----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:18:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.473801417838689 0.000000000000000 0.000000000000000 b -2.736900708919344 4.740451083119583 0.000000000000000 c 0.000000000000000 0.000000000000000 10.695796469999999 Atomic positions (fractional): *1 Ge 0.00000000000000 0.00000000000000 0.00057133127704 72.640 2 Ge 0.00000000000000 0.00000000000000 0.50057133127704 72.640 *3 Li 0.33333333333333 0.66666666666667 0.58992387236031 6.941 4 Li 0.66666666666667 0.33333333333333 0.08992387236031 6.941 5 Li 0.33333333333333 0.66666666666667 0.08992387236031 6.941 6 Li 0.66666666666667 0.33333333333333 0.58992387236031 6.941 *7 Li 0.39844419345011 0.39844419345011 0.36972154512211 6.941 8 Li 0.39844419345011 0.00000000000000 0.86972154512211 6.941 9 Li 0.00000000000000 0.39844419345011 0.86972154512211 6.941 10 Li 0.00000000000000 0.60155580654989 0.36972154512211 6.941 11 Li 0.60155580654989 0.00000000000000 0.36972154512211 6.941 12 Li 0.60155580654989 0.60155580654989 0.86972154512211 6.941 *13 Li 0.31091547051800 0.31091547051800 0.72966707315707 6.941 14 Li 0.31091547051800 0.00000000000000 0.22966707315706 6.941 15 Li 0.00000000000000 0.31091547051800 0.22966707315706 6.941 16 Li 0.00000000000000 0.68908452948199 0.72966707315707 6.941 17 Li 0.68908452948199 0.00000000000000 0.72966707315707 6.941 18 Li 0.68908452948199 0.68908452948199 0.22966707315706 6.941 *19 O 0.00000000000000 0.00000000000000 0.83204845612127 15.999 20 O 0.00000000000000 0.00000000000000 0.33204845612127 15.999 *21 O 0.33333333333333 0.66666666666667 0.78072242727698 15.999 22 O 0.66666666666667 0.33333333333333 0.28072242727698 15.999 23 O 0.33333333333333 0.66666666666667 0.28072242727698 15.999 24 O 0.66666666666667 0.33333333333333 0.78072242727698 15.999 *25 O 0.30755295412064 0.30755295412064 0.54767393282985 15.999 26 O 0.30755295412064 0.00000000000000 0.04767393282985 15.999 27 O 0.00000000000000 0.30755295412064 0.04767393282985 15.999 28 O 0.00000000000000 0.69244704587936 0.54767393282985 15.999 29 O 0.69244704587936 0.00000000000000 0.54767393282985 15.999 30 O 0.69244704587936 0.69244704587936 0.04767393282985 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.473801417838689 0.000000000000000 0.000000000000000 b -2.736900708919344 4.740451083119583 0.000000000000000 c 0.000000000000000 0.000000000000000 10.695796469999999 Atomic positions (fractional): *1 Ge 0.00000000000000 0.00000000000000 0.00057133127704 72.640 > 1 2 Ge 0.00000000000000 0.00000000000000 0.50057133127704 72.640 > 2 *3 Li 0.33333333333333 0.66666666666667 0.58992387236031 6.941 > 3 4 Li 0.66666666666667 0.33333333333333 0.08992387236031 6.941 > 4 5 Li 0.33333333333333 0.66666666666667 0.08992387236031 6.941 > 5 6 Li 0.66666666666667 0.33333333333333 0.58992387236031 6.941 > 6 *7 Li 0.39844419345011 0.39844419345011 0.36972154512211 6.941 > 7 8 Li 0.39844419345011 0.00000000000000 0.86972154512211 6.941 > 8 9 Li 0.00000000000000 0.39844419345011 0.86972154512211 6.941 > 9 10 Li 0.00000000000000 0.60155580654989 0.36972154512211 6.941 > 10 11 Li 0.60155580654989 0.00000000000000 0.36972154512211 6.941 > 11 12 Li 0.60155580654989 0.60155580654989 0.86972154512211 6.941 > 12 *13 Li 0.31091547051800 0.31091547051800 0.72966707315707 6.941 > 13 14 Li 0.31091547051800 0.00000000000000 0.22966707315706 6.941 > 14 15 Li 0.00000000000000 0.31091547051800 0.22966707315706 6.941 > 15 16 Li 0.00000000000000 0.68908452948199 0.72966707315707 6.941 > 16 17 Li 0.68908452948199 0.00000000000000 0.72966707315707 6.941 > 17 18 Li 0.68908452948199 0.68908452948199 0.22966707315706 6.941 > 18 *19 O 0.00000000000000 0.00000000000000 0.83204845612127 15.999 > 19 20 O 0.00000000000000 0.00000000000000 0.33204845612127 15.999 > 20 *21 O 0.33333333333333 0.66666666666667 0.78072242727698 15.999 > 21 22 O 0.66666666666667 0.33333333333333 0.28072242727698 15.999 > 22 23 O 0.33333333333333 0.66666666666667 0.28072242727698 15.999 > 23 24 O 0.66666666666667 0.33333333333333 0.78072242727698 15.999 > 24 *25 O 0.30755295412064 0.30755295412064 0.54767393282985 15.999 > 25 26 O 0.30755295412064 0.00000000000000 0.04767393282985 15.999 > 26 27 O 0.00000000000000 0.30755295412064 0.04767393282985 15.999 > 27 28 O 0.00000000000000 0.69244704587936 0.54767393282985 15.999 > 28 29 O 0.69244704587936 0.00000000000000 0.54767393282985 15.999 > 29 30 O 0.69244704587936 0.69244704587936 0.04767393282985 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.947602835677378 0.000000000000000 0.000000000000000 b -5.473801417838688 9.480902166239167 0.000000000000000 c 0.000000000000000 0.000000000000000 10.695796469999999 Atomic positions (fractional): *1 Ge 0.00000000000000 0.00000000000000 0.00057133127704 72.640 > 1 2 Ge 0.50000000000000 0.00000000000000 0.00057133127704 72.640 > 1 3 Ge 0.00000000000000 0.50000000000000 0.00057133127704 72.640 > 1 4 Ge 0.50000000000000 0.50000000000000 0.00057133127704 72.640 > 1 5 Ge 0.00000000000000 0.00000000000000 0.50057133127704 72.640 > 2 6 Ge 0.50000000000000 0.00000000000000 0.50057133127704 72.640 > 2 7 Ge 0.00000000000000 0.50000000000000 0.50057133127704 72.640 > 2 8 Ge 0.50000000000000 0.50000000000000 0.50057133127704 72.640 > 2 *9 Li 0.16666666666667 0.33333333333333 0.58992387236031 6.941 > 3 10 Li 0.66666666666667 0.33333333333333 0.58992387236031 6.941 > 3 11 Li 0.16666666666667 0.83333333333333 0.58992387236031 6.941 > 3 12 Li 0.66666666666667 0.83333333333333 0.58992387236031 6.941 > 3 13 Li 0.33333333333333 0.16666666666667 0.08992387236031 6.941 > 4 14 Li 0.83333333333333 0.16666666666667 0.08992387236031 6.941 > 4 15 Li 0.33333333333333 0.66666666666667 0.08992387236031 6.941 > 4 16 Li 0.83333333333333 0.66666666666667 0.08992387236031 6.941 > 4 17 Li 0.16666666666667 0.33333333333333 0.08992387236031 6.941 > 5 18 Li 0.66666666666667 0.33333333333333 0.08992387236031 6.941 > 5 19 Li 0.16666666666667 0.83333333333333 0.08992387236031 6.941 > 5 20 Li 0.66666666666667 0.83333333333333 0.08992387236031 6.941 > 5 21 Li 0.33333333333333 0.16666666666667 0.58992387236031 6.941 > 6 22 Li 0.83333333333333 0.16666666666667 0.58992387236031 6.941 > 6 23 Li 0.33333333333333 0.66666666666667 0.58992387236031 6.941 > 6 24 Li 0.83333333333333 0.66666666666667 0.58992387236031 6.941 > 6 *25 Li 0.19922209672505 0.19922209672505 0.36972154512211 6.941 > 7 26 Li 0.69922209672505 0.19922209672505 0.36972154512211 6.941 > 7 27 Li 0.19922209672505 0.69922209672505 0.36972154512211 6.941 > 7 28 Li 0.69922209672505 0.69922209672505 0.36972154512211 6.941 > 7 29 Li 0.19922209672505 0.00000000000000 0.86972154512211 6.941 > 8 30 Li 0.69922209672505 0.00000000000000 0.86972154512211 6.941 > 8 31 Li 0.19922209672505 0.50000000000000 0.86972154512211 6.941 > 8 32 Li 0.69922209672505 0.50000000000000 0.86972154512211 6.941 > 8 33 Li 0.00000000000000 0.19922209672505 0.86972154512211 6.941 > 9 34 Li 0.50000000000000 0.19922209672505 0.86972154512211 6.941 > 9 35 Li 0.00000000000000 0.69922209672505 0.86972154512211 6.941 > 9 36 Li 0.50000000000000 0.69922209672505 0.86972154512211 6.941 > 9 37 Li 0.00000000000000 0.30077790327495 0.36972154512211 6.941 > 10 38 Li 0.50000000000000 0.30077790327495 0.36972154512211 6.941 > 10 39 Li 0.00000000000000 0.80077790327495 0.36972154512211 6.941 > 10 40 Li 0.50000000000000 0.80077790327495 0.36972154512211 6.941 > 10 41 Li 0.30077790327495 0.00000000000000 0.36972154512211 6.941 > 11 42 Li 0.80077790327495 0.00000000000000 0.36972154512211 6.941 > 11 43 Li 0.30077790327495 0.50000000000000 0.36972154512211 6.941 > 11 44 Li 0.80077790327495 0.50000000000000 0.36972154512211 6.941 > 11 45 Li 0.30077790327495 0.30077790327495 0.86972154512211 6.941 > 12 46 Li 0.80077790327495 0.30077790327495 0.86972154512211 6.941 > 12 47 Li 0.30077790327495 0.80077790327495 0.86972154512211 6.941 > 12 48 Li 0.80077790327495 0.80077790327495 0.86972154512211 6.941 > 12 *49 Li 0.15545773525900 0.15545773525900 0.72966707315707 6.941 > 13 50 Li 0.65545773525900 0.15545773525900 0.72966707315707 6.941 > 13 51 Li 0.15545773525900 0.65545773525900 0.72966707315707 6.941 > 13 52 Li 0.65545773525900 0.65545773525900 0.72966707315707 6.941 > 13 53 Li 0.15545773525900 0.00000000000000 0.22966707315706 6.941 > 14 54 Li 0.65545773525900 0.00000000000000 0.22966707315706 6.941 > 14 55 Li 0.15545773525900 0.50000000000000 0.22966707315706 6.941 > 14 56 Li 0.65545773525900 0.50000000000000 0.22966707315706 6.941 > 14 57 Li 0.00000000000000 0.15545773525900 0.22966707315706 6.941 > 15 58 Li 0.50000000000000 0.15545773525900 0.22966707315706 6.941 > 15 59 Li 0.00000000000000 0.65545773525900 0.22966707315706 6.941 > 15 60 Li 0.50000000000000 0.65545773525900 0.22966707315706 6.941 > 15 61 Li 0.00000000000000 0.34454226474100 0.72966707315707 6.941 > 16 62 Li 0.50000000000000 0.34454226474100 0.72966707315707 6.941 > 16 63 Li 0.00000000000000 0.84454226474100 0.72966707315707 6.941 > 16 64 Li 0.50000000000000 0.84454226474100 0.72966707315707 6.941 > 16 65 Li 0.34454226474100 0.00000000000000 0.72966707315707 6.941 > 17 66 Li 0.84454226474100 0.00000000000000 0.72966707315707 6.941 > 17 67 Li 0.34454226474100 0.50000000000000 0.72966707315707 6.941 > 17 68 Li 0.84454226474100 0.50000000000000 0.72966707315707 6.941 > 17 69 Li 0.34454226474100 0.34454226474100 0.22966707315706 6.941 > 18 70 Li 0.84454226474100 0.34454226474100 0.22966707315706 6.941 > 18 71 Li 0.34454226474100 0.84454226474100 0.22966707315706 6.941 > 18 72 Li 0.84454226474100 0.84454226474100 0.22966707315706 6.941 > 18 *73 O 0.00000000000000 0.00000000000000 0.83204845612127 15.999 > 19 74 O 0.50000000000000 0.00000000000000 0.83204845612127 15.999 > 19 75 O 0.00000000000000 0.50000000000000 0.83204845612127 15.999 > 19 76 O 0.50000000000000 0.50000000000000 0.83204845612127 15.999 > 19 77 O 0.00000000000000 0.00000000000000 0.33204845612127 15.999 > 20 78 O 0.50000000000000 0.00000000000000 0.33204845612127 15.999 > 20 79 O 0.00000000000000 0.50000000000000 0.33204845612127 15.999 > 20 80 O 0.50000000000000 0.50000000000000 0.33204845612127 15.999 > 20 *81 O 0.16666666666667 0.33333333333333 0.78072242727698 15.999 > 21 82 O 0.66666666666667 0.33333333333333 0.78072242727698 15.999 > 21 83 O 0.16666666666667 0.83333333333333 0.78072242727698 15.999 > 21 84 O 0.66666666666667 0.83333333333333 0.78072242727698 15.999 > 21 85 O 0.33333333333333 0.16666666666667 0.28072242727698 15.999 > 22 86 O 0.83333333333333 0.16666666666667 0.28072242727698 15.999 > 22 87 O 0.33333333333333 0.66666666666667 0.28072242727698 15.999 > 22 88 O 0.83333333333333 0.66666666666667 0.28072242727698 15.999 > 22 89 O 0.16666666666667 0.33333333333333 0.28072242727698 15.999 > 23 90 O 0.66666666666667 0.33333333333333 0.28072242727698 15.999 > 23 91 O 0.16666666666667 0.83333333333333 0.28072242727698 15.999 > 23 92 O 0.66666666666667 0.83333333333333 0.28072242727698 15.999 > 23 93 O 0.33333333333333 0.16666666666667 0.78072242727698 15.999 > 24 94 O 0.83333333333333 0.16666666666667 0.78072242727698 15.999 > 24 95 O 0.33333333333333 0.66666666666667 0.78072242727698 15.999 > 24 96 O 0.83333333333333 0.66666666666667 0.78072242727698 15.999 > 24 *97 O 0.15377647706032 0.15377647706032 0.54767393282985 15.999 > 25 98 O 0.65377647706032 0.15377647706032 0.54767393282985 15.999 > 25 99 O 0.15377647706032 0.65377647706032 0.54767393282985 15.999 > 25 100 O 0.65377647706032 0.65377647706032 0.54767393282985 15.999 > 25 101 O 0.15377647706032 0.00000000000000 0.04767393282985 15.999 > 26 102 O 0.65377647706032 0.00000000000000 0.04767393282985 15.999 > 26 103 O 0.15377647706032 0.50000000000000 0.04767393282985 15.999 > 26 104 O 0.65377647706032 0.50000000000000 0.04767393282985 15.999 > 26 105 O 0.00000000000000 0.15377647706032 0.04767393282985 15.999 > 27 106 O 0.50000000000000 0.15377647706032 0.04767393282985 15.999 > 27 107 O 0.00000000000000 0.65377647706032 0.04767393282985 15.999 > 27 108 O 0.50000000000000 0.65377647706032 0.04767393282985 15.999 > 27 109 O 0.00000000000000 0.34622352293968 0.54767393282985 15.999 > 28 110 O 0.50000000000000 0.34622352293968 0.54767393282985 15.999 > 28 111 O 0.00000000000000 0.84622352293968 0.54767393282985 15.999 > 28 112 O 0.50000000000000 0.84622352293968 0.54767393282985 15.999 > 28 113 O 0.34622352293968 0.00000000000000 0.54767393282985 15.999 > 29 114 O 0.84622352293968 0.00000000000000 0.54767393282985 15.999 > 29 115 O 0.34622352293968 0.50000000000000 0.54767393282985 15.999 > 29 116 O 0.84622352293968 0.50000000000000 0.54767393282985 15.999 > 29 117 O 0.34622352293968 0.34622352293968 0.04767393282985 15.999 > 30 118 O 0.84622352293968 0.34622352293968 0.04767393282985 15.999 > 30 119 O 0.34622352293968 0.84622352293968 0.04767393282985 15.999 > 30 120 O 0.84622352293968 0.84622352293968 0.04767393282985 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9522390 0.0000000 0.0000000 0.0000000 2.9522390 0.0000000 0.0000000 0.0000000 2.9778540 -------------------------- Born effective charges -------------------------- 1 Ge 2.8155204 0.0000000 -0.0000000 0.0000000 2.8155204 0.0000000 0.0000000 0.0000000 2.8547940 2 Ge 2.8155204 0.0000000 -0.0000000 0.0000000 2.8155204 0.0000000 0.0000000 0.0000000 2.8547940 3 Li 1.0185441 0.1339517 -0.0000000 -0.1339517 1.0185441 0.0000000 0.0000000 0.0000000 1.0461737 4 Li 1.0185441 0.1339517 -0.0000000 -0.1339517 1.0185441 0.0000000 0.0000000 0.0000000 1.0461737 5 Li 1.0185441 -0.1339517 -0.0000000 0.1339517 1.0185441 0.0000000 0.0000000 0.0000000 1.0461737 6 Li 1.0185441 -0.1339517 -0.0000000 0.1339517 1.0185441 0.0000000 0.0000000 0.0000000 1.0461737 7 Li 0.9196952 0.0535582 -0.0579397 0.0535582 0.9815389 -0.1003545 -0.0448272 -0.0776430 0.8340462 8 Li 1.0124608 -0.0000000 -0.1158794 0.0000000 0.8887734 0.0000000 -0.0896545 0.0000000 0.8340462 9 Li 0.9196952 -0.0535582 0.0579397 -0.0535582 0.9815389 -0.1003545 0.0448272 -0.0776430 0.8340462 10 Li 0.9196952 -0.0535582 -0.0579397 -0.0535582 0.9815389 0.1003545 -0.0448272 0.0776430 0.8340462 11 Li 1.0124608 -0.0000000 0.1158794 0.0000000 0.8887734 0.0000000 0.0896545 -0.0000000 0.8340462 12 Li 0.9196952 0.0535582 0.0579397 0.0535582 0.9815389 0.1003545 0.0448272 0.0776430 0.8340462 13 Li 0.9226992 -0.0090118 0.0364181 -0.0090118 0.9122933 0.0630780 -0.0356673 -0.0617776 0.9956335 14 Li 0.9070903 0.0000000 0.0728362 0.0000000 0.9279022 0.0000000 -0.0713346 0.0000000 0.9956335 15 Li 0.9226992 0.0090118 -0.0364181 0.0090118 0.9122933 0.0630780 0.0356673 -0.0617776 0.9956335 16 Li 0.9226992 0.0090118 0.0364181 0.0090118 0.9122933 -0.0630780 -0.0356673 0.0617776 0.9956335 17 Li 0.9070903 0.0000000 -0.0728362 0.0000000 0.9279022 0.0000000 0.0713346 -0.0000000 0.9956335 18 Li 0.9226992 -0.0090118 -0.0364181 -0.0090118 0.9122933 -0.0630780 0.0356673 0.0617776 0.9956335 19 O -1.5657054 -0.0000000 -0.0000000 0.0000000 -1.5657054 0.0000000 0.0000000 0.0000000 -2.1741136 20 O -1.5657054 -0.0000000 -0.0000000 0.0000000 -1.5657054 0.0000000 0.0000000 0.0000000 -2.1741136 21 O -1.8521777 -0.0306056 -0.0000000 0.0306056 -1.8521777 0.0000000 0.0000000 0.0000000 -1.6904778 22 O -1.8521777 -0.0306056 -0.0000000 0.0306056 -1.8521777 0.0000000 0.0000000 0.0000000 -1.6904778 23 O -1.8521777 0.0306056 -0.0000000 -0.0306056 -1.8521777 0.0000000 0.0000000 0.0000000 -1.6904778 24 O -1.8521777 0.0306056 -0.0000000 -0.0306056 -1.8521777 0.0000000 0.0000000 0.0000000 -1.6904778 25 O -1.5741229 -0.2681903 -0.1122236 -0.2681903 -1.8838024 -0.1943769 -0.1199557 -0.2077694 -1.6270371 26 O -2.0386422 0.0000000 -0.2244472 0.0000000 -1.4192831 0.0000000 -0.2399115 0.0000000 -1.6270371 27 O -1.5741229 0.2681903 0.1122236 0.2681903 -1.8838024 -0.1943769 0.1199557 -0.2077694 -1.6270371 28 O -1.5741229 0.2681903 -0.1122236 0.2681903 -1.8838024 0.1943769 -0.1199557 0.2077694 -1.6270371 29 O -2.0386422 0.0000000 0.2244472 0.0000000 -1.4192831 0.0000000 0.2399115 -0.0000000 -1.6270371 30 O -1.5741229 -0.2681903 0.1122236 -0.2681903 -1.8838024 0.1943769 0.1199557 0.2077694 -1.6270371 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 810 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 151 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 214 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (214, 207), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 10), data: (576, 16) @ (16, 10) |-- (76, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 9), data: (660, 21) @ (21, 9) |-- (160, 151), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 320 - Time: 2.007 Solver_block: 200 / 320 - Time: 2.008 Solver_block: 300 / 320 - Time: 2.014 Solver_block: 320 / 320 - Time: 0.495 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.562 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 810 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 151 eigenvectors found. (1) Complementary block size: 21 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 214 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (214, 207), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 10), data: (576, 16) @ (16, 10) |-- (76, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 9), data: (660, 21) @ (21, 9) |-- (160, 151), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:18:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:18:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.473801417838689 0.000000000000000 0.000000000000000 b -2.736900708919344 4.740451083119583 0.000000000000000 c 0.000000000000000 0.000000000000000 10.695796469999999 Atomic positions (fractional): 1 Ge 0.00000000000000 0.00000000000000 0.00057133127704 72.640 2 Ge 0.00000000000000 0.00000000000000 0.50057133127704 72.640 3 Li 0.33333333333333 0.66666666666667 0.58992387236031 6.941 4 Li 0.66666666666667 0.33333333333333 0.08992387236031 6.941 5 Li 0.33333333333333 0.66666666666667 0.08992387236031 6.941 6 Li 0.66666666666667 0.33333333333333 0.58992387236031 6.941 7 Li 0.39844419345011 0.39844419345011 0.36972154512211 6.941 8 Li 0.39844419345011 0.00000000000000 0.86972154512211 6.941 9 Li 0.00000000000000 0.39844419345011 0.86972154512211 6.941 10 Li 0.00000000000000 0.60155580654989 0.36972154512211 6.941 11 Li 0.60155580654989 0.00000000000000 0.36972154512211 6.941 12 Li 0.60155580654989 0.60155580654989 0.86972154512211 6.941 13 Li 0.31091547051800 0.31091547051800 0.72966707315707 6.941 14 Li 0.31091547051800 0.00000000000000 0.22966707315706 6.941 15 Li 0.00000000000000 0.31091547051800 0.22966707315706 6.941 16 Li 0.00000000000000 0.68908452948199 0.72966707315707 6.941 17 Li 0.68908452948199 0.00000000000000 0.72966707315707 6.941 18 Li 0.68908452948199 0.68908452948199 0.22966707315706 6.941 19 O 0.00000000000000 0.00000000000000 0.83204845612127 15.999 20 O 0.00000000000000 0.00000000000000 0.33204845612127 15.999 21 O 0.33333333333333 0.66666666666667 0.78072242727698 15.999 22 O 0.66666666666667 0.33333333333333 0.28072242727698 15.999 23 O 0.33333333333333 0.66666666666667 0.28072242727698 15.999 24 O 0.66666666666667 0.33333333333333 0.78072242727698 15.999 25 O 0.30755295412064 0.30755295412064 0.54767393282985 15.999 26 O 0.30755295412064 0.00000000000000 0.04767393282985 15.999 27 O 0.00000000000000 0.30755295412064 0.04767393282985 15.999 28 O 0.00000000000000 0.69244704587936 0.54767393282985 15.999 29 O 0.69244704587936 0.00000000000000 0.54767393282985 15.999 30 O 0.69244704587936 0.69244704587936 0.04767393282985 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.947602835677378 0.000000000000000 0.000000000000000 b -5.473801417838688 9.480902166239167 0.000000000000000 c 0.000000000000000 0.000000000000000 10.695796469999999 Atomic positions (fractional): 1 Ge 0.00000000000000 0.00000000000000 0.00057133127704 72.640 > 1 2 Ge 0.50000000000000 0.00000000000000 0.00057133127704 72.640 > 1 3 Ge 0.00000000000000 0.50000000000000 0.00057133127704 72.640 > 1 4 Ge 0.50000000000000 0.50000000000000 0.00057133127704 72.640 > 1 5 Ge 0.00000000000000 0.00000000000000 0.50057133127704 72.640 > 5 6 Ge 0.50000000000000 0.00000000000000 0.50057133127704 72.640 > 5 7 Ge 0.00000000000000 0.50000000000000 0.50057133127704 72.640 > 5 8 Ge 0.50000000000000 0.50000000000000 0.50057133127704 72.640 > 5 9 Li 0.16666666666667 0.33333333333333 0.58992387236031 6.941 > 9 10 Li 0.66666666666667 0.33333333333333 0.58992387236031 6.941 > 9 11 Li 0.16666666666667 0.83333333333333 0.58992387236031 6.941 > 9 12 Li 0.66666666666667 0.83333333333333 0.58992387236031 6.941 > 9 13 Li 0.33333333333333 0.16666666666667 0.08992387236031 6.941 > 13 14 Li 0.83333333333333 0.16666666666667 0.08992387236031 6.941 > 13 15 Li 0.33333333333333 0.66666666666667 0.08992387236031 6.941 > 13 16 Li 0.83333333333333 0.66666666666667 0.08992387236031 6.941 > 13 17 Li 0.16666666666667 0.33333333333333 0.08992387236031 6.941 > 17 18 Li 0.66666666666667 0.33333333333333 0.08992387236031 6.941 > 17 19 Li 0.16666666666667 0.83333333333333 0.08992387236031 6.941 > 17 20 Li 0.66666666666667 0.83333333333333 0.08992387236031 6.941 > 17 21 Li 0.33333333333333 0.16666666666667 0.58992387236031 6.941 > 21 22 Li 0.83333333333333 0.16666666666667 0.58992387236031 6.941 > 21 23 Li 0.33333333333333 0.66666666666667 0.58992387236031 6.941 > 21 24 Li 0.83333333333333 0.66666666666667 0.58992387236031 6.941 > 21 25 Li 0.19922209672505 0.19922209672505 0.36972154512211 6.941 > 25 26 Li 0.69922209672505 0.19922209672505 0.36972154512211 6.941 > 25 27 Li 0.19922209672505 0.69922209672505 0.36972154512211 6.941 > 25 28 Li 0.69922209672505 0.69922209672505 0.36972154512211 6.941 > 25 29 Li 0.19922209672505 0.00000000000000 0.86972154512211 6.941 > 29 30 Li 0.69922209672505 0.00000000000000 0.86972154512211 6.941 > 29 31 Li 0.19922209672505 0.50000000000000 0.86972154512211 6.941 > 29 32 Li 0.69922209672505 0.50000000000000 0.86972154512211 6.941 > 29 33 Li 0.00000000000000 0.19922209672505 0.86972154512211 6.941 > 33 34 Li 0.50000000000000 0.19922209672505 0.86972154512211 6.941 > 33 35 Li 0.00000000000000 0.69922209672505 0.86972154512211 6.941 > 33 36 Li 0.50000000000000 0.69922209672505 0.86972154512211 6.941 > 33 37 Li 0.00000000000000 0.30077790327495 0.36972154512211 6.941 > 37 38 Li 0.50000000000000 0.30077790327495 0.36972154512211 6.941 > 37 39 Li 0.00000000000000 0.80077790327495 0.36972154512211 6.941 > 37 40 Li 0.50000000000000 0.80077790327495 0.36972154512211 6.941 > 37 41 Li 0.30077790327495 0.00000000000000 0.36972154512211 6.941 > 41 42 Li 0.80077790327495 0.00000000000000 0.36972154512211 6.941 > 41 43 Li 0.30077790327495 0.50000000000000 0.36972154512211 6.941 > 41 44 Li 0.80077790327495 0.50000000000000 0.36972154512211 6.941 > 41 45 Li 0.30077790327495 0.30077790327495 0.86972154512211 6.941 > 45 46 Li 0.80077790327495 0.30077790327495 0.86972154512211 6.941 > 45 47 Li 0.30077790327495 0.80077790327495 0.86972154512211 6.941 > 45 48 Li 0.80077790327495 0.80077790327495 0.86972154512211 6.941 > 45 49 Li 0.15545773525900 0.15545773525900 0.72966707315707 6.941 > 49 50 Li 0.65545773525900 0.15545773525900 0.72966707315707 6.941 > 49 51 Li 0.15545773525900 0.65545773525900 0.72966707315707 6.941 > 49 52 Li 0.65545773525900 0.65545773525900 0.72966707315707 6.941 > 49 53 Li 0.15545773525900 0.00000000000000 0.22966707315706 6.941 > 53 54 Li 0.65545773525900 0.00000000000000 0.22966707315706 6.941 > 53 55 Li 0.15545773525900 0.50000000000000 0.22966707315706 6.941 > 53 56 Li 0.65545773525900 0.50000000000000 0.22966707315706 6.941 > 53 57 Li 0.00000000000000 0.15545773525900 0.22966707315706 6.941 > 57 58 Li 0.50000000000000 0.15545773525900 0.22966707315706 6.941 > 57 59 Li 0.00000000000000 0.65545773525900 0.22966707315706 6.941 > 57 60 Li 0.50000000000000 0.65545773525900 0.22966707315706 6.941 > 57 61 Li 0.00000000000000 0.34454226474100 0.72966707315707 6.941 > 61 62 Li 0.50000000000000 0.34454226474100 0.72966707315707 6.941 > 61 63 Li 0.00000000000000 0.84454226474100 0.72966707315707 6.941 > 61 64 Li 0.50000000000000 0.84454226474100 0.72966707315707 6.941 > 61 65 Li 0.34454226474100 0.00000000000000 0.72966707315707 6.941 > 65 66 Li 0.84454226474100 0.00000000000000 0.72966707315707 6.941 > 65 67 Li 0.34454226474100 0.50000000000000 0.72966707315707 6.941 > 65 68 Li 0.84454226474100 0.50000000000000 0.72966707315707 6.941 > 65 69 Li 0.34454226474100 0.34454226474100 0.22966707315706 6.941 > 69 70 Li 0.84454226474100 0.34454226474100 0.22966707315706 6.941 > 69 71 Li 0.34454226474100 0.84454226474100 0.22966707315706 6.941 > 69 72 Li 0.84454226474100 0.84454226474100 0.22966707315706 6.941 > 69 73 O 0.00000000000000 0.00000000000000 0.83204845612127 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.83204845612127 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.83204845612127 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.83204845612127 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.33204845612127 15.999 > 77 78 O 0.50000000000000 0.00000000000000 0.33204845612127 15.999 > 77 79 O 0.00000000000000 0.50000000000000 0.33204845612127 15.999 > 77 80 O 0.50000000000000 0.50000000000000 0.33204845612127 15.999 > 77 81 O 0.16666666666667 0.33333333333333 0.78072242727698 15.999 > 81 82 O 0.66666666666667 0.33333333333333 0.78072242727698 15.999 > 81 83 O 0.16666666666667 0.83333333333333 0.78072242727698 15.999 > 81 84 O 0.66666666666667 0.83333333333333 0.78072242727698 15.999 > 81 85 O 0.33333333333333 0.16666666666667 0.28072242727698 15.999 > 85 86 O 0.83333333333333 0.16666666666667 0.28072242727698 15.999 > 85 87 O 0.33333333333333 0.66666666666667 0.28072242727698 15.999 > 85 88 O 0.83333333333333 0.66666666666667 0.28072242727698 15.999 > 85 89 O 0.16666666666667 0.33333333333333 0.28072242727698 15.999 > 89 90 O 0.66666666666667 0.33333333333333 0.28072242727698 15.999 > 89 91 O 0.16666666666667 0.83333333333333 0.28072242727698 15.999 > 89 92 O 0.66666666666667 0.83333333333333 0.28072242727698 15.999 > 89 93 O 0.33333333333333 0.16666666666667 0.78072242727698 15.999 > 93 94 O 0.83333333333333 0.16666666666667 0.78072242727698 15.999 > 93 95 O 0.33333333333333 0.66666666666667 0.78072242727698 15.999 > 93 96 O 0.83333333333333 0.66666666666667 0.78072242727698 15.999 > 93 97 O 0.15377647706032 0.15377647706032 0.54767393282985 15.999 > 97 98 O 0.65377647706032 0.15377647706032 0.54767393282985 15.999 > 97 99 O 0.15377647706032 0.65377647706032 0.54767393282985 15.999 > 97 100 O 0.65377647706032 0.65377647706032 0.54767393282985 15.999 > 97 101 O 0.15377647706032 0.00000000000000 0.04767393282985 15.999 > 101 102 O 0.65377647706032 0.00000000000000 0.04767393282985 15.999 > 101 103 O 0.15377647706032 0.50000000000000 0.04767393282985 15.999 > 101 104 O 0.65377647706032 0.50000000000000 0.04767393282985 15.999 > 101 105 O 0.00000000000000 0.15377647706032 0.04767393282985 15.999 > 105 106 O 0.50000000000000 0.15377647706032 0.04767393282985 15.999 > 105 107 O 0.00000000000000 0.65377647706032 0.04767393282985 15.999 > 105 108 O 0.50000000000000 0.65377647706032 0.04767393282985 15.999 > 105 109 O 0.00000000000000 0.34622352293968 0.54767393282985 15.999 > 109 110 O 0.50000000000000 0.34622352293968 0.54767393282985 15.999 > 109 111 O 0.00000000000000 0.84622352293968 0.54767393282985 15.999 > 109 112 O 0.50000000000000 0.84622352293968 0.54767393282985 15.999 > 109 113 O 0.34622352293968 0.00000000000000 0.54767393282985 15.999 > 113 114 O 0.84622352293968 0.00000000000000 0.54767393282985 15.999 > 113 115 O 0.34622352293968 0.50000000000000 0.54767393282985 15.999 > 113 116 O 0.84622352293968 0.50000000000000 0.54767393282985 15.999 > 113 117 O 0.34622352293968 0.34622352293968 0.04767393282985 15.999 > 117 118 O 0.84622352293968 0.34622352293968 0.04767393282985 15.999 > 117 119 O 0.34622352293968 0.84622352293968 0.04767393282985 15.999 > 117 120 O 0.84622352293968 0.84622352293968 0.04767393282985 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9522390 0.0000000 0.0000000 0.0000000 2.9522390 0.0000000 0.0000000 0.0000000 2.9778540 -------------------------- Born effective charges -------------------------- 1 Ge 2.8155204 0.0000000 -0.0000000 0.0000000 2.8155204 0.0000000 0.0000000 0.0000000 2.8547940 2 Ge 2.8155204 0.0000000 -0.0000000 0.0000000 2.8155204 0.0000000 0.0000000 0.0000000 2.8547940 3 Li 1.0185441 0.1339517 -0.0000000 -0.1339517 1.0185441 0.0000000 0.0000000 0.0000000 1.0461737 4 Li 1.0185441 0.1339517 -0.0000000 -0.1339517 1.0185441 0.0000000 0.0000000 0.0000000 1.0461737 5 Li 1.0185441 -0.1339517 -0.0000000 0.1339517 1.0185441 0.0000000 0.0000000 0.0000000 1.0461737 6 Li 1.0185441 -0.1339517 -0.0000000 0.1339517 1.0185441 0.0000000 0.0000000 0.0000000 1.0461737 7 Li 0.9196952 0.0535582 -0.0579397 0.0535582 0.9815389 -0.1003545 -0.0448272 -0.0776430 0.8340462 8 Li 1.0124608 -0.0000000 -0.1158794 0.0000000 0.8887734 0.0000000 -0.0896545 0.0000000 0.8340462 9 Li 0.9196952 -0.0535582 0.0579397 -0.0535582 0.9815389 -0.1003545 0.0448272 -0.0776430 0.8340462 10 Li 0.9196952 -0.0535582 -0.0579397 -0.0535582 0.9815389 0.1003545 -0.0448272 0.0776430 0.8340462 11 Li 1.0124608 -0.0000000 0.1158794 0.0000000 0.8887734 0.0000000 0.0896545 -0.0000000 0.8340462 12 Li 0.9196952 0.0535582 0.0579397 0.0535582 0.9815389 0.1003545 0.0448272 0.0776430 0.8340462 13 Li 0.9226992 -0.0090118 0.0364181 -0.0090118 0.9122933 0.0630780 -0.0356673 -0.0617776 0.9956335 14 Li 0.9070903 0.0000000 0.0728362 0.0000000 0.9279022 0.0000000 -0.0713346 0.0000000 0.9956335 15 Li 0.9226992 0.0090118 -0.0364181 0.0090118 0.9122933 0.0630780 0.0356673 -0.0617776 0.9956335 16 Li 0.9226992 0.0090118 0.0364181 0.0090118 0.9122933 -0.0630780 -0.0356673 0.0617776 0.9956335 17 Li 0.9070903 0.0000000 -0.0728362 0.0000000 0.9279022 0.0000000 0.0713346 -0.0000000 0.9956335 18 Li 0.9226992 -0.0090118 -0.0364181 -0.0090118 0.9122933 -0.0630780 0.0356673 0.0617776 0.9956335 19 O -1.5657054 -0.0000000 -0.0000000 0.0000000 -1.5657054 0.0000000 0.0000000 0.0000000 -2.1741136 20 O -1.5657054 -0.0000000 -0.0000000 0.0000000 -1.5657054 0.0000000 0.0000000 0.0000000 -2.1741136 21 O -1.8521777 -0.0306056 -0.0000000 0.0306056 -1.8521777 0.0000000 0.0000000 0.0000000 -1.6904778 22 O -1.8521777 -0.0306056 -0.0000000 0.0306056 -1.8521777 0.0000000 0.0000000 0.0000000 -1.6904778 23 O -1.8521777 0.0306056 -0.0000000 -0.0306056 -1.8521777 0.0000000 0.0000000 0.0000000 -1.6904778 24 O -1.8521777 0.0306056 -0.0000000 -0.0306056 -1.8521777 0.0000000 0.0000000 0.0000000 -1.6904778 25 O -1.5741229 -0.2681903 -0.1122236 -0.2681903 -1.8838024 -0.1943769 -0.1199557 -0.2077694 -1.6270371 26 O -2.0386422 0.0000000 -0.2244472 0.0000000 -1.4192831 0.0000000 -0.2399115 0.0000000 -1.6270371 27 O -1.5741229 0.2681903 0.1122236 0.2681903 -1.8838024 -0.1943769 0.1199557 -0.2077694 -1.6270371 28 O -1.5741229 0.2681903 -0.1122236 0.2681903 -1.8838024 0.1943769 -0.1199557 0.2077694 -1.6270371 29 O -2.0386422 0.0000000 0.2244472 0.0000000 -1.4192831 0.0000000 0.2399115 -0.0000000 -1.6270371 30 O -1.5741229 -0.2681903 0.1122236 -0.2681903 -1.8838024 0.1943769 0.1199557 0.2077694 -1.6270371 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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 0.0000 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: 0.00000006 (xxz) 0.00000006 (xxz) 0.00000006 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:19:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:19:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.473801417838689 0.000000000000000 0.000000000000000 b -2.736900708919344 4.740451083119583 0.000000000000000 c 0.000000000000000 0.000000000000000 10.695796469999999 Atomic positions (fractional): 1 Ge 0.00000000000000 0.00000000000000 0.00057133127704 72.640 2 Ge 0.00000000000000 0.00000000000000 0.50057133127704 72.640 3 Li 0.33333333333333 0.66666666666667 0.58992387236031 6.941 4 Li 0.66666666666667 0.33333333333333 0.08992387236031 6.941 5 Li 0.33333333333333 0.66666666666667 0.08992387236031 6.941 6 Li 0.66666666666667 0.33333333333333 0.58992387236031 6.941 7 Li 0.39844419345011 0.39844419345011 0.36972154512211 6.941 8 Li 0.39844419345011 0.00000000000000 0.86972154512211 6.941 9 Li 0.00000000000000 0.39844419345011 0.86972154512211 6.941 10 Li 0.00000000000000 0.60155580654989 0.36972154512211 6.941 11 Li 0.60155580654989 0.00000000000000 0.36972154512211 6.941 12 Li 0.60155580654989 0.60155580654989 0.86972154512211 6.941 13 Li 0.31091547051800 0.31091547051800 0.72966707315707 6.941 14 Li 0.31091547051800 0.00000000000000 0.22966707315706 6.941 15 Li 0.00000000000000 0.31091547051800 0.22966707315706 6.941 16 Li 0.00000000000000 0.68908452948199 0.72966707315707 6.941 17 Li 0.68908452948199 0.00000000000000 0.72966707315707 6.941 18 Li 0.68908452948199 0.68908452948199 0.22966707315706 6.941 19 O 0.00000000000000 0.00000000000000 0.83204845612127 15.999 20 O 0.00000000000000 0.00000000000000 0.33204845612127 15.999 21 O 0.33333333333333 0.66666666666667 0.78072242727698 15.999 22 O 0.66666666666667 0.33333333333333 0.28072242727698 15.999 23 O 0.33333333333333 0.66666666666667 0.28072242727698 15.999 24 O 0.66666666666667 0.33333333333333 0.78072242727698 15.999 25 O 0.30755295412064 0.30755295412064 0.54767393282985 15.999 26 O 0.30755295412064 0.00000000000000 0.04767393282985 15.999 27 O 0.00000000000000 0.30755295412064 0.04767393282985 15.999 28 O 0.00000000000000 0.69244704587936 0.54767393282985 15.999 29 O 0.69244704587936 0.00000000000000 0.54767393282985 15.999 30 O 0.69244704587936 0.69244704587936 0.04767393282985 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.947602835677378 0.000000000000000 0.000000000000000 b -5.473801417838688 9.480902166239167 0.000000000000000 c 0.000000000000000 0.000000000000000 10.695796469999999 Atomic positions (fractional): 1 Ge 0.00000000000000 0.00000000000000 0.00057133127704 72.640 > 1 2 Ge 0.50000000000000 0.00000000000000 0.00057133127704 72.640 > 1 3 Ge 0.00000000000000 0.50000000000000 0.00057133127704 72.640 > 1 4 Ge 0.50000000000000 0.50000000000000 0.00057133127704 72.640 > 1 5 Ge 0.00000000000000 0.00000000000000 0.50057133127704 72.640 > 5 6 Ge 0.50000000000000 0.00000000000000 0.50057133127704 72.640 > 5 7 Ge 0.00000000000000 0.50000000000000 0.50057133127704 72.640 > 5 8 Ge 0.50000000000000 0.50000000000000 0.50057133127704 72.640 > 5 9 Li 0.16666666666667 0.33333333333333 0.58992387236031 6.941 > 9 10 Li 0.66666666666667 0.33333333333333 0.58992387236031 6.941 > 9 11 Li 0.16666666666667 0.83333333333333 0.58992387236031 6.941 > 9 12 Li 0.66666666666667 0.83333333333333 0.58992387236031 6.941 > 9 13 Li 0.33333333333333 0.16666666666667 0.08992387236031 6.941 > 13 14 Li 0.83333333333333 0.16666666666667 0.08992387236031 6.941 > 13 15 Li 0.33333333333333 0.66666666666667 0.08992387236031 6.941 > 13 16 Li 0.83333333333333 0.66666666666667 0.08992387236031 6.941 > 13 17 Li 0.16666666666667 0.33333333333333 0.08992387236031 6.941 > 17 18 Li 0.66666666666667 0.33333333333333 0.08992387236031 6.941 > 17 19 Li 0.16666666666667 0.83333333333333 0.08992387236031 6.941 > 17 20 Li 0.66666666666667 0.83333333333333 0.08992387236031 6.941 > 17 21 Li 0.33333333333333 0.16666666666667 0.58992387236031 6.941 > 21 22 Li 0.83333333333333 0.16666666666667 0.58992387236031 6.941 > 21 23 Li 0.33333333333333 0.66666666666667 0.58992387236031 6.941 > 21 24 Li 0.83333333333333 0.66666666666667 0.58992387236031 6.941 > 21 25 Li 0.19922209672505 0.19922209672505 0.36972154512211 6.941 > 25 26 Li 0.69922209672505 0.19922209672505 0.36972154512211 6.941 > 25 27 Li 0.19922209672505 0.69922209672505 0.36972154512211 6.941 > 25 28 Li 0.69922209672505 0.69922209672505 0.36972154512211 6.941 > 25 29 Li 0.19922209672505 0.00000000000000 0.86972154512211 6.941 > 29 30 Li 0.69922209672505 0.00000000000000 0.86972154512211 6.941 > 29 31 Li 0.19922209672505 0.50000000000000 0.86972154512211 6.941 > 29 32 Li 0.69922209672505 0.50000000000000 0.86972154512211 6.941 > 29 33 Li 0.00000000000000 0.19922209672505 0.86972154512211 6.941 > 33 34 Li 0.50000000000000 0.19922209672505 0.86972154512211 6.941 > 33 35 Li 0.00000000000000 0.69922209672505 0.86972154512211 6.941 > 33 36 Li 0.50000000000000 0.69922209672505 0.86972154512211 6.941 > 33 37 Li 0.00000000000000 0.30077790327495 0.36972154512211 6.941 > 37 38 Li 0.50000000000000 0.30077790327495 0.36972154512211 6.941 > 37 39 Li 0.00000000000000 0.80077790327495 0.36972154512211 6.941 > 37 40 Li 0.50000000000000 0.80077790327495 0.36972154512211 6.941 > 37 41 Li 0.30077790327495 0.00000000000000 0.36972154512211 6.941 > 41 42 Li 0.80077790327495 0.00000000000000 0.36972154512211 6.941 > 41 43 Li 0.30077790327495 0.50000000000000 0.36972154512211 6.941 > 41 44 Li 0.80077790327495 0.50000000000000 0.36972154512211 6.941 > 41 45 Li 0.30077790327495 0.30077790327495 0.86972154512211 6.941 > 45 46 Li 0.80077790327495 0.30077790327495 0.86972154512211 6.941 > 45 47 Li 0.30077790327495 0.80077790327495 0.86972154512211 6.941 > 45 48 Li 0.80077790327495 0.80077790327495 0.86972154512211 6.941 > 45 49 Li 0.15545773525900 0.15545773525900 0.72966707315707 6.941 > 49 50 Li 0.65545773525900 0.15545773525900 0.72966707315707 6.941 > 49 51 Li 0.15545773525900 0.65545773525900 0.72966707315707 6.941 > 49 52 Li 0.65545773525900 0.65545773525900 0.72966707315707 6.941 > 49 53 Li 0.15545773525900 0.00000000000000 0.22966707315706 6.941 > 53 54 Li 0.65545773525900 0.00000000000000 0.22966707315706 6.941 > 53 55 Li 0.15545773525900 0.50000000000000 0.22966707315706 6.941 > 53 56 Li 0.65545773525900 0.50000000000000 0.22966707315706 6.941 > 53 57 Li 0.00000000000000 0.15545773525900 0.22966707315706 6.941 > 57 58 Li 0.50000000000000 0.15545773525900 0.22966707315706 6.941 > 57 59 Li 0.00000000000000 0.65545773525900 0.22966707315706 6.941 > 57 60 Li 0.50000000000000 0.65545773525900 0.22966707315706 6.941 > 57 61 Li 0.00000000000000 0.34454226474100 0.72966707315707 6.941 > 61 62 Li 0.50000000000000 0.34454226474100 0.72966707315707 6.941 > 61 63 Li 0.00000000000000 0.84454226474100 0.72966707315707 6.941 > 61 64 Li 0.50000000000000 0.84454226474100 0.72966707315707 6.941 > 61 65 Li 0.34454226474100 0.00000000000000 0.72966707315707 6.941 > 65 66 Li 0.84454226474100 0.00000000000000 0.72966707315707 6.941 > 65 67 Li 0.34454226474100 0.50000000000000 0.72966707315707 6.941 > 65 68 Li 0.84454226474100 0.50000000000000 0.72966707315707 6.941 > 65 69 Li 0.34454226474100 0.34454226474100 0.22966707315706 6.941 > 69 70 Li 0.84454226474100 0.34454226474100 0.22966707315706 6.941 > 69 71 Li 0.34454226474100 0.84454226474100 0.22966707315706 6.941 > 69 72 Li 0.84454226474100 0.84454226474100 0.22966707315706 6.941 > 69 73 O 0.00000000000000 0.00000000000000 0.83204845612127 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.83204845612127 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.83204845612127 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.83204845612127 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.33204845612127 15.999 > 77 78 O 0.50000000000000 0.00000000000000 0.33204845612127 15.999 > 77 79 O 0.00000000000000 0.50000000000000 0.33204845612127 15.999 > 77 80 O 0.50000000000000 0.50000000000000 0.33204845612127 15.999 > 77 81 O 0.16666666666667 0.33333333333333 0.78072242727698 15.999 > 81 82 O 0.66666666666667 0.33333333333333 0.78072242727698 15.999 > 81 83 O 0.16666666666667 0.83333333333333 0.78072242727698 15.999 > 81 84 O 0.66666666666667 0.83333333333333 0.78072242727698 15.999 > 81 85 O 0.33333333333333 0.16666666666667 0.28072242727698 15.999 > 85 86 O 0.83333333333333 0.16666666666667 0.28072242727698 15.999 > 85 87 O 0.33333333333333 0.66666666666667 0.28072242727698 15.999 > 85 88 O 0.83333333333333 0.66666666666667 0.28072242727698 15.999 > 85 89 O 0.16666666666667 0.33333333333333 0.28072242727698 15.999 > 89 90 O 0.66666666666667 0.33333333333333 0.28072242727698 15.999 > 89 91 O 0.16666666666667 0.83333333333333 0.28072242727698 15.999 > 89 92 O 0.66666666666667 0.83333333333333 0.28072242727698 15.999 > 89 93 O 0.33333333333333 0.16666666666667 0.78072242727698 15.999 > 93 94 O 0.83333333333333 0.16666666666667 0.78072242727698 15.999 > 93 95 O 0.33333333333333 0.66666666666667 0.78072242727698 15.999 > 93 96 O 0.83333333333333 0.66666666666667 0.78072242727698 15.999 > 93 97 O 0.15377647706032 0.15377647706032 0.54767393282985 15.999 > 97 98 O 0.65377647706032 0.15377647706032 0.54767393282985 15.999 > 97 99 O 0.15377647706032 0.65377647706032 0.54767393282985 15.999 > 97 100 O 0.65377647706032 0.65377647706032 0.54767393282985 15.999 > 97 101 O 0.15377647706032 0.00000000000000 0.04767393282985 15.999 > 101 102 O 0.65377647706032 0.00000000000000 0.04767393282985 15.999 > 101 103 O 0.15377647706032 0.50000000000000 0.04767393282985 15.999 > 101 104 O 0.65377647706032 0.50000000000000 0.04767393282985 15.999 > 101 105 O 0.00000000000000 0.15377647706032 0.04767393282985 15.999 > 105 106 O 0.50000000000000 0.15377647706032 0.04767393282985 15.999 > 105 107 O 0.00000000000000 0.65377647706032 0.04767393282985 15.999 > 105 108 O 0.50000000000000 0.65377647706032 0.04767393282985 15.999 > 105 109 O 0.00000000000000 0.34622352293968 0.54767393282985 15.999 > 109 110 O 0.50000000000000 0.34622352293968 0.54767393282985 15.999 > 109 111 O 0.00000000000000 0.84622352293968 0.54767393282985 15.999 > 109 112 O 0.50000000000000 0.84622352293968 0.54767393282985 15.999 > 109 113 O 0.34622352293968 0.00000000000000 0.54767393282985 15.999 > 113 114 O 0.84622352293968 0.00000000000000 0.54767393282985 15.999 > 113 115 O 0.34622352293968 0.50000000000000 0.54767393282985 15.999 > 113 116 O 0.84622352293968 0.50000000000000 0.54767393282985 15.999 > 113 117 O 0.34622352293968 0.34622352293968 0.04767393282985 15.999 > 117 118 O 0.84622352293968 0.34622352293968 0.04767393282985 15.999 > 117 119 O 0.34622352293968 0.84622352293968 0.04767393282985 15.999 > 117 120 O 0.84622352293968 0.84622352293968 0.04767393282985 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9522390 0.0000000 0.0000000 0.0000000 2.9522390 0.0000000 0.0000000 0.0000000 2.9778540 -------------------------- Born effective charges -------------------------- 1 Ge 2.8155204 0.0000000 -0.0000000 0.0000000 2.8155204 0.0000000 0.0000000 0.0000000 2.8547940 2 Ge 2.8155204 0.0000000 -0.0000000 0.0000000 2.8155204 0.0000000 0.0000000 0.0000000 2.8547940 3 Li 1.0185441 0.1339517 -0.0000000 -0.1339517 1.0185441 0.0000000 0.0000000 0.0000000 1.0461737 4 Li 1.0185441 0.1339517 -0.0000000 -0.1339517 1.0185441 0.0000000 0.0000000 0.0000000 1.0461737 5 Li 1.0185441 -0.1339517 -0.0000000 0.1339517 1.0185441 0.0000000 0.0000000 0.0000000 1.0461737 6 Li 1.0185441 -0.1339517 -0.0000000 0.1339517 1.0185441 0.0000000 0.0000000 0.0000000 1.0461737 7 Li 0.9196952 0.0535582 -0.0579397 0.0535582 0.9815389 -0.1003545 -0.0448272 -0.0776430 0.8340462 8 Li 1.0124608 -0.0000000 -0.1158794 0.0000000 0.8887734 0.0000000 -0.0896545 0.0000000 0.8340462 9 Li 0.9196952 -0.0535582 0.0579397 -0.0535582 0.9815389 -0.1003545 0.0448272 -0.0776430 0.8340462 10 Li 0.9196952 -0.0535582 -0.0579397 -0.0535582 0.9815389 0.1003545 -0.0448272 0.0776430 0.8340462 11 Li 1.0124608 -0.0000000 0.1158794 0.0000000 0.8887734 0.0000000 0.0896545 -0.0000000 0.8340462 12 Li 0.9196952 0.0535582 0.0579397 0.0535582 0.9815389 0.1003545 0.0448272 0.0776430 0.8340462 13 Li 0.9226992 -0.0090118 0.0364181 -0.0090118 0.9122933 0.0630780 -0.0356673 -0.0617776 0.9956335 14 Li 0.9070903 0.0000000 0.0728362 0.0000000 0.9279022 0.0000000 -0.0713346 0.0000000 0.9956335 15 Li 0.9226992 0.0090118 -0.0364181 0.0090118 0.9122933 0.0630780 0.0356673 -0.0617776 0.9956335 16 Li 0.9226992 0.0090118 0.0364181 0.0090118 0.9122933 -0.0630780 -0.0356673 0.0617776 0.9956335 17 Li 0.9070903 0.0000000 -0.0728362 0.0000000 0.9279022 0.0000000 0.0713346 -0.0000000 0.9956335 18 Li 0.9226992 -0.0090118 -0.0364181 -0.0090118 0.9122933 -0.0630780 0.0356673 0.0617776 0.9956335 19 O -1.5657054 -0.0000000 -0.0000000 0.0000000 -1.5657054 0.0000000 0.0000000 0.0000000 -2.1741136 20 O -1.5657054 -0.0000000 -0.0000000 0.0000000 -1.5657054 0.0000000 0.0000000 0.0000000 -2.1741136 21 O -1.8521777 -0.0306056 -0.0000000 0.0306056 -1.8521777 0.0000000 0.0000000 0.0000000 -1.6904778 22 O -1.8521777 -0.0306056 -0.0000000 0.0306056 -1.8521777 0.0000000 0.0000000 0.0000000 -1.6904778 23 O -1.8521777 0.0306056 -0.0000000 -0.0306056 -1.8521777 0.0000000 0.0000000 0.0000000 -1.6904778 24 O -1.8521777 0.0306056 -0.0000000 -0.0306056 -1.8521777 0.0000000 0.0000000 0.0000000 -1.6904778 25 O -1.5741229 -0.2681903 -0.1122236 -0.2681903 -1.8838024 -0.1943769 -0.1199557 -0.2077694 -1.6270371 26 O -2.0386422 0.0000000 -0.2244472 0.0000000 -1.4192831 0.0000000 -0.2399115 0.0000000 -1.6270371 27 O -1.5741229 0.2681903 0.1122236 0.2681903 -1.8838024 -0.1943769 0.1199557 -0.2077694 -1.6270371 28 O -1.5741229 0.2681903 -0.1122236 0.2681903 -1.8838024 0.1943769 -0.1199557 0.2077694 -1.6270371 29 O -2.0386422 0.0000000 0.2244472 0.0000000 -1.4192831 0.0000000 0.2399115 -0.0000000 -1.6270371 30 O -1.5741229 -0.2681903 0.1122236 -0.2681903 -1.8838024 0.1943769 0.1199557 0.2077694 -1.6270371 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xxz) 0.00000006 (xxz) 0.00000006 (xzx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 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: 0.64, Number of G-points: 313, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 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 3.480 ( 0.000 0.000 -0.000) 0.000 3.480 ( -0.000 0.000 0.000) 0.000 4.584 ( 0.000 -0.000 -0.000) 0.000 4.584 ( 0.000 -0.000 -0.000) 0.000 4.797 ( 0.000 -0.000 -0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 6.377 ( -0.000 -0.000 0.000) 0.000 6.599 ( 0.000 -0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.628 ( 0.000 -0.000 0.000) 0.000 7.120 ( 0.000 -0.000 0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.669 ( 0.000 -0.000 0.000) 0.000 7.795 ( 0.000 0.000 -0.000) 0.000 8.324 ( 0.000 0.000 0.000) 0.000 8.324 ( -0.000 0.000 -0.000) 0.000 8.349 ( -0.000 0.000 0.000) 0.000 8.349 ( 0.000 0.000 0.000) 0.000 8.554 ( -0.000 0.000 -0.000) 0.000 8.994 ( 0.000 0.000 0.000) 0.000 9.259 ( -0.000 0.000 0.000) 0.000 9.273 ( 0.000 -0.000 -0.000) 0.000 9.751 ( 0.000 -0.000 0.000) 0.000 9.751 ( -0.000 0.000 0.000) 0.000 9.830 ( 0.000 0.000 -0.000) 0.000 9.865 ( 0.000 -0.000 0.000) 0.000 9.865 ( 0.000 -0.000 0.000) 0.000 10.221 ( -0.000 -0.000 -0.000) 0.000 11.060 ( -0.000 -0.000 0.000) 0.000 11.323 ( 0.000 0.000 0.000) 0.000 11.323 ( 0.000 -0.000 -0.000) 0.000 11.555 ( 0.000 -0.000 -0.000) 0.000 11.555 ( -0.000 0.000 0.000) 0.000 11.893 ( -0.000 0.000 0.000) 0.000 11.893 ( 0.000 0.000 0.000) 0.000 12.091 ( 0.000 -0.000 -0.000) 0.000 12.173 ( 0.000 0.000 0.000) 0.000 12.173 ( 0.000 -0.000 -0.000) 0.000 12.421 ( 0.000 0.000 -0.000) 0.000 12.421 ( 0.000 0.000 0.000) 0.000 12.772 ( -0.000 -0.000 0.000) 0.000 12.772 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 -0.000) 0.000 13.106 ( 0.000 -0.000 0.000) 0.000 13.106 ( 0.000 0.000 -0.000) 0.000 13.193 ( 0.000 -0.000 -0.000) 0.000 13.609 ( 0.000 -0.000 0.000) 0.000 13.609 ( 0.000 0.000 0.000) 0.000 13.787 ( -0.000 -0.000 -0.000) 0.000 13.793 ( 0.000 0.000 0.000) 0.000 13.793 ( 0.000 -0.000 0.000) 0.000 13.871 ( -0.000 -0.000 0.000) 0.000 13.995 ( 0.000 -0.000 -0.000) 0.000 14.146 ( -0.000 0.000 0.000) 0.000 14.146 ( 0.000 0.000 0.000) 0.000 14.441 ( 0.000 0.000 0.000) 0.000 14.441 ( -0.000 0.000 0.000) 0.000 14.540 ( 0.000 -0.000 0.000) 0.000 14.540 ( -0.000 -0.000 0.000) 0.000 14.969 ( 0.000 0.000 0.000) 0.000 14.969 ( 0.000 0.000 -0.000) 0.000 15.293 ( -0.000 0.000 -0.000) 0.000 15.293 ( 0.000 0.000 0.000) 0.000 15.636 ( 0.000 0.000 -0.000) 0.000 16.403 ( -0.000 -0.000 0.000) 0.000 16.620 ( -0.000 0.000 0.000) 0.000 16.620 ( 0.000 0.000 0.000) 0.000 17.029 ( 0.000 -0.000 -0.000) 0.000 17.029 ( 0.000 0.000 -0.000) 0.000 17.215 ( 0.000 0.000 0.000) 0.000 17.787 ( 0.000 0.000 -0.000) 0.000 17.981 ( 0.000 -0.000 -0.000) 0.000 18.485 ( 0.000 0.000 0.000) 0.000 18.485 ( 0.000 0.000 0.000) 0.000 18.880 ( -0.000 0.000 0.000) 0.000 18.906 ( 0.000 0.000 -0.000) 0.000 18.906 ( 0.000 0.000 0.000) 0.000 19.806 ( 0.000 0.000 -0.000) 0.000 19.844 ( 0.000 0.000 -0.000) 0.000 21.548 ( 0.000 -0.000 0.000) 0.000 21.548 ( 0.000 0.000 0.000) 0.000 21.578 ( 0.000 0.000 0.000) 0.000 21.578 ( -0.000 0.000 0.000) 0.000 21.857 ( 0.000 0.000 0.000) 0.000 22.247 ( -0.000 0.000 -0.000) 0.000 22.779 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 37.970 21.922 0.000) 43.844 0.912 ( 41.337 23.866 0.000) 47.731 1.426 ( 62.682 36.189 0.000) 72.379 3.536 ( 4.971 2.870 0.000) 5.740 3.574 ( 7.349 4.243 0.000) 8.486 4.337 ( -9.356 -5.402 0.000) 10.803 4.668 ( 7.286 4.207 0.000) 8.414 5.213 ( 24.582 14.192 0.000) 28.385 5.539 ( -0.652 -0.376 0.000) 0.753 5.630 ( 4.575 2.642 0.000) 5.283 6.348 ( -2.763 -1.595 0.000) 3.190 6.559 ( -5.431 -3.136 0.000) 6.271 6.654 ( 4.852 2.801 0.000) 5.603 6.701 ( 7.730 4.463 0.000) 8.926 7.107 ( -0.908 -0.524 0.000) 1.049 7.661 ( -0.350 -0.202 0.000) 0.404 7.674 ( -2.939 -1.697 0.000) 3.394 7.806 ( 2.607 1.505 0.000) 3.010 8.150 ( -12.848 -7.418 0.000) 14.836 8.216 ( -9.446 -5.454 0.000) 10.908 8.246 ( -7.650 -4.417 0.000) 8.833 8.360 ( 0.300 0.173 0.000) 0.347 8.636 ( 4.521 2.610 0.000) 5.221 8.687 ( -21.270 -12.280 0.000) 24.560 9.248 ( -1.841 -1.063 0.000) 2.125 9.398 ( 10.023 5.787 0.000) 11.574 9.617 ( -10.353 -5.977 0.000) 11.955 9.701 ( -5.110 -2.950 0.000) 5.901 9.984 ( 0.350 0.202 0.000) 0.404 9.986 ( 5.297 3.058 0.000) 6.117 10.056 ( 9.251 5.341 0.000) 10.682 10.287 ( 7.413 4.280 0.000) 8.560 11.106 ( 2.661 1.536 0.000) 3.073 11.278 ( -3.347 -1.932 0.000) 3.865 11.300 ( -3.024 -1.746 0.000) 3.491 11.475 ( -10.699 -6.177 0.000) 12.354 11.533 ( -3.020 -1.744 0.000) 3.487 11.817 ( -8.967 -5.177 0.000) 10.355 11.889 ( -0.840 -0.485 0.000) 0.970 12.050 ( 0.034 0.020 0.000) 0.040 12.158 ( -1.087 -0.628 0.000) 1.255 12.171 ( -0.807 -0.466 0.000) 0.931 12.325 ( -7.570 -4.370 0.000) 8.741 12.618 ( -10.023 -5.787 0.000) 11.574 12.723 ( -4.621 -2.668 0.000) 5.335 12.894 ( -9.352 -5.399 0.000) 10.798 12.898 ( 4.798 2.770 0.000) 5.541 12.952 ( -9.452 -5.457 0.000) 10.914 12.995 ( -5.104 -2.947 0.000) 5.893 13.203 ( 0.196 0.113 0.000) 0.227 13.451 ( -13.463 -7.773 0.000) 15.545 13.488 ( -9.421 -5.439 0.000) 10.878 13.730 ( -8.517 -4.917 0.000) 9.834 13.731 ( -5.183 -2.993 0.000) 5.985 13.839 ( 3.881 2.241 0.000) 4.482 13.879 ( 5.469 3.157 0.000) 6.315 14.050 ( 6.431 3.713 0.000) 7.426 14.274 ( 10.058 5.807 0.000) 11.614 14.392 ( 7.659 4.422 0.000) 8.844 14.445 ( 0.625 0.361 0.000) 0.722 14.613 ( 7.275 4.200 0.000) 8.401 14.752 ( 11.930 6.888 0.000) 13.775 14.955 ( -1.076 -0.621 0.000) 1.243 15.066 ( 12.724 7.346 0.000) 14.692 15.224 ( 6.310 3.643 0.000) 7.286 15.332 ( 1.611 0.930 0.000) 1.861 15.548 ( -5.562 -3.211 0.000) 6.422 16.397 ( -0.484 -0.279 0.000) 0.558 16.564 ( -4.252 -2.455 0.000) 4.909 16.697 ( 6.027 3.479 0.000) 6.959 16.794 ( 0.990 0.572 0.000) 1.143 17.045 ( 1.448 0.836 0.000) 1.672 17.291 ( 5.716 3.300 0.000) 6.600 17.738 ( -4.021 -2.322 0.000) 4.644 17.926 ( -4.490 -2.592 0.000) 5.185 18.169 ( 2.216 1.280 0.000) 2.559 18.595 ( 9.131 5.272 0.000) 10.544 18.892 ( 0.707 0.408 0.000) 0.817 18.914 ( 0.739 0.427 0.000) 0.853 18.954 ( 4.237 2.446 0.000) 4.893 19.015 ( -1.878 -1.084 0.000) 2.169 19.798 ( -0.662 -0.382 0.000) 0.764 19.844 ( -0.107 -0.062 0.000) 0.124 21.261 ( -15.352 -8.864 0.000) 17.727 21.569 ( 1.885 1.088 0.000) 2.176 21.599 ( 1.903 1.099 0.000) 2.197 22.181 ( 18.532 10.699 0.000) 21.398 22.272 ( 2.273 1.312 0.000) 2.624 22.765 ( -1.142 -0.659 0.000) 1.319 23.705 ( -2.903 -1.676 0.000) 3.352 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 36.947 21.331 0.000) 42.663 1.814 ( 40.030 23.111 0.000) 46.222 2.743 ( 55.111 31.818 0.000) 63.636 3.692 ( 8.876 5.124 0.000) 10.249 3.730 ( 5.639 3.256 0.000) 6.512 4.277 ( 3.713 2.144 0.000) 4.288 4.880 ( 11.036 6.371 0.000) 12.743 5.526 ( -0.460 -0.266 0.000) 0.531 5.761 ( 23.328 13.469 0.000) 26.937 5.782 ( 9.247 5.339 0.000) 10.677 6.248 ( -6.444 -3.720 0.000) 7.441 6.388 ( -9.692 -5.596 0.000) 11.192 6.804 ( 8.374 4.834 0.000) 9.669 6.867 ( 3.675 2.122 0.000) 4.243 7.123 ( 4.608 2.661 0.000) 5.321 7.481 ( -15.745 -9.090 0.000) 18.181 7.663 ( 0.104 0.060 0.000) 0.120 7.805 ( -17.107 -9.877 0.000) 19.754 7.913 ( -4.793 -2.767 0.000) 5.535 7.921 ( -4.455 -2.572 0.000) 5.144 8.119 ( -1.730 -0.999 0.000) 1.997 8.198 ( -15.438 -8.913 0.000) 17.826 8.450 ( 3.235 1.868 0.000) 3.735 8.683 ( -0.444 -0.257 0.000) 0.513 9.217 ( -0.385 -0.223 0.000) 0.445 9.363 ( -9.661 -5.578 0.000) 11.155 9.526 ( -2.631 -1.519 0.000) 3.038 9.751 ( 11.114 6.417 0.000) 12.834 9.960 ( -2.454 -1.417 0.000) 2.833 10.092 ( 4.540 2.621 0.000) 5.242 10.168 ( 1.921 1.109 0.000) 2.218 10.541 ( 11.958 6.904 0.000) 13.808 11.016 ( -20.279 -11.708 0.000) 23.416 11.087 ( -5.103 -2.946 0.000) 5.892 11.195 ( -6.133 -3.541 0.000) 7.082 11.336 ( -1.813 -1.047 0.000) 2.093 11.412 ( -5.842 -3.373 0.000) 6.746 11.551 ( -14.434 -8.333 0.000) 16.667 11.811 ( -7.818 -4.514 0.000) 9.027 12.021 ( -9.691 -5.595 0.000) 11.190 12.063 ( -5.517 -3.185 0.000) 6.371 12.139 ( 2.214 1.278 0.000) 2.556 12.282 ( 2.888 1.667 0.000) 3.335 12.310 ( -13.397 -7.735 0.000) 15.470 12.541 ( -9.856 -5.690 0.000) 11.381 12.705 ( -6.604 -3.813 0.000) 7.625 12.732 ( -10.018 -5.784 0.000) 11.567 12.932 ( -3.641 -2.102 0.000) 4.205 12.942 ( 0.123 0.071 0.000) 0.142 13.126 ( -4.671 -2.697 0.000) 5.394 13.328 ( -3.885 -2.243 0.000) 4.486 13.340 ( 1.713 0.989 0.000) 1.978 13.579 ( -6.773 -3.910 0.000) 7.821 13.596 ( -5.041 -2.911 0.000) 5.821 13.907 ( 2.886 1.666 0.000) 3.332 13.955 ( 0.928 0.536 0.000) 1.072 14.212 ( 7.623 4.401 0.000) 8.803 14.415 ( -2.071 -1.195 0.000) 2.391 14.450 ( 5.247 3.029 0.000) 6.059 14.567 ( 6.822 3.939 0.000) 7.877 14.837 ( 8.760 5.058 0.000) 10.115 14.889 ( 3.657 2.111 0.000) 4.223 14.944 ( 3.039 1.755 0.000) 3.510 15.208 ( -9.340 -5.392 0.000) 10.785 15.387 ( 7.887 4.554 0.000) 9.107 15.458 ( 8.861 5.116 0.000) 10.232 15.618 ( 17.572 10.145 0.000) 20.290 16.390 ( 0.065 0.037 0.000) 0.075 16.463 ( -4.545 -2.624 0.000) 5.248 16.821 ( 1.471 0.849 0.000) 1.699 16.843 ( 6.416 3.705 0.000) 7.409 17.091 ( 2.516 1.453 0.000) 2.906 17.407 ( 3.695 2.133 0.000) 4.267 17.614 ( -7.134 -4.119 0.000) 8.238 17.817 ( -4.725 -2.728 0.000) 5.456 18.237 ( 3.743 2.161 0.000) 4.323 18.848 ( 12.943 7.473 0.000) 14.945 18.895 ( -1.923 -1.110 0.000) 2.220 18.942 ( 1.837 1.060 0.000) 2.121 18.966 ( 1.098 0.634 0.000) 1.268 19.112 ( 8.151 4.706 0.000) 9.412 19.785 ( -0.314 -0.181 0.000) 0.362 19.834 ( -0.938 -0.541 0.000) 1.083 20.973 ( -10.555 -6.094 0.000) 12.188 21.629 ( 3.359 1.939 0.000) 3.879 21.661 ( 3.596 2.076 0.000) 4.152 22.346 ( 4.362 2.519 0.000) 5.037 22.555 ( 14.436 8.335 0.000) 16.670 22.735 ( -1.296 -0.748 0.000) 1.496 23.610 ( -5.656 -3.266 0.000) 6.531 ======================= Grid point 3 (4/48) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 34.367 19.842 0.000) 39.683 2.676 ( 37.552 21.681 0.000) 43.361 3.790 ( 35.367 20.419 0.000) 40.839 3.849 ( 6.157 3.555 0.000) 7.110 3.925 ( 13.991 8.078 0.000) 16.156 4.410 ( 5.816 3.358 0.000) 6.716 5.123 ( 10.244 5.914 0.000) 11.829 5.509 ( -1.411 -0.815 0.000) 1.630 6.024 ( 8.943 5.163 0.000) 10.327 6.069 ( -6.362 -3.673 0.000) 7.346 6.140 ( -9.328 -5.385 0.000) 10.771 6.194 ( 11.744 6.780 0.000) 13.560 6.808 ( -7.074 -4.084 0.000) 8.169 6.993 ( -14.531 -8.390 0.000) 16.779 7.022 ( 0.618 0.357 0.000) 0.713 7.274 ( 4.336 2.503 0.000) 5.007 7.461 ( -11.857 -6.846 0.000) 13.692 7.619 ( -11.590 -6.691 0.000) 13.383 7.687 ( 4.746 2.740 0.000) 5.480 7.925 ( -7.181 -4.146 0.000) 8.292 8.078 ( 7.201 4.157 0.000) 8.315 8.194 ( 5.630 3.250 0.000) 6.501 8.587 ( 8.125 4.691 0.000) 9.382 8.690 ( 4.059 2.344 0.000) 4.687 9.182 ( -6.668 -3.850 0.000) 7.700 9.233 ( 1.055 0.609 0.000) 1.218 9.459 ( -2.390 -1.380 0.000) 2.760 9.872 ( -5.530 -3.193 0.000) 6.385 9.983 ( 7.544 4.356 0.000) 8.711 10.177 ( -0.843 -0.487 0.000) 0.973 10.202 ( 5.592 3.228 0.000) 6.457 10.431 ( -22.193 -12.813 0.000) 25.626 10.864 ( 7.356 4.247 0.000) 8.494 10.896 ( -11.483 -6.629 0.000) 13.259 10.992 ( -9.009 -5.201 0.000) 10.402 11.195 ( -16.925 -9.771 0.000) 19.543 11.285 ( -9.101 -5.254 0.000) 10.509 11.288 ( -4.199 -2.424 0.000) 4.849 11.598 ( -6.511 -3.759 0.000) 7.518 11.741 ( -15.709 -9.070 0.000) 18.139 11.843 ( -8.806 -5.084 0.000) 10.168 12.135 ( -6.350 -3.666 0.000) 7.332 12.224 ( -7.617 -4.398 0.000) 8.796 12.264 ( 6.681 3.857 0.000) 7.715 12.503 ( -8.921 -5.150 0.000) 10.301 12.522 ( 7.981 4.608 0.000) 9.216 12.563 ( -6.322 -3.650 0.000) 7.301 12.824 ( -4.484 -2.589 0.000) 5.178 12.992 ( 3.808 2.199 0.000) 4.398 13.048 ( -3.450 -1.992 0.000) 3.984 13.301 ( 0.790 0.456 0.000) 0.912 13.380 ( 0.912 0.527 0.000) 1.053 13.480 ( -2.156 -1.245 0.000) 2.489 13.489 ( -4.312 -2.490 0.000) 4.979 13.935 ( -2.115 -1.221 0.000) 2.442 13.981 ( 3.869 2.234 0.000) 4.467 14.327 ( -6.518 -3.763 0.000) 7.526 14.366 ( 6.098 3.521 0.000) 7.042 14.518 ( 1.365 0.788 0.000) 1.576 14.652 ( -0.338 -0.195 0.000) 0.390 14.853 ( -1.993 -1.151 0.000) 2.302 14.966 ( 1.182 0.682 0.000) 1.365 15.038 ( -1.470 -0.849 0.000) 1.697 15.180 ( 12.063 6.964 0.000) 13.929 15.554 ( 2.821 1.629 0.000) 3.258 15.556 ( 7.040 4.065 0.000) 8.130 16.082 ( 20.091 11.600 0.000) 23.199 16.370 ( -3.778 -2.181 0.000) 4.362 16.408 ( 1.714 0.990 0.000) 1.979 16.857 ( 1.761 1.016 0.000) 2.033 16.968 ( 4.898 2.828 0.000) 5.655 17.139 ( 1.288 0.744 0.000) 1.487 17.428 ( -1.900 -1.097 0.000) 2.194 17.449 ( -6.909 -3.989 0.000) 7.978 17.713 ( -5.117 -2.954 0.000) 5.909 18.320 ( 3.266 1.886 0.000) 3.771 18.825 ( -3.246 -1.874 0.000) 3.748 18.995 ( 2.893 1.670 0.000) 3.341 19.056 ( 6.117 3.531 0.000) 7.063 19.141 ( 12.937 7.469 0.000) 14.939 19.305 ( 8.789 5.074 0.000) 10.148 19.792 ( 1.020 0.589 0.000) 1.178 19.799 ( -2.320 -1.340 0.000) 2.679 20.782 ( -7.078 -4.087 0.000) 8.173 21.711 ( 3.932 2.270 0.000) 4.541 21.753 ( 4.534 2.618 0.000) 5.235 22.464 ( 6.255 3.611 0.000) 7.223 22.692 ( -1.062 -0.613 0.000) 1.227 22.830 ( 9.036 5.217 0.000) 10.434 23.458 ( -8.005 -4.622 0.000) 9.243 ======================= Grid point 4 (5/48) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 28.476 16.441 0.000) 32.881 3.456 ( 32.021 18.487 0.000) 36.974 4.016 ( 8.667 5.004 0.000) 10.008 4.138 ( 10.570 6.102 0.000) 12.205 4.401 ( 14.199 8.198 0.000) 16.396 4.473 ( -0.497 -0.287 0.000) 0.574 5.259 ( -1.091 -0.630 0.000) 1.260 5.438 ( -5.622 -3.246 0.000) 6.492 5.895 ( -9.990 -5.768 0.000) 11.535 5.909 ( -0.919 -0.531 0.000) 1.061 6.247 ( 4.183 2.415 0.000) 4.830 6.346 ( -0.307 -0.177 0.000) 0.355 6.525 ( -15.795 -9.119 0.000) 18.239 6.646 ( -5.145 -2.970 0.000) 5.941 7.243 ( 8.101 4.677 0.000) 9.354 7.257 ( -2.765 -1.596 0.000) 3.193 7.346 ( 0.344 0.198 0.000) 0.397 7.409 ( -5.823 -3.362 0.000) 6.723 7.893 ( 11.178 6.454 0.000) 12.908 7.901 ( 6.252 3.610 0.000) 7.220 8.259 ( 0.974 0.562 0.000) 1.125 8.284 ( 11.880 6.859 0.000) 13.718 8.767 ( 6.838 3.948 0.000) 7.896 8.795 ( -1.784 -1.030 0.000) 2.060 9.134 ( 4.074 2.352 0.000) 4.704 9.193 ( -6.480 -3.741 0.000) 7.482 9.490 ( 8.421 4.862 0.000) 9.724 9.717 ( -9.093 -5.250 0.000) 10.500 9.957 ( -16.552 -9.557 0.000) 19.113 10.043 ( -1.373 -0.793 0.000) 1.585 10.157 ( -1.201 -0.693 0.000) 1.386 10.326 ( 5.186 2.994 0.000) 5.988 10.657 ( -11.443 -6.607 0.000) 13.213 10.767 ( -20.702 -11.952 0.000) 23.905 10.828 ( -3.750 -2.165 0.000) 4.330 10.977 ( 2.145 1.238 0.000) 2.477 11.053 ( -8.730 -5.040 0.000) 10.081 11.196 ( -2.058 -1.188 0.000) 2.377 11.514 ( -11.234 -6.486 0.000) 12.971 11.528 ( -5.227 -3.018 0.000) 6.035 11.594 ( -5.462 -3.154 0.000) 6.307 11.939 ( -9.527 -5.500 0.000) 11.001 12.103 ( -3.016 -1.741 0.000) 3.482 12.385 ( -1.144 -0.660 0.000) 1.321 12.430 ( -5.184 -2.993 0.000) 5.986 12.431 ( 6.704 3.871 0.000) 7.741 12.744 ( -2.919 -1.685 0.000) 3.371 12.746 ( 10.836 6.256 0.000) 12.512 12.965 ( -3.856 -2.226 0.000) 4.453 13.078 ( 3.183 1.838 0.000) 3.675 13.329 ( 0.771 0.445 0.000) 0.890 13.383 ( -0.160 -0.092 0.000) 0.184 13.442 ( 1.366 0.789 0.000) 1.577 13.456 ( -0.662 -0.382 0.000) 0.764 13.880 ( -2.688 -1.552 0.000) 3.103 14.075 ( 4.383 2.531 0.000) 5.062 14.112 ( -12.514 -7.225 0.000) 14.450 14.446 ( -0.072 -0.041 0.000) 0.083 14.558 ( 3.787 2.187 0.000) 4.373 14.583 ( -4.012 -2.316 0.000) 4.632 14.804 ( -2.380 -1.374 0.000) 2.748 14.946 ( -0.199 -0.115 0.000) 0.229 15.127 ( 4.755 2.745 0.000) 5.490 15.400 ( 7.383 4.263 0.000) 8.525 15.609 ( 2.189 1.264 0.000) 2.527 15.685 ( 4.451 2.570 0.000) 5.140 16.300 ( -2.388 -1.379 0.000) 2.758 16.465 ( 3.156 1.822 0.000) 3.644 16.472 ( 14.988 8.653 0.000) 17.307 16.900 ( 2.138 1.235 0.000) 2.469 17.062 ( 3.586 2.070 0.000) 4.141 17.121 ( -2.988 -1.725 0.000) 3.451 17.339 ( -5.499 -3.175 0.000) 6.350 17.344 ( -2.419 -1.396 0.000) 2.793 17.585 ( -6.197 -3.578 0.000) 7.155 18.369 ( 1.172 0.677 0.000) 1.354 18.771 ( -1.525 -0.880 0.000) 1.761 19.060 ( 2.686 1.551 0.000) 3.102 19.214 ( 7.672 4.429 0.000) 8.858 19.397 ( 9.644 5.568 0.000) 11.136 19.479 ( 6.392 3.691 0.000) 7.381 19.732 ( -3.583 -2.069 0.000) 4.137 19.829 ( 2.211 1.276 0.000) 2.553 20.647 ( -5.187 -2.995 0.000) 5.990 21.793 ( 3.193 1.844 0.000) 3.687 21.850 ( 3.996 2.307 0.000) 4.614 22.622 ( 8.019 4.630 0.000) 9.259 22.667 ( -1.053 -0.608 0.000) 1.216 22.984 ( 4.859 2.805 0.000) 5.610 23.261 ( -9.586 -5.535 0.000) 11.069 ======================= Grid point 5 (6/48) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( 13.361 7.714 0.000) 15.428 4.005 ( 14.038 8.105 0.000) 16.209 4.213 ( 8.558 4.941 0.000) 9.882 4.369 ( 10.111 5.837 0.000) 11.675 4.396 ( -5.891 -3.401 0.000) 6.803 4.537 ( 1.038 0.599 0.000) 1.198 5.079 ( -10.589 -6.113 0.000) 12.227 5.281 ( -6.124 -3.536 0.000) 7.071 5.739 ( -3.639 -2.101 0.000) 4.202 5.987 ( 3.982 2.299 0.000) 4.598 6.141 ( -6.213 -3.587 0.000) 7.174 6.281 ( -2.518 -1.454 0.000) 2.907 6.408 ( -0.371 -0.214 0.000) 0.429 6.591 ( -0.917 -0.529 0.000) 1.058 7.212 ( -1.182 -0.682 0.000) 1.364 7.257 ( -1.787 -1.032 0.000) 2.064 7.404 ( 2.948 1.702 0.000) 3.404 7.434 ( 2.743 1.584 0.000) 3.168 8.081 ( 4.185 2.416 0.000) 4.832 8.171 ( 13.704 7.912 0.000) 15.824 8.280 ( 1.343 0.775 0.000) 1.551 8.597 ( 14.640 8.452 0.000) 16.905 8.675 ( -4.769 -2.753 0.000) 5.506 8.810 ( -4.850 -2.800 0.000) 5.600 8.965 ( -10.447 -6.032 0.000) 12.063 9.194 ( 0.840 0.485 0.000) 0.970 9.483 ( -7.714 -4.454 0.000) 8.908 9.768 ( 7.429 4.289 0.000) 8.578 9.770 ( -2.962 -1.710 0.000) 3.420 10.069 ( 9.377 5.414 0.000) 10.827 10.089 ( -5.100 -2.945 0.000) 5.889 10.372 ( -13.071 -7.547 0.000) 15.094 10.437 ( -6.047 -3.491 0.000) 6.983 10.443 ( 5.175 2.988 0.000) 5.975 10.826 ( 1.389 0.802 0.000) 1.604 10.911 ( -5.193 -2.998 0.000) 5.997 11.010 ( 1.454 0.840 0.000) 1.679 11.145 ( -13.251 -7.651 0.000) 15.301 11.180 ( -0.459 -0.265 0.000) 0.530 11.428 ( -3.373 -1.948 0.000) 3.895 11.598 ( 0.925 0.534 0.000) 1.068 11.796 ( -2.919 -1.685 0.000) 3.371 12.064 ( -0.862 -0.498 0.000) 0.995 12.350 ( -1.807 -1.043 0.000) 2.086 12.371 ( -0.131 -0.076 0.000) 0.152 12.579 ( 5.526 3.190 0.000) 6.381 12.685 ( -2.667 -1.540 0.000) 3.079 12.891 ( -2.336 -1.349 0.000) 2.698 12.951 ( 6.205 3.583 0.000) 7.165 13.112 ( -0.068 -0.039 0.000) 0.079 13.336 ( 0.342 0.198 0.000) 0.395 13.381 ( -0.030 -0.017 0.000) 0.034 13.443 ( -0.409 -0.236 0.000) 0.472 13.559 ( 8.577 4.952 0.000) 9.903 13.799 ( -10.361 -5.982 0.000) 11.964 13.844 ( -4.387 -2.533 0.000) 5.066 14.159 ( 2.579 1.489 0.000) 2.978 14.409 ( -1.809 -1.045 0.000) 2.089 14.518 ( -1.606 -0.927 0.000) 1.855 14.659 ( 4.370 2.523 0.000) 5.046 14.745 ( -3.003 -1.734 0.000) 3.468 14.950 ( 0.194 0.112 0.000) 0.225 15.200 ( 1.698 0.980 0.000) 1.961 15.503 ( 2.130 1.230 0.000) 2.459 15.646 ( 0.974 0.562 0.000) 1.124 15.750 ( 1.400 0.808 0.000) 1.616 16.267 ( -0.676 -0.390 0.000) 0.781 16.527 ( 1.825 1.053 0.000) 2.107 16.733 ( 7.764 4.483 0.000) 8.966 16.949 ( 1.892 1.093 0.000) 2.185 17.025 ( -3.878 -2.239 0.000) 4.478 17.143 ( 2.763 1.595 0.000) 3.190 17.222 ( -3.910 -2.258 0.000) 4.515 17.308 ( -1.427 -0.824 0.000) 1.648 17.468 ( -3.327 -1.921 0.000) 3.842 18.380 ( 0.055 0.031 0.000) 0.063 18.753 ( -0.282 -0.163 0.000) 0.326 19.103 ( 1.070 0.618 0.000) 1.235 19.368 ( 5.154 2.976 0.000) 5.951 19.546 ( 3.465 2.001 0.000) 4.002 19.563 ( 0.623 0.360 0.000) 0.719 19.661 ( -1.749 -1.010 0.000) 2.020 19.876 ( 1.528 0.882 0.000) 1.764 20.560 ( -2.309 -1.333 0.000) 2.666 21.844 ( 1.229 0.710 0.000) 1.419 21.916 ( 1.646 0.950 0.000) 1.901 22.649 ( -0.461 -0.266 0.000) 0.533 22.816 ( 9.215 5.320 0.000) 10.641 23.042 ( -9.846 -5.685 0.000) 11.369 23.052 ( 1.482 0.856 0.000) 1.711 ======================= Grid point 12 (7/48) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 20.845 36.104 0.000) 41.689 1.575 ( 23.355 40.452 0.000) 46.710 2.417 ( 33.753 58.463 0.000) 67.507 3.636 ( 4.314 7.473 0.000) 8.629 3.698 ( 3.950 6.842 0.000) 7.900 4.265 ( 0.359 0.622 0.000) 0.718 4.814 ( 6.367 11.027 0.000) 12.733 5.526 ( -0.466 -0.807 0.000) 0.932 5.609 ( 12.406 21.488 0.000) 24.812 5.740 ( 5.796 10.039 0.000) 11.592 6.291 ( -2.436 -4.219 0.000) 4.871 6.446 ( -4.577 -7.927 0.000) 9.153 6.774 ( 3.993 6.917 0.000) 7.987 6.821 ( 4.691 8.126 0.000) 9.383 7.084 ( -0.437 -0.757 0.000) 0.874 7.658 ( 0.678 1.174 0.000) 1.355 7.687 ( -2.618 -4.534 0.000) 5.235 7.695 ( -6.262 -10.846 0.000) 12.524 7.903 ( -8.524 -14.764 0.000) 17.048 8.065 ( -3.405 -5.897 0.000) 6.809 8.201 ( -2.331 -4.037 0.000) 4.662 8.285 ( -10.486 -18.163 0.000) 20.973 8.376 ( -1.344 -2.327 0.000) 2.687 8.701 ( 1.477 2.557 0.000) 2.953 9.226 ( -0.136 -0.236 0.000) 0.273 9.444 ( -6.482 -11.228 0.000) 12.965 9.576 ( -3.335 -5.776 0.000) 6.669 9.602 ( 7.153 12.389 0.000) 14.305 9.994 ( -0.020 -0.034 0.000) 0.039 10.090 ( 3.396 5.882 0.000) 6.792 10.134 ( 1.168 2.023 0.000) 2.336 10.482 ( 8.541 14.794 0.000) 17.083 11.090 ( -10.036 -17.384 0.000) 20.073 11.122 ( -0.785 -1.360 0.000) 1.570 11.289 ( -5.713 -9.895 0.000) 11.426 11.298 ( -1.956 -3.388 0.000) 3.912 11.429 ( -4.173 -7.228 0.000) 8.346 11.680 ( -5.379 -9.316 0.000) 10.757 11.840 ( -3.445 -5.967 0.000) 6.890 11.986 ( -8.392 -14.535 0.000) 16.784 12.078 ( 1.576 2.730 0.000) 3.153 12.182 ( -0.156 -0.270 0.000) 0.311 12.267 ( 1.053 1.824 0.000) 2.106 12.472 ( -5.773 -9.999 0.000) 11.546 12.641 ( -3.999 -6.926 0.000) 7.998 12.711 ( -7.163 -12.406 0.000) 14.326 12.804 ( -5.520 -9.560 0.000) 11.039 12.855 ( -1.619 -2.803 0.000) 3.237 12.989 ( 0.998 1.729 0.000) 1.997 13.150 ( -4.498 -7.790 0.000) 8.996 13.338 ( -0.537 -0.931 0.000) 1.075 13.365 ( -3.939 -6.823 0.000) 7.879 13.509 ( -4.965 -8.600 0.000) 9.930 13.658 ( -2.723 -4.717 0.000) 5.446 13.997 ( 4.107 7.114 0.000) 8.214 14.031 ( 3.512 6.083 0.000) 7.025 14.057 ( -0.168 -0.292 0.000) 0.337 14.274 ( 1.755 3.040 0.000) 3.510 14.473 ( 1.047 1.814 0.000) 2.095 14.689 ( 8.585 14.870 0.000) 17.170 14.727 ( 4.443 7.696 0.000) 8.886 14.819 ( 1.545 2.676 0.000) 3.089 14.938 ( -0.561 -0.971 0.000) 1.121 15.240 ( -2.053 -3.556 0.000) 4.106 15.372 ( 8.841 15.313 0.000) 17.682 15.396 ( 1.757 3.043 0.000) 3.513 15.513 ( 5.576 9.659 0.000) 11.153 16.393 ( 0.055 0.094 0.000) 0.109 16.488 ( -2.727 -4.724 0.000) 5.455 16.788 ( 2.044 3.540 0.000) 4.087 16.837 ( 2.914 5.047 0.000) 5.828 17.040 ( -0.009 -0.015 0.000) 0.018 17.439 ( 5.254 9.100 0.000) 10.508 17.671 ( -2.562 -4.437 0.000) 5.124 17.810 ( -4.614 -7.992 0.000) 9.228 18.217 ( 1.605 2.779 0.000) 3.209 18.770 ( 7.049 12.209 0.000) 14.098 18.868 ( -0.770 -1.334 0.000) 1.540 18.953 ( -0.819 -1.418 0.000) 1.637 19.019 ( 2.482 4.299 0.000) 4.964 19.020 ( 3.257 5.641 0.000) 6.513 19.784 ( -0.554 -0.959 0.000) 1.107 19.842 ( -0.097 -0.167 0.000) 0.193 21.037 ( -6.955 -12.047 0.000) 13.910 21.613 ( 1.994 3.454 0.000) 3.988 21.644 ( 2.045 3.542 0.000) 4.090 22.318 ( 2.083 3.608 0.000) 4.166 22.465 ( 9.151 15.850 0.000) 18.302 22.743 ( -0.884 -1.532 0.000) 1.769 23.642 ( -2.849 -4.935 0.000) 5.698 ======================= Grid point 13 (8/48) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 27.807 27.879 0.000) 39.376 2.377 ( 29.194 33.686 0.000) 44.577 3.485 ( 33.750 40.899 0.000) 53.026 3.806 ( 4.993 6.004 0.000) 7.809 3.819 ( 7.044 6.582 0.000) 9.641 4.368 ( 5.176 6.863 0.000) 8.596 5.058 ( 8.419 11.948 0.000) 14.617 5.506 ( -0.690 -2.058 0.000) 2.170 5.871 ( 9.335 3.216 0.000) 9.874 6.035 ( 7.233 8.931 0.000) 11.492 6.216 ( -3.397 3.135 0.000) 4.623 6.268 ( -6.503 -5.421 0.000) 8.466 6.862 ( -4.114 -3.190 0.000) 5.206 6.920 ( 6.495 5.579 0.000) 8.562 7.142 ( -0.559 -5.384 0.000) 5.413 7.303 ( -12.861 -5.190 0.000) 13.869 7.510 ( -6.833 -14.842 0.000) 16.339 7.678 ( -1.554 1.489 0.000) 2.152 7.761 ( -6.111 -9.028 0.000) 10.902 7.892 ( -0.317 -6.564 0.000) 6.572 7.974 ( -4.840 -9.198 0.000) 10.394 8.228 ( 1.938 7.773 0.000) 8.011 8.458 ( 7.204 1.444 0.000) 7.347 8.740 ( 0.537 6.547 0.000) 6.569 9.219 ( -5.965 -3.112 0.000) 6.728 9.287 ( 1.484 2.046 0.000) 2.528 9.470 ( -3.759 -3.941 0.000) 5.447 9.843 ( 9.513 4.290 0.000) 10.435 9.965 ( -4.120 -0.241 0.000) 4.127 10.146 ( 1.771 -1.460 0.000) 2.295 10.198 ( 1.514 6.029 0.000) 6.216 10.646 ( -16.368 -11.715 0.000) 20.129 10.791 ( 6.635 4.441 0.000) 7.984 10.984 ( -9.088 -16.102 0.000) 18.490 11.038 ( -8.934 -4.751 0.000) 10.119 11.166 ( -2.351 -15.784 0.000) 15.958 11.359 ( -5.885 -1.472 0.000) 6.066 11.463 ( -8.358 -4.945 0.000) 9.711 11.568 ( -6.002 -16.564 0.000) 17.618 11.852 ( -4.093 -2.428 0.000) 4.759 12.106 ( -9.501 0.937 0.000) 9.548 12.158 ( 0.334 -0.528 0.000) 0.625 12.234 ( -10.880 -1.349 0.000) 10.963 12.321 ( -2.367 1.974 0.000) 3.082 12.462 ( -0.686 -1.440 0.000) 1.595 12.597 ( -5.574 -8.973 0.000) 10.563 12.605 ( -0.945 -6.907 0.000) 6.972 12.794 ( -4.469 -5.337 0.000) 6.961 12.964 ( 1.541 -5.858 0.000) 6.058 13.041 ( -0.369 -2.764 0.000) 2.789 13.280 ( -1.031 -2.136 0.000) 2.372 13.366 ( -0.337 -0.901 0.000) 0.962 13.383 ( 0.995 -6.563 0.000) 6.638 13.558 ( -3.403 -4.868 0.000) 5.940 14.004 ( -3.675 5.713 0.000) 6.793 14.060 ( -4.156 6.751 0.000) 7.928 14.199 ( 10.124 -3.768 0.000) 10.802 14.332 ( 2.991 -4.050 0.000) 5.035 14.490 ( -1.399 3.545 0.000) 3.811 14.767 ( -4.139 2.209 0.000) 4.691 14.863 ( 3.028 6.199 0.000) 6.899 14.928 ( 0.957 -0.067 0.000) 0.959 15.030 ( 6.457 3.029 0.000) 7.133 15.119 ( 0.835 2.292 0.000) 2.440 15.456 ( 3.583 1.244 0.000) 3.793 15.560 ( 4.915 7.465 0.000) 8.938 15.908 ( 16.043 17.369 0.000) 23.644 16.399 ( -2.752 -3.341 0.000) 4.328 16.409 ( 0.629 2.015 0.000) 2.111 16.832 ( 1.729 0.896 0.000) 1.947 16.952 ( 2.743 6.328 0.000) 6.897 17.062 ( 3.956 -2.509 0.000) 4.685 17.502 ( -8.387 0.417 0.000) 8.397 17.602 ( -3.356 6.987 0.000) 7.751 17.686 ( 0.378 -9.540 0.000) 9.547 18.260 ( 2.762 -1.229 0.000) 3.023 18.831 ( -1.129 -3.616 0.000) 3.788 18.952 ( 1.715 1.756 0.000) 2.454 19.030 ( 9.780 10.614 0.000) 14.433 19.090 ( 0.607 9.157 0.000) 9.177 19.195 ( 9.379 4.273 0.000) 10.307 19.765 ( -0.180 -1.869 0.000) 1.878 19.836 ( -0.865 0.768 0.000) 1.157 20.835 ( -5.984 -7.611 0.000) 9.682 21.696 ( 2.844 5.044 0.000) 5.791 21.731 ( 3.188 5.301 0.000) 6.186 22.406 ( 4.296 3.630 0.000) 5.624 22.696 ( 0.624 0.722 0.000) 0.955 22.752 ( 6.711 7.116 0.000) 9.782 23.518 ( -5.472 -6.271 0.000) 8.323 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 28.414 21.454 0.000) 35.604 3.162 ( 28.994 27.757 0.000) 40.138 3.950 ( 6.336 7.210 0.000) 9.599 4.027 ( 9.667 6.922 0.000) 11.890 4.233 ( 18.857 17.707 0.000) 25.867 4.488 ( 1.529 4.371 0.000) 4.631 5.278 ( 3.597 9.365 0.000) 10.032 5.437 ( -3.148 -7.527 0.000) 8.159 5.893 ( -1.445 -11.237 0.000) 11.330 6.032 ( -8.567 -3.585 0.000) 9.287 6.166 ( 3.990 7.955 0.000) 8.900 6.375 ( 3.299 6.108 0.000) 6.942 6.684 ( -7.520 -9.187 0.000) 11.872 6.742 ( -18.556 -10.950 0.000) 21.546 7.107 ( 9.090 4.435 0.000) 10.114 7.231 ( -2.441 -8.626 0.000) 8.965 7.432 ( -0.175 7.457 0.000) 7.459 7.483 ( -9.174 -8.621 0.000) 12.589 7.763 ( 9.018 4.543 0.000) 10.098 7.868 ( 1.573 -1.536 0.000) 2.199 8.038 ( 13.868 -0.831 0.000) 13.893 8.287 ( -1.048 2.432 0.000) 2.648 8.609 ( 9.145 -1.702 0.000) 9.302 8.903 ( 0.447 14.753 0.000) 14.760 9.110 ( 0.145 0.785 0.000) 0.798 9.339 ( -7.800 2.010 0.000) 8.055 9.423 ( 5.350 4.263 0.000) 6.841 9.814 ( -9.872 -7.488 0.000) 12.390 9.962 ( 5.250 -3.985 0.000) 6.591 10.136 ( -9.586 -7.064 0.000) 11.908 10.203 ( -1.861 -0.330 0.000) 1.890 10.317 ( -4.475 2.680 0.000) 5.216 10.641 ( -5.211 -13.242 0.000) 14.231 10.762 ( -10.559 -22.444 0.000) 24.804 10.916 ( -5.559 -8.431 0.000) 10.099 11.037 ( 2.675 9.335 0.000) 9.711 11.198 ( -8.232 -1.774 0.000) 8.421 11.340 ( -4.545 -1.467 0.000) 4.776 11.486 ( 1.180 -1.429 0.000) 1.853 11.644 ( -16.273 -1.876 0.000) 16.381 11.849 ( -17.393 1.651 0.000) 17.471 12.035 ( -9.236 -6.153 0.000) 11.098 12.129 ( -3.747 -2.789 0.000) 4.671 12.356 ( 2.440 -0.441 0.000) 2.480 12.392 ( -4.483 -1.298 0.000) 4.667 12.543 ( 0.004 -1.670 0.000) 1.670 12.597 ( 4.399 -0.025 0.000) 4.399 12.696 ( 3.935 -5.064 0.000) 6.413 12.971 ( 3.440 -6.294 0.000) 7.172 13.016 ( 1.326 -2.709 0.000) 3.016 13.278 ( 2.986 -1.020 0.000) 3.155 13.306 ( 0.956 -6.059 0.000) 6.134 13.404 ( 1.819 -1.597 0.000) 2.420 13.471 ( -1.879 -3.379 0.000) 3.867 13.984 ( -5.855 4.464 0.000) 7.362 14.071 ( 0.820 3.805 0.000) 3.893 14.198 ( -6.966 -8.312 0.000) 10.846 14.324 ( 5.772 -6.277 0.000) 8.527 14.525 ( 1.858 2.760 0.000) 3.327 14.647 ( -5.939 -5.203 0.000) 7.896 14.880 ( -4.521 3.530 0.000) 5.736 15.017 ( -0.304 6.428 0.000) 6.436 15.046 ( 5.701 2.073 0.000) 6.066 15.344 ( 7.843 8.847 0.000) 11.823 15.531 ( 4.874 -0.075 0.000) 4.874 15.703 ( 3.007 8.062 0.000) 8.605 16.251 ( 6.837 2.470 0.000) 7.270 16.352 ( 3.693 1.566 0.000) 4.011 16.483 ( 3.260 8.463 0.000) 9.069 16.870 ( 2.024 0.584 0.000) 2.107 17.036 ( 2.425 2.306 0.000) 3.346 17.108 ( 3.239 -1.152 0.000) 3.438 17.322 ( -8.805 -3.840 0.000) 9.606 17.568 ( -6.107 2.075 0.000) 6.450 17.610 ( -4.903 -0.943 0.000) 4.993 18.289 ( 4.698 -5.863 0.000) 7.513 18.780 ( -1.185 -2.116 0.000) 2.425 19.024 ( 3.372 2.821 0.000) 4.396 19.192 ( 2.969 8.290 0.000) 8.805 19.299 ( 9.524 8.044 0.000) 12.466 19.392 ( 8.570 4.695 0.000) 9.772 19.734 ( -0.774 -3.435 0.000) 3.522 19.838 ( -0.391 2.306 0.000) 2.339 20.686 ( -4.539 -5.618 0.000) 7.222 21.795 ( 2.127 6.362 0.000) 6.708 21.843 ( 2.846 6.865 0.000) 7.432 22.528 ( 6.576 2.583 0.000) 7.066 22.675 ( -0.679 -1.099 0.000) 1.292 22.925 ( 5.589 4.071 0.000) 6.915 23.345 ( -7.526 -7.009 0.000) 10.284 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( 21.664 14.812 0.000) 26.243 3.823 ( 21.259 18.099 0.000) 27.920 4.145 ( 7.413 8.218 0.000) 11.067 4.251 ( 10.444 6.258 0.000) 12.176 4.449 ( -1.240 -0.904 0.000) 1.534 4.515 ( 0.386 0.958 0.000) 1.033 5.215 ( -10.486 -8.005 0.000) 13.192 5.295 ( -5.871 -6.220 0.000) 8.553 5.748 ( -3.679 -6.836 0.000) 7.763 5.995 ( 5.188 1.553 0.000) 5.416 6.212 ( -4.223 -0.431 0.000) 4.245 6.334 ( -11.128 1.196 0.000) 11.192 6.460 ( -5.021 -2.262 0.000) 5.507 6.562 ( 0.521 -4.905 0.000) 4.932 7.172 ( 4.983 -7.622 0.000) 9.106 7.215 ( -1.318 -0.563 0.000) 1.433 7.386 ( 2.872 0.492 0.000) 2.914 7.503 ( -2.244 10.571 0.000) 10.806 7.967 ( 11.791 3.256 0.000) 12.233 8.036 ( 11.346 6.298 0.000) 12.976 8.260 ( 1.111 -0.458 0.000) 1.202 8.351 ( 17.525 4.554 0.000) 18.107 8.661 ( 2.145 -8.350 0.000) 8.622 8.866 ( -6.576 0.710 0.000) 6.614 9.129 ( -11.656 -2.892 0.000) 12.010 9.237 ( -1.860 2.872 0.000) 3.422 9.487 ( -3.744 -12.743 0.000) 13.281 9.698 ( 4.773 7.856 0.000) 9.192 9.879 ( -9.986 1.624 0.000) 10.117 10.035 ( 4.304 4.862 0.000) 6.493 10.171 ( -4.900 0.969 0.000) 4.995 10.311 ( 0.778 -7.132 0.000) 7.175 10.440 ( -3.238 -4.205 0.000) 5.307 10.539 ( 0.036 -4.567 0.000) 4.567 10.793 ( -2.788 -4.254 0.000) 5.086 11.052 ( -7.987 4.828 0.000) 9.333 11.125 ( -4.778 5.176 0.000) 7.044 11.225 ( -6.447 3.410 0.000) 7.293 11.403 ( -11.805 -3.725 0.000) 12.379 11.442 ( -11.559 -4.440 0.000) 12.382 11.615 ( -2.910 4.632 0.000) 5.470 11.861 ( -6.306 -2.475 0.000) 6.774 12.030 ( -1.727 -6.296 0.000) 6.529 12.271 ( 0.029 -5.303 0.000) 5.303 12.493 ( 0.828 3.618 0.000) 3.711 12.522 ( 1.015 3.584 0.000) 3.725 12.595 ( 5.113 -10.338 0.000) 11.533 12.820 ( 6.147 -1.667 0.000) 6.369 12.929 ( -0.944 -1.754 0.000) 1.992 13.074 ( 7.961 -2.403 0.000) 8.316 13.273 ( 1.585 -5.391 0.000) 5.619 13.353 ( 5.881 -1.175 0.000) 5.997 13.409 ( 1.273 -2.399 0.000) 2.715 13.442 ( 2.326 -1.671 0.000) 2.864 13.900 ( -7.949 -9.074 0.000) 12.063 13.942 ( -10.215 1.911 0.000) 10.392 14.148 ( 3.395 2.827 0.000) 4.418 14.326 ( 3.035 -8.761 0.000) 9.272 14.519 ( -2.680 -4.457 0.000) 5.201 14.602 ( 3.702 1.594 0.000) 4.030 14.823 ( -5.665 3.025 0.000) 6.422 15.074 ( -3.326 11.798 0.000) 12.258 15.156 ( 4.297 0.674 0.000) 4.350 15.493 ( 2.495 4.712 0.000) 5.332 15.611 ( 3.637 0.719 0.000) 3.707 15.807 ( -0.254 8.433 0.000) 8.437 16.229 ( 0.055 -5.239 0.000) 5.239 16.484 ( 5.082 1.543 0.000) 5.311 16.689 ( 6.811 11.375 0.000) 13.258 16.911 ( 2.485 -0.066 0.000) 2.486 17.071 ( 1.311 -2.594 0.000) 2.906 17.122 ( -3.300 0.343 0.000) 3.318 17.181 ( -1.558 -2.229 0.000) 2.719 17.479 ( -4.553 -0.628 0.000) 4.597 17.498 ( -8.295 2.323 0.000) 8.614 18.301 ( 4.642 -7.614 0.000) 8.918 18.754 ( -0.381 -0.711 0.000) 0.807 19.096 ( 1.810 2.396 0.000) 3.002 19.328 ( 4.403 6.363 0.000) 7.738 19.484 ( 6.155 2.353 0.000) 6.590 19.547 ( 3.629 4.098 0.000) 5.474 19.679 ( -1.552 -2.409 0.000) 2.866 19.865 ( 0.913 1.778 0.000) 1.999 20.576 ( -2.829 -4.093 0.000) 4.976 21.877 ( -0.216 6.711 0.000) 6.714 21.943 ( 0.466 7.378 0.000) 7.393 22.623 ( 2.248 -2.838 0.000) 3.621 22.712 ( 6.903 3.099 0.000) 7.567 23.009 ( 2.258 -1.106 0.000) 2.514 23.148 ( -7.912 -5.187 0.000) 9.461 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.760 ( -1.199 2.077 0.000) 2.398 4.095 ( -0.857 1.484 0.000) 1.713 4.322 ( -1.867 3.234 0.000) 3.734 4.335 ( 0.276 -0.478 0.000) 0.552 4.452 ( -1.055 1.828 0.000) 2.111 4.506 ( 2.189 -3.791 0.000) 4.378 5.022 ( 0.190 -0.329 0.000) 0.379 5.170 ( 2.498 -4.327 0.000) 4.997 5.683 ( 1.048 -1.816 0.000) 2.096 6.106 ( 7.181 -12.438 0.000) 14.362 6.126 ( -3.866 6.697 0.000) 7.733 6.214 ( -7.291 12.628 0.000) 14.582 6.421 ( 1.326 -2.296 0.000) 2.652 6.547 ( 1.832 -3.174 0.000) 3.665 7.180 ( 2.013 -3.486 0.000) 4.025 7.196 ( 1.545 -2.675 0.000) 3.089 7.433 ( -0.158 0.273 0.000) 0.316 7.539 ( -4.746 8.221 0.000) 9.493 8.101 ( 0.423 -0.733 0.000) 0.847 8.220 ( 2.882 -4.992 0.000) 5.764 8.252 ( 2.052 -3.553 0.000) 4.103 8.593 ( 3.942 -6.828 0.000) 7.885 8.697 ( -1.310 2.270 0.000) 2.621 8.744 ( 0.555 -0.961 0.000) 1.110 8.922 ( -1.689 2.925 0.000) 3.378 9.204 ( 2.163 -3.746 0.000) 4.326 9.399 ( 0.838 -1.451 0.000) 1.676 9.660 ( 3.337 -5.779 0.000) 6.673 9.896 ( -4.419 7.655 0.000) 8.839 10.086 ( -2.378 4.119 0.000) 4.756 10.138 ( 0.815 -1.411 0.000) 1.629 10.302 ( -0.781 1.353 0.000) 1.562 10.504 ( -2.627 4.551 0.000) 5.254 10.505 ( -2.513 4.352 0.000) 5.025 10.777 ( 1.498 -2.595 0.000) 2.996 10.927 ( -5.797 10.041 0.000) 11.594 11.121 ( -1.539 2.665 0.000) 3.078 11.124 ( -3.769 6.527 0.000) 7.537 11.246 ( -3.538 6.127 0.000) 7.075 11.348 ( 3.592 -6.222 0.000) 7.185 11.644 ( -3.268 5.660 0.000) 6.536 11.796 ( -0.907 1.572 0.000) 1.815 11.979 ( 4.366 -7.562 0.000) 8.732 12.250 ( 2.041 -3.536 0.000) 4.083 12.495 ( -3.346 5.795 0.000) 6.691 12.560 ( 6.000 -10.393 0.000) 12.001 12.615 ( -0.105 0.182 0.000) 0.210 12.821 ( 2.157 -3.735 0.000) 4.313 12.933 ( 3.958 -6.855 0.000) 7.915 13.159 ( -1.909 3.307 0.000) 3.819 13.258 ( 3.912 -6.776 0.000) 7.824 13.390 ( 0.616 -1.066 0.000) 1.231 13.404 ( 1.430 -2.477 0.000) 2.860 13.544 ( 5.284 -9.152 0.000) 10.568 13.656 ( 1.312 -2.273 0.000) 2.625 13.898 ( -3.880 6.721 0.000) 7.760 14.210 ( -1.209 2.093 0.000) 2.417 14.288 ( 5.424 -9.395 0.000) 10.848 14.473 ( 1.401 -2.427 0.000) 2.803 14.655 ( 1.549 -2.683 0.000) 3.098 14.777 ( -3.460 5.992 0.000) 6.919 15.108 ( -7.171 12.420 0.000) 14.342 15.194 ( 0.821 -1.421 0.000) 1.641 15.535 ( -1.069 1.852 0.000) 2.138 15.645 ( 0.112 -0.194 0.000) 0.225 15.847 ( -4.496 7.787 0.000) 8.991 16.202 ( 3.207 -5.555 0.000) 6.414 16.538 ( -0.062 0.108 0.000) 0.124 16.829 ( -2.549 4.415 0.000) 5.098 16.935 ( 1.069 -1.851 0.000) 2.137 17.033 ( -1.676 2.904 0.000) 3.353 17.083 ( 4.021 -6.964 0.000) 8.041 17.185 ( -1.223 2.118 0.000) 2.446 17.427 ( -4.862 8.421 0.000) 9.724 17.434 ( 0.882 -1.527 0.000) 1.764 18.302 ( 4.487 -7.771 0.000) 8.974 18.749 ( 0.140 -0.243 0.000) 0.281 19.123 ( -0.685 1.187 0.000) 1.371 19.416 ( -0.942 1.631 0.000) 1.883 19.545 ( 0.946 -1.639 0.000) 1.893 19.566 ( -0.143 0.248 0.000) 0.287 19.670 ( -0.985 1.706 0.000) 1.970 19.886 ( -0.005 0.009 0.000) 0.010 20.529 ( 0.943 -1.634 0.000) 1.886 21.908 ( -3.269 5.661 0.000) 6.537 21.984 ( -3.472 6.013 0.000) 6.943 22.619 ( 1.628 -2.819 0.000) 3.255 22.866 ( 1.988 -3.444 0.000) 3.976 22.928 ( 1.382 -2.393 0.000) 2.764 23.077 ( -0.727 1.259 0.000) 1.454 ======================= Grid point 25 (12/48) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 17.400 30.138 0.000) 34.801 3.051 ( 20.471 35.457 0.000) 40.942 3.938 ( 4.902 8.490 0.000) 9.804 3.972 ( 5.089 8.814 0.000) 10.177 4.157 ( 14.901 25.810 0.000) 29.802 4.497 ( 3.213 5.565 0.000) 6.425 5.302 ( 6.853 11.870 0.000) 13.707 5.428 ( -3.756 -6.506 0.000) 7.513 5.813 ( -4.531 -7.848 0.000) 9.062 6.104 ( -5.320 -9.214 0.000) 10.639 6.188 ( 4.784 8.286 0.000) 9.568 6.371 ( 4.026 6.973 0.000) 8.052 6.706 ( -6.974 -12.079 0.000) 13.947 6.854 ( -9.112 -15.783 0.000) 18.224 7.054 ( 5.090 8.816 0.000) 10.179 7.225 ( -7.420 -12.852 0.000) 14.841 7.451 ( 6.435 11.146 0.000) 12.870 7.513 ( -7.818 -13.541 0.000) 15.636 7.737 ( -0.294 -0.510 0.000) 0.589 7.771 ( 1.553 2.690 0.000) 3.106 7.957 ( 2.861 4.956 0.000) 5.723 8.320 ( 0.477 0.825 0.000) 0.953 8.502 ( 1.579 2.734 0.000) 3.158 8.984 ( 10.384 17.985 0.000) 20.768 9.125 ( -2.928 -5.071 0.000) 5.856 9.348 ( -2.038 -3.530 0.000) 4.077 9.471 ( 5.356 9.276 0.000) 10.711 9.808 ( -6.414 -11.109 0.000) 12.828 9.961 ( -0.568 -0.985 0.000) 1.137 10.083 ( -1.409 -2.440 0.000) 2.817 10.265 ( -2.842 -4.922 0.000) 5.684 10.417 ( -0.870 -1.506 0.000) 1.739 10.621 ( -6.643 -11.505 0.000) 13.285 10.737 ( -13.305 -23.045 0.000) 26.610 10.918 ( -5.908 -10.233 0.000) 11.816 11.047 ( 4.799 8.312 0.000) 9.598 11.284 ( -5.810 -10.063 0.000) 11.620 11.294 ( -0.937 -1.623 0.000) 1.874 11.468 ( 1.320 2.286 0.000) 2.640 11.819 ( -1.874 -3.246 0.000) 3.748 12.053 ( -4.547 -7.876 0.000) 9.095 12.114 ( -2.466 -4.272 0.000) 4.933 12.240 ( -1.183 -2.049 0.000) 2.366 12.291 ( -4.277 -7.408 0.000) 8.554 12.391 ( -0.218 -0.378 0.000) 0.436 12.473 ( -3.947 -6.837 0.000) 7.895 12.541 ( 3.452 5.980 0.000) 6.905 12.733 ( -5.901 -10.220 0.000) 11.801 12.767 ( -1.548 -2.681 0.000) 3.095 13.010 ( -1.522 -2.636 0.000) 3.044 13.261 ( 0.013 0.023 0.000) 0.026 13.282 ( -1.515 -2.624 0.000) 3.029 13.373 ( -0.099 -0.171 0.000) 0.198 13.458 ( -2.673 -4.630 0.000) 5.346 14.065 ( 0.221 0.383 0.000) 0.442 14.108 ( -2.284 -3.956 0.000) 4.568 14.157 ( 0.480 0.831 0.000) 0.960 14.268 ( -1.772 -3.069 0.000) 3.544 14.543 ( 0.770 1.334 0.000) 1.540 14.664 ( -4.452 -7.711 0.000) 8.904 14.933 ( 0.754 1.306 0.000) 1.508 15.007 ( 3.078 5.332 0.000) 6.157 15.067 ( 2.857 4.948 0.000) 5.714 15.302 ( 6.526 11.304 0.000) 13.052 15.492 ( 1.746 3.025 0.000) 3.493 15.713 ( 4.542 7.867 0.000) 9.083 16.205 ( 7.113 12.320 0.000) 14.226 16.328 ( -2.221 -3.847 0.000) 4.442 16.499 ( 4.531 7.848 0.000) 9.062 16.855 ( 0.831 1.440 0.000) 1.663 17.021 ( -0.700 -1.213 0.000) 1.400 17.071 ( 3.112 5.390 0.000) 6.224 17.460 ( -3.254 -5.636 0.000) 6.508 17.490 ( -4.330 -7.499 0.000) 8.660 17.756 ( 3.015 5.222 0.000) 6.030 18.181 ( -3.381 -5.857 0.000) 6.763 18.777 ( -1.113 -1.927 0.000) 2.226 19.014 ( 2.429 4.207 0.000) 4.857 19.228 ( 5.217 9.036 0.000) 10.434 19.251 ( 3.713 6.431 0.000) 7.426 19.324 ( 6.056 10.489 0.000) 12.112 19.722 ( -1.452 -2.515 0.000) 2.904 19.855 ( 0.629 1.089 0.000) 1.258 20.696 ( -3.908 -6.769 0.000) 7.816 21.813 ( 3.934 6.814 0.000) 7.868 21.859 ( 4.467 7.737 0.000) 8.933 22.480 ( 2.258 3.910 0.000) 4.515 22.674 ( -0.870 -1.507 0.000) 1.740 22.895 ( 3.491 6.046 0.000) 6.982 23.374 ( -4.955 -8.582 0.000) 9.909 ======================= Grid point 26 (13/48) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 19.829 22.142 0.000) 29.723 3.690 ( 19.225 25.697 0.000) 32.093 4.122 ( 5.232 9.039 0.000) 10.444 4.159 ( 8.955 8.956 0.000) 12.665 4.427 ( 2.922 2.856 0.000) 4.086 4.547 ( -1.646 0.114 0.000) 1.650 5.221 ( -7.364 -14.167 0.000) 15.966 5.443 ( -6.854 6.703 0.000) 9.587 5.679 ( 3.131 -10.056 0.000) 10.532 5.927 ( -4.474 -7.544 0.000) 8.771 6.263 ( 0.135 -1.952 0.000) 1.957 6.472 ( -5.414 0.167 0.000) 5.417 6.512 ( -0.408 -0.887 0.000) 0.977 6.610 ( -8.725 -1.066 0.000) 8.790 7.022 ( 0.106 -10.385 0.000) 10.385 7.252 ( 0.675 5.856 0.000) 5.895 7.319 ( 1.928 -4.928 0.000) 5.292 7.608 ( 1.833 8.236 0.000) 8.437 7.844 ( 4.801 2.049 0.000) 5.220 7.870 ( 11.368 4.888 0.000) 12.374 8.177 ( 11.622 15.094 0.000) 19.050 8.289 ( -2.029 -2.228 0.000) 3.013 8.535 ( 2.468 -5.366 0.000) 5.906 8.996 ( -8.104 -2.735 0.000) 8.553 9.201 ( -3.224 -8.938 0.000) 9.502 9.283 ( 0.386 5.668 0.000) 5.681 9.450 ( -9.890 -17.887 0.000) 20.439 9.730 ( 6.105 14.542 0.000) 15.772 9.977 ( -2.489 -4.361 0.000) 5.022 10.045 ( 4.030 3.174 0.000) 5.130 10.178 ( -2.895 4.431 0.000) 5.293 10.383 ( -3.168 -10.096 0.000) 10.581 10.434 ( -5.890 5.876 0.000) 8.320 10.527 ( -0.845 -0.527 0.000) 0.996 10.768 ( -0.753 -6.516 0.000) 6.559 11.087 ( 0.779 -5.624 0.000) 5.678 11.121 ( -1.437 -6.693 0.000) 6.845 11.332 ( 0.978 3.056 0.000) 3.208 11.575 ( 0.861 8.933 0.000) 8.975 11.647 ( -17.224 1.648 0.000) 17.303 11.843 ( -10.895 -3.831 0.000) 11.549 11.946 ( -11.789 -3.266 0.000) 12.233 12.079 ( -8.329 -3.183 0.000) 8.916 12.257 ( -0.247 -6.019 0.000) 6.025 12.344 ( 2.838 -12.423 0.000) 12.743 12.461 ( 5.875 1.301 0.000) 6.017 12.532 ( -2.676 -5.705 0.000) 6.301 12.742 ( 2.770 5.392 0.000) 6.062 12.777 ( 14.303 -10.891 0.000) 17.978 12.933 ( -2.693 -4.333 0.000) 5.102 13.251 ( -1.160 -0.501 0.000) 1.264 13.278 ( 2.257 -0.033 0.000) 2.257 13.369 ( 0.758 -1.599 0.000) 1.769 13.404 ( 0.397 -2.608 0.000) 2.639 13.940 ( -8.154 -11.147 0.000) 13.811 14.080 ( 2.237 -0.876 0.000) 2.403 14.113 ( -6.121 -0.441 0.000) 6.137 14.229 ( 1.345 -3.277 0.000) 3.542 14.538 ( -3.512 -2.937 0.000) 4.578 14.568 ( 1.430 -0.323 0.000) 1.466 14.949 ( -2.971 4.421 0.000) 5.326 15.094 ( 3.547 2.365 0.000) 4.263 15.197 ( 2.477 10.741 0.000) 11.022 15.489 ( 4.987 6.134 0.000) 7.906 15.563 ( 2.973 2.936 0.000) 4.179 15.851 ( 3.602 6.666 0.000) 7.577 16.231 ( -4.670 -2.706 0.000) 5.397 16.398 ( 7.124 3.411 0.000) 7.898 16.697 ( 6.258 11.753 0.000) 13.316 16.883 ( 1.134 0.804 0.000) 1.390 17.000 ( 0.894 -3.512 0.000) 3.624 17.165 ( 2.063 4.738 0.000) 5.168 17.280 ( -9.995 -1.159 0.000) 10.062 17.423 ( 1.643 -8.556 0.000) 8.713 17.748 ( -10.572 6.753 0.000) 12.545 18.104 ( 5.674 -12.407 0.000) 13.643 18.753 ( -0.367 -0.806 0.000) 0.886 19.092 ( 1.983 3.531 0.000) 4.050 19.344 ( 1.848 7.194 0.000) 7.427 19.401 ( 6.425 3.199 0.000) 7.178 19.529 ( 5.806 8.843 0.000) 10.579 19.670 ( -1.216 -3.090 0.000) 3.320 19.875 ( 0.193 1.357 0.000) 1.370 20.579 ( -3.036 -5.204 0.000) 6.025 21.943 ( 2.274 8.723 0.000) 9.014 22.012 ( 2.813 10.450 0.000) 10.822 22.543 ( 3.011 -1.311 0.000) 3.284 22.660 ( 1.357 -0.303 0.000) 1.390 22.969 ( 1.499 0.015 0.000) 1.499 23.204 ( -5.690 -6.924 0.000) 8.962 ======================= Grid point 27 (14/48) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.745 ( 11.141 13.288 0.000) 17.340 4.092 ( 6.743 9.825 0.000) 11.916 4.267 ( 5.784 3.848 0.000) 6.947 4.404 ( -0.836 -3.850 0.000) 3.940 4.430 ( -0.625 -1.268 0.000) 1.414 4.465 ( 3.341 7.373 0.000) 8.094 4.979 ( -3.427 -11.960 0.000) 12.442 5.254 ( -12.479 0.073 0.000) 12.479 5.684 ( -0.070 0.027 0.000) 0.075 5.853 ( 6.307 -12.289 0.000) 13.813 6.205 ( -2.026 -3.104 0.000) 3.707 6.329 ( 0.619 -9.095 0.000) 9.116 6.528 ( -9.646 12.230 0.000) 15.576 6.545 ( -4.014 8.105 0.000) 9.045 7.021 ( 7.651 -7.592 0.000) 10.779 7.200 ( -0.605 -2.473 0.000) 2.546 7.428 ( 2.372 3.700 0.000) 4.395 7.695 ( -2.160 9.388 0.000) 9.633 7.975 ( 10.380 -4.457 0.000) 11.296 8.064 ( 7.359 -2.786 0.000) 7.869 8.201 ( -2.208 -5.351 0.000) 5.789 8.496 ( 2.635 -3.880 0.000) 4.690 8.595 ( 14.270 13.759 0.000) 19.823 8.816 ( -6.895 -4.080 0.000) 8.012 9.046 ( -3.615 -6.788 0.000) 7.691 9.081 ( -7.056 -10.847 0.000) 12.940 9.394 ( 1.690 0.562 0.000) 1.781 9.635 ( -8.792 -9.428 0.000) 12.891 10.029 ( 3.381 11.647 0.000) 12.128 10.160 ( -2.934 6.275 0.000) 6.927 10.235 ( -3.743 7.730 0.000) 8.589 10.319 ( -5.611 0.356 0.000) 5.622 10.475 ( 5.999 5.336 0.000) 8.029 10.549 ( 1.443 0.340 0.000) 1.482 10.804 ( 4.787 13.706 0.000) 14.518 11.044 ( 4.271 -7.657 0.000) 8.768 11.140 ( 8.046 -4.504 0.000) 9.221 11.316 ( -17.213 6.487 0.000) 18.395 11.365 ( -9.788 3.946 0.000) 10.553 11.433 ( -19.738 2.970 0.000) 19.960 11.773 ( 0.778 6.038 0.000) 6.088 11.811 ( -0.919 -3.537 0.000) 3.654 11.902 ( -7.232 -2.672 0.000) 7.710 12.211 ( 0.325 -2.387 0.000) 2.409 12.312 ( 7.762 -14.886 0.000) 16.788 12.485 ( 3.632 -7.545 0.000) 8.374 12.583 ( 8.194 -2.050 0.000) 8.446 12.755 ( 2.688 -4.495 0.000) 5.238 12.784 ( -2.850 -6.530 0.000) 7.125 13.057 ( 13.146 0.287 0.000) 13.149 13.222 ( -2.105 -0.513 0.000) 2.167 13.319 ( 3.194 -2.457 0.000) 4.030 13.368 ( 0.878 -1.635 0.000) 1.856 13.416 ( 3.225 -0.660 0.000) 3.292 13.667 ( -8.467 -11.566 0.000) 14.334 14.029 ( -4.272 2.675 0.000) 5.041 14.119 ( 4.368 -4.185 0.000) 6.049 14.215 ( 0.338 -2.372 0.000) 2.395 14.470 ( -2.299 -0.046 0.000) 2.300 14.597 ( 2.404 -1.936 0.000) 3.087 14.931 ( -5.457 7.704 0.000) 9.441 15.157 ( 2.245 -0.229 0.000) 2.257 15.316 ( -2.322 11.785 0.000) 12.012 15.568 ( -0.030 3.031 0.000) 3.032 15.634 ( 2.060 1.188 0.000) 2.378 15.964 ( 2.188 6.603 0.000) 6.956 16.120 ( -3.082 -5.588 0.000) 6.382 16.523 ( 3.410 2.676 0.000) 4.334 16.879 ( 3.215 6.548 0.000) 7.295 16.907 ( 0.729 0.757 0.000) 1.051 16.983 ( 1.712 -3.682 0.000) 4.061 17.129 ( -6.958 1.316 0.000) 7.081 17.220 ( -0.377 2.020 0.000) 2.055 17.392 ( 2.131 -3.105 0.000) 3.766 17.612 ( -9.755 5.151 0.000) 11.032 18.102 ( 7.336 -12.256 0.000) 14.284 18.745 ( -0.030 -0.233 0.000) 0.235 19.139 ( 0.490 1.707 0.000) 1.776 19.435 ( 1.660 4.413 0.000) 4.715 19.498 ( 3.108 -0.065 0.000) 3.109 19.590 ( -2.343 -0.238 0.000) 2.355 19.694 ( 2.073 4.237 0.000) 4.717 19.883 ( 0.024 -0.152 0.000) 0.154 20.505 ( -0.788 -3.039 0.000) 3.140 22.035 ( -2.284 9.388 0.000) 9.662 22.126 ( -2.493 11.366 0.000) 11.636 22.545 ( 2.208 -5.313 0.000) 5.754 22.733 ( 7.344 -1.733 0.000) 7.546 22.917 ( -2.991 -6.626 0.000) 7.270 23.104 ( -1.723 -0.197 0.000) 1.734 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 11.691 20.250 0.000) 23.383 4.082 ( 8.310 14.393 0.000) 16.619 4.233 ( 2.406 4.168 0.000) 4.812 4.374 ( -2.836 -4.913 0.000) 5.673 4.434 ( 3.991 6.913 0.000) 7.982 4.488 ( 1.063 1.841 0.000) 2.126 4.948 ( -7.176 -12.428 0.000) 14.351 5.443 ( -4.200 -7.274 0.000) 8.399 5.586 ( 0.312 0.541 0.000) 0.625 5.775 ( -3.863 -6.691 0.000) 7.727 6.179 ( -2.576 -4.462 0.000) 5.152 6.279 ( -5.680 -9.838 0.000) 11.360 6.697 ( 4.448 7.703 0.000) 8.895 6.701 ( 5.144 8.909 0.000) 10.288 6.873 ( -2.014 -3.489 0.000) 4.028 7.158 ( -3.150 -5.456 0.000) 6.300 7.434 ( 3.419 5.922 0.000) 6.838 7.721 ( 2.366 4.098 0.000) 4.732 7.912 ( 2.463 4.266 0.000) 4.926 7.946 ( 0.012 0.021 0.000) 0.024 8.201 ( -3.421 -5.926 0.000) 6.842 8.428 ( -1.529 -2.648 0.000) 3.058 8.561 ( 11.791 20.423 0.000) 23.582 8.857 ( -6.547 -11.340 0.000) 13.094 8.980 ( -5.305 -9.188 0.000) 10.609 9.155 ( -4.595 -7.958 0.000) 9.189 9.367 ( 0.780 1.352 0.000) 1.561 9.684 ( -8.591 -14.879 0.000) 17.181 10.023 ( 7.868 13.627 0.000) 15.735 10.276 ( 4.290 7.430 0.000) 8.579 10.313 ( 0.426 0.738 0.000) 0.852 10.339 ( 4.729 8.190 0.000) 9.457 10.513 ( -0.461 -0.798 0.000) 0.921 10.550 ( 1.095 1.897 0.000) 2.191 10.830 ( 10.008 17.334 0.000) 20.016 10.918 ( -5.519 -9.559 0.000) 11.038 11.001 ( -1.774 -3.072 0.000) 3.548 11.414 ( 2.725 4.720 0.000) 5.450 11.617 ( -2.595 -4.494 0.000) 5.190 11.727 ( -3.144 -5.445 0.000) 6.288 11.756 ( 2.382 4.125 0.000) 4.763 11.837 ( -5.394 -9.343 0.000) 10.789 11.994 ( -3.335 -5.777 0.000) 6.670 12.099 ( -3.363 -5.826 0.000) 6.727 12.141 ( -6.397 -11.080 0.000) 12.795 12.365 ( -2.068 -3.583 0.000) 4.137 12.570 ( 1.431 2.478 0.000) 2.861 12.588 ( -1.954 -3.385 0.000) 3.908 12.828 ( -3.499 -6.060 0.000) 6.997 12.930 ( 6.452 11.176 0.000) 12.905 13.244 ( -0.635 -1.100 0.000) 1.271 13.278 ( 0.415 0.719 0.000) 0.830 13.348 ( -0.474 -0.822 0.000) 0.949 13.387 ( 0.335 0.580 0.000) 0.670 13.687 ( -8.034 -13.915 0.000) 16.068 14.065 ( -2.223 -3.850 0.000) 4.446 14.066 ( -0.005 -0.008 0.000) 0.009 14.207 ( 0.072 0.124 0.000) 0.143 14.510 ( -0.451 -0.780 0.000) 0.901 14.552 ( -0.381 -0.660 0.000) 0.762 15.031 ( 1.718 2.976 0.000) 3.437 15.134 ( 1.192 2.065 0.000) 2.384 15.392 ( 4.992 8.646 0.000) 9.983 15.583 ( 2.032 3.519 0.000) 4.063 15.616 ( 1.206 2.088 0.000) 2.411 15.946 ( 2.207 3.823 0.000) 4.415 16.152 ( -3.144 -5.445 0.000) 6.287 16.499 ( 3.680 6.374 0.000) 7.360 16.869 ( 1.789 3.099 0.000) 3.578 16.930 ( 3.942 6.828 0.000) 7.884 16.940 ( -1.485 -2.573 0.000) 2.971 17.232 ( 0.219 0.380 0.000) 0.438 17.239 ( -3.141 -5.440 0.000) 6.282 17.320 ( 1.089 1.885 0.000) 2.177 17.836 ( -0.496 -0.858 0.000) 0.991 17.861 ( -4.863 -8.423 0.000) 9.726 18.745 ( -0.086 -0.149 0.000) 0.172 19.142 ( 0.939 1.626 0.000) 1.877 19.456 ( 2.036 3.526 0.000) 4.072 19.456 ( 1.887 3.269 0.000) 3.774 19.615 ( -1.357 -2.351 0.000) 2.715 19.691 ( 4.158 7.202 0.000) 8.316 19.883 ( -0.422 -0.731 0.000) 0.844 20.497 ( -1.812 -3.139 0.000) 3.624 22.113 ( 4.868 8.432 0.000) 9.737 22.222 ( 6.162 10.672 0.000) 12.323 22.485 ( -2.468 -4.275 0.000) 4.936 22.649 ( -0.790 -1.368 0.000) 1.580 22.907 ( -3.236 -5.606 0.000) 6.473 23.119 ( -0.998 -1.729 0.000) 1.996 ======================= Grid point 38 (16/48) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.971 ( -5.436 9.415 0.000) 10.872 4.231 ( -3.116 5.398 0.000) 6.233 4.233 ( 5.217 -9.036 0.000) 10.434 4.310 ( 0.466 -0.807 0.000) 0.932 4.353 ( 1.233 -2.136 0.000) 2.466 4.668 ( -3.552 6.153 0.000) 7.105 4.814 ( 2.709 -4.692 0.000) 5.418 5.334 ( -4.897 8.481 0.000) 9.793 5.591 ( 7.472 -12.942 0.000) 14.944 5.712 ( -0.500 0.866 0.000) 1.000 6.134 ( 1.415 -2.452 0.000) 2.831 6.172 ( 3.182 -5.512 0.000) 6.365 6.720 ( -6.555 11.354 0.000) 13.110 6.839 ( -8.102 14.033 0.000) 16.203 6.889 ( 3.659 -6.338 0.000) 7.318 7.102 ( 4.426 -7.666 0.000) 8.851 7.491 ( -1.150 1.991 0.000) 2.299 7.759 ( 6.228 -10.788 0.000) 12.457 7.870 ( -4.396 7.614 0.000) 8.792 8.010 ( 2.555 -4.426 0.000) 5.110 8.104 ( 1.597 -2.766 0.000) 3.194 8.474 ( -0.054 0.094 0.000) 0.109 8.654 ( 0.382 -0.662 0.000) 0.764 8.761 ( 5.070 -8.782 0.000) 10.141 8.987 ( -3.796 6.575 0.000) 7.593 9.064 ( -1.366 2.366 0.000) 2.732 9.395 ( 0.036 -0.062 0.000) 0.072 9.487 ( 2.890 -5.005 0.000) 5.780 10.246 ( -2.920 5.058 0.000) 5.840 10.265 ( -3.570 6.183 0.000) 7.139 10.341 ( -1.455 2.521 0.000) 2.911 10.417 ( -4.458 7.721 0.000) 8.915 10.486 ( 0.841 -1.456 0.000) 1.682 10.549 ( -2.306 3.994 0.000) 4.612 10.809 ( 7.510 -13.007 0.000) 15.019 10.953 ( 4.315 -7.474 0.000) 8.631 11.250 ( -8.056 13.954 0.000) 16.113 11.465 ( -4.187 7.253 0.000) 8.375 11.499 ( -5.790 10.028 0.000) 11.579 11.561 ( -4.954 8.580 0.000) 9.907 11.712 ( -1.043 1.807 0.000) 2.087 11.801 ( 3.369 -5.836 0.000) 6.739 11.919 ( 0.186 -0.322 0.000) 0.372 12.032 ( 9.208 -15.949 0.000) 18.416 12.053 ( 6.239 -10.806 0.000) 12.478 12.335 ( 2.002 -3.467 0.000) 4.004 12.543 ( -1.262 2.186 0.000) 2.524 12.659 ( 2.916 -5.051 0.000) 5.833 12.725 ( 1.832 -3.172 0.000) 3.663 13.100 ( -2.520 4.364 0.000) 5.040 13.211 ( 0.614 -1.064 0.000) 1.229 13.294 ( -0.043 0.074 0.000) 0.086 13.335 ( 1.213 -2.100 0.000) 2.425 13.415 ( -0.064 0.111 0.000) 0.128 13.494 ( 3.027 -5.242 0.000) 6.053 14.023 ( 0.923 -1.599 0.000) 1.847 14.069 ( 0.551 -0.954 0.000) 1.101 14.208 ( -0.330 0.571 0.000) 0.659 14.498 ( -1.277 2.211 0.000) 2.553 14.550 ( 1.436 -2.487 0.000) 2.872 15.055 ( -2.044 3.541 0.000) 4.089 15.160 ( -0.462 0.799 0.000) 0.923 15.486 ( -2.950 5.110 0.000) 5.900 15.611 ( -0.929 1.609 0.000) 1.858 15.640 ( 0.412 -0.714 0.000) 0.824 16.018 ( 0.538 -0.932 0.000) 1.077 16.054 ( 0.194 -0.336 0.000) 0.388 16.576 ( -1.174 2.034 0.000) 2.349 16.897 ( 0.644 -1.116 0.000) 1.289 16.899 ( 0.170 -0.295 0.000) 0.341 17.045 ( -2.810 4.866 0.000) 5.619 17.144 ( 0.191 -0.331 0.000) 0.382 17.222 ( 0.447 -0.774 0.000) 0.893 17.379 ( -0.384 0.666 0.000) 0.769 17.708 ( -3.246 5.622 0.000) 6.491 17.871 ( 6.175 -10.696 0.000) 12.351 18.744 ( 0.000 -0.000 0.000) 0.001 19.157 ( -0.197 0.341 0.000) 0.394 19.489 ( -0.694 1.203 0.000) 1.389 19.495 ( 0.060 -0.103 0.000) 0.119 19.586 ( -0.083 0.143 0.000) 0.165 19.779 ( -2.134 3.696 0.000) 4.267 19.860 ( 1.131 -1.960 0.000) 2.263 20.466 ( 0.569 -0.985 0.000) 1.137 22.218 ( -5.080 8.799 0.000) 10.160 22.354 ( -6.531 11.312 0.000) 13.062 22.421 ( 4.095 -7.094 0.000) 8.191 22.617 ( 5.239 -9.074 0.000) 10.478 22.838 ( 0.875 -1.516 0.000) 1.750 23.108 ( -0.120 0.208 0.000) 0.240 ======================= Grid point 133 (17/48) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 0.000 46.639) 46.639 0.882 ( 0.000 -0.000 46.639) 46.639 1.372 ( 0.000 0.000 72.169) 72.169 3.169 ( 0.000 -0.000 -28.883) 28.883 3.169 ( 0.000 0.000 -28.883) 28.883 4.541 ( 0.000 0.000 -27.507) 27.507 4.775 ( 0.000 0.000 16.158) 16.158 4.775 ( -0.000 -0.000 16.158) 16.158 5.492 ( 0.000 0.000 -5.980) 5.980 5.492 ( 0.000 0.000 -5.980) 5.980 6.447 ( 0.000 0.000 3.900) 3.900 6.647 ( 0.000 -0.000 4.997) 4.997 6.647 ( 0.000 0.000 4.997) 4.997 6.732 ( 0.000 0.000 10.822) 10.822 7.067 ( -0.000 -0.000 -5.367) 5.367 7.067 ( 0.000 0.000 -5.367) 5.367 7.241 ( 0.000 0.000 -29.109) 29.109 7.675 ( 0.000 0.000 -12.312) 12.312 8.351 ( 0.000 0.000 2.581) 2.581 8.351 ( 0.000 -0.000 2.581) 2.581 8.374 ( -0.000 -0.000 2.298) 2.298 8.374 ( -0.000 0.000 2.298) 2.298 8.997 ( 0.000 -0.000 0.887) 0.887 9.073 ( 0.000 -0.000 37.546) 37.546 9.224 ( 0.000 0.000 -3.628) 3.628 9.765 ( 0.000 -0.000 1.479) 1.479 9.765 ( 0.000 0.000 1.479) 1.479 9.858 ( -0.000 0.000 -0.737) 0.737 9.858 ( 0.000 -0.000 -0.737) 0.737 9.928 ( 0.000 -0.000 11.962) 11.962 10.006 ( 0.000 0.000 -5.350) 5.350 10.326 ( 0.000 -0.000 10.238) 10.238 10.988 ( 0.000 -0.000 -7.365) 7.365 11.234 ( 0.000 0.000 -7.699) 7.699 11.234 ( -0.000 0.000 -7.699) 7.699 11.348 ( 0.000 -0.000 -14.256) 14.256 11.348 ( 0.000 0.000 -14.256) 14.256 11.830 ( 0.000 0.000 -31.753) 31.753 12.081 ( 0.000 0.000 11.842) 11.842 12.081 ( 0.000 0.000 11.842) 11.842 12.216 ( -0.000 0.000 3.307) 3.307 12.216 ( 0.000 0.000 3.307) 3.307 12.468 ( 0.000 0.000 5.280) 5.280 12.468 ( 0.000 0.000 5.280) 5.280 12.767 ( 0.000 0.000 -0.764) 0.764 12.767 ( 0.000 0.000 -0.764) 0.764 13.073 ( 0.000 -0.000 8.455) 8.455 13.166 ( -0.000 0.000 6.108) 6.108 13.166 ( 0.000 0.000 6.108) 6.108 13.562 ( -0.000 0.000 -4.448) 4.448 13.562 ( -0.000 0.000 -4.448) 4.448 13.713 ( 0.000 0.000 -7.621) 7.621 13.827 ( 0.000 0.000 3.152) 3.152 13.827 ( -0.000 0.000 3.152) 3.152 13.957 ( -0.000 -0.000 16.740) 16.740 14.040 ( 0.000 0.000 4.540) 4.540 14.109 ( 0.000 -0.000 -3.897) 3.897 14.109 ( 0.000 -0.000 -3.897) 3.897 14.448 ( 0.000 0.000 0.798) 0.798 14.448 ( 0.000 0.000 0.798) 0.798 14.528 ( 0.000 -0.000 -1.221) 1.221 14.528 ( -0.000 -0.000 -1.221) 1.221 14.828 ( -0.000 0.000 2.582) 2.582 14.974 ( 0.000 -0.000 0.946) 0.946 14.974 ( -0.000 0.000 0.946) 0.946 15.242 ( 0.000 -0.000 -5.092) 5.092 15.242 ( 0.000 0.000 -5.092) 5.092 15.541 ( 0.000 0.000 -9.911) 9.911 16.663 ( 0.000 -0.000 4.369) 4.369 16.663 ( 0.000 0.000 4.369) 4.369 16.990 ( 0.000 -0.000 -3.972) 3.972 16.990 ( 0.000 0.000 -3.972) 3.972 17.276 ( 0.000 0.000 6.244) 6.244 17.738 ( -0.000 0.000 -5.159) 5.159 17.981 ( 0.000 0.000 0.111) 0.111 18.130 ( -0.000 0.000 -4.768) 4.768 18.535 ( 0.000 -0.000 4.988) 4.988 18.535 ( 0.000 -0.000 4.988) 4.988 18.873 ( 0.000 -0.000 -3.503) 3.503 18.873 ( -0.000 -0.000 -3.503) 3.503 19.299 ( -0.000 0.000 8.908) 8.908 19.772 ( 0.000 -0.000 -3.720) 3.720 21.551 ( -0.000 0.000 0.312) 0.312 21.551 ( -0.000 -0.000 0.312) 0.312 21.575 ( 0.000 -0.000 -0.276) 0.276 21.575 ( 0.000 -0.000 -0.276) 0.276 21.725 ( 0.000 -0.000 0.578) 0.578 21.833 ( -0.000 -0.000 -2.307) 2.307 22.813 ( 0.000 0.000 3.428) 3.428 23.043 ( 0.000 0.000 -2.372) 2.372 ======================= Grid point 134 (18/48) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 26.642 15.382 29.456) 42.592 1.218 ( 26.009 15.016 33.404) 44.919 2.018 ( 45.456 26.244 49.741) 72.313 3.247 ( 6.259 3.614 -29.466) 30.340 3.248 ( 6.991 4.036 -26.988) 28.169 4.374 ( -4.965 -2.867 -5.158) 7.712 4.838 ( 5.634 3.253 14.652) 16.032 5.165 ( 24.631 14.221 -1.784) 28.498 5.490 ( -0.055 -0.032 -5.229) 5.230 5.565 ( 6.022 3.477 -5.779) 9.042 6.391 ( -4.247 -2.452 3.890) 6.260 6.629 ( -5.591 -3.228 6.396) 9.088 6.686 ( 3.593 2.074 3.373) 5.347 6.743 ( 4.656 2.688 4.300) 6.884 7.083 ( 0.850 0.491 -2.049) 2.272 7.223 ( -0.737 -0.426 -27.641) 27.654 7.335 ( 13.011 7.512 -19.430) 24.561 7.662 ( -1.441 -0.832 -12.287) 12.399 8.203 ( -12.490 -7.211 3.265) 14.787 8.258 ( -7.849 -4.532 3.068) 9.569 8.354 ( -2.337 -1.350 -0.405) 2.729 8.355 ( -1.020 -0.589 2.799) 3.037 8.752 ( -17.103 -9.874 6.507) 20.793 9.025 ( -4.585 -2.647 32.768) 33.193 9.298 ( 2.931 1.692 -8.668) 9.305 9.496 ( -13.912 -8.032 11.462) 19.734 9.686 ( -4.887 -2.821 5.531) 7.901 9.748 ( -3.302 -1.906 4.306) 5.751 9.956 ( 2.121 1.225 -3.568) 4.328 10.019 ( 4.892 2.824 -2.651) 6.240 10.049 ( 6.114 3.530 8.404) 10.976 10.413 ( 7.546 4.357 10.827) 13.898 11.030 ( 1.813 1.047 -7.599) 7.882 11.211 ( -0.810 -0.468 -5.831) 5.905 11.222 ( -2.137 -1.234 -6.698) 7.138 11.328 ( -5.755 -3.323 -12.028) 13.742 11.371 ( 0.989 0.571 -12.258) 12.311 11.654 ( -7.113 -4.107 -22.187) 23.658 11.998 ( -7.221 -4.169 7.567) 11.260 12.037 ( -6.052 -3.494 5.409) 8.837 12.197 ( -3.917 -2.261 1.009) 4.634 12.232 ( 1.399 0.808 3.279) 3.655 12.408 ( -3.733 -2.155 8.687) 9.698 12.539 ( -2.112 -1.219 -3.967) 4.657 12.723 ( -3.645 -2.104 -0.339) 4.222 12.770 ( 1.830 1.057 -4.244) 4.741 12.953 ( -11.117 -6.419 5.767) 14.073 12.989 ( -11.371 -6.565 3.938) 13.708 13.058 ( -5.432 -3.136 6.342) 8.919 13.342 ( -13.676 -7.896 2.129) 15.934 13.456 ( -8.104 -4.679 -2.986) 9.823 13.614 ( -12.855 -7.422 6.549) 16.224 13.703 ( -5.035 -2.907 -0.665) 5.852 13.742 ( -9.372 -5.411 1.152) 10.883 13.899 ( 2.307 1.332 5.936) 6.507 13.911 ( 5.127 2.960 3.141) 6.702 14.129 ( 2.100 1.213 3.760) 4.474 14.340 ( 8.961 5.174 10.693) 14.880 14.342 ( 7.038 4.063 -4.938) 9.509 14.459 ( 0.998 0.576 1.425) 1.833 14.605 ( 7.746 4.472 -0.827) 8.982 14.784 ( 12.687 7.325 3.190) 14.993 14.962 ( -0.555 -0.320 1.172) 1.336 15.056 ( 11.102 6.410 -1.297) 12.885 15.160 ( 7.723 4.459 -6.040) 10.771 15.276 ( 1.429 0.825 -5.594) 5.833 15.501 ( -1.106 -0.638 -4.759) 4.927 15.819 ( 26.717 15.425 -27.812) 41.536 16.614 ( -3.816 -2.203 5.070) 6.718 16.725 ( 4.916 2.838 2.997) 6.419 16.979 ( -0.889 -0.513 1.979) 2.230 16.997 ( 0.716 0.413 -4.818) 4.889 17.347 ( 5.482 3.165 5.400) 8.320 17.709 ( -2.481 -1.432 -3.237) 4.322 17.923 ( -4.746 -2.740 -0.277) 5.487 18.012 ( -4.746 -2.740 -7.080) 8.953 18.630 ( 8.124 4.690 3.689) 10.080 18.687 ( 8.013 4.626 -2.188) 9.508 18.886 ( 1.170 0.675 -2.947) 3.242 18.916 ( 3.902 2.253 -3.192) 5.521 19.286 ( -0.988 -0.570 11.002) 11.061 19.764 ( -0.614 -0.354 -3.664) 3.732 20.506 ( -32.150 -18.562 37.094) 52.480 21.236 ( -16.565 -9.564 -2.784) 19.329 21.572 ( 1.886 1.089 0.311) 2.200 21.596 ( 1.901 1.098 -0.276) 2.213 22.165 ( 17.835 10.297 -1.378) 20.640 22.226 ( 7.880 4.549 -3.904) 9.901 22.813 ( 0.134 0.078 4.803) 4.805 23.387 ( 12.414 7.167 -20.321) 24.868 ======================= Grid point 135 (19/48) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 32.324 18.662 20.717) 42.688 1.887 ( 36.109 20.847 10.809) 43.073 3.082 ( 47.268 27.290 31.366) 62.951 3.409 ( 8.173 4.719 -27.561) 29.132 3.462 ( 11.922 6.883 -22.059) 26.002 4.387 ( 4.964 2.866 4.421) 7.239 5.005 ( 8.783 5.071 11.105) 15.039 5.489 ( 0.185 0.107 -3.875) 3.881 5.732 ( 24.149 13.943 -3.029) 28.049 5.747 ( 10.256 5.921 -3.328) 12.301 6.263 ( -7.360 -4.249 1.712) 8.669 6.455 ( -8.976 -5.182 6.314) 12.136 6.808 ( 7.276 4.201 0.317) 8.408 6.832 ( 0.836 0.483 -6.734) 6.803 7.105 ( 1.395 0.805 -1.536) 2.226 7.264 ( 5.761 3.326 -18.416) 19.580 7.386 ( -10.561 -6.097 -8.354) 14.782 7.670 ( 2.820 1.628 -18.490) 18.775 7.885 ( -14.577 -8.416 6.011) 17.873 7.987 ( -15.033 -8.679 6.100) 18.400 8.282 ( -4.690 -2.708 0.569) 5.445 8.321 ( -1.599 -0.923 2.170) 2.849 8.482 ( -3.263 -1.884 6.740) 7.722 8.861 ( -9.783 -5.648 20.470) 23.380 9.249 ( -4.902 -2.830 -10.519) 11.945 9.290 ( -5.348 -3.088 5.569) 8.316 9.599 ( -3.172 -1.832 7.460) 8.311 9.830 ( 8.795 5.078 6.668) 12.149 9.928 ( -2.913 -1.682 -2.642) 4.277 10.150 ( 4.632 2.674 -2.220) 5.791 10.177 ( 5.540 3.198 9.425) 11.390 10.609 ( 7.553 4.361 6.044) 10.611 10.959 ( -16.798 -9.698 -4.912) 20.009 10.994 ( -4.777 -2.758 -7.049) 8.951 11.211 ( -1.836 -1.060 -0.605) 2.205 11.269 ( -0.189 -0.109 -5.225) 5.229 11.349 ( -2.794 -1.613 -6.240) 7.025 11.552 ( -6.508 -3.757 -6.017) 9.627 11.795 ( -10.417 -6.014 -0.073) 12.028 11.855 ( -8.472 -4.891 -10.107) 14.066 11.983 ( -12.165 -7.024 -2.570) 14.280 12.152 ( -11.612 -6.704 -4.477) 14.136 12.386 ( 0.232 0.134 7.995) 7.999 12.406 ( -3.559 -2.055 9.585) 10.429 12.573 ( -9.896 -5.713 3.561) 11.969 12.739 ( -6.086 -3.513 2.691) 7.525 12.750 ( -7.360 -4.250 -0.043) 8.499 12.836 ( -0.364 -0.210 -7.916) 7.927 12.973 ( -1.347 -0.778 2.644) 3.068 13.074 ( -9.844 -5.683 -1.287) 11.439 13.327 ( -2.748 -1.587 0.560) 3.222 13.451 ( -2.910 -1.680 5.568) 6.503 13.585 ( -5.668 -3.272 0.216) 6.548 13.599 ( -5.107 -2.948 0.209) 5.901 13.917 ( 0.918 0.530 1.241) 1.632 13.971 ( 0.001 0.000 1.387) 1.387 14.257 ( 7.154 4.130 3.833) 9.107 14.412 ( -1.009 -0.583 -0.732) 1.376 14.480 ( 3.541 2.044 3.441) 5.344 14.540 ( 6.180 3.568 -2.260) 7.485 14.821 ( 7.459 4.306 -1.143) 8.688 14.891 ( 0.514 0.297 0.642) 0.875 14.983 ( 4.756 2.746 4.047) 6.822 15.185 ( -3.872 -2.235 -2.451) 5.099 15.337 ( 8.474 4.892 -4.805) 10.901 15.413 ( 9.056 5.229 -4.453) 11.366 15.671 ( 18.019 10.403 4.961) 21.390 16.178 ( 9.223 5.325 -14.879) 18.298 16.525 ( -3.678 -2.124 6.276) 7.578 16.844 ( 5.179 2.990 0.510) 6.002 16.961 ( -0.589 -0.340 7.171) 7.203 17.026 ( 1.885 1.088 -6.355) 6.718 17.451 ( 2.604 1.504 4.152) 5.126 17.616 ( -6.307 -3.642 -0.239) 7.287 17.814 ( -4.253 -2.456 -0.498) 4.936 17.983 ( 1.572 0.908 -16.797) 16.894 18.822 ( 4.582 2.646 -1.618) 5.533 18.855 ( 10.441 6.028 0.639) 12.073 18.932 ( 3.967 2.290 -0.876) 4.663 19.031 ( 5.534 3.195 -1.347) 6.531 19.279 ( 1.368 0.790 13.312) 13.406 19.753 ( -0.149 -0.086 -3.392) 3.396 20.091 ( -10.307 -5.951 22.544) 25.492 20.924 ( -11.428 -6.598 -5.248) 14.201 21.632 ( 3.382 1.952 0.334) 3.919 21.658 ( 3.574 2.063 -0.300) 4.137 22.351 ( 5.106 2.948 0.582) 5.925 22.493 ( 10.840 6.259 -4.562) 13.323 22.833 ( 2.174 1.255 8.422) 8.789 23.484 ( -1.183 -0.683 -11.665) 11.744 ======================= Grid point 136 (20/48) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 31.767 18.341 13.523) 39.095 2.690 ( 35.726 20.626 3.212) 41.378 3.619 ( 10.982 6.340 -20.138) 23.798 3.749 ( 13.844 7.993 -15.232) 22.080 3.999 ( 32.830 18.954 17.511) 41.758 4.512 ( 4.521 2.610 6.728) 8.515 5.198 ( 7.899 4.561 6.832) 11.397 5.484 ( -0.989 -0.571 -2.616) 2.855 5.995 ( 9.069 5.236 -2.215) 10.704 6.053 ( -1.850 -1.068 -4.157) 4.674 6.079 ( -6.442 -3.719 1.243) 7.542 6.349 ( 4.599 2.655 10.338) 11.622 6.774 ( -4.809 -2.776 -6.756) 8.745 6.940 ( -8.212 -4.741 -2.855) 9.903 7.074 ( -0.978 -0.565 2.271) 2.537 7.089 ( -3.639 -2.101 -9.294) 10.200 7.484 ( 10.741 6.201 -11.664) 17.026 7.570 ( -11.946 -6.897 -7.971) 15.931 7.653 ( -2.485 -1.435 12.861) 13.178 7.808 ( -0.557 -0.322 -2.728) 2.803 8.210 ( 0.379 0.219 6.421) 6.436 8.314 ( 1.289 0.744 -4.324) 4.573 8.559 ( 7.303 4.216 -1.226) 8.521 8.650 ( -8.016 -4.628 8.515) 12.577 9.176 ( -0.716 -0.413 -6.452) 6.505 9.224 ( -1.540 -0.889 -1.544) 2.355 9.546 ( -1.616 -0.933 10.763) 10.924 9.833 ( -5.986 -3.456 -2.709) 7.424 10.007 ( 5.359 3.094 2.633) 6.725 10.194 ( -2.115 -1.221 0.986) 2.634 10.292 ( 4.517 2.608 8.496) 9.969 10.456 ( -15.049 -8.689 2.215) 17.518 10.853 ( -7.091 -4.094 -2.498) 8.561 10.877 ( 5.023 2.900 1.696) 6.043 11.044 ( -10.625 -6.134 3.926) 12.882 11.200 ( -12.194 -7.040 -0.649) 14.095 11.283 ( -6.363 -3.674 -0.889) 7.401 11.305 ( -9.267 -5.350 2.438) 10.975 11.523 ( -10.283 -5.937 -6.077) 13.339 11.652 ( -10.397 -6.003 -11.226) 16.436 11.819 ( -4.072 -2.351 -2.428) 5.292 11.968 ( -0.485 -0.280 -12.248) 12.261 12.258 ( -9.983 -5.764 3.138) 11.947 12.301 ( -9.364 -5.406 6.106) 12.417 12.464 ( -2.135 -1.233 -1.042) 2.677 12.623 ( -2.084 -1.203 6.201) 6.651 12.665 ( 0.679 0.392 5.305) 5.363 12.808 ( -2.186 -1.262 -4.115) 4.827 12.922 ( -4.129 -2.384 -6.866) 8.359 13.009 ( 3.736 2.157 1.118) 4.456 13.308 ( 0.271 0.156 1.131) 1.173 13.403 ( -2.072 -1.196 0.213) 2.402 13.496 ( -3.842 -2.218 0.639) 4.482 13.501 ( -1.803 -1.041 2.146) 2.990 13.933 ( -2.821 -1.628 -0.464) 3.290 13.963 ( 3.155 1.822 -1.772) 4.052 14.332 ( -6.297 -3.636 0.753) 7.310 14.394 ( 4.453 2.571 1.983) 5.512 14.519 ( 0.884 0.510 0.088) 1.025 14.640 ( 1.410 0.814 -2.232) 2.763 14.860 ( -1.034 -0.597 1.044) 1.586 14.864 ( -1.228 -0.709 -3.382) 3.667 15.144 ( 0.645 0.372 4.830) 4.887 15.185 ( 9.912 5.723 0.461) 11.455 15.529 ( 8.606 4.968 -2.153) 10.168 15.555 ( 5.312 3.067 -0.039) 6.133 16.110 ( 18.907 10.916 2.883) 22.022 16.314 ( 3.586 2.070 -4.820) 6.355 16.470 ( -0.770 -0.445 6.991) 7.047 16.937 ( 3.083 1.780 -3.199) 4.786 16.953 ( -0.132 -0.076 7.291) 7.293 17.074 ( 2.168 1.252 -5.689) 6.216 17.444 ( -2.893 -1.670 1.345) 3.601 17.456 ( -7.100 -4.099 0.391) 8.208 17.726 ( -4.286 -2.475 1.034) 5.056 18.042 ( 2.768 1.598 -19.603) 19.862 18.899 ( 2.169 1.252 2.123) 3.283 18.969 ( 3.082 1.779 -2.214) 4.191 19.137 ( 4.831 2.789 4.632) 7.251 19.157 ( 12.482 7.206 1.228) 14.465 19.378 ( 6.821 3.938 8.327) 11.461 19.764 ( 1.160 0.670 -2.930) 3.222 19.930 ( -5.470 -3.158 13.451) 14.860 20.718 ( -7.542 -4.354 -6.770) 11.030 21.716 ( 3.992 2.305 0.427) 4.629 21.749 ( 4.478 2.585 -0.389) 5.185 22.475 ( 6.225 3.594 1.189) 7.286 22.636 ( 2.953 1.705 -4.160) 5.378 22.916 ( 4.588 2.649 7.228) 8.962 23.395 ( -6.177 -3.566 -6.273) 9.498 ======================= Grid point 137 (21/48) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( 26.568 15.339 8.518) 31.839 3.440 ( 31.123 17.969 -0.748) 35.945 3.890 ( 13.132 7.582 -11.064) 18.771 4.049 ( 12.823 7.404 -9.457) 17.570 4.472 ( 9.990 5.768 6.726) 13.353 4.539 ( -2.408 -1.390 5.216) 5.911 5.278 ( -3.036 -1.753 1.766) 3.926 5.425 ( -4.716 -2.723 -1.568) 5.667 5.854 ( -10.693 -6.174 -2.901) 12.683 5.906 ( -3.504 -2.023 -0.758) 4.117 6.220 ( 5.618 3.243 -0.731) 6.528 6.420 ( -2.146 -1.239 7.009) 7.435 6.607 ( -11.543 -6.664 7.164) 15.132 6.697 ( -0.834 -0.481 1.365) 1.670 6.997 ( -3.241 -1.871 -10.866) 11.492 7.270 ( 4.041 2.333 -0.032) 4.667 7.350 ( -1.974 -1.140 -3.395) 4.089 7.539 ( 0.718 0.415 5.494) 5.557 7.860 ( 6.923 3.997 -3.139) 8.588 7.896 ( 14.894 8.599 3.500) 17.551 8.331 ( 10.468 6.043 3.404) 12.557 8.353 ( 1.104 0.638 1.456) 1.936 8.525 ( -3.297 -1.903 -12.121) 12.705 8.718 ( 5.332 3.078 -3.259) 6.966 9.181 ( -2.779 -1.604 -4.848) 5.814 9.224 ( 3.305 1.908 -3.078) 4.903 9.564 ( 5.305 3.063 11.390) 12.933 9.629 ( -13.450 -7.765 -2.500) 15.731 9.987 ( -10.967 -6.332 3.647) 13.179 10.027 ( -2.862 -1.652 -1.698) 3.715 10.313 ( -1.372 -0.792 11.135) 11.247 10.370 ( 2.874 1.659 3.749) 5.007 10.662 ( -12.592 -7.270 0.362) 14.544 10.732 ( -20.838 -12.031 -4.263) 24.436 10.864 ( -2.727 -1.574 3.721) 4.874 10.966 ( -0.041 -0.024 0.305) 0.309 11.076 ( -8.058 -4.653 2.374) 9.603 11.208 ( -1.332 -0.769 0.552) 1.634 11.394 ( -6.356 -3.670 -7.117) 10.224 11.513 ( -3.079 -1.778 -2.917) 4.599 11.706 ( -5.313 -3.068 6.819) 9.173 11.966 ( -7.805 -4.506 0.878) 9.056 12.096 ( -0.465 -0.268 -12.594) 12.605 12.101 ( -3.423 -1.977 -0.242) 3.960 12.367 ( -5.371 -3.101 -4.715) 7.791 12.618 ( -0.083 -0.048 1.254) 1.258 12.771 ( -0.576 -0.332 4.985) 5.029 12.777 ( 7.820 4.515 1.833) 9.214 12.862 ( -1.781 -1.028 -7.007) 7.302 13.091 ( 2.582 1.491 0.795) 3.086 13.313 ( -0.047 -0.027 -1.596) 1.597 13.365 ( -1.309 -0.756 -2.307) 2.758 13.462 ( 1.443 0.833 1.909) 2.534 13.475 ( -0.946 -0.546 1.674) 1.999 13.862 ( -3.551 -2.050 -0.964) 4.212 14.049 ( 4.377 2.527 -2.717) 5.738 14.143 ( -9.936 -5.737 3.008) 11.861 14.411 ( -2.350 -1.356 -3.886) 4.739 14.578 ( 4.361 2.518 1.799) 5.347 14.606 ( -2.946 -1.701 1.862) 3.879 14.822 ( -2.255 -1.302 1.837) 3.186 14.877 ( 1.460 0.843 -4.206) 4.531 15.179 ( 1.765 1.019 3.038) 3.658 15.358 ( 5.437 3.139 -4.017) 7.454 15.664 ( 4.425 2.555 5.109) 7.226 15.700 ( 6.319 3.648 1.668) 7.485 16.348 ( 0.366 0.211 4.146) 4.168 16.476 ( 13.944 8.051 0.283) 16.104 16.501 ( 2.839 1.639 4.458) 5.533 16.959 ( 0.768 0.443 5.299) 5.373 16.977 ( 0.345 0.199 -7.400) 7.411 17.108 ( 0.915 0.528 -2.059) 2.314 17.334 ( -3.582 -2.068 -0.612) 4.181 17.345 ( -5.555 -3.207 0.350) 6.424 17.614 ( -5.574 -3.218 2.444) 6.885 18.085 ( 1.068 0.616 -20.256) 20.293 18.920 ( 0.108 0.062 6.645) 6.646 19.032 ( 2.426 1.400 -2.446) 3.719 19.273 ( 7.132 4.118 5.436) 9.868 19.413 ( 10.020 5.785 1.118) 11.624 19.529 ( 5.976 3.450 5.127) 8.597 19.800 ( 1.866 1.077 -2.962) 3.662 19.820 ( -4.678 -2.701 9.851) 11.235 20.578 ( -5.280 -3.048 -7.367) 9.563 21.799 ( 3.271 1.889 0.592) 3.824 21.845 ( 3.922 2.265 -0.544) 4.562 22.629 ( 7.643 4.413 0.661) 8.851 22.668 ( 0.521 0.301 -0.011) 0.602 23.002 ( 2.909 1.680 2.057) 3.939 23.229 ( -8.512 -4.914 -3.251) 10.352 ======================= Grid point 138 (22/48) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( 12.401 7.160 5.049) 15.184 3.993 ( 15.421 8.903 -1.466) 17.867 4.177 ( 12.198 7.042 -3.155) 14.434 4.311 ( 11.069 6.390 -5.710) 13.998 4.412 ( -8.591 -4.960 1.594) 10.048 4.517 ( -4.012 -2.316 -1.869) 4.995 5.104 ( -8.529 -4.924 2.569) 10.178 5.294 ( -5.183 -2.992 0.493) 6.005 5.674 ( -4.521 -2.610 -4.724) 7.040 5.849 ( -2.292 -1.323 -8.176) 8.594 6.319 ( 5.221 3.015 7.752) 9.820 6.350 ( -2.123 -1.226 6.885) 7.308 6.447 ( -5.442 -3.142 8.402) 10.491 6.696 ( 0.025 0.014 8.058) 8.058 6.955 ( -0.816 -0.471 -15.489) 15.518 7.197 ( -2.247 -1.298 -8.072) 8.479 7.447 ( 2.396 1.384 2.773) 3.918 7.573 ( 1.541 0.889 7.070) 7.291 8.111 ( 11.311 6.530 -4.640) 13.860 8.133 ( 4.873 2.814 6.061) 8.271 8.352 ( 0.459 0.265 7.230) 7.249 8.498 ( -0.285 -0.165 -15.322) 15.326 8.627 ( 9.775 5.644 -1.182) 11.349 8.760 ( 4.070 2.350 2.605) 5.373 9.114 ( -5.005 -2.889 4.622) 7.400 9.256 ( 0.320 0.184 2.902) 2.925 9.280 ( -13.555 -7.826 -10.034) 18.593 9.732 ( 3.681 2.125 -3.380) 5.431 9.847 ( -1.970 -1.137 6.505) 6.891 10.028 ( 7.916 4.570 -3.640) 9.839 10.178 ( -9.899 -5.715 4.385) 12.243 10.331 ( -12.721 -7.345 -3.802) 15.173 10.458 ( 1.933 1.116 1.793) 2.862 10.462 ( -1.959 -1.131 4.014) 4.607 10.861 ( 0.178 0.103 1.597) 1.610 10.951 ( -3.758 -2.170 3.963) 5.877 10.964 ( -0.005 -0.003 -5.163) 5.163 11.193 ( -7.572 -4.372 6.559) 10.930 11.236 ( 3.005 1.735 4.825) 5.943 11.436 ( -4.277 -2.469 -0.187) 4.942 11.656 ( -0.083 -0.048 5.533) 5.534 11.776 ( -4.910 -2.835 -0.850) 5.733 12.068 ( -0.434 -0.251 0.569) 0.759 12.165 ( 2.612 1.508 -13.260) 13.599 12.274 ( -2.344 -1.353 -7.256) 7.744 12.601 ( -0.924 -0.534 -7.635) 7.709 12.781 ( 0.855 0.494 10.573) 10.619 12.833 ( -0.871 -0.503 -3.005) 3.168 12.954 ( 7.002 4.042 -0.469) 8.098 13.090 ( -2.583 -1.491 -2.031) 3.609 13.316 ( 0.326 0.188 -2.241) 2.272 13.345 ( -0.467 -0.270 -3.511) 3.552 13.458 ( -0.438 -0.253 1.315) 1.409 13.545 ( 4.763 2.750 -2.053) 5.871 13.769 ( -4.624 -2.670 3.028) 6.138 13.957 ( -5.051 -2.916 6.758) 8.927 14.139 ( 3.055 1.764 -2.129) 4.120 14.344 ( -2.623 -1.514 -6.523) 7.192 14.553 ( -1.368 -0.790 3.527) 3.865 14.677 ( 4.180 2.413 1.140) 4.959 14.762 ( -3.124 -1.804 1.862) 4.060 14.901 ( 0.594 0.343 -3.911) 3.971 15.207 ( 0.691 0.399 0.654) 1.032 15.431 ( 1.429 0.825 -6.496) 6.702 15.737 ( 1.840 1.062 8.180) 8.451 15.795 ( 2.172 1.254 4.461) 5.118 16.356 ( 0.327 0.189 8.197) 8.206 16.555 ( 1.437 0.830 2.930) 3.367 16.715 ( 6.920 3.996 -2.069) 8.255 16.949 ( -2.236 -1.291 -7.525) 7.955 16.988 ( 1.462 0.844 3.756) 4.118 17.129 ( 0.921 0.532 -1.125) 1.548 17.230 ( -3.756 -2.168 0.815) 4.413 17.291 ( -0.760 -0.439 -1.361) 1.619 17.506 ( -3.283 -1.896 3.193) 4.957 18.095 ( 0.124 0.072 -20.566) 20.566 18.919 ( -0.070 -0.041 8.312) 8.313 19.070 ( 0.911 0.526 -2.909) 3.093 19.419 ( 4.867 2.810 5.115) 7.599 19.574 ( 3.995 2.307 2.375) 5.189 19.613 ( 1.116 0.644 3.741) 3.957 19.733 ( -2.411 -1.392 9.235) 9.645 19.835 ( 0.999 0.577 -4.230) 4.385 20.490 ( -2.260 -1.305 -7.353) 7.803 21.851 ( 1.267 0.732 0.738) 1.639 21.909 ( 1.606 0.927 -0.688) 1.978 22.672 ( 0.008 0.005 2.317) 2.317 22.809 ( 8.269 4.774 -0.783) 9.581 23.033 ( -8.714 -5.031 -0.876) 10.100 23.043 ( 0.878 0.507 -0.882) 1.344 ======================= Grid point 145 (23/48) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 20.435 35.394 14.474) 43.357 1.679 ( 17.591 30.469 23.619) 42.375 2.802 ( 28.324 49.058 35.232) 66.710 3.367 ( 4.668 8.085 -28.586) 30.072 3.388 ( 5.953 10.310 -23.665) 26.491 4.364 ( 1.888 3.270 2.702) 4.643 4.951 ( 4.889 8.467 11.967) 15.454 5.486 ( -0.093 -0.161 -4.206) 4.210 5.574 ( 13.242 22.935 -3.116) 26.666 5.702 ( 6.757 11.703 -3.726) 14.018 6.311 ( -3.166 -5.485 2.160) 6.691 6.513 ( -4.575 -7.924 6.777) 11.387 6.753 ( 1.786 3.093 -4.366) 5.641 6.835 ( 3.916 6.783 0.748) 7.868 7.072 ( -0.888 -1.537 -0.296) 1.800 7.224 ( 1.011 1.751 -21.998) 22.091 7.519 ( 4.542 7.866 -15.710) 18.147 7.582 ( -4.830 -8.366 -11.097) 14.713 7.935 ( -9.928 -17.196 4.218) 20.300 8.146 ( -4.972 -8.611 4.555) 10.937 8.289 ( -2.523 -4.370 -3.089) 5.916 8.364 ( 0.045 0.077 2.110) 2.112 8.467 ( -8.004 -13.863 11.045) 19.448 8.926 ( -4.552 -7.884 24.365) 26.010 9.265 ( -3.788 -6.560 -13.227) 15.243 9.329 ( -3.860 -6.686 7.329) 10.645 9.645 ( -2.161 -3.742 6.503) 7.808 9.742 ( 4.362 7.556 8.990) 12.528 9.992 ( -0.216 -0.373 -0.818) 0.925 10.088 ( 2.709 4.691 -3.890) 6.669 10.156 ( 3.765 6.521 8.269) 11.183 10.569 ( 6.342 10.984 7.906) 14.945 11.033 ( -9.457 -16.380 -5.354) 19.657 11.040 ( -0.625 -1.082 -7.162) 7.270 11.196 ( -3.835 -6.642 -7.867) 10.987 11.279 ( 0.758 1.312 -2.349) 2.795 11.360 ( -1.577 -2.731 -6.784) 7.481 11.597 ( -1.175 -2.035 -14.992) 15.175 11.836 ( -6.364 -11.022 1.032) 12.769 11.939 ( -4.150 -7.188 -1.753) 8.484 11.967 ( -10.002 -17.324 -1.739) 20.080 12.286 ( 0.530 0.918 0.845) 1.356 12.384 ( 0.014 0.024 9.869) 9.869 12.470 ( -3.103 -5.375 1.991) 6.518 12.646 ( -4.103 -7.106 0.268) 8.210 12.686 ( -5.579 -9.663 -2.252) 11.383 12.820 ( -4.844 -8.390 1.788) 9.852 12.912 ( -2.727 -4.723 4.686) 7.191 12.920 ( -0.663 -1.148 -2.094) 2.479 13.156 ( -5.751 -9.962 0.600) 11.518 13.348 ( -3.269 -5.662 -1.138) 6.636 13.470 ( -4.040 -6.997 7.564) 11.068 13.544 ( -4.392 -7.607 3.259) 9.369 13.616 ( -2.426 -4.202 -4.491) 6.612 14.016 ( 2.211 3.830 2.391) 5.027 14.052 ( 3.471 6.011 2.344) 7.326 14.134 ( -0.820 -1.420 5.997) 6.217 14.254 ( 1.986 3.440 -2.131) 4.508 14.492 ( 1.211 2.097 2.007) 3.144 14.681 ( 7.175 12.427 0.868) 14.376 14.702 ( 3.942 6.828 -2.774) 8.358 14.855 ( 1.538 2.664 3.433) 4.610 14.963 ( 0.010 0.017 2.950) 2.950 15.192 ( 0.288 0.499 -4.488) 4.525 15.324 ( 7.586 13.139 -4.679) 15.877 15.336 ( 1.623 2.812 -5.990) 6.813 15.566 ( 8.026 13.902 4.681) 16.721 16.120 ( 7.082 12.267 -18.199) 23.061 16.548 ( -2.351 -4.071 6.023) 7.641 16.812 ( 3.075 5.327 1.483) 6.327 16.977 ( 0.075 0.130 6.263) 6.264 16.991 ( -0.138 -0.238 -5.150) 5.157 17.463 ( 4.162 7.208 2.867) 8.803 17.670 ( -1.453 -2.516 -0.605) 2.967 17.803 ( -4.752 -8.230 -0.734) 9.532 17.979 ( -0.365 -0.632 -14.580) 14.599 18.791 ( 6.575 11.388 2.224) 13.337 18.794 ( 2.904 5.031 -1.710) 6.055 18.917 ( 1.312 2.272 -2.428) 3.575 18.995 ( 3.515 6.088 -2.526) 7.469 19.271 ( -0.304 -0.526 13.527) 13.541 19.755 ( -0.251 -0.435 -3.474) 3.510 20.160 ( -7.792 -13.496 26.242) 30.521 20.994 ( -7.507 -13.003 -4.661) 15.721 21.617 ( 1.999 3.462 0.317) 4.010 21.641 ( 2.040 3.533 -0.287) 4.090 22.317 ( 2.790 4.832 0.052) 5.580 22.421 ( 7.532 13.045 -3.586) 15.485 22.823 ( 0.752 1.303 7.454) 7.604 23.485 ( 0.660 1.143 -13.844) 13.907 ======================= Grid point 146 (24/48) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 25.271 25.531 15.912) 39.289 2.414 ( 27.329 32.104 5.940) 42.577 3.544 ( 7.268 9.434 -22.762) 25.689 3.627 ( 10.529 10.340 -17.818) 23.136 3.724 ( 29.389 34.973 21.569) 50.518 4.478 ( 4.455 6.024 6.530) 9.938 5.141 ( 6.923 8.978 7.497) 13.592 5.480 ( -0.243 -1.267 -2.757) 3.044 5.862 ( 9.020 5.241 -0.682) 10.454 6.012 ( 6.164 8.461 -2.286) 10.715 6.221 ( -4.082 3.515 0.810) 5.448 6.348 ( -4.093 -5.631 7.863) 10.502 6.813 ( -0.373 2.214 -10.813) 11.044 6.915 ( 2.352 0.108 0.331) 2.378 7.049 ( 0.121 -5.399 -7.599) 9.322 7.233 ( -10.870 -4.156 -5.513) 12.877 7.367 ( 4.093 -0.978 -8.865) 9.813 7.617 ( 0.567 -4.039 -4.764) 6.271 7.638 ( -6.939 -11.303 -1.146) 13.312 7.953 ( -10.521 1.830 5.330) 11.936 8.136 ( -1.539 -10.579 7.408) 13.006 8.372 ( -0.232 3.861 -0.680) 3.928 8.438 ( 7.243 0.737 -0.342) 7.289 8.737 ( -7.771 -7.021 10.273) 14.670 9.139 ( -1.732 -6.472 -9.660) 11.756 9.269 ( -0.659 1.307 -1.236) 1.915 9.588 ( -2.637 0.276 10.800) 11.121 9.909 ( 1.239 4.310 4.126) 6.094 9.969 ( 0.571 3.001 1.466) 3.388 10.147 ( 2.357 -1.647 0.592) 2.935 10.281 ( 2.927 5.864 8.397) 10.652 10.636 ( -15.033 -10.143 -0.844) 18.155 10.799 ( 5.381 1.309 1.128) 5.652 10.951 ( -7.019 -2.977 -2.524) 8.031 11.061 ( -5.510 -11.222 1.500) 12.592 11.143 ( -2.433 -15.126 -1.699) 15.414 11.333 ( -4.053 -2.629 -3.188) 5.788 11.495 ( -7.869 -4.821 -0.126) 9.229 11.536 ( -7.821 -13.297 -1.585) 15.508 11.783 ( -2.650 -0.771 -8.234) 8.684 11.843 ( -1.204 -2.340 -13.766) 14.016 12.141 ( -17.019 0.073 -4.912) 17.714 12.347 ( -7.583 -4.061 4.541) 9.727 12.397 ( -3.465 -0.531 7.942) 8.681 12.460 ( -2.785 -5.420 1.618) 6.305 12.569 ( 2.123 -11.090 -1.549) 11.397 12.672 ( -2.620 -4.819 4.906) 7.359 12.840 ( -3.542 -0.351 0.340) 3.576 12.926 ( -1.178 -3.262 -4.369) 5.578 13.007 ( -0.819 -2.487 0.863) 2.757 13.278 ( -0.434 -2.566 0.788) 2.719 13.369 ( -0.784 -7.564 1.683) 7.789 13.453 ( -0.460 -2.995 3.807) 4.866 13.535 ( -1.990 -5.272 -2.370) 6.113 13.998 ( -3.747 4.038 -0.563) 5.538 14.057 ( -6.573 5.485 -0.375) 8.569 14.230 ( 9.361 -4.872 2.266) 10.793 14.322 ( 3.361 -4.271 -1.076) 5.540 14.511 ( -1.680 3.965 2.325) 4.894 14.763 ( -3.688 5.907 -1.346) 7.093 14.810 ( 2.452 0.616 -2.917) 3.860 14.923 ( -1.004 2.335 -0.723) 2.643 15.021 ( 7.730 0.128 2.279) 8.060 15.216 ( 1.572 7.580 5.604) 9.557 15.402 ( 5.559 0.581 -4.804) 7.370 15.538 ( 6.416 9.030 -2.342) 11.322 15.950 ( 14.955 16.584 4.231) 22.729 16.294 ( 4.065 6.482 -8.304) 11.292 16.476 ( -1.800 -2.816 7.248) 7.982 16.895 ( 2.363 1.525 1.568) 3.220 16.974 ( -0.671 1.386 0.775) 1.724 17.022 ( 3.570 0.096 -1.323) 3.809 17.511 ( -6.700 0.679 1.431) 6.885 17.599 ( -5.597 3.135 -0.674) 6.451 17.697 ( 1.488 -7.067 0.705) 7.256 17.987 ( 2.661 -1.540 -19.219) 19.463 18.869 ( 2.397 1.559 1.137) 3.077 18.955 ( 1.017 3.191 -1.155) 3.542 19.044 ( 10.072 9.589 1.140) 13.953 19.130 ( 3.649 7.646 0.024) 8.472 19.303 ( 4.503 1.858 12.119) 13.061 19.754 ( 0.439 0.197 -2.723) 2.765 19.978 ( -4.696 -5.168 15.326) 16.842 20.776 ( -6.451 -8.084 -6.286) 12.103 21.700 ( 2.878 5.072 0.363) 5.843 21.728 ( 3.159 5.279 -0.329) 6.161 22.417 ( 4.404 3.792 1.193) 5.933 22.601 ( 3.876 3.986 -5.444) 7.781 22.879 ( 3.190 3.484 8.814) 10.000 23.439 ( -3.660 -4.180 -7.790) 9.568 ======================= Grid point 147 (25/48) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 26.469 20.094 10.594) 34.880 3.163 ( 27.559 27.211 1.275) 38.750 3.785 ( 9.964 10.827 -14.691) 20.793 3.910 ( 12.253 8.371 -12.136) 19.170 4.348 ( 14.695 14.361 10.872) 23.246 4.569 ( 0.251 3.160 6.069) 6.847 5.310 ( 2.099 6.429 2.823) 7.329 5.432 ( -2.302 -5.264 -0.672) 5.785 5.868 ( -3.149 -10.653 -1.036) 11.157 6.049 ( -9.118 0.570 -0.524) 9.151 6.157 ( 2.782 3.394 0.742) 4.451 6.418 ( 3.544 2.830 4.972) 6.730 6.720 ( -5.679 -4.224 1.175) 7.175 6.757 ( -12.969 -9.111 -0.085) 15.849 7.000 ( -0.565 -2.995 -9.143) 9.638 7.198 ( 6.764 7.383 2.693) 10.369 7.392 ( -4.727 -9.516 -8.565) 13.647 7.553 ( 1.528 -2.327 6.773) 7.322 7.624 ( 10.167 4.022 -7.395) 13.200 7.926 ( 0.707 9.094 5.190) 10.494 8.116 ( 8.634 -4.875 1.265) 9.996 8.406 ( -1.098 1.893 6.238) 6.611 8.542 ( 2.146 -5.520 -0.904) 5.991 8.663 ( 2.976 8.480 -13.498) 16.216 9.099 ( 2.419 -4.487 -6.299) 8.103 9.297 ( -0.875 5.440 -9.508) 10.989 9.571 ( -0.601 3.667 15.653) 16.088 9.793 ( -12.194 -3.366 1.424) 12.730 10.032 ( -0.765 -2.045 4.366) 4.882 10.136 ( -3.421 -1.961 -0.975) 4.062 10.259 ( -4.228 -4.115 7.957) 9.905 10.407 ( -3.365 1.081 6.020) 6.981 10.679 ( -5.832 -10.895 3.602) 12.872 10.779 ( -8.953 -21.273 1.989) 23.166 10.892 ( -3.486 -6.154 -1.737) 7.283 11.024 ( 0.996 3.377 -1.298) 3.753 11.216 ( -6.272 -0.855 0.393) 6.342 11.322 ( -3.240 -3.880 -0.933) 5.140 11.447 ( -7.801 4.564 -2.272) 9.319 11.656 ( -11.446 1.719 -2.017) 11.749 11.796 ( -6.477 0.326 -5.758) 8.673 11.976 ( -0.310 -0.619 -9.690) 9.714 12.095 ( -10.837 -8.182 1.930) 13.715 12.249 ( -11.034 -2.802 -0.059) 11.384 12.404 ( -2.023 -3.528 -4.139) 5.803 12.538 ( 4.869 -8.276 -0.580) 9.620 12.671 ( 4.641 -1.835 5.179) 7.192 12.791 ( -0.458 0.799 5.394) 5.472 12.869 ( -0.655 -2.772 -6.571) 7.162 13.040 ( 3.958 -1.598 1.423) 4.500 13.265 ( 2.078 -3.051 -0.740) 3.765 13.315 ( 1.694 -4.813 1.307) 5.267 13.438 ( 0.933 -2.482 2.020) 3.333 13.463 ( -0.907 -3.649 -0.462) 3.788 13.952 ( -7.094 1.013 -2.993) 7.766 14.031 ( 1.316 2.035 -3.611) 4.349 14.220 ( -5.834 -6.498 1.599) 8.878 14.309 ( 4.568 -6.914 -1.555) 8.431 14.548 ( 1.669 3.445 2.496) 4.570 14.668 ( -5.334 -3.004 2.180) 6.499 14.887 ( -2.945 4.052 -0.039) 5.009 14.919 ( 0.793 6.584 -4.092) 7.793 15.129 ( 4.877 0.494 3.206) 5.858 15.340 ( 2.324 7.328 -2.019) 7.948 15.533 ( 8.759 0.580 2.263) 9.065 15.724 ( 4.524 10.386 1.727) 11.459 16.285 ( 8.664 4.939 2.793) 10.357 16.393 ( 2.601 5.103 2.095) 6.099 16.480 ( 4.341 3.957 2.856) 6.532 16.925 ( 1.411 -0.681 2.476) 2.930 16.982 ( 0.451 -0.144 -4.011) 4.038 17.089 ( 2.696 1.817 -1.218) 3.472 17.350 ( -8.038 -3.419 2.480) 9.080 17.529 ( -7.177 2.995 -2.893) 8.298 17.639 ( -3.286 -3.467 1.567) 5.027 18.026 ( 4.261 -3.480 -18.993) 19.773 18.896 ( 1.245 -1.887 5.203) 5.673 19.013 ( 2.106 3.221 -1.338) 4.074 19.244 ( 3.843 7.416 3.867) 9.204 19.313 ( 9.234 8.641 0.994) 12.685 19.442 ( 7.871 3.028 6.208) 10.472 19.770 ( 1.169 -0.405 -0.318) 1.277 19.876 ( -3.733 -1.913 8.315) 9.313 20.619 ( -4.760 -5.685 -7.120) 10.280 21.800 ( 2.195 6.416 0.493) 6.799 21.839 ( 2.780 6.828 -0.443) 7.385 22.538 ( 6.383 2.548 1.101) 6.960 22.655 ( 1.355 0.328 -1.880) 2.341 22.966 ( 3.201 2.171 4.191) 5.703 23.302 ( -6.473 -6.034 -4.320) 9.847 ======================= Grid point 148 (26/48) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 20.155 13.899 6.514) 25.335 3.806 ( 21.114 18.558 -1.305) 28.140 4.066 ( 10.917 10.308 -6.939) 16.540 4.180 ( 11.705 6.506 -7.125) 15.169 4.482 ( -2.979 -2.661 3.164) 5.096 4.554 ( -3.477 0.028 2.881) 4.515 5.221 ( -9.353 -6.485 1.208) 11.445 5.334 ( -6.004 -3.553 2.795) 7.515 5.700 ( -4.523 -7.698 -3.355) 9.538 5.963 ( -4.541 5.188 -5.378) 8.744 6.166 ( 2.202 -8.626 0.571) 8.921 6.421 ( -2.995 2.002 5.643) 6.695 6.524 ( -6.498 -3.182 6.605) 9.796 6.672 ( 0.809 -2.328 8.379) 8.734 6.961 ( -0.797 -1.082 -11.754) 11.831 7.229 ( -3.046 -3.115 -6.517) 7.839 7.404 ( 5.532 2.872 4.596) 7.744 7.578 ( 0.346 4.021 4.565) 6.093 7.867 ( 15.862 0.103 -6.001) 16.959 8.122 ( 7.812 9.472 6.489) 13.887 8.294 ( 6.798 -2.420 -3.040) 7.830 8.372 ( 6.984 -0.512 1.755) 7.219 8.567 ( 4.199 1.002 -2.856) 5.176 8.757 ( -0.750 1.553 -7.372) 7.571 9.069 ( 0.681 -6.659 -7.336) 9.931 9.334 ( -2.250 5.196 -3.244) 6.526 9.434 ( -15.394 -11.559 3.921) 19.645 9.706 ( 3.837 5.856 4.932) 8.564 9.893 ( -7.210 -0.978 1.974) 7.539 10.065 ( -4.931 3.216 -0.202) 5.890 10.260 ( -1.682 0.877 7.634) 7.866 10.314 ( -1.052 -7.578 0.347) 7.658 10.440 ( -4.872 -3.429 0.608) 5.989 10.644 ( -2.176 0.661 7.626) 7.958 10.805 ( -1.177 -3.013 2.265) 3.949 11.045 ( -2.245 2.497 -1.788) 3.804 11.096 ( -10.584 5.084 -0.152) 11.743 11.236 ( -4.513 2.325 0.402) 5.093 11.366 ( -5.272 0.794 -1.364) 5.503 11.496 ( -12.892 -0.997 1.696) 13.042 11.659 ( -3.123 -0.581 3.892) 5.024 11.868 ( -7.324 -3.830 1.622) 8.423 12.014 ( 2.257 -4.377 -5.047) 7.052 12.101 ( -0.190 -4.151 -8.384) 9.357 12.349 ( -2.904 2.106 -8.109) 8.867 12.524 ( 3.964 -9.873 -5.679) 12.060 12.732 ( 4.522 -2.152 6.513) 8.216 12.813 ( 0.065 -1.880 0.056) 1.882 12.889 ( 5.118 1.158 -0.657) 5.288 13.079 ( 3.172 -1.988 -0.653) 3.800 13.276 ( 2.106 -3.300 -0.465) 3.942 13.326 ( 2.903 -2.281 -1.820) 4.116 13.426 ( 0.774 -2.500 1.262) 2.905 13.459 ( 4.304 -1.740 1.487) 4.875 13.801 ( -7.361 -7.940 -3.947) 11.524 14.039 ( -5.668 -0.852 4.460) 7.263 14.115 ( 3.182 0.716 -3.348) 4.674 14.281 ( 0.843 -7.892 -4.171) 8.966 14.559 ( -2.216 -2.750 4.285) 5.553 14.634 ( 2.862 2.851 3.031) 5.051 14.830 ( -5.637 2.040 0.636) 6.029 15.019 ( -1.307 11.571 -4.563) 12.507 15.187 ( 1.536 0.341 1.620) 2.258 15.420 ( 1.648 2.730 -6.683) 7.405 15.662 ( 5.287 0.570 6.301) 8.245 15.873 ( 0.520 11.003 5.439) 12.285 16.318 ( 0.660 -3.077 8.059) 8.652 16.511 ( 5.057 1.279 2.712) 5.879 16.668 ( 6.505 9.109 -1.923) 11.357 16.939 ( 1.348 -1.802 -1.112) 2.510 16.978 ( -0.014 -0.570 -3.676) 3.720 17.139 ( 0.867 2.325 -0.926) 2.649 17.208 ( -4.548 -3.904 3.499) 6.940 17.437 ( -7.002 4.234 -3.032) 8.726 17.534 ( -4.407 -3.619 2.240) 6.127 18.050 ( 3.081 -4.134 -18.745) 19.441 18.892 ( 1.198 -2.635 7.426) 7.970 19.070 ( 1.123 2.496 -2.376) 3.625 19.380 ( 4.356 6.062 4.837) 8.894 19.509 ( 6.418 3.452 2.120) 7.590 19.583 ( 4.717 2.933 3.188) 6.404 19.751 ( -1.625 -2.821 7.767) 8.421 19.838 ( -0.598 1.282 -1.888) 2.359 20.508 ( -2.867 -3.916 -7.240) 8.717 21.883 ( -0.155 6.778 0.679) 6.814 21.937 ( 0.394 7.327 -0.617) 7.363 22.638 ( 3.034 -2.293 1.525) 4.098 22.713 ( 6.529 2.706 -0.072) 7.068 23.012 ( 1.206 -1.543 0.376) 1.995 23.127 ( -7.162 -4.785 -2.110) 8.868 ======================= Grid point 149 (27/48) ======================= q-point: ( 0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.803 ( -1.149 1.990 4.496) 5.049 4.097 ( -1.021 1.768 -0.493) 2.101 4.302 ( 0.559 -0.968 -2.686) 2.909 4.330 ( -1.560 2.702 0.790) 3.218 4.422 ( -1.351 2.340 -2.658) 3.790 4.437 ( 1.650 -2.858 -6.262) 7.078 5.067 ( 0.008 -0.014 4.331) 4.331 5.228 ( 0.741 -1.283 4.964) 5.180 5.622 ( 1.025 -1.776 -4.959) 5.366 5.936 ( -4.902 8.491 -11.738) 15.294 6.153 ( 7.227 -12.518 4.806) 15.233 6.423 ( -3.041 5.267 14.332) 15.569 6.435 ( 1.080 -1.870 1.433) 2.592 6.668 ( 1.243 -2.152 9.845) 10.154 6.950 ( -0.052 0.089 -14.034) 14.034 7.193 ( -0.071 0.123 -7.076) 7.077 7.462 ( 0.014 -0.024 3.596) 3.596 7.607 ( -1.867 3.235 4.131) 5.569 8.043 ( 3.911 -6.775 -5.950) 9.828 8.247 ( -0.668 1.157 5.145) 5.316 8.266 ( 4.321 -7.485 2.039) 8.880 8.486 ( 1.395 -2.416 -11.610) 11.941 8.670 ( 0.398 -0.689 -5.961) 6.014 8.802 ( 0.578 -1.002 9.884) 9.952 9.054 ( -0.901 1.560 11.824) 11.960 9.088 ( 5.200 -9.008 -11.672) 15.634 9.366 ( -3.712 6.430 -1.992) 7.687 9.687 ( 2.872 -4.974 0.464) 5.762 9.918 ( -5.062 8.767 3.534) 10.722 10.011 ( 1.683 -2.915 -3.242) 4.674 10.197 ( -1.920 3.326 -0.341) 3.856 10.291 ( -2.408 4.171 -1.905) 5.180 10.513 ( -3.086 5.344 1.878) 6.451 10.572 ( -4.842 8.386 7.711) 12.379 10.817 ( 2.180 -3.776 4.229) 6.074 10.944 ( -4.956 8.584 -0.698) 9.936 11.095 ( -2.603 4.508 -3.171) 6.095 11.160 ( -1.780 3.082 6.662) 7.553 11.335 ( -3.647 6.317 7.455) 10.430 11.358 ( 2.989 -5.177 1.027) 6.066 11.638 ( -0.404 0.700 -2.441) 2.571 11.795 ( -2.002 3.468 1.417) 4.248 11.987 ( 4.318 -7.479 1.144) 8.712 12.107 ( 2.410 -4.174 -11.469) 12.440 12.342 ( -2.686 4.653 -9.517) 10.929 12.504 ( 5.311 -9.200 -7.704) 13.122 12.780 ( 2.102 -3.641 -1.799) 4.573 12.781 ( 0.769 -1.331 8.734) 8.868 12.949 ( 3.525 -6.106 2.119) 7.362 13.106 ( -1.691 2.929 -5.732) 6.655 13.276 ( 2.029 -3.514 0.575) 4.098 13.339 ( 0.938 -1.625 -4.283) 4.676 13.419 ( 1.502 -2.601 1.262) 3.258 13.569 ( 0.941 -1.631 -5.999) 6.288 13.609 ( 5.795 -10.038 6.899) 13.489 13.981 ( -2.683 4.646 5.994) 8.044 14.194 ( -1.287 2.228 -1.707) 3.088 14.207 ( 5.865 -10.158 -8.076) 14.241 14.524 ( 0.629 -1.089 5.119) 5.271 14.695 ( 0.964 -1.669 4.230) 4.649 14.771 ( -3.320 5.750 -0.832) 6.691 15.070 ( -7.130 12.349 -4.455) 14.939 15.196 ( 0.808 -1.399 0.407) 1.666 15.447 ( -0.388 0.671 -7.659) 7.698 15.709 ( 0.820 -1.420 7.598) 7.773 15.933 ( -5.506 9.537 7.031) 13.065 16.307 ( 2.617 -4.533 9.444) 10.798 16.564 ( -0.109 0.188 2.482) 2.491 16.780 ( -0.977 1.693 -4.717) 5.106 16.927 ( 0.663 -1.149 -4.371) 4.568 16.991 ( -0.203 0.352 -0.901) 0.988 17.131 ( 2.054 -3.558 4.483) 6.080 17.167 ( -1.592 2.757 -0.946) 3.321 17.401 ( -4.376 7.580 -2.765) 9.179 17.466 ( 1.225 -2.122 2.864) 3.769 18.054 ( 2.467 -4.273 -18.772) 19.409 18.889 ( 1.491 -2.583 7.925) 8.468 19.092 ( -0.807 1.398 -2.826) 3.255 19.463 ( -0.837 1.450 4.823) 5.105 19.576 ( 1.004 -1.739 2.739) 3.397 19.629 ( -0.678 1.175 3.788) 4.024 19.722 ( -0.157 0.271 8.314) 8.319 19.842 ( -0.079 0.136 -4.476) 4.479 20.462 ( 0.840 -1.454 -7.130) 7.325 21.916 ( -3.290 5.698 0.777) 6.625 21.978 ( -3.458 5.990 -0.720) 6.954 22.644 ( 1.661 -2.876 2.559) 4.192 22.844 ( 1.952 -3.381 -2.322) 4.543 22.940 ( 1.172 -2.030 1.271) 2.666 23.060 ( -0.536 0.928 -1.670) 1.984 ======================= Grid point 158 (28/48) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 16.227 28.106 11.886) 34.562 3.062 ( 19.776 34.253 2.284) 39.618 3.761 ( 7.465 12.929 -15.843) 21.769 3.838 ( 6.681 11.573 -13.483) 18.983 4.292 ( 12.041 20.856 12.515) 27.140 4.583 ( 2.450 4.243 6.309) 7.988 5.324 ( 5.121 8.870 2.073) 10.450 5.426 ( -2.749 -4.762 -0.425) 5.515 5.825 ( -4.369 -7.566 1.592) 8.881 6.141 ( 3.343 5.790 -4.643) 8.140 6.166 ( -6.086 -10.541 6.739) 13.913 6.391 ( 5.097 8.829 2.373) 10.467 6.741 ( -6.884 -11.923 1.787) 13.883 6.853 ( -7.017 -12.154 -0.855) 14.060 6.974 ( 4.383 7.591 -12.136) 14.971 7.253 ( -0.889 -1.539 6.616) 6.850 7.263 ( -1.363 -2.361 -11.386) 11.708 7.480 ( -1.047 -1.814 0.337) 2.121 7.648 ( 2.269 3.930 -6.173) 7.661 7.966 ( -2.046 -3.543 10.865) 11.610 8.023 ( 2.786 4.825 3.076) 6.364 8.412 ( 0.973 1.686 -4.810) 5.189 8.470 ( -2.477 -4.290 12.041) 13.020 8.704 ( 4.550 7.881 -19.247) 21.290 9.052 ( -1.719 -2.977 -7.464) 8.217 9.329 ( 2.268 3.929 -12.299) 13.109 9.602 ( 0.944 1.635 16.669) 16.776 9.915 ( -6.778 -11.739 9.070) 16.310 10.002 ( 2.169 3.757 2.959) 5.252 10.099 ( -0.552 -0.957 1.816) 2.126 10.331 ( -2.692 -4.663 6.931) 8.777 10.474 ( 0.232 0.402 4.918) 4.940 10.664 ( -5.336 -9.242 4.254) 11.488 10.744 ( -12.848 -22.254 0.785) 25.708 10.895 ( -5.241 -9.078 -1.489) 10.588 11.012 ( 1.746 3.024 -3.238) 4.762 11.213 ( -0.007 -0.012 -6.929) 6.929 11.358 ( -4.915 -8.513 6.386) 11.723 11.509 ( 2.355 4.079 3.098) 5.638 11.797 ( 0.002 0.004 -3.243) 3.243 11.835 ( -0.062 -0.107 -17.949) 17.950 12.074 ( -4.705 -8.150 -5.121) 10.714 12.249 ( -5.496 -9.520 -0.422) 11.001 12.285 ( -4.159 -7.203 -0.539) 8.335 12.380 ( -2.647 -4.585 -5.289) 7.484 12.413 ( -1.443 -2.499 3.972) 4.909 12.588 ( -2.139 -3.704 3.782) 5.710 12.827 ( -0.822 -1.424 2.867) 3.305 12.838 ( -2.826 -4.895 3.436) 6.614 12.963 ( -0.725 -1.256 -0.066) 1.451 13.258 ( 0.013 0.022 0.632) 0.632 13.268 ( -1.607 -2.784 -0.368) 3.236 13.407 ( -1.039 -1.800 2.095) 2.951 13.446 ( -2.014 -3.487 -1.514) 4.302 14.010 ( -1.339 -2.318 -4.355) 5.112 14.068 ( -3.500 -6.063 -5.130) 8.679 14.175 ( 0.361 0.626 1.869) 2.004 14.265 ( -1.499 -2.597 -0.378) 3.022 14.573 ( 1.089 1.885 3.295) 3.949 14.695 ( -2.681 -4.643 3.913) 6.638 14.900 ( 1.814 3.142 -3.709) 5.189 15.025 ( 3.453 5.981 -3.746) 7.857 15.035 ( 1.951 3.380 3.156) 5.019 15.404 ( 5.502 9.529 9.120) 14.292 15.413 ( 1.124 1.946 -7.415) 7.748 15.732 ( 6.131 10.618 1.450) 12.347 16.234 ( 6.700 11.605 2.712) 13.672 16.420 ( -1.595 -2.763 8.846) 9.403 16.442 ( 5.440 9.423 -4.354) 11.719 16.913 ( 0.448 0.776 3.234) 3.356 16.968 ( -0.712 -1.234 -5.601) 5.780 17.075 ( 2.324 4.025 1.332) 4.835 17.482 ( -4.297 -7.442 -0.702) 8.622 17.492 ( -2.516 -4.357 3.440) 6.095 17.739 ( 2.150 3.723 -1.910) 4.704 17.926 ( -2.105 -3.646 -19.431) 19.882 18.870 ( -0.590 -1.022 4.765) 4.909 19.018 ( 1.986 3.439 -0.649) 4.024 19.234 ( 5.363 9.290 0.710) 10.750 19.313 ( 6.000 10.392 -1.120) 12.052 19.362 ( 2.759 4.778 10.651) 11.995 19.758 ( 0.040 0.070 0.299) 0.310 19.899 ( -1.783 -3.088 8.097) 8.847 20.630 ( -4.014 -6.953 -6.939) 10.612 21.818 ( 3.991 6.912 0.484) 7.997 21.855 ( 4.422 7.659 -0.426) 8.854 22.492 ( 2.238 3.877 1.280) 4.656 22.642 ( 0.475 0.822 -2.824) 2.980 22.949 ( 1.826 3.163 5.187) 6.344 23.327 ( -4.193 -7.263 -4.753) 9.640 ======================= Grid point 159 (29/48) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( 18.453 20.765 8.059) 28.925 3.682 ( 18.682 25.479 -0.118) 31.595 4.022 ( 7.698 13.017 -9.322) 17.765 4.067 ( 9.939 8.484 -8.735) 15.718 4.483 ( 0.656 0.626 5.206) 5.284 4.614 ( -2.419 0.052 4.840) 5.411 5.250 ( -6.749 -11.693 2.906) 13.811 5.452 ( -3.272 6.262 0.129) 7.067 5.669 ( -2.174 -9.479 0.588) 9.743 5.966 ( -3.353 -9.529 4.544) 11.076 6.173 ( -2.270 -0.485 -8.567) 8.876 6.479 ( -6.593 -3.542 0.465) 7.499 6.585 ( 1.585 -0.503 4.311) 4.620 6.677 ( -4.559 0.324 7.140) 8.478 6.969 ( -3.369 -3.003 -5.117) 6.823 7.196 ( 0.920 -8.681 -7.774) 11.689 7.345 ( 5.591 7.154 7.642) 11.868 7.564 ( 6.664 3.494 -2.243) 7.852 7.727 ( 2.247 5.865 -7.047) 9.440 8.018 ( 8.830 1.268 5.026) 10.239 8.193 ( 5.616 9.219 -2.699) 11.127 8.360 ( -2.110 -0.639 8.268) 8.557 8.451 ( 4.751 -4.226 -1.053) 6.446 8.820 ( -2.292 3.261 -18.800) 19.218 8.991 ( -0.462 -8.047 -8.098) 11.426 9.394 ( 0.836 4.704 -9.304) 10.459 9.539 ( -13.649 -17.815 9.344) 24.310 9.703 ( 4.778 8.313 8.970) 13.130 9.981 ( -7.830 -10.737 -0.297) 13.292 10.166 ( 5.459 8.806 5.353) 11.662 10.256 ( -3.451 7.171 9.174) 12.145 10.409 ( -6.009 -4.015 2.247) 7.569 10.490 ( -4.635 1.970 4.023) 6.446 10.615 ( 2.000 -0.550 8.562) 8.810 10.773 ( 0.512 -4.563 1.916) 4.976 11.004 ( 2.412 -6.553 -6.463) 9.514 11.207 ( -3.525 -4.423 8.215) 9.974 11.297 ( 2.454 4.023 -3.323) 5.766 11.561 ( -9.900 6.016 -0.730) 11.607 11.704 ( -8.010 3.722 1.322) 8.931 11.800 ( -4.585 -2.024 -4.604) 6.806 11.921 ( -5.572 -4.691 -3.973) 8.297 12.003 ( -10.631 -1.408 -8.389) 13.615 12.147 ( -7.322 -7.419 -2.873) 10.813 12.331 ( 2.182 -10.401 -1.254) 10.701 12.354 ( 2.264 -4.005 -6.382) 7.867 12.575 ( 7.066 -8.512 -1.498) 11.164 12.777 ( 0.616 -5.187 3.756) 6.433 12.822 ( 1.835 0.435 0.444) 1.937 12.960 ( 3.820 -3.341 4.706) 6.921 13.234 ( -0.579 -0.702 -1.366) 1.641 13.276 ( 1.501 -0.160 0.846) 1.730 13.388 ( 0.822 -2.135 1.381) 2.672 13.409 ( 0.493 -1.606 -0.083) 1.682 13.848 ( -8.321 -11.130 -7.172) 15.639 14.014 ( 1.826 -2.895 -6.911) 7.712 14.141 ( -4.172 -2.119 2.001) 5.090 14.226 ( 0.357 -2.483 -0.387) 2.538 14.591 ( -2.107 0.779 5.433) 5.879 14.631 ( -0.030 -0.137 6.403) 6.405 14.944 ( -2.119 4.206 -0.960) 4.807 15.078 ( 1.503 5.699 -1.794) 6.161 15.176 ( 4.655 5.472 -3.076) 7.815 15.440 ( -0.337 3.239 -8.254) 8.873 15.581 ( 6.410 3.905 8.240) 11.147 15.927 ( 5.010 10.005 6.079) 12.734 16.332 ( -3.828 0.616 8.274) 9.138 16.428 ( 6.448 1.661 3.348) 7.453 16.649 ( 6.621 9.680 -3.557) 12.255 16.922 ( -0.723 -0.161 -0.819) 1.104 16.951 ( 1.383 -1.622 -2.667) 3.414 17.146 ( 1.480 3.300 -0.510) 3.652 17.308 ( -8.627 -1.309 2.009) 8.954 17.442 ( 1.153 -7.519 2.501) 8.007 17.696 ( -10.568 4.700 -5.938) 13.001 17.913 ( 6.252 -7.732 -14.514) 17.593 18.849 ( 0.359 -2.377 6.413) 6.849 19.078 ( 1.238 2.984 -1.892) 3.744 19.382 ( 3.481 6.386 2.516) 7.696 19.456 ( 3.890 4.812 5.670) 8.393 19.525 ( 7.042 6.831 0.096) 9.811 19.745 ( -0.793 -1.881 6.483) 6.797 19.862 ( -1.018 -0.051 0.337) 1.074 20.513 ( -3.035 -5.042 -7.008) 9.152 21.950 ( 2.322 8.910 0.726) 9.236 22.006 ( 2.770 10.301 -0.625) 10.685 22.556 ( 3.153 -0.975 1.353) 3.567 22.656 ( 1.825 -0.109 -0.565) 1.914 22.983 ( 0.519 -0.877 1.615) 1.910 23.177 ( -5.176 -6.358 -2.749) 8.647 ======================= Grid point 160 (30/48) ======================= q-point: ( 0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( 10.233 12.212 4.725) 16.619 4.090 ( 7.529 10.434 -0.541) 12.878 4.223 ( 6.822 4.536 -4.113) 9.167 4.321 ( 7.290 4.806 -6.213) 10.717 4.419 ( -4.478 -3.148 0.906) 5.548 4.524 ( -4.914 0.878 1.879) 5.334 5.036 ( -3.173 -10.208 5.867) 12.194 5.326 ( -10.439 1.700 7.094) 12.735 5.611 ( -0.458 -1.386 -6.699) 6.856 5.903 ( 6.718 -12.246 5.451) 14.993 6.098 ( -5.557 2.329 -10.298) 11.932 6.349 ( 0.912 -8.533 0.983) 8.637 6.574 ( -5.868 7.508 6.188) 11.362 6.669 ( -2.379 4.181 9.348) 10.513 6.929 ( 1.683 -2.756 -7.799) 8.441 7.160 ( 2.319 -4.859 -5.054) 7.385 7.460 ( 1.548 3.712 4.735) 6.213 7.687 ( 0.427 6.920 -0.630) 6.962 7.866 ( 10.030 -0.513 -7.207) 12.361 8.156 ( 0.477 -6.615 -2.139) 6.969 8.179 ( 4.132 -5.493 4.641) 8.294 8.388 ( 4.137 -5.229 -9.094) 11.277 8.595 ( 4.236 -0.221 -5.569) 7.000 8.800 ( 3.495 6.574 2.465) 7.843 8.901 ( 3.173 -8.703 -10.276) 13.835 9.198 ( -12.303 -6.934 12.042) 18.559 9.445 ( -0.016 2.926 1.971) 3.528 9.656 ( -6.983 -8.036 1.380) 10.735 9.970 ( 6.426 9.980 -3.723) 12.440 10.170 ( -9.051 8.826 2.671) 12.921 10.303 ( -6.698 6.372 1.767) 9.412 10.371 ( -6.045 0.085 1.350) 6.195 10.538 ( 7.379 12.262 7.093) 15.972 10.672 ( 1.887 1.385 13.204) 13.410 10.809 ( 1.937 5.843 1.586) 6.357 11.029 ( 7.827 -2.886 -0.302) 8.348 11.177 ( 3.792 -1.889 4.061) 5.869 11.270 ( -14.249 4.413 -3.349) 15.288 11.366 ( -11.903 2.115 1.813) 12.225 11.511 ( -14.142 3.144 4.161) 15.073 11.728 ( -6.009 4.390 -6.993) 10.212 11.806 ( 3.381 -4.635 0.904) 5.807 11.907 ( -5.333 -3.505 -2.280) 6.777 12.042 ( 1.909 -1.621 -11.102) 11.381 12.288 ( 6.035 -12.688 -3.957) 14.596 12.369 ( 2.728 -2.990 -5.021) 6.449 12.619 ( 9.383 -11.763 -3.352) 15.416 12.719 ( 0.516 -7.173 -2.102) 7.492 12.861 ( 0.678 0.539 6.739) 6.794 13.074 ( 10.228 0.289 -0.560) 10.248 13.204 ( -1.313 -4.196 -1.083) 4.528 13.299 ( 1.173 -0.202 -0.187) 1.205 13.382 ( 0.665 -1.796 1.231) 2.276 13.435 ( 4.350 -0.875 1.107) 4.573 13.595 ( -7.479 -10.629 -4.631) 13.796 14.028 ( 4.098 -5.530 -8.995) 11.326 14.065 ( -2.755 0.069 2.705) 3.862 14.207 ( -0.076 -1.535 -1.079) 1.878 14.548 ( -2.786 1.903 7.805) 8.503 14.662 ( 1.823 -0.223 6.748) 6.993 14.926 ( -5.793 7.790 -0.842) 9.745 15.154 ( 2.690 0.317 -0.299) 2.725 15.275 ( -2.169 9.890 -6.785) 12.188 15.453 ( -0.167 0.485 -9.928) 9.941 15.680 ( 2.626 0.764 9.341) 9.733 16.081 ( 1.773 9.453 9.160) 13.282 16.248 ( -3.253 -3.584 10.992) 12.011 16.549 ( 3.824 2.883 1.777) 5.108 16.788 ( 1.621 2.511 -6.272) 6.948 16.894 ( 0.468 -2.426 -3.210) 4.051 16.994 ( 2.479 3.070 -3.366) 5.187 17.138 ( -4.641 -0.831 4.431) 6.470 17.220 ( -1.855 2.608 0.266) 3.212 17.406 ( 2.178 -4.588 1.771) 5.378 17.567 ( -8.272 4.379 -4.690) 10.469 17.936 ( 4.891 -7.304 -13.562) 16.161 18.839 ( 1.151 -2.502 6.745) 7.285 19.112 ( 0.169 1.562 -2.852) 3.256 19.479 ( 1.804 3.837 4.047) 5.862 19.534 ( 2.226 -0.145 3.537) 4.182 19.654 ( 0.688 3.729 2.068) 4.319 19.722 ( 0.745 0.189 7.443) 7.483 19.847 ( -0.767 -0.380 -3.414) 3.520 20.441 ( -0.818 -2.769 -6.761) 7.351 22.044 ( -2.324 9.604 0.955) 9.927 22.118 ( -2.486 11.200 -0.834) 11.503 22.567 ( 2.547 -5.209 2.201) 6.202 22.722 ( 6.516 -2.548 -1.279) 7.112 22.927 ( -2.529 -5.502 1.208) 6.175 23.082 ( -1.662 -0.544 -2.248) 2.848 ======================= Grid point 170 (31/48) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( 10.721 18.570 5.092) 22.039 4.076 ( 8.292 14.362 -0.308) 16.587 4.185 ( 3.407 5.901 -5.039) 8.475 4.282 ( 4.071 7.051 -6.787) 10.599 4.440 ( -1.829 -3.168 2.391) 4.370 4.575 ( -0.272 -0.471 4.012) 4.049 5.011 ( -6.546 -11.339 6.451) 14.596 5.498 ( -3.286 -5.691 6.485) 9.233 5.565 ( 1.372 2.376 -4.959) 5.667 5.763 ( -5.511 -9.546 2.608) 11.327 6.150 ( -1.060 -1.836 -4.892) 5.332 6.295 ( -5.336 -9.241 -0.029) 10.671 6.692 ( 3.109 5.385 1.002) 6.298 6.747 ( 3.074 5.325 3.756) 7.205 6.902 ( -1.427 -2.472 2.153) 3.575 7.060 ( -2.453 -4.248 -6.809) 8.392 7.475 ( 2.887 5.001 4.676) 7.430 7.659 ( 3.827 6.629 -3.462) 8.401 7.834 ( 2.911 5.041 -6.721) 8.891 8.065 ( 0.085 0.148 5.884) 5.886 8.148 ( -3.993 -6.916 -5.293) 9.581 8.310 ( -2.770 -4.798 -8.262) 9.947 8.574 ( 2.714 4.701 -5.583) 7.787 8.769 ( -7.642 -13.236 -8.110) 17.302 8.857 ( 5.413 9.376 -2.321) 11.072 9.268 ( -4.805 -8.323 11.152) 14.722 9.450 ( 0.363 0.630 4.929) 4.982 9.697 ( -7.644 -13.240 0.708) 15.305 9.953 ( 9.008 15.602 -4.791) 18.642 10.323 ( 2.184 3.782 1.488) 4.614 10.373 ( -0.645 -1.117 3.104) 3.361 10.496 ( 6.565 11.371 12.391) 18.054 10.579 ( 1.917 3.320 6.232) 7.316 10.636 ( 1.382 2.394 11.942) 12.258 10.830 ( -5.078 -8.795 -5.887) 11.738 10.841 ( 8.170 14.151 1.363) 16.397 11.103 ( -2.157 -3.735 10.346) 11.209 11.401 ( 3.247 5.623 -1.667) 6.704 11.604 ( -2.177 -3.771 -0.422) 4.375 11.681 ( -2.913 -5.045 -5.191) 7.803 11.786 ( -0.186 -0.322 1.100) 1.161 11.802 ( -4.806 -8.324 -3.351) 10.180 11.967 ( -4.553 -7.887 -1.212) 9.187 11.990 ( -1.513 -2.621 -18.172) 18.422 12.187 ( -4.098 -7.098 -1.649) 8.360 12.238 ( -2.812 -4.870 8.589) 10.266 12.424 ( -1.668 -2.890 -13.971) 14.364 12.672 ( -3.211 -5.562 -0.233) 6.427 12.890 ( 3.712 6.429 -5.978) 9.532 12.940 ( 0.679 1.176 12.590) 12.663 13.206 ( -1.560 -2.703 -3.586) 4.753 13.292 ( 0.829 1.436 2.087) 2.665 13.363 ( -0.458 -0.793 1.247) 1.547 13.398 ( 0.225 0.390 0.509) 0.680 13.611 ( -6.991 -12.109 -5.734) 15.112 13.969 ( -0.733 -1.269 -9.727) 9.836 14.080 ( -2.110 -3.654 1.535) 4.490 14.200 ( -0.385 -0.667 -0.978) 1.244 14.612 ( -0.016 -0.028 9.795) 9.795 14.626 ( 0.522 0.903 7.650) 7.721 15.035 ( 2.084 3.609 -0.051) 4.168 15.128 ( 0.934 1.618 -0.394) 1.910 15.320 ( 4.352 7.537 -10.205) 13.413 15.472 ( 0.028 0.049 -12.152) 12.152 15.652 ( 1.659 2.874 12.175) 12.619 16.084 ( 3.752 6.499 11.000) 13.316 16.297 ( -2.258 -3.911 12.271) 13.075 16.518 ( 4.062 7.036 0.352) 8.132 16.784 ( 2.104 3.645 -4.991) 6.528 16.882 ( -1.691 -2.929 -5.665) 6.598 16.984 ( 2.585 4.477 -1.267) 5.322 17.185 ( -0.043 -0.075 0.323) 0.335 17.300 ( -0.192 -0.333 -3.037) 3.061 17.308 ( -2.675 -4.633 6.732) 8.599 17.732 ( -2.543 -4.404 -11.028) 12.144 17.785 ( -0.714 -1.237 -5.313) 5.502 18.815 ( -0.648 -1.122 5.915) 6.055 19.118 ( 0.706 1.223 -2.852) 3.182 19.479 ( 2.128 3.686 2.345) 4.860 19.517 ( 1.167 2.022 5.596) 6.064 19.668 ( 3.957 6.853 -2.328) 8.249 19.713 ( -0.686 -1.188 9.960) 10.054 19.854 ( -0.679 -1.177 -2.602) 2.935 20.435 ( -1.686 -2.920 -6.587) 7.400 22.125 ( 5.002 8.664 1.163) 10.072 22.213 ( 6.047 10.474 -0.995) 12.136 22.504 ( -2.360 -4.088 1.943) 5.104 22.640 ( -1.133 -1.963 -1.032) 2.490 22.920 ( -2.831 -4.904 1.469) 5.850 23.095 ( -1.121 -1.941 -2.484) 3.346 ======================= Grid point 171 (32/48) ======================= q-point: ( 0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.992 ( -4.712 8.161 2.449) 9.737 4.198 ( 3.231 -5.597 -1.906) 6.738 4.231 ( -2.781 4.817 -1.076) 5.666 4.314 ( 1.322 -2.290 -1.226) 2.915 4.372 ( 0.378 -0.655 2.643) 2.749 4.643 ( -3.220 5.577 -2.655) 6.966 4.888 ( 2.539 -4.397 7.669) 9.197 5.416 ( -4.553 7.886 8.758) 12.634 5.606 ( 0.098 -0.170 -10.375) 10.376 5.655 ( 6.997 -12.120 7.024) 15.659 6.125 ( -0.634 1.097 -2.878) 3.145 6.199 ( 3.279 -5.680 1.208) 6.669 6.729 ( -4.675 8.097 -0.293) 9.354 6.840 ( -6.017 10.422 2.705) 12.334 6.860 ( 2.356 -4.080 -3.954) 6.151 7.040 ( 4.268 -7.393 -3.726) 9.314 7.523 ( -1.175 2.035 3.735) 4.413 7.804 ( 2.324 -4.025 2.904) 5.480 7.842 ( -4.167 7.218 -2.696) 8.759 8.007 ( 5.074 -8.788 1.835) 10.313 8.034 ( 2.306 -3.994 -6.270) 7.784 8.376 ( -1.249 2.164 -10.779) 11.065 8.497 ( 1.728 -2.994 -15.466) 15.848 8.613 ( 6.854 -11.872 -13.116) 18.972 9.085 ( -4.793 8.303 10.331) 14.094 9.170 ( -1.251 2.167 11.341) 11.614 9.458 ( 0.071 -0.123 5.943) 5.944 9.532 ( 2.415 -4.183 3.859) 6.182 10.186 ( -4.759 8.242 -4.961) 10.733 10.316 ( -1.139 1.972 1.634) 2.803 10.424 ( -3.389 5.870 7.308) 9.968 10.434 ( -5.310 9.197 -6.396) 12.397 10.640 ( -1.845 3.196 14.137) 14.611 10.702 ( -0.206 0.356 20.594) 20.598 10.750 ( 7.087 -12.274 -1.615) 14.265 10.992 ( 4.345 -7.525 4.821) 9.937 11.237 ( -6.323 10.952 -1.567) 12.743 11.450 ( -7.113 12.320 -3.464) 14.642 11.476 ( -4.489 7.776 0.912) 9.025 11.587 ( -2.023 3.504 1.272) 4.242 11.707 ( 0.509 -0.882 0.068) 1.020 11.743 ( 1.899 -3.289 -6.656) 7.663 11.873 ( 5.063 -8.770 -1.078) 10.184 11.969 ( 0.620 -1.074 -21.900) 21.935 12.091 ( 3.195 -5.534 1.011) 6.470 12.215 ( 7.744 -13.413 8.927) 17.876 12.443 ( -0.218 0.378 -11.823) 11.831 12.590 ( 3.856 -6.678 -4.320) 8.839 12.930 ( -3.231 5.597 8.246) 10.476 13.054 ( 1.587 -2.749 1.501) 3.512 13.127 ( 1.629 -2.822 -9.310) 9.864 13.313 ( -0.680 1.178 2.122) 2.521 13.352 ( 0.900 -1.560 1.564) 2.385 13.421 ( 0.539 -0.933 0.446) 1.166 13.456 ( 1.699 -2.942 -2.598) 4.277 13.960 ( 0.874 -1.513 -10.922) 11.061 14.040 ( 0.911 -1.579 1.805) 2.565 14.193 ( 0.135 -0.234 -1.768) 1.788 14.603 ( -1.631 2.825 10.208) 10.716 14.644 ( 0.750 -1.298 9.430) 9.548 15.063 ( -2.459 4.258 0.577) 4.951 15.152 ( -0.329 0.570 -0.811) 1.044 15.427 ( -2.338 4.050 -12.688) 13.522 15.442 ( 0.237 -0.411 -13.501) 13.510 15.680 ( 0.346 -0.599 13.744) 13.761 16.184 ( -0.135 0.234 13.217) 13.220 16.215 ( -0.728 1.261 12.745) 12.827 16.614 ( -1.636 2.833 2.038) 3.854 16.802 ( -0.395 0.684 -7.514) 7.555 16.847 ( 1.449 -2.510 -4.695) 5.518 17.062 ( -1.145 1.984 -11.092) 11.327 17.155 ( -1.890 3.274 8.874) 9.645 17.242 ( 0.740 -1.282 4.687) 4.915 17.325 ( 1.649 -2.856 -4.026) 5.204 17.658 ( -3.028 5.245 -5.174) 7.966 17.791 ( 4.132 -7.157 -7.442) 11.121 18.805 ( 0.526 -0.912 5.520) 5.619 19.129 ( -0.189 0.328 -3.196) 3.218 19.525 ( -0.511 0.886 3.764) 3.901 19.526 ( 0.057 -0.098 3.044) 3.046 19.699 ( -0.561 0.972 10.542) 10.602 19.757 ( -1.432 2.480 -1.550) 3.257 19.825 ( 0.968 -1.677 -3.604) 4.092 20.406 ( 0.496 -0.859 -6.334) 6.411 22.232 ( -5.233 9.064 1.455) 10.567 22.343 ( -6.399 11.083 -1.245) 12.857 22.441 ( 4.207 -7.287 2.064) 8.663 22.600 ( 5.132 -8.888 -1.818) 10.423 22.862 ( 0.773 -1.339 2.514) 2.952 23.080 ( -0.033 0.058 -2.802) 2.803 ======================= Grid point 266 (33/48) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 0.000 0.000 44.119) 44.119 1.734 ( 0.000 0.000 44.119) 44.119 2.518 ( -0.000 -0.000 -39.220) 39.220 2.518 ( 0.000 -0.000 -39.220) 39.220 2.671 ( -0.000 0.000 65.842) 65.842 3.787 ( -0.000 -0.000 -51.794) 51.794 5.080 ( 0.000 0.000 15.344) 15.344 5.080 ( 0.000 0.000 15.344) 15.344 5.330 ( 0.000 0.000 -11.157) 11.157 5.330 ( 0.000 0.000 -11.157) 11.157 6.563 ( 0.000 0.000 8.850) 8.850 6.775 ( 0.000 -0.000 8.176) 8.176 6.775 ( -0.000 0.000 8.176) 8.176 6.801 ( 0.000 0.000 -17.445) 17.445 6.934 ( 0.000 0.000 -8.352) 8.352 6.934 ( 0.000 0.000 -8.352) 8.352 7.011 ( 0.000 0.000 18.097) 18.097 7.370 ( 0.000 0.000 -19.093) 19.093 8.400 ( -0.000 -0.000 2.049) 2.049 8.400 ( 0.000 0.000 2.049) 2.049 8.411 ( -0.000 0.000 0.991) 0.991 8.411 ( 0.000 -0.000 0.991) 0.991 9.044 ( 0.000 0.000 4.058) 4.058 9.136 ( 0.000 -0.000 -5.327) 5.327 9.619 ( -0.000 0.000 18.628) 18.628 9.801 ( 0.000 0.000 2.144) 2.144 9.801 ( -0.000 0.000 2.144) 2.144 9.837 ( 0.000 -0.000 -1.563) 1.563 9.837 ( 0.000 -0.000 -1.563) 1.563 9.864 ( 0.000 0.000 -9.731) 9.731 10.375 ( 0.000 0.000 35.948) 35.948 10.558 ( 0.000 -0.000 13.514) 13.514 10.802 ( 0.000 -0.000 -12.015) 12.015 11.113 ( -0.000 0.000 -3.565) 3.565 11.113 ( -0.000 0.000 -3.565) 3.565 11.127 ( -0.000 0.000 -41.129) 41.129 11.140 ( 0.000 0.000 -6.762) 6.762 11.140 ( 0.000 0.000 -6.762) 6.762 12.227 ( 0.000 0.000 3.981) 3.981 12.227 ( 0.000 0.000 3.981) 3.981 12.256 ( 0.000 -0.000 0.539) 0.539 12.256 ( -0.000 0.000 0.539) 0.539 12.608 ( 0.000 0.000 8.252) 8.252 12.608 ( 0.000 0.000 8.252) 8.252 12.727 ( -0.000 -0.000 -4.047) 4.047 12.727 ( -0.000 0.000 -4.047) 4.047 13.279 ( 0.000 -0.000 12.770) 12.770 13.310 ( 0.000 0.000 8.436) 8.436 13.310 ( 0.000 -0.000 8.436) 8.436 13.456 ( -0.000 0.000 -6.842) 6.842 13.456 ( 0.000 0.000 -6.842) 6.842 13.521 ( 0.000 0.000 -12.313) 12.313 13.903 ( -0.000 0.000 5.002) 5.002 13.903 ( 0.000 0.000 5.002) 5.002 14.011 ( -0.000 0.000 -6.097) 6.097 14.011 ( 0.000 0.000 -6.097) 6.097 14.141 ( 0.000 0.000 5.218) 5.218 14.174 ( 0.000 -0.000 3.934) 3.934 14.469 ( 0.000 -0.000 1.406) 1.406 14.469 ( 0.000 0.000 1.406) 1.406 14.499 ( 0.000 0.000 -1.676) 1.676 14.499 ( 0.000 0.000 -1.676) 1.676 14.975 ( 0.000 -0.000 13.909) 13.909 15.020 ( -0.000 0.000 4.184) 4.184 15.020 ( 0.000 0.000 4.184) 4.184 15.126 ( 0.000 0.000 -6.637) 6.637 15.126 ( 0.000 0.000 -6.637) 6.637 15.284 ( 0.000 -0.000 -16.715) 16.715 16.769 ( 0.000 0.000 6.497) 6.497 16.769 ( 0.000 0.000 6.497) 6.497 16.891 ( 0.000 0.000 -6.244) 6.244 16.891 ( 0.000 -0.000 -6.244) 6.244 17.428 ( 0.000 0.000 9.427) 9.427 17.604 ( 0.000 -0.000 -8.774) 8.774 17.993 ( 0.000 0.000 1.440) 1.440 18.042 ( 0.000 0.000 -3.918) 3.918 18.653 ( 0.000 -0.000 7.067) 7.067 18.653 ( 0.000 -0.000 7.067) 7.067 18.780 ( 0.000 0.000 -6.196) 6.196 18.780 ( 0.000 0.000 -6.196) 6.196 19.491 ( -0.000 0.000 10.522) 10.522 19.665 ( 0.000 -0.000 -7.703) 7.703 21.559 ( -0.000 0.000 0.486) 0.486 21.559 ( 0.000 -0.000 0.486) 0.486 21.568 ( 0.000 0.000 -0.464) 0.464 21.568 ( 0.000 0.000 -0.464) 0.464 21.744 ( 0.000 0.000 1.568) 1.568 21.784 ( 0.000 0.000 -2.593) 2.593 22.894 ( 0.000 0.000 4.794) 4.794 22.980 ( 0.000 0.000 -4.187) 4.187 ======================= Grid point 267 (34/48) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 11.593 6.693 40.531) 42.685 1.919 ( 15.822 9.135 39.298) 43.337 2.598 ( 7.100 4.099 -38.455) 39.319 2.638 ( 10.518 6.073 -36.613) 38.575 3.023 ( 28.251 16.311 54.222) 63.279 3.935 ( 12.644 7.300 -39.973) 42.556 5.118 ( 3.382 1.952 14.083) 14.614 5.248 ( 14.401 8.314 9.089) 18.951 5.346 ( 1.550 0.895 -10.018) 10.176 5.427 ( 8.457 4.882 -8.917) 13.224 6.492 ( -5.935 -3.427 7.266) 9.988 6.660 ( -7.045 -4.068 -8.229) 11.571 6.768 ( -0.043 -0.025 4.753) 4.754 6.811 ( -5.907 -3.410 1.735) 7.038 6.940 ( 8.557 4.940 0.029) 9.881 7.066 ( 9.738 5.622 -10.844) 15.622 7.111 ( 4.088 2.360 8.628) 9.835 7.378 ( -0.141 -0.081 -16.779) 16.779 8.269 ( -10.654 -6.151 3.335) 12.747 8.304 ( -7.104 -4.102 0.551) 8.222 8.348 ( -6.121 -3.534 0.436) 7.081 8.368 ( -3.395 -1.960 -0.656) 3.974 8.912 ( -10.382 -5.994 10.056) 15.648 9.110 ( -4.236 -2.445 -10.713) 11.777 9.512 ( -9.158 -5.287 14.782) 18.175 9.609 ( -11.672 -6.739 1.552) 13.566 9.792 ( -0.868 -0.501 5.787) 5.873 9.829 ( 1.969 1.137 4.308) 4.871 9.882 ( 2.346 1.354 -4.024) 4.851 9.936 ( 4.046 2.336 -6.151) 7.724 10.403 ( 2.152 1.242 29.946) 30.049 10.635 ( 5.627 3.249 12.134) 13.764 10.853 ( 3.001 1.733 -10.711) 11.258 11.020 ( -8.020 -4.630 -27.382) 28.905 11.118 ( 1.049 0.605 -2.561) 2.833 11.136 ( 1.860 1.074 -3.984) 4.526 11.181 ( 2.990 1.726 -6.675) 7.515 11.193 ( 3.545 2.047 -13.256) 13.874 12.115 ( -9.700 -5.601 4.804) 12.188 12.134 ( -9.108 -5.259 3.576) 11.109 12.193 ( -6.797 -3.924 -1.089) 7.924 12.207 ( -4.531 -2.616 -3.440) 6.261 12.586 ( -2.182 -1.260 8.574) 8.936 12.596 ( -0.694 -0.401 6.501) 6.550 12.695 ( -1.708 -0.986 -3.020) 3.607 12.707 ( -1.974 -1.140 -3.999) 4.603 13.079 ( -14.135 -8.161 6.247) 17.477 13.081 ( -13.864 -8.004 4.891) 16.739 13.181 ( -9.640 -5.565 4.794) 12.119 13.283 ( -12.781 -7.379 -6.344) 16.064 13.421 ( -2.610 -1.507 1.576) 3.401 13.534 ( -1.284 -0.741 -8.075) 8.210 13.760 ( -11.851 -6.842 1.832) 13.806 13.764 ( -10.928 -6.310 0.872) 12.649 13.984 ( 3.544 2.046 4.171) 5.843 14.013 ( -1.389 -0.802 3.626) 3.964 14.135 ( 7.959 4.595 0.572) 9.208 14.226 ( 6.448 3.723 -6.885) 10.141 14.496 ( 1.924 1.111 2.456) 3.311 14.536 ( 1.810 1.045 -0.246) 2.104 14.690 ( 8.449 4.878 15.972) 18.716 14.857 ( 16.465 9.506 3.079) 19.260 14.990 ( 0.452 0.261 -6.271) 6.293 14.993 ( 4.119 2.378 -1.248) 4.917 15.057 ( 4.395 2.538 -0.526) 5.102 15.151 ( 2.247 1.297 -6.911) 7.382 15.415 ( 12.098 6.985 -2.049) 14.119 15.488 ( 23.233 13.413 -10.001) 28.630 16.736 ( -2.577 -1.488 7.522) 8.089 16.808 ( 3.065 1.769 5.546) 6.579 16.880 ( -0.707 -0.408 -7.242) 7.288 16.922 ( 2.536 1.464 -5.780) 6.480 17.475 ( 3.608 2.083 7.765) 8.812 17.615 ( 0.680 0.392 -6.678) 6.724 17.921 ( -5.779 -3.336 0.289) 6.679 17.940 ( -7.488 -4.323 -1.896) 8.852 18.718 ( 4.706 2.717 4.093) 6.803 18.723 ( 6.018 3.474 5.734) 9.009 18.810 ( 2.611 1.508 -4.808) 5.675 18.833 ( 4.808 2.776 -5.404) 7.748 19.489 ( -0.078 -0.045 10.413) 10.413 19.659 ( -0.392 -0.227 -7.516) 7.529 20.962 ( -27.199 -15.703 14.872) 34.750 21.151 ( -20.346 -11.747 -6.615) 24.407 21.580 ( 1.890 1.091 0.485) 2.236 21.589 ( 1.896 1.095 -0.464) 2.238 22.146 ( 16.414 9.476 -0.285) 18.955 22.163 ( 13.847 7.994 -2.268) 16.149 22.932 ( 3.278 1.893 7.691) 8.572 23.103 ( 8.478 4.895 -11.135) 14.827 ======================= Grid point 268 (35/48) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 23.935 13.819 27.088) 38.699 2.376 ( 24.106 13.918 29.954) 40.891 2.832 ( 14.137 8.162 -32.288) 36.180 2.957 ( 17.526 10.119 -30.256) 36.401 3.743 ( 33.134 19.130 35.485) 52.182 4.275 ( 15.953 9.210 -18.260) 25.938 5.220 ( 5.362 3.096 10.726) 12.385 5.386 ( 2.107 1.216 -7.051) 7.459 5.671 ( 21.393 12.351 -2.155) 24.796 5.682 ( 13.834 7.987 -2.902) 16.235 6.324 ( -8.774 -5.066 5.372) 11.468 6.475 ( -8.930 -5.156 -9.024) 13.703 6.717 ( -2.245 -1.296 4.135) 4.880 6.801 ( 3.435 1.983 -1.948) 4.419 7.117 ( 1.766 1.020 2.753) 3.426 7.171 ( 5.713 3.298 4.433) 7.948 7.221 ( -1.644 -0.949 -8.275) 8.490 7.352 ( 1.143 0.660 -14.142) 14.204 8.026 ( -9.512 -5.492 8.453) 13.860 8.105 ( -11.803 -6.815 5.362) 14.646 8.200 ( -4.094 -2.364 -6.304) 7.880 8.246 ( -7.247 -4.184 -6.428) 10.552 8.695 ( -6.850 -3.955 13.990) 16.071 8.963 ( -6.847 -3.953 -13.400) 15.559 9.262 ( -12.219 -7.055 11.607) 18.271 9.357 ( -10.420 -6.016 0.448) 12.041 9.755 ( -1.504 -0.868 8.353) 8.532 9.872 ( -2.321 -1.340 -3.899) 4.731 9.961 ( 7.595 4.385 6.755) 11.070 10.077 ( 6.984 4.032 -5.444) 9.730 10.449 ( 1.581 0.913 18.546) 18.636 10.691 ( -5.628 -3.249 -1.309) 6.629 10.869 ( -0.401 -0.232 -3.616) 3.646 10.883 ( -0.299 -0.173 -4.023) 4.038 11.153 ( 1.433 0.828 -4.023) 4.350 11.178 ( 1.499 0.866 -5.173) 5.455 11.246 ( 1.817 1.049 -3.017) 3.675 11.288 ( 4.609 2.661 -11.875) 13.013 11.821 ( -19.014 -10.978 1.774) 22.028 11.824 ( -15.971 -9.221 1.982) 18.548 11.954 ( -12.721 -7.344 0.308) 14.692 12.029 ( -10.937 -6.314 -6.925) 14.402 12.509 ( -5.054 -2.918 5.038) 7.710 12.556 ( -4.134 -2.386 3.249) 5.774 12.648 ( -4.952 -2.859 2.285) 6.158 12.659 ( -1.822 -1.052 -3.201) 3.830 12.797 ( -8.417 -4.859 3.986) 10.504 12.829 ( -8.268 -4.774 1.839) 9.723 12.997 ( -4.389 -2.534 -0.471) 5.089 13.020 ( -8.682 -5.013 -3.860) 10.743 13.380 ( -1.051 -0.607 5.212) 5.352 13.475 ( -3.313 -1.913 -3.194) 4.983 13.589 ( -4.665 -2.693 0.729) 5.435 13.600 ( -5.256 -3.035 -0.207) 6.073 13.955 ( -2.860 -1.651 2.463) 4.120 13.986 ( -2.587 -1.494 -0.345) 3.007 14.315 ( 7.171 4.140 2.439) 8.632 14.369 ( 4.808 2.776 -3.415) 6.518 14.526 ( 0.640 0.370 1.020) 1.260 14.541 ( -1.307 -0.754 1.004) 1.813 14.843 ( 4.919 2.840 4.224) 7.078 14.905 ( -1.682 -0.971 -0.447) 1.993 15.079 ( 4.191 2.420 5.065) 7.005 15.131 ( 3.508 2.025 -2.451) 4.734 15.247 ( 11.387 6.574 -2.789) 13.441 15.303 ( 10.908 6.297 -6.626) 14.231 15.785 ( 18.938 10.934 7.044) 22.974 15.942 ( 16.670 9.624 -10.180) 21.774 16.676 ( -2.426 -1.401 9.266) 9.680 16.840 ( -0.540 -0.312 -5.660) 5.695 16.918 ( 4.238 2.447 0.235) 4.899 16.987 ( 2.920 1.686 -3.497) 4.858 17.533 ( -0.170 -0.098 4.022) 4.027 17.593 ( -3.995 -2.306 -2.288) 5.149 17.796 ( -3.934 -2.271 -1.215) 4.702 17.798 ( -3.566 -2.059 -3.114) 5.163 18.822 ( 4.508 2.603 1.292) 5.363 18.853 ( 3.996 2.307 -1.352) 4.808 18.933 ( 9.581 5.532 1.735) 11.199 18.984 ( 8.211 4.741 -3.091) 9.973 19.497 ( 1.168 0.675 10.107) 10.197 19.657 ( 0.413 0.239 -6.888) 6.904 20.496 ( -15.388 -8.884 18.661) 25.767 20.773 ( -13.684 -7.900 -11.159) 19.344 21.640 ( 3.441 1.987 0.524) 4.008 21.650 ( 3.515 2.029 -0.503) 4.089 22.371 ( 6.796 3.924 1.688) 8.027 22.417 ( 8.633 4.984 -3.286) 10.496 23.017 ( 3.708 2.141 11.050) 11.850 23.243 ( 3.165 1.827 -12.980) 13.485 ======================= Grid point 269 (36/48) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 28.399 16.396 13.755) 35.561 2.933 ( 25.187 14.542 19.666) 35.108 3.217 ( 20.215 11.671 -19.814) 30.618 3.381 ( 20.080 11.593 -22.232) 32.123 4.357 ( 20.088 11.598 17.253) 28.909 4.558 ( 8.268 4.773 -3.429) 10.144 5.327 ( 3.369 1.945 5.958) 7.116 5.418 ( 0.258 0.149 -4.180) 4.191 5.975 ( 7.533 4.349 0.386) 8.707 5.998 ( 1.047 0.605 -1.931) 2.279 6.144 ( -3.268 -1.887 7.230) 8.155 6.369 ( 3.684 2.127 -13.462) 14.118 6.691 ( -1.677 -0.968 7.805) 8.041 6.861 ( -3.918 -2.262 -6.987) 8.324 7.076 ( -1.392 -0.804 4.359) 4.646 7.109 ( 3.007 1.736 1.684) 3.859 7.317 ( 6.100 3.522 -5.513) 8.944 7.360 ( -4.329 -2.499 -10.385) 11.525 7.875 ( -6.501 -3.753 7.495) 10.608 7.907 ( -0.644 -0.372 12.218) 12.241 8.104 ( -3.720 -2.148 -10.651) 11.484 8.178 ( 1.877 1.084 -9.222) 9.473 8.652 ( 2.507 1.448 11.025) 11.398 8.840 ( -6.150 -3.551 -1.032) 7.176 9.037 ( -5.493 -3.171 0.317) 6.351 9.154 ( -8.030 -4.636 -6.083) 11.090 9.741 ( 0.382 0.221 7.236) 7.250 9.803 ( -3.733 -2.155 -0.972) 4.419 10.084 ( 1.987 1.147 5.573) 6.027 10.180 ( 0.587 0.339 -3.243) 3.313 10.450 ( -1.589 -0.917 5.884) 6.163 10.486 ( -8.122 -4.689 0.612) 9.398 10.864 ( -1.318 -0.761 5.018) 5.244 10.929 ( 2.104 1.215 2.194) 3.274 11.118 ( -8.402 -4.851 3.446) 10.296 11.156 ( -8.089 -4.670 -3.305) 9.908 11.224 ( -1.875 -1.083 -3.678) 4.268 11.328 ( -9.063 -5.233 -11.199) 15.328 11.394 ( -6.587 -3.803 -0.645) 7.633 11.443 ( -14.966 -8.640 -2.558) 17.469 11.784 ( -1.627 -0.939 -0.253) 1.895 11.824 ( -4.516 -2.607 -4.335) 6.781 12.334 ( -10.298 -5.946 5.348) 13.039 12.400 ( -10.770 -6.218 2.033) 12.601 12.480 ( -7.728 -4.462 1.639) 9.073 12.556 ( -5.812 -3.355 -9.164) 11.359 12.736 ( 0.538 0.310 2.673) 2.744 12.764 ( 0.680 0.393 0.224) 0.817 12.918 ( -1.034 -0.597 3.837) 4.018 12.997 ( 2.980 1.721 -2.975) 4.549 13.350 ( -2.295 -1.325 2.723) 3.799 13.388 ( -4.158 -2.401 -1.391) 4.999 13.512 ( -2.325 -1.342 1.063) 2.888 13.526 ( -1.545 -0.892 0.061) 1.786 13.919 ( -2.685 -1.550 -0.579) 3.154 13.928 ( 0.606 0.350 -1.547) 1.699 14.360 ( -5.014 -2.895 2.230) 6.204 14.402 ( -1.113 -0.643 -1.435) 1.926 14.528 ( 2.297 1.326 1.252) 2.933 14.574 ( 3.312 1.912 -3.582) 5.240 14.871 ( -1.434 -0.828 2.223) 2.772 14.888 ( -0.413 -0.238 0.973) 1.084 15.188 ( 2.030 1.172 0.446) 2.386 15.190 ( 5.036 2.908 -0.035) 5.816 15.510 ( 11.691 6.750 0.698) 13.518 15.541 ( 10.269 5.929 -1.643) 11.971 16.175 ( 15.651 9.036 3.540) 18.416 16.236 ( 10.464 6.042 -3.357) 12.541 16.639 ( -0.819 -0.473 10.367) 10.410 16.828 ( -0.376 -0.217 -8.894) 8.905 17.009 ( 3.613 2.086 0.321) 4.185 17.035 ( 1.238 0.715 0.311) 1.463 17.455 ( -5.325 -3.075 -0.330) 6.158 17.455 ( -6.925 -3.998 -0.375) 8.005 17.739 ( -2.551 -1.473 0.413) 2.974 17.782 ( 0.396 0.228 -6.585) 6.601 18.915 ( 3.639 2.101 0.433) 4.225 18.931 ( 3.229 1.864 -1.504) 4.021 19.174 ( 11.381 6.571 0.493) 13.151 19.174 ( 8.757 5.056 0.525) 10.125 19.550 ( 3.532 2.039 8.514) 9.440 19.683 ( 1.860 1.074 -5.724) 6.114 20.239 ( -8.741 -5.047 17.460) 20.168 20.531 ( -8.581 -4.954 -13.135) 16.453 21.726 ( 4.145 2.393 0.673) 4.834 21.739 ( 4.331 2.501 -0.649) 5.043 22.508 ( 6.004 3.467 2.373) 7.328 22.563 ( 5.185 2.994 -3.476) 6.923 23.071 ( 0.926 0.535 9.101) 9.164 23.245 ( -2.544 -1.469 -9.168) 9.627 ======================= Grid point 270 (37/48) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.455 ( 21.345 12.324 9.833) 26.536 3.465 ( 26.325 15.199 3.602) 30.610 3.695 ( 21.881 12.633 -6.351) 26.052 3.817 ( 18.738 10.818 -13.738) 25.630 4.592 ( 1.654 0.955 4.593) 4.974 4.615 ( -3.037 -1.754 2.024) 4.050 5.318 ( -4.755 -2.745 2.562) 6.058 5.376 ( -4.229 -2.441 -3.368) 5.931 5.831 ( -10.489 -6.056 0.703) 12.133 5.869 ( -8.149 -4.705 -2.761) 9.806 6.284 ( 6.848 3.954 7.836) 11.132 6.476 ( 1.467 0.847 -9.079) 9.236 6.639 ( -0.193 -0.112 4.381) 4.387 6.711 ( -4.259 -2.459 1.235) 5.071 7.020 ( -5.436 -3.139 7.681) 9.920 7.161 ( -9.412 -5.434 -7.492) 13.200 7.386 ( 12.564 7.254 4.648) 15.234 7.505 ( 8.679 5.011 -6.555) 11.975 7.852 ( 5.146 2.971 3.968) 7.145 8.002 ( 9.509 5.490 -4.227) 11.765 8.136 ( 6.282 3.627 0.178) 7.256 8.302 ( 9.609 5.547 -7.860) 13.597 8.655 ( -8.570 -4.948 11.557) 15.215 8.737 ( 3.202 1.849 4.591) 5.894 9.003 ( -4.934 -2.849 -9.384) 10.978 9.054 ( 4.814 2.779 -11.180) 12.486 9.701 ( -6.312 -3.644 7.102) 10.177 9.768 ( 1.353 0.781 4.137) 4.422 10.012 ( -7.541 -4.354 2.477) 9.053 10.054 ( -9.391 -5.422 1.559) 10.955 10.415 ( -1.106 -0.639 0.643) 1.430 10.436 ( 2.107 1.216 -0.086) 2.434 10.670 ( -22.437 -12.954 0.465) 25.912 10.680 ( -16.305 -9.414 1.242) 18.868 10.937 ( -2.700 -1.559 3.209) 4.474 10.977 ( -3.383 -1.953 -0.489) 3.937 11.132 ( -5.873 -3.391 3.348) 7.563 11.193 ( -1.555 -0.898 -2.477) 3.059 11.317 ( 1.239 0.715 0.046) 1.431 11.396 ( 1.361 0.786 -7.598) 7.759 11.806 ( 1.265 0.730 3.066) 3.396 11.855 ( 4.996 2.885 -4.721) 7.454 12.104 ( -14.166 -8.179 4.239) 16.898 12.113 ( -7.991 -4.614 2.242) 9.496 12.312 ( -7.299 -4.214 0.160) 8.430 12.447 ( -4.478 -2.585 -13.066) 14.051 12.791 ( 1.764 1.019 -0.281) 2.057 12.792 ( 4.339 2.505 0.036) 5.010 12.939 ( 1.681 0.971 8.715) 8.928 13.068 ( 2.168 1.251 -4.213) 4.901 13.287 ( -2.486 -1.435 -0.347) 2.891 13.312 ( -2.563 -1.480 -2.656) 3.977 13.495 ( 0.236 0.136 1.085) 1.119 13.498 ( -1.056 -0.610 0.604) 1.360 13.885 ( -0.264 -0.153 3.772) 3.785 13.976 ( 3.488 2.014 -4.975) 6.400 14.215 ( -7.235 -4.177 4.608) 9.540 14.314 ( -5.253 -3.033 -5.784) 8.382 14.609 ( 3.730 2.153 1.273) 4.491 14.624 ( 1.018 0.588 -0.202) 1.193 14.846 ( -0.657 -0.380 0.653) 1.001 14.854 ( -2.234 -1.290 0.799) 2.700 15.220 ( 0.896 0.517 1.982) 2.236 15.275 ( 2.550 1.472 -4.095) 5.044 15.743 ( 8.854 5.112 2.245) 10.468 15.747 ( 7.995 4.616 2.436) 9.548 16.420 ( 6.308 3.642 3.390) 8.034 16.469 ( 10.811 6.242 -1.451) 12.567 16.636 ( 0.315 0.182 9.252) 9.259 16.816 ( -0.928 -0.536 -9.451) 9.511 17.048 ( 0.319 0.184 3.045) 3.067 17.072 ( 2.135 1.233 -0.954) 2.643 17.326 ( -4.323 -2.496 -0.072) 4.992 17.339 ( -4.891 -2.824 -1.060) 5.747 17.662 ( -4.171 -2.408 3.023) 5.686 17.776 ( -0.895 -0.517 -10.999) 11.048 18.974 ( 1.739 1.004 0.827) 2.172 18.991 ( 2.072 1.196 -1.482) 2.814 19.368 ( 8.538 4.930 4.085) 10.672 19.417 ( 10.169 5.871 -1.072) 11.791 19.634 ( 3.293 1.901 5.359) 6.571 19.727 ( 1.622 0.937 -4.598) 4.965 20.084 ( -5.515 -3.184 16.572) 17.754 20.377 ( -5.482 -3.165 -13.775) 15.160 21.813 ( 3.476 2.007 0.937) 4.121 21.831 ( 3.726 2.151 -0.906) 4.396 22.645 ( 6.363 3.674 1.006) 7.416 22.662 ( 3.816 2.203 -0.680) 4.458 23.062 ( -1.473 -0.851 4.209) 4.540 23.150 ( -5.633 -3.252 -4.869) 8.125 ======================= Grid point 271 (38/48) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.836 ( 11.010 6.357 7.164) 14.593 3.945 ( 14.109 8.146 -3.964) 16.767 4.133 ( 16.812 9.707 -0.446) 19.419 4.188 ( 14.834 8.565 -6.046) 18.165 4.447 ( -11.287 -6.516 1.947) 13.177 4.481 ( -10.404 -6.007 -1.788) 12.146 5.173 ( -5.653 -3.264 4.622) 7.998 5.262 ( -4.351 -2.512 -4.098) 6.484 5.641 ( -5.150 -2.973 1.853) 6.229 5.719 ( -4.305 -2.486 -5.773) 7.619 6.393 ( 3.138 1.812 4.199) 5.546 6.466 ( -0.564 -0.326 0.758) 1.000 6.681 ( -0.007 -0.004 10.268) 10.268 6.709 ( 5.205 3.005 -0.229) 6.015 6.867 ( -7.176 -4.143 2.411) 8.630 6.981 ( -5.121 -2.956 -12.324) 13.669 7.531 ( 1.714 0.990 5.198) 5.562 7.608 ( 1.585 0.915 -2.226) 2.882 8.068 ( 9.054 5.227 1.587) 10.574 8.204 ( 5.182 2.992 -12.235) 13.620 8.325 ( 7.442 4.296 12.651) 15.293 8.519 ( -3.138 -1.812 9.439) 10.110 8.545 ( 8.182 4.724 -7.441) 12.026 8.734 ( -2.294 -1.324 -13.105) 13.370 9.029 ( 9.577 5.529 6.645) 12.902 9.207 ( 8.729 5.040 -8.130) 12.949 9.438 ( -17.445 -10.072 13.315) 24.147 9.644 ( -12.361 -7.137 -7.444) 16.098 9.956 ( 3.138 1.812 3.555) 5.076 9.976 ( 7.010 4.047 -0.810) 8.134 10.200 ( -15.783 -9.112 0.358) 18.228 10.249 ( -13.220 -7.633 -4.353) 15.874 10.534 ( 3.522 2.033 5.989) 7.239 10.572 ( 6.311 3.644 4.659) 8.649 10.825 ( -6.859 -3.960 -4.004) 8.875 10.832 ( -7.514 -4.338 -6.756) 10.997 11.082 ( 0.524 0.302 9.611) 9.630 11.260 ( 5.115 2.953 -6.290) 8.629 11.354 ( 1.060 0.612 7.322) 7.423 11.406 ( -1.086 -0.627 -0.307) 1.291 11.776 ( -2.571 -1.485 6.353) 7.013 11.819 ( -7.358 -4.248 3.732) 9.280 11.987 ( 3.258 1.881 -3.999) 5.491 12.058 ( 2.300 1.328 -5.609) 6.206 12.168 ( -5.487 -3.168 2.345) 6.756 12.361 ( -2.683 -1.549 -14.794) 15.115 12.835 ( 1.622 0.937 2.817) 3.383 12.908 ( 5.342 3.084 -4.133) 7.425 12.959 ( 0.068 0.039 7.516) 7.517 13.050 ( -3.344 -1.931 -2.541) 4.622 13.266 ( 0.132 0.076 -2.086) 2.092 13.276 ( -0.756 -0.437 -3.004) 3.128 13.481 ( -0.454 -0.262 1.040) 1.165 13.504 ( 0.344 0.198 -1.706) 1.752 13.908 ( 1.997 1.153 9.966) 10.229 14.070 ( -4.929 -2.846 5.595) 7.981 14.071 ( 4.765 2.751 -5.928) 8.088 14.194 ( -5.319 -3.071 -8.262) 10.295 14.629 ( -0.156 -0.090 3.869) 3.873 14.678 ( 2.268 1.310 -1.214) 2.887 14.802 ( -1.934 -1.117 2.000) 2.998 14.840 ( -0.085 -0.049 -2.409) 2.411 15.232 ( 0.231 0.134 2.366) 2.381 15.308 ( 0.595 0.343 -5.768) 5.809 15.876 ( 3.177 1.835 4.778) 6.024 15.883 ( 3.420 1.975 3.514) 5.286 16.519 ( 2.544 1.469 8.219) 8.728 16.638 ( -0.319 -0.184 6.148) 6.159 16.647 ( 4.979 2.874 -5.324) 7.835 16.784 ( -1.756 -1.014 -9.072) 9.296 17.065 ( 1.061 0.613 3.669) 3.869 17.108 ( 1.059 0.611 -1.233) 1.737 17.248 ( -2.837 -1.638 0.956) 3.412 17.266 ( -1.240 -0.716 -1.160) 1.843 17.579 ( -2.486 -1.436 5.445) 6.155 17.756 ( -0.651 -0.376 -14.239) 14.259 18.997 ( 0.437 0.253 1.493) 1.576 19.022 ( 0.672 0.388 -1.823) 1.981 19.535 ( 5.807 3.353 6.464) 9.314 19.604 ( 6.044 3.490 -0.109) 6.980 19.664 ( -0.830 -0.479 2.181) 2.382 19.734 ( -1.140 -0.658 -5.709) 5.859 19.997 ( -2.078 -1.200 16.664) 16.836 20.290 ( -2.142 -1.237 -13.743) 13.964 21.869 ( 1.370 0.791 1.176) 1.971 21.892 ( 1.501 0.866 -1.144) 2.076 22.727 ( 1.768 1.021 3.248) 3.836 22.781 ( 5.187 2.994 -2.278) 6.408 23.020 ( -5.177 -2.989 -0.285) 5.984 23.025 ( -1.253 -0.724 -0.827) 1.667 ======================= Grid point 278 (39/48) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 12.618 21.854 31.151) 40.090 2.227 ( 12.619 21.856 32.827) 41.407 2.759 ( 7.264 12.582 -34.688) 37.608 2.848 ( 8.857 15.341 -32.365) 36.895 3.546 ( 19.715 34.148 40.425) 56.471 4.181 ( 9.554 16.548 -23.834) 30.548 5.182 ( 2.722 4.715 11.668) 12.876 5.370 ( 0.998 1.728 -8.223) 8.462 5.544 ( 11.593 20.079 1.293) 23.221 5.615 ( 8.367 14.492 -5.091) 17.491 6.382 ( -4.158 -7.201 5.943) 10.220 6.554 ( -3.810 -6.600 -12.639) 14.759 6.669 ( -3.516 -6.090 8.748) 11.224 6.803 ( 0.022 0.039 -4.839) 4.840 7.092 ( 6.015 10.417 4.356) 12.793 7.132 ( -0.832 -1.441 7.685) 7.863 7.254 ( 6.605 11.440 -11.822) 17.727 7.340 ( -2.814 -4.874 -13.353) 14.490 8.050 ( -8.106 -14.040 7.393) 17.818 8.189 ( -4.497 -7.789 -6.927) 11.352 8.230 ( -4.315 -7.473 4.543) 9.752 8.316 ( -2.388 -4.136 -4.498) 6.560 8.720 ( -6.479 -11.222 14.873) 19.726 9.000 ( -4.588 -7.947 -14.790) 17.406 9.323 ( -7.806 -13.520 13.155) 20.416 9.417 ( -6.621 -11.467 1.121) 13.289 9.790 ( -0.337 -0.584 8.710) 8.736 9.893 ( 4.356 7.544 7.088) 11.231 9.935 ( 0.026 0.044 -5.676) 5.676 10.006 ( 4.066 7.043 -5.037) 9.566 10.448 ( 1.754 3.037 22.489) 22.761 10.733 ( 3.331 5.769 9.028) 11.220 10.862 ( -6.178 -10.701 -16.212) 20.384 10.895 ( 1.075 1.862 -8.164) 8.443 11.088 ( -1.186 -2.054 -0.932) 2.549 11.226 ( 2.660 4.607 -2.180) 5.749 11.227 ( 1.295 2.242 -17.161) 17.355 11.241 ( 1.811 3.137 -4.139) 5.500 11.878 ( -9.948 -17.230 2.839) 20.097 11.928 ( -10.966 -18.994 -2.357) 22.059 12.009 ( -5.489 -9.508 6.526) 12.772 12.160 ( -2.912 -5.043 -9.431) 11.084 12.556 ( -2.063 -3.573 7.201) 8.299 12.574 ( -0.725 -1.257 5.924) 6.099 12.636 ( -3.682 -6.377 -1.825) 7.587 12.651 ( -2.310 -4.001 -2.348) 5.183 12.877 ( -4.895 -8.478 4.321) 10.701 12.951 ( -4.472 -7.745 -1.859) 9.135 12.975 ( -5.312 -9.201 6.591) 12.503 13.104 ( -5.970 -10.340 -5.811) 13.278 13.374 ( -1.626 -2.816 4.869) 5.854 13.500 ( -1.674 -2.900 -7.338) 8.066 13.568 ( -4.955 -8.583 3.046) 10.369 13.589 ( -4.210 -7.292 0.783) 8.456 14.089 ( -0.239 -0.414 5.080) 5.103 14.116 ( 3.188 5.521 4.202) 7.635 14.174 ( -1.610 -2.789 -2.572) 4.121 14.196 ( 2.592 4.490 -3.943) 6.514 14.547 ( 1.781 3.084 3.837) 5.235 14.629 ( 2.805 4.859 -4.597) 7.253 14.783 ( 2.471 4.279 9.190) 10.434 14.906 ( -0.804 -1.393 -0.776) 1.786 15.054 ( 0.957 1.657 6.615) 6.887 15.119 ( 6.333 10.969 -0.693) 12.684 15.197 ( 1.407 2.437 -8.179) 8.650 15.206 ( 7.726 13.382 -7.309) 17.094 15.674 ( 10.943 18.954 7.030) 22.988 15.843 ( 11.047 19.135 -11.478) 24.898 16.692 ( -1.542 -2.671 8.829) 9.352 16.859 ( -0.695 -1.204 -8.500) 8.613 16.868 ( 2.239 3.879 4.763) 6.538 16.972 ( 1.855 3.213 -5.042) 6.260 17.543 ( 2.359 4.086 5.150) 6.985 17.631 ( 0.502 0.869 -3.712) 3.845 17.793 ( -4.968 -8.605 0.264) 9.939 17.824 ( -3.885 -6.729 -3.421) 8.490 18.802 ( 2.886 4.998 2.189) 6.172 18.851 ( 5.436 9.415 4.024) 11.592 18.860 ( 1.965 3.404 -3.439) 5.222 18.931 ( 4.276 7.407 -4.147) 9.505 19.491 ( 0.265 0.460 10.325) 10.338 19.655 ( 0.010 0.017 -7.140) 7.140 20.594 ( -10.544 -18.262 18.513) 28.061 20.858 ( -9.020 -15.624 -10.236) 20.743 21.624 ( 2.011 3.483 0.497) 4.052 21.634 ( 2.027 3.510 -0.479) 4.081 22.326 ( 4.300 7.448 1.022) 8.660 22.360 ( 5.849 10.131 -2.646) 11.994 22.994 ( 2.325 4.026 10.641) 11.612 23.219 ( 2.903 5.029 -13.433) 14.634 ======================= Grid point 279 (40/48) ======================= q-point: ( 0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 20.222 25.252 18.651) 37.342 2.713 ( 20.241 20.513 24.524) 37.841 3.072 ( 13.321 16.455 -25.527) 33.164 3.202 ( 15.388 14.890 -25.669) 33.428 4.182 ( 19.635 23.537 23.343) 38.528 4.486 ( 8.893 11.134 -7.533) 16.118 5.288 ( 4.227 4.058 7.370) 9.416 5.405 ( 1.323 0.749 -5.169) 5.387 5.870 ( 9.536 9.471 2.402) 13.653 5.948 ( 8.009 10.388 -4.615) 13.905 6.265 ( -5.037 2.822 4.836) 7.531 6.433 ( -5.670 3.379 -10.170) 12.124 6.600 ( 4.260 -8.645 6.026) 11.367 6.809 ( 2.436 -4.598 -11.433) 12.562 7.044 ( -2.920 -6.564 6.129) 9.443 7.180 ( -7.139 -4.541 -6.471) 10.652 7.286 ( 4.160 7.536 4.340) 9.640 7.434 ( 1.515 7.927 -9.629) 12.564 7.802 ( -3.838 -13.216 12.348) 18.490 8.037 ( -5.600 -6.246 -7.682) 11.375 8.082 ( -4.608 -3.652 2.728) 6.482 8.240 ( -2.909 1.289 -10.209) 10.693 8.589 ( 1.443 -5.009 15.546) 16.397 8.878 ( -2.785 -3.571 -12.907) 13.678 9.044 ( -7.600 -14.442 11.379) 19.895 9.210 ( -6.321 -8.581 -5.607) 12.043 9.789 ( -1.195 3.775 9.299) 10.107 9.907 ( -4.593 4.106 -3.239) 6.960 10.056 ( 5.166 5.204 5.442) 9.132 10.135 ( 4.121 1.866 -2.528) 5.182 10.492 ( -0.984 2.703 11.697) 12.046 10.616 ( -11.204 -5.113 -2.050) 12.485 10.848 ( 4.407 -1.335 4.114) 6.175 10.908 ( -1.376 2.289 -1.782) 3.211 11.063 ( 3.059 -6.726 0.527) 7.408 11.154 ( -7.897 -12.842 2.440) 15.272 11.243 ( -3.119 -3.893 -7.315) 8.853 11.283 ( 1.291 -4.982 -14.815) 15.683 11.547 ( -7.616 -8.214 2.514) 11.480 11.628 ( -7.842 -2.980 -5.672) 10.127 11.817 ( -6.814 -5.540 7.068) 11.273 11.995 ( -12.407 -1.503 -10.005) 16.010 12.425 ( -7.742 -6.321 3.888) 10.725 12.476 ( -5.620 -6.785 0.415) 8.820 12.505 ( -4.180 -9.478 1.609) 10.483 12.550 ( -2.266 -8.489 -1.674) 8.944 12.754 ( -3.518 -1.891 4.588) 6.083 12.815 ( -4.732 2.013 -0.006) 5.142 12.915 ( 0.530 -4.079 0.945) 4.221 12.982 ( -0.174 -0.721 -3.855) 3.926 13.335 ( -0.159 -3.041 5.048) 5.895 13.412 ( -4.008 -4.581 -0.022) 6.087 13.470 ( 0.992 -6.087 -0.497) 6.187 13.498 ( -0.122 -5.754 -1.088) 5.857 13.997 ( -6.280 1.306 0.911) 6.479 14.033 ( -9.057 2.050 -2.297) 9.565 14.262 ( 8.030 -5.791 1.466) 10.008 14.293 ( 5.070 -4.584 -1.805) 7.069 14.579 ( -2.336 5.438 4.798) 7.620 14.682 ( -2.968 7.887 -5.743) 10.198 14.837 ( 2.124 -1.980 3.999) 4.942 14.902 ( 1.091 0.343 -2.165) 2.449 15.102 ( 3.606 0.838 5.938) 6.997 15.222 ( -0.218 3.985 -5.728) 6.981 15.379 ( 11.068 8.710 4.100) 14.668 15.472 ( 9.287 11.646 -4.686) 15.615 16.047 ( 12.619 14.751 5.679) 20.226 16.157 ( 9.002 11.502 -6.292) 15.904 16.647 ( -1.211 -1.585 10.275) 10.467 16.835 ( -0.862 -0.452 -9.014) 9.066 16.947 ( 3.721 1.075 3.157) 4.997 17.030 ( 1.678 2.311 -3.133) 4.239 17.550 ( -7.289 0.592 2.126) 7.616 17.579 ( -7.559 1.161 -1.067) 7.722 17.698 ( 2.600 -5.903 -0.206) 6.454 17.739 ( 2.057 -4.557 -6.211) 7.974 18.889 ( 2.542 3.411 1.331) 4.457 18.921 ( 1.500 3.826 -2.045) 4.590 19.070 ( 9.276 8.811 1.708) 12.907 19.105 ( 7.092 8.077 -1.899) 10.915 19.517 ( 2.088 1.471 9.827) 10.154 19.668 ( 1.073 1.006 -6.358) 6.526 20.311 ( -7.854 -9.370 17.858) 21.642 20.600 ( -7.531 -9.188 -12.565) 17.292 21.709 ( 2.968 5.140 0.571) 5.963 21.720 ( 3.077 5.219 -0.550) 6.083 22.452 ( 4.601 4.185 2.537) 6.717 22.513 ( 4.564 4.444 -3.993) 7.518 23.059 ( 1.521 1.715 10.358) 10.609 23.259 ( -0.632 -0.702 -10.704) 10.745 ======================= Grid point 280 (41/48) ======================= q-point: ( 0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 21.524 19.591 12.508) 31.679 3.263 ( 21.609 21.215 11.223) 32.295 3.497 ( 17.782 16.862 -13.496) 27.976 3.617 ( 17.941 12.649 -17.637) 28.159 4.554 ( 6.384 6.990 9.074) 13.113 4.640 ( 0.856 3.138 0.222) 3.261 5.362 ( -0.461 1.581 2.500) 2.994 5.406 ( -1.292 -1.297 -2.096) 2.783 5.891 ( -5.220 -7.670 3.570) 9.941 5.981 ( -6.651 -1.669 -5.264) 8.645 6.253 ( -1.335 4.235 9.338) 10.340 6.471 ( -1.199 2.437 -9.229) 9.620 6.619 ( 2.525 -1.773 3.339) 4.546 6.747 ( -1.064 -4.118 -4.403) 6.122 6.999 ( 1.922 -5.281 5.945) 8.181 7.151 ( 4.615 -4.116 -9.016) 10.933 7.345 ( -0.265 8.117 6.993) 10.717 7.494 ( 0.110 8.622 -6.665) 10.898 7.722 ( 5.653 -7.610 9.790) 13.628 7.939 ( 1.646 -3.959 -11.960) 12.705 8.075 ( 3.605 5.670 7.626) 10.163 8.292 ( 3.154 8.892 -13.027) 16.085 8.630 ( 3.996 -4.230 10.758) 12.231 8.741 ( -5.208 -5.360 10.524) 12.908 8.923 ( 3.076 -6.718 -9.068) 11.697 9.059 ( -2.463 -4.209 -14.021) 14.845 9.826 ( -1.993 7.471 8.728) 11.660 9.861 ( -7.785 6.414 3.647) 10.726 10.081 ( -5.816 -3.245 1.890) 6.923 10.128 ( -3.058 -4.831 -1.255) 5.854 10.406 ( -4.550 -2.434 6.334) 8.170 10.474 ( -4.867 -0.767 0.004) 4.927 10.756 ( -11.549 -14.491 4.493) 19.067 10.807 ( -8.365 -15.707 -0.043) 17.795 10.914 ( 1.509 -2.959 4.346) 5.470 10.996 ( 0.611 -0.100 -2.192) 2.278 11.184 ( 5.316 -2.482 -0.504) 5.888 11.286 ( -1.184 0.557 -6.793) 6.917 11.432 ( -16.186 6.560 1.015) 17.494 11.498 ( -8.855 5.783 -7.762) 13.119 11.759 ( 2.426 -0.627 2.355) 3.439 11.840 ( -2.290 0.780 -5.423) 5.938 12.185 ( -10.778 -9.089 7.240) 15.849 12.276 ( -11.427 -6.048 0.999) 12.967 12.352 ( -4.744 -8.042 -1.503) 9.457 12.417 ( -0.630 -10.197 -10.302) 14.509 12.733 ( 2.331 -1.659 3.373) 4.423 12.795 ( 0.322 0.798 -2.019) 2.194 12.914 ( 1.726 -0.296 6.473) 6.705 13.023 ( 3.289 -0.137 -3.872) 5.083 13.282 ( -1.367 -3.608 2.811) 4.774 13.333 ( -1.828 -2.433 -0.988) 3.200 13.445 ( 2.383 -4.447 0.877) 5.120 13.469 ( 1.704 -4.108 -0.442) 4.470 13.909 ( -4.732 -2.702 -0.348) 5.461 13.952 ( 0.192 -0.942 -4.172) 4.282 14.248 ( -2.913 -5.796 1.480) 6.654 14.277 ( 0.888 -6.359 -1.635) 6.626 14.615 ( 0.095 6.055 4.392) 7.481 14.686 ( -3.845 4.885 -1.913) 6.505 14.863 ( 1.521 2.080 0.990) 2.761 14.900 ( -2.325 1.184 -1.269) 2.901 15.176 ( 4.153 -0.470 2.984) 5.136 15.258 ( 1.189 1.783 -5.401) 5.811 15.634 ( 9.370 7.946 6.841) 14.062 15.728 ( 7.414 12.111 -2.292) 14.384 16.337 ( 8.649 6.539 2.787) 11.195 16.384 ( 7.689 9.092 -1.849) 12.051 16.626 ( 0.323 -0.955 10.317) 10.366 16.818 ( -0.590 -1.018 -9.463) 9.536 17.001 ( 2.792 -1.203 3.295) 4.483 17.073 ( 1.087 2.044 -2.375) 3.317 17.398 ( -7.739 -1.661 2.828) 8.405 17.465 ( -8.194 2.348 -3.935) 9.388 17.665 ( -0.461 -5.311 2.058) 5.714 17.754 ( 2.003 -2.703 -8.738) 9.363 18.948 ( 2.029 0.817 1.620) 2.722 18.980 ( 1.590 2.749 -1.892) 3.697 19.294 ( 7.626 7.129 1.812) 10.595 19.317 ( 9.103 8.103 -0.608) 12.202 19.587 ( 3.920 1.737 7.595) 8.721 19.707 ( 1.892 1.453 -5.226) 5.745 20.135 ( -5.364 -5.365 16.469) 18.132 20.424 ( -5.242 -5.793 -13.461) 15.564 21.812 ( 2.378 6.555 0.781) 7.016 21.827 ( 2.603 6.715 -0.749) 7.240 22.568 ( 5.681 2.454 2.092) 6.532 22.612 ( 4.106 1.930 -2.496) 5.179 23.069 ( -0.627 -0.919 6.501) 6.595 23.196 ( -3.919 -3.726 -6.644) 8.566 ======================= Grid point 281 (42/48) ======================= q-point: ( 0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( 16.276 12.412 8.833) 22.293 3.790 ( 17.257 16.814 -1.039) 24.117 3.949 ( 17.794 13.148 -3.536) 22.405 4.015 ( 16.313 9.934 -9.019) 21.122 4.548 ( -6.613 -4.311 3.254) 8.538 4.583 ( -7.442 -2.951 -0.177) 8.008 5.270 ( -7.395 -2.881 3.877) 8.833 5.342 ( -5.839 -0.128 -2.590) 6.389 5.697 ( -7.421 -6.981 3.890) 10.906 5.820 ( -8.974 -0.396 -8.220) 12.176 6.259 ( 5.151 -7.703 8.226) 12.391 6.430 ( 1.444 -5.778 -7.417) 9.512 6.653 ( 1.010 3.061 7.610) 8.264 6.747 ( -0.720 3.977 0.068) 4.042 6.926 ( -4.627 -4.900 5.514) 8.708 7.054 ( -5.453 -3.930 -9.206) 11.398 7.512 ( 3.904 4.726 5.690) 8.364 7.594 ( 2.168 3.787 -2.676) 5.119 7.843 ( 14.513 -2.459 4.696) 15.451 8.047 ( 12.192 -1.427 -15.992) 20.160 8.261 ( 8.677 5.388 8.887) 13.539 8.449 ( 4.709 1.974 -7.315) 8.921 8.532 ( -1.982 -2.294 9.616) 10.082 8.769 ( 0.627 1.809 -3.987) 4.423 8.897 ( 6.237 -4.045 1.158) 7.523 9.115 ( 6.784 4.648 -13.672) 15.955 9.647 ( -15.456 -7.620 12.097) 21.054 9.797 ( -13.095 -6.248 -1.018) 14.545 9.938 ( 1.413 5.066 4.441) 6.883 10.029 ( -6.512 3.229 -3.482) 8.060 10.306 ( -9.193 -7.600 1.901) 12.079 10.363 ( -4.600 -5.949 -1.854) 7.745 10.501 ( -2.132 2.888 8.536) 9.260 10.663 ( -2.261 6.061 -6.047) 8.855 10.918 ( -3.899 1.354 8.023) 9.023 11.025 ( -5.200 4.029 -1.488) 6.744 11.136 ( -10.896 2.093 4.213) 11.868 11.232 ( -2.123 2.796 -3.037) 4.643 11.332 ( 2.656 1.188 1.005) 3.078 11.443 ( -3.019 3.509 -7.117) 8.490 11.757 ( -3.583 -7.107 6.317) 10.161 11.855 ( 1.417 -4.396 -5.139) 6.909 11.967 ( -3.690 -2.586 7.285) 8.566 12.082 ( -3.860 -1.264 -0.336) 4.076 12.209 ( -4.488 -4.376 -4.167) 7.527 12.324 ( 0.370 -9.344 -12.864) 15.903 12.777 ( 4.677 -2.188 3.251) 6.102 12.851 ( 4.967 1.229 -2.874) 5.868 12.931 ( 1.600 -3.178 6.594) 7.493 13.041 ( 0.448 -3.803 -3.926) 5.484 13.256 ( 0.522 -0.925 0.069) 1.065 13.290 ( -1.503 -0.312 -2.549) 2.976 13.450 ( 1.485 -2.880 1.289) 3.487 13.470 ( 2.692 -2.627 -0.621) 3.812 13.824 ( 1.099 -8.590 6.306) 10.713 13.977 ( 5.629 -4.857 -8.434) 11.243 14.135 ( -4.902 -1.894 3.666) 6.408 14.204 ( -2.747 -4.017 -3.772) 6.157 14.653 ( -2.206 1.773 4.634) 5.430 14.688 ( 0.215 5.832 1.458) 6.015 14.849 ( -3.953 0.909 1.984) 4.515 14.922 ( -1.263 7.331 -5.297) 9.132 15.215 ( 1.480 -0.859 2.237) 2.817 15.292 ( 1.548 0.115 -6.041) 6.237 15.825 ( 5.045 6.065 9.270) 12.173 15.933 ( 2.717 11.728 -0.887) 12.071 16.468 ( 3.729 0.871 6.920) 7.908 16.563 ( 5.837 2.473 -0.889) 6.401 16.643 ( 1.634 1.061 3.232) 3.774 16.789 ( -0.960 -2.120 -9.357) 9.642 17.028 ( 2.242 -1.196 4.426) 5.103 17.110 ( 1.007 2.191 -3.059) 3.895 17.281 ( -4.844 -0.962 4.382) 6.603 17.367 ( -6.410 3.340 -4.422) 8.474 17.592 ( -2.011 -4.411 4.833) 6.845 17.747 ( 0.373 -2.325 -12.348) 12.571 18.974 ( 1.386 -0.865 2.594) 3.066 19.021 ( 0.822 1.483 -2.625) 3.125 19.473 ( 6.490 5.554 4.454) 9.634 19.527 ( 7.671 5.297 -0.917) 9.367 19.651 ( 1.900 -0.061 4.246) 4.652 19.740 ( 0.303 0.429 -4.886) 4.914 20.023 ( -3.259 -2.850 16.140) 16.711 20.311 ( -2.969 -3.454 -13.540) 14.286 21.900 ( 0.007 6.959 1.083) 7.043 21.921 ( 0.216 7.174 -1.044) 7.253 22.673 ( 4.651 -0.702 1.962) 5.097 22.703 ( 5.821 1.328 -1.081) 6.067 23.031 ( -1.711 -2.578 1.840) 3.600 23.078 ( -4.976 -3.776 -2.896) 6.885 ======================= Grid point 282 (43/48) ======================= q-point: ( 0.45 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( -1.053 1.823 7.225) 7.526 4.045 ( -1.064 1.843 -5.413) 5.816 4.271 ( 0.804 -1.392 0.188) 1.618 4.321 ( 1.022 -1.770 -5.026) 5.426 4.350 ( -1.342 2.325 1.318) 2.991 4.378 ( -1.791 3.103 -1.768) 3.995 5.170 ( -1.051 1.821 6.328) 6.668 5.270 ( -2.086 3.613 -2.515) 4.872 5.590 ( 1.091 -1.890 3.654) 4.256 5.731 ( -2.225 3.854 -9.920) 10.872 6.274 ( 6.011 -10.412 7.879) 14.374 6.420 ( 3.464 -5.999 -5.538) 8.869 6.685 ( -0.400 0.693 11.838) 11.865 6.795 ( 0.527 -0.912 1.213) 1.606 6.809 ( -2.250 3.897 2.465) 5.130 6.986 ( -1.433 2.482 -12.873) 13.188 7.552 ( -0.735 1.273 5.148) 5.354 7.627 ( -0.752 1.303 -2.106) 2.588 7.991 ( 4.911 -8.506 2.949) 10.255 8.170 ( 3.310 -5.733 -14.064) 15.544 8.357 ( 6.699 -11.602 7.824) 15.515 8.473 ( -2.787 4.827 12.702) 13.872 8.527 ( 4.389 -7.602 -9.182) 12.703 8.754 ( 0.149 -0.258 -15.439) 15.442 9.080 ( 1.527 -2.646 11.622) 12.017 9.280 ( -1.406 2.436 -8.208) 8.676 9.321 ( -1.837 3.182 15.540) 15.968 9.585 ( -0.905 1.567 -11.228) 11.373 10.014 ( 0.715 -1.238 3.828) 4.086 10.051 ( -3.660 6.339 9.350) 11.875 10.121 ( -1.334 2.310 -6.252) 6.797 10.211 ( -3.254 5.637 -6.763) 9.386 10.622 ( -3.580 6.201 9.921) 12.235 10.736 ( -6.174 10.693 8.447) 14.960 10.820 ( -2.192 3.797 -7.864) 9.004 10.873 ( -5.373 9.306 -6.029) 12.322 11.098 ( -0.396 0.686 7.404) 7.447 11.291 ( 0.246 -0.426 -9.882) 9.894 11.354 ( -0.411 0.712 10.487) 10.520 11.443 ( -2.225 3.854 1.841) 4.816 11.640 ( 4.470 -7.742 5.955) 10.741 11.785 ( 1.972 -3.416 -6.313) 7.444 12.002 ( -1.180 2.043 3.627) 4.327 12.051 ( 4.181 -7.242 7.035) 10.928 12.152 ( -2.649 4.588 -10.220) 11.512 12.270 ( 4.243 -7.349 -14.818) 17.075 12.818 ( 1.425 -2.468 5.568) 6.255 12.906 ( 3.901 -6.757 5.478) 9.533 12.961 ( -0.394 0.682 -8.793) 8.829 12.977 ( 2.615 -4.529 -0.994) 5.324 13.258 ( 0.383 -0.663 -0.736) 1.062 13.279 ( -0.574 0.995 -2.159) 2.445 13.446 ( 1.405 -2.434 1.656) 3.262 13.486 ( 1.122 -1.944 -2.923) 3.685 13.789 ( 6.613 -11.454 11.660) 17.632 14.015 ( 6.548 -11.341 -11.807) 17.633 14.079 ( -1.745 3.023 4.387) 5.606 14.149 ( -1.398 2.422 -3.079) 4.159 14.639 ( -1.097 1.900 6.332) 6.701 14.734 ( -2.624 4.544 -3.449) 6.279 14.805 ( -1.274 2.207 7.203) 7.641 14.950 ( -4.585 7.942 -7.717) 11.985 15.221 ( 0.733 -1.269 2.609) 2.993 15.306 ( 0.402 -0.696 -6.502) 6.552 15.899 ( -1.564 2.708 10.614) 11.065 16.017 ( -5.105 8.841 -0.327) 10.215 16.497 ( 1.815 -3.144 10.016) 10.653 16.628 ( 0.438 -0.758 4.890) 4.967 16.664 ( 0.768 -1.330 -7.621) 7.774 16.766 ( 0.334 -0.579 -9.527) 9.550 17.048 ( 1.054 -1.825 4.979) 5.407 17.136 ( -0.822 1.423 -3.354) 3.735 17.228 ( -0.723 1.252 5.589) 5.773 17.328 ( -2.952 5.113 -4.820) 7.622 17.547 ( 1.088 -1.884 6.570) 6.921 17.736 ( 0.922 -1.597 -13.957) 14.078 18.981 ( 0.879 -1.522 3.014) 3.489 19.035 ( -0.336 0.583 -3.004) 3.079 19.583 ( -0.577 1.000 7.590) 7.677 19.627 ( 0.790 -1.368 2.304) 2.793 19.653 ( 0.070 -0.122 -0.307) 0.337 19.728 ( -0.287 0.498 -7.374) 7.396 19.981 ( 0.219 -0.379 16.347) 16.353 20.268 ( 0.569 -0.985 -13.384) 13.432 21.935 ( -3.348 5.799 1.246) 6.811 21.959 ( -3.415 5.915 -1.210) 6.936 22.708 ( 1.748 -3.028 4.006) 5.317 22.784 ( 1.860 -3.221 -3.861) 5.361 22.974 ( 0.629 -1.090 2.253) 2.581 23.020 ( -0.024 0.042 -2.501) 2.501 ======================= Grid point 291 (44/48) ======================= q-point: ( 0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( 13.383 23.181 19.193) 32.937 3.176 ( 16.825 29.142 10.376) 35.214 3.439 ( 12.130 21.010 -16.875) 29.552 3.513 ( 9.947 17.229 -19.989) 28.201 4.533 ( 6.330 10.964 11.011) 16.779 4.648 ( 2.858 4.951 -0.812) 5.774 5.367 ( 1.987 3.441 2.357) 4.620 5.407 ( -0.550 -0.952 -1.670) 1.999 5.891 ( -3.007 -5.209 5.839) 8.383 6.026 ( -0.226 -0.392 -7.412) 7.426 6.351 ( -7.098 -12.294 12.654) 19.017 6.476 ( 7.796 13.503 7.326) 17.227 6.609 ( -7.575 -13.121 -13.534) 20.315 6.686 ( 8.054 13.949 -15.080) 22.065 6.928 ( -2.712 -4.697 8.152) 9.791 7.094 ( -1.787 -3.095 -8.723) 9.427 7.430 ( 3.222 5.580 9.847) 11.768 7.565 ( 2.678 4.639 -4.531) 7.016 7.595 ( -3.649 -6.319 12.436) 14.419 7.880 ( -3.885 -6.729 -15.264) 17.128 8.098 ( 2.504 4.337 6.643) 8.319 8.315 ( 3.867 6.697 -16.415) 18.145 8.555 ( 0.672 1.164 16.132) 16.188 8.768 ( -6.801 -11.779 14.851) 20.138 8.850 ( -0.362 -0.627 -13.943) 13.962 9.055 ( -3.593 -6.223 -15.612) 17.187 9.880 ( 3.104 5.376 11.826) 13.356 10.016 ( 4.015 6.954 -2.606) 8.442 10.067 ( -5.222 -9.044 6.133) 12.111 10.127 ( -1.653 -2.863 -0.155) 3.310 10.472 ( -3.033 -5.253 6.478) 8.874 10.542 ( -1.107 -1.917 0.101) 2.216 10.750 ( -6.675 -11.562 3.505) 13.803 10.768 ( -8.710 -15.086 1.380) 17.474 10.955 ( -1.482 -2.566 11.207) 11.592 10.970 ( -1.973 -3.418 0.831) 4.033 11.070 ( 1.514 2.622 -7.853) 8.416 11.280 ( 0.360 0.624 -18.606) 18.620 11.578 ( 3.106 5.379 4.705) 7.792 11.691 ( 2.591 4.488 -6.994) 8.705 11.703 ( -3.363 -5.825 8.868) 11.130 11.919 ( -4.009 -6.943 -11.035) 13.640 12.288 ( -4.878 -8.448 1.060) 9.813 12.290 ( -6.304 -10.919 4.517) 13.393 12.317 ( -4.875 -8.444 -2.049) 9.964 12.398 ( -4.904 -8.493 -5.651) 11.319 12.685 ( -2.901 -5.025 6.445) 8.673 12.803 ( -2.152 -3.728 -5.026) 6.617 12.884 ( 0.331 0.573 5.521) 5.560 12.982 ( 0.627 1.086 -2.621) 2.905 13.310 ( -0.027 -0.047 4.526) 4.527 13.316 ( -2.713 -4.700 5.571) 7.778 13.395 ( -0.873 -1.511 -3.911) 4.282 13.409 ( -1.859 -3.219 -2.688) 4.587 13.939 ( -3.589 -6.217 -2.296) 7.537 13.958 ( -4.532 -7.849 -4.585) 10.157 14.217 ( -0.166 -0.288 2.227) 2.252 14.250 ( -0.883 -1.530 -1.288) 2.187 14.667 ( 1.962 3.399 6.554) 7.639 14.798 ( 2.472 4.282 -6.794) 8.402 14.805 ( -0.375 -0.650 7.055) 7.095 14.933 ( 1.675 2.902 -6.136) 6.991 15.123 ( 0.871 1.509 6.086) 6.330 15.259 ( 0.532 0.922 -8.243) 8.311 15.591 ( 6.939 12.019 9.693) 16.928 15.723 ( 7.975 13.813 -3.597) 16.351 16.295 ( 5.785 10.020 3.730) 12.157 16.368 ( 6.162 10.673 -3.800) 12.897 16.617 ( -0.855 -1.481 11.344) 11.472 16.820 ( -0.652 -1.129 -9.854) 9.940 16.967 ( 0.557 0.965 4.487) 4.624 17.072 ( 1.226 2.123 -4.106) 4.782 17.492 ( -3.728 -6.456 3.257) 8.135 17.580 ( -1.132 -1.961 5.542) 5.987 17.625 ( -2.271 -3.933 -11.268) 12.149 17.679 ( 0.455 0.788 -4.526) 4.617 18.933 ( 0.752 1.303 2.765) 3.148 18.984 ( 1.515 2.624 -2.571) 3.974 19.255 ( 5.643 9.774 1.454) 11.380 19.285 ( 5.860 10.150 -1.694) 11.842 19.559 ( 1.663 2.881 9.187) 9.771 19.698 ( 1.176 2.037 -5.690) 6.157 20.154 ( -4.001 -6.930 16.325) 18.181 20.440 ( -4.220 -7.309 -13.224) 15.688 21.830 ( 4.134 7.160 0.753) 8.302 21.844 ( 4.298 7.445 -0.717) 8.626 22.528 ( 2.153 3.729 2.539) 4.998 22.583 ( 1.732 3.000 -3.243) 4.745 23.070 ( -0.438 -0.758 7.355) 7.407 23.210 ( -2.455 -4.252 -7.315) 8.810 ======================= Grid point 292 (45/48) ======================= q-point: ( 0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.570 ( 14.618 17.551 12.907) 26.236 3.713 ( 15.377 23.211 3.223) 28.029 3.830 ( 12.195 15.467 -10.605) 22.370 3.867 ( 14.659 14.847 -10.632) 23.418 4.592 ( -2.618 -2.239 5.566) 6.546 4.659 ( -3.743 -1.826 -0.818) 4.244 5.322 ( -4.457 -5.903 4.641) 8.732 5.411 ( -1.226 0.926 -4.269) 4.537 5.760 ( -6.594 -5.399 8.982) 12.381 5.961 ( -6.256 -0.206 -11.038) 12.689 6.131 ( -2.001 -12.190 10.808) 16.414 6.368 ( -4.308 -10.526 -12.161) 16.650 6.689 ( 2.274 7.045 7.701) 10.682 6.806 ( -3.018 4.716 0.648) 5.636 6.910 ( 2.207 -3.306 2.541) 4.718 7.048 ( -0.011 -5.009 -7.973) 9.416 7.508 ( 2.310 7.053 8.268) 11.110 7.611 ( 6.298 -1.448 6.547) 9.200 7.630 ( 2.385 4.549 -2.106) 5.552 7.857 ( 6.968 -2.051 -15.857) 17.442 8.194 ( 1.815 0.232 4.631) 4.980 8.401 ( 0.632 -1.604 -15.344) 15.441 8.551 ( -1.824 -2.139 13.505) 13.794 8.725 ( 7.328 6.715 14.923) 17.931 8.810 ( -1.738 -6.344 -11.254) 13.035 9.076 ( 6.304 9.427 -19.588) 22.634 9.751 ( -11.660 -16.117 11.223) 22.840 9.912 ( -11.187 -12.907 -2.774) 17.304 9.969 ( 1.007 2.597 10.754) 11.109 10.162 ( 0.316 7.676 -5.888) 9.679 10.408 ( -5.370 5.454 4.641) 8.951 10.456 ( -7.804 4.011 0.243) 8.778 10.557 ( -0.592 -2.680 6.067) 6.659 10.681 ( 1.695 -2.270 -4.682) 5.472 10.914 ( 0.765 2.391 12.930) 13.171 11.015 ( 5.652 -0.644 9.370) 10.962 11.187 ( 5.019 4.415 -7.943) 10.381 11.293 ( 0.597 -0.523 -8.725) 8.762 11.528 ( -14.594 2.876 1.748) 14.977 11.611 ( -9.138 4.322 -3.504) 10.698 11.754 ( 0.839 -0.092 -0.777) 1.148 11.806 ( -0.549 -4.800 -4.401) 6.535 12.024 ( -12.133 -7.307 6.841) 15.729 12.149 ( -4.034 -8.337 1.882) 9.451 12.208 ( -4.175 -7.886 -10.120) 13.491 12.222 ( 0.008 -6.645 -6.921) 9.595 12.622 ( 4.957 -9.721 6.092) 12.497 12.756 ( 3.013 -4.672 -6.596) 8.626 12.868 ( -0.373 -4.860 7.473) 8.922 13.003 ( 0.750 -0.842 -3.955) 4.113 13.253 ( -1.092 -0.069 4.769) 4.893 13.316 ( -0.936 0.802 1.330) 1.813 13.383 ( 2.741 -1.612 -1.485) 3.509 13.399 ( 1.920 -2.321 -1.150) 3.224 13.766 ( -4.904 -10.527 0.260) 11.616 13.859 ( -0.061 -6.927 -8.232) 10.759 14.178 ( -2.635 -2.594 1.967) 4.188 14.210 ( -1.335 -2.272 -1.347) 2.960 14.722 ( -0.608 4.791 7.782) 9.159 14.774 ( -3.033 5.218 6.671) 8.996 14.898 ( 2.039 2.210 -2.925) 4.195 14.984 ( 0.259 6.155 -8.015) 10.109 15.163 ( 3.191 -1.001 3.033) 4.514 15.272 ( 0.511 -0.101 -8.172) 8.188 15.808 ( 6.131 9.475 13.246) 17.402 15.979 ( 6.536 13.489 -2.984) 15.283 16.431 ( 3.239 3.503 4.491) 6.552 16.536 ( 1.941 5.600 -2.091) 6.284 16.603 ( 2.682 -1.032 6.596) 7.195 16.789 ( -1.379 -2.009 -9.532) 9.839 16.986 ( 1.447 -0.260 5.159) 5.364 17.112 ( 1.181 2.092 -5.630) 6.121 17.367 ( -5.596 -1.837 5.956) 8.376 17.504 ( -5.856 0.951 -3.595) 6.937 17.563 ( -0.807 -4.691 0.903) 4.845 17.697 ( 2.002 -2.946 -8.928) 9.612 18.946 ( 0.713 -0.725 4.345) 4.463 19.022 ( 0.755 1.505 -3.736) 4.098 19.429 ( 5.626 6.551 2.590) 9.015 19.475 ( 5.960 7.934 -2.062) 10.135 19.617 ( 2.278 1.418 7.212) 7.695 19.737 ( 1.007 1.432 -5.131) 5.422 20.044 ( -3.010 -3.941 15.397) 16.176 20.322 ( -3.014 -4.594 -13.148) 14.250 21.968 ( 2.461 9.372 1.130) 9.756 21.990 ( 2.640 9.900 -1.067) 10.301 22.591 ( 3.238 -0.301 2.284) 3.974 22.633 ( 2.769 0.084 -1.920) 3.370 23.033 ( -1.692 -2.891 3.619) 4.931 23.109 ( -3.767 -4.885 -4.195) 7.460 ======================= Grid point 293 (46/48) ======================= q-point: ( 0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.911 ( 7.909 9.878 7.701) 14.814 4.046 ( 5.723 9.093 -5.383) 12.017 4.161 ( 11.378 7.987 -0.547) 13.912 4.210 ( 10.553 8.561 -4.992) 14.477 4.461 ( -7.863 -3.519 3.310) 9.228 4.519 ( -8.708 -1.686 -2.146) 9.126 5.185 ( -2.812 -5.734 9.556) 11.494 5.365 ( -3.835 1.101 -7.818) 8.778 5.602 ( -5.747 -1.529 10.715) 12.254 5.856 ( -7.006 4.031 -14.238) 16.372 6.063 ( 5.834 -11.218 11.015) 16.770 6.278 ( 3.476 -9.004 -9.664) 13.658 6.722 ( -2.108 3.378 8.209) 9.124 6.799 ( -1.358 2.373 2.474) 3.687 6.871 ( -2.268 -1.306 3.215) 4.145 7.012 ( -0.058 -1.641 -9.593) 9.733 7.580 ( -0.102 3.070 6.425) 7.121 7.668 ( -0.527 4.501 -2.623) 5.237 7.811 ( 11.274 0.016 4.281) 12.060 8.022 ( 10.194 -0.037 -15.548) 18.592 8.151 ( 2.656 -10.463 4.580) 11.726 8.353 ( 2.735 -10.188 -14.661) 18.062 8.451 ( -0.957 -12.152 10.733) 16.242 8.665 ( -0.338 -13.530 -11.273) 17.614 9.044 ( 9.780 17.688 15.890) 25.710 9.331 ( 4.580 14.707 -11.987) 19.518 9.464 ( -9.970 -6.409 12.394) 17.149 9.640 ( -7.201 -6.624 -4.650) 10.833 10.009 ( 1.289 2.622 7.479) 8.029 10.155 ( -3.201 5.996 -5.588) 8.799 10.304 ( -13.832 3.939 0.318) 14.385 10.348 ( -7.354 3.770 -3.113) 8.831 10.704 ( 5.238 16.018 9.774) 19.482 10.812 ( 8.070 9.157 -0.203) 12.207 10.976 ( -0.569 3.855 13.082) 13.650 11.078 ( -1.617 1.280 4.465) 4.918 11.193 ( -15.798 4.684 -1.901) 16.587 11.267 ( 0.659 -0.117 -4.162) 4.215 11.381 ( -0.038 4.850 1.236) 5.005 11.527 ( -4.438 4.600 -6.300) 8.975 11.586 ( -9.139 -8.244 3.234) 12.726 11.726 ( -2.899 -7.476 -8.361) 11.585 11.891 ( 3.134 -8.409 6.818) 11.270 12.048 ( -0.413 -0.485 4.432) 4.477 12.112 ( 2.587 -10.334 -12.003) 16.048 12.212 ( 0.293 0.381 -10.041) 10.053 12.658 ( 10.670 -11.480 7.080) 17.197 12.778 ( 0.186 -7.234 7.151) 10.173 12.824 ( 7.019 -5.932 -7.046) 11.580 12.973 ( -1.458 -3.388 -9.991) 10.650 13.258 ( -0.122 1.471 5.171) 5.378 13.312 ( -1.215 2.160 -0.298) 2.496 13.406 ( 1.120 -1.580 1.292) 2.328 13.431 ( 3.623 -1.040 -1.362) 4.008 13.610 ( -0.211 -11.036 7.349) 13.261 13.815 ( 3.730 -8.713 -12.577) 15.748 14.119 ( -1.436 -1.244 2.966) 3.522 14.172 ( -0.688 -1.352 -2.537) 2.957 14.722 ( -3.831 5.589 9.537) 11.699 14.823 ( 0.445 6.281 6.892) 9.335 14.889 ( -5.473 4.544 -0.837) 7.162 15.065 ( 0.199 6.536 -11.344) 13.093 15.186 ( 1.265 -2.139 1.729) 3.027 15.276 ( 1.350 -2.043 -7.715) 8.094 15.952 ( 1.270 6.250 16.640) 17.821 16.174 ( 0.431 12.771 -3.275) 13.191 16.453 ( -0.983 -1.777 9.939) 10.144 16.580 ( 3.750 -0.022 2.472) 4.492 16.650 ( -0.009 -1.110 -7.188) 7.273 16.749 ( 0.072 -1.956 -9.978) 10.168 17.009 ( 1.639 -0.930 6.108) 6.393 17.148 ( 0.786 1.417 -6.741) 6.933 17.286 ( -3.672 1.571 8.400) 9.301 17.439 ( -4.402 3.966 -6.725) 8.963 17.507 ( -0.007 -4.224 7.167) 8.319 17.693 ( 1.504 -3.217 -11.704) 12.231 18.948 ( 0.971 -1.655 5.145) 5.491 19.039 ( 0.262 0.416 -4.590) 4.617 19.561 ( 4.389 3.343 4.219) 6.945 19.611 ( 1.967 2.783 2.029) 3.966 19.644 ( 0.921 0.266 1.135) 1.486 19.744 ( -0.915 -0.079 -5.944) 6.015 19.982 ( -1.201 -1.312 15.567) 15.668 20.256 ( -0.910 -2.065 -12.765) 12.963 22.068 ( -2.401 10.138 1.505) 10.526 22.097 ( -2.459 10.745 -1.429) 11.115 22.621 ( 3.436 -4.848 3.364) 6.829 22.682 ( 4.802 -4.004 -2.920) 6.901 22.966 ( -1.757 -3.278 2.875) 4.701 23.027 ( -1.560 -1.560 -3.393) 4.047 ======================= Grid point 303 (47/48) ======================= q-point: ( 0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.883 ( 8.390 14.532 8.651) 18.879 4.052 ( 5.703 9.878 -8.729) 14.363 4.089 ( 7.880 13.649 2.197) 15.913 4.163 ( 6.888 11.931 -5.527) 14.844 4.512 ( -2.765 -4.789 4.824) 7.339 4.589 ( -2.141 -3.708 -2.415) 4.916 5.176 ( -4.557 -7.893 10.699) 14.054 5.391 ( -1.558 -2.699 -11.658) 12.067 5.692 ( -1.384 -2.397 13.612) 13.891 5.924 ( -4.456 -7.718 13.074) 15.822 5.963 ( -0.016 -0.028 -13.907) 13.907 6.184 ( -4.207 -7.287 -12.223) 14.839 6.779 ( 1.039 1.799 7.283) 7.573 6.834 ( -0.263 -0.456 6.996) 7.016 6.897 ( 0.214 0.370 -3.746) 3.770 6.969 ( -1.433 -2.482 -5.418) 6.129 7.602 ( 1.733 3.002 7.662) 8.410 7.677 ( 5.015 8.686 7.124) 12.302 7.719 ( 2.527 4.377 -5.266) 7.299 7.911 ( 4.534 7.854 -15.585) 18.032 8.085 ( -4.451 -7.709 1.908) 9.103 8.284 ( -4.469 -7.740 -17.526) 19.674 8.384 ( -8.397 -14.544 11.004) 20.078 8.592 ( -8.716 -15.097 -10.543) 20.373 9.055 ( 12.169 21.077 16.963) 29.666 9.367 ( 8.545 14.800 -13.850) 21.998 9.506 ( -4.309 -7.463 12.340) 15.051 9.671 ( -5.330 -9.232 -4.624) 11.620 10.009 ( 2.579 4.467 10.580) 11.770 10.226 ( 0.375 0.649 -10.304) 10.331 10.432 ( -2.868 -4.968 4.679) 7.402 10.575 ( -3.781 -6.549 -10.118) 12.631 10.692 ( 7.944 13.759 7.655) 17.635 10.749 ( 10.383 17.984 3.343) 21.034 10.949 ( 1.236 2.141 15.341) 15.539 11.053 ( 3.479 6.025 19.474) 20.679 11.270 ( -0.728 -1.261 -5.198) 5.398 11.323 ( 4.535 7.856 -8.214) 12.237 11.514 ( -2.419 -4.190 -2.525) 5.457 11.626 ( -2.827 -4.896 3.325) 6.559 11.648 ( -4.188 -7.254 -8.463) 11.907 11.733 ( -2.947 -5.104 -6.521) 8.790 11.871 ( -5.617 -9.729 4.643) 12.155 11.994 ( -3.783 -6.552 4.307) 8.706 12.058 ( -4.329 -7.499 -12.314) 15.054 12.138 ( -1.665 -2.884 -11.701) 12.165 12.467 ( -1.333 -2.309 12.773) 13.048 12.709 ( 1.037 1.796 -12.269) 12.443 12.750 ( -4.088 -7.080 9.804) 12.766 12.965 ( -2.212 -3.831 -10.504) 11.397 13.274 ( 1.299 2.251 9.532) 9.880 13.346 ( 0.741 1.283 3.026) 3.370 13.372 ( 0.404 0.700 -1.257) 1.494 13.390 ( 0.349 0.605 -1.490) 1.646 13.568 ( -5.290 -9.162 3.311) 11.085 13.744 ( -2.575 -4.461 -12.932) 13.920 14.119 ( -1.765 -3.057 2.521) 4.338 14.167 ( -1.174 -2.034 -2.365) 3.333 14.813 ( 2.201 3.813 11.282) 12.110 14.833 ( 0.995 1.723 13.123) 13.273 14.990 ( 3.285 5.690 -6.015) 8.908 15.086 ( 2.375 4.114 -13.557) 14.365 15.143 ( -0.343 -0.594 2.740) 2.825 15.252 ( -1.186 -2.054 -9.564) 9.854 15.969 ( 3.840 6.652 19.071) 20.560 16.225 ( 6.670 11.552 -1.951) 13.481 16.485 ( 1.214 2.102 0.741) 2.538 16.535 ( -1.781 -3.085 12.294) 12.800 16.635 ( 1.126 1.951 -11.310) 11.533 16.740 ( -1.758 -3.044 -9.422) 10.056 16.988 ( 0.195 0.338 6.170) 6.183 17.147 ( 0.746 1.293 -8.336) 8.469 17.338 ( -0.396 -0.686 8.859) 8.895 17.467 ( -1.952 -3.382 9.659) 10.419 17.525 ( -0.163 -0.283 -10.599) 10.604 17.647 ( -1.261 -2.185 -9.009) 9.355 18.930 ( -0.457 -0.791 6.092) 6.160 19.038 ( 0.199 0.344 -5.323) 5.337 19.537 ( 2.726 4.722 3.742) 6.613 19.610 ( 3.420 5.923 -3.732) 7.791 19.634 ( 0.059 0.102 6.611) 6.612 19.751 ( -0.126 -0.218 -5.448) 5.454 19.988 ( -1.103 -1.911 15.101) 15.261 20.255 ( -1.362 -2.359 -12.467) 12.761 22.154 ( 5.341 9.251 1.791) 10.832 22.187 ( 5.740 9.941 -1.688) 11.603 22.552 ( -2.113 -3.659 3.010) 5.188 22.607 ( -1.731 -2.998 -2.555) 4.302 22.965 ( -2.056 -3.561 3.270) 5.253 23.034 ( -1.471 -2.547 -3.790) 4.797 ======================= Grid point 304 (48/48) ======================= q-point: ( 0.36 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.065 ( -3.392 5.875 5.131) 8.506 4.168 ( -2.515 4.357 -5.220) 7.249 4.196 ( 1.725 -2.988 1.907) 3.942 4.258 ( 1.178 -2.040 -3.995) 4.638 4.458 ( -1.154 1.999 5.963) 6.394 4.568 ( -2.265 3.923 -5.242) 6.928 5.087 ( 1.882 -3.260 13.116) 13.646 5.354 ( 0.736 -1.275 -14.629) 14.703 5.660 ( -3.721 6.445 15.642) 17.322 5.855 ( 5.679 -9.836 13.818) 17.886 5.958 ( -3.449 5.973 -14.396) 15.963 6.114 ( 4.319 -7.481 -11.332) 14.249 6.784 ( -1.790 3.101 6.345) 7.286 6.840 ( 1.036 -1.795 4.417) 4.879 6.878 ( -2.698 4.673 -1.375) 5.568 6.964 ( 1.915 -3.316 -6.100) 7.202 7.631 ( -1.005 1.740 7.372) 7.641 7.770 ( -3.048 5.280 -6.201) 8.697 7.857 ( -2.427 4.203 6.006) 7.722 7.971 ( 3.622 -6.274 3.463) 8.030 8.067 ( -1.484 2.571 -11.287) 11.670 8.167 ( 7.002 -12.128 5.862) 15.181 8.176 ( 2.990 -5.180 -16.295) 17.358 8.375 ( 7.652 -13.253 -12.130) 19.528 9.329 ( -4.619 8.000 13.895) 16.686 9.420 ( -0.540 0.935 12.840) 12.886 9.514 ( -1.849 3.202 -3.329) 4.975 9.568 ( 0.849 -1.470 -2.007) 2.629 10.135 ( -4.932 8.543 2.087) 10.083 10.266 ( -3.804 6.589 -9.816) 12.419 10.325 ( 1.143 -1.980 1.697) 2.848 10.419 ( -0.601 1.042 -7.160) 7.260 10.849 ( 2.093 -3.626 15.270) 15.834 10.952 ( -3.270 5.664 7.786) 10.168 11.116 ( -3.184 5.514 19.737) 20.738 11.131 ( -2.259 3.913 6.457) 7.881 11.245 ( -0.856 1.483 6.395) 6.620 11.359 ( -7.287 12.621 -7.150) 16.233 11.485 ( -0.320 0.554 -18.260) 18.271 11.517 ( -2.263 3.919 3.463) 5.698 11.580 ( 0.198 -0.343 -2.256) 2.291 11.594 ( 3.536 -6.124 -13.765) 15.475 11.755 ( 1.055 -1.828 6.407) 6.745 11.932 ( 6.841 -11.850 5.960) 14.924 11.963 ( 1.108 -1.919 -13.343) 13.526 12.121 ( 6.738 -11.671 -14.008) 19.438 12.501 ( -0.149 0.259 14.186) 14.189 12.644 ( 3.814 -6.606 10.273) 12.795 12.772 ( -0.916 1.587 -13.915) 14.035 12.892 ( 2.695 -4.668 -14.372) 15.349 13.309 ( -1.908 3.305 11.950) 12.545 13.355 ( -1.131 1.958 1.795) 2.887 13.385 ( 0.521 -0.903 1.863) 2.135 13.419 ( 0.606 -1.050 -1.679) 2.071 13.446 ( 2.986 -5.171 5.341) 8.011 13.700 ( 1.757 -3.044 -15.890) 16.274 14.086 ( 0.805 -1.395 3.004) 3.409 14.145 ( 0.570 -0.987 -3.080) 3.284 14.834 ( -2.705 4.686 13.356) 14.410 14.872 ( -0.208 0.361 14.117) 14.123 15.041 ( -4.836 8.377 -5.678) 11.216 15.140 ( 1.082 -1.874 0.383) 2.198 15.152 ( -0.933 1.617 -15.403) 15.516 15.208 ( 2.591 -4.488 -8.832) 10.240 16.037 ( -1.341 2.322 22.278) 22.438 16.392 ( -4.616 7.996 -4.603) 10.316 16.431 ( -0.566 0.981 12.443) 12.495 16.544 ( 2.568 -4.448 -1.202) 5.275 16.640 ( -0.684 1.185 -9.867) 9.961 16.701 ( 1.741 -3.015 -10.355) 10.924 16.993 ( 0.308 -0.533 6.293) 6.323 17.158 ( 0.039 -0.067 -9.196) 9.196 17.339 ( -1.951 3.379 10.297) 11.011 17.427 ( 2.158 -3.737 10.153) 11.032 17.523 ( -2.490 4.313 -8.955) 10.247 17.623 ( 2.288 -3.963 -10.149) 11.133 18.921 ( 0.495 -0.857 6.578) 6.652 19.041 ( 0.049 -0.085 -5.881) 5.881 19.599 ( -0.361 0.625 4.516) 4.573 19.619 ( -0.038 0.066 5.953) 5.953 19.684 ( -1.196 2.071 -4.273) 4.897 19.733 ( 0.529 -0.916 -5.858) 5.952 19.970 ( 0.104 -0.180 15.219) 15.221 20.232 ( 0.308 -0.534 -12.090) 12.105 22.268 ( -5.612 9.720 2.253) 11.447 22.310 ( -6.052 10.482 -2.124) 12.288 22.493 ( 4.496 -7.787 3.203) 9.545 22.553 ( 4.849 -8.398 -3.053) 10.166 22.927 ( 0.512 -0.887 4.229) 4.351 23.010 ( 0.203 -0.352 -4.406) 4.424 =================== 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 3/54450 10.0 1405.473 1405.473 692.841 0.000 0.000 -0.000 3/54450 20.0 2404.371 2404.371 1748.050 0.000 0.000 -0.000 3/54450 30.0 1261.379 1261.379 1114.269 0.000 0.000 -0.000 3/54450 40.0 610.916 610.916 576.896 0.000 0.000 -0.000 3/54450 50.0 326.392 326.392 316.677 0.000 0.000 -0.000 3/54450 60.0 193.812 193.812 188.986 0.000 -0.000 -0.000 3/54450 70.0 125.357 125.357 121.701 0.000 -0.000 -0.000 3/54450 80.0 86.670 86.670 83.593 0.000 -0.000 -0.000 3/54450 90.0 63.173 63.173 60.574 0.000 -0.000 -0.000 3/54450 100.0 48.059 48.059 45.880 0.000 -0.000 -0.000 3/54450 110.0 37.872 37.872 36.046 0.000 -0.000 -0.000 3/54450 120.0 30.732 30.732 29.196 0.000 -0.000 -0.000 3/54450 130.0 25.559 25.559 24.254 0.000 -0.000 -0.000 3/54450 140.0 21.701 21.701 20.582 0.000 -0.000 -0.000 3/54450 150.0 18.751 18.751 17.781 0.000 -0.000 -0.000 3/54450 160.0 16.444 16.444 15.595 0.000 -0.000 -0.000 3/54450 170.0 14.606 14.606 13.855 0.000 -0.000 -0.000 3/54450 180.0 13.115 13.115 12.445 0.000 -0.000 -0.000 3/54450 190.0 11.887 11.887 11.285 0.000 -0.000 -0.000 3/54450 200.0 10.863 10.863 10.317 0.000 -0.000 -0.000 3/54450 210.0 9.997 9.997 9.499 0.000 -0.000 -0.000 3/54450 220.0 9.258 9.258 8.801 0.000 -0.000 -0.000 3/54450 230.0 8.620 8.620 8.199 0.000 -0.000 -0.000 3/54450 240.0 8.065 8.065 7.674 0.000 -0.000 -0.000 3/54450 250.0 7.578 7.578 7.214 0.000 -0.000 -0.000 3/54450 260.0 7.148 7.148 6.808 0.000 -0.000 -0.000 3/54450 270.0 6.765 6.765 6.446 0.000 -0.000 -0.000 3/54450 280.0 6.422 6.422 6.121 0.000 -0.000 -0.000 3/54450 290.0 6.113 6.113 5.830 0.000 -0.000 -0.000 3/54450 300.0 5.834 5.834 5.566 0.000 -0.000 -0.000 3/54450 310.0 5.580 5.580 5.325 0.000 -0.000 -0.000 3/54450 320.0 5.349 5.349 5.106 0.000 -0.000 -0.000 3/54450 330.0 5.136 5.136 4.905 0.000 -0.000 -0.000 3/54450 340.0 4.941 4.941 4.720 0.000 -0.000 -0.000 3/54450 350.0 4.761 4.761 4.549 0.000 -0.000 -0.000 3/54450 360.0 4.594 4.594 4.391 0.000 -0.000 -0.000 3/54450 370.0 4.438 4.438 4.244 0.000 -0.000 -0.000 3/54450 380.0 4.294 4.294 4.107 0.000 -0.000 -0.000 3/54450 390.0 4.159 4.159 3.979 0.000 -0.000 -0.000 3/54450 400.0 4.033 4.033 3.859 0.000 -0.000 -0.000 3/54450 410.0 3.914 3.914 3.746 0.000 -0.000 -0.000 3/54450 420.0 3.803 3.803 3.641 0.000 -0.000 -0.000 3/54450 430.0 3.698 3.698 3.541 0.000 -0.000 -0.000 3/54450 440.0 3.599 3.599 3.447 0.000 -0.000 -0.000 3/54450 450.0 3.506 3.506 3.358 0.000 -0.000 -0.000 3/54450 460.0 3.417 3.417 3.274 0.000 -0.000 -0.000 3/54450 470.0 3.333 3.333 3.194 0.000 -0.000 -0.000 3/54450 480.0 3.253 3.253 3.118 0.000 -0.000 -0.000 3/54450 490.0 3.178 3.178 3.046 0.000 -0.000 -0.000 3/54450 500.0 3.105 3.105 2.977 0.000 -0.000 -0.000 3/54450 510.0 3.036 3.036 2.911 0.000 -0.000 -0.000 3/54450 520.0 2.971 2.971 2.849 0.000 -0.000 -0.000 3/54450 530.0 2.908 2.908 2.789 0.000 -0.000 -0.000 3/54450 540.0 2.848 2.848 2.731 0.000 -0.000 -0.000 3/54450 550.0 2.790 2.790 2.676 0.000 -0.000 -0.000 3/54450 560.0 2.735 2.735 2.624 0.000 -0.000 -0.000 3/54450 570.0 2.682 2.682 2.573 0.000 -0.000 -0.000 3/54450 580.0 2.631 2.631 2.525 0.000 -0.000 -0.000 3/54450 590.0 2.582 2.582 2.478 0.000 -0.000 -0.000 3/54450 600.0 2.535 2.535 2.433 0.000 -0.000 -0.000 3/54450 610.0 2.490 2.490 2.390 0.000 -0.000 -0.000 3/54450 620.0 2.446 2.446 2.348 0.000 -0.000 -0.000 3/54450 630.0 2.404 2.404 2.308 0.000 -0.000 -0.000 3/54450 640.0 2.363 2.363 2.269 0.000 -0.000 -0.000 3/54450 650.0 2.324 2.324 2.231 0.000 -0.000 -0.000 3/54450 660.0 2.286 2.286 2.195 0.000 -0.000 -0.000 3/54450 670.0 2.249 2.249 2.160 0.000 -0.000 -0.000 3/54450 680.0 2.214 2.214 2.126 0.000 -0.000 -0.000 3/54450 690.0 2.180 2.180 2.093 0.000 -0.000 -0.000 3/54450 700.0 2.146 2.146 2.061 0.000 -0.000 -0.000 3/54450 710.0 2.114 2.114 2.031 0.000 -0.000 -0.000 3/54450 720.0 2.083 2.083 2.001 0.000 -0.000 -0.000 3/54450 730.0 2.053 2.053 1.972 0.000 -0.000 -0.000 3/54450 740.0 2.023 2.023 1.944 0.000 -0.000 -0.000 3/54450 750.0 1.995 1.995 1.916 0.000 -0.000 -0.000 3/54450 760.0 1.967 1.967 1.890 0.000 -0.000 -0.000 3/54450 770.0 1.940 1.940 1.864 0.000 -0.000 -0.000 3/54450 780.0 1.914 1.914 1.839 0.000 -0.000 -0.000 3/54450 790.0 1.888 1.888 1.814 0.000 -0.000 -0.000 3/54450 800.0 1.863 1.863 1.791 0.000 -0.000 -0.000 3/54450 810.0 1.839 1.839 1.767 0.000 -0.000 -0.000 3/54450 820.0 1.816 1.816 1.745 0.000 -0.000 -0.000 3/54450 830.0 1.793 1.793 1.723 0.000 -0.000 -0.000 3/54450 840.0 1.770 1.770 1.702 0.000 -0.000 -0.000 3/54450 850.0 1.749 1.749 1.681 0.000 -0.000 -0.000 3/54450 860.0 1.727 1.727 1.660 0.000 -0.000 -0.000 3/54450 870.0 1.707 1.707 1.641 0.000 -0.000 -0.000 3/54450 880.0 1.686 1.686 1.621 0.000 -0.000 -0.000 3/54450 890.0 1.667 1.667 1.602 0.000 -0.000 -0.000 3/54450 900.0 1.648 1.648 1.584 0.000 -0.000 -0.000 3/54450 910.0 1.629 1.629 1.566 0.000 -0.000 -0.000 3/54450 920.0 1.610 1.610 1.548 0.000 -0.000 -0.000 3/54450 930.0 1.592 1.592 1.531 0.000 -0.000 -0.000 3/54450 940.0 1.575 1.575 1.514 0.000 -0.000 -0.000 3/54450 950.0 1.558 1.558 1.498 0.000 -0.000 -0.000 3/54450 960.0 1.541 1.541 1.482 0.000 -0.000 -0.000 3/54450 970.0 1.524 1.524 1.466 0.000 -0.000 -0.000 3/54450 980.0 1.508 1.508 1.450 0.000 -0.000 -0.000 3/54450 990.0 1.493 1.493 1.435 0.000 -0.000 -0.000 3/54450 1000.0 1.477 1.477 1.421 0.000 -0.000 -0.000 3/54450 Thermal conductivity related properties were written into "kappa-m11115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:22:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|