320 3.628 ( -2.857 0.006 0.000) 2.857 3.677 ( -3.218 0.502 0.000) 3.257 3.678 ( 1.840 0.231 0.000) 1.854 3.798 ( -7.500 -0.007 0.000) 7.500 3.958 ( 6.300 0.120 0.000) 6.301 3.988 ( 2.678 0.352 0.000) 2.701 4.088 ( 3.708 0.247 0.000) 3.716 4.172 ( -3.040 -0.589 0.000) 3.096 4.423 ( -1.258 -0.339 0.000) 1.303 4.529 ( -4.871 0.458 0.000) 4.892 4.720 ( 0.154 -0.118 0.000) 0.194 4.801 ( -0.332 -0.294 0.000) 0.443 4.927 ( -0.119 -6.802 0.000) 6.803 5.156 ( -0.129 -2.713 0.000) 2.717 5.356 ( 6.710 1.529 0.000) 6.882 5.559 ( 2.052 0.390 0.000) 2.089 5.631 ( -0.208 -0.605 0.000) 0.640 ======================= Grid point 22 (16/129) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -12.609 -1.401 0.000) 12.687 0.649 ( -13.221 3.238 0.000) 13.611 0.984 ( -6.317 2.242 0.000) 6.703 1.014 ( -5.394 -1.730 0.000) 5.664 1.127 ( 0.920 -3.995 0.000) 4.100 1.152 ( -10.510 0.208 0.000) 10.512 1.237 ( -4.425 2.196 0.000) 4.940 1.414 ( -2.287 -3.496 0.000) 4.177 1.522 ( -6.001 -0.291 0.000) 6.008 1.522 ( 0.293 0.294 0.000) 0.415 1.566 ( -1.089 1.302 0.000) 1.698 1.566 ( -5.841 1.272 0.000) 5.978 1.726 ( -7.774 0.751 0.000) 7.810 1.853 ( -6.120 -1.893 0.000) 6.406 1.904 ( -15.705 -0.965 0.000) 15.735 1.949 ( 2.293 2.137 0.000) 3.134 2.073 ( 1.071 0.181 0.000) 1.086 2.957 ( 1.578 0.877 0.000) 1.805 3.437 ( 1.592 0.053 0.000) 1.593 3.571 ( -2.736 -0.239 0.000) 2.747 3.582 ( -5.694 0.613 0.000) 5.727 3.600 ( -10.198 0.145 0.000) 10.199 3.741 ( 2.324 0.009 0.000) 2.324 3.993 ( 1.095 -0.108 0.000) 1.100 4.084 ( 0.301 -1.664 0.000) 1.691 4.131 ( -0.522 0.141 0.000) 0.541 4.167 ( 4.193 0.418 0.000) 4.214 4.404 ( -2.737 -0.951 0.000) 2.897 4.456 ( 0.341 0.195 0.000) 0.393 4.723 ( -0.553 -1.104 0.000) 1.235 4.797 ( -0.159 -0.582 0.000) 0.603 4.928 ( -5.217 -13.359 0.000) 14.342 5.183 ( 1.628 -1.230 0.000) 2.040 5.490 ( 8.383 4.059 0.000) 9.314 5.575 ( -0.384 -1.685 0.000) 1.728 5.656 ( 2.634 1.727 0.000) 3.149 ======================= Grid point 23 (17/129) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( -11.093 4.297 0.000) 11.897 0.351 ( -14.879 3.689 0.000) 15.329 0.660 ( -20.958 11.541 0.000) 23.925 0.926 ( -3.905 -0.870 0.000) 4.001 1.024 ( -2.092 0.164 0.000) 2.099 1.118 ( -5.467 3.622 0.000) 6.559 1.184 ( 2.649 -4.090 0.000) 4.873 1.390 ( -4.460 -2.930 0.000) 5.336 1.426 ( -2.182 -0.569 0.000) 2.255 1.431 ( -9.679 -0.830 0.000) 9.715 1.484 ( -2.826 -0.693 0.000) 2.910 1.543 ( 0.101 0.488 0.000) 0.499 1.545 ( -6.079 -0.802 0.000) 6.131 1.730 ( -2.612 0.497 0.000) 2.659 1.856 ( 1.290 -2.573 0.000) 2.878 2.021 ( 6.528 3.084 0.000) 7.220 2.089 ( 0.590 -0.034 0.000) 0.591 2.988 ( 1.803 0.750 0.000) 1.953 3.404 ( -8.421 0.124 0.000) 8.422 3.450 ( -0.143 0.063 0.000) 0.156 3.470 ( -4.907 0.118 0.000) 4.908 3.536 ( -1.054 -0.539 0.000) 1.184 3.783 ( 1.660 -0.031 0.000) 1.660 3.977 ( -4.822 -4.294 0.000) 6.456 4.082 ( 0.172 -1.849 0.000) 1.857 4.110 ( -1.634 0.394 0.000) 1.681 4.234 ( 2.650 0.432 0.000) 2.685 4.345 ( -2.937 -1.351 0.000) 3.233 4.468 ( -8.437 -10.139 0.000) 13.190 4.678 ( -7.123 -9.145 0.000) 11.592 4.801 ( 0.150 -0.725 0.000) 0.740 4.883 ( -5.067 -11.050 0.000) 12.156 5.220 ( 1.523 -0.140 0.000) 1.529 5.576 ( -0.368 -1.956 0.000) 1.990 5.641 ( 10.651 7.748 0.000) 13.171 5.694 ( 1.998 2.234 0.000) 2.997 ======================= Grid point 24 (18/129) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.091 ( -0.000 8.562 0.000) 8.562 0.156 ( -0.000 14.600 0.000) 14.600 0.228 ( -0.000 21.364 0.000) 21.364 0.888 ( 0.000 -0.422 0.000) 0.422 1.010 ( -0.000 2.048 0.000) 2.048 1.035 ( -0.000 1.114 0.000) 1.114 1.267 ( 0.000 -0.075 0.000) 0.075 1.291 ( 0.000 -4.383 0.000) 4.383 1.314 ( 0.000 -0.727 0.000) 0.727 1.454 ( 0.000 -0.537 0.000) 0.537 1.464 ( 0.000 -1.244 0.000) 1.244 1.488 ( 0.000 -0.988 0.000) 0.988 1.541 ( -0.000 0.605 0.000) 0.605 1.712 ( -0.000 0.799 0.000) 0.799 1.885 ( 0.000 -2.198 0.000) 2.198 2.096 ( 0.000 -0.078 0.000) 0.078 2.376 ( 0.000 -3.003 0.000) 3.003 3.007 ( -0.000 0.507 0.000) 0.507 3.314 ( -0.000 0.111 0.000) 0.111 3.328 ( -0.000 0.134 0.000) 0.134 3.417 ( 0.000 -0.063 0.000) 0.063 3.445 ( -0.000 0.042 0.000) 0.042 3.530 ( 0.000 -0.486 0.000) 0.486 3.800 ( 0.000 -0.042 0.000) 0.042 4.077 ( -0.000 0.154 0.000) 0.154 4.085 ( -0.000 0.145 0.000) 0.145 4.105 ( -0.000 0.233 0.000) 0.233 4.259 ( -0.000 0.324 0.000) 0.324 4.334 ( -0.000 0.383 0.000) 0.383 4.640 ( 0.000 -1.673 0.000) 1.673 4.807 ( 0.000 -0.583 0.000) 0.583 4.859 ( 0.000 -0.476 0.000) 0.476 5.236 ( -0.000 0.054 0.000) 0.054 5.582 ( 0.000 -1.637 0.000) 1.637 5.703 ( -0.000 1.909 0.000) 1.909 5.822 ( 0.000 -0.051 0.000) 0.051 ======================= Grid point 27 (19/129) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 2.775 -0.000 0.000) 2.775 1.068 ( 7.805 -0.000 0.000) 7.805 1.085 ( -2.590 0.000 0.000) 2.590 1.115 ( -0.567 0.000 0.000) 0.567 1.290 ( -0.056 0.000 0.000) 0.056 1.319 ( 8.503 -0.000 0.000) 8.503 1.462 ( -1.526 0.000 0.000) 1.526 1.526 ( 3.626 -0.000 0.000) 3.626 1.558 ( 1.948 -0.000 0.000) 1.948 1.561 ( 0.663 -0.000 0.000) 0.663 1.648 ( -0.377 0.000 0.000) 0.377 1.714 ( -3.417 0.000 0.000) 3.417 1.805 ( 5.337 -0.000 0.000) 5.337 1.815 ( 6.290 -0.000 0.000) 6.290 1.976 ( -3.943 0.000 0.000) 3.943 2.453 ( 13.771 -0.000 0.000) 13.771 2.590 ( 13.896 -0.000 0.000) 13.896 2.913 ( -0.771 0.000 0.000) 0.771 3.316 ( -3.512 0.000 0.000) 3.512 3.658 ( 0.788 -0.000 0.000) 0.788 3.672 ( -4.713 0.000 0.000) 4.713 3.672 ( 1.689 -0.000 0.000) 1.689 3.826 ( -2.098 0.000 0.000) 2.098 3.909 ( 3.756 -0.000 0.000) 3.756 4.017 ( 4.058 -0.000 0.000) 4.058 4.033 ( -1.604 0.000 0.000) 1.604 4.232 ( 2.472 -0.000 0.000) 2.472 4.445 ( 0.606 -0.000 0.000) 0.606 4.604 ( 2.816 -0.000 0.000) 2.816 4.724 ( 0.343 -0.000 0.000) 0.343 4.805 ( -0.172 0.000 0.000) 0.172 4.922 ( -4.675 0.000 0.000) 4.675 5.198 ( -3.864 0.000 0.000) 3.864 5.256 ( -0.585 0.000 0.000) 0.585 5.497 ( -2.403 0.000 0.000) 2.403 5.667 ( 1.069 -0.000 0.000) 1.069 ======================= Grid point 28 (20/129) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 1.044 0.280 0.000) 1.081 1.032 ( -2.759 -0.243 0.000) 2.770 1.061 ( -3.926 1.530 0.000) 4.213 1.153 ( 1.210 0.933 0.000) 1.528 1.247 ( -4.055 0.987 0.000) 4.173 1.442 ( 1.748 0.519 0.000) 1.823 1.449 ( 1.261 -0.702 0.000) 1.443 1.528 ( -1.581 1.612 0.000) 2.258 1.587 ( 0.844 -1.163 0.000) 1.437 1.604 ( 4.649 0.036 0.000) 4.649 1.691 ( 0.684 -1.455 0.000) 1.608 1.698 ( 4.372 0.065 0.000) 4.373 1.884 ( -5.329 -0.104 0.000) 5.330 1.895 ( 3.739 1.247 0.000) 3.941 1.923 ( 3.904 -2.677 0.000) 4.734 2.661 ( 7.284 -0.026 0.000) 7.284 2.787 ( 6.312 0.008 0.000) 6.312 2.894 ( -1.131 -0.056 0.000) 1.133 3.261 ( -1.894 -0.032 0.000) 1.895 3.569 ( -3.872 -0.162 0.000) 3.875 3.693 ( 0.491 0.020 0.000) 0.492 3.709 ( 3.869 -0.027 0.000) 3.869 3.828 ( 0.623 0.092 0.000) 0.629 3.945 ( 0.058 -0.003 0.000) 0.058 4.018 ( -0.197 -0.007 0.000) 0.197 4.127 ( 6.428 -0.008 0.000) 6.428 4.271 ( 1.275 -0.062 0.000) 1.276 4.450 ( -0.028 -0.036 0.000) 0.045 4.622 ( -0.833 -0.046 0.000) 0.835 4.732 ( 0.434 0.035 0.000) 0.435 4.799 ( -0.300 -0.004 0.000) 0.300 4.844 ( -3.013 0.300 0.000) 3.028 5.141 ( -1.923 0.013 0.000) 1.923 5.235 ( -1.371 0.344 0.000) 1.413 5.463 ( -1.061 -0.114 0.000) 1.067 5.678 ( 0.122 0.155 0.000) 0.197 ======================= Grid point 29 (21/129) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -3.519 1.554 0.000) 3.847 0.976 ( -1.424 0.692 0.000) 1.583 1.009 ( 1.358 -0.722 0.000) 1.538 1.126 ( -4.078 -0.161 0.000) 4.081 1.154 ( -3.579 -0.784 0.000) 3.663 1.451 ( 0.631 0.523 0.000) 0.819 1.466 ( -0.036 -0.476 0.000) 0.477 1.478 ( -3.421 -0.996 0.000) 3.563 1.599 ( -0.466 -1.396 0.000) 1.472 1.687 ( -0.324 -0.006 0.000) 0.324 1.735 ( 3.232 1.838 0.000) 3.718 1.780 ( 4.114 0.908 0.000) 4.213 1.808 ( 0.682 0.004 0.000) 0.682 1.937 ( 1.433 1.819 0.000) 2.316 1.995 ( 1.841 -2.769 0.000) 3.326 2.736 ( 0.751 0.717 0.000) 1.038 2.847 ( 0.027 0.001 0.000) 0.027 2.880 ( -0.261 -0.540 0.000) 0.600 3.244 ( 0.103 -0.004 0.000) 0.103 3.539 ( 0.554 -0.061 0.000) 0.557 3.696 ( -0.018 0.008 0.000) 0.020 3.762 ( -0.016 -0.009 0.000) 0.018 3.831 ( -0.257 0.080 0.000) 0.269 3.936 ( 0.028 0.003 0.000) 0.028 4.018 ( 0.024 -0.001 0.000) 0.024 4.208 ( -0.295 0.003 0.000) 0.295 4.284 ( 0.646 -0.008 0.000) 0.646 4.450 ( 0.129 -0.020 0.000) 0.131 4.604 ( 0.178 -0.025 0.000) 0.180 4.736 ( -0.132 0.037 0.000) 0.137 4.796 ( 0.029 0.000 0.000) 0.029 4.803 ( -1.189 -0.005 0.000) 1.189 5.125 ( 0.294 0.001 0.000) 0.294 5.205 ( -1.460 0.009 0.000) 1.460 5.458 ( 0.448 0.001 0.000) 0.448 5.672 ( -0.595 -0.000 0.000) 0.595 ======================= Grid point 30 (22/129) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -0.547 -1.501 0.000) 1.597 0.948 ( -1.029 -0.362 0.000) 1.091 1.020 ( -6.683 -3.049 0.000) 7.346 1.052 ( 2.323 0.271 0.000) 2.339 1.127 ( -0.786 -2.479 0.000) 2.601 1.405 ( -4.756 -2.196 0.000) 5.239 1.435 ( -2.969 0.034 0.000) 2.969 1.480 ( 1.459 0.513 0.000) 1.547 1.581 ( -2.070 -1.080 0.000) 2.335 1.598 ( -5.086 -0.153 0.000) 5.088 1.774 ( 2.113 3.716 0.000) 4.275 1.847 ( 2.750 0.415 0.000) 2.781 1.898 ( 5.630 0.293 0.000) 5.637 1.935 ( -0.052 3.285 0.000) 3.285 2.013 ( -1.105 -0.418 0.000) 1.181 2.685 ( -5.729 1.015 0.000) 5.818 2.786 ( -6.560 -0.022 0.000) 6.560 2.889 ( 0.958 -0.388 0.000) 1.033 3.265 ( 2.084 0.076 0.000) 2.085 3.585 ( 4.211 0.239 0.000) 4.218 3.692 ( -0.497 0.037 0.000) 0.499 3.711 ( -3.655 -0.020 0.000) 3.655 3.821 ( -0.528 -0.014 0.000) 0.528 3.945 ( -0.041 0.017 0.000) 0.045 4.019 ( 0.237 0.016 0.000) 0.238 4.128 ( -6.032 0.015 0.000) 6.032 4.278 ( -1.620 0.148 0.000) 1.627 4.453 ( 0.020 0.037 0.000) 0.042 4.629 ( 1.057 0.162 0.000) 1.069 4.728 ( -0.588 -0.096 0.000) 0.596 4.800 ( 0.264 0.010 0.000) 0.264 4.800 ( 0.904 -0.997 0.000) 1.346 5.148 ( 1.462 0.568 0.000) 1.569 5.185 ( -0.255 -1.407 0.000) 1.430 5.480 ( 1.863 0.384 0.000) 1.902 5.656 ( -1.179 -0.497 0.000) 1.279 ======================= Grid point 31 (23/129) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -7.571 -3.351 0.000) 8.279 0.935 ( -0.771 -0.226 0.000) 0.803 0.976 ( 1.253 -5.799 0.000) 5.933 1.081 ( 0.486 -0.124 0.000) 0.502 1.142 ( 0.620 -3.577 0.000) 3.630 1.307 ( -9.547 -0.211 0.000) 9.549 1.324 ( -4.796 -3.564 0.000) 5.975 1.506 ( 1.418 1.350 0.000) 1.958 1.527 ( -3.878 -0.520 0.000) 3.913 1.555 ( 0.063 -0.403 0.000) 0.408 1.776 ( -0.211 3.399 0.000) 3.405 1.844 ( -2.825 1.276 0.000) 3.100 1.923 ( -0.143 3.056 0.000) 3.059 1.952 ( -3.390 3.224 0.000) 4.678 1.991 ( 3.889 0.420 0.000) 3.911 2.492 ( -13.405 1.323 0.000) 13.470 2.580 ( -14.504 -0.278 0.000) 14.507 2.917 ( 1.559 0.089 0.000) 1.561 3.322 ( 3.568 0.167 0.000) 3.572 3.662 ( -0.609 0.158 0.000) 0.629 3.674 ( -1.620 0.014 0.000) 1.620 3.682 ( 4.081 0.247 0.000) 4.089 3.832 ( 3.162 0.303 0.000) 3.176 3.910 ( -3.755 0.022 0.000) 3.755 4.022 ( -3.954 0.147 0.000) 3.956 4.036 ( 1.768 0.067 0.000) 1.769 4.229 ( -3.120 -0.090 0.000) 3.121 4.445 ( -0.920 -0.033 0.000) 0.921 4.611 ( -2.683 0.204 0.000) 2.691 4.719 ( -0.312 -0.156 0.000) 0.349 4.803 ( -0.065 -0.059 0.000) 0.088 4.840 ( 1.340 -2.805 0.000) 3.109 5.139 ( -1.406 -1.197 0.000) 1.847 5.246 ( 5.015 -0.425 0.000) 5.033 5.523 ( 2.822 0.969 0.000) 2.984 5.633 ( -1.570 -1.202 0.000) 1.978 ======================= Grid point 32 (24/129) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -9.025 -1.613 0.000) 9.168 0.891 ( -4.766 2.472 0.000) 5.369 1.021 ( -0.456 -4.273 0.000) 4.297 1.070 ( -2.332 -2.041 0.000) 3.099 1.119 ( -8.242 -2.192 0.000) 8.529 1.182 ( 0.787 -4.266 0.000) 4.338 1.269 ( -3.016 -5.126 0.000) 5.948 1.445 ( -4.386 -0.605 0.000) 4.427 1.520 ( 0.926 1.349 0.000) 1.636 1.573 ( 1.191 0.228 0.000) 1.212 1.696 ( -6.451 2.995 0.000) 7.112 1.769 ( -5.940 4.666 0.000) 7.554 1.806 ( -3.985 1.914 0.000) 4.421 1.934 ( -0.194 1.956 0.000) 1.966 2.045 ( 1.959 0.374 0.000) 1.994 2.170 ( -17.704 1.279 0.000) 17.750 2.248 ( -18.891 -0.755 0.000) 18.906 2.943 ( 1.376 0.653 0.000) 1.523 3.391 ( 3.260 0.153 0.000) 3.263 3.628 ( -2.931 0.007 0.000) 2.931 3.680 ( 1.886 0.232 0.000) 1.901 3.683 ( -2.922 0.585 0.000) 2.980 3.797 ( -7.557 -0.007 0.000) 7.557 3.963 ( 6.052 0.668 0.000) 6.089 3.991 ( 2.866 0.150 0.000) 2.870 4.091 ( 3.831 0.245 0.000) 3.839 4.165 ( -3.445 -0.726 0.000) 3.521 4.420 ( -1.538 -0.303 0.000) 1.568 4.533 ( -4.747 0.348 0.000) 4.760 4.718 ( 0.080 -0.102 0.000) 0.130 4.797 ( -0.503 -0.298 0.000) 0.585 4.850 ( -3.609 -7.489 0.000) 8.313 5.135 ( 0.683 -1.385 0.000) 1.544 5.368 ( 7.440 0.764 0.000) 7.479 5.563 ( 0.905 0.485 0.000) 1.026 5.624 ( 1.030 -0.695 0.000) 1.243 ======================= Grid point 33 (25/129) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -8.543 3.251 0.000) 9.140 0.689 ( -12.829 4.248 0.000) 13.514 0.992 ( -5.046 -2.303 0.000) 5.547 0.997 ( -3.070 0.340 0.000) 3.088 1.080 ( -0.091 -4.776 0.000) 4.777 1.147 ( -7.629 -1.663 0.000) 7.808 1.249 ( -1.922 -0.192 0.000) 1.931 1.380 ( -2.776 -2.585 0.000) 3.794 1.529 ( 0.261 0.928 0.000) 0.964 1.531 ( -7.757 2.054 0.000) 8.024 1.578 ( -1.339 0.824 0.000) 1.572 1.587 ( -7.539 2.572 0.000) 7.966 1.734 ( -9.328 0.661 0.000) 9.351 1.831 ( -6.391 -2.358 0.000) 6.812 1.893 ( -15.594 -1.116 0.000) 15.634 1.969 ( 0.772 1.462 0.000) 1.654 2.075 ( 0.934 0.154 0.000) 0.947 2.967 ( 1.651 0.983 0.000) 1.921 3.438 ( 1.556 0.044 0.000) 1.556 3.568 ( -2.943 -0.253 0.000) 2.954 3.590 ( -5.751 0.875 0.000) 5.817 3.602 ( -10.247 0.148 0.000) 10.248 3.741 ( 2.337 0.026 0.000) 2.338 3.994 ( 0.647 0.240 0.000) 0.690 4.064 ( -2.016 -2.139 0.000) 2.939 4.133 ( 0.656 0.141 0.000) 0.671 4.171 ( 4.284 0.471 0.000) 4.310 4.395 ( -2.293 -0.749 0.000) 2.412 4.457 ( -1.274 -0.074 0.000) 1.276 4.690 ( -6.755 -6.468 0.000) 9.352 4.790 ( -0.370 -0.688 0.000) 0.781 4.806 ( -2.871 -7.712 0.000) 8.229 5.175 ( 2.426 -0.477 0.000) 2.473 5.523 ( 9.206 2.363 0.000) 9.504 5.559 ( -0.803 -1.339 0.000) 1.561 5.673 ( 3.242 1.405 0.000) 3.533 ======================= Grid point 34 (26/129) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -4.384 10.740 0.000) 11.600 0.397 ( -13.703 4.888 0.000) 14.548 0.780 ( -16.645 10.721 0.000) 19.799 0.913 ( -3.718 -1.587 0.000) 4.042 1.033 ( -0.830 1.538 0.000) 1.747 1.132 ( 2.565 -5.506 0.000) 6.074 1.158 ( -5.521 3.874 0.000) 6.745 1.355 ( -3.252 -3.563 0.000) 4.824 1.418 ( -2.808 -0.909 0.000) 2.952 1.423 ( -10.814 -0.711 0.000) 10.838 1.473 ( -3.863 -1.388 0.000) 4.105 1.536 ( -6.370 -0.785 0.000) 6.419 1.549 ( 0.203 0.683 0.000) 0.713 1.734 ( -1.969 0.192 0.000) 1.978 1.824 ( 0.606 -3.403 0.000) 3.457 2.046 ( 8.494 1.276 0.000) 8.589 2.089 ( 0.508 -0.037 0.000) 0.509 2.997 ( 1.778 0.977 0.000) 2.028 3.406 ( -8.385 0.169 0.000) 8.387 3.450 ( -0.128 0.071 0.000) 0.146 3.472 ( -5.233 0.267 0.000) 5.240 3.529 ( -1.255 -0.719 0.000) 1.447 3.783 ( 1.629 -0.034 0.000) 1.629 3.901 ( -15.409 -9.837 0.000) 18.281 4.064 ( 1.132 -1.262 0.000) 1.695 4.114 ( -1.849 0.461 0.000) 1.905 4.239 ( 2.677 0.569 0.000) 2.737 4.303 ( -12.995 -6.197 0.000) 14.397 4.389 ( -8.047 -2.728 0.000) 8.497 4.592 ( -1.975 -6.815 0.000) 7.095 4.792 ( 0.015 -1.016 0.000) 1.016 4.829 ( 1.461 -1.935 0.000) 2.425 5.220 ( 1.757 -0.003 0.000) 1.757 5.556 ( -0.385 -1.829 0.000) 1.869 5.696 ( 9.798 3.329 0.000) 10.348 5.718 ( 2.155 2.236 0.000) 3.106 ======================= Grid point 35 (27/129) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.179 ( -0.000 8.012 0.000) 8.012 0.305 ( -0.000 13.685 0.000) 13.685 0.447 ( -0.000 20.217 0.000) 20.217 0.881 ( 0.000 -1.028 0.000) 1.028 1.040 ( -0.000 3.733 0.000) 3.733 1.052 ( -0.000 2.109 0.000) 2.109 1.230 ( 0.000 -6.674 0.000) 6.674 1.266 ( 0.000 -0.130 0.000) 0.130 1.302 ( 0.000 -1.503 0.000) 1.503 1.444 ( 0.000 -1.613 0.000) 1.613 1.444 ( 0.000 -2.409 0.000) 2.409 1.476 ( 0.000 -1.171 0.000) 1.171 1.549 ( -0.000 0.708 0.000) 0.708 1.721 ( -0.000 0.848 0.000) 0.848 1.853 ( 0.000 -3.766 0.000) 3.766 2.095 ( 0.000 -0.118 0.000) 0.118 2.331 ( 0.000 -5.580 0.000) 5.580 3.014 ( -0.000 0.843 0.000) 0.843 3.316 ( -0.000 0.194 0.000) 0.194 3.330 ( -0.000 0.238 0.000) 0.238 3.416 ( 0.000 -0.114 0.000) 0.114 3.446 ( -0.000 0.072 0.000) 0.072 3.523 ( 0.000 -0.839 0.000) 0.839 3.800 ( 0.000 -0.067 0.000) 0.067 4.079 ( -0.000 0.275 0.000) 0.275 4.087 ( -0.000 0.242 0.000) 0.242 4.109 ( -0.000 0.579 0.000) 0.579 4.263 ( -0.000 0.541 0.000) 0.541 4.340 ( -0.000 0.687 0.000) 0.687 4.614 ( 0.000 -3.345 0.000) 3.345 4.798 ( 0.000 -1.033 0.000) 1.033 4.853 ( 0.000 -0.596 0.000) 0.596 5.237 ( -0.000 0.096 0.000) 0.096 5.563 ( 0.000 -1.966 0.000) 1.966 5.727 ( -0.000 2.461 0.000) 2.461 5.821 ( 0.000 -0.088 0.000) 0.088 ======================= Grid point 40 (28/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -2.306 0.000 0.000) 2.306 0.982 ( -3.997 0.000 0.000) 3.997 1.004 ( 2.230 -0.000 0.000) 2.230 1.124 ( -5.428 0.000 0.000) 5.428 1.150 ( -3.473 0.000 0.000) 3.473 1.455 ( 1.093 -0.000 0.000) 1.093 1.463 ( -0.407 0.000 0.000) 0.407 1.472 ( -3.810 0.000 0.000) 3.810 1.591 ( -0.251 0.000 0.000) 0.251 1.687 ( -0.374 0.000 0.000) 0.374 1.747 ( 4.215 -0.000 0.000) 4.215 1.783 ( 3.603 -0.000 0.000) 3.603 1.808 ( 0.787 -0.000 0.000) 0.787 1.959 ( 2.073 -0.000 0.000) 2.073 1.967 ( 1.946 -0.000 0.000) 1.946 2.740 ( 0.905 -0.000 0.000) 0.905 2.847 ( 0.031 -0.000 0.000) 0.031 2.876 ( -0.336 0.000 0.000) 0.336 3.244 ( 0.119 -0.000 0.000) 0.119 3.538 ( 0.637 -0.000 0.000) 0.637 3.696 ( -0.021 0.000 0.000) 0.021 3.762 ( -0.018 0.000 0.000) 0.018 3.832 ( -0.295 0.000 0.000) 0.295 3.936 ( 0.032 -0.000 0.000) 0.032 4.018 ( 0.027 -0.000 0.000) 0.027 4.208 ( -0.341 0.000 0.000) 0.341 4.284 ( 0.746 -0.000 0.000) 0.746 4.450 ( 0.149 -0.000 0.000) 0.149 4.604 ( 0.205 -0.000 0.000) 0.205 4.736 ( -0.151 0.000 0.000) 0.151 4.796 ( 0.033 -0.000 0.000) 0.033 4.803 ( -1.374 0.000 0.000) 1.374 5.125 ( 0.339 -0.000 0.000) 0.339 5.205 ( -1.686 0.000 0.000) 1.686 5.458 ( 0.517 -0.000 0.000) 0.517 5.672 ( -0.687 0.000 0.000) 0.687 ======================= Grid point 41 (29/129) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -1.927 -0.310 0.000) 1.952 0.946 ( -1.194 -0.122 0.000) 1.200 0.996 ( -7.079 -1.298 0.000) 7.197 1.054 ( 2.442 0.090 0.000) 2.444 1.109 ( -1.296 -0.864 0.000) 1.558 1.389 ( -4.845 -0.809 0.000) 4.912 1.436 ( -3.106 0.018 0.000) 3.106 1.484 ( 1.835 0.187 0.000) 1.844 1.573 ( -1.764 -0.400 0.000) 1.809 1.597 ( -5.188 -0.060 0.000) 5.188 1.811 ( 2.237 3.092 0.000) 3.816 1.838 ( 1.929 -1.821 0.000) 2.653 1.900 ( 5.678 0.108 0.000) 5.679 1.970 ( 0.437 2.994 0.000) 3.025 2.001 ( 0.102 -1.811 0.000) 1.814 2.693 ( -5.762 0.444 0.000) 5.779 2.786 ( -6.600 -0.008 0.000) 6.600 2.886 ( 1.176 -0.190 0.000) 1.192 3.266 ( 2.113 0.027 0.000) 2.113 3.587 ( 4.254 0.074 0.000) 4.255 3.693 ( -0.429 0.019 0.000) 0.429 3.710 ( -3.691 -0.013 0.000) 3.691 3.821 ( -0.504 0.010 0.000) 0.504 3.945 ( -0.039 0.007 0.000) 0.040 4.019 ( 0.244 0.006 0.000) 0.244 4.128 ( -5.980 0.005 0.000) 5.980 4.279 ( -1.667 0.053 0.000) 1.667 4.453 ( 0.017 0.010 0.000) 0.019 4.630 ( 1.121 0.062 0.000) 1.122 4.727 ( -0.646 -0.035 0.000) 0.646 4.793 ( 0.508 -0.375 0.000) 0.631 4.800 ( 0.258 0.004 0.000) 0.258 5.155 ( 2.303 0.612 0.000) 2.383 5.172 ( -1.369 -0.912 0.000) 1.645 5.482 ( 2.028 0.147 0.000) 2.033 5.652 ( -1.383 -0.188 0.000) 1.396 ======================= Grid point 42 (30/129) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -6.797 -1.115 0.000) 6.888 0.922 ( 0.296 -4.079 0.000) 4.090 0.933 ( -0.312 -0.137 0.000) 0.341 1.080 ( -0.034 -0.073 0.000) 0.081 1.112 ( 0.751 -2.035 0.000) 2.169 1.296 ( -5.235 -1.814 0.000) 5.541 1.305 ( -9.827 -0.091 0.000) 9.828 1.519 ( 1.748 0.997 0.000) 2.013 1.523 ( -3.611 -0.279 0.000) 3.622 1.550 ( -0.055 -0.475 0.000) 0.478 1.806 ( -1.258 2.130 0.000) 2.473 1.853 ( -1.108 0.447 0.000) 1.195 1.946 ( -2.513 1.385 0.000) 2.870 1.980 ( -1.519 1.851 0.000) 2.394 1.994 ( 3.882 0.245 0.000) 3.890 2.504 ( -13.350 0.824 0.000) 13.375 2.578 ( -14.659 -0.162 0.000) 14.660 2.917 ( 1.799 0.047 0.000) 1.800 3.323 ( 3.583 0.095 0.000) 3.584 3.664 ( -0.555 0.111 0.000) 0.566 3.674 ( -1.612 -0.011 0.000) 1.612 3.684 ( 4.048 0.133 0.000) 4.050 3.835 ( 3.412 0.218 0.000) 3.419 3.910 ( -3.757 0.013 0.000) 3.757 4.024 ( -3.923 0.083 0.000) 3.924 4.036 ( 1.808 0.039 0.000) 1.809 4.228 ( -3.290 -0.054 0.000) 3.290 4.445 ( -0.978 -0.025 0.000) 0.979 4.613 ( -2.720 0.098 0.000) 2.722 4.718 ( -0.248 -0.078 0.000) 0.260 4.802 ( -0.124 -0.034 0.000) 0.128 4.816 ( 0.166 -1.737 0.000) 1.745 5.130 ( -1.797 -0.593 0.000) 1.892 5.242 ( 5.477 -0.258 0.000) 5.484 5.532 ( 3.163 0.697 0.000) 3.239 5.621 ( -1.930 -0.831 0.000) 2.102 ======================= Grid point 43 (31/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -6.025 1.482 0.000) 6.205 0.917 ( -2.269 2.250 0.000) 3.196 0.967 ( 0.819 -5.776 0.000) 5.834 1.051 ( -3.277 -1.432 0.000) 3.576 1.096 ( -10.376 -2.093 0.000) 10.585 1.147 ( 0.783 -2.208 0.000) 2.342 1.219 ( -3.307 -4.084 0.000) 5.255 1.442 ( -4.380 -0.066 0.000) 4.381 1.536 ( 0.897 1.487 0.000) 1.737 1.572 ( 1.395 -0.360 0.000) 1.440 1.725 ( -5.913 2.362 0.000) 6.367 1.812 ( -2.530 2.726 0.000) 3.720 1.823 ( -7.706 1.936 0.000) 7.945 1.947 ( -2.135 0.600 0.000) 2.217 2.049 ( 1.926 0.309 0.000) 1.951 2.183 ( -17.742 1.093 0.000) 17.775 2.241 ( -19.159 -0.584 0.000) 19.168 2.949 ( 1.591 0.478 0.000) 1.661 3.392 ( 3.209 0.109 0.000) 3.211 3.628 ( -2.992 0.006 0.000) 2.992 3.683 ( 1.925 0.170 0.000) 1.932 3.688 ( -2.636 0.480 0.000) 2.679 3.797 ( -7.604 -0.006 0.000) 7.604 3.972 ( 6.189 1.023 0.000) 6.273 3.991 ( 3.065 -0.074 0.000) 3.066 4.093 ( 3.936 0.178 0.000) 3.940 4.158 ( -4.054 -0.699 0.000) 4.114 4.417 ( -1.734 -0.195 0.000) 1.745 4.536 ( -4.731 0.127 0.000) 4.733 4.718 ( -0.373 0.000 0.000) 0.373 4.778 ( -5.864 -5.736 0.000) 8.203 4.795 ( -0.656 -0.221 0.000) 0.692 5.125 ( 1.219 -0.666 0.000) 1.389 5.373 ( 7.896 0.324 0.000) 7.902 5.569 ( -0.574 0.463 0.000) 0.738 5.617 ( 2.592 -0.613 0.000) 2.663 ======================= Grid point 44 (32/129) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -3.790 7.415 0.000) 8.327 0.736 ( -12.789 4.550 0.000) 13.575 0.967 ( -4.752 -2.221 0.000) 5.246 0.989 ( -1.136 -2.243 0.000) 2.514 1.029 ( -0.738 -4.790 0.000) 4.847 1.120 ( -4.433 -2.752 0.000) 5.218 1.230 ( 0.405 -3.147 0.000) 3.173 1.366 ( -3.347 -0.226 0.000) 3.355 1.541 ( 0.106 1.343 0.000) 1.347 1.561 ( -9.109 3.296 0.000) 9.687 1.583 ( -1.403 0.140 0.000) 1.410 1.618 ( -9.295 3.185 0.000) 9.826 1.740 ( -11.149 0.478 0.000) 11.159 1.805 ( -6.219 -2.370 0.000) 6.656 1.882 ( -15.668 -0.979 0.000) 15.699 1.979 ( -0.678 0.490 0.000) 0.836 2.076 ( 0.867 0.093 0.000) 0.872 2.977 ( 1.708 0.827 0.000) 1.898 3.438 ( 1.510 0.023 0.000) 1.510 3.566 ( -3.128 -0.201 0.000) 3.134 3.600 ( -5.746 0.940 0.000) 5.822 3.603 ( -10.299 0.114 0.000) 10.299 3.741 ( 2.345 0.035 0.000) 2.345 3.999 ( -0.255 0.620 0.000) 0.670 4.041 ( -4.380 -2.072 0.000) 4.845 4.134 ( 1.903 0.146 0.000) 1.909 4.176 ( 4.369 0.398 0.000) 4.387 4.389 ( -1.992 -0.331 0.000) 2.020 4.454 ( -2.344 -0.403 0.000) 2.378 4.594 ( -12.977 -9.755 0.000) 16.235 4.768 ( 1.851 -1.229 0.000) 2.222 4.783 ( -0.589 -0.610 0.000) 0.847 5.171 ( 2.762 -0.255 0.000) 2.773 5.542 ( 9.583 1.232 0.000) 9.662 5.548 ( -1.104 -0.918 0.000) 1.436 5.685 ( 3.740 0.990 0.000) 3.869 ======================= Grid point 45 (33/129) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -12.860 4.901 0.000) 13.763 0.515 ( -1.034 12.874 0.000) 12.916 0.874 ( -11.027 6.647 0.000) 12.875 0.893 ( -3.629 -2.229 0.000) 4.259 1.055 ( 0.274 2.636 0.000) 2.650 1.074 ( 2.369 -5.314 0.000) 5.818 1.195 ( -4.466 2.977 0.000) 5.367 1.318 ( -2.836 -3.130 0.000) 4.224 1.407 ( -4.050 -1.226 0.000) 4.232 1.417 ( -11.545 -0.466 0.000) 11.554 1.458 ( -5.865 -1.259 0.000) 5.999 1.530 ( -6.437 -0.303 0.000) 6.445 1.557 ( 0.226 0.873 0.000) 0.902 1.733 ( -1.471 -0.324 0.000) 1.506 1.787 ( -0.172 -3.399 0.000) 3.403 2.046 ( 7.958 -1.011 0.000) 8.022 2.089 ( 0.429 -0.029 0.000) 0.430 3.007 ( 1.742 0.926 0.000) 1.973 3.408 ( -8.344 0.169 0.000) 8.346 3.451 ( -0.093 0.046 0.000) 0.104 3.476 ( -5.686 0.462 0.000) 5.705 3.521 ( -1.498 -0.695 0.000) 1.652 3.783 ( 1.593 -0.025 0.000) 1.593 3.792 ( -23.156 -9.919 0.000) 25.191 4.057 ( 1.897 -0.266 0.000) 1.916 4.120 ( -2.062 0.533 0.000) 2.130 4.245 ( 2.704 0.545 0.000) 2.758 4.254 ( -12.650 -2.801 0.000) 12.956 4.380 ( -3.501 0.019 0.000) 3.501 4.527 ( 1.254 -5.666 0.000) 5.803 4.781 ( -0.147 -1.046 0.000) 1.056 4.819 ( 2.425 -0.440 0.000) 2.464 5.220 ( 1.882 0.019 0.000) 1.882 5.539 ( -0.428 -1.380 0.000) 1.445 5.720 ( 8.747 1.444 0.000) 8.866 5.740 ( 2.368 1.819 0.000) 2.986 ======================= Grid point 46 (34/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.259 ( -0.000 6.985 0.000) 6.985 0.442 ( -0.000 12.027 0.000) 12.027 0.650 ( -0.000 18.033 0.000) 18.033 0.866 ( 0.000 -1.855 0.000) 1.855 1.078 ( -0.000 2.881 0.000) 2.881 1.086 ( -0.000 4.805 0.000) 4.805 1.158 ( 0.000 -6.774 0.000) 6.774 1.264 ( 0.000 -0.151 0.000) 0.151 1.282 ( 0.000 -2.287 0.000) 2.287 1.414 ( 0.000 -3.410 0.000) 3.410 1.419 ( 0.000 -2.929 0.000) 2.929 1.466 ( 0.000 -0.602 0.000) 0.602 1.556 ( -0.000 0.781 0.000) 0.781 1.727 ( -0.000 0.278 0.000) 0.278 1.809 ( 0.000 -4.246 0.000) 4.246 2.093 ( 0.000 -0.112 0.000) 0.112 2.262 ( 0.000 -7.238 0.000) 7.238 3.024 ( -0.000 0.921 0.000) 0.921 3.318 ( -0.000 0.225 0.000) 0.225 3.333 ( -0.000 0.285 0.000) 0.285 3.415 ( 0.000 -0.140 0.000) 0.140 3.447 ( -0.000 0.081 0.000) 0.081 3.513 ( 0.000 -0.964 0.000) 0.964 3.799 ( 0.000 -0.068 0.000) 0.068 4.083 ( -0.000 0.331 0.000) 0.331 4.090 ( -0.000 0.263 0.000) 0.263 4.118 ( -0.000 1.042 0.000) 1.042 4.269 ( -0.000 0.596 0.000) 0.596 4.348 ( -0.000 0.886 0.000) 0.886 4.571 ( 0.000 -4.635 0.000) 4.635 4.786 ( 0.000 -1.229 0.000) 1.229 4.848 ( 0.000 -0.411 0.000) 0.411 5.238 ( -0.000 0.116 0.000) 0.116 5.543 ( 0.000 -1.654 0.000) 1.654 5.752 ( -0.000 2.264 0.000) 2.264 5.820 ( 0.000 -0.102 0.000) 0.102 ======================= Grid point 53 (35/129) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -6.289 0.000 0.000) 6.289 0.898 ( -0.315 0.000 0.000) 0.315 0.933 ( -0.147 0.000 0.000) 0.147 1.080 ( -0.225 0.000 0.000) 0.225 1.101 ( 0.820 -0.000 0.000) 0.820 1.286 ( -5.373 0.000 0.000) 5.373 1.305 ( -9.929 0.000 0.000) 9.929 1.521 ( -3.501 0.000 0.000) 3.501 1.525 ( 2.127 -0.000 0.000) 2.127 1.547 ( -0.352 0.000 0.000) 0.352 1.818 ( -2.072 0.000 0.000) 2.072 1.855 ( -0.051 0.000 0.000) 0.051 1.953 ( -3.177 0.000 0.000) 3.177 1.990 ( -1.048 0.000 0.000) 1.048 1.995 ( 3.880 -0.000 0.000) 3.880 2.508 ( -13.334 0.000 0.000) 13.334 2.577 ( -14.717 0.000 0.000) 14.717 2.918 ( 1.893 -0.000 0.000) 1.893 3.323 ( 3.588 -0.000 0.000) 3.588 3.665 ( -0.529 0.000 0.000) 0.529 3.674 ( -1.615 0.000 0.000) 1.615 3.685 ( 4.049 -0.000 0.000) 4.049 3.836 ( 3.506 -0.000 0.000) 3.506 3.910 ( -3.758 0.000 0.000) 3.758 4.024 ( -3.911 0.000 0.000) 3.911 4.036 ( 1.823 -0.000 0.000) 1.823 4.228 ( -3.354 0.000 0.000) 3.354 4.445 ( -0.997 0.000 0.000) 0.997 4.613 ( -2.749 0.000 0.000) 2.749 4.717 ( -0.207 0.000 0.000) 0.207 4.802 ( -0.145 0.000 0.000) 0.145 4.806 ( -0.295 0.000 0.000) 0.295 5.126 ( -1.905 0.000 0.000) 1.905 5.241 ( 5.627 -0.000 0.000) 5.627 5.536 ( 3.373 -0.000 0.000) 3.373 5.617 ( -2.147 0.000 0.000) 2.147 ======================= Grid point 55 (36/129) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -3.318 2.036 0.000) 3.893 0.912 ( 0.586 -3.630 0.000) 3.677 0.935 ( 0.168 1.012 0.000) 1.025 1.041 ( -3.820 -0.516 0.000) 3.854 1.079 ( -12.609 -0.958 0.000) 12.645 1.134 ( 1.878 -0.423 0.000) 1.925 1.188 ( -4.634 -1.696 0.000) 4.934 1.442 ( -4.272 0.015 0.000) 4.272 1.550 ( 0.835 1.129 0.000) 1.404 1.566 ( 1.554 -0.722 0.000) 1.713 1.743 ( -5.380 0.922 0.000) 5.459 1.824 ( -3.251 0.315 0.000) 3.266 1.846 ( -7.052 1.408 0.000) 7.191 1.949 ( -3.413 -0.003 0.000) 3.413 2.051 ( 1.941 0.121 0.000) 1.944 2.191 ( -17.764 0.428 0.000) 17.769 2.236 ( -19.346 -0.221 0.000) 19.347 2.953 ( 1.711 0.175 0.000) 1.720 3.393 ( 3.179 0.039 0.000) 3.179 3.628 ( -3.027 0.002 0.000) 3.027 3.684 ( 1.946 0.062 0.000) 1.947 3.692 ( -2.457 0.186 0.000) 2.464 3.797 ( -7.630 -0.002 0.000) 7.630 3.982 ( 6.728 0.841 0.000) 6.780 3.989 ( 3.032 -0.383 0.000) 3.056 4.094 ( 3.995 0.065 0.000) 3.995 4.152 ( -4.640 -0.318 0.000) 4.651 4.415 ( -1.833 -0.064 0.000) 1.834 4.536 ( -4.785 -0.005 0.000) 4.785 4.720 ( -2.265 0.481 0.000) 2.316 4.734 ( -5.396 -2.591 0.000) 5.986 4.793 ( -0.745 -0.081 0.000) 0.749 5.120 ( 1.451 -0.203 0.000) 1.465 5.375 ( 8.115 0.086 0.000) 8.115 5.572 ( -1.940 0.212 0.000) 1.951 5.612 ( 4.006 -0.266 0.000) 4.015 ======================= Grid point 56 (37/129) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.240 8.725 0.000) 8.728 0.780 ( -13.583 3.545 0.000) 14.038 0.943 ( -0.746 -6.162 0.000) 6.207 0.949 ( -4.407 -1.089 0.000) 4.540 0.982 ( -0.567 -3.893 0.000) 3.934 1.104 ( -2.647 -0.160 0.000) 2.652 1.194 ( 1.280 -3.284 0.000) 3.525 1.368 ( -3.084 0.335 0.000) 3.102 1.556 ( -0.012 1.394 0.000) 1.394 1.581 ( -1.376 -0.541 0.000) 1.479 1.593 ( -9.476 2.602 0.000) 9.827 1.647 ( -10.393 1.987 0.000) 10.581 1.745 ( -13.659 0.378 0.000) 13.664 1.783 ( -4.835 -1.639 0.000) 5.105 1.874 ( -15.841 -0.575 0.000) 15.852 1.980 ( -1.807 -0.085 0.000) 1.810 2.077 ( 0.849 0.038 0.000) 0.850 2.984 ( 1.741 0.467 0.000) 1.802 3.439 ( 1.469 0.007 0.000) 1.469 3.564 ( -3.252 -0.109 0.000) 3.254 3.604 ( -10.334 0.060 0.000) 10.334 3.608 ( -5.666 0.640 0.000) 5.702 3.742 ( 2.346 0.025 0.000) 2.346 4.005 ( -2.195 0.574 0.000) 2.269 4.023 ( -5.488 -1.277 0.000) 5.634 4.136 ( 3.198 0.127 0.000) 3.201 4.180 ( 4.427 0.225 0.000) 4.433 4.389 ( -1.170 0.219 0.000) 1.191 4.447 ( -3.644 -1.211 0.000) 3.840 4.511 ( -13.762 -5.305 0.000) 14.749 4.762 ( 2.535 -0.216 0.000) 2.544 4.778 ( -0.753 -0.358 0.000) 0.834 5.169 ( 2.920 -0.126 0.000) 2.923 5.540 ( -1.280 -0.463 0.000) 1.362 5.551 ( 9.747 0.519 0.000) 9.761 5.693 ( 4.065 0.511 0.000) 4.097 ======================= Grid point 57 (38/129) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -12.504 3.721 0.000) 13.046 0.648 ( -1.252 12.099 0.000) 12.164 0.869 ( -3.760 -2.181 0.000) 4.347 0.913 ( -4.025 0.534 0.000) 4.060 1.025 ( 2.401 -3.740 0.000) 4.445 1.086 ( 1.624 3.016 0.000) 3.426 1.211 ( -1.521 -0.477 0.000) 1.594 1.301 ( -4.315 0.374 0.000) 4.331 1.392 ( -6.464 -1.827 0.000) 6.717 1.413 ( -11.951 -0.253 0.000) 11.953 1.450 ( -7.987 -0.184 0.000) 7.989 1.530 ( -6.564 0.165 0.000) 6.566 1.567 ( 0.243 0.858 0.000) 0.892 1.728 ( -1.202 -0.587 0.000) 1.338 1.755 ( -0.713 -2.486 0.000) 2.587 2.029 ( 6.224 -2.016 0.000) 6.542 2.088 ( 0.372 -0.018 0.000) 0.373 3.016 ( 1.706 0.648 0.000) 1.825 3.409 ( -8.311 0.124 0.000) 8.312 3.451 ( -0.046 0.013 0.000) 0.048 3.482 ( -6.137 0.576 0.000) 6.164 3.515 ( -1.720 -0.488 0.000) 1.788 3.705 ( -24.423 -6.386 0.000) 25.244 3.782 ( 1.560 -0.013 0.000) 1.560 4.057 ( 2.190 0.156 0.000) 2.196 4.125 ( -2.360 0.496 0.000) 2.412 4.237 ( -9.725 -0.763 0.000) 9.755 4.250 ( 2.722 0.385 0.000) 2.749 4.383 ( -2.240 0.571 0.000) 2.312 4.472 ( 1.995 -4.627 0.000) 5.039 4.771 ( -0.293 -0.784 0.000) 0.837 4.816 ( 2.549 -0.077 0.000) 2.550 5.220 ( 1.974 0.016 0.000) 1.974 5.527 ( -0.459 -0.835 0.000) 0.953 5.730 ( 8.124 0.608 0.000) 8.146 5.756 ( 2.550 1.176 0.000) 2.808 ======================= Grid point 58 (39/129) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( -0.000 5.330 0.000) 5.330 0.555 ( -0.000 9.361 0.000) 9.361 0.822 ( -0.000 14.327 0.000) 14.327 0.842 ( 0.000 -2.463 0.000) 2.463 1.094 ( 0.000 -5.143 0.000) 5.143 1.111 ( -0.000 3.348 0.000) 3.348 1.139 ( -0.000 5.107 0.000) 5.107 1.255 ( 0.000 -2.928 0.000) 2.928 1.263 ( 0.000 -0.130 0.000) 0.130 1.374 ( 0.000 -4.117 0.000) 4.117 1.386 ( 0.000 -3.218 0.000) 3.218 1.462 ( 0.000 -0.272 0.000) 0.272 1.565 ( -0.000 0.873 0.000) 0.873 1.727 ( 0.000 -0.324 0.000) 0.324 1.767 ( 0.000 -3.477 0.000) 3.477 2.092 ( 0.000 -0.079 0.000) 0.079 2.184 ( 0.000 -7.307 0.000) 7.307 3.033 ( -0.000 0.757 0.000) 0.757 3.320 ( -0.000 0.197 0.000) 0.197 3.336 ( -0.000 0.258 0.000) 0.258 3.414 ( 0.000 -0.131 0.000) 0.131 3.447 ( -0.000 0.068 0.000) 0.068 3.503 ( 0.000 -0.831 0.000) 0.831 3.798 ( 0.000 -0.052 0.000) 0.052 4.086 ( -0.000 0.303 0.000) 0.303 4.093 ( -0.000 0.209 0.000) 0.209 4.131 ( -0.000 1.391 0.000) 1.391 4.275 ( -0.000 0.492 0.000) 0.492 4.359 ( -0.000 1.023 0.000) 1.023 4.519 ( 0.000 -4.953 0.000) 4.953 4.773 ( 0.000 -1.094 0.000) 1.094 4.845 ( 0.000 -0.185 0.000) 0.185 5.239 ( -0.000 0.106 0.000) 0.106 5.528 ( 0.000 -1.131 0.000) 1.131 5.774 ( -0.000 1.691 0.000) 1.691 5.819 ( 0.000 -0.088 0.000) 0.088 ======================= Grid point 67 (40/129) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 3.214 -0.000 0.000) 3.214 0.801 ( -14.586 0.000 0.000) 14.586 0.893 ( -2.286 0.000 0.000) 2.286 0.946 ( -5.446 0.000 0.000) 5.446 0.956 ( 1.360 -0.000 0.000) 1.360 1.106 ( -2.116 0.000 0.000) 2.116 1.173 ( 1.543 -0.000 0.000) 1.543 1.370 ( -2.902 0.000 0.000) 2.902 1.567 ( 0.558 -0.000 0.000) 0.558 1.574 ( -1.958 0.000 0.000) 1.958 1.609 ( -9.468 0.000 0.000) 9.468 1.657 ( -10.709 0.000 0.000) 10.709 1.747 ( -16.019 0.000 0.000) 16.019 1.774 ( -2.909 0.000 0.000) 2.909 1.870 ( -15.931 0.000 0.000) 15.931 1.980 ( -2.254 0.000 0.000) 2.254 2.077 ( 0.848 -0.000 0.000) 0.848 2.987 ( 1.751 -0.000 0.000) 1.751 3.439 ( 1.452 -0.000 0.000) 1.452 3.564 ( -3.295 0.000 0.000) 3.295 3.604 ( -10.346 0.000 0.000) 10.346 3.612 ( -5.611 0.000 0.000) 5.611 3.742 ( 2.346 -0.000 0.000) 2.346 4.009 ( -5.614 0.000 0.000) 5.614 4.016 ( -3.406 0.000 0.000) 3.406 4.136 ( 3.847 -0.000 0.000) 3.847 4.181 ( 4.447 -0.000 0.000) 4.447 4.392 ( 0.284 -0.000 0.000) 0.284 4.435 ( -6.813 0.000 0.000) 6.813 4.485 ( -12.212 0.000 0.000) 12.212 4.761 ( 2.646 -0.000 0.000) 2.646 4.776 ( -0.814 0.000 0.000) 0.814 5.169 ( 2.969 -0.000 0.000) 2.969 5.538 ( -1.337 0.000 0.000) 1.337 5.553 ( 9.794 -0.000 0.000) 9.794 5.696 ( 4.178 -0.000 0.000) 4.178 ======================= Grid point 69 (41/129) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -12.469 1.416 0.000) 12.549 0.758 ( -5.792 7.550 0.000) 9.515 0.851 ( -3.973 -0.934 0.000) 4.081 0.892 ( 4.315 -3.393 0.000) 5.489 0.998 ( 2.608 -1.345 0.000) 2.935 1.115 ( 2.867 2.044 0.000) 3.521 1.193 ( 0.032 -1.807 0.000) 1.807 1.319 ( -3.337 2.005 0.000) 3.893 1.371 ( -10.231 -1.791 0.000) 10.386 1.411 ( -12.133 -0.079 0.000) 12.134 1.452 ( -9.221 0.243 0.000) 9.224 1.532 ( -6.787 0.153 0.000) 6.788 1.574 ( 0.271 0.382 0.000) 0.469 1.722 ( -1.111 -0.303 0.000) 1.152 1.737 ( -0.909 -0.891 0.000) 1.273 2.011 ( 4.829 -1.032 0.000) 4.938 2.088 ( 0.345 -0.006 0.000) 0.345 3.021 ( 1.684 0.231 0.000) 1.700 3.410 ( -8.294 0.046 0.000) 8.294 3.451 ( -0.012 -0.001 0.000) 0.012 3.487 ( -6.381 0.309 0.000) 6.388 3.511 ( -1.852 -0.173 0.000) 1.860 3.659 ( -23.976 -2.206 0.000) 24.077 3.782 ( 1.541 -0.004 0.000) 1.541 4.058 ( 2.259 0.113 0.000) 2.262 4.129 ( -2.651 0.217 0.000) 2.659 4.234 ( -8.126 -0.089 0.000) 8.126 4.253 ( 2.732 0.138 0.000) 2.735 4.391 ( -1.797 0.761 0.000) 1.951 4.434 ( 2.092 -2.336 0.000) 3.135 4.765 ( -0.378 -0.291 0.000) 0.477 4.816 ( 2.552 -0.002 0.000) 2.552 5.220 ( 2.027 0.006 0.000) 2.027 5.521 ( -0.472 -0.277 0.000) 0.547 5.734 ( 7.849 0.168 0.000) 7.851 5.764 ( 2.652 0.406 0.000) 2.683 ======================= Grid point 70 (42/129) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( -0.000 2.943 0.000) 2.943 0.634 ( -0.000 5.320 0.000) 5.320 0.818 ( 0.000 -1.899 0.000) 1.899 0.944 ( -0.000 8.381 0.000) 8.381 1.052 ( 0.000 -2.649 0.000) 2.649 1.148 ( -0.000 3.437 0.000) 3.437 1.190 ( -0.000 4.331 0.000) 4.331 1.222 ( 0.000 -3.223 0.000) 3.223 1.261 ( 0.000 -0.075 0.000) 0.075 1.330 ( 0.000 -4.005 0.000) 4.005 1.356 ( 0.000 -2.211 0.000) 2.211 1.460 ( 0.000 -0.106 0.000) 0.106 1.574 ( -0.000 0.665 0.000) 0.665 1.722 ( 0.000 -0.450 0.000) 0.450 1.739 ( 0.000 -1.802 0.000) 1.802 2.092 ( 0.000 -0.039 0.000) 0.039 2.117 ( 0.000 -4.916 0.000) 4.916 3.039 ( -0.000 0.421 0.000) 0.421 3.322 ( -0.000 0.114 0.000) 0.114 3.338 ( -0.000 0.154 0.000) 0.154 3.412 ( 0.000 -0.080 0.000) 0.080 3.448 ( -0.000 0.039 0.000) 0.039 3.496 ( 0.000 -0.478 0.000) 0.478 3.798 ( 0.000 -0.028 0.000) 0.028 4.089 ( -0.000 0.186 0.000) 0.186 4.094 ( -0.000 0.109 0.000) 0.109 4.145 ( -0.000 1.128 0.000) 1.128 4.279 ( -0.000 0.274 0.000) 0.274 4.370 ( -0.000 1.048 0.000) 1.048 4.472 ( 0.000 -3.705 0.000) 3.705 4.764 ( 0.000 -0.644 0.000) 0.644 4.844 ( 0.000 -0.054 0.000) 0.054 5.240 ( -0.000 0.064 0.000) 0.064 5.520 ( 0.000 -0.563 0.000) 0.563 5.787 ( -0.000 0.899 0.000) 0.899 5.818 ( 0.000 -0.051 0.000) 0.051 ======================= Grid point 82 (43/129) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -0.000 0.000 0.000) 0.000 0.663 ( -0.000 0.000 0.000) 0.000 0.807 ( -0.000 0.000 0.000) 0.000 0.989 ( -0.000 0.000 0.000) 0.000 1.038 ( -0.000 0.000 0.000) 0.000 1.177 ( -0.000 0.000 0.000) 0.000 1.194 ( 0.000 -0.000 0.000) 0.000 1.218 ( -0.000 0.000 0.000) 0.000 1.261 ( -0.000 0.000 0.000) 0.000 1.303 ( -0.000 0.000 0.000) 0.000 1.343 ( -0.000 0.000 0.000) 0.000 1.460 ( -0.000 0.000 0.000) 0.000 1.577 ( -0.000 0.000 0.000) 0.000 1.719 ( -0.000 0.000 0.000) 0.000 1.730 ( -0.000 0.000 0.000) 0.000 2.089 ( -0.000 0.000 0.000) 0.000 2.091 ( -0.000 0.000 0.000) 0.000 3.041 ( -0.000 0.000 0.000) 0.000 3.323 ( -0.000 0.000 0.000) 0.000 3.339 ( -0.000 0.000 0.000) 0.000 3.412 ( -0.000 0.000 0.000) 0.000 3.448 ( -0.000 0.000 0.000) 0.000 3.494 ( -0.000 0.000 0.000) 0.000 3.798 ( -0.000 0.000 0.000) 0.000 4.090 ( -0.000 0.000 0.000) 0.000 4.095 ( -0.000 0.000 0.000) 0.000 4.151 ( -0.000 0.000 0.000) 0.000 4.281 ( -0.000 0.000 0.000) 0.000 4.377 ( -0.000 0.000 0.000) 0.000 4.450 ( -0.000 0.000 0.000) 0.000 4.761 ( -0.000 0.000 0.000) 0.000 4.843 ( -0.000 0.000 0.000) 0.000 5.241 ( -0.000 0.000 0.000) 0.000 5.517 ( -0.000 0.000 0.000) 0.000 5.792 ( -0.000 0.000 0.000) 0.000 5.818 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/129) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.179 ( 0.000 0.000 10.547) 10.547 0.304 ( 0.000 0.000 16.310) 16.310 0.559 ( 0.000 0.000 25.837) 25.837 0.817 ( 0.000 0.000 -6.376) 6.376 0.969 ( 0.000 0.000 -6.324) 6.324 1.083 ( 0.000 0.000 7.887) 7.887 1.246 ( 0.000 0.000 -6.025) 6.025 1.277 ( 0.000 0.000 0.866) 0.866 1.314 ( 0.000 0.000 -0.368) 0.368 1.462 ( 0.000 0.000 0.495) 0.495 1.476 ( 0.000 0.000 3.125) 3.125 1.491 ( 0.000 0.000 -0.295) 0.295 1.578 ( 0.000 0.000 -0.384) 0.384 1.671 ( 0.000 0.000 -3.975) 3.975 1.902 ( 0.000 0.000 0.706) 0.706 2.003 ( 0.000 0.000 -1.146) 1.146 2.183 ( 0.000 0.000 4.268) 4.268 2.880 ( 0.000 0.000 -12.840) 12.840 3.317 ( 0.000 0.000 0.320) 0.320 3.327 ( 0.000 0.000 -0.014) 0.014 3.418 ( 0.000 0.000 0.030) 0.030 3.441 ( 0.000 0.000 -0.467) 0.467 3.814 ( 0.000 0.000 1.510) 1.510 4.020 ( 0.000 0.000 -5.842) 5.842 4.076 ( 0.000 0.000 0.005) 0.005 4.083 ( 0.000 0.000 -0.160) 0.160 4.258 ( 0.000 0.000 4.119) 4.119 4.396 ( 0.000 0.000 6.556) 6.556 4.522 ( 0.000 0.000 -5.697) 5.697 4.736 ( 0.000 0.000 -2.430) 2.430 4.880 ( 0.000 0.000 5.641) 5.641 5.107 ( 0.000 0.000 -2.089) 2.089 5.243 ( 0.000 0.000 0.783) 0.783 5.426 ( 0.000 0.000 -6.456) 6.456 5.671 ( 0.000 0.000 4.840) 4.840 5.805 ( 0.000 0.000 -0.730) 0.730 ======================= Grid point 152 (45/129) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 12.758 -0.129 6.201) 14.186 0.466 ( 11.297 -3.268 10.618) 15.845 0.739 ( 12.839 -2.453 10.933) 17.041 0.879 ( 8.802 -0.472 0.534) 8.831 1.016 ( 3.919 -0.533 -6.416) 7.537 1.103 ( 2.027 -0.340 7.189) 7.477 1.210 ( -0.396 0.630 -1.368) 1.558 1.399 ( 6.678 0.218 -1.379) 6.822 1.410 ( 7.717 0.733 -0.476) 7.767 1.461 ( 1.354 0.746 1.192) 1.952 1.499 ( 2.405 0.192 0.905) 2.577 1.539 ( 5.325 0.423 -1.007) 5.436 1.544 ( -0.948 0.025 0.191) 0.968 1.697 ( 3.836 -0.344 -3.176) 4.992 1.878 ( -1.719 0.988 0.607) 2.073 1.977 ( -2.442 0.092 -1.259) 2.749 2.156 ( -1.480 -0.694 6.044) 6.261 2.867 ( -1.224 -0.484 -12.170) 12.241 3.406 ( 8.285 -0.063 0.243) 8.289 3.443 ( 2.664 -0.099 -1.103) 2.885 3.462 ( 4.170 0.017 -0.608) 4.214 3.472 ( 5.279 -0.070 -3.002) 6.073 3.797 ( -1.710 0.058 1.455) 2.246 3.970 ( -3.585 0.083 -3.777) 5.208 4.088 ( 1.760 0.719 0.376) 1.938 4.104 ( 1.605 -0.302 -0.134) 1.639 4.267 ( 0.330 0.436 2.801) 2.854 4.423 ( 1.436 -0.123 6.032) 6.202 4.491 ( -2.689 0.863 -4.360) 5.195 4.716 ( -1.096 1.168 -2.178) 2.703 4.870 ( -0.470 1.066 5.204) 5.333 5.077 ( 0.362 8.985 -1.253) 9.079 5.222 ( -1.444 0.003 0.230) 1.462 5.411 ( -2.245 -1.953 -6.865) 7.482 5.666 ( -1.041 -1.704 4.017) 4.486 5.736 ( -4.440 -0.533 3.016) 5.394 ======================= Grid point 153 (46/129) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 13.632 2.814 3.995) 14.481 0.702 ( 10.547 -2.566 6.342) 12.572 0.924 ( 7.176 -0.611 -3.548) 8.028 1.081 ( 1.908 0.474 -5.699) 6.029 1.155 ( 4.919 0.286 10.642) 11.728 1.168 ( 12.724 -0.899 2.806) 13.061 1.235 ( 3.029 -1.113 1.109) 3.413 1.445 ( 1.964 1.956 0.061) 2.773 1.517 ( 0.576 0.929 -0.626) 1.260 1.529 ( 5.353 0.908 -0.218) 5.434 1.541 ( 1.581 -0.729 -1.044) 2.030 1.554 ( 3.440 -0.791 -0.492) 3.564 1.725 ( 8.519 -0.040 0.920) 8.569 1.862 ( 4.668 1.152 -0.474) 4.832 1.899 ( 13.438 0.038 -1.187) 13.491 1.923 ( -0.240 -1.135 -0.725) 1.368 2.137 ( -0.901 -0.515 6.660) 6.740 2.848 ( -0.937 -0.755 -10.911) 10.977 3.460 ( -0.508 -0.196 2.191) 2.257 3.558 ( 4.960 -0.155 -1.596) 5.213 3.563 ( 3.866 -0.199 -0.872) 3.968 3.595 ( 9.760 -0.141 -0.455) 9.772 3.752 ( -2.660 0.072 1.098) 2.879 3.907 ( -2.564 0.058 -5.659) 6.213 4.100 ( -1.983 0.647 0.290) 2.106 4.123 ( 0.375 0.031 -0.232) 0.442 4.271 ( 0.310 -0.118 6.339) 6.348 4.424 ( -0.986 1.282 -0.876) 1.839 4.467 ( 1.922 -1.187 3.760) 4.387 4.694 ( -0.773 0.131 -2.651) 2.764 4.856 ( -0.357 0.738 4.355) 4.432 5.033 ( -0.898 6.782 -1.912) 7.103 5.195 ( -0.794 1.527 -0.801) 1.899 5.359 ( -4.134 -2.144 -5.985) 7.583 5.652 ( -0.983 -0.378 3.406) 3.565 5.661 ( -3.258 -0.347 2.548) 4.151 ======================= Grid point 154 (47/129) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 11.385 4.241 2.540) 12.411 0.877 ( 5.966 -0.692 2.411) 6.472 1.049 ( 5.380 1.389 -1.998) 5.904 1.091 ( 0.098 0.948 -2.960) 3.109 1.241 ( 5.883 1.018 6.520) 8.840 1.262 ( 0.605 1.385 0.614) 1.632 1.371 ( 5.632 2.920 1.398) 6.496 1.483 ( 2.429 1.108 -0.148) 2.674 1.507 ( -0.328 1.523 0.384) 1.605 1.552 ( 0.071 -0.220 -0.705) 0.742 1.644 ( 5.804 -1.259 -0.057) 5.940 1.674 ( 6.554 -2.293 -0.989) 7.013 1.764 ( 0.528 -2.631 1.501) 3.075 1.857 ( -3.243 -3.435 -0.791) 4.790 2.081 ( 2.792 -1.122 4.847) 5.706 2.181 ( 13.275 -0.065 3.581) 13.750 2.257 ( 18.453 0.353 -0.659) 18.468 2.838 ( -0.517 -0.576 -9.887) 9.918 3.420 ( -3.482 -0.137 3.353) 4.835 3.628 ( 1.126 -0.060 -2.300) 2.562 3.631 ( 2.361 -0.134 -0.398) 2.398 3.700 ( 0.166 -0.216 1.360) 1.386 3.763 ( 5.100 0.024 -3.067) 5.951 3.879 ( -0.098 -0.078 -6.074) 6.075 4.004 ( -5.578 -0.098 3.473) 6.571 4.123 ( -0.146 0.168 0.219) 0.312 4.282 ( 0.888 -0.038 9.362) 9.404 4.430 ( 1.502 0.296 0.348) 1.570 4.537 ( 4.090 -0.440 1.534) 4.390 4.684 ( -0.207 -0.014 -2.763) 2.771 4.847 ( -0.284 0.492 3.331) 3.379 4.965 ( -3.177 3.813 -2.083) 5.383 5.175 ( -0.193 2.567 -1.517) 2.988 5.282 ( -4.479 -1.765 -4.444) 6.552 5.596 ( -2.908 0.154 3.293) 4.396 5.650 ( 0.337 0.555 1.198) 1.362 ======================= Grid point 155 (48/129) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 1.284 0.523 0.185) 1.399 0.987 ( 4.901 4.394 -0.170) 6.585 1.091 ( 0.595 0.768 0.592) 1.138 1.101 ( 1.210 3.127 1.091) 3.526 1.237 ( -0.478 4.666 0.707) 4.743 1.362 ( 6.243 2.176 1.291) 6.737 1.435 ( 4.224 3.828 2.664) 6.292 1.482 ( -0.973 -0.597 0.571) 1.277 1.541 ( 3.350 0.959 -0.035) 3.485 1.554 ( 0.471 0.393 -0.498) 0.790 1.701 ( -0.398 -3.430 0.769) 3.538 1.798 ( 4.815 -1.837 -1.045) 5.258 1.815 ( -3.407 -5.883 -0.448) 6.813 1.852 ( 4.183 -3.695 -1.756) 5.851 2.067 ( -1.679 -0.583 9.009) 9.183 2.483 ( 13.610 -0.874 1.865) 13.765 2.581 ( 13.995 0.168 -0.707) 14.013 2.828 ( -0.803 -0.054 -9.318) 9.352 3.342 ( -4.070 -0.028 2.543) 4.799 3.574 ( -4.464 -0.048 -5.230) 6.876 3.677 ( 1.653 0.007 0.555) 1.744 3.732 ( 2.096 0.098 1.902) 2.832 3.802 ( 0.005 -0.004 -1.661) 1.661 3.906 ( 2.578 0.019 -5.077) 5.694 3.963 ( 0.738 -0.230 4.861) 4.922 4.132 ( 1.563 -0.210 1.783) 2.381 4.308 ( 1.720 0.132 9.094) 9.256 4.457 ( 1.103 0.064 1.237) 1.659 4.606 ( 2.333 -0.208 -0.002) 2.342 4.683 ( -0.007 0.046 -2.890) 2.890 4.838 ( -0.465 0.298 2.024) 2.098 4.875 ( -4.134 2.148 -2.345) 5.215 5.157 ( -0.691 1.495 -1.579) 2.282 5.213 ( -3.043 -0.488 -3.463) 4.636 5.546 ( -2.077 0.213 3.607) 4.168 5.657 ( 0.605 0.978 -0.111) 1.156 ======================= Grid point 156 (49/129) ======================= q-point: ( 0.42 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -0.018 0.956 -0.768) 1.226 0.992 ( -1.264 1.965 -0.986) 2.535 1.059 ( -1.714 1.392 2.296) 3.185 1.120 ( 1.142 2.816 1.325) 3.315 1.218 ( 0.799 3.817 2.751) 4.772 1.441 ( 3.416 2.816 -2.115) 4.906 1.466 ( -0.144 -0.445 1.305) 1.387 1.499 ( 1.427 0.607 3.159) 3.520 1.591 ( 4.034 0.675 -1.227) 4.270 1.596 ( 2.119 0.243 -0.918) 2.322 1.708 ( -0.129 -2.187 0.428) 2.232 1.768 ( -3.690 -4.484 -0.710) 5.850 1.870 ( 0.280 -2.630 -0.359) 2.669 1.908 ( 0.826 -0.810 -0.221) 1.177 2.057 ( 0.510 -1.110 8.329) 8.418 2.681 ( 5.882 -0.385 1.301) 6.037 2.779 ( 6.155 -0.168 -1.293) 6.291 2.814 ( -0.041 0.196 -8.077) 8.080 3.278 ( -2.281 0.033 1.617) 2.796 3.495 ( -3.047 -0.151 -5.966) 6.701 3.696 ( 0.440 0.055 0.467) 0.644 3.787 ( 3.045 0.614 1.250) 3.349 3.812 ( 1.720 -0.252 2.619) 3.143 3.959 ( 2.107 0.124 -2.798) 3.505 3.970 ( -0.663 -0.174 2.482) 2.575 4.194 ( 4.388 -0.263 0.835) 4.474 4.337 ( 0.986 0.028 9.366) 9.418 4.470 ( 0.321 -0.035 2.067) 2.092 4.621 ( -0.776 -0.168 -0.300) 0.849 4.682 ( -0.086 0.056 -3.425) 3.427 4.793 ( -2.744 1.226 -3.458) 4.581 4.829 ( -0.426 0.096 0.964) 1.058 5.133 ( -1.220 0.004 -0.876) 1.502 5.173 ( -0.990 0.607 -3.358) 3.554 5.514 ( -1.102 0.141 3.880) 4.036 5.661 ( 0.257 0.673 -0.938) 1.183 ======================= Grid point 157 (50/129) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 -0.000 -0.594) 0.594 0.966 ( 0.000 -0.000 -0.184) 0.184 1.039 ( 0.000 -0.000 2.072) 2.072 1.119 ( 0.000 -0.000 -0.354) 0.354 1.217 ( 0.000 -0.000 4.539) 4.539 1.454 ( 0.000 -0.000 0.169) 0.169 1.481 ( 0.000 -0.000 -0.631) 0.631 1.506 ( 0.000 -0.000 2.530) 2.530 1.615 ( 0.000 -0.000 -1.166) 1.166 1.646 ( 0.000 -0.000 -3.994) 3.994 1.724 ( 0.000 0.000 -0.430) 0.430 1.729 ( -0.000 -0.000 0.055) 0.055 1.859 ( 0.000 -0.000 4.103) 4.103 1.923 ( 0.000 -0.000 -0.078) 0.078 2.071 ( 0.000 -0.000 6.128) 6.128 2.728 ( 0.000 -0.000 -1.049) 1.049 2.816 ( 0.000 -0.000 -6.359) 6.359 2.841 ( 0.000 -0.000 -0.624) 0.624 3.255 ( 0.000 -0.000 1.293) 1.293 3.466 ( 0.000 -0.000 -5.883) 5.883 3.699 ( 0.000 -0.000 0.431) 0.431 3.804 ( 0.000 -0.000 -2.519) 2.519 3.866 ( -0.000 -0.000 9.012) 9.012 3.941 ( 0.000 -0.000 0.449) 0.449 3.984 ( 0.000 -0.000 -2.040) 2.040 4.259 ( 0.000 -0.000 -2.808) 2.808 4.340 ( 0.000 -0.000 12.085) 12.085 4.473 ( 0.000 -0.000 2.481) 2.481 4.604 ( 0.000 -0.000 0.039) 0.039 4.680 ( 0.000 -0.000 -3.814) 3.814 4.764 ( 0.000 -0.000 -4.296) 4.296 4.825 ( 0.000 -0.000 0.484) 0.484 5.119 ( 0.000 -0.000 -0.538) 0.538 5.163 ( 0.000 -0.000 -3.327) 3.327 5.503 ( 0.000 -0.000 3.961) 3.961 5.661 ( 0.000 -0.000 -1.211) 1.211 ======================= Grid point 165 (51/129) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 14.136 -0.000 3.544) 14.574 0.685 ( 11.130 -0.000 6.306) 12.792 0.919 ( 7.788 -0.000 -2.740) 8.256 1.083 ( 2.232 -0.000 -6.398) 6.776 1.154 ( 9.770 -0.000 12.837) 16.132 1.165 ( 9.549 -0.000 0.445) 9.559 1.229 ( 1.868 -0.000 1.228) 2.235 1.455 ( 1.892 -0.000 -0.101) 1.894 1.524 ( 1.056 -0.000 -0.227) 1.080 1.532 ( 2.222 -0.000 -0.799) 2.362 1.538 ( 3.392 -0.000 -0.407) 3.416 1.550 ( 4.098 -0.000 -0.623) 4.145 1.725 ( 8.257 -0.000 1.158) 8.338 1.868 ( 4.438 -0.000 -0.285) 4.447 1.898 ( 10.679 -0.000 -1.257) 10.753 1.917 ( 1.694 -0.000 -0.785) 1.867 2.134 ( -0.749 0.000 6.472) 6.515 2.844 ( -0.862 0.000 -11.044) 11.078 3.458 ( -0.494 0.000 2.131) 2.187 3.557 ( 5.054 -0.000 -1.647) 5.315 3.562 ( 3.783 -0.000 -0.906) 3.890 3.594 ( 9.731 -0.000 -0.492) 9.743 3.752 ( -2.658 0.000 1.131) 2.889 3.908 ( -2.609 0.000 -5.655) 6.228 4.104 ( -2.630 0.000 0.161) 2.634 4.123 ( 0.894 -0.000 -0.216) 0.920 4.270 ( 0.233 -0.000 6.442) 6.446 4.433 ( -2.019 0.000 -1.744) 2.668 4.459 ( 2.794 -0.000 4.453) 5.257 4.694 ( -0.918 0.000 -2.778) 2.926 4.860 ( -0.526 0.000 4.574) 4.604 5.069 ( -2.874 0.000 -2.789) 4.005 5.207 ( -0.168 0.000 -2.237) 2.244 5.344 ( -4.016 0.000 -4.699) 6.181 5.649 ( -0.189 0.000 2.997) 3.002 5.660 ( -3.456 0.000 3.170) 4.690 ======================= Grid point 166 (52/129) ======================= q-point: ( 0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 7.250 0.242 2.553) 7.690 0.882 ( 11.072 1.516 2.249) 11.399 1.057 ( 5.815 0.268 -1.506) 6.013 1.098 ( -0.143 0.402 -3.234) 3.262 1.249 ( 5.759 0.370 6.413) 8.628 1.268 ( 1.701 0.101 0.549) 1.790 1.391 ( 7.573 0.862 0.604) 7.646 1.487 ( 0.584 0.120 -0.712) 0.929 1.525 ( 0.822 1.113 1.145) 1.796 1.551 ( 0.981 0.055 -0.151) 0.994 1.640 ( 5.027 0.131 -0.303) 5.038 1.659 ( 6.392 -0.530 -0.855) 6.471 1.741 ( -0.869 -1.318 1.754) 2.360 1.826 ( -4.754 -1.906 -0.370) 5.135 2.073 ( 3.452 -0.368 4.338) 5.556 2.181 ( 12.541 -0.006 3.893) 13.131 2.259 ( 18.465 0.123 -0.794) 18.483 2.834 ( -0.302 -0.211 -9.960) 9.966 3.419 ( -3.427 -0.053 3.349) 4.792 3.628 ( 0.727 -0.006 -2.884) 2.974 3.630 ( 2.942 -0.062 0.196) 2.949 3.699 ( 0.234 -0.079 1.422) 1.443 3.763 ( 5.034 0.015 -3.099) 5.912 3.879 ( -0.114 -0.022 -6.106) 6.107 4.004 ( -5.683 -0.027 3.539) 6.695 4.124 ( -0.343 0.055 0.302) 0.460 4.281 ( 1.009 -0.013 9.254) 9.309 4.432 ( 1.313 0.115 0.369) 1.368 4.534 ( 4.280 -0.172 1.483) 4.533 4.684 ( -0.182 -0.001 -2.842) 2.848 4.851 ( -0.421 0.175 3.543) 3.572 4.991 ( -4.428 1.238 -2.235) 5.112 5.201 ( -0.158 1.887 -3.320) 3.822 5.263 ( -4.327 -1.450 -3.351) 5.662 5.598 ( -2.857 0.075 3.603) 4.599 5.654 ( 0.604 0.194 1.278) 1.426 ======================= Grid point 167 (53/129) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 1.695 0.252 0.352) 1.749 1.024 ( 2.708 2.382 -1.529) 3.917 1.104 ( 1.902 1.588 1.456) 2.874 1.124 ( 1.684 1.026 1.004) 2.213 1.278 ( 0.125 2.847 0.661) 2.925 1.376 ( 6.824 0.711 3.423) 7.667 1.474 ( 1.026 1.670 0.298) 1.982 1.480 ( 1.428 1.415 0.386) 2.047 1.552 ( 2.069 0.877 -0.081) 2.248 1.564 ( 0.977 1.550 0.270) 1.852 1.670 ( -0.544 -2.258 1.129) 2.582 1.752 ( -3.026 -5.511 0.110) 6.288 1.786 ( 4.386 -0.493 -1.530) 4.672 1.816 ( 4.537 -3.067 -1.845) 5.779 2.062 ( -1.680 -0.302 9.083) 9.242 2.476 ( 13.683 -0.460 2.015) 13.838 2.582 ( 13.856 0.095 -0.798) 13.879 2.827 ( -0.586 -0.034 -9.268) 9.287 3.341 ( -4.025 -0.018 2.661) 4.825 3.574 ( -4.521 -0.031 -5.086) 6.805 3.677 ( 1.696 0.009 0.589) 1.795 3.732 ( 2.251 0.040 2.143) 3.108 3.802 ( 0.009 0.013 -1.673) 1.674 3.906 ( 2.665 0.012 -5.019) 5.682 3.961 ( 0.769 -0.122 4.811) 4.874 4.131 ( 1.476 -0.124 1.829) 2.354 4.309 ( 1.708 0.079 9.050) 9.210 4.457 ( 1.026 0.028 1.298) 1.655 4.604 ( 2.402 -0.120 0.005) 2.405 4.683 ( 0.004 0.030 -2.943) 2.943 4.841 ( -0.545 0.157 2.244) 2.314 4.893 ( -4.782 1.164 -2.454) 5.500 5.173 ( -1.860 1.432 -1.919) 3.032 5.206 ( -2.055 -0.816 -3.809) 4.405 5.549 ( -2.075 0.185 4.125) 4.621 5.665 ( 0.535 0.538 -0.048) 0.760 ======================= Grid point 168 (54/129) ======================= q-point: ( 0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -0.104 0.655 -0.858) 1.085 1.008 ( -1.824 0.977 -1.701) 2.679 1.078 ( -2.352 2.051 2.972) 4.310 1.148 ( 0.391 2.356 0.970) 2.577 1.253 ( -1.133 2.650 2.871) 4.068 1.460 ( -0.449 0.098 0.771) 0.897 1.467 ( 2.565 1.349 -0.513) 2.943 1.507 ( 0.635 0.904 2.154) 2.420 1.591 ( 1.689 -0.868 -0.838) 2.076 1.600 ( 3.634 0.964 -0.524) 3.796 1.694 ( 2.204 -0.506 -0.058) 2.262 1.722 ( -1.957 -3.992 -0.114) 4.447 1.847 ( 0.344 -1.867 -1.297) 2.299 1.898 ( 2.554 -1.058 -0.928) 2.917 2.045 ( 0.038 -1.123 9.553) 9.618 2.679 ( 6.572 -0.012 1.619) 6.769 2.777 ( 5.775 -0.185 -1.809) 6.054 2.815 ( -0.077 0.017 -7.760) 7.760 3.278 ( -2.277 0.023 1.746) 2.870 3.493 ( -3.051 -0.136 -5.741) 6.502 3.697 ( 0.435 0.047 0.509) 0.672 3.793 ( 3.316 0.448 1.806) 3.802 3.810 ( 1.456 -0.178 2.304) 2.731 3.961 ( 2.078 0.136 -2.668) 3.384 3.968 ( -0.615 -0.154 2.304) 2.390 4.192 ( 4.461 -0.200 0.769) 4.531 4.338 ( 0.928 0.023 9.473) 9.518 4.470 ( 0.304 -0.042 2.136) 2.158 4.620 ( -0.749 -0.115 -0.272) 0.805 4.682 ( -0.088 0.043 -3.462) 3.463 4.805 ( -3.265 0.875 -3.491) 4.860 4.830 ( -0.480 0.061 1.040) 1.147 5.133 ( -1.481 0.070 -0.796) 1.683 5.179 ( -1.005 0.376 -3.840) 3.987 5.516 ( -1.174 0.141 4.255) 4.416 5.667 ( -0.026 0.478 -0.884) 1.006 ======================= Grid point 169 (55/129) ======================= q-point: ( 0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -0.697 0.308 -0.845) 1.138 0.969 ( -1.032 0.480 -0.287) 1.173 1.042 ( -0.266 0.548 2.408) 2.484 1.122 ( -1.656 0.558 -0.242) 1.764 1.209 ( -2.682 -1.409 4.420) 5.359 1.454 ( -0.379 -0.030 -0.120) 0.399 1.475 ( -1.389 -1.121 -0.863) 1.982 1.505 ( -0.223 -0.040 2.895) 2.904 1.607 ( -0.399 -1.246 -0.930) 1.605 1.647 ( -0.498 0.217 -3.903) 3.941 1.722 ( 0.917 0.671 0.179) 1.150 1.748 ( 3.651 2.215 -0.695) 4.327 1.855 ( 1.473 -0.688 3.664) 4.009 1.927 ( 0.487 0.853 0.042) 0.984 2.064 ( 0.560 -1.284 6.450) 6.600 2.733 ( 0.210 0.976 -0.881) 1.332 2.811 ( 0.036 -0.897 -6.472) 6.534 2.842 ( -0.048 0.079 -0.695) 0.702 3.255 ( -0.031 -0.004 1.294) 1.294 3.465 ( 0.112 -0.035 -5.875) 5.876 3.699 ( -0.041 0.004 0.428) 0.430 3.804 ( -0.337 -0.051 -2.454) 2.477 3.866 ( -0.040 0.076 8.923) 8.924 3.941 ( 0.216 0.024 0.469) 0.517 3.984 ( -0.092 -0.013 -2.050) 2.052 4.259 ( 0.165 -0.011 -2.805) 2.810 4.340 ( 0.027 0.007 12.082) 12.083 4.473 ( 0.032 -0.015 2.484) 2.484 4.604 ( 0.107 -0.023 0.040) 0.117 4.680 ( -0.037 0.027 -3.815) 3.816 4.764 ( -0.690 0.007 -4.296) 4.351 4.825 ( -0.047 -0.002 0.485) 0.487 5.119 ( 0.114 0.002 -0.538) 0.550 5.163 ( -0.448 0.004 -3.329) 3.359 5.503 ( -0.075 0.003 3.961) 3.962 5.661 ( -0.378 -0.000 -1.211) 1.269 ======================= Grid point 170 (56/129) ======================= q-point: (-0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -0.257 -1.113 -0.570) 1.277 0.970 ( 0.175 -1.845 -0.137) 1.858 1.048 ( 0.239 -0.871 1.613) 1.849 1.093 ( -1.513 -2.139 1.704) 3.125 1.176 ( -1.937 -4.081 2.403) 5.117 1.409 ( -4.605 -3.096 -2.504) 6.088 1.471 ( 0.491 0.573 1.100) 1.334 1.494 ( -1.618 -0.332 3.416) 3.794 1.585 ( -3.996 -0.485 -1.505) 4.297 1.589 ( -2.193 -0.833 -0.732) 2.457 1.738 ( 1.509 3.356 0.483) 3.711 1.809 ( 3.756 3.036 -1.338) 5.012 1.902 ( 0.672 3.283 0.527) 3.392 1.914 ( 0.420 0.446 0.356) 0.708 2.065 ( -0.420 0.382 7.328) 7.350 2.687 ( -5.455 0.868 1.072) 5.627 2.781 ( -6.407 0.105 -0.894) 6.470 2.810 ( 0.153 -0.475 -8.422) 8.437 3.277 ( 2.285 -0.036 1.470) 2.717 3.496 ( 3.046 0.110 -6.208) 6.916 3.696 ( -0.441 -0.045 0.411) 0.605 3.780 ( -2.894 -0.601 0.966) 3.110 3.815 ( -1.877 0.247 2.590) 3.208 3.958 ( -2.234 -0.094 -3.097) 3.820 3.972 ( 0.820 0.173 2.851) 2.971 4.197 ( -4.304 0.253 0.913) 4.407 4.337 ( -1.055 -0.025 9.247) 9.307 4.470 ( -0.345 0.009 1.986) 2.016 4.623 ( 0.824 0.183 -0.334) 0.908 4.681 ( 0.069 -0.054 -3.380) 3.382 4.780 ( 2.103 -1.267 -3.403) 4.196 4.828 ( 0.354 -0.103 0.882) 0.955 5.133 ( 0.964 0.163 -0.994) 1.394 5.166 ( 0.926 -0.774 -2.791) 3.041 5.513 ( 1.075 -0.078 3.437) 3.602 5.653 ( -0.609 -0.700 -0.996) 1.361 ======================= Grid point 171 (57/129) ======================= q-point: (-0.42 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -0.760 -0.897 -0.148) 1.185 0.938 ( -6.145 -4.534 0.754) 7.674 1.061 ( -0.784 -4.281 1.897) 4.748 1.086 ( -0.046 -0.315 0.064) 0.325 1.185 ( 0.542 -4.837 0.464) 4.889 1.330 ( -5.259 -3.586 -1.456) 6.530 1.404 ( -6.039 -2.016 5.591) 8.473 1.490 ( 0.923 0.807 -0.041) 1.227 1.534 ( -3.651 -0.491 0.076) 3.684 1.551 ( -0.248 -0.327 -0.686) 0.799 1.739 ( 0.194 3.663 0.434) 3.693 1.818 ( -3.602 1.943 -1.004) 4.214 1.873 ( 2.142 4.884 -0.654) 5.373 1.890 ( -3.712 3.376 -1.542) 5.250 2.074 ( 1.784 0.799 8.866) 9.078 2.494 ( -13.531 1.139 1.642) 13.678 2.579 ( -14.184 -0.199 -0.582) 14.197 2.828 ( 1.133 0.054 -9.384) 9.453 3.342 ( 4.129 0.027 2.380) 4.765 3.575 ( 4.407 0.049 -5.429) 6.993 3.677 ( -1.600 0.005 0.505) 1.677 3.730 ( -1.857 -0.152 1.591) 2.449 3.802 ( -0.012 0.042 -1.677) 1.678 3.906 ( -2.464 -0.019 -5.157) 5.715 3.966 ( -0.688 0.298 4.931) 4.988 4.135 ( -1.685 0.233 1.719) 2.418 4.306 ( -1.736 -0.146 9.154) 9.319 4.456 ( -1.199 -0.096 1.152) 1.666 4.608 ( -2.259 0.226 -0.024) 2.270 4.682 ( 0.046 -0.029 -2.792) 2.792 4.834 ( 0.550 -0.630 1.252) 1.505 4.850 ( 2.882 -2.433 -1.620) 4.105 5.142 ( -0.107 -1.224 -1.050) 1.617 5.216 ( 3.714 0.143 -3.152) 4.873 5.545 ( 2.128 -0.055 2.880) 3.581 5.645 ( -0.734 -1.231 -0.177) 1.444 ======================= Grid point 172 (58/129) ======================= q-point: (-0.33 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -10.534 -4.048 2.871) 11.645 0.887 ( -4.588 1.185 1.884) 5.100 1.027 ( -4.523 -2.613 -2.453) 5.771 1.081 ( -0.796 -0.991 -2.300) 2.628 1.227 ( -5.640 -1.900 5.568) 8.150 1.234 ( 0.737 -3.509 1.712) 3.973 1.331 ( -4.093 -4.465 2.330) 6.490 1.463 ( -3.675 -1.849 0.639) 4.164 1.504 ( 0.676 0.479 -0.615) 1.032 1.555 ( 0.432 0.326 -1.265) 1.376 1.667 ( -6.297 2.768 0.088) 6.879 1.707 ( -6.661 4.002 -1.255) 7.871 1.791 ( -2.086 2.408 1.207) 3.407 1.890 ( 1.211 2.567 -1.399) 3.164 2.096 ( -1.388 1.737 5.810) 6.221 2.183 ( -14.677 0.250 2.944) 14.971 2.252 ( -18.496 -0.526 -0.444) 18.508 2.845 ( 0.876 0.788 -9.762) 9.833 3.422 ( 3.569 0.171 3.349) 4.898 3.629 ( -1.357 0.130 -1.859) 2.306 3.632 ( -1.819 0.153 -0.875) 2.024 3.703 ( -0.040 0.290 1.215) 1.249 3.763 ( -5.207 0.018 -2.973) 5.997 3.881 ( 0.103 0.149 -6.046) 6.048 4.006 ( 5.439 0.217 3.356) 6.395 4.120 ( -0.228 -0.284 0.084) 0.374 4.282 ( -0.681 0.059 9.544) 9.568 4.426 ( -1.764 -0.363 0.318) 1.829 4.542 ( -3.827 0.528 1.623) 4.191 4.685 ( 0.236 0.066 -2.602) 2.614 4.841 ( -0.002 -0.776 2.885) 2.988 4.913 ( 0.819 -5.803 -1.291) 6.001 5.152 ( 0.510 -1.784 -0.255) 1.873 5.298 ( 4.823 1.242 -4.987) 7.048 5.595 ( 2.911 -0.082 2.812) 4.048 5.643 ( 0.171 -0.830 1.052) 1.351 ======================= Grid point 173 (59/129) ======================= q-point: (-0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -11.592 -1.016 4.459) 12.462 0.733 ( -9.362 3.359 6.362) 11.807 0.927 ( -5.902 -0.038 -4.605) 7.486 1.072 ( -1.247 -1.396 -4.145) 4.548 1.145 ( -3.248 -1.359 8.322) 9.036 1.182 ( -10.967 1.167 5.408) 12.284 1.247 ( -3.641 0.785 0.589) 3.771 1.417 ( -2.223 -2.994 0.622) 3.781 1.508 ( -1.000 -0.443 -1.312) 1.708 1.523 ( -5.461 0.089 -0.056) 5.462 1.547 ( -3.003 0.621 -1.380) 3.362 1.567 ( -3.096 1.686 -0.435) 3.552 1.726 ( -9.252 0.184 0.387) 9.262 1.845 ( -5.577 -2.024 -0.817) 5.989 1.897 ( -14.616 -0.397 -0.695) 14.638 1.938 ( -0.143 1.311 -1.044) 1.682 2.144 ( 1.265 0.905 7.159) 7.326 2.859 ( 1.127 1.266 -10.562) 10.697 3.462 ( 0.545 0.315 2.341) 2.424 3.560 ( -4.714 0.266 -1.362) 4.914 3.566 ( -4.095 0.354 -0.904) 4.208 3.597 ( -9.824 0.268 -0.347) 9.834 3.751 ( 2.674 -0.088 1.017) 2.862 3.907 ( 2.444 -0.026 -5.691) 6.193 4.090 ( 0.522 -1.214 0.655) 1.475 4.123 ( 0.661 0.013 -0.265) 0.712 4.272 ( -0.526 0.190 6.058) 6.084 4.410 ( 0.176 -1.319 -0.513) 1.426 4.480 ( -1.519 1.172 3.863) 4.314 4.690 ( -0.002 -0.688 -2.147) 2.255 4.844 ( -0.292 -1.682 3.565) 3.953 4.939 ( -2.066 -9.930 0.947) 10.187 5.183 ( 1.871 -0.707 0.215) 2.011 5.380 ( 4.013 1.635 -7.295) 8.484 5.655 ( 2.867 0.171 4.190) 5.080 5.668 ( 2.760 0.863 1.263) 3.156 ======================= Grid point 174 (60/129) ======================= q-point: (-0.17 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( -8.233 4.528 7.125) 11.792 0.517 ( -9.632 5.791 10.583) 15.437 0.784 ( -10.779 5.270 5.239) 13.092 0.891 ( -10.127 1.950 4.223) 11.144 1.026 ( -3.232 1.092 -5.143) 6.171 1.110 ( -1.681 0.796 5.648) 5.946 1.198 ( -0.149 -1.392 -0.090) 1.402 1.387 ( -5.144 -2.289 -0.290) 5.638 1.403 ( -7.968 -0.233 -1.196) 8.061 1.446 ( -2.264 -1.842 0.953) 3.071 1.495 ( -3.236 -0.601 0.889) 3.410 1.531 ( -4.688 -0.916 -1.324) 4.957 1.544 ( -0.436 0.015 -0.035) 0.437 1.702 ( -2.935 0.570 -3.159) 4.349 1.858 ( 1.212 -2.677 0.503) 2.981 1.975 ( 2.379 -0.481 -2.745) 3.664 2.169 ( 2.019 1.572 6.492) 6.978 2.876 ( 1.262 1.270 -11.746) 11.881 3.407 ( -8.295 0.169 0.281) 8.301 3.445 ( -2.755 0.253 -0.896) 2.908 3.462 ( -4.248 -0.011 -0.718) 4.308 3.473 ( -5.373 0.156 -2.778) 6.051 3.796 ( 1.673 -0.130 1.469) 2.230 3.968 ( 3.629 -0.226 -3.563) 5.090 4.074 ( -1.534 -1.980 1.320) 2.831 4.108 ( -1.807 0.440 -0.173) 1.867 4.257 ( -1.471 -1.412 2.466) 3.200 4.425 ( -0.645 0.105 5.006) 5.048 4.472 ( 0.197 -2.621 -1.458) 3.006 4.684 ( -2.160 -5.429 1.497) 6.032 4.847 ( -0.718 -3.158 3.946) 5.105 4.956 ( -1.457 -10.414 4.870) 11.589 5.222 ( 1.720 0.118 0.482) 1.790 5.431 ( 2.023 1.240 -8.531) 8.855 5.692 ( 1.916 2.815 2.148) 4.026 5.745 ( 5.097 1.188 2.796) 5.934 ======================= Grid point 175 (61/129) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.260 ( -0.000 12.534 6.866) 14.292 0.341 ( -0.000 6.555 14.458) 15.875 0.581 ( -0.000 4.195 24.740) 25.093 0.820 ( -0.000 0.512 -5.484) 5.507 0.976 ( -0.000 1.391 -6.168) 6.323 1.087 ( -0.000 0.803 7.592) 7.635 1.242 ( 0.000 -0.947 -5.460) 5.542 1.276 ( 0.000 -0.154 0.827) 0.841 1.311 ( 0.000 -0.676 -0.338) 0.755 1.459 ( 0.000 -0.605 0.453) 0.756 1.463 ( 0.000 -2.199 2.805) 3.564 1.486 ( 0.000 -0.955 -0.272) 0.993 1.567 ( 0.000 -1.459 -0.449) 1.526 1.684 ( -0.000 1.680 -3.610) 3.982 1.889 ( 0.000 -2.456 0.586) 2.525 2.005 ( -0.000 0.295 -3.398) 3.411 2.197 ( -0.000 2.316 3.559) 4.246 2.885 ( -0.000 0.950 -12.571) 12.607 3.318 ( -0.000 0.120 0.324) 0.346 3.328 ( -0.000 0.133 -0.014) 0.134 3.417 ( 0.000 -0.049 0.039) 0.062 3.441 ( -0.000 0.044 -0.467) 0.469 3.813 ( 0.000 -0.169 1.586) 1.595 4.020 ( 0.000 -0.049 -5.951) 5.951 4.077 ( -0.000 0.144 -0.001) 0.144 4.084 ( -0.000 0.137 -0.164) 0.213 4.238 ( 0.000 -4.363 6.182) 7.567 4.394 ( 0.000 -0.428 6.779) 6.793 4.500 ( 0.000 -4.643 -2.316) 5.189 4.694 ( 0.000 -8.426 4.491) 9.548 4.856 ( 0.000 -3.868 5.350) 6.601 4.996 ( 0.000 -12.028 7.375) 14.109 5.241 ( 0.000 -0.016 0.774) 0.774 5.445 ( -0.000 1.552 -8.815) 8.951 5.695 ( -0.000 3.407 2.379) 4.155 5.813 ( -0.000 1.212 -0.846) 1.478 ======================= Grid point 178 (62/129) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 1.848 -0.000 0.403) 1.891 1.036 ( 1.472 -0.000 -2.134) 2.593 1.117 ( 3.797 -0.000 1.943) 4.265 1.125 ( 0.774 -0.000 0.981) 1.250 1.293 ( 0.584 -0.000 0.576) 0.820 1.379 ( 6.960 -0.000 3.928) 7.992 1.475 ( -0.978 0.000 1.177) 1.530 1.497 ( 3.338 -0.000 -1.647) 3.722 1.558 ( 1.514 -0.000 0.135) 1.520 1.575 ( 1.323 -0.000 0.800) 1.546 1.659 ( -0.800 0.000 1.321) 1.545 1.716 ( -3.478 0.000 0.193) 3.484 1.790 ( 4.089 -0.000 -2.079) 4.587 1.792 ( 5.279 -0.000 -1.416) 5.466 2.060 ( -1.692 0.000 9.107) 9.263 2.473 ( 13.712 -0.000 2.067) 13.867 2.583 ( 13.805 -0.000 -0.831) 13.830 2.827 ( -0.510 0.000 -9.250) 9.264 3.341 ( -4.008 0.000 2.704) 4.835 3.573 ( -4.546 0.000 -5.033) 6.782 3.677 ( 1.712 -0.000 0.601) 1.814 3.732 ( 2.302 -0.000 2.234) 3.208 3.802 ( 0.013 -0.000 -1.683) 1.683 3.906 ( 2.698 -0.000 -4.997) 5.679 3.961 ( 0.779 -0.000 4.794) 4.856 4.130 ( 1.445 -0.000 1.846) 2.344 4.309 ( 1.703 -0.000 9.034) 9.194 4.457 ( 0.997 -0.000 1.319) 1.654 4.603 ( 2.430 -0.000 0.006) 2.430 4.683 ( 0.005 -0.000 -2.960) 2.960 4.842 ( -0.577 0.000 2.312) 2.383 4.899 ( -4.987 0.000 -2.464) 5.563 5.183 ( -3.294 0.000 -1.610) 3.666 5.199 ( -0.709 0.000 -4.384) 4.441 5.550 ( -2.081 0.000 4.311) 4.787 5.668 ( 0.513 -0.000 -0.023) 0.514 ======================= Grid point 179 (63/129) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -0.105 0.241 -0.920) 0.957 1.013 ( -2.034 0.222 -1.701) 2.661 1.096 ( -2.617 1.071 2.943) 4.082 1.165 ( 0.090 0.844 0.862) 1.210 1.272 ( -2.785 0.988 2.818) 4.083 1.459 ( -0.514 -0.054 1.526) 1.611 1.478 ( 2.040 0.505 -0.038) 2.102 1.515 ( -0.713 0.473 0.709) 1.111 1.581 ( 0.933 -0.687 -0.480) 1.254 1.610 ( 3.166 0.635 0.181) 3.234 1.691 ( 0.666 -1.594 0.041) 1.728 1.693 ( 3.855 -0.014 -0.436) 3.880 1.833 ( 0.158 -0.681 -1.969) 2.089 1.888 ( 3.849 -0.559 -1.349) 4.117 2.036 ( -0.498 -0.457 10.388) 10.409 2.679 ( 7.122 0.052 1.859) 7.360 2.776 ( 5.436 -0.087 -2.219) 5.872 2.815 ( -0.120 -0.015 -7.535) 7.536 3.278 ( -2.276 0.008 1.822) 2.915 3.492 ( -3.054 -0.055 -5.604) 6.382 3.697 ( 0.430 0.019 0.532) 0.684 3.796 ( 3.612 0.158 2.488) 4.389 3.809 ( 1.170 -0.058 1.749) 2.104 3.962 ( 2.285 0.077 -2.960) 3.740 3.967 ( -0.815 -0.081 2.574) 2.701 4.190 ( 4.503 -0.075 0.732) 4.562 4.338 ( 0.894 0.009 9.536) 9.577 4.469 ( 0.296 -0.018 2.176) 2.197 4.619 ( -0.739 -0.041 -0.256) 0.783 4.683 ( -0.083 0.017 -3.482) 3.483 4.811 ( -3.564 0.318 -3.517) 5.018 4.830 ( -0.496 0.018 1.099) 1.206 5.134 ( -1.650 0.037 -0.753) 1.814 5.181 ( -0.994 0.126 -4.120) 4.240 5.517 ( -1.234 0.059 4.468) 4.635 5.671 ( -0.181 0.172 -0.852) 0.888 ======================= Grid point 180 (64/129) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -1.060 0.305 -1.297) 1.702 0.974 ( -1.587 0.353 -0.519) 1.707 1.050 ( -0.685 0.987 3.087) 3.312 1.128 ( -3.016 0.421 0.063) 3.046 1.192 ( -4.568 -1.495 4.097) 6.316 1.451 ( -2.503 -0.578 -1.799) 3.136 1.463 ( -0.363 -0.701 0.120) 0.798 1.506 ( -0.267 0.034 3.304) 3.315 1.594 ( -0.227 -0.991 -0.466) 1.118 1.649 ( -0.957 0.162 -3.795) 3.918 1.736 ( 3.184 1.565 0.132) 3.550 1.767 ( 3.745 1.155 -0.852) 4.011 1.846 ( 2.346 -0.827 2.997) 3.895 1.939 ( 1.520 1.289 -0.366) 2.026 2.047 ( 0.747 -1.645 7.483) 7.698 2.746 ( 0.483 1.389 -0.035) 1.471 2.799 ( -0.071 -1.285 -7.309) 7.421 2.842 ( -0.061 0.052 -0.738) 0.743 3.255 ( -0.054 -0.004 1.296) 1.297 3.465 ( 0.192 -0.034 -5.859) 5.862 3.699 ( -0.071 0.004 0.424) 0.430 3.803 ( -0.572 -0.050 -2.329) 2.399 3.867 ( -0.084 0.075 8.754) 8.754 3.941 ( 0.379 0.024 0.509) 0.635 3.984 ( -0.160 -0.013 -2.071) 2.077 4.259 ( 0.287 -0.011 -2.798) 2.813 4.340 ( 0.045 0.007 12.078) 12.078 4.472 ( 0.056 -0.015 2.489) 2.490 4.603 ( 0.184 -0.023 0.043) 0.191 4.681 ( -0.063 0.027 -3.818) 3.819 4.764 ( -1.195 0.007 -4.296) 4.459 4.824 ( -0.081 -0.002 0.487) 0.493 5.119 ( 0.197 0.002 -0.537) 0.572 5.163 ( -0.776 0.004 -3.333) 3.422 5.503 ( -0.130 0.003 3.962) 3.964 5.661 ( -0.656 -0.000 -1.211) 1.377 ======================= Grid point 181 (65/129) ======================= q-point: (-0.58 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -0.877 -0.801 -0.285) 1.222 0.955 ( -1.026 -1.088 0.079) 1.497 1.039 ( -2.610 -0.796 2.178) 3.491 1.076 ( -0.310 -1.031 1.617) 1.943 1.137 ( -2.217 -3.111 1.789) 4.218 1.379 ( -4.987 -2.385 -2.807) 6.199 1.477 ( 0.762 0.511 0.782) 1.206 1.491 ( -1.753 -0.220 3.638) 4.044 1.580 ( -2.381 -0.591 -0.386) 2.484 1.582 ( -3.575 -0.421 -1.661) 3.965 1.774 ( 1.938 3.384 0.184) 3.904 1.829 ( 2.829 0.775 -1.348) 3.228 1.916 ( 2.861 0.098 1.029) 3.042 1.940 ( 0.266 3.465 0.289) 3.487 2.064 ( 0.239 -0.569 6.964) 6.991 2.698 ( -5.485 1.044 1.079) 5.687 2.781 ( -6.534 0.047 -0.650) 6.567 2.804 ( 0.530 -0.632 -8.857) 8.895 3.277 ( 2.289 -0.028 1.344) 2.655 3.497 ( 3.050 0.053 -6.400) 7.090 3.695 ( -0.437 -0.027 0.358) 0.566 3.775 ( -2.825 -0.429 0.837) 2.977 3.817 ( -1.963 0.174 2.419) 3.120 3.957 ( -2.355 -0.059 -3.370) 4.112 3.974 ( 0.972 0.136 3.195) 3.342 4.199 ( -4.232 0.180 0.981) 4.348 4.337 ( -1.113 -0.017 9.147) 9.214 4.470 ( -0.372 -0.011 1.917) 1.953 4.625 ( 0.879 0.147 -0.364) 0.963 4.681 ( 0.043 -0.040 -3.339) 3.339 4.768 ( 1.508 -0.954 -3.335) 3.782 4.827 ( 0.288 -0.078 0.808) 0.862 5.136 ( 0.783 0.387 -1.169) 1.460 5.157 ( 0.829 -0.835 -2.242) 2.532 5.513 ( 1.105 -0.015 3.049) 3.243 5.647 ( -0.943 -0.533 -1.041) 1.503 ======================= Grid point 182 (66/129) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -6.473 -3.313 1.106) 7.355 0.920 ( -0.335 -1.439 -0.535) 1.572 1.017 ( -0.558 -3.699 3.181) 4.911 1.084 ( -0.290 -0.193 -0.172) 0.388 1.139 ( 0.488 -3.829 0.087) 3.861 1.293 ( -4.996 -3.095 -2.309) 6.315 1.389 ( -7.199 -0.930 6.320) 9.624 1.498 ( 0.824 0.766 -0.576) 1.264 1.530 ( -3.403 -0.229 0.228) 3.418 1.547 ( -0.110 -0.429 -0.732) 0.855 1.776 ( -0.238 3.182 0.156) 3.195 1.836 ( -2.280 1.381 -0.888) 2.809 1.916 ( 0.650 3.234 -0.854) 3.408 1.921 ( -3.141 2.482 -1.278) 4.202 2.083 ( 2.065 0.840 8.618) 8.902 2.506 ( -13.475 1.106 1.396) 13.592 2.577 ( -14.373 -0.177 -0.454) 14.382 2.829 ( 1.504 0.037 -9.451) 9.570 3.342 ( 4.184 0.019 2.214) 4.733 3.575 ( 4.379 0.039 -5.631) 7.134 3.677 ( -1.551 0.015 0.452) 1.616 3.728 ( -1.595 -0.158 1.304) 2.066 3.802 ( -0.021 0.063 -1.738) 1.739 3.905 ( -2.354 -0.015 -5.237) 5.742 3.969 ( -0.625 0.292 5.003) 5.051 4.137 ( -1.811 0.193 1.653) 2.460 4.305 ( -1.751 -0.122 9.216) 9.382 4.455 ( -1.282 -0.101 1.065) 1.669 4.610 ( -2.223 0.161 -0.063) 2.230 4.682 ( 0.136 0.023 -2.655) 2.658 4.817 ( 1.609 -2.356 -1.826) 3.387 4.835 ( 0.469 -0.499 1.518) 1.665 5.131 ( -0.616 -0.823 -0.599) 1.190 5.216 ( 4.204 -0.054 -2.873) 5.092 5.546 ( 2.265 0.161 2.126) 3.111 5.632 ( -0.935 -1.202 -0.209) 1.538 ======================= Grid point 183 (67/129) ======================= q-point: (-0.42 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -8.550 -1.970 2.768) 9.200 0.899 ( -2.953 0.885 0.958) 3.228 0.998 ( -3.676 -2.707 -2.105) 5.027 1.069 ( -1.412 -1.340 -1.436) 2.419 1.185 ( 0.905 -4.676 0.647) 4.806 1.211 ( -4.845 -1.915 5.906) 7.875 1.282 ( -4.182 -4.567 3.826) 7.279 1.450 ( -4.112 -0.707 0.622) 4.219 1.512 ( 0.539 0.986 -0.992) 1.499 1.557 ( 0.714 -0.007 -1.650) 1.798 1.699 ( -6.141 3.185 0.274) 6.923 1.754 ( -5.984 4.566 -1.465) 7.668 1.813 ( -3.741 1.609 0.874) 4.165 1.909 ( -0.861 0.997 -1.976) 2.375 2.115 ( 0.435 1.764 6.997) 7.229 2.187 ( -16.455 0.548 2.039) 16.590 2.246 ( -18.662 -0.585 -0.227) 18.673 2.854 ( 1.271 0.789 -9.616) 9.731 3.423 ( 3.659 0.152 3.331) 4.951 3.631 ( -1.609 0.171 -1.348) 2.105 3.634 ( -1.216 0.136 -1.453) 1.899 3.706 ( 0.103 0.275 0.976) 1.019 3.764 ( -5.306 0.092 -2.798) 5.999 3.882 ( 0.166 0.203 -6.059) 6.065 4.009 ( 5.394 0.370 3.198) 6.282 4.117 ( -0.745 -0.382 -0.053) 0.839 4.283 ( -0.446 0.066 9.750) 9.760 4.422 ( -1.989 -0.318 0.292) 2.036 4.547 ( -3.599 0.423 1.740) 4.020 4.686 ( 0.228 0.198 -2.354) 2.373 4.827 ( -1.246 -2.661 1.211) 3.179 4.853 ( -0.873 -4.437 1.105) 4.655 5.138 ( 0.993 -1.041 0.343) 1.479 5.309 ( 5.123 0.763 -5.179) 7.325 5.595 ( 2.713 0.106 2.333) 3.580 5.633 ( 0.905 -0.963 0.875) 1.585 ======================= Grid point 184 (68/129) ======================= q-point: (-0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -7.882 2.627 4.192) 9.306 0.772 ( -8.121 3.962 5.931) 10.809 0.923 ( -4.619 -0.839 -4.921) 6.801 1.054 ( -0.820 -1.806 -2.533) 3.217 1.128 ( -3.317 -1.818 9.409) 10.141 1.179 ( -6.982 -1.974 4.817) 8.709 1.246 ( -1.956 -1.305 -0.354) 2.378 1.389 ( -2.687 -2.087 1.301) 3.642 1.511 ( -1.067 0.948 -1.753) 2.261 1.533 ( -6.653 1.829 -0.051) 6.900 1.555 ( -3.775 0.933 -1.594) 4.203 1.589 ( -4.720 2.527 -0.362) 5.366 1.728 ( -10.120 0.170 -0.149) 10.122 1.821 ( -6.559 -2.547 -1.090) 7.120 1.891 ( -14.674 -0.602 -0.140) 14.687 1.948 ( -1.964 0.501 -1.577) 2.568 2.155 ( 1.610 1.038 7.796) 8.028 2.873 ( 1.352 1.401 -10.120) 10.306 3.466 ( 0.592 0.327 2.513) 2.602 3.563 ( -4.389 0.299 -0.836) 4.478 3.570 ( -4.454 0.421 -1.214) 4.636 3.600 ( -9.851 0.360 -0.203) 9.860 3.750 ( 2.709 -0.032 0.941) 2.868 3.907 ( 2.280 0.107 -5.791) 6.225 4.076 ( -1.250 -1.557 1.208) 2.333 4.124 ( 1.661 0.137 -0.306) 1.695 4.274 ( -0.836 0.196 5.666) 5.731 4.397 ( -0.374 -1.077 -0.516) 1.251 4.491 ( -1.442 0.932 4.456) 4.775 4.673 ( -3.102 -2.940 -0.315) 4.286 4.809 ( -2.140 -5.689 1.376) 6.231 4.856 ( -0.529 -4.130 4.071) 5.823 5.178 ( 2.471 -0.338 0.507) 2.545 5.393 ( 3.620 0.907 -7.739) 8.592 5.656 ( 4.023 0.017 4.317) 5.901 5.678 ( 3.123 0.955 0.614) 3.323 ======================= Grid point 185 (69/129) ======================= q-point: (-0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -2.985 9.220 6.124) 11.464 0.582 ( -7.721 6.270 11.233) 15.004 0.831 ( -5.555 3.039 -3.098) 7.049 0.925 ( -13.142 4.445 10.849) 17.612 1.037 ( -1.646 0.959 -3.438) 3.931 1.114 ( -0.168 -0.315 3.886) 3.902 1.189 ( -2.162 0.084 1.339) 2.544 1.357 ( -3.955 -3.243 0.337) 5.126 1.401 ( -8.264 -0.395 -1.485) 8.405 1.426 ( -3.070 -1.933 0.503) 3.662 1.486 ( -4.834 -0.971 1.089) 5.050 1.522 ( -4.664 -0.603 -1.445) 4.920 1.544 ( -1.055 0.165 -0.511) 1.184 1.707 ( -2.028 0.183 -3.206) 3.798 1.825 ( 0.307 -3.602 0.348) 3.632 1.966 ( 2.187 -1.275 -4.437) 5.108 2.186 ( 2.455 1.545 7.181) 7.745 2.892 ( 1.311 1.622 -11.074) 11.269 3.410 ( -8.298 0.219 0.336) 8.308 3.448 ( -2.970 0.305 -0.601) 3.045 3.462 ( -4.381 0.056 -0.850) 4.463 3.475 ( -5.533 0.138 -2.427) 6.044 3.795 ( 1.603 -0.090 1.558) 2.237 3.965 ( 3.568 -0.489 -2.511) 4.390 4.045 ( -2.135 -3.695 3.402) 5.458 4.113 ( -1.927 0.491 -0.174) 1.996 4.237 ( -4.122 -2.287 1.977) 5.112 4.419 ( 1.084 -1.998 1.845) 2.928 4.441 ( -5.588 -2.256 5.243) 7.988 4.610 ( -3.977 -7.123 6.864) 10.661 4.817 ( 0.331 -1.838 0.887) 2.067 4.884 ( 0.936 -4.248 5.033) 6.652 5.224 ( 1.859 0.118 0.623) 1.964 5.438 ( 1.460 0.218 -8.271) 8.401 5.720 ( 2.267 2.373 0.981) 3.426 5.758 ( 5.648 1.110 2.529) 6.287 ======================= Grid point 186 (70/129) ======================= q-point: (-0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( -0.000 13.054 5.620) 14.212 0.429 ( -0.000 9.591 11.318) 14.835 0.646 ( -0.000 8.003 20.415) 21.928 0.828 ( -0.000 1.039 -3.136) 3.304 0.997 ( -0.000 2.604 -5.737) 6.300 1.100 ( -0.000 1.647 6.572) 6.775 1.220 ( 0.000 -3.211 -2.731) 4.215 1.273 ( 0.000 -0.355 0.682) 0.769 1.300 ( 0.000 -1.407 -0.253) 1.430 1.437 ( 0.000 -2.476 1.549) 2.921 1.448 ( 0.000 -1.589 0.413) 1.642 1.473 ( 0.000 -1.199 -0.257) 1.226 1.554 ( 0.000 -0.926 -0.726) 1.177 1.698 ( -0.000 0.867 -3.097) 3.216 1.853 ( 0.000 -4.135 0.259) 4.143 2.005 ( 0.000 -0.530 -6.566) 6.588 2.222 ( -0.000 2.128 2.883) 3.584 2.899 ( -0.000 1.536 -11.891) 11.990 3.319 ( -0.000 0.210 0.336) 0.396 3.330 ( -0.000 0.236 -0.015) 0.237 3.417 ( 0.000 -0.089 0.062) 0.108 3.441 ( -0.000 0.074 -0.467) 0.473 3.811 ( 0.000 -0.273 1.923) 1.943 4.019 ( 0.000 -0.163 -6.019) 6.021 4.079 ( -0.000 0.255 -0.017) 0.255 4.086 ( -0.000 0.229 -0.175) 0.288 4.148 ( 0.000 -12.576 17.794) 21.789 4.377 ( 0.000 -3.182 8.854) 9.408 4.444 ( 0.000 -3.403 3.965) 5.225 4.608 ( 0.000 -5.457 7.411) 9.203 4.828 ( 0.000 -1.277 1.555) 2.012 4.919 ( 0.000 -4.442 5.616) 7.161 5.242 ( -0.000 0.177 0.744) 0.765 5.452 ( -0.000 0.035 -8.425) 8.425 5.728 ( -0.000 2.837 0.955) 2.994 5.825 ( -0.000 0.964 -0.426) 1.054 ======================= Grid point 191 (71/129) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -1.166 0.000 -1.515) 1.911 0.976 ( -1.674 0.000 -0.601) 1.778 1.057 ( -0.851 0.000 3.412) 3.517 1.130 ( -3.686 0.000 0.326) 3.700 1.184 ( -5.212 0.000 3.812) 6.457 1.446 ( -3.832 0.000 -2.752) 4.718 1.461 ( 0.690 -0.000 0.799) 1.056 1.506 ( -0.288 0.000 3.446) 3.458 1.589 ( -0.068 0.000 -0.268) 0.277 1.650 ( -1.126 0.000 -3.751) 3.916 1.747 ( 4.117 -0.000 -0.021) 4.117 1.772 ( 3.369 -0.000 -0.759) 3.453 1.841 ( 2.602 -0.000 2.752) 3.787 1.948 ( 2.258 -0.000 -1.163) 2.540 2.037 ( 0.609 -0.000 8.477) 8.499 2.756 ( 0.771 -0.000 1.603) 1.778 2.790 ( -0.300 0.000 -8.962) 8.968 2.843 ( -0.062 0.000 -0.739) 0.741 3.255 ( -0.062 0.000 1.296) 1.298 3.465 ( 0.222 -0.000 -5.850) 5.855 3.699 ( -0.083 0.000 0.422) 0.430 3.803 ( -0.654 0.000 -2.270) 2.363 3.868 ( -0.106 0.000 8.672) 8.673 3.941 ( 0.441 -0.000 0.529) 0.689 3.984 ( -0.186 0.000 -2.081) 2.090 4.259 ( 0.332 -0.000 -2.795) 2.814 4.340 ( 0.051 -0.000 12.076) 12.076 4.472 ( 0.064 -0.000 2.492) 2.493 4.603 ( 0.213 -0.000 0.044) 0.217 4.681 ( -0.073 0.000 -3.820) 3.820 4.764 ( -1.379 0.000 -4.296) 4.512 4.824 ( -0.093 0.000 0.488) 0.497 5.119 ( 0.228 -0.000 -0.537) 0.584 5.163 ( -0.897 0.000 -3.335) 3.453 5.503 ( -0.150 0.000 3.962) 3.965 5.661 ( -0.757 0.000 -1.210) 1.428 ======================= Grid point 192 (72/129) ======================= q-point: (-0.67 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -1.486 -0.224 -0.200) 1.516 0.947 ( -1.826 -0.380 0.113) 1.868 1.033 ( -4.908 -0.379 3.262) 5.905 1.070 ( 1.164 -0.254 1.297) 1.762 1.114 ( -2.202 -1.150 1.136) 2.732 1.361 ( -4.983 -0.902 -3.010) 5.891 1.481 ( 1.224 0.250 0.124) 1.255 1.490 ( -2.141 -0.127 4.240) 4.752 1.575 ( -1.568 -0.259 0.103) 1.593 1.579 ( -4.245 -0.111 -2.007) 4.697 1.806 ( 1.896 2.573 -0.320) 3.213 1.827 ( 2.260 -1.155 -0.849) 2.676 1.916 ( 3.564 0.003 1.184) 3.756 1.969 ( 0.363 1.743 -0.471) 1.842 2.056 ( 1.097 -0.656 7.423) 7.532 2.707 ( -5.813 0.511 1.313) 5.981 2.782 ( -6.562 0.009 -0.543) 6.584 2.799 ( 1.000 -0.332 -9.315) 9.375 3.277 ( 2.292 -0.011 1.272) 2.621 3.497 ( 3.054 0.013 -6.503) 7.185 3.695 ( -0.433 -0.008 0.325) 0.541 3.772 ( -2.800 -0.155 0.786) 2.912 3.819 ( -2.003 0.062 2.284) 3.038 3.957 ( -2.422 -0.020 -3.523) 4.276 3.975 ( 1.060 0.053 3.393) 3.555 4.201 ( -4.190 0.065 1.021) 4.313 4.337 ( -1.147 -0.006 9.091) 9.163 4.470 ( -0.390 -0.008 1.877) 1.917 4.626 ( 0.917 0.057 -0.383) 0.995 4.680 ( 0.025 -0.015 -3.313) 3.313 4.761 ( 1.145 -0.355 -3.288) 3.499 4.827 ( 0.250 -0.029 0.765) 0.806 5.142 ( 0.701 0.611 -1.427) 1.703 5.149 ( 0.751 -0.775 -1.776) 2.079 5.513 ( 1.148 0.004 2.823) 3.047 5.643 ( -1.152 -0.200 -1.065) 1.582 ======================= Grid point 193 (73/129) ======================= q-point: (-0.58 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -6.120 -1.502 1.060) 6.390 0.903 ( -0.438 -1.573 -0.460) 1.697 0.988 ( -0.699 -1.784 3.982) 4.419 1.082 ( -0.606 -0.110 -0.293) 0.682 1.107 ( 0.559 -2.132 -0.166) 2.210 1.268 ( -5.022 -1.648 -2.436) 5.819 1.382 ( -7.731 -0.395 6.328) 9.998 1.505 ( 0.481 0.443 -0.912) 1.122 1.529 ( -2.636 0.073 0.257) 2.650 1.542 ( -0.235 -0.452 -0.704) 0.869 1.804 ( -0.957 1.978 -0.067) 2.198 1.846 ( -0.871 0.549 -0.760) 1.280 1.940 ( -0.453 1.387 -1.465) 2.068 1.942 ( -2.918 1.455 -0.493) 3.298 2.090 ( 2.406 0.562 8.326) 8.685 2.516 ( -13.451 0.692 1.203) 13.522 2.575 ( -14.513 -0.104 -0.359) 14.518 2.829 ( 1.806 0.017 -9.499) 9.669 3.342 ( 4.222 0.009 2.092) 4.712 3.575 ( 4.378 0.022 -5.782) 7.253 3.677 ( -1.519 0.013 0.412) 1.574 3.727 ( -1.392 -0.100 1.111) 1.784 3.803 ( -0.023 0.046 -1.812) 1.813 3.905 ( -2.277 -0.008 -5.296) 5.765 3.972 ( -0.567 0.185 5.055) 5.090 4.139 ( -1.909 0.107 1.604) 2.495 4.304 ( -1.760 -0.069 9.264) 9.430 4.454 ( -1.330 -0.065 1.000) 1.665 4.611 ( -2.236 0.063 -0.103) 2.239 4.683 ( 0.265 0.056 -2.523) 2.538 4.795 ( 0.812 -1.553 -1.817) 2.525 4.832 ( 0.153 -0.187 1.605) 1.623 5.125 ( -0.893 -0.404 -0.318) 1.031 5.215 ( 4.519 -0.082 -2.685) 5.257 5.548 ( 2.479 0.219 1.543) 2.928 5.621 ( -1.189 -0.792 -0.190) 1.441 ======================= Grid point 194 (74/129) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -5.990 0.416 2.034) 6.339 0.901 ( -1.261 -0.846 -0.590) 1.629 0.976 ( -2.563 -1.052 0.082) 2.772 1.050 ( -2.323 -2.133 -0.861) 3.269 1.144 ( 1.103 -2.867 0.038) 3.072 1.190 ( -4.176 -1.978 3.770) 5.964 1.241 ( -6.129 -2.972 6.753) 9.592 1.446 ( -4.144 -0.190 0.487) 4.177 1.523 ( 0.506 1.142 -1.363) 1.849 1.555 ( 0.901 -0.441 -1.865) 2.117 1.730 ( -5.603 2.595 0.556) 6.199 1.798 ( -4.044 3.570 -1.384) 5.569 1.826 ( -6.082 1.057 0.442) 6.189 1.912 ( -2.572 -0.322 -2.477) 3.585 2.131 ( 1.702 1.141 7.949) 8.209 2.194 ( -17.753 0.690 1.240) 17.810 2.240 ( -18.940 -0.476 -0.074) 18.946 2.861 ( 1.598 0.578 -9.488) 9.639 3.425 ( 3.728 0.100 3.301) 4.981 3.632 ( -2.094 0.151 -0.527) 2.164 3.635 ( -0.434 0.090 -2.349) 2.390 3.709 ( 0.202 0.184 0.696) 0.747 3.765 ( -5.347 0.125 -2.579) 5.938 3.885 ( 0.277 0.185 -6.112) 6.121 4.013 ( 5.554 0.434 3.002) 6.328 4.112 ( -1.347 -0.387 -0.145) 1.409 4.284 ( -0.245 0.052 9.929) 9.932 4.420 ( -2.135 -0.200 0.275) 2.162 4.551 ( -3.450 0.205 1.880) 3.935 4.689 ( 0.222 0.478 -2.036) 2.103 4.778 ( -4.255 -4.967 0.320) 6.548 4.833 ( -0.247 -0.697 2.632) 2.733 5.129 ( 1.332 -0.548 0.588) 1.556 5.315 ( 5.347 0.407 -5.208) 7.475 5.597 ( 2.138 0.323 2.002) 2.947 5.623 ( 1.906 -0.920 0.685) 2.224 ======================= Grid point 195 (75/129) ======================= q-point: (-0.42 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -3.715 5.679 2.840) 7.356 0.815 ( -6.863 3.961 5.152) 9.451 0.910 ( -3.691 -1.429 -4.740) 6.175 1.035 ( -0.553 -1.833 -0.519) 1.984 1.109 ( -3.755 -1.862 11.306) 12.058 1.144 ( -3.961 -4.136 3.460) 6.691 1.219 ( -0.062 -3.529 -0.999) 3.668 1.377 ( -2.917 -0.323 1.424) 3.261 1.523 ( -0.388 1.211 -1.958) 2.335 1.552 ( -3.952 1.038 -1.698) 4.425 1.573 ( -7.595 2.768 0.014) 8.084 1.620 ( -7.355 3.191 -0.220) 8.020 1.729 ( -10.886 0.127 -0.600) 10.904 1.793 ( -7.137 -2.598 -1.264) 7.699 1.885 ( -14.807 -0.614 0.260) 14.822 1.948 ( -3.737 -0.430 -2.099) 4.308 2.165 ( 1.762 0.869 8.379) 8.606 2.887 ( 1.542 1.166 -9.712) 9.902 3.469 ( 0.636 0.252 2.649) 2.736 3.566 ( -4.069 0.244 -0.138) 4.079 3.575 ( -4.912 0.369 -1.748) 5.227 3.604 ( -9.759 0.377 -0.111) 9.767 3.750 ( 2.769 0.049 0.912) 2.916 3.909 ( 2.117 0.236 -5.973) 6.341 4.059 ( -3.145 -1.503 1.841) 3.942 4.126 ( 2.536 0.272 -0.368) 2.577 4.276 ( -1.181 0.141 5.242) 5.375 4.388 ( -0.769 -0.742 -0.689) 1.272 4.499 ( -1.415 0.637 5.127) 5.356 4.622 ( -8.672 -6.241 4.111) 11.448 4.760 ( 1.246 -2.703 -0.506) 3.019 4.833 ( -0.147 -1.316 3.726) 3.955 5.175 ( 2.764 -0.217 0.611) 2.839 5.400 ( 3.227 0.459 -7.746) 8.404 5.656 ( 4.710 -0.031 4.298) 6.376 5.687 ( 3.695 0.755 0.260) 3.780 ======================= Grid point 196 (76/129) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.179 11.157 4.293) 11.956 0.648 ( -6.270 6.190 11.532) 14.512 0.848 ( -3.034 0.388 -4.218) 5.211 0.966 ( -11.471 2.181 11.463) 16.363 1.046 ( 0.446 0.770 -2.015) 2.203 1.107 ( 0.404 -0.449 4.201) 4.244 1.199 ( -2.741 1.226 0.735) 3.091 1.324 ( -3.833 -2.499 0.972) 4.678 1.394 ( -9.416 -0.807 -1.682) 9.599 1.408 ( -3.804 -1.421 0.165) 4.064 1.477 ( -6.964 -0.526 1.450) 7.132 1.518 ( -4.805 -0.167 -1.385) 5.003 1.548 ( -1.194 0.561 -0.944) 1.622 1.705 ( -1.280 -0.522 -3.376) 3.648 1.786 ( -0.788 -3.423 0.268) 3.523 1.947 ( 1.724 -2.184 -5.661) 6.307 2.199 ( 2.458 1.038 8.030) 8.462 2.909 ( 1.345 1.510 -10.385) 10.580 3.412 ( -8.281 0.207 0.385) 8.293 3.451 ( -3.311 0.262 -0.343) 3.339 3.463 ( -4.583 0.146 -1.028) 4.700 3.476 ( -5.667 0.035 -1.999) 6.009 3.794 ( 1.529 0.081 1.789) 2.355 3.952 ( 1.314 -2.408 3.852) 4.729 4.004 ( -2.246 -3.209 1.904) 4.355 4.118 ( -2.072 0.535 -0.165) 2.146 4.213 ( -6.614 -1.994 1.202) 7.011 4.388 ( -3.034 -2.745 4.739) 6.261 4.427 ( -3.090 -1.317 2.813) 4.381 4.554 ( -0.289 -3.409 8.884) 9.521 4.807 ( 1.688 -0.399 -0.704) 1.872 4.849 ( 0.939 -2.622 4.230) 5.065 5.225 ( 1.957 0.052 0.699) 2.079 5.438 ( 1.101 -0.079 -7.572) 7.652 5.742 ( 2.498 1.831 0.544) 3.144 5.768 ( 5.858 0.768 2.458) 6.399 ======================= Grid point 197 (77/129) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -0.000 10.646 8.889) 13.869 0.533 ( -0.000 9.851 8.940) 13.302 0.741 ( -0.000 9.213 11.013) 14.358 0.840 ( -0.000 1.127 1.782) 2.108 1.030 ( -0.000 3.492 -5.136) 6.211 1.120 ( -0.000 1.870 4.450) 4.827 1.183 ( 0.000 -3.203 1.162) 3.407 1.268 ( 0.000 -0.848 0.309) 0.903 1.282 ( 0.000 -1.957 -0.095) 1.960 1.410 ( 0.000 -2.729 0.817) 2.849 1.425 ( 0.000 -2.621 0.594) 2.687 1.463 ( 0.000 -0.758 -0.373) 0.845 1.548 ( 0.000 -0.160 -1.285) 1.295 1.703 ( -0.000 0.129 -3.052) 3.055 1.806 ( 0.000 -4.654 -0.115) 4.656 1.992 ( 0.000 -2.030 -8.409) 8.650 2.237 ( -0.000 0.784 4.129) 4.203 2.916 ( -0.000 1.625 -11.079) 11.198 3.322 ( -0.000 0.245 0.354) 0.430 3.333 ( -0.000 0.282 -0.017) 0.283 3.416 ( 0.000 -0.110 0.095) 0.145 3.442 ( -0.000 0.082 -0.469) 0.476 3.808 ( 0.000 -0.302 2.963) 2.978 3.992 ( 0.000 -9.283 17.220) 19.563 4.036 ( 0.000 -2.733 3.004) 4.062 4.082 ( -0.000 0.305 -0.041) 0.308 4.088 ( -0.000 0.251 -0.187) 0.313 4.348 ( 0.000 -1.857 7.536) 7.761 4.429 ( 0.000 -0.567 1.457) 1.563 4.571 ( 0.000 -2.359 6.934) 7.324 4.822 ( 0.000 -0.170 0.452) 0.483 4.880 ( 0.000 -3.185 3.739) 4.912 5.244 ( -0.000 0.158 0.788) 0.804 5.450 ( 0.000 -0.291 -7.450) 7.456 5.756 ( -0.000 2.339 0.613) 2.418 5.833 ( -0.000 0.616 0.279) 0.676 ======================= Grid point 204 (78/129) ======================= q-point: (-0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -5.778 0.000 0.904) 5.849 0.894 ( -0.742 0.000 -0.126) 0.753 0.979 ( -0.735 0.000 4.087) 4.153 1.082 ( -0.739 0.000 -0.312) 0.802 1.095 ( 0.607 -0.000 -0.269) 0.664 1.259 ( -5.028 0.000 -2.439) 5.589 1.380 ( -7.892 0.000 6.294) 10.094 1.507 ( 0.147 -0.000 -0.984) 0.995 1.530 ( -1.940 0.000 0.202) 1.950 1.539 ( -0.480 0.000 -0.677) 0.830 1.815 ( -1.510 0.000 -0.171) 1.520 1.849 ( -0.054 0.000 -0.687) 0.689 1.948 ( -0.623 0.000 -1.479) 1.605 1.950 ( -3.116 0.000 -0.381) 3.139 2.094 ( 2.559 -0.000 8.188) 8.579 2.519 ( -13.446 0.000 1.130) 13.493 2.575 ( -14.564 0.000 -0.323) 14.568 2.829 ( 1.925 -0.000 -9.517) 9.710 3.342 ( 4.235 -0.000 2.047) 4.704 3.576 ( 4.382 -0.000 -5.838) 7.300 3.677 ( -1.508 0.000 0.397) 1.559 3.727 ( -1.317 0.000 1.044) 1.680 3.803 ( -0.022 0.000 -1.846) 1.846 3.905 ( -2.250 0.000 -5.317) 5.774 3.973 ( -0.543 0.000 5.073) 5.102 4.139 ( -1.946 0.000 1.585) 2.510 4.304 ( -1.763 0.000 9.282) 9.448 4.454 ( -1.344 0.000 0.976) 1.661 4.612 ( -2.252 0.000 -0.119) 2.256 4.683 ( 0.337 -0.000 -2.468) 2.491 4.787 ( 0.430 -0.000 -1.731) 1.784 4.831 ( 0.095 -0.000 1.564) 1.566 5.123 ( -0.982 0.000 -0.224) 1.007 5.215 ( 4.630 -0.000 -2.620) 5.320 5.549 ( 2.606 -0.000 1.316) 2.920 5.617 ( -1.330 0.000 -0.167) 1.340 ======================= Grid point 206 (79/129) ======================= q-point: (-0.58 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -3.894 0.949 0.931) 4.115 0.885 ( -0.732 -1.350 -0.991) 1.827 0.975 ( -0.278 0.379 2.694) 2.735 1.029 ( -4.471 -1.451 -1.675) 4.990 1.126 ( 1.762 -0.672 -0.573) 1.970 1.173 ( -3.950 -0.983 1.887) 4.487 1.221 ( -7.919 -0.923 9.264) 12.222 1.445 ( -4.075 -0.034 0.387) 4.093 1.534 ( 0.349 0.884 -1.659) 1.912 1.549 ( 1.151 -0.633 -1.904) 2.313 1.750 ( -5.008 1.049 0.823) 5.183 1.820 ( -2.494 0.591 -0.499) 2.611 1.840 ( -7.733 1.382 -0.423) 7.867 1.905 ( -3.695 -0.616 -3.010) 4.806 2.139 ( 2.010 0.366 8.338) 8.584 2.200 ( -18.108 0.326 0.914) 18.134 2.237 ( -19.180 -0.186 -0.006) 19.181 2.866 ( 1.779 0.212 -9.415) 9.584 3.426 ( 3.765 0.034 3.279) 4.993 3.634 ( -2.756 0.062 0.479) 2.798 3.636 ( 0.395 0.030 -3.405) 3.428 3.710 ( 0.240 0.063 0.503) 0.561 3.766 ( -5.342 0.060 -2.425) 5.867 3.886 ( 0.366 0.076 -6.157) 6.168 4.017 ( 5.814 0.213 2.836) 6.472 4.109 ( -1.832 -0.178 -0.177) 1.849 4.284 ( -0.131 0.020 10.035) 10.036 4.418 ( -2.200 -0.064 0.268) 2.217 4.552 ( -3.390 0.039 2.002) 3.937 4.696 ( 0.851 0.671 -1.903) 2.190 4.738 ( -6.119 -2.381 0.910) 6.628 4.829 ( -0.336 -0.203 2.460) 2.491 5.126 ( 1.486 -0.174 0.676) 1.642 5.317 ( 5.471 0.128 -5.193) 7.544 5.601 ( 0.899 0.334 2.021) 2.236 5.615 ( 3.375 -0.546 0.384) 3.440 ======================= Grid point 207 (80/129) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -0.331 5.917 0.540) 5.951 0.849 ( -4.970 1.874 4.002) 6.650 0.897 ( -4.345 -0.654 -3.911) 5.883 1.013 ( 0.504 -2.357 1.892) 3.065 1.082 ( -6.106 -3.032 13.781) 15.375 1.116 ( -1.591 -0.451 1.551) 2.267 1.179 ( 0.726 -3.529 -1.227) 3.806 1.377 ( -2.677 0.146 1.162) 2.922 1.535 ( -0.151 0.938 -2.251) 2.444 1.557 ( -2.094 0.073 -2.206) 3.042 1.604 ( -9.087 2.720 0.812) 9.521 1.650 ( -9.340 2.024 0.004) 9.557 1.731 ( -12.075 0.272 -1.003) 12.120 1.769 ( -6.562 -1.876 -1.392) 6.965 1.879 ( -15.002 -0.394 0.485) 15.015 1.941 ( -5.090 -0.712 -2.517) 5.723 2.172 ( 1.760 0.482 8.780) 8.968 2.897 ( 1.663 0.655 -9.431) 9.599 3.471 ( 0.666 0.132 2.728) 2.811 3.568 ( -3.845 0.133 0.429) 3.871 3.578 ( -5.329 0.211 -2.198) 5.768 3.608 ( -9.579 0.255 -0.129) 9.583 3.751 ( 2.838 0.070 0.929) 2.987 3.912 ( 2.000 0.208 -6.173) 6.492 4.046 ( -4.761 -0.945 2.365) 5.400 4.129 ( 3.230 0.261 -0.458) 3.273 4.277 ( -1.489 0.056 4.875) 5.098 4.382 ( -0.981 -0.372 -0.948) 1.414 4.504 ( -1.380 0.323 5.636) 5.811 4.562 ( -10.665 -4.444 7.167) 13.596 4.745 ( 2.800 -0.658 -1.573) 3.279 4.823 ( -0.336 -0.624 3.295) 3.371 5.174 ( 2.903 -0.122 0.648) 2.977 5.403 ( 2.966 0.194 -7.647) 8.204 5.655 ( 5.123 -0.026 4.287) 6.680 5.693 ( 4.101 0.412 0.075) 4.122 ======================= Grid point 208 (81/129) ======================= q-point: (-0.42 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.981 10.335 2.987) 10.803 0.709 ( -4.924 5.445 10.541) 12.845 0.845 ( -2.333 -0.775 -2.498) 3.505 0.959 ( -7.555 -3.068 10.314) 13.148 1.054 ( 1.985 0.557 0.791) 2.208 1.111 ( 0.841 1.164 3.352) 3.647 1.200 ( -0.516 -1.518 -0.562) 1.699 1.315 ( -5.200 0.864 1.762) 5.558 1.386 ( -9.727 -0.841 -1.187) 9.835 1.395 ( -6.874 -0.953 -0.340) 6.948 1.476 ( -8.630 0.258 1.891) 8.838 1.518 ( -5.042 0.108 -1.418) 5.238 1.556 ( -1.215 0.930 -1.064) 1.863 1.695 ( -0.586 -1.286 -3.736) 3.994 1.757 ( -1.773 -2.035 0.315) 2.718 1.922 ( 1.018 -2.423 -6.396) 6.915 2.208 ( 2.218 0.524 8.829) 9.118 2.923 ( 1.358 1.044 -9.850) 9.998 3.414 ( -8.251 0.144 0.414) 8.262 3.453 ( -3.662 0.168 -0.165) 3.669 3.465 ( -4.915 0.199 -1.320) 5.093 3.476 ( -5.661 -0.080 -1.539) 5.867 3.797 ( 1.569 0.338 2.067) 2.616 3.913 ( -4.485 -4.197 13.444) 14.781 3.987 ( 1.377 -0.431 -4.018) 4.269 4.124 ( -2.295 0.474 -0.168) 2.349 4.197 ( -7.104 -1.020 0.304) 7.184 4.368 ( -3.613 -1.056 5.900) 6.999 4.409 ( -0.812 -1.888 -0.644) 2.153 4.533 ( 1.275 -1.025 11.193) 11.312 4.805 ( 2.361 -0.061 -1.383) 2.737 4.827 ( 0.404 -1.595 3.782) 4.125 5.225 ( 2.030 -0.001 0.724) 2.155 5.437 ( 0.918 -0.096 -6.992) 7.052 5.758 ( 2.706 1.188 0.394) 2.981 5.774 ( 5.928 0.445 2.540) 6.465 ======================= Grid point 209 (82/129) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -0.000 8.443 13.099) 15.585 0.630 ( -0.000 8.228 7.477) 11.117 0.812 ( -0.000 2.860 -2.837) 4.028 0.861 ( -0.000 3.446 10.878) 11.411 1.069 ( -0.000 3.918 -4.530) 5.990 1.126 ( 0.000 -0.550 2.856) 2.909 1.177 ( -0.000 2.271 3.793) 4.421 1.249 ( 0.000 -2.682 -0.188) 2.689 1.265 ( 0.000 -1.071 -0.060) 1.073 1.378 ( 0.000 -3.250 1.159) 3.451 1.396 ( 0.000 -2.629 1.058) 2.833 1.457 ( 0.000 -0.432 -0.567) 0.713 1.551 ( -0.000 0.559 -1.757) 1.844 1.701 ( 0.000 -0.417 -3.287) 3.314 1.760 ( 0.000 -3.752 -0.384) 3.772 1.963 ( 0.000 -3.287 -9.240) 9.808 2.241 ( 0.000 -0.020 6.395) 6.395 2.931 ( -0.000 1.298 -10.385) 10.466 3.324 ( -0.000 0.215 0.372) 0.430 3.336 ( -0.000 0.254 -0.020) 0.254 3.414 ( 0.000 -0.103 0.129) 0.165 3.443 ( -0.000 0.068 -0.472) 0.477 3.805 ( 0.000 -0.288 6.086) 6.093 3.895 ( 0.000 -7.332 23.512) 24.629 4.033 ( -0.000 0.526 -5.929) 5.952 4.085 ( -0.000 0.277 -0.068) 0.285 4.091 ( -0.000 0.203 -0.196) 0.282 4.335 ( 0.000 -0.683 6.087) 6.126 4.421 ( 0.000 -0.936 -1.445) 1.722 4.553 ( 0.000 -1.122 9.903) 9.966 4.821 ( 0.000 -0.130 1.260) 1.267 4.852 ( 0.000 -2.161 1.627) 2.705 5.245 ( -0.000 0.085 0.806) 0.810 5.447 ( 0.000 -0.246 -6.633) 6.638 5.777 ( -0.000 1.747 0.541) 1.829 5.838 ( -0.000 0.405 0.884) 0.973 ======================= Grid point 218 (83/129) ======================= q-point: (-0.58 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 1.341 -0.000 -1.396) 1.936 0.852 ( -3.000 0.000 2.445) 3.870 0.899 ( -6.577 0.000 -1.941) 6.857 0.996 ( 1.798 -0.000 2.874) 3.390 1.064 ( -7.412 0.000 14.404) 16.199 1.119 ( -1.225 0.000 1.856) 2.224 1.156 ( 1.032 -0.000 -1.548) 1.861 1.378 ( -2.546 0.000 1.033) 2.748 1.541 ( -0.130 0.000 -2.529) 2.533 1.557 ( -1.694 0.000 -2.052) 2.661 1.621 ( -9.104 0.000 1.076) 9.168 1.660 ( -10.021 0.000 0.030) 10.021 1.734 ( -14.137 0.000 -1.133) 14.182 1.758 ( -4.668 0.000 -1.494) 4.901 1.877 ( -15.098 0.000 0.558) 15.108 1.936 ( -5.640 0.000 -2.696) 6.251 2.175 ( 1.739 -0.000 8.923) 9.091 2.900 ( 1.703 -0.000 -9.332) 9.486 3.472 ( 0.677 -0.000 2.753) 2.835 3.569 ( -3.767 0.000 0.640) 3.821 3.579 ( -5.499 0.000 -2.359) 5.984 3.609 ( -9.484 0.000 -0.165) 9.486 3.751 ( 2.871 -0.000 0.945) 3.022 3.913 ( 1.959 -0.000 -6.263) 6.562 4.040 ( -5.424 0.000 2.572) 6.003 4.130 ( 3.518 -0.000 -0.511) 3.555 4.278 ( -1.628 0.000 4.717) 4.990 4.380 ( -1.031 0.000 -1.093) 1.502 4.506 ( -1.359 0.000 5.828) 5.984 4.538 ( -10.961 0.000 8.152) 13.660 4.741 ( 3.039 -0.000 -1.792) 3.528 4.820 ( -0.399 0.000 3.153) 3.178 5.173 ( 2.944 -0.000 0.657) 3.017 5.404 ( 2.877 -0.000 -7.599) 8.125 5.655 ( 5.264 -0.000 4.285) 6.787 5.695 ( 4.244 -0.000 0.019) 4.244 ======================= Grid point 220 (84/129) ======================= q-point: (-0.50 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -4.678 2.340 10.791) 11.992 0.782 ( 1.913 7.410 -1.252) 7.755 0.833 ( -1.433 -1.774 -1.858) 2.942 0.917 ( -7.511 -3.753 13.590) 15.975 1.054 ( 3.775 -0.306 2.619) 4.605 1.130 ( 2.152 2.212 2.026) 3.691 1.174 ( 0.336 -2.706 -1.341) 3.038 1.333 ( -3.684 1.920 1.752) 4.509 1.372 ( -10.169 -1.517 0.206) 10.284 1.391 ( -10.882 0.008 -1.340) 10.964 1.480 ( -9.489 0.327 2.192) 9.745 1.520 ( -5.209 0.088 -1.522) 5.427 1.565 ( -1.283 0.550 -0.841) 1.630 1.683 ( -0.255 -0.803 -4.129) 4.214 1.744 ( -2.187 -0.554 0.333) 2.281 1.902 ( 0.442 -1.142 -6.756) 6.866 2.211 ( 2.025 0.152 9.303) 9.522 2.930 ( 1.360 0.370 -9.563) 9.666 3.415 ( -8.227 0.051 0.426) 8.238 3.455 ( -3.866 0.056 -0.070) 3.867 3.467 ( -5.320 0.119 -1.705) 5.588 3.475 ( -5.483 -0.079 -1.099) 5.593 3.801 ( 1.939 0.313 1.940) 2.760 3.879 ( -6.682 -1.854 16.343) 17.753 3.986 ( 2.453 0.007 -5.075) 5.636 4.127 ( -2.510 0.201 -0.181) 2.524 4.191 ( -6.850 -0.289 -0.196) 6.859 4.363 ( -4.019 -0.055 6.904) 7.989 4.392 ( 0.910 -1.061 -2.774) 3.107 4.527 ( 1.495 -0.178 12.362) 12.454 4.804 ( 2.790 -0.077 -1.808) 3.326 4.816 ( -0.080 -0.468 3.708) 3.738 5.225 ( 2.070 -0.008 0.724) 2.193 5.436 ( 0.843 -0.036 -6.682) 6.735 5.766 ( 2.826 0.414 0.349) 2.877 5.777 ( 5.959 0.147 2.633) 6.517 ======================= Grid point 221 (85/129) ======================= q-point: (-0.42 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -0.000 4.853 6.730) 8.297 0.701 ( -0.000 5.437 16.090) 16.984 0.823 ( -0.000 0.618 1.383) 1.515 0.883 ( 0.000 -0.201 2.935) 2.942 1.110 ( -0.000 3.529 -4.224) 5.504 1.131 ( -0.000 1.481 4.809) 5.032 1.209 ( -0.000 3.079 2.457) 3.939 1.218 ( 0.000 -2.952 -0.051) 2.952 1.255 ( 0.000 -0.832 -0.667) 1.066 1.344 ( 0.000 -3.006 2.063) 3.646 1.373 ( 0.000 -1.584 1.626) 2.270 1.454 ( 0.000 -0.197 -0.716) 0.742 1.558 ( -0.000 0.734 -1.818) 1.961 1.694 ( 0.000 -0.857 -3.798) 3.893 1.731 ( 0.000 -1.624 -0.380) 1.668 1.928 ( 0.000 -2.818 -9.374) 9.788 2.239 ( 0.000 -0.147 8.113) 8.114 2.942 ( -0.000 0.711 -9.941) 9.967 3.326 ( -0.000 0.125 0.386) 0.406 3.338 ( -0.000 0.151 -0.024) 0.153 3.414 ( 0.000 -0.063 0.156) 0.168 3.444 ( -0.000 0.038 -0.474) 0.476 3.802 ( 0.000 -0.277 15.360) 15.363 3.840 ( 0.000 -3.210 13.738) 14.108 4.040 ( -0.000 0.523 -6.774) 6.795 4.088 ( -0.000 0.168 -0.092) 0.192 4.092 ( -0.000 0.108 -0.199) 0.226 4.331 ( 0.000 -0.155 5.562) 5.565 4.410 ( 0.000 -1.004 -3.338) 3.486 4.546 ( 0.000 -0.347 12.460) 12.464 4.817 ( 0.000 -0.537 3.276) 3.319 4.837 ( 0.000 -0.656 -1.083) 1.266 5.246 ( -0.000 0.029 0.798) 0.798 5.445 ( 0.000 -0.125 -6.119) 6.120 5.792 ( -0.000 0.943 0.552) 1.093 5.842 ( -0.000 0.215 1.288) 1.306 ======================= Grid point 233 (86/129) ======================= q-point: ( 0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -0.000 0.000 6.513) 6.513 0.731 ( -0.000 0.000 16.407) 16.407 0.831 ( -0.000 0.000 10.547) 10.547 0.873 ( -0.000 0.000 -6.616) 6.616 1.133 ( -0.000 0.000 -4.578) 4.578 1.142 ( -0.000 0.000 5.296) 5.296 1.198 ( 0.000 -0.000 0.471) 0.471 1.228 ( -0.000 0.000 1.561) 1.561 1.250 ( -0.000 0.000 -0.974) 0.974 1.325 ( -0.000 0.000 2.846) 2.846 1.365 ( -0.000 0.000 1.893) 1.893 1.453 ( -0.000 0.000 -0.768) 0.768 1.563 ( -0.000 0.000 -1.709) 1.709 1.688 ( -0.000 0.000 -4.107) 4.107 1.723 ( -0.000 0.000 -0.357) 0.357 1.912 ( -0.000 0.000 -9.313) 9.313 2.238 ( -0.000 0.000 8.701) 8.701 2.946 ( -0.000 0.000 -9.790) 9.790 3.327 ( -0.000 0.000 0.392) 0.392 3.339 ( -0.000 0.000 -0.026) 0.026 3.413 ( -0.000 0.000 0.166) 0.166 3.444 ( -0.000 0.000 -0.475) 0.475 3.800 ( 0.000 -0.000 26.214) 26.214 3.824 ( -0.000 0.000 2.493) 2.493 4.043 ( -0.000 0.000 -7.007) 7.007 4.089 ( -0.000 0.000 -0.101) 0.101 4.093 ( -0.000 0.000 -0.198) 0.198 4.331 ( -0.000 0.000 5.484) 5.484 4.404 ( -0.000 0.000 -3.889) 3.889 4.544 ( -0.000 0.000 13.290) 13.290 4.813 ( -0.000 0.000 3.720) 3.720 4.834 ( -0.000 0.000 -1.759) 1.759 5.246 ( -0.000 0.000 0.791) 0.791 5.444 ( -0.000 0.000 -5.946) 5.946 5.797 ( -0.000 0.000 0.566) 0.566 5.843 ( -0.000 0.000 1.431) 1.431 ======================= Grid point 302 (87/129) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 0.000 0.000 12.027) 12.027 0.582 ( 0.000 0.000 14.227) 14.227 0.600 ( 0.000 0.000 -11.024) 11.024 0.811 ( 0.000 0.000 -10.885) 10.885 0.959 ( 0.000 0.000 11.925) 11.925 1.122 ( 0.000 0.000 -7.490) 7.490 1.292 ( 0.000 0.000 0.798) 0.798 1.304 ( 0.000 0.000 15.527) 15.527 1.305 ( 0.000 0.000 -0.621) 0.621 1.472 ( 0.000 0.000 0.642) 0.642 1.483 ( 0.000 0.000 -0.530) 0.530 1.515 ( 0.000 0.000 -1.433) 1.433 1.563 ( 0.000 0.000 -6.009) 6.009 1.564 ( 0.000 0.000 -1.131) 1.131 1.927 ( 0.000 0.000 2.083) 2.083 1.970 ( 0.000 0.000 -2.350) 2.350 2.318 ( 0.000 0.000 11.287) 11.287 2.589 ( 0.000 0.000 -17.427) 17.427 3.323 ( 0.000 0.000 0.291) 0.291 3.327 ( 0.000 0.000 -0.099) 0.099 3.421 ( 0.000 0.000 0.350) 0.350 3.430 ( 0.000 0.000 -0.623) 0.623 3.855 ( 0.000 0.000 3.012) 3.012 3.924 ( 0.000 0.000 -4.615) 4.615 4.077 ( 0.000 0.000 0.087) 0.087 4.080 ( 0.000 0.000 -0.182) 0.182 4.332 ( 0.000 0.000 4.396) 4.396 4.420 ( 0.000 0.000 -5.327) 5.327 4.535 ( 0.000 0.000 7.998) 7.998 4.663 ( 0.000 0.000 -5.706) 5.706 4.978 ( 0.000 0.000 4.874) 4.874 5.054 ( 0.000 0.000 -3.609) 3.609 5.267 ( 0.000 0.000 2.069) 2.069 5.325 ( 0.000 0.000 -4.431) 4.431 5.742 ( 0.000 0.000 3.068) 3.068 5.784 ( 0.000 0.000 -1.642) 1.642 ======================= Grid point 303 (88/129) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 9.457 -1.120 9.224) 13.258 0.661 ( 6.979 -0.925 1.268) 7.153 0.678 ( 6.498 -1.668 1.004) 6.784 0.865 ( 4.434 -1.029 -9.860) 10.860 1.045 ( 7.506 -1.091 7.820) 10.894 1.153 ( 3.134 -0.361 -4.684) 5.647 1.319 ( 1.884 -0.028 13.259) 13.392 1.387 ( 7.048 0.234 -0.161) 7.054 1.407 ( 8.298 0.405 0.926) 8.360 1.477 ( 0.526 0.459 -0.273) 0.749 1.509 ( -0.155 0.520 -0.018) 0.543 1.519 ( 1.910 0.440 -0.933) 2.171 1.548 ( 2.750 0.309 0.564) 2.824 1.608 ( 6.369 -0.115 -6.196) 8.887 1.902 ( -1.856 1.083 2.063) 2.979 1.945 ( -2.067 0.942 -2.299) 3.232 2.312 ( -0.609 -1.038 11.918) 11.978 2.586 ( -0.409 -0.947 -17.126) 17.157 3.411 ( 7.862 -0.117 0.238) 7.866 3.418 ( 7.318 -0.189 -0.829) 7.367 3.454 ( 2.909 0.008 -0.175) 2.915 3.455 ( 2.671 -0.079 -0.227) 2.682 3.835 ( -1.992 0.066 2.766) 3.409 3.896 ( -2.770 0.112 -3.903) 4.788 4.097 ( 1.588 0.107 0.327) 1.625 4.101 ( 1.623 -0.175 -0.178) 1.642 4.327 ( 0.019 0.537 3.851) 3.888 4.404 ( -1.181 0.680 -4.589) 4.787 4.544 ( 0.593 -0.604 6.685) 6.738 4.653 ( -0.960 -0.396 -4.936) 5.044 4.963 ( -0.969 1.378 4.695) 4.988 5.035 ( -1.108 2.601 -3.257) 4.313 5.245 ( -2.040 -0.136 2.312) 3.086 5.307 ( -1.835 -0.280 -4.614) 4.974 5.727 ( -1.544 -0.337 2.572) 3.019 5.755 ( -2.649 -0.350 -0.462) 2.712 ======================= Grid point 304 (89/129) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 11.513 1.597 6.517) 13.326 0.823 ( 6.501 -2.082 6.179) 9.207 0.830 ( 9.512 0.934 -5.422) 10.988 0.958 ( 3.968 -0.808 -7.447) 8.477 1.197 ( 6.056 -1.135 2.224) 6.550 1.232 ( 3.686 -1.008 -1.275) 4.028 1.379 ( 3.741 0.082 8.504) 9.290 1.446 ( 1.100 0.742 -0.502) 1.419 1.506 ( 1.070 1.854 -0.057) 2.142 1.521 ( 1.735 0.127 -1.084) 2.049 1.528 ( 5.242 0.366 0.240) 5.260 1.541 ( 3.705 -0.641 -0.977) 3.885 1.771 ( 12.638 1.116 4.260) 13.384 1.844 ( 10.672 2.384 -2.544) 11.227 1.883 ( 7.676 -1.062 0.013) 7.749 1.900 ( -0.164 -1.389 -1.553) 2.090 2.310 ( -0.195 -1.173 12.831) 12.886 2.587 ( -0.003 -1.235 -16.450) 16.496 3.500 ( 1.911 -0.232 1.922) 2.721 3.529 ( 3.817 -0.174 -1.490) 4.101 3.560 ( 5.957 -0.390 0.682) 6.008 3.580 ( 8.304 -0.323 -1.172) 8.393 3.779 ( -3.496 0.150 1.987) 4.024 3.827 ( -3.634 0.128 -3.386) 4.969 4.108 ( -1.111 0.229 0.519) 1.247 4.117 ( -0.134 0.058 -0.448) 0.471 4.349 ( 2.657 0.309 2.935) 3.971 4.393 ( 1.098 0.626 -2.100) 2.451 4.560 ( 0.667 -0.895 5.160) 5.279 4.639 ( -0.585 -0.556 -3.576) 3.666 4.933 ( -1.207 1.577 3.807) 4.294 4.991 ( -1.811 3.306 -2.658) 4.613 5.201 ( -2.222 -0.007 1.813) 2.868 5.261 ( -2.937 -0.501 -4.557) 5.445 5.693 ( -1.844 0.104 1.476) 2.364 5.700 ( -2.790 -0.017 0.903) 2.933 ======================= Grid point 305 (90/129) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 8.754 3.241 3.934) 10.130 0.925 ( 3.195 -0.094 2.536) 4.080 1.002 ( 8.470 2.504 -2.648) 9.221 1.023 ( 3.211 0.482 -3.969) 5.128 1.274 ( 1.216 1.128 0.885) 1.880 1.288 ( 2.836 0.976 -0.308) 3.015 1.438 ( 2.808 0.854 3.648) 4.682 1.476 ( 1.667 -0.297 -0.967) 1.950 1.518 ( 1.452 2.971 1.129) 3.494 1.539 ( 0.763 1.226 -0.846) 1.674 1.645 ( 5.971 -1.615 0.223) 6.190 1.655 ( 6.414 -1.943 -0.882) 6.760 1.801 ( -1.299 -2.175 2.283) 3.410 1.836 ( -2.630 -2.507 -1.505) 3.933 2.181 ( 17.569 -0.992 4.300) 18.115 2.233 ( 18.738 0.056 -1.788) 18.823 2.317 ( 0.950 -0.434 12.650) 12.693 2.595 ( 0.126 -0.754 -15.906) 15.925 3.494 ( -3.151 -0.084 4.356) 5.378 3.567 ( -1.393 -0.028 -3.678) 3.933 3.650 ( 3.242 -0.115 1.907) 3.763 3.698 ( 2.014 0.095 -3.064) 3.668 3.737 ( 1.901 -0.286 2.017) 2.786 3.790 ( 0.534 -0.122 -3.841) 3.880 4.067 ( -1.814 0.083 3.095) 3.589 4.109 ( -0.113 0.212 -1.524) 1.543 4.410 ( 3.106 0.073 3.736) 4.859 4.435 ( 2.847 0.317 0.009) 2.864 4.584 ( 1.411 -0.596 3.304) 3.642 4.637 ( 0.053 -0.359 -2.539) 2.565 4.897 ( -1.803 1.295 1.956) 2.958 4.926 ( -3.292 2.510 -1.745) 4.493 5.163 ( -1.560 0.434 0.639) 1.741 5.204 ( -2.968 -0.548 -3.704) 4.778 5.647 ( -2.134 0.746 2.009) 3.024 5.665 ( -1.030 0.746 0.049) 1.273 ======================= Grid point 306 (91/129) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.284 0.918 1.212) 1.547 0.976 ( 1.003 2.071 -1.108) 2.554 1.104 ( 4.111 2.242 0.783) 4.748 1.113 ( 3.848 2.745 -0.002) 4.727 1.267 ( 0.860 4.545 2.703) 5.358 1.326 ( 3.089 4.269 -3.372) 6.256 1.492 ( 2.398 0.718 1.482) 2.909 1.495 ( 1.020 0.300 0.693) 1.269 1.543 ( 1.912 0.892 0.156) 2.116 1.547 ( 0.965 1.143 -0.278) 1.522 1.729 ( 0.451 -2.723 2.201) 3.530 1.769 ( 1.956 -2.186 -1.994) 3.547 1.813 ( -0.220 -5.175 0.200) 5.183 1.825 ( 2.344 -4.324 -1.139) 5.048 2.299 ( -0.409 -0.157 15.879) 15.885 2.523 ( 13.579 -0.471 2.265) 13.774 2.559 ( 13.159 -0.079 -1.919) 13.298 2.596 ( 0.455 0.003 -15.251) 15.258 3.403 ( -5.058 0.213 4.048) 6.482 3.483 ( -5.404 0.221 -4.757) 7.203 3.695 ( 1.551 0.131 1.469) 2.140 3.727 ( 1.698 0.303 -1.769) 2.470 3.800 ( 3.476 0.061 1.368) 3.736 3.837 ( 3.753 0.118 -2.742) 4.650 4.056 ( 0.261 -0.164 4.715) 4.725 4.120 ( 1.272 -0.107 -2.324) 2.651 4.466 ( 2.875 0.132 5.436) 6.151 4.486 ( 2.375 0.228 1.499) 2.818 4.612 ( 0.871 -0.201 0.931) 1.290 4.639 ( -0.130 -0.126 -1.892) 1.901 4.835 ( -4.504 1.651 -0.664) 4.843 4.851 ( -2.664 0.709 -1.097) 2.967 5.136 ( -1.017 0.433 -0.232) 1.129 5.156 ( -2.105 -0.311 -2.410) 3.214 5.608 ( -1.370 0.977 2.884) 3.339 5.646 ( -0.469 1.102 -1.262) 1.740 ======================= Grid point 307 (92/129) ======================= q-point: ( 0.42 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -0.350 0.739 0.776) 1.127 0.967 ( -0.638 0.935 -1.521) 1.896 1.104 ( -1.244 2.215 2.109) 3.302 1.127 ( -0.535 2.523 -0.453) 2.618 1.292 ( 3.148 3.717 4.937) 6.936 1.380 ( 3.974 3.293 -4.413) 6.791 1.494 ( -0.076 0.325 2.294) 2.318 1.539 ( 1.597 0.224 -0.430) 1.669 1.556 ( 0.679 0.899 -0.869) 1.423 1.576 ( 1.235 0.008 -1.311) 1.801 1.727 ( -1.227 -2.675 1.397) 3.258 1.750 ( -2.714 -3.403 -1.172) 4.507 1.877 ( 2.076 -3.079 0.804) 3.799 1.894 ( 2.098 -2.072 -1.027) 3.122 2.285 ( -0.663 0.217 15.760) 15.775 2.574 ( -0.872 0.467 -14.699) 14.732 2.729 ( 6.632 -0.452 1.746) 6.873 2.762 ( 6.444 -0.118 -1.611) 6.643 3.322 ( -2.831 0.252 3.266) 4.330 3.395 ( -3.070 0.200 -4.852) 5.745 3.713 ( 0.439 0.175 1.448) 1.523 3.749 ( 0.674 0.336 -2.477) 2.589 3.883 ( 4.929 0.365 2.541) 5.558 3.917 ( 3.911 0.325 -1.766) 4.304 4.057 ( -0.697 -0.338 6.065) 6.114 4.155 ( 1.885 -0.264 -4.192) 4.604 4.523 ( 2.499 0.118 5.863) 6.374 4.526 ( 2.250 0.105 5.002) 5.486 4.616 ( -0.236 -0.002 -0.396) 0.461 4.631 ( -0.623 -0.006 -2.080) 2.171 4.733 ( -4.930 0.846 -0.722) 5.054 4.799 ( -2.185 0.306 -4.416) 4.936 5.118 ( -0.682 0.082 -0.402) 0.796 5.127 ( -0.938 0.059 -1.516) 1.784 5.583 ( -0.736 0.649 3.418) 3.556 5.634 ( -0.283 0.758 -2.127) 2.276 ======================= Grid point 308 (93/129) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.000 -0.000 0.564) 0.564 0.955 ( 0.000 -0.000 -0.966) 0.966 1.081 ( 0.000 -0.000 2.163) 2.163 1.109 ( 0.000 -0.000 -0.901) 0.901 1.316 ( 0.000 -0.000 5.942) 5.942 1.416 ( 0.000 -0.000 -4.517) 4.517 1.492 ( 0.000 -0.000 2.557) 2.557 1.552 ( 0.000 -0.000 2.192) 2.192 1.561 ( 0.000 -0.000 -4.752) 4.752 1.587 ( 0.000 -0.000 -1.790) 1.790 1.724 ( 0.000 -0.000 0.202) 0.202 1.728 ( 0.000 -0.000 -0.192) 0.192 1.907 ( 0.000 0.000 1.221) 1.221 1.919 ( 0.000 -0.000 -0.364) 0.364 2.278 ( 0.000 -0.000 15.370) 15.370 2.562 ( 0.000 -0.000 -14.623) 14.623 2.793 ( 0.000 -0.000 1.613) 1.613 2.823 ( 0.000 -0.000 -1.416) 1.416 3.294 ( 0.000 -0.000 3.012) 3.012 3.365 ( 0.000 -0.000 -4.889) 4.889 3.716 ( 0.000 -0.000 1.476) 1.476 3.754 ( 0.000 -0.000 -2.660) 2.660 3.949 ( -0.000 -0.000 0.438) 0.438 3.958 ( 0.000 -0.000 -0.730) 0.730 4.039 ( 0.000 -0.000 9.100) 9.100 4.179 ( 0.000 -0.000 -6.108) 6.108 4.542 ( 0.000 -0.000 5.308) 5.308 4.562 ( 0.000 -0.000 8.398) 8.398 4.622 ( 0.000 -0.000 -2.563) 2.563 4.627 ( 0.000 -0.000 5.089) 5.089 4.657 ( -0.000 -0.000 -6.797) 6.797 4.774 ( 0.000 -0.000 -6.386) 6.386 5.110 ( 0.000 -0.000 -0.245) 0.245 5.118 ( 0.000 -0.000 -1.354) 1.354 5.574 ( 0.000 -0.000 3.579) 3.579 5.628 ( 0.000 -0.000 -2.412) 2.412 ======================= Grid point 316 (94/129) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 12.224 -0.000 6.056) 13.642 0.810 ( 7.010 -0.000 6.612) 9.636 0.836 ( 10.022 -0.000 -5.123) 11.256 0.953 ( 4.367 -0.000 -7.751) 8.896 1.190 ( 6.476 -0.000 2.098) 6.808 1.226 ( 3.616 -0.000 -1.385) 3.873 1.379 ( 3.792 -0.000 8.749) 9.535 1.450 ( 0.899 -0.000 -0.860) 1.244 1.518 ( 1.114 -0.000 -0.484) 1.214 1.519 ( 1.681 -0.000 -0.313) 1.709 1.532 ( 4.700 -0.000 -0.147) 4.702 1.537 ( 4.250 -0.000 -0.690) 4.306 1.777 ( 13.110 -0.000 4.789) 13.957 1.863 ( 17.716 -0.000 -3.420) 18.043 1.872 ( 1.957 -0.000 0.626) 2.054 1.890 ( -3.415 0.000 -1.542) 3.747 2.304 ( 0.050 -0.000 12.672) 12.672 2.581 ( 0.189 -0.000 -16.562) 16.563 3.499 ( 1.922 -0.000 1.952) 2.740 3.528 ( 3.814 -0.000 -1.491) 4.095 3.558 ( 5.997 -0.000 0.647) 6.031 3.579 ( 8.308 -0.000 -1.230) 8.399 3.780 ( -3.520 0.000 1.995) 4.047 3.827 ( -3.690 0.000 -3.366) 4.995 4.109 ( -1.270 0.000 0.427) 1.340 4.118 ( 0.106 -0.000 -0.434) 0.447 4.351 ( 2.503 -0.000 3.056) 3.951 4.396 ( 0.920 -0.000 -2.196) 2.381 4.555 ( 0.790 -0.000 5.222) 5.281 4.636 ( -0.495 0.000 -3.758) 3.791 4.941 ( -1.454 0.000 4.110) 4.360 5.009 ( -2.302 0.000 -3.511) 4.198 5.201 ( -2.088 0.000 1.616) 2.641 5.258 ( -2.936 0.000 -4.318) 5.221 5.694 ( -1.543 0.000 1.557) 2.192 5.700 ( -2.717 0.000 0.977) 2.887 ======================= Grid point 317 (95/129) ======================= q-point: ( 0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 4.291 0.115 3.251) 5.385 0.931 ( 7.882 1.026 2.585) 8.358 1.021 ( 8.491 1.109 -2.221) 8.846 1.030 ( 4.316 0.438 -3.595) 5.634 1.279 ( 2.022 0.035 0.684) 2.134 1.291 ( 4.164 -0.081 -0.442) 4.188 1.444 ( 2.819 0.225 3.070) 4.174 1.474 ( 1.387 -0.027 -0.851) 1.627 1.543 ( 1.351 1.364 0.742) 2.058 1.550 ( 1.595 0.651 -0.068) 1.724 1.636 ( 5.634 -0.233 0.014) 5.638 1.643 ( 6.161 -0.428 -0.749) 6.221 1.783 ( -2.876 -1.075 2.321) 3.848 1.814 ( -4.289 -1.392 -1.082) 4.637 2.174 ( 17.485 -0.368 4.891) 18.159 2.234 ( 18.807 0.030 -2.127) 18.927 2.314 ( 1.468 -0.145 12.297) 12.385 2.590 ( 0.488 -0.274 -15.944) 15.954 3.493 ( -3.015 -0.037 4.394) 5.329 3.567 ( -1.248 -0.015 -3.675) 3.882 3.649 ( 3.392 -0.043 1.934) 3.905 3.699 ( 2.280 0.029 -3.222) 3.947 3.735 ( 1.735 -0.094 2.149) 2.763 3.789 ( 0.509 -0.039 -3.869) 3.903 4.068 ( -1.884 0.035 3.168) 3.686 4.111 ( -0.231 0.075 -1.543) 1.562 4.410 ( 3.084 0.024 3.887) 4.962 4.438 ( 2.744 0.121 -0.022) 2.747 4.580 ( 1.641 -0.223 3.292) 3.685 4.634 ( 0.194 -0.125 -2.716) 2.726 4.906 ( -2.075 0.450 2.362) 3.176 4.945 ( -3.964 0.919 -2.365) 4.706 5.167 ( -1.436 0.234 -0.011) 1.455 5.200 ( -2.934 -0.278 -3.216) 4.363 5.653 ( -2.022 0.295 2.114) 2.940 5.670 ( -0.839 0.270 0.130) 0.891 ======================= Grid point 318 (96/129) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.437 0.405 1.422) 1.541 0.992 ( 0.231 0.894 -1.956) 2.163 1.128 ( 4.106 2.114 1.072) 4.741 1.137 ( 3.808 1.556 0.191) 4.118 1.306 ( 1.751 2.599 2.549) 4.040 1.363 ( 3.697 2.451 -3.192) 5.465 1.496 ( 1.182 0.054 0.960) 1.524 1.498 ( 2.551 0.191 0.808) 2.683 1.555 ( 0.855 1.477 0.491) 1.776 1.565 ( 0.974 2.107 -0.300) 2.341 1.705 ( -0.504 -1.702 2.493) 3.061 1.746 ( -2.379 -2.874 -1.620) 4.067 1.765 ( 3.485 -2.864 0.170) 4.514 1.783 ( 3.225 -3.342 -1.582) 4.907 2.298 ( -0.052 -0.082 16.084) 16.084 2.519 ( 13.664 -0.244 2.487) 13.891 2.558 ( 13.123 -0.044 -1.990) 13.273 2.596 ( 0.621 0.002 -15.368) 15.381 3.405 ( -4.986 0.119 4.125) 6.472 3.485 ( -5.376 0.122 -4.682) 7.130 3.696 ( 1.611 0.077 1.547) 2.234 3.730 ( 1.781 0.175 -1.829) 2.559 3.801 ( 3.643 0.030 1.449) 3.921 3.838 ( 3.908 0.067 -2.721) 4.762 4.054 ( 0.170 -0.087 4.778) 4.782 4.120 ( 1.154 -0.061 -2.301) 2.574 4.467 ( 2.893 0.069 5.525) 6.237 4.487 ( 2.331 0.121 1.558) 2.806 4.610 ( 1.017 -0.116 0.920) 1.376 4.638 ( -0.037 -0.056 -1.988) 1.989 4.849 ( -4.986 0.969 -1.102) 5.198 4.857 ( -2.927 0.363 -0.762) 3.047 5.141 ( -1.112 0.461 -0.825) 1.459 5.153 ( -1.970 -0.389 -1.990) 2.827 5.617 ( -1.457 0.589 3.053) 3.434 5.655 ( -0.552 0.627 -1.218) 1.477 ======================= Grid point 319 (97/129) ======================= q-point: ( 0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.674 0.518 0.733) 1.123 0.975 ( -1.069 0.620 -1.756) 2.148 1.128 ( -1.569 2.257 2.268) 3.563 1.154 ( -0.880 2.287 -0.487) 2.499 1.324 ( 0.954 2.267 4.628) 5.241 1.408 ( 2.003 1.908 -4.343) 5.149 1.499 ( -0.276 0.547 2.903) 2.967 1.541 ( 1.113 0.162 0.406) 1.195 1.569 ( 1.004 1.216 -1.773) 2.373 1.576 ( 0.762 0.165 -1.409) 1.610 1.703 ( 0.327 -1.781 0.814) 1.985 1.716 ( -1.308 -3.009 -0.548) 3.327 1.847 ( 2.888 -2.484 1.032) 3.947 1.872 ( 3.353 -1.903 -1.607) 4.177 2.287 ( -0.757 0.066 16.144) 16.162 2.579 ( -0.894 0.410 -14.833) 14.865 2.724 ( 6.786 -0.391 2.079) 7.108 2.761 ( 6.477 -0.072 -1.767) 6.715 3.324 ( -2.902 0.183 3.328) 4.419 3.397 ( -3.146 0.136 -4.729) 5.681 3.714 ( 0.393 0.128 1.522) 1.577 3.752 ( 0.565 0.242 -2.565) 2.638 3.886 ( 4.996 0.269 2.632) 5.653 3.920 ( 3.883 0.243 -1.682) 4.239 4.054 ( -0.731 -0.242 6.096) 6.144 4.152 ( 1.904 -0.196 -4.197) 4.613 4.525 ( 2.672 0.099 6.507) 7.034 4.527 ( 1.929 0.053 4.472) 4.870 4.616 ( -0.191 -0.001 -0.260) 0.323 4.631 ( -0.604 0.000 -2.087) 2.173 4.741 ( -5.293 0.615 -1.092) 5.439 4.802 ( -2.364 0.221 -4.265) 4.882 5.119 ( -0.841 0.104 -0.447) 0.958 5.127 ( -0.816 0.001 -1.566) 1.765 5.589 ( -1.021 0.489 3.554) 3.730 5.641 ( -0.602 0.549 -2.107) 2.259 ======================= Grid point 320 (98/129) ======================= q-point: ( 0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -0.354 -0.031 0.554) 0.658 0.956 ( -0.478 0.111 -1.069) 1.176 1.087 ( -1.010 1.101 2.216) 2.673 1.114 ( -1.475 0.958 -0.799) 1.932 1.306 ( -2.596 -1.742 5.857) 6.639 1.406 ( -2.404 -1.739 -4.673) 5.536 1.492 ( -0.127 0.016 2.692) 2.695 1.550 ( 0.143 -0.144 0.996) 1.017 1.565 ( -0.714 0.551 -3.639) 3.749 1.585 ( -0.041 -0.338 -1.522) 1.559 1.728 ( 1.757 0.949 0.442) 2.045 1.737 ( 2.699 1.457 -0.561) 3.118 1.901 ( 1.640 -0.928 1.505) 2.412 1.921 ( 0.994 0.150 -0.768) 1.265 2.276 ( -0.246 -0.266 15.546) 15.550 2.563 ( -0.321 0.121 -14.767) 14.771 2.792 ( 0.235 -0.091 1.715) 1.734 2.823 ( 0.089 0.026 -1.429) 1.432 3.294 ( -0.164 -0.002 3.011) 3.015 3.365 ( -0.123 -0.012 -4.883) 4.885 3.716 ( -0.117 -0.004 1.474) 1.478 3.754 ( -0.213 -0.009 -2.658) 2.667 3.949 ( -0.526 -0.012 0.454) 0.695 3.959 ( -0.242 0.021 -0.750) 0.789 4.039 ( 0.477 0.007 9.098) 9.110 4.179 ( 0.213 -0.004 -6.106) 6.110 4.542 ( -0.089 0.005 5.304) 5.305 4.561 ( 0.068 -0.007 8.394) 8.395 4.622 ( -0.036 0.029 -2.550) 2.550 4.627 ( 0.245 -0.026 5.070) 5.076 4.657 ( -0.789 0.010 -6.781) 6.827 4.774 ( -0.143 -0.001 -6.387) 6.388 5.110 ( 0.017 0.001 -0.245) 0.246 5.118 ( -0.112 0.000 -1.354) 1.359 5.574 ( -0.360 0.003 3.579) 3.597 5.628 ( -0.427 0.001 -2.412) 2.449 ======================= Grid point 321 (99/129) ======================= q-point: (-0.50 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -0.123 -0.798 0.838) 1.164 0.956 ( -0.021 -0.985 -1.184) 1.540 1.085 ( 0.417 -1.319 1.794) 2.265 1.104 ( -0.064 -1.866 -0.290) 1.889 1.249 ( -4.507 -4.269 5.162) 8.073 1.342 ( -5.052 -3.729 -4.697) 7.842 1.492 ( -0.011 -0.137 1.799) 1.804 1.536 ( -2.249 -0.378 -2.036) 3.057 1.551 ( -0.267 -0.131 1.006) 1.049 1.575 ( -1.256 -0.099 -1.060) 1.647 1.757 ( 1.912 2.882 1.418) 3.738 1.783 ( 2.868 2.715 -1.469) 4.214 1.909 ( -1.014 2.976 0.311) 3.160 1.914 ( -0.467 1.695 -0.240) 1.775 2.282 ( 0.651 -0.408 15.461) 15.480 2.570 ( 0.835 -0.366 -14.835) 14.863 2.733 ( -6.444 0.366 1.596) 6.649 2.763 ( -6.410 0.142 -1.448) 6.573 3.319 ( 2.747 -0.255 3.191) 4.219 3.393 ( 2.981 -0.217 -4.984) 5.811 3.711 ( -0.489 -0.175 1.359) 1.454 3.745 ( -0.794 -0.341 -2.372) 2.525 3.879 ( -4.870 -0.363 2.438) 5.458 3.914 ( -3.949 -0.319 -1.866) 4.380 4.061 ( 0.673 0.346 6.020) 6.067 4.157 ( -1.858 0.261 -4.182) 4.584 4.522 ( -2.290 -0.118 5.004) 5.505 4.525 ( -2.655 -0.123 5.719) 6.306 4.616 ( 0.282 -0.000 -0.560) 0.627 4.631 ( 0.665 0.017 -2.062) 2.167 4.724 ( 4.500 -0.852 -0.280) 4.589 4.796 ( 1.973 -0.312 -4.589) 5.005 5.117 ( 0.549 -0.014 -0.405) 0.683 5.126 ( 1.029 -0.124 -1.394) 1.738 5.576 ( 0.427 -0.626 3.237) 3.324 5.625 ( -0.098 -0.770 -2.137) 2.274 ======================= Grid point 322 (100/129) ======================= q-point: (-0.42 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -0.382 -1.531 0.810) 1.774 0.949 ( -2.302 -2.918 0.090) 3.718 1.083 ( -3.129 -2.657 0.298) 4.115 1.084 ( -3.829 -1.572 -0.021) 4.139 1.216 ( -0.372 -5.006 2.925) 5.810 1.278 ( -2.855 -4.507 -3.574) 6.422 1.483 ( -2.854 -0.940 1.955) 3.585 1.492 ( -0.587 -0.225 0.224) 0.667 1.536 ( -2.682 -0.375 0.137) 2.711 1.540 ( -0.979 -0.432 -0.380) 1.135 1.760 ( -0.673 2.959 1.763) 3.510 1.793 ( -1.985 2.268 -1.717) 3.469 1.864 ( -0.243 4.424 -0.163) 4.434 1.869 ( -2.083 4.026 -0.723) 4.591 2.301 ( 0.953 0.203 15.575) 15.606 2.529 ( -13.503 0.631 1.947) 13.657 2.560 ( -13.169 0.090 -1.862) 13.301 2.596 ( -0.178 -0.002 -15.044) 15.045 3.400 ( 5.150 -0.257 3.940) 6.490 3.481 ( 5.445 -0.268 -4.860) 7.303 3.694 ( -1.471 -0.147 1.357) 2.007 3.724 ( -1.587 -0.349 -1.688) 2.343 3.799 ( -3.238 -0.084 1.262) 3.476 3.836 ( -3.541 -0.139 -2.775) 4.501 4.058 ( -0.383 0.213 4.620) 4.641 4.122 ( -1.435 0.125 -2.346) 2.753 4.464 ( -2.862 -0.175 5.292) 6.018 4.483 ( -2.424 -0.290 1.416) 2.823 4.614 ( -0.669 0.227 0.976) 1.205 4.640 ( 0.277 0.203 -1.767) 1.801 4.815 ( 3.816 -1.962 -0.050) 4.292 4.842 ( 2.279 -0.851 -1.533) 2.876 5.132 ( 0.896 -0.329 0.264) 0.990 5.159 ( 2.277 0.190 -2.668) 3.512 5.597 ( 1.280 -1.051 2.593) 3.077 5.633 ( 0.350 -1.308 -1.285) 1.867 ======================= Grid point 323 (101/129) ======================= q-point: (-0.33 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -8.294 -3.740 4.555) 10.175 0.923 ( -2.475 -0.848 0.560) 2.676 0.976 ( -7.623 -1.880 -1.440) 7.982 1.021 ( -2.719 0.075 -3.868) 4.729 1.250 ( 0.141 -3.390 1.135) 3.578 1.267 ( -1.367 -2.952 -0.469) 3.287 1.427 ( -3.060 -1.222 4.893) 5.899 1.480 ( -1.683 0.327 -1.113) 2.044 1.489 ( -1.796 -2.251 1.331) 3.172 1.527 ( -0.553 -0.954 -1.879) 2.178 1.671 ( -6.201 3.122 0.440) 6.956 1.684 ( -6.557 3.555 -1.101) 7.539 1.823 ( -0.679 1.828 2.111) 2.874 1.860 ( 0.482 1.817 -1.849) 2.637 2.194 ( -17.825 1.255 3.226) 18.158 2.233 ( -18.662 -0.024 -1.298) 18.707 2.323 ( 0.011 0.721 13.325) 13.345 2.605 ( 0.472 1.045 -15.821) 15.863 3.495 ( 3.368 0.073 4.285) 5.451 3.567 ( 1.631 0.011 -3.699) 4.042 3.651 ( -2.992 0.149 1.854) 3.523 3.697 ( -1.661 -0.155 -2.803) 3.261 3.741 ( -2.058 0.450 1.796) 2.769 3.792 ( -0.549 0.202 -3.783) 3.827 4.066 ( 1.707 -0.079 2.949) 3.409 4.107 ( -0.104 -0.310 -1.474) 1.510 4.409 ( -3.138 -0.120 3.480) 4.688 4.431 ( -2.988 -0.401 0.043) 3.015 4.591 ( -1.048 0.788 3.348) 3.596 4.641 ( 0.179 0.546 -2.260) 2.332 4.878 ( 1.330 -2.397 1.301) 3.035 4.895 ( 2.145 -2.960 -0.611) 3.706 5.159 ( 1.717 -0.385 1.361) 2.224 5.210 ( 3.058 0.520 -4.226) 5.242 5.638 ( 2.368 -0.889 1.776) 3.091 5.655 ( 1.359 -1.036 -0.042) 1.709 ======================= Grid point 324 (102/129) ======================= q-point: (-0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -9.618 -0.854 6.887) 11.860 0.820 ( -8.179 -0.922 -6.062) 10.222 0.848 ( -5.216 2.593 5.738) 8.176 0.968 ( -3.046 0.972 -6.599) 7.333 1.209 ( -4.809 0.722 2.363) 5.407 1.241 ( -3.126 0.331 -1.037) 3.310 1.374 ( -3.351 -0.972 7.976) 8.706 1.440 ( -1.750 -0.120 0.582) 1.848 1.481 ( -0.860 -2.593 -0.208) 2.740 1.515 ( -2.133 -0.606 -1.662) 2.772 1.530 ( -5.832 0.881 0.466) 5.916 1.551 ( -3.878 1.430 -1.333) 4.343 1.758 ( -12.133 -1.246 3.205) 12.611 1.817 ( -9.857 -2.581 -2.571) 10.508 1.892 ( -8.987 0.618 0.489) 9.022 1.913 ( -3.308 0.974 -1.554) 3.782 2.327 ( 0.762 1.934 13.227) 13.389 2.605 ( 0.473 2.027 -16.168) 16.302 3.503 ( -1.897 0.337 1.842) 2.666 3.531 ( -3.830 0.274 -1.505) 4.124 3.565 ( -5.843 0.669 0.778) 5.933 3.585 ( -8.279 0.559 -1.023) 8.361 3.777 ( 3.438 -0.198 1.964) 3.965 3.825 ( 3.485 -0.168 -3.439) 4.898 4.104 ( 0.772 -0.409 0.800) 1.185 4.117 ( 0.704 -0.047 -0.499) 0.864 4.345 ( -3.066 -0.519 2.631) 4.073 4.384 ( -1.531 -0.954 -1.908) 2.626 4.572 ( -0.444 1.338 5.052) 5.245 4.647 ( 0.793 0.924 -3.096) 3.327 4.908 ( 0.409 -3.239 3.192) 4.566 4.945 ( 0.904 -4.899 -0.709) 5.032 5.202 ( 2.493 0.058 2.169) 3.305 5.267 ( 2.940 0.638 -4.982) 5.820 5.692 ( 2.486 -0.003 1.243) 2.780 5.700 ( 3.148 -0.035 0.764) 3.239 ======================= Grid point 325 (103/129) ======================= q-point: (-0.17 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -6.703 3.669 8.787) 11.645 0.676 ( -5.666 1.935 -4.046) 7.226 0.713 ( -6.217 4.601 5.703) 9.609 0.885 ( -4.080 2.607 -9.184) 10.382 1.067 ( -7.327 2.948 6.889) 10.480 1.160 ( -3.251 1.006 -3.831) 5.125 1.319 ( -1.819 -0.090 12.675) 12.805 1.382 ( -6.641 -0.829 -0.289) 6.699 1.399 ( -8.096 -1.036 1.644) 8.326 1.468 ( -0.353 -1.221 0.697) 1.450 1.499 ( -0.521 -1.291 -1.067) 1.754 1.511 ( -2.400 -0.860 -0.152) 2.554 1.543 ( -3.916 -0.741 0.268) 3.995 1.610 ( -4.829 0.053 -6.818) 8.355 1.881 ( 1.081 -2.831 2.065) 3.667 1.927 ( 1.236 -2.395 -2.701) 3.816 2.332 ( 0.896 2.520 12.187) 12.477 2.604 ( 0.610 2.412 -16.716) 16.901 3.413 ( -7.949 0.299 0.314) 7.961 3.422 ( -7.531 0.472 -0.874) 7.596 3.455 ( -2.796 0.071 -0.108) 2.799 3.456 ( -2.862 0.143 -0.274) 2.878 3.834 ( 2.063 -0.115 2.721) 3.417 3.894 ( 2.803 -0.245 -3.891) 4.802 4.095 ( -1.327 -0.122 0.715) 1.512 4.104 ( -1.715 0.342 -0.302) 1.774 4.316 ( -0.401 -1.492 3.862) 4.160 4.391 ( 0.948 -1.617 -4.296) 4.687 4.554 ( -0.693 1.176 6.750) 6.886 4.660 ( 0.974 1.001 -4.224) 4.449 4.934 ( 0.274 -4.132 4.568) 6.166 4.988 ( 0.728 -5.546 -1.105) 5.701 5.247 ( 2.037 0.325 2.413) 3.174 5.312 ( 1.820 0.590 -4.822) 5.187 5.734 ( 1.846 0.935 2.217) 3.032 5.762 ( 2.977 0.852 -0.619) 3.158 ======================= Grid point 326 (104/129) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -0.000 6.297 10.405) 12.162 0.601 ( -0.000 3.449 13.666) 14.094 0.615 ( -0.000 2.672 -10.249) 10.591 0.822 ( -0.000 2.132 -10.594) 10.807 0.971 ( -0.000 2.194 11.441) 11.649 1.126 ( -0.000 0.747 -7.125) 7.164 1.291 ( 0.000 -0.330 0.741) 0.811 1.303 ( 0.000 -0.529 -0.567) 0.775 1.306 ( -0.000 0.226 15.406) 15.407 1.469 ( 0.000 -0.741 0.592) 0.949 1.479 ( 0.000 -0.866 -0.491) 0.996 1.511 ( 0.000 -0.788 -0.726) 1.072 1.534 ( 0.000 -2.907 -2.130) 3.604 1.587 ( -0.000 1.736 -5.589) 5.852 1.912 ( 0.000 -2.795 2.022) 3.450 1.956 ( 0.000 -2.545 -2.612) 3.647 2.330 ( -0.000 2.188 11.373) 11.582 2.600 ( -0.000 1.973 -17.158) 17.271 3.324 ( -0.000 0.132 0.293) 0.321 3.327 ( -0.000 0.133 -0.099) 0.166 3.421 ( 0.000 -0.009 0.364) 0.364 3.430 ( -0.000 0.032 -0.631) 0.632 3.855 ( 0.000 -0.012 3.009) 3.009 3.923 ( 0.000 -0.120 -4.578) 4.580 4.078 ( -0.000 0.126 0.084) 0.151 4.080 ( -0.000 0.124 -0.185) 0.222 4.325 ( 0.000 -1.418 4.551) 4.767 4.412 ( 0.000 -1.447 -5.074) 5.276 4.540 ( -0.000 0.849 8.130) 8.174 4.667 ( -0.000 0.712 -5.168) 5.217 4.959 ( 0.000 -3.563 4.969) 6.115 5.025 ( 0.000 -4.953 -2.093) 5.377 5.268 ( -0.000 0.162 2.239) 2.244 5.327 ( -0.000 0.464 -4.544) 4.568 5.748 ( -0.000 0.952 2.833) 2.989 5.790 ( -0.000 0.980 -1.779) 2.032 ======================= Grid point 329 (105/129) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 0.523 -0.000 1.477) 1.567 0.996 ( 0.047 -0.000 -2.205) 2.205 1.142 ( 2.984 -0.000 0.690) 3.063 1.143 ( 4.653 -0.000 0.731) 4.710 1.320 ( 2.269 -0.000 2.488) 3.367 1.376 ( 4.076 -0.000 -3.078) 5.108 1.496 ( 0.960 -0.000 0.877) 1.300 1.499 ( 2.923 -0.000 0.624) 2.989 1.566 ( 0.591 -0.000 0.750) 0.955 1.580 ( 0.994 -0.000 -0.440) 1.087 1.697 ( -1.405 0.000 2.452) 2.826 1.720 ( -3.951 0.000 0.078) 3.951 1.757 ( 3.034 -0.000 -1.265) 3.287 1.761 ( 5.519 -0.000 -1.680) 5.769 2.297 ( 0.071 -0.000 16.155) 16.156 2.518 ( 13.700 -0.000 2.566) 13.939 2.558 ( 13.105 -0.000 -2.020) 13.260 2.596 ( 0.675 -0.000 -15.405) 15.420 3.405 ( -4.958 0.000 4.153) 6.468 3.486 ( -5.366 0.000 -4.655) 7.104 3.697 ( 1.633 -0.000 1.575) 2.268 3.731 ( 1.812 -0.000 -1.851) 2.591 3.801 ( 3.703 -0.000 1.479) 3.987 3.839 ( 3.964 -0.000 -2.714) 4.804 4.054 ( 0.136 -0.000 4.800) 4.802 4.119 ( 1.111 -0.000 -2.291) 2.546 4.467 ( 2.901 -0.000 5.554) 6.266 4.488 ( 2.313 -0.000 1.579) 2.800 4.609 ( 1.071 -0.000 0.919) 1.412 4.638 ( -0.006 0.000 -2.023) 2.023 4.854 ( -5.331 0.000 -1.358) 5.502 4.858 ( -2.848 0.000 -0.538) 2.898 5.144 ( -1.027 0.000 -1.305) 1.660 5.149 ( -2.041 0.000 -1.575) 2.578 5.620 ( -1.494 0.000 3.106) 3.447 5.659 ( -0.582 0.000 -1.197) 1.331 ======================= Grid point 330 (106/129) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -0.828 0.187 0.708) 1.105 0.979 ( -1.266 0.212 -1.846) 2.248 1.147 ( -1.565 1.001 2.276) 2.938 1.172 ( -0.934 0.929 -0.416) 1.382 1.340 ( -0.831 0.699 4.317) 4.452 1.421 ( 0.239 0.507 -4.375) 4.411 1.504 ( -0.497 0.330 3.324) 3.377 1.543 ( 1.041 0.095 0.492) 1.155 1.571 ( 0.557 -0.109 -0.527) 0.775 1.585 ( -0.169 0.888 -2.612) 2.764 1.690 ( 1.734 -0.703 0.136) 1.876 1.692 ( 1.158 -1.187 0.005) 1.659 1.827 ( 3.243 -0.996 1.105) 3.568 1.857 ( 4.006 -0.822 -1.889) 4.505 2.287 ( -0.842 0.008 16.402) 16.424 2.582 ( -0.909 0.166 -15.035) 15.064 2.721 ( 6.877 -0.157 2.377) 7.278 2.760 ( 6.498 -0.024 -1.862) 6.760 3.325 ( -2.942 0.067 3.362) 4.468 3.398 ( -3.190 0.048 -4.654) 5.642 3.715 ( 0.365 0.047 1.562) 1.605 3.754 ( 0.500 0.088 -2.615) 2.664 3.888 ( 5.041 0.099 2.685) 5.712 3.922 ( 3.870 0.090 -1.635) 4.202 4.052 ( -0.757 -0.088 6.111) 6.158 4.151 ( 1.914 -0.072 -4.197) 4.613 4.525 ( 2.880 0.045 7.106) 7.667 4.527 ( 1.643 0.009 3.934) 4.263 4.616 ( -0.164 0.000 -0.183) 0.246 4.631 ( -0.597 0.001 -2.090) 2.173 4.745 ( -5.499 0.224 -1.300) 5.655 4.803 ( -2.465 0.080 -4.178) 4.852 5.120 ( -0.979 0.050 -0.490) 1.096 5.127 ( -0.700 -0.011 -1.575) 1.724 5.593 ( -1.191 0.182 3.625) 3.820 5.645 ( -0.783 0.200 -2.091) 2.242 ======================= Grid point 331 (107/129) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -0.644 -0.012 0.520) 0.828 0.957 ( -0.773 0.077 -1.230) 1.455 1.101 ( -1.739 1.381 2.235) 3.150 1.126 ( -2.534 1.024 -0.522) 2.782 1.285 ( -4.382 -1.887 5.731) 7.457 1.385 ( -3.809 -1.809 -4.917) 6.477 1.492 ( -0.261 0.038 2.848) 2.860 1.550 ( 0.048 -0.025 0.294) 0.298 1.570 ( -1.015 0.389 -3.102) 3.287 1.582 ( 0.095 -0.324 -1.056) 1.109 1.741 ( 3.309 1.258 0.453) 3.569 1.752 ( 3.547 1.150 -0.767) 3.807 1.891 ( 2.641 -0.851 1.930) 3.380 1.921 ( 2.148 -0.036 -1.448) 2.591 2.273 ( -0.462 -0.267 15.903) 15.912 2.564 ( -0.552 0.120 -15.057) 15.068 2.791 ( 0.409 -0.090 1.920) 1.965 2.823 ( 0.154 0.025 -1.453) 1.461 3.294 ( -0.285 -0.002 3.010) 3.023 3.365 ( -0.213 -0.012 -4.871) 4.876 3.715 ( -0.203 -0.004 1.469) 1.483 3.754 ( -0.369 -0.009 -2.654) 2.680 3.949 ( -0.898 -0.011 0.483) 1.020 3.959 ( -0.434 0.020 -0.789) 0.901 4.039 ( 0.826 0.007 9.092) 9.130 4.179 ( 0.369 -0.004 -6.101) 6.112 4.543 ( -0.155 0.005 5.296) 5.298 4.561 ( 0.116 -0.007 8.388) 8.388 4.622 ( -0.040 0.030 -2.531) 2.531 4.626 ( 0.399 -0.026 5.042) 5.057 4.658 ( -1.360 0.009 -6.752) 6.887 4.774 ( -0.247 -0.001 -6.388) 6.392 5.110 ( 0.030 0.001 -0.246) 0.248 5.118 ( -0.193 0.000 -1.355) 1.369 5.574 ( -0.624 0.003 3.578) 3.632 5.628 ( -0.739 0.001 -2.410) 2.521 ======================= Grid point 332 (108/129) ======================= q-point: (-0.58 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.624 -0.628 0.896) 1.259 0.947 ( -0.734 -0.702 -0.931) 1.378 1.076 ( -0.898 -0.349 1.468) 1.756 1.089 ( -0.599 -0.871 -0.023) 1.057 1.207 ( -4.838 -3.596 5.375) 8.077 1.306 ( -5.229 -2.982 -5.087) 7.881 1.491 ( -0.010 -0.048 1.471) 1.472 1.532 ( -2.451 -0.297 -2.638) 3.613 1.551 ( -0.422 0.131 1.782) 1.836 1.574 ( -1.191 -0.118 -0.698) 1.385 1.785 ( 1.980 2.377 0.946) 3.235 1.806 ( 2.418 1.422 -1.257) 3.074 1.928 ( 0.757 1.045 0.550) 1.402 1.938 ( 0.248 2.271 -0.420) 2.323 2.277 ( 0.741 -0.461 15.393) 15.418 2.567 ( 0.781 -0.206 -15.180) 15.202 2.736 ( -6.264 0.219 1.638) 6.478 2.765 ( -6.385 0.119 -1.324) 6.522 3.317 ( 2.673 -0.189 3.123) 4.115 3.391 ( 2.904 -0.169 -5.088) 5.861 3.709 ( -0.529 -0.128 1.277) 1.388 3.742 ( -0.893 -0.253 -2.281) 2.463 3.875 ( -4.833 -0.265 2.351) 5.381 3.911 ( -3.987 -0.229 -1.956) 4.446 4.064 ( 0.662 0.258 5.973) 6.015 4.160 ( -1.833 0.189 -4.169) 4.558 4.521 ( -2.049 -0.099 4.029) 4.522 4.523 ( -3.088 -0.090 6.560) 7.251 4.616 ( 0.310 -0.006 -0.710) 0.774 4.631 ( 0.727 0.024 -2.035) 2.161 4.716 ( 4.117 -0.627 0.116) 4.166 4.793 ( 1.783 -0.233 -4.740) 5.070 5.118 ( 0.428 0.058 -0.484) 0.649 5.125 ( 1.115 -0.157 -1.205) 1.649 5.571 ( 0.178 -0.442 3.057) 3.094 5.618 ( -0.440 -0.572 -2.133) 2.252 ======================= Grid point 333 (109/129) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -3.388 -2.601 0.953) 4.376 0.922 ( -0.869 -1.888 0.381) 2.113 1.058 ( -2.704 -2.023 0.996) 3.520 1.072 ( -2.804 -0.891 -0.866) 3.066 1.167 ( -0.306 -4.039 3.227) 5.179 1.236 ( -2.867 -3.403 -3.814) 5.861 1.474 ( -3.282 -0.699 2.255) 4.043 1.491 ( -0.351 -0.100 -0.324) 0.488 1.533 ( -2.772 -0.211 0.116) 2.782 1.536 ( -1.333 -0.301 -0.297) 1.398 1.789 ( -0.579 2.512 1.271) 2.874 1.815 ( -1.286 1.755 -1.403) 2.589 1.904 ( -1.513 2.984 -0.202) 3.352 1.907 ( -1.975 3.096 -0.529) 3.710 2.303 ( 1.562 0.192 15.238) 15.319 2.536 ( -13.516 0.634 1.629) 13.628 2.561 ( -13.106 0.070 -1.891) 13.242 2.596 ( 0.176 -0.003 -14.762) 14.763 3.398 ( 5.234 -0.232 3.828) 6.489 3.478 ( 5.488 -0.244 -4.966) 7.405 3.692 ( -1.393 -0.125 1.241) 1.869 3.720 ( -1.481 -0.302 -1.609) 2.208 3.798 ( -2.990 -0.085 1.160) 3.208 3.834 ( -3.328 -0.122 -2.814) 4.360 4.060 ( -0.501 0.206 4.515) 4.547 4.123 ( -1.601 0.109 -2.357) 2.851 4.462 ( -2.862 -0.173 5.120) 5.868 4.480 ( -2.459 -0.274 1.326) 2.807 4.616 ( -0.463 0.190 1.071) 1.183 4.643 ( 0.454 0.243 -1.666) 1.743 4.795 ( 3.043 -1.772 0.621) 3.575 4.834 ( 1.906 -0.757 -1.986) 2.854 5.129 ( 0.788 -0.206 0.622) 1.025 5.160 ( 2.436 0.087 -2.782) 3.699 5.587 ( 1.233 -0.826 2.218) 2.669 5.619 ( 0.216 -1.180 -1.251) 1.733 ======================= Grid point 334 (110/129) ======================= q-point: (-0.42 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -6.949 -2.722 4.511) 8.720 0.904 ( -2.889 -2.515 -2.480) 4.563 0.969 ( -5.523 0.393 1.201) 5.666 1.023 ( -2.277 0.102 -3.378) 4.075 1.207 ( 0.852 -4.511 1.496) 4.828 1.229 ( -0.603 -3.913 -0.816) 4.042 1.413 ( -3.232 -1.234 6.240) 7.135 1.472 ( -2.711 -1.053 1.763) 3.401 1.483 ( -1.095 0.317 -2.091) 2.382 1.518 ( -0.642 -0.804 -2.600) 2.797 1.708 ( -6.000 3.776 0.757) 7.130 1.727 ( -6.101 4.286 -1.337) 7.575 1.838 ( -2.625 0.874 1.799) 3.301 1.873 ( -1.608 0.551 -1.969) 2.601 2.206 ( -18.203 1.041 2.080) 18.351 2.233 ( -18.665 0.015 -0.870) 18.685 2.332 ( 1.078 0.924 14.047) 14.119 2.616 ( 1.115 1.061 -15.695) 15.770 3.495 ( 3.589 0.027 4.195) 5.520 3.567 ( 1.888 -0.018 -3.749) 4.198 3.653 ( -2.719 0.138 1.783) 3.255 3.695 ( -1.388 -0.174 -2.536) 2.896 3.746 ( -2.067 0.509 1.569) 2.644 3.794 ( -0.515 0.245 -3.702) 3.746 4.066 ( 1.618 -0.026 2.736) 3.179 4.103 ( -0.386 -0.346 -1.379) 1.473 4.407 ( -3.165 -0.151 3.197) 4.501 4.427 ( -3.102 -0.364 0.055) 3.124 4.600 ( -0.672 0.768 3.431) 3.579 4.648 ( 0.440 0.660 -2.015) 2.166 4.844 ( 0.476 -3.707 1.662) 4.091 4.870 ( 1.143 -1.884 -0.264) 2.219 5.155 ( 1.855 -0.281 1.910) 2.678 5.215 ( 3.159 0.390 -4.620) 5.610 5.629 ( 2.668 -0.733 1.425) 3.112 5.644 ( 1.760 -1.070 -0.060) 2.061 ======================= Grid point 335 (111/129) ======================= q-point: (-0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -6.870 0.866 6.356) 9.399 0.812 ( -6.367 -0.441 -6.249) 8.932 0.876 ( -3.828 2.644 5.335) 7.079 0.979 ( -2.148 1.072 -5.383) 5.893 1.206 ( -2.865 -1.528 2.188) 3.915 1.233 ( -1.649 -1.963 -0.944) 2.732 1.360 ( -3.073 -1.428 8.455) 9.109 1.438 ( -1.370 -0.881 3.776) 4.112 1.462 ( -1.360 -0.427 -3.303) 3.598 1.510 ( -1.584 -0.521 -2.651) 3.132 1.548 ( -7.736 2.632 0.868) 8.218 1.572 ( -5.341 2.593 -1.415) 6.104 1.746 ( -11.771 -1.046 2.146) 12.011 1.790 ( -9.853 -2.531 -2.283) 10.426 1.895 ( -10.579 0.034 0.786) 10.609 1.919 ( -5.855 0.072 -1.594) 6.069 2.349 ( 1.331 2.090 13.699) 13.922 2.628 ( 1.006 2.188 -15.830) 16.013 3.507 ( -1.896 0.301 1.743) 2.593 3.534 ( -3.850 0.283 -1.559) 4.163 3.573 ( -5.696 0.733 0.905) 5.814 3.591 ( -8.215 0.620 -0.850) 8.282 3.775 ( 3.373 -0.113 1.937) 3.891 3.824 ( 3.289 -0.094 -3.503) 4.806 4.100 ( 0.475 -0.482 1.248) 1.420 4.116 ( 1.354 0.025 -0.597) 1.480 4.339 ( -3.612 -0.592 2.267) 4.306 4.374 ( -2.065 -0.979 -1.744) 2.875 4.586 ( -0.403 1.214 4.988) 5.149 4.657 ( 1.014 1.077 -2.487) 2.893 4.861 ( -0.869 -5.483 3.794) 6.724 4.900 ( 0.518 -3.485 0.191) 3.529 5.202 ( 2.739 0.053 2.481) 3.696 5.274 ( 2.947 0.550 -5.314) 6.101 5.693 ( 3.246 0.154 0.926) 3.379 5.699 ( 3.707 -0.042 0.678) 3.768 ======================= Grid point 336 (112/129) ======================= q-point: (-0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -3.247 5.910 7.255) 9.905 0.701 ( -3.915 2.682 -4.732) 6.701 0.768 ( -5.146 5.561 6.179) 9.777 0.917 ( -3.130 3.252 -8.001) 9.186 1.103 ( -6.455 3.630 5.401) 9.166 1.173 ( -3.285 1.218 -2.379) 4.235 1.315 ( -1.668 -0.750 10.969) 11.120 1.370 ( -6.331 -1.215 0.008) 6.446 1.387 ( -8.129 -1.121 2.988) 8.733 1.452 ( -0.108 -1.734 2.452) 3.005 1.485 ( -1.256 -1.165 -2.527) 3.053 1.503 ( -3.514 -0.649 0.309) 3.586 1.535 ( -5.080 -0.675 -0.170) 5.128 1.608 ( -3.325 -0.377 -7.525) 8.236 1.846 ( -0.186 -3.665 2.129) 4.242 1.897 ( 0.047 -3.165 -3.327) 4.592 2.361 ( 1.229 2.914 12.717) 13.105 2.633 ( 0.893 2.956 -16.134) 16.427 3.416 ( -8.051 0.356 0.421) 8.070 3.427 ( -7.840 0.527 -0.935) 7.913 3.456 ( -2.780 0.159 -0.048) 2.785 3.458 ( -3.077 0.186 -0.298) 3.097 3.833 ( 2.222 0.004 2.656) 3.463 3.892 ( 2.913 -0.179 -3.849) 4.831 4.094 ( -0.995 -0.072 1.371) 1.695 4.108 ( -1.773 0.464 -0.396) 1.875 4.297 ( -1.176 -2.161 4.064) 4.751 4.372 ( 0.628 -1.938 -4.089) 4.569 4.565 ( -1.191 0.572 7.404) 7.521 4.672 ( 1.007 1.277 -3.040) 3.447 4.878 ( -0.426 -5.940 5.191) 7.901 4.932 ( 0.561 -4.838 -0.205) 4.875 5.251 ( 2.069 0.343 2.579) 3.324 5.318 ( 1.815 0.614 -4.915) 5.275 5.746 ( 2.307 1.297 1.774) 3.187 5.772 ( 3.438 1.032 -0.708) 3.659 ======================= Grid point 337 (113/129) ======================= q-point: (-0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -0.000 9.271 7.201) 11.739 0.651 ( -0.000 5.906 12.312) 13.655 0.653 ( -0.000 4.334 -8.311) 9.373 0.854 ( -0.000 3.862 -9.828) 10.560 1.004 ( -0.000 4.082 10.073) 10.869 1.137 ( -0.000 1.167 -5.837) 5.952 1.285 ( 0.000 -0.777 0.560) 0.958 1.294 ( 0.000 -1.151 -0.415) 1.223 1.309 ( -0.000 0.324 15.056) 15.059 1.457 ( 0.000 -1.476 0.567) 1.581 1.467 ( 0.000 -1.307 -0.477) 1.391 1.495 ( 0.000 -2.386 3.726) 4.425 1.508 ( 0.000 -1.608 -4.709) 4.976 1.600 ( -0.000 0.578 -7.201) 7.224 1.872 ( 0.000 -4.584 1.937) 4.976 1.921 ( 0.000 -3.936 -3.422) 5.216 2.360 ( -0.000 3.140 11.769) 12.180 2.627 ( -0.000 3.074 -16.531) 16.815 3.326 ( -0.000 0.231 0.298) 0.377 3.329 ( -0.000 0.235 -0.099) 0.255 3.421 ( 0.000 -0.018 0.402) 0.403 3.431 ( -0.000 0.052 -0.654) 0.656 3.855 ( -0.000 0.143 3.019) 3.023 3.922 ( 0.000 -0.018 -4.473) 4.473 4.080 ( -0.000 0.220 0.072) 0.232 4.082 ( -0.000 0.211 -0.190) 0.284 4.303 ( 0.000 -2.693 5.302) 5.947 4.393 ( 0.000 -2.111 -4.762) 5.209 4.548 ( -0.000 0.338 9.153) 9.160 4.677 ( -0.000 1.161 -3.788) 3.962 4.906 ( 0.000 -5.997 5.635) 8.229 4.967 ( 0.000 -5.579 -0.708) 5.623 5.271 ( -0.000 0.331 2.488) 2.510 5.333 ( -0.000 0.624 -4.600) 4.642 5.761 ( -0.000 1.601 2.389) 2.876 5.803 ( -0.000 1.406 -1.916) 2.376 ======================= Grid point 342 (114/129) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -0.756 0.000 0.499) 0.906 0.957 ( -0.870 0.000 -1.293) 1.558 1.110 ( -1.955 0.000 2.176) 2.925 1.132 ( -2.930 0.000 -0.319) 2.947 1.274 ( -5.043 0.000 5.693) 7.605 1.374 ( -4.209 0.000 -5.035) 6.563 1.492 ( -0.324 0.000 2.894) 2.913 1.550 ( -0.007 0.000 0.098) 0.098 1.573 ( -1.104 0.000 -3.068) 3.260 1.580 ( 0.200 -0.000 -0.772) 0.797 1.749 ( 3.855 -0.000 0.327) 3.869 1.759 ( 3.595 -0.000 -0.712) 3.665 1.886 ( 3.021 -0.000 2.113) 3.687 1.921 ( 2.662 -0.000 -1.769) 3.196 2.271 ( -0.554 0.000 16.085) 16.095 2.565 ( -0.636 0.000 -15.203) 15.217 2.791 ( 0.473 -0.000 2.023) 2.077 2.823 ( 0.178 -0.000 -1.464) 1.474 3.294 ( -0.329 0.000 3.009) 3.027 3.365 ( -0.246 0.000 -4.865) 4.872 3.715 ( -0.235 0.000 1.467) 1.485 3.754 ( -0.426 0.000 -2.652) 2.686 3.948 ( -1.030 0.000 0.497) 1.144 3.959 ( -0.509 0.000 -0.808) 0.955 4.039 ( 0.955 -0.000 9.090) 9.140 4.179 ( 0.427 -0.000 -6.099) 6.114 4.543 ( -0.180 0.000 5.291) 5.294 4.561 ( 0.133 -0.000 8.385) 8.386 4.622 ( -0.031 0.000 -2.528) 2.528 4.626 ( 0.444 -0.000 5.034) 5.054 4.658 ( -1.566 0.000 -6.738) 6.917 4.774 ( -0.285 0.000 -6.388) 6.394 5.110 ( 0.035 -0.000 -0.247) 0.249 5.118 ( -0.223 0.000 -1.355) 1.374 5.574 ( -0.720 0.000 3.578) 3.649 5.628 ( -0.853 0.000 -2.410) 2.556 ======================= Grid point 343 (115/129) ======================= q-point: (-0.67 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.951 -0.235 0.915) 1.341 0.942 ( -1.196 -0.247 -0.830) 1.476 1.075 ( -2.307 -0.005 1.239) 2.618 1.085 ( -0.699 -0.097 0.183) 0.729 1.178 ( -4.610 -1.519 5.615) 7.422 1.283 ( -5.032 -1.159 -5.392) 7.466 1.490 ( 0.013 -0.011 1.304) 1.304 1.530 ( -2.521 -0.107 -2.734) 3.720 1.552 ( -0.626 0.077 1.954) 2.053 1.573 ( -1.128 -0.055 -0.459) 1.219 1.805 ( 1.785 1.316 0.199) 2.226 1.813 ( 2.116 0.014 -0.649) 2.213 1.936 ( 1.655 0.348 1.049) 1.991 1.955 ( 0.804 0.868 -1.003) 1.551 2.273 ( 0.842 -0.213 15.476) 15.500 2.565 ( 0.737 -0.062 -15.470) 15.488 2.738 ( -6.151 0.071 1.727) 6.389 2.766 ( -6.371 0.047 -1.259) 6.495 3.315 ( 2.630 -0.070 3.082) 4.052 3.390 ( 2.859 -0.064 -5.144) 5.885 3.708 ( -0.550 -0.047 1.228) 1.346 3.740 ( -0.948 -0.093 -2.229) 2.424 3.873 ( -4.817 -0.097 2.302) 5.340 3.909 ( -4.010 -0.083 -2.008) 4.485 4.066 ( 0.660 0.096 5.943) 5.980 4.161 ( -1.816 0.069 -4.160) 4.539 4.520 ( -1.919 -0.041 3.462) 3.959 4.523 ( -3.338 -0.031 7.044) 7.795 4.616 ( 0.319 -0.005 -0.799) 0.860 4.631 ( 0.776 0.012 -2.014) 2.158 4.711 ( 3.890 -0.230 0.351) 3.912 4.791 ( 1.672 -0.086 -4.828) 5.110 5.118 ( 0.275 0.057 -0.608) 0.669 5.123 ( 1.248 -0.093 -1.014) 1.611 5.567 ( 0.045 -0.158 2.943) 2.948 5.614 ( -0.645 -0.212 -2.125) 2.230 ======================= Grid point 344 (116/129) ======================= q-point: (-0.58 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -4.039 -1.491 1.295) 4.496 0.905 ( -1.342 -1.307 0.219) 1.886 1.041 ( -1.995 -1.079 1.428) 2.680 1.065 ( -2.431 -0.477 -1.395) 2.843 1.134 ( -0.445 -2.188 3.590) 4.228 1.209 ( -2.835 -1.716 -3.992) 5.188 1.468 ( -3.575 -0.357 2.424) 4.334 1.490 ( -0.193 -0.027 -0.733) 0.759 1.532 ( -2.319 -0.109 0.042) 2.322 1.533 ( -2.082 -0.199 -0.142) 2.097 1.810 ( -0.532 1.478 0.822) 1.773 1.829 ( -0.524 0.885 -1.084) 1.494 1.927 ( -2.043 1.520 -0.067) 2.547 1.933 ( -2.550 1.628 -0.504) 3.067 2.305 ( 2.047 0.117 14.969) 15.109 2.541 ( -13.648 0.412 1.435) 13.730 2.561 ( -12.961 0.030 -2.016) 13.116 2.596 ( 0.504 -0.003 -14.496) 14.505 3.396 ( 5.291 -0.138 3.744) 6.483 3.476 ( 5.522 -0.146 -5.045) 7.481 3.691 ( -1.336 -0.071 1.152) 1.765 3.717 ( -1.405 -0.174 -1.553) 2.102 3.798 ( -2.803 -0.054 1.089) 3.008 3.833 ( -3.172 -0.071 -2.846) 4.262 4.062 ( -0.583 0.128 4.430) 4.470 4.124 ( -1.725 0.063 -2.356) 2.921 4.461 ( -2.873 -0.110 4.976) 5.747 4.477 ( -2.474 -0.168 1.255) 2.779 4.618 ( -0.304 0.107 1.186) 1.229 4.645 ( 0.613 0.177 -1.622) 1.743 4.780 ( 2.411 -1.063 1.155) 2.877 4.827 ( 1.634 -0.445 -2.329) 2.880 5.127 ( 0.709 -0.095 0.832) 1.097 5.161 ( 2.551 0.027 -2.810) 3.795 5.580 ( 1.239 -0.429 1.873) 2.286 5.609 ( 0.094 -0.713 -1.172) 1.375 ======================= Grid point 345 (117/129) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -5.384 -1.241 3.920) 6.774 0.878 ( -2.738 -2.198 -2.942) 4.581 0.978 ( -4.017 1.243 1.462) 4.451 1.021 ( -1.715 -0.430 -2.461) 3.030 1.162 ( 0.864 -3.673 1.796) 4.179 1.191 ( -0.806 -3.167 -1.088) 3.444 1.402 ( -3.346 -0.840 7.128) 7.919 1.464 ( -2.954 -0.490 1.520) 3.358 1.487 ( -0.933 0.458 -2.597) 2.797 1.509 ( -0.778 -0.813 -2.938) 3.146 1.746 ( -5.306 3.361 1.184) 6.392 1.771 ( -4.981 3.851 -1.493) 6.471 1.842 ( -4.559 -0.041 1.331) 4.749 1.872 ( -3.435 -0.655 -1.921) 3.990 2.215 ( -18.458 0.591 1.339) 18.516 2.233 ( -18.764 0.014 -0.599) 18.774 2.342 ( 1.801 0.825 14.459) 14.594 2.626 ( 1.630 0.785 -15.563) 15.668 3.495 ( 3.755 -0.008 4.110) 5.567 3.567 ( 2.095 -0.029 -3.816) 4.354 3.654 ( -2.500 0.094 1.712) 3.031 3.693 ( -1.236 -0.135 -2.338) 2.648 3.751 ( -1.956 0.405 1.398) 2.438 3.797 ( -0.436 0.209 -3.622) 3.654 4.066 ( 1.594 0.030 2.494) 2.960 4.100 ( -0.685 -0.290 -1.249) 1.453 4.406 ( -3.183 -0.138 2.966) 4.353 4.424 ( -3.162 -0.241 0.041) 3.172 4.607 ( -0.384 0.555 3.523) 3.587 4.655 ( 0.713 0.639 -1.963) 2.184 4.807 ( -0.662 -3.078 3.087) 4.409 4.854 ( 0.642 -1.250 -0.873) 1.654 5.153 ( 1.944 -0.172 2.265) 2.989 5.218 ( 3.241 0.238 -4.877) 5.861 5.623 ( 2.934 -0.389 1.011) 3.128 5.633 ( 2.138 -0.858 0.043) 2.304 ======================= Grid point 346 (118/129) ======================= q-point: (-0.42 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -4.029 2.176 4.863) 6.680 0.810 ( -4.504 -0.096 -5.798) 7.343 0.904 ( -2.737 2.579 4.989) 6.247 0.991 ( -1.288 1.288 -4.126) 4.511 1.178 ( -1.257 -3.417 1.876) 4.096 1.202 ( -0.510 -3.686 -0.916) 3.833 1.347 ( -2.963 -1.011 10.068) 10.543 1.425 ( -1.136 -1.107 4.001) 4.305 1.467 ( -1.231 0.815 -4.356) 4.599 1.504 ( -1.081 -0.629 -3.664) 3.871 1.583 ( -9.114 3.708 0.976) 9.888 1.605 ( -7.519 3.515 -1.278) 8.398 1.735 ( -11.068 -0.933 1.253) 11.178 1.765 ( -9.675 -2.302 -1.743) 10.097 1.893 ( -12.063 -0.360 0.817) 12.096 1.915 ( -8.023 -0.698 -1.526) 8.197 2.369 ( 1.722 1.696 14.119) 14.324 2.649 ( 1.442 1.782 -15.536) 15.705 3.510 ( -1.898 0.198 1.659) 2.529 3.537 ( -3.865 0.223 -1.651) 4.209 3.580 ( -5.574 0.580 1.016) 5.695 3.597 ( -8.127 0.490 -0.718) 8.174 3.775 ( 3.318 0.021 1.910) 3.829 3.823 ( 3.103 0.019 -3.558) 4.721 4.095 ( 0.283 -0.423 1.769) 1.841 4.117 ( 1.955 0.098 -0.732) 2.090 4.333 ( -4.167 -0.539 1.961) 4.637 4.365 ( -2.603 -0.785 -1.631) 3.170 4.596 ( -0.781 0.658 5.015) 5.118 4.669 ( 1.221 1.149 -2.066) 2.661 4.803 ( -1.342 -5.146 5.846) 7.903 4.869 ( 0.117 -2.348 -0.548) 2.414 5.203 ( 2.908 0.012 2.724) 3.985 5.278 ( 2.956 0.383 -5.531) 6.284 5.695 ( 3.952 0.226 0.643) 4.010 5.699 ( 4.274 -0.010 0.663) 4.325 ======================= Grid point 347 (119/129) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -0.540 6.694 4.753) 8.228 0.730 ( -2.389 2.744 -4.041) 5.438 0.825 ( -3.705 5.204 6.081) 8.820 0.952 ( -1.732 3.416 -6.520) 7.561 1.135 ( -4.132 2.175 3.984) 6.138 1.182 ( -2.476 0.240 -0.919) 2.652 1.303 ( -1.830 -1.475 8.876) 9.182 1.360 ( -7.561 -0.682 -0.565) 7.613 1.378 ( -8.264 -0.301 5.759) 10.077 1.432 ( -0.226 -1.846 3.257) 3.751 1.476 ( -1.510 -0.531 -3.269) 3.640 1.499 ( -4.933 0.038 0.423) 4.951 1.530 ( -5.898 -0.034 -0.607) 5.929 1.601 ( -2.454 -0.931 -7.882) 8.308 1.807 ( -1.516 -3.551 2.131) 4.410 1.862 ( -1.076 -3.443 -3.848) 5.275 2.390 ( 1.470 2.491 13.371) 13.680 2.663 ( 1.141 2.648 -15.600) 15.864 3.420 ( -8.087 0.292 0.503) 8.108 3.432 ( -8.060 0.381 -0.974) 8.128 3.458 ( -2.832 0.214 -0.012) 2.840 3.460 ( -3.401 0.188 -0.296) 3.419 3.835 ( 2.467 0.208 2.583) 3.578 3.891 ( 3.124 0.010 -3.779) 4.903 4.094 ( -0.629 -0.015 2.314) 2.398 4.113 ( -1.853 0.546 -0.440) 1.981 4.272 ( -2.293 -2.395 4.507) 5.596 4.352 ( 0.306 -1.855 -4.066) 4.480 4.564 ( -2.128 -0.717 8.896) 9.175 4.687 ( 1.107 1.439 -1.992) 2.696 4.820 ( 0.119 -4.788 5.285) 7.132 4.888 ( 0.219 -3.533 -0.673) 3.604 5.254 ( 2.126 0.246 2.774) 3.503 5.324 ( 1.833 0.499 -4.910) 5.265 5.760 ( 2.781 1.313 1.416) 3.385 5.783 ( 3.873 0.972 -0.637) 4.043 ======================= Grid point 348 (120/129) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -0.000 9.242 4.150) 10.131 0.701 ( -0.000 4.530 -5.953) 7.481 0.720 ( -0.000 6.929 10.792) 12.825 0.901 ( -0.000 4.892 -8.847) 10.109 1.054 ( -0.000 5.135 8.194) 9.670 1.150 ( -0.000 1.244 -3.396) 3.617 1.273 ( 0.000 -1.573 0.297) 1.601 1.278 ( 0.000 -1.706 -0.259) 1.726 1.312 ( -0.000 0.404 14.410) 14.415 1.438 ( 0.000 -1.917 0.845) 2.095 1.453 ( 0.000 -1.220 -0.712) 1.412 1.467 ( 0.000 -2.718 5.117) 5.793 1.496 ( 0.000 -0.792 -4.975) 5.038 1.600 ( 0.000 -0.434 -8.215) 8.227 1.820 ( 0.000 -5.005 1.913) 5.358 1.876 ( 0.000 -4.369 -4.460) 6.243 2.393 ( -0.000 2.980 12.485) 12.836 2.661 ( -0.000 3.118 -15.846) 16.150 3.328 ( -0.000 0.271 0.305) 0.409 3.332 ( -0.000 0.278 -0.100) 0.295 3.420 ( 0.000 -0.027 0.455) 0.456 3.431 ( -0.000 0.055 -0.685) 0.687 3.858 ( -0.000 0.452 3.058) 3.091 3.924 ( -0.000 0.300 -4.332) 4.343 4.082 ( -0.000 0.258 0.053) 0.263 4.084 ( -0.000 0.238 -0.193) 0.306 4.269 ( 0.000 -3.607 7.109) 7.971 4.370 ( 0.000 -2.195 -4.671) 5.161 4.544 ( 0.000 -1.069 11.292) 11.343 4.691 ( -0.000 1.451 -2.363) 2.773 4.847 ( 0.000 -4.805 5.074) 6.988 4.913 ( 0.000 -4.610 -0.907) 4.698 5.274 ( -0.000 0.336 2.715) 2.736 5.340 ( -0.000 0.595 -4.524) 4.563 5.780 ( -0.000 1.806 2.005) 2.699 5.818 ( -0.000 1.410 -1.796) 2.284 ======================= Grid point 355 (121/129) ======================= q-point: (-0.67 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -4.161 0.000 1.346) 4.373 0.897 ( -1.614 0.000 0.231) 1.631 1.036 ( -1.739 0.000 1.542) 2.324 1.062 ( -2.306 0.000 -1.612) 2.813 1.122 ( -0.547 0.000 3.786) 3.825 1.200 ( -2.787 0.000 -4.049) 4.916 1.466 ( -3.675 0.000 2.479) 4.433 1.490 ( -0.135 0.000 -0.884) 0.895 1.531 ( -1.608 0.000 -0.054) 1.609 1.532 ( -2.905 0.000 -0.011) 2.905 1.818 ( -0.588 0.000 0.614) 0.850 1.833 ( -0.144 0.000 -0.925) 0.936 1.935 ( -2.173 0.000 -0.006) 2.173 1.941 ( -2.863 0.000 -0.496) 2.906 2.305 ( 2.233 -0.000 14.865) 15.032 2.544 ( -13.751 0.000 1.389) 13.821 2.562 ( -12.863 0.000 -2.103) 13.034 2.596 ( 0.644 -0.000 -14.385) 14.399 3.395 ( 5.311 -0.000 3.712) 6.480 3.475 ( 5.535 -0.000 -5.075) 7.510 3.691 ( -1.316 0.000 1.118) 1.727 3.717 ( -1.378 0.000 -1.533) 2.061 3.797 ( -2.734 0.000 1.064) 2.934 3.833 ( -3.115 0.000 -2.858) 4.227 4.062 ( -0.612 0.000 4.397) 4.439 4.124 ( -1.771 0.000 -2.354) 2.946 4.460 ( -2.880 0.000 4.920) 5.701 4.476 ( -2.477 0.000 1.227) 2.764 4.618 ( -0.243 0.000 1.239) 1.263 4.646 ( 0.681 -0.000 -1.617) 1.754 4.774 ( 2.162 -0.000 1.362) 2.555 4.825 ( 1.535 -0.000 -2.458) 2.897 5.127 ( 0.679 -0.000 0.901) 1.128 5.161 ( 2.594 -0.000 -2.810) 3.825 5.578 ( 1.255 -0.000 1.726) 2.134 5.605 ( 0.039 -0.000 -1.127) 1.128 ======================= Grid point 357 (122/129) ======================= q-point: (-0.58 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -4.278 -0.231 3.227) 5.363 0.861 ( -2.404 -0.895 -2.541) 3.611 0.993 ( -3.329 1.350 0.469) 3.623 1.013 ( -1.196 -1.068 -0.891) 1.834 1.135 ( 0.769 -1.346 1.774) 2.356 1.167 ( -1.426 -1.208 -1.239) 2.242 1.396 ( -3.408 -0.290 7.546) 8.285 1.461 ( -3.044 -0.157 1.376) 3.344 1.493 ( -0.696 0.612 -3.145) 3.279 1.501 ( -1.000 -0.745 -2.865) 3.124 1.774 ( -4.274 1.597 1.661) 4.855 1.802 ( -3.195 1.801 -1.363) 3.912 1.840 ( -6.677 -0.035 0.545) 6.700 1.861 ( -4.954 -1.054 -1.784) 5.370 2.219 ( -18.538 0.182 1.047) 18.568 2.233 ( -18.862 -0.001 -0.466) 18.867 2.348 ( 2.083 0.334 14.563) 14.715 2.632 ( 1.911 0.289 -15.478) 15.598 3.495 ( 3.841 -0.009 4.059) 5.588 3.567 ( 2.208 -0.014 -3.866) 4.452 3.655 ( -2.381 0.033 1.667) 2.907 3.692 ( -1.173 -0.050 -2.238) 2.528 3.754 ( -1.852 0.154 1.309) 2.273 3.798 ( -0.367 0.083 -3.572) 3.592 4.066 ( 1.624 0.026 2.317) 2.830 4.097 ( -0.901 -0.118 -1.142) 1.460 4.404 ( -3.195 -0.058 2.841) 4.276 4.422 ( -3.179 -0.082 0.020) 3.180 4.611 ( -0.237 0.202 3.582) 3.595 4.660 ( 0.957 0.304 -2.120) 2.346 4.784 ( -1.440 -1.221 4.202) 4.606 4.845 ( 0.397 -0.450 -1.313) 1.444 5.151 ( 1.983 -0.059 2.438) 3.143 5.220 ( 3.287 0.080 -5.004) 5.988 5.621 ( 3.135 -0.041 0.619) 3.196 5.627 ( 2.323 -0.401 0.261) 2.371 ======================= Grid point 358 (123/129) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -1.961 1.988 2.996) 4.095 0.809 ( -3.126 -0.102 -4.873) 5.790 0.929 ( -2.075 2.173 4.619) 5.510 1.004 ( -0.116 0.958 -2.936) 3.091 1.143 ( -0.831 -2.583 1.527) 3.114 1.162 ( -0.251 -3.485 -0.699) 3.563 1.339 ( -2.765 -0.497 11.426) 11.767 1.417 ( -1.363 -0.539 3.299) 3.610 1.476 ( -0.686 0.810 -4.369) 4.496 1.496 ( -0.793 -0.701 -4.618) 4.738 1.621 ( -9.995 3.147 0.997) 10.526 1.640 ( -9.590 2.660 -1.015) 10.004 1.726 ( -9.956 -0.826 0.501) 10.003 1.743 ( -8.695 -1.717 -1.268) 8.954 1.889 ( -13.211 -0.349 0.674) 13.232 1.906 ( -9.768 -0.804 -1.327) 9.891 2.383 ( 1.920 0.935 14.403) 14.560 2.664 ( 1.712 0.987 -15.344) 15.471 3.511 ( -1.894 0.091 1.607) 2.486 3.539 ( -3.870 0.121 -1.742) 4.245 3.585 ( -5.502 0.306 1.085) 5.616 3.601 ( -8.055 0.255 -0.647) 8.084 3.776 ( 3.281 0.070 1.887) 3.786 3.824 ( 2.970 0.058 -3.593) 4.662 4.091 ( 0.177 -0.247 2.203) 2.224 4.118 ( 2.411 0.095 -0.865) 2.563 4.328 ( -4.596 -0.344 1.786) 4.943 4.358 ( -3.031 -0.431 -1.567) 3.439 4.600 ( -1.473 0.118 5.196) 5.402 4.681 ( 1.496 1.121 -2.594) 3.198 4.758 ( -1.254 -3.249 8.051) 8.772 4.850 ( -0.095 -1.229 -1.271) 1.771 5.203 ( 3.002 -0.009 2.885) 4.163 5.282 ( 2.962 0.193 -5.659) 6.391 5.698 ( 4.462 0.171 0.491) 4.492 5.699 ( 4.671 -0.001 0.653) 4.717 ======================= Grid point 359 (124/129) ======================= q-point: (-0.42 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 1.031 5.447 1.822) 5.835 0.755 ( -1.363 1.917 -3.030) 3.836 0.875 ( -2.557 4.023 6.414) 7.991 0.989 ( -0.423 3.561 -5.242) 6.351 1.143 ( -0.954 -0.758 3.169) 3.395 1.174 ( -0.417 -1.699 -0.254) 1.768 1.290 ( -2.688 -0.737 9.557) 9.956 1.358 ( -9.750 0.250 -1.327) 9.843 1.381 ( -8.594 0.617 6.531) 10.812 1.414 ( -0.975 -1.579 2.981) 3.512 1.473 ( -1.369 -0.088 -3.454) 3.717 1.504 ( -5.972 0.793 0.411) 6.039 1.535 ( -6.276 0.882 -1.030) 6.421 1.589 ( -2.408 -1.470 -7.555) 8.065 1.774 ( -2.472 -2.566 1.821) 4.002 1.827 ( -1.874 -3.022 -4.058) 5.396 2.412 ( 1.608 1.624 13.949) 14.135 2.687 ( 1.303 1.780 -15.219) 15.378 3.422 ( -8.050 0.175 0.538) 8.070 3.435 ( -8.127 0.191 -0.981) 8.188 3.460 ( -2.890 0.178 0.005) 2.896 3.461 ( -3.782 0.138 -0.275) 3.795 3.837 ( 2.741 0.296 2.494) 3.718 3.892 ( 3.376 0.126 -3.705) 5.014 4.094 ( -0.288 0.024 3.455) 3.467 4.119 ( -1.972 0.490 -0.440) 2.079 4.249 ( -3.466 -1.952 4.928) 6.333 4.334 ( 0.042 -1.406 -4.162) 4.393 4.552 ( -2.881 -1.261 10.533) 10.993 4.703 ( 1.257 1.575 -2.160) 2.954 4.779 ( 0.925 -3.146 5.016) 5.993 4.858 ( 0.085 -1.970 -1.073) 2.245 5.256 ( 2.181 0.129 2.946) 3.668 5.329 ( 1.857 0.313 -4.891) 5.241 5.772 ( 3.157 0.971 1.185) 3.509 5.792 ( 4.203 0.701 -0.488) 4.289 ======================= Grid point 360 (125/129) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -0.000 7.189 1.608) 7.367 0.744 ( -0.000 3.537 -3.810) 5.199 0.792 ( -0.000 6.398 9.576) 11.516 0.954 ( -0.000 4.971 -7.974) 9.397 1.106 ( -0.000 4.471 6.800) 8.138 1.164 ( -0.000 1.488 -0.476) 1.562 1.251 ( 0.000 -2.532 0.343) 2.555 1.259 ( 0.000 -1.918 -0.505) 1.983 1.318 ( -0.000 0.576 13.375) 13.388 1.419 ( 0.000 -1.649 1.353) 2.133 1.439 ( 0.000 -2.460 5.482) 6.009 1.442 ( 0.000 -0.897 -1.084) 1.407 1.493 ( -0.000 0.242 -4.840) 4.846 1.591 ( 0.000 -1.327 -8.881) 8.980 1.771 ( 0.000 -4.071 1.809) 4.454 1.831 ( 0.000 -4.063 -5.118) 6.535 2.420 ( -0.000 2.202 13.275) 13.456 2.690 ( -0.000 2.400 -15.288) 15.475 3.331 ( -0.000 0.239 0.314) 0.395 3.335 ( -0.000 0.247 -0.103) 0.267 3.420 ( 0.000 -0.028 0.509) 0.510 3.432 ( -0.000 0.044 -0.716) 0.718 3.865 ( -0.000 0.688 3.085) 3.161 3.928 ( -0.000 0.559 -4.215) 4.252 4.085 ( -0.000 0.228 0.028) 0.229 4.087 ( -0.000 0.200 -0.190) 0.276 4.230 ( 0.000 -3.609 9.659) 10.311 4.348 ( 0.000 -1.860 -4.793) 5.141 4.528 ( 0.000 -1.685 13.121) 13.229 4.707 ( -0.000 1.656 -2.118) 2.688 4.806 ( 0.000 -3.110 3.466) 4.657 4.872 ( 0.000 -2.886 -0.991) 3.051 5.278 ( -0.000 0.234 2.919) 2.929 5.345 ( -0.000 0.442 -4.436) 4.458 5.798 ( -0.000 1.545 1.742) 2.328 5.831 ( -0.000 1.146 -1.520) 1.903 ======================= Grid point 369 (126/129) ======================= q-point: (-0.58 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -1.214 0.000 2.039) 2.373 0.808 ( -2.633 0.000 -4.297) 5.040 0.943 ( -1.889 0.000 4.342) 4.735 1.009 ( 0.736 -0.000 -2.067) 2.195 1.132 ( -1.372 0.000 0.759) 1.568 1.138 ( 0.015 -0.000 -0.205) 0.205 1.336 ( -2.673 0.000 11.921) 12.217 1.414 ( -1.466 0.000 2.995) 3.335 1.481 ( -0.358 0.000 -3.823) 3.840 1.491 ( -0.809 0.000 -5.523) 5.582 1.641 ( -10.670 0.000 0.943) 10.711 1.654 ( -10.658 0.000 -0.581) 10.674 1.721 ( -9.926 0.000 -0.015) 9.926 1.732 ( -6.966 0.000 -1.122) 7.056 1.887 ( -13.683 0.000 0.579) 13.695 1.902 ( -10.512 0.000 -1.195) 10.580 2.388 ( 1.977 -0.000 14.503) 14.637 2.669 ( 1.802 -0.000 -15.278) 15.384 3.512 ( -1.890 0.000 1.590) 2.470 3.539 ( -3.870 0.000 -1.781) 4.260 3.586 ( -5.478 0.000 1.107) 5.589 3.603 ( -8.028 0.000 -0.625) 8.052 3.776 ( 3.268 -0.000 1.877) 3.769 3.824 ( 2.922 -0.000 -3.605) 4.640 4.090 ( 0.142 -0.000 2.374) 2.378 4.119 ( 2.588 -0.000 -0.923) 2.748 4.326 ( -4.763 0.000 1.737) 5.069 4.356 ( -3.200 0.000 -1.548) 3.555 4.600 ( -1.842 0.000 5.337) 5.646 4.689 ( 1.790 -0.000 -4.081) 4.457 4.739 ( -1.281 0.000 10.043) 10.125 4.844 ( -0.141 0.000 -1.533) 1.539 5.203 ( 3.032 -0.000 2.942) 4.224 5.283 ( 2.964 -0.000 -5.702) 6.427 5.699 ( 4.494 -0.000 0.329) 4.506 5.699 ( 4.967 -0.000 0.765) 5.026 ======================= Grid point 371 (127/129) ======================= q-point: (-0.50 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 1.711 2.286 -0.509) 2.901 0.768 ( -0.922 0.471 -2.171) 2.406 0.906 ( -2.106 1.747 7.064) 7.576 1.022 ( 0.430 2.172 -4.965) 5.437 1.128 ( 0.581 -1.360 3.301) 3.617 1.154 ( 1.406 -1.443 -0.207) 2.025 1.287 ( -3.095 -0.067 11.291) 11.707 1.362 ( -10.891 0.332 -1.123) 10.954 1.388 ( -9.264 0.610 4.720) 10.415 1.401 ( -1.361 -0.905 3.209) 3.602 1.473 ( -1.335 0.032 -3.460) 3.709 1.513 ( -6.324 0.586 0.207) 6.355 1.547 ( -5.997 1.210 -1.288) 6.252 1.572 ( -3.224 -1.420 -6.959) 7.800 1.756 ( -2.855 -0.926 1.336) 3.285 1.803 ( -2.220 -1.309 -4.042) 4.794 2.424 ( 1.667 0.559 14.285) 14.393 2.700 ( 1.377 0.622 -15.026) 15.102 3.424 ( -8.006 0.057 0.544) 8.024 3.437 ( -8.128 0.054 -0.978) 8.187 3.461 ( -2.888 0.067 0.015) 2.889 3.462 ( -4.063 0.050 -0.256) 4.071 3.840 ( 2.932 0.142 2.415) 3.801 3.893 ( 3.550 0.070 -3.656) 5.096 4.094 ( -0.063 0.018 4.350) 4.350 4.123 ( -2.080 0.207 -0.422) 2.132 4.234 ( -4.224 -0.763 5.079) 6.650 4.324 ( -0.110 -0.540 -4.258) 4.293 4.542 ( -3.122 -0.570 11.380) 11.814 4.719 ( 1.374 1.271 -5.330) 5.649 4.752 ( 1.215 -1.729 7.586) 7.875 4.845 ( 0.161 -0.579 -1.198) 1.340 5.257 ( 2.214 0.037 3.046) 3.766 5.331 ( 1.871 0.105 -4.883) 5.230 5.779 ( 3.365 0.358 1.076) 3.550 5.797 ( 4.382 0.257 -0.379) 4.405 ======================= Grid point 372 (128/129) ======================= q-point: (-0.42 0.42 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -0.000 3.551 0.005) 3.551 0.774 ( -0.000 2.213 -2.650) 3.453 0.848 ( -0.000 4.073 8.895) 9.784 1.001 ( -0.000 3.578 -7.534) 8.341 1.140 ( -0.000 1.793 7.553) 7.763 1.183 ( -0.000 1.943 0.681) 2.059 1.224 ( 0.000 -2.265 0.670) 2.362 1.240 ( 0.000 -1.623 -0.957) 1.884 1.324 ( -0.000 0.509 12.332) 12.343 1.405 ( 0.000 -0.892 1.788) 1.998 1.418 ( 0.000 -1.531 5.629) 5.833 1.435 ( 0.000 -0.458 -1.367) 1.442 1.501 ( -0.000 1.206 -4.663) 4.817 1.573 ( 0.000 -1.934 -9.430) 9.627 1.738 ( 0.000 -2.122 1.427) 2.557 1.795 ( 0.000 -2.638 -5.175) 5.809 2.438 ( -0.000 1.148 13.866) 13.914 2.710 ( -0.000 1.278 -14.934) 14.989 3.333 ( -0.000 0.140 0.321) 0.350 3.337 ( -0.000 0.146 -0.106) 0.180 3.420 ( 0.000 -0.019 0.550) 0.550 3.432 ( -0.000 0.023 -0.740) 0.740 3.872 ( -0.000 0.555 3.047) 3.097 3.934 ( -0.000 0.459 -4.157) 4.182 4.087 ( -0.000 0.134 0.005) 0.134 4.088 ( -0.000 0.112 -0.183) 0.215 4.198 ( 0.000 -2.294 11.803) 12.024 4.332 ( 0.000 -1.103 -4.991) 5.112 4.513 ( 0.000 -1.081 13.758) 13.801 4.725 ( -0.000 1.639 -4.174) 4.485 4.778 ( 0.000 -2.331 4.154) 4.763 4.852 ( 0.000 -1.089 -0.808) 1.356 5.279 ( -0.000 0.111 3.064) 3.066 5.349 ( -0.000 0.227 -4.384) 4.390 5.811 ( -0.000 0.887 1.595) 1.825 5.841 ( -0.000 0.649 -1.270) 1.427 ======================= Grid point 384 (129/129) ======================= q-point: ( 0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.35e-04 3.35e-04 6.53e-05 6.53e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.000 0.000 -0.175) 0.175 0.787 ( -0.000 0.000 -2.724) 2.724 0.871 ( -0.000 0.000 8.714) 8.714 1.021 ( -0.000 0.000 -7.521) 7.521 1.148 ( -0.000 0.000 8.576) 8.576 1.195 ( -0.000 0.000 0.574) 0.574 1.211 ( -0.000 0.000 0.929) 0.929 1.230 ( -0.000 0.000 -1.172) 1.172 1.327 ( -0.000 0.000 11.913) 11.913 1.401 ( -0.000 0.000 1.948) 1.948 1.409 ( -0.000 0.000 5.663) 5.663 1.432 ( -0.000 0.000 -1.467) 1.467 1.511 ( -0.000 0.000 -4.094) 4.094 1.559 ( -0.000 0.000 -10.134) 10.134 1.727 ( -0.000 0.000 1.144) 1.144 1.780 ( -0.000 0.000 -5.063) 5.063 2.444 ( -0.000 0.000 14.084) 14.084 2.717 ( -0.000 0.000 -14.814) 14.814 3.334 ( -0.000 0.000 0.324) 0.324 3.338 ( -0.000 0.000 -0.107) 0.107 3.420 ( -0.000 0.000 0.565) 0.565 3.432 ( -0.000 0.000 -0.749) 0.749 3.875 ( -0.000 0.000 3.006) 3.006 3.937 ( -0.000 0.000 -4.144) 4.144 4.087 ( -0.000 0.000 -0.005) 0.005 4.089 ( -0.000 0.000 -0.179) 0.179 4.185 ( -0.000 0.000 12.619) 12.619 4.326 ( -0.000 0.000 -5.083) 5.083 4.507 ( -0.000 0.000 13.843) 13.843 4.737 ( -0.000 0.000 -9.549) 9.549 4.762 ( 0.000 -0.000 9.091) 9.091 4.847 ( -0.000 0.000 -0.744) 0.744 5.280 ( -0.000 0.000 3.115) 3.115 5.350 ( -0.000 0.000 -4.367) 4.367 5.816 ( -0.000 0.000 1.548) 1.548 5.845 ( -0.000 0.000 -1.174) 1.174 =================== 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 3/25920 10.0 10.959 10.773 9.764 0.000 0.000 -0.000 3/25920 20.0 4.296 2.230 3.023 0.000 0.000 -0.000 3/25920 30.0 3.173 1.232 2.218 0.000 0.000 -0.000 3/25920 40.0 2.589 0.863 1.854 0.000 0.000 -0.000 3/25920 50.0 2.188 0.670 1.606 0.000 0.000 -0.000 3/25920 60.0 1.892 0.551 1.418 0.000 0.000 -0.000 3/25920 70.0 1.665 0.470 1.269 0.000 0.000 -0.000 3/25920 80.0 1.485 0.411 1.147 0.000 0.000 -0.000 3/25920 90.0 1.340 0.365 1.046 0.000 0.000 -0.000 3/25920 100.0 1.220 0.329 0.960 0.000 0.000 -0.000 3/25920 110.0 1.119 0.300 0.887 0.000 0.000 -0.000 3/25920 120.0 1.033 0.276 0.823 0.000 0.000 -0.000 3/25920 130.0 0.960 0.255 0.768 0.000 0.000 -0.000 3/25920 140.0 0.896 0.237 0.720 0.000 0.000 -0.000 3/25920 150.0 0.840 0.222 0.677 0.000 0.000 -0.000 3/25920 160.0 0.790 0.208 0.639 0.000 0.000 -0.000 3/25920 170.0 0.746 0.196 0.605 0.000 0.000 -0.000 3/25920 180.0 0.707 0.185 0.574 0.000 0.000 -0.000 3/25920 190.0 0.671 0.176 0.546 0.000 0.000 -0.000 3/25920 200.0 0.639 0.167 0.521 0.000 0.000 -0.000 3/25920 210.0 0.610 0.159 0.498 0.000 0.000 -0.000 3/25920 220.0 0.583 0.152 0.477 0.000 0.000 -0.000 3/25920 230.0 0.559 0.146 0.457 0.000 0.000 -0.000 3/25920 240.0 0.536 0.140 0.439 0.000 0.000 -0.000 3/25920 250.0 0.515 0.134 0.423 0.000 0.000 -0.000 3/25920 260.0 0.496 0.129 0.407 0.000 0.000 -0.000 3/25920 270.0 0.478 0.124 0.393 0.000 0.000 -0.000 3/25920 280.0 0.462 0.120 0.379 0.000 0.000 -0.000 3/25920 290.0 0.446 0.116 0.367 0.000 0.000 -0.000 3/25920 300.0 0.432 0.112 0.355 0.000 0.000 -0.000 3/25920 310.0 0.418 0.109 0.344 0.000 0.000 -0.000 3/25920 320.0 0.405 0.105 0.334 0.000 0.000 -0.000 3/25920 330.0 0.393 0.102 0.324 0.000 0.000 -0.000 3/25920 340.0 0.382 0.099 0.315 0.000 0.000 -0.000 3/25920 350.0 0.371 0.096 0.306 0.000 0.000 -0.000 3/25920 360.0 0.361 0.094 0.298 0.000 0.000 -0.000 3/25920 370.0 0.352 0.091 0.290 0.000 0.000 -0.000 3/25920 380.0 0.342 0.089 0.283 0.000 0.000 -0.000 3/25920 390.0 0.334 0.087 0.276 0.000 0.000 -0.000 3/25920 400.0 0.326 0.084 0.269 0.000 0.000 -0.000 3/25920 410.0 0.318 0.082 0.263 0.000 0.000 -0.000 3/25920 420.0 0.310 0.080 0.257 0.000 0.000 -0.000 3/25920 430.0 0.303 0.079 0.251 0.000 0.000 -0.000 3/25920 440.0 0.297 0.077 0.245 0.000 0.000 -0.000 3/25920 450.0 0.290 0.075 0.240 0.000 0.000 -0.000 3/25920 460.0 0.284 0.074 0.235 0.000 0.000 -0.000 3/25920 470.0 0.278 0.072 0.230 0.000 0.000 -0.000 3/25920 480.0 0.272 0.070 0.225 0.000 0.000 -0.000 3/25920 490.0 0.267 0.069 0.221 0.000 0.000 -0.000 3/25920 500.0 0.261 0.068 0.216 0.000 0.000 -0.000 3/25920 510.0 0.256 0.066 0.212 0.000 0.000 -0.000 3/25920 520.0 0.251 0.065 0.208 0.000 0.000 -0.000 3/25920 530.0 0.247 0.064 0.204 0.000 0.000 -0.000 3/25920 540.0 0.242 0.063 0.201 0.000 0.000 -0.000 3/25920 550.0 0.238 0.062 0.197 0.000 0.000 -0.000 3/25920 560.0 0.234 0.060 0.194 0.000 0.000 -0.000 3/25920 570.0 0.230 0.059 0.190 0.000 0.000 -0.000 3/25920 580.0 0.226 0.058 0.187 0.000 0.000 -0.000 3/25920 590.0 0.222 0.057 0.184 0.000 0.000 -0.000 3/25920 600.0 0.218 0.056 0.181 0.000 0.000 -0.000 3/25920 610.0 0.215 0.056 0.178 0.000 0.000 -0.000 3/25920 620.0 0.211 0.055 0.175 0.000 0.000 -0.000 3/25920 630.0 0.208 0.054 0.173 0.000 0.000 -0.000 3/25920 640.0 0.205 0.053 0.170 0.000 0.000 -0.000 3/25920 650.0 0.202 0.052 0.167 0.000 0.000 -0.000 3/25920 660.0 0.199 0.051 0.165 0.000 0.000 -0.000 3/25920 670.0 0.196 0.051 0.162 0.000 0.000 -0.000 3/25920 680.0 0.193 0.050 0.160 0.000 0.000 -0.000 3/25920 690.0 0.190 0.049 0.158 0.000 0.000 -0.000 3/25920 700.0 0.187 0.048 0.156 0.000 0.000 -0.000 3/25920 710.0 0.185 0.048 0.153 0.000 0.000 -0.000 3/25920 720.0 0.182 0.047 0.151 0.000 0.000 -0.000 3/25920 730.0 0.180 0.046 0.149 0.000 0.000 -0.000 3/25920 740.0 0.177 0.046 0.147 0.000 0.000 -0.000 3/25920 750.0 0.175 0.045 0.145 0.000 0.000 -0.000 3/25920 760.0 0.173 0.045 0.143 0.000 0.000 -0.000 3/25920 770.0 0.170 0.044 0.142 0.000 0.000 -0.000 3/25920 780.0 0.168 0.043 0.140 0.000 0.000 -0.000 3/25920 790.0 0.166 0.043 0.138 0.000 0.000 -0.000 3/25920 800.0 0.164 0.042 0.136 0.000 0.000 -0.000 3/25920 810.0 0.162 0.042 0.135 0.000 0.000 -0.000 3/25920 820.0 0.160 0.041 0.133 0.000 0.000 -0.000 3/25920 830.0 0.158 0.041 0.131 0.000 0.000 -0.000 3/25920 840.0 0.156 0.040 0.130 0.000 0.000 -0.000 3/25920 850.0 0.155 0.040 0.128 0.000 0.000 -0.000 3/25920 860.0 0.153 0.039 0.127 0.000 0.000 -0.000 3/25920 870.0 0.151 0.039 0.125 0.000 0.000 -0.000 3/25920 880.0 0.149 0.039 0.124 0.000 0.000 -0.000 3/25920 890.0 0.148 0.038 0.123 0.000 0.000 -0.000 3/25920 900.0 0.146 0.038 0.121 0.000 0.000 -0.000 3/25920 910.0 0.144 0.037 0.120 0.000 0.000 -0.000 3/25920 920.0 0.143 0.037 0.119 0.000 0.000 -0.000 3/25920 930.0 0.141 0.036 0.117 0.000 0.000 -0.000 3/25920 940.0 0.140 0.036 0.116 0.000 0.000 -0.000 3/25920 950.0 0.138 0.036 0.115 0.000 0.000 -0.000 3/25920 960.0 0.137 0.035 0.114 0.000 0.000 -0.000 3/25920 970.0 0.136 0.035 0.113 0.000 0.000 -0.000 3/25920 980.0 0.134 0.035 0.112 0.000 0.000 -0.000 3/25920 990.0 0.133 0.034 0.110 0.000 0.000 -0.000 3/25920 1000.0 0.132 0.034 0.109 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m12125.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:20:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|