----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:49:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.180974465554964 0.000000000000000 0.000000000000000 b -2.590487232777482 4.486855503529104 0.000000000000000 c 0.000000000000000 0.000000000000000 14.038049330000000 Atomic positions (fractional): *1 O 0.31978366362903 0.34933877525301 0.91564074882180 15.999 2 O 0.65066122474699 0.97044488837602 0.91564074882180 15.999 3 O 0.02955511162398 0.68021633637097 0.91564074882180 15.999 4 O 0.34933877525301 0.31978366362903 0.58435925117820 15.999 5 O 0.97044488837602 0.65066122474699 0.58435925117820 15.999 6 O 0.68021633637097 0.02955511162398 0.58435925117820 15.999 7 O 0.68021633637097 0.65066122474699 0.08435925117821 15.999 8 O 0.34933877525301 0.02955511162398 0.08435925117821 15.999 9 O 0.97044488837602 0.31978366362903 0.08435925117821 15.999 10 O 0.65066122474699 0.68021633637097 0.41564074882180 15.999 11 O 0.02955511162398 0.34933877525301 0.41564074882180 15.999 12 O 0.31978366362903 0.97044488837602 0.41564074882180 15.999 *13 O 0.28986302416920 0.28986302416920 0.25000000000000 15.999 14 O 0.71013697583080 0.00000000000000 0.25000000000000 15.999 15 O 0.00000000000000 0.71013697583080 0.25000000000000 15.999 16 O 0.71013697583080 0.71013697583080 0.75000000000000 15.999 17 O 0.28986302416920 0.00000000000000 0.75000000000000 15.999 18 O 0.00000000000000 0.28986302416920 0.75000000000000 15.999 *19 Mg 0.33333333333333 0.66666666666667 0.51676402432158 24.305 20 Mg 0.66666666666667 0.33333333333333 0.98323597567842 24.305 21 Mg 0.66666666666667 0.33333333333333 0.48323597567842 24.305 22 Mg 0.33333333333333 0.66666666666667 0.01676402432158 24.305 *23 Mg 0.33333333333333 0.66666666666667 0.30827745856762 24.305 24 Mg 0.66666666666667 0.33333333333333 0.19172254143238 24.305 25 Mg 0.66666666666667 0.33333333333333 0.69172254143238 24.305 26 Mg 0.33333333333333 0.66666666666667 0.80827745856762 24.305 *27 Nb 0.00000000000000 0.00000000000000 0.35815173404242 92.906 28 Nb 0.00000000000000 0.00000000000000 0.14184826595759 92.906 29 Nb 0.00000000000000 0.00000000000000 0.64184826595759 92.906 30 Nb 0.00000000000000 0.00000000000000 0.85815173404241 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.180974465554964 0.000000000000000 0.000000000000000 b -2.590487232777482 4.486855503529104 0.000000000000000 c 0.000000000000000 0.000000000000000 14.038049330000000 Atomic positions (fractional): *1 O 0.31978366362903 0.34933877525301 0.91564074882180 15.999 > 1 2 O 0.65066122474699 0.97044488837602 0.91564074882180 15.999 > 2 3 O 0.02955511162398 0.68021633637097 0.91564074882180 15.999 > 3 4 O 0.34933877525301 0.31978366362903 0.58435925117820 15.999 > 4 5 O 0.97044488837602 0.65066122474699 0.58435925117820 15.999 > 5 6 O 0.68021633637097 0.02955511162398 0.58435925117820 15.999 > 6 7 O 0.68021633637097 0.65066122474699 0.08435925117821 15.999 > 7 8 O 0.34933877525301 0.02955511162398 0.08435925117821 15.999 > 8 9 O 0.97044488837602 0.31978366362903 0.08435925117821 15.999 > 9 10 O 0.65066122474699 0.68021633637097 0.41564074882180 15.999 > 10 11 O 0.02955511162398 0.34933877525301 0.41564074882180 15.999 > 11 12 O 0.31978366362903 0.97044488837602 0.41564074882180 15.999 > 12 *13 O 0.28986302416920 0.28986302416920 0.25000000000000 15.999 > 13 14 O 0.71013697583080 0.00000000000000 0.25000000000000 15.999 > 14 15 O 0.00000000000000 0.71013697583080 0.25000000000000 15.999 > 15 16 O 0.71013697583080 0.71013697583080 0.75000000000000 15.999 > 16 17 O 0.28986302416920 0.00000000000000 0.75000000000000 15.999 > 17 18 O 0.00000000000000 0.28986302416920 0.75000000000000 15.999 > 18 *19 Mg 0.33333333333333 0.66666666666667 0.51676402432158 24.305 > 19 20 Mg 0.66666666666667 0.33333333333333 0.98323597567842 24.305 > 20 21 Mg 0.66666666666667 0.33333333333333 0.48323597567842 24.305 > 21 22 Mg 0.33333333333333 0.66666666666667 0.01676402432158 24.305 > 22 *23 Mg 0.33333333333333 0.66666666666667 0.30827745856762 24.305 > 23 24 Mg 0.66666666666667 0.33333333333333 0.19172254143238 24.305 > 24 25 Mg 0.66666666666667 0.33333333333333 0.69172254143238 24.305 > 25 26 Mg 0.33333333333333 0.66666666666667 0.80827745856762 24.305 > 26 *27 Nb 0.00000000000000 0.00000000000000 0.35815173404242 92.906 > 27 28 Nb 0.00000000000000 0.00000000000000 0.14184826595759 92.906 > 28 29 Nb 0.00000000000000 0.00000000000000 0.64184826595759 92.906 > 29 30 Nb 0.00000000000000 0.00000000000000 0.85815173404241 92.906 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.361948931109929 0.000000000000000 0.000000000000000 b -5.180974465554964 8.973711007058208 0.000000000000000 c 0.000000000000000 0.000000000000000 14.038049330000000 Atomic positions (fractional): *1 O 0.15989183181451 0.17466938762650 0.91564074882180 15.999 > 1 2 O 0.65989183181451 0.17466938762650 0.91564074882180 15.999 > 1 3 O 0.15989183181451 0.67466938762650 0.91564074882180 15.999 > 1 4 O 0.65989183181451 0.67466938762650 0.91564074882180 15.999 > 1 5 O 0.32533061237350 0.48522244418801 0.91564074882180 15.999 > 2 6 O 0.82533061237350 0.48522244418801 0.91564074882180 15.999 > 2 7 O 0.32533061237350 0.98522244418801 0.91564074882180 15.999 > 2 8 O 0.82533061237350 0.98522244418801 0.91564074882180 15.999 > 2 9 O 0.01477755581199 0.34010816818549 0.91564074882180 15.999 > 3 10 O 0.51477755581199 0.34010816818549 0.91564074882180 15.999 > 3 11 O 0.01477755581199 0.84010816818549 0.91564074882180 15.999 > 3 12 O 0.51477755581199 0.84010816818549 0.91564074882180 15.999 > 3 13 O 0.17466938762650 0.15989183181451 0.58435925117820 15.999 > 4 14 O 0.67466938762650 0.15989183181451 0.58435925117820 15.999 > 4 15 O 0.17466938762650 0.65989183181451 0.58435925117820 15.999 > 4 16 O 0.67466938762650 0.65989183181451 0.58435925117820 15.999 > 4 17 O 0.48522244418801 0.32533061237350 0.58435925117820 15.999 > 5 18 O 0.98522244418801 0.32533061237350 0.58435925117820 15.999 > 5 19 O 0.48522244418801 0.82533061237350 0.58435925117820 15.999 > 5 20 O 0.98522244418801 0.82533061237350 0.58435925117820 15.999 > 5 21 O 0.34010816818549 0.01477755581199 0.58435925117820 15.999 > 6 22 O 0.84010816818549 0.01477755581199 0.58435925117820 15.999 > 6 23 O 0.34010816818549 0.51477755581199 0.58435925117820 15.999 > 6 24 O 0.84010816818549 0.51477755581199 0.58435925117820 15.999 > 6 25 O 0.34010816818549 0.32533061237350 0.08435925117821 15.999 > 7 26 O 0.84010816818549 0.32533061237350 0.08435925117821 15.999 > 7 27 O 0.34010816818549 0.82533061237350 0.08435925117821 15.999 > 7 28 O 0.84010816818549 0.82533061237350 0.08435925117821 15.999 > 7 29 O 0.17466938762650 0.01477755581199 0.08435925117821 15.999 > 8 30 O 0.67466938762650 0.01477755581199 0.08435925117821 15.999 > 8 31 O 0.17466938762650 0.51477755581199 0.08435925117821 15.999 > 8 32 O 0.67466938762650 0.51477755581199 0.08435925117821 15.999 > 8 33 O 0.48522244418801 0.15989183181451 0.08435925117821 15.999 > 9 34 O 0.98522244418801 0.15989183181451 0.08435925117821 15.999 > 9 35 O 0.48522244418801 0.65989183181451 0.08435925117821 15.999 > 9 36 O 0.98522244418801 0.65989183181451 0.08435925117821 15.999 > 9 37 O 0.32533061237350 0.34010816818549 0.41564074882180 15.999 > 10 38 O 0.82533061237350 0.34010816818549 0.41564074882180 15.999 > 10 39 O 0.32533061237350 0.84010816818549 0.41564074882180 15.999 > 10 40 O 0.82533061237350 0.84010816818549 0.41564074882180 15.999 > 10 41 O 0.01477755581199 0.17466938762650 0.41564074882180 15.999 > 11 42 O 0.51477755581199 0.17466938762650 0.41564074882180 15.999 > 11 43 O 0.01477755581199 0.67466938762650 0.41564074882180 15.999 > 11 44 O 0.51477755581199 0.67466938762650 0.41564074882180 15.999 > 11 45 O 0.15989183181451 0.48522244418801 0.41564074882180 15.999 > 12 46 O 0.65989183181451 0.48522244418801 0.41564074882180 15.999 > 12 47 O 0.15989183181451 0.98522244418801 0.41564074882180 15.999 > 12 48 O 0.65989183181451 0.98522244418801 0.41564074882180 15.999 > 12 *49 O 0.14493151208460 0.14493151208460 0.25000000000000 15.999 > 13 50 O 0.64493151208460 0.14493151208460 0.25000000000000 15.999 > 13 51 O 0.14493151208460 0.64493151208460 0.25000000000000 15.999 > 13 52 O 0.64493151208460 0.64493151208460 0.25000000000000 15.999 > 13 53 O 0.35506848791540 0.00000000000000 0.25000000000000 15.999 > 14 54 O 0.85506848791540 0.00000000000000 0.25000000000000 15.999 > 14 55 O 0.35506848791540 0.50000000000000 0.25000000000000 15.999 > 14 56 O 0.85506848791540 0.50000000000000 0.25000000000000 15.999 > 14 57 O 0.00000000000000 0.35506848791540 0.25000000000000 15.999 > 15 58 O 0.50000000000000 0.35506848791540 0.25000000000000 15.999 > 15 59 O 0.00000000000000 0.85506848791540 0.25000000000000 15.999 > 15 60 O 0.50000000000000 0.85506848791540 0.25000000000000 15.999 > 15 61 O 0.35506848791540 0.35506848791540 0.75000000000000 15.999 > 16 62 O 0.85506848791540 0.35506848791540 0.75000000000000 15.999 > 16 63 O 0.35506848791540 0.85506848791540 0.75000000000000 15.999 > 16 64 O 0.85506848791540 0.85506848791540 0.75000000000000 15.999 > 16 65 O 0.14493151208460 0.00000000000000 0.75000000000000 15.999 > 17 66 O 0.64493151208460 0.00000000000000 0.75000000000000 15.999 > 17 67 O 0.14493151208460 0.50000000000000 0.75000000000000 15.999 > 17 68 O 0.64493151208460 0.50000000000000 0.75000000000000 15.999 > 17 69 O 0.00000000000000 0.14493151208460 0.75000000000000 15.999 > 18 70 O 0.50000000000000 0.14493151208460 0.75000000000000 15.999 > 18 71 O 0.00000000000000 0.64493151208460 0.75000000000000 15.999 > 18 72 O 0.50000000000000 0.64493151208460 0.75000000000000 15.999 > 18 *73 Mg 0.16666666666667 0.33333333333333 0.51676402432158 24.305 > 19 74 Mg 0.66666666666667 0.33333333333333 0.51676402432158 24.305 > 19 75 Mg 0.16666666666667 0.83333333333333 0.51676402432158 24.305 > 19 76 Mg 0.66666666666667 0.83333333333333 0.51676402432158 24.305 > 19 77 Mg 0.33333333333333 0.16666666666667 0.98323597567842 24.305 > 20 78 Mg 0.83333333333333 0.16666666666667 0.98323597567842 24.305 > 20 79 Mg 0.33333333333333 0.66666666666667 0.98323597567842 24.305 > 20 80 Mg 0.83333333333333 0.66666666666667 0.98323597567842 24.305 > 20 81 Mg 0.33333333333333 0.16666666666667 0.48323597567842 24.305 > 21 82 Mg 0.83333333333333 0.16666666666667 0.48323597567842 24.305 > 21 83 Mg 0.33333333333333 0.66666666666667 0.48323597567842 24.305 > 21 84 Mg 0.83333333333333 0.66666666666667 0.48323597567842 24.305 > 21 85 Mg 0.16666666666667 0.33333333333333 0.01676402432158 24.305 > 22 86 Mg 0.66666666666667 0.33333333333333 0.01676402432158 24.305 > 22 87 Mg 0.16666666666667 0.83333333333333 0.01676402432158 24.305 > 22 88 Mg 0.66666666666667 0.83333333333333 0.01676402432158 24.305 > 22 *89 Mg 0.16666666666667 0.33333333333333 0.30827745856762 24.305 > 23 90 Mg 0.66666666666667 0.33333333333333 0.30827745856762 24.305 > 23 91 Mg 0.16666666666667 0.83333333333333 0.30827745856762 24.305 > 23 92 Mg 0.66666666666667 0.83333333333333 0.30827745856762 24.305 > 23 93 Mg 0.33333333333333 0.16666666666667 0.19172254143238 24.305 > 24 94 Mg 0.83333333333333 0.16666666666667 0.19172254143238 24.305 > 24 95 Mg 0.33333333333333 0.66666666666667 0.19172254143238 24.305 > 24 96 Mg 0.83333333333333 0.66666666666667 0.19172254143238 24.305 > 24 97 Mg 0.33333333333333 0.16666666666667 0.69172254143238 24.305 > 25 98 Mg 0.83333333333333 0.16666666666667 0.69172254143238 24.305 > 25 99 Mg 0.33333333333333 0.66666666666667 0.69172254143238 24.305 > 25 100 Mg 0.83333333333333 0.66666666666667 0.69172254143238 24.305 > 25 101 Mg 0.16666666666667 0.33333333333333 0.80827745856762 24.305 > 26 102 Mg 0.66666666666667 0.33333333333333 0.80827745856762 24.305 > 26 103 Mg 0.16666666666667 0.83333333333333 0.80827745856762 24.305 > 26 104 Mg 0.66666666666667 0.83333333333333 0.80827745856762 24.305 > 26 *105 Nb 0.00000000000000 0.00000000000000 0.35815173404242 92.906 > 27 106 Nb 0.50000000000000 0.00000000000000 0.35815173404242 92.906 > 27 107 Nb 0.00000000000000 0.50000000000000 0.35815173404242 92.906 > 27 108 Nb 0.50000000000000 0.50000000000000 0.35815173404242 92.906 > 27 109 Nb 0.00000000000000 0.00000000000000 0.14184826595759 92.906 > 28 110 Nb 0.50000000000000 0.00000000000000 0.14184826595759 92.906 > 28 111 Nb 0.00000000000000 0.50000000000000 0.14184826595759 92.906 > 28 112 Nb 0.50000000000000 0.50000000000000 0.14184826595759 92.906 > 28 113 Nb 0.00000000000000 0.00000000000000 0.64184826595759 92.906 > 29 114 Nb 0.50000000000000 0.00000000000000 0.64184826595759 92.906 > 29 115 Nb 0.00000000000000 0.50000000000000 0.64184826595759 92.906 > 29 116 Nb 0.50000000000000 0.50000000000000 0.64184826595759 92.906 > 29 117 Nb 0.00000000000000 0.00000000000000 0.85815173404241 92.906 > 30 118 Nb 0.50000000000000 0.00000000000000 0.85815173404241 92.906 > 30 119 Nb 0.00000000000000 0.50000000000000 0.85815173404241 92.906 > 30 120 Nb 0.50000000000000 0.50000000000000 0.85815173404241 92.906 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2237258 -0.0000000 0.0000000 0.0000000 4.2237258 0.0000000 0.0000000 0.0000000 4.1428722 -------------------------- Born effective charges -------------------------- 1 O -1.6325584 -0.7275450 -0.3998050 -0.6891157 -2.9753713 -0.7000372 -0.5486683 -0.8362143 -2.0171043 2 O -3.2531002 -0.2465045 0.8061525 -0.2080752 -1.3548295 0.0037773 0.9985170 -0.0570536 -2.0171043 3 O -2.0262360 0.9164056 -0.4063475 0.9548349 -2.5816937 0.6962599 -0.4498487 0.8932679 -2.0171043 4 O -2.0262360 -0.9164056 0.4063475 -0.9548349 -2.5816937 0.6962599 0.4498487 0.8932679 -2.0171043 5 O -1.6325584 0.7275450 0.3998050 0.6891157 -2.9753713 -0.7000372 0.5486683 -0.8362143 -2.0171043 6 O -3.2531002 0.2465045 -0.8061525 0.2080752 -1.3548295 0.0037773 -0.9985170 -0.0570536 -2.0171043 7 O -1.6325584 -0.7275450 -0.3998050 -0.6891157 -2.9753713 -0.7000372 -0.5486683 -0.8362143 -2.0171043 8 O -3.2531002 -0.2465045 0.8061525 -0.2080752 -1.3548295 0.0037773 0.9985170 -0.0570536 -2.0171043 9 O -2.0262360 0.9164056 -0.4063475 0.9548349 -2.5816937 0.6962599 -0.4498487 0.8932679 -2.0171043 10 O -2.0262360 -0.9164056 0.4063475 -0.9548349 -2.5816937 0.6962599 0.4498487 0.8932679 -2.0171043 11 O -1.6325584 0.7275450 0.3998050 0.6891157 -2.9753713 -0.7000372 0.5486683 -0.8362143 -2.0171043 12 O -3.2531002 0.2465045 -0.8061525 0.2080752 -1.3548295 0.0037773 -0.9985170 -0.0570536 -2.0171043 13 O -1.7079319 -0.6023297 0.1144180 -0.6023297 -2.4034423 -0.0660593 0.1463189 -0.0844773 -2.3318734 14 O -2.7511975 0.0000000 -0.0000000 -0.0000000 -1.3601767 0.1321185 -0.0000000 0.1689545 -2.3318734 15 O -1.7079319 0.6023297 -0.1144180 0.6023297 -2.4034423 -0.0660593 -0.1463189 -0.0844773 -2.3318734 16 O -1.7079319 -0.6023297 0.1144180 -0.6023297 -2.4034423 -0.0660593 0.1463189 -0.0844773 -2.3318734 17 O -2.7511975 0.0000000 -0.0000000 -0.0000000 -1.3601767 0.1321185 -0.0000000 0.1689545 -2.3318734 18 O -1.7079319 0.6023297 -0.1144180 0.6023297 -2.4034423 -0.0660593 -0.1463189 -0.0844773 -2.3318734 19 Mg 2.4290654 0.0672858 -0.0000000 -0.0672858 2.4290654 0.0000000 -0.0000000 0.0000000 2.8808493 20 Mg 2.4290654 -0.0672858 -0.0000000 0.0672858 2.4290654 0.0000000 -0.0000000 0.0000000 2.8808493 21 Mg 2.4290654 0.0672858 -0.0000000 -0.0672858 2.4290654 0.0000000 -0.0000000 0.0000000 2.8808493 22 Mg 2.4290654 -0.0672858 -0.0000000 0.0672858 2.4290654 0.0000000 -0.0000000 0.0000000 2.8808493 23 Mg 2.4062180 0.0396246 -0.0000000 -0.0396246 2.4062180 0.0000000 -0.0000000 0.0000000 1.4618940 24 Mg 2.4062180 -0.0396246 -0.0000000 0.0396246 2.4062180 0.0000000 -0.0000000 0.0000000 1.4618940 25 Mg 2.4062180 0.0396246 -0.0000000 -0.0396246 2.4062180 0.0000000 -0.0000000 0.0000000 1.4618940 26 Mg 2.4062180 -0.0396246 -0.0000000 0.0396246 2.4062180 0.0000000 -0.0000000 0.0000000 1.4618940 27 Nb 5.1601418 0.0827395 -0.0000000 -0.0827395 5.1601418 0.0000000 -0.0000000 0.0000000 5.2063798 28 Nb 5.1601418 -0.0827395 -0.0000000 0.0827395 5.1601418 0.0000000 -0.0000000 0.0000000 5.2063798 29 Nb 5.1601418 0.0827395 -0.0000000 -0.0827395 5.1601418 0.0000000 -0.0000000 0.0000000 5.2063798 30 Nb 5.1601418 -0.0827395 -0.0000000 0.0827395 5.1601418 0.0000000 -0.0000000 0.0000000 5.2063798 ---------------------------------------------------------------------------- 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: 1426 Number of blocks in projector: 706 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) 240 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 152 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 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) 74 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 8 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: 190 Use standard eigh solver. Tree of FC basis block matrices: - (1426, 1403), data: False |-- (190, 185), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 8), data: (576, 14) @ (14, 8) |-- (76, 74), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 8), data: (660, 20) @ (20, 8) |-- (160, 152), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 238), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 320 - Time: 1.993 Solver_block: 200 / 320 - Time: 2.000 Solver_block: 300 / 320 - Time: 1.990 Solver_block: 320 / 320 - Time: 0.467 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.486 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 1426 Number of blocks in projector: 706 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) 240 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 152 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 8 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) 74 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 8 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: 190 Use standard eigh solver. Tree of FC basis block matrices: - (1426, 1403), data: False |-- (190, 185), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 8), data: (576, 14) @ (14, 8) |-- (76, 74), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 8), data: (660, 20) @ (20, 8) |-- (160, 152), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 238), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:49:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:49:40]------------------------- 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: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.180974465554964 0.000000000000000 0.000000000000000 b -2.590487232777482 4.486855503529104 0.000000000000000 c 0.000000000000000 0.000000000000000 14.038049330000000 Atomic positions (fractional): 1 O 0.31978366362903 0.34933877525301 0.91564074882180 15.999 2 O 0.65066122474699 0.97044488837602 0.91564074882180 15.999 3 O 0.02955511162398 0.68021633637097 0.91564074882180 15.999 4 O 0.34933877525301 0.31978366362903 0.58435925117820 15.999 5 O 0.97044488837602 0.65066122474699 0.58435925117820 15.999 6 O 0.68021633637097 0.02955511162398 0.58435925117820 15.999 7 O 0.68021633637097 0.65066122474699 0.08435925117821 15.999 8 O 0.34933877525301 0.02955511162398 0.08435925117821 15.999 9 O 0.97044488837602 0.31978366362903 0.08435925117821 15.999 10 O 0.65066122474699 0.68021633637097 0.41564074882180 15.999 11 O 0.02955511162398 0.34933877525301 0.41564074882180 15.999 12 O 0.31978366362903 0.97044488837602 0.41564074882180 15.999 13 O 0.28986302416920 0.28986302416920 0.25000000000000 15.999 14 O 0.71013697583080 0.00000000000000 0.25000000000000 15.999 15 O 0.00000000000000 0.71013697583080 0.25000000000000 15.999 16 O 0.71013697583080 0.71013697583080 0.75000000000000 15.999 17 O 0.28986302416920 0.00000000000000 0.75000000000000 15.999 18 O 0.00000000000000 0.28986302416920 0.75000000000000 15.999 19 Mg 0.33333333333333 0.66666666666667 0.51676402432158 24.305 20 Mg 0.66666666666667 0.33333333333333 0.98323597567842 24.305 21 Mg 0.66666666666667 0.33333333333333 0.48323597567842 24.305 22 Mg 0.33333333333333 0.66666666666667 0.01676402432158 24.305 23 Mg 0.33333333333333 0.66666666666667 0.30827745856762 24.305 24 Mg 0.66666666666667 0.33333333333333 0.19172254143238 24.305 25 Mg 0.66666666666667 0.33333333333333 0.69172254143238 24.305 26 Mg 0.33333333333333 0.66666666666667 0.80827745856762 24.305 27 Nb 0.00000000000000 0.00000000000000 0.35815173404242 92.906 28 Nb 0.00000000000000 0.00000000000000 0.14184826595759 92.906 29 Nb 0.00000000000000 0.00000000000000 0.64184826595759 92.906 30 Nb 0.00000000000000 0.00000000000000 0.85815173404241 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.361948931109929 0.000000000000000 0.000000000000000 b -5.180974465554964 8.973711007058208 0.000000000000000 c 0.000000000000000 0.000000000000000 14.038049330000000 Atomic positions (fractional): 1 O 0.15989183181451 0.17466938762650 0.91564074882180 15.999 > 1 2 O 0.65989183181451 0.17466938762650 0.91564074882180 15.999 > 1 3 O 0.15989183181451 0.67466938762650 0.91564074882180 15.999 > 1 4 O 0.65989183181451 0.67466938762650 0.91564074882180 15.999 > 1 5 O 0.32533061237350 0.48522244418801 0.91564074882180 15.999 > 5 6 O 0.82533061237350 0.48522244418801 0.91564074882180 15.999 > 5 7 O 0.32533061237350 0.98522244418801 0.91564074882180 15.999 > 5 8 O 0.82533061237350 0.98522244418801 0.91564074882180 15.999 > 5 9 O 0.01477755581199 0.34010816818549 0.91564074882180 15.999 > 9 10 O 0.51477755581199 0.34010816818549 0.91564074882180 15.999 > 9 11 O 0.01477755581199 0.84010816818549 0.91564074882180 15.999 > 9 12 O 0.51477755581199 0.84010816818549 0.91564074882180 15.999 > 9 13 O 0.17466938762650 0.15989183181451 0.58435925117820 15.999 > 13 14 O 0.67466938762650 0.15989183181451 0.58435925117820 15.999 > 13 15 O 0.17466938762650 0.65989183181451 0.58435925117820 15.999 > 13 16 O 0.67466938762650 0.65989183181451 0.58435925117820 15.999 > 13 17 O 0.48522244418801 0.32533061237350 0.58435925117820 15.999 > 17 18 O 0.98522244418801 0.32533061237350 0.58435925117820 15.999 > 17 19 O 0.48522244418801 0.82533061237350 0.58435925117820 15.999 > 17 20 O 0.98522244418801 0.82533061237350 0.58435925117820 15.999 > 17 21 O 0.34010816818549 0.01477755581199 0.58435925117820 15.999 > 21 22 O 0.84010816818549 0.01477755581199 0.58435925117820 15.999 > 21 23 O 0.34010816818549 0.51477755581199 0.58435925117820 15.999 > 21 24 O 0.84010816818549 0.51477755581199 0.58435925117820 15.999 > 21 25 O 0.34010816818549 0.32533061237350 0.08435925117821 15.999 > 25 26 O 0.84010816818549 0.32533061237350 0.08435925117821 15.999 > 25 27 O 0.34010816818549 0.82533061237350 0.08435925117821 15.999 > 25 28 O 0.84010816818549 0.82533061237350 0.08435925117821 15.999 > 25 29 O 0.17466938762650 0.01477755581199 0.08435925117821 15.999 > 29 30 O 0.67466938762650 0.01477755581199 0.08435925117821 15.999 > 29 31 O 0.17466938762650 0.51477755581199 0.08435925117821 15.999 > 29 32 O 0.67466938762650 0.51477755581199 0.08435925117821 15.999 > 29 33 O 0.48522244418801 0.15989183181451 0.08435925117821 15.999 > 33 34 O 0.98522244418801 0.15989183181451 0.08435925117821 15.999 > 33 35 O 0.48522244418801 0.65989183181451 0.08435925117821 15.999 > 33 36 O 0.98522244418801 0.65989183181451 0.08435925117821 15.999 > 33 37 O 0.32533061237350 0.34010816818549 0.41564074882180 15.999 > 37 38 O 0.82533061237350 0.34010816818549 0.41564074882180 15.999 > 37 39 O 0.32533061237350 0.84010816818549 0.41564074882180 15.999 > 37 40 O 0.82533061237350 0.84010816818549 0.41564074882180 15.999 > 37 41 O 0.01477755581199 0.17466938762650 0.41564074882180 15.999 > 41 42 O 0.51477755581199 0.17466938762650 0.41564074882180 15.999 > 41 43 O 0.01477755581199 0.67466938762650 0.41564074882180 15.999 > 41 44 O 0.51477755581199 0.67466938762650 0.41564074882180 15.999 > 41 45 O 0.15989183181451 0.48522244418801 0.41564074882180 15.999 > 45 46 O 0.65989183181451 0.48522244418801 0.41564074882180 15.999 > 45 47 O 0.15989183181451 0.98522244418801 0.41564074882180 15.999 > 45 48 O 0.65989183181451 0.98522244418801 0.41564074882180 15.999 > 45 49 O 0.14493151208460 0.14493151208460 0.25000000000000 15.999 > 49 50 O 0.64493151208460 0.14493151208460 0.25000000000000 15.999 > 49 51 O 0.14493151208460 0.64493151208460 0.25000000000000 15.999 > 49 52 O 0.64493151208460 0.64493151208460 0.25000000000000 15.999 > 49 53 O 0.35506848791540 0.00000000000000 0.25000000000000 15.999 > 53 54 O 0.85506848791540 0.00000000000000 0.25000000000000 15.999 > 53 55 O 0.35506848791540 0.50000000000000 0.25000000000000 15.999 > 53 56 O 0.85506848791540 0.50000000000000 0.25000000000000 15.999 > 53 57 O 0.00000000000000 0.35506848791540 0.25000000000000 15.999 > 57 58 O 0.50000000000000 0.35506848791540 0.25000000000000 15.999 > 57 59 O 0.00000000000000 0.85506848791540 0.25000000000000 15.999 > 57 60 O 0.50000000000000 0.85506848791540 0.25000000000000 15.999 > 57 61 O 0.35506848791540 0.35506848791540 0.75000000000000 15.999 > 61 62 O 0.85506848791540 0.35506848791540 0.75000000000000 15.999 > 61 63 O 0.35506848791540 0.85506848791540 0.75000000000000 15.999 > 61 64 O 0.85506848791540 0.85506848791540 0.75000000000000 15.999 > 61 65 O 0.14493151208460 0.00000000000000 0.75000000000000 15.999 > 65 66 O 0.64493151208460 0.00000000000000 0.75000000000000 15.999 > 65 67 O 0.14493151208460 0.50000000000000 0.75000000000000 15.999 > 65 68 O 0.64493151208460 0.50000000000000 0.75000000000000 15.999 > 65 69 O 0.00000000000000 0.14493151208460 0.75000000000000 15.999 > 69 70 O 0.50000000000000 0.14493151208460 0.75000000000000 15.999 > 69 71 O 0.00000000000000 0.64493151208460 0.75000000000000 15.999 > 69 72 O 0.50000000000000 0.64493151208460 0.75000000000000 15.999 > 69 73 Mg 0.16666666666667 0.33333333333333 0.51676402432158 24.305 > 73 74 Mg 0.66666666666667 0.33333333333333 0.51676402432158 24.305 > 73 75 Mg 0.16666666666667 0.83333333333333 0.51676402432158 24.305 > 73 76 Mg 0.66666666666667 0.83333333333333 0.51676402432158 24.305 > 73 77 Mg 0.33333333333333 0.16666666666667 0.98323597567842 24.305 > 77 78 Mg 0.83333333333333 0.16666666666667 0.98323597567842 24.305 > 77 79 Mg 0.33333333333333 0.66666666666667 0.98323597567842 24.305 > 77 80 Mg 0.83333333333333 0.66666666666667 0.98323597567842 24.305 > 77 81 Mg 0.33333333333333 0.16666666666667 0.48323597567842 24.305 > 81 82 Mg 0.83333333333333 0.16666666666667 0.48323597567842 24.305 > 81 83 Mg 0.33333333333333 0.66666666666667 0.48323597567842 24.305 > 81 84 Mg 0.83333333333333 0.66666666666667 0.48323597567842 24.305 > 81 85 Mg 0.16666666666667 0.33333333333333 0.01676402432158 24.305 > 85 86 Mg 0.66666666666667 0.33333333333333 0.01676402432158 24.305 > 85 87 Mg 0.16666666666667 0.83333333333333 0.01676402432158 24.305 > 85 88 Mg 0.66666666666667 0.83333333333333 0.01676402432158 24.305 > 85 89 Mg 0.16666666666667 0.33333333333333 0.30827745856762 24.305 > 89 90 Mg 0.66666666666667 0.33333333333333 0.30827745856762 24.305 > 89 91 Mg 0.16666666666667 0.83333333333333 0.30827745856762 24.305 > 89 92 Mg 0.66666666666667 0.83333333333333 0.30827745856762 24.305 > 89 93 Mg 0.33333333333333 0.16666666666667 0.19172254143238 24.305 > 93 94 Mg 0.83333333333333 0.16666666666667 0.19172254143238 24.305 > 93 95 Mg 0.33333333333333 0.66666666666667 0.19172254143238 24.305 > 93 96 Mg 0.83333333333333 0.66666666666667 0.19172254143238 24.305 > 93 97 Mg 0.33333333333333 0.16666666666667 0.69172254143238 24.305 > 97 98 Mg 0.83333333333333 0.16666666666667 0.69172254143238 24.305 > 97 99 Mg 0.33333333333333 0.66666666666667 0.69172254143238 24.305 > 97 100 Mg 0.83333333333333 0.66666666666667 0.69172254143238 24.305 > 97 101 Mg 0.16666666666667 0.33333333333333 0.80827745856762 24.305 > 101 102 Mg 0.66666666666667 0.33333333333333 0.80827745856762 24.305 > 101 103 Mg 0.16666666666667 0.83333333333333 0.80827745856762 24.305 > 101 104 Mg 0.66666666666667 0.83333333333333 0.80827745856762 24.305 > 101 105 Nb 0.00000000000000 0.00000000000000 0.35815173404242 92.906 > 105 106 Nb 0.50000000000000 0.00000000000000 0.35815173404242 92.906 > 105 107 Nb 0.00000000000000 0.50000000000000 0.35815173404242 92.906 > 105 108 Nb 0.50000000000000 0.50000000000000 0.35815173404242 92.906 > 105 109 Nb 0.00000000000000 0.00000000000000 0.14184826595759 92.906 > 109 110 Nb 0.50000000000000 0.00000000000000 0.14184826595759 92.906 > 109 111 Nb 0.00000000000000 0.50000000000000 0.14184826595759 92.906 > 109 112 Nb 0.50000000000000 0.50000000000000 0.14184826595759 92.906 > 109 113 Nb 0.00000000000000 0.00000000000000 0.64184826595759 92.906 > 113 114 Nb 0.50000000000000 0.00000000000000 0.64184826595759 92.906 > 113 115 Nb 0.00000000000000 0.50000000000000 0.64184826595759 92.906 > 113 116 Nb 0.50000000000000 0.50000000000000 0.64184826595759 92.906 > 113 117 Nb 0.00000000000000 0.00000000000000 0.85815173404241 92.906 > 117 118 Nb 0.50000000000000 0.00000000000000 0.85815173404241 92.906 > 117 119 Nb 0.00000000000000 0.50000000000000 0.85815173404241 92.906 > 117 120 Nb 0.50000000000000 0.50000000000000 0.85815173404241 92.906 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2237258 -0.0000000 0.0000000 0.0000000 4.2237258 0.0000000 0.0000000 0.0000000 4.1428722 -------------------------- Born effective charges -------------------------- 1 O -1.6325584 -0.7275450 -0.3998050 -0.6891157 -2.9753713 -0.7000372 -0.5486683 -0.8362143 -2.0171043 2 O -3.2531002 -0.2465045 0.8061525 -0.2080752 -1.3548295 0.0037773 0.9985170 -0.0570536 -2.0171043 3 O -2.0262360 0.9164056 -0.4063475 0.9548349 -2.5816937 0.6962599 -0.4498487 0.8932679 -2.0171043 4 O -2.0262360 -0.9164056 0.4063475 -0.9548349 -2.5816937 0.6962599 0.4498487 0.8932679 -2.0171043 5 O -1.6325584 0.7275450 0.3998050 0.6891157 -2.9753713 -0.7000372 0.5486683 -0.8362143 -2.0171043 6 O -3.2531002 0.2465045 -0.8061525 0.2080752 -1.3548295 0.0037773 -0.9985170 -0.0570536 -2.0171043 7 O -1.6325584 -0.7275450 -0.3998050 -0.6891157 -2.9753713 -0.7000372 -0.5486683 -0.8362143 -2.0171043 8 O -3.2531002 -0.2465045 0.8061525 -0.2080752 -1.3548295 0.0037773 0.9985170 -0.0570536 -2.0171043 9 O -2.0262360 0.9164056 -0.4063475 0.9548349 -2.5816937 0.6962599 -0.4498487 0.8932679 -2.0171043 10 O -2.0262360 -0.9164056 0.4063475 -0.9548349 -2.5816937 0.6962599 0.4498487 0.8932679 -2.0171043 11 O -1.6325584 0.7275450 0.3998050 0.6891157 -2.9753713 -0.7000372 0.5486683 -0.8362143 -2.0171043 12 O -3.2531002 0.2465045 -0.8061525 0.2080752 -1.3548295 0.0037773 -0.9985170 -0.0570536 -2.0171043 13 O -1.7079319 -0.6023297 0.1144180 -0.6023297 -2.4034423 -0.0660593 0.1463189 -0.0844773 -2.3318734 14 O -2.7511975 0.0000000 -0.0000000 -0.0000000 -1.3601767 0.1321185 -0.0000000 0.1689545 -2.3318734 15 O -1.7079319 0.6023297 -0.1144180 0.6023297 -2.4034423 -0.0660593 -0.1463189 -0.0844773 -2.3318734 16 O -1.7079319 -0.6023297 0.1144180 -0.6023297 -2.4034423 -0.0660593 0.1463189 -0.0844773 -2.3318734 17 O -2.7511975 0.0000000 -0.0000000 -0.0000000 -1.3601767 0.1321185 -0.0000000 0.1689545 -2.3318734 18 O -1.7079319 0.6023297 -0.1144180 0.6023297 -2.4034423 -0.0660593 -0.1463189 -0.0844773 -2.3318734 19 Mg 2.4290654 0.0672858 -0.0000000 -0.0672858 2.4290654 0.0000000 -0.0000000 0.0000000 2.8808493 20 Mg 2.4290654 -0.0672858 -0.0000000 0.0672858 2.4290654 0.0000000 -0.0000000 0.0000000 2.8808493 21 Mg 2.4290654 0.0672858 -0.0000000 -0.0672858 2.4290654 0.0000000 -0.0000000 0.0000000 2.8808493 22 Mg 2.4290654 -0.0672858 -0.0000000 0.0672858 2.4290654 0.0000000 -0.0000000 0.0000000 2.8808493 23 Mg 2.4062180 0.0396246 -0.0000000 -0.0396246 2.4062180 0.0000000 -0.0000000 0.0000000 1.4618940 24 Mg 2.4062180 -0.0396246 -0.0000000 0.0396246 2.4062180 0.0000000 -0.0000000 0.0000000 1.4618940 25 Mg 2.4062180 0.0396246 -0.0000000 -0.0396246 2.4062180 0.0000000 -0.0000000 0.0000000 1.4618940 26 Mg 2.4062180 -0.0396246 -0.0000000 0.0396246 2.4062180 0.0000000 -0.0000000 0.0000000 1.4618940 27 Nb 5.1601418 0.0827395 -0.0000000 -0.0827395 5.1601418 0.0000000 -0.0000000 0.0000000 5.2063798 28 Nb 5.1601418 -0.0827395 -0.0000000 0.0827395 5.1601418 0.0000000 -0.0000000 0.0000000 5.2063798 29 Nb 5.1601418 0.0827395 -0.0000000 -0.0827395 5.1601418 0.0000000 -0.0000000 0.0000000 5.2063798 30 Nb 5.1601418 -0.0827395 -0.0000000 0.0827395 5.1601418 0.0000000 -0.0000000 0.0000000 5.2063798 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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[ 89, 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[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000031 (xxx) 0.00000031 (xxx) 0.00000031 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (xy) -0.00000004 (xy) 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 03:50:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:50:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.180974465554964 0.000000000000000 0.000000000000000 b -2.590487232777482 4.486855503529104 0.000000000000000 c 0.000000000000000 0.000000000000000 14.038049330000000 Atomic positions (fractional): 1 O 0.31978366362903 0.34933877525301 0.91564074882180 15.999 2 O 0.65066122474699 0.97044488837602 0.91564074882180 15.999 3 O 0.02955511162398 0.68021633637097 0.91564074882180 15.999 4 O 0.34933877525301 0.31978366362903 0.58435925117820 15.999 5 O 0.97044488837602 0.65066122474699 0.58435925117820 15.999 6 O 0.68021633637097 0.02955511162398 0.58435925117820 15.999 7 O 0.68021633637097 0.65066122474699 0.08435925117821 15.999 8 O 0.34933877525301 0.02955511162398 0.08435925117821 15.999 9 O 0.97044488837602 0.31978366362903 0.08435925117821 15.999 10 O 0.65066122474699 0.68021633637097 0.41564074882180 15.999 11 O 0.02955511162398 0.34933877525301 0.41564074882180 15.999 12 O 0.31978366362903 0.97044488837602 0.41564074882180 15.999 13 O 0.28986302416920 0.28986302416920 0.25000000000000 15.999 14 O 0.71013697583080 0.00000000000000 0.25000000000000 15.999 15 O 0.00000000000000 0.71013697583080 0.25000000000000 15.999 16 O 0.71013697583080 0.71013697583080 0.75000000000000 15.999 17 O 0.28986302416920 0.00000000000000 0.75000000000000 15.999 18 O 0.00000000000000 0.28986302416920 0.75000000000000 15.999 19 Mg 0.33333333333333 0.66666666666667 0.51676402432158 24.305 20 Mg 0.66666666666667 0.33333333333333 0.98323597567842 24.305 21 Mg 0.66666666666667 0.33333333333333 0.48323597567842 24.305 22 Mg 0.33333333333333 0.66666666666667 0.01676402432158 24.305 23 Mg 0.33333333333333 0.66666666666667 0.30827745856762 24.305 24 Mg 0.66666666666667 0.33333333333333 0.19172254143238 24.305 25 Mg 0.66666666666667 0.33333333333333 0.69172254143238 24.305 26 Mg 0.33333333333333 0.66666666666667 0.80827745856762 24.305 27 Nb 0.00000000000000 0.00000000000000 0.35815173404242 92.906 28 Nb 0.00000000000000 0.00000000000000 0.14184826595759 92.906 29 Nb 0.00000000000000 0.00000000000000 0.64184826595759 92.906 30 Nb 0.00000000000000 0.00000000000000 0.85815173404241 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.361948931109929 0.000000000000000 0.000000000000000 b -5.180974465554964 8.973711007058208 0.000000000000000 c 0.000000000000000 0.000000000000000 14.038049330000000 Atomic positions (fractional): 1 O 0.15989183181451 0.17466938762650 0.91564074882180 15.999 > 1 2 O 0.65989183181451 0.17466938762650 0.91564074882180 15.999 > 1 3 O 0.15989183181451 0.67466938762650 0.91564074882180 15.999 > 1 4 O 0.65989183181451 0.67466938762650 0.91564074882180 15.999 > 1 5 O 0.32533061237350 0.48522244418801 0.91564074882180 15.999 > 5 6 O 0.82533061237350 0.48522244418801 0.91564074882180 15.999 > 5 7 O 0.32533061237350 0.98522244418801 0.91564074882180 15.999 > 5 8 O 0.82533061237350 0.98522244418801 0.91564074882180 15.999 > 5 9 O 0.01477755581199 0.34010816818549 0.91564074882180 15.999 > 9 10 O 0.51477755581199 0.34010816818549 0.91564074882180 15.999 > 9 11 O 0.01477755581199 0.84010816818549 0.91564074882180 15.999 > 9 12 O 0.51477755581199 0.84010816818549 0.91564074882180 15.999 > 9 13 O 0.17466938762650 0.15989183181451 0.58435925117820 15.999 > 13 14 O 0.67466938762650 0.15989183181451 0.58435925117820 15.999 > 13 15 O 0.17466938762650 0.65989183181451 0.58435925117820 15.999 > 13 16 O 0.67466938762650 0.65989183181451 0.58435925117820 15.999 > 13 17 O 0.48522244418801 0.32533061237350 0.58435925117820 15.999 > 17 18 O 0.98522244418801 0.32533061237350 0.58435925117820 15.999 > 17 19 O 0.48522244418801 0.82533061237350 0.58435925117820 15.999 > 17 20 O 0.98522244418801 0.82533061237350 0.58435925117820 15.999 > 17 21 O 0.34010816818549 0.01477755581199 0.58435925117820 15.999 > 21 22 O 0.84010816818549 0.01477755581199 0.58435925117820 15.999 > 21 23 O 0.34010816818549 0.51477755581199 0.58435925117820 15.999 > 21 24 O 0.84010816818549 0.51477755581199 0.58435925117820 15.999 > 21 25 O 0.34010816818549 0.32533061237350 0.08435925117821 15.999 > 25 26 O 0.84010816818549 0.32533061237350 0.08435925117821 15.999 > 25 27 O 0.34010816818549 0.82533061237350 0.08435925117821 15.999 > 25 28 O 0.84010816818549 0.82533061237350 0.08435925117821 15.999 > 25 29 O 0.17466938762650 0.01477755581199 0.08435925117821 15.999 > 29 30 O 0.67466938762650 0.01477755581199 0.08435925117821 15.999 > 29 31 O 0.17466938762650 0.51477755581199 0.08435925117821 15.999 > 29 32 O 0.67466938762650 0.51477755581199 0.08435925117821 15.999 > 29 33 O 0.48522244418801 0.15989183181451 0.08435925117821 15.999 > 33 34 O 0.98522244418801 0.15989183181451 0.08435925117821 15.999 > 33 35 O 0.48522244418801 0.65989183181451 0.08435925117821 15.999 > 33 36 O 0.98522244418801 0.65989183181451 0.08435925117821 15.999 > 33 37 O 0.32533061237350 0.34010816818549 0.41564074882180 15.999 > 37 38 O 0.82533061237350 0.34010816818549 0.41564074882180 15.999 > 37 39 O 0.32533061237350 0.84010816818549 0.41564074882180 15.999 > 37 40 O 0.82533061237350 0.84010816818549 0.41564074882180 15.999 > 37 41 O 0.01477755581199 0.17466938762650 0.41564074882180 15.999 > 41 42 O 0.51477755581199 0.17466938762650 0.41564074882180 15.999 > 41 43 O 0.01477755581199 0.67466938762650 0.41564074882180 15.999 > 41 44 O 0.51477755581199 0.67466938762650 0.41564074882180 15.999 > 41 45 O 0.15989183181451 0.48522244418801 0.41564074882180 15.999 > 45 46 O 0.65989183181451 0.48522244418801 0.41564074882180 15.999 > 45 47 O 0.15989183181451 0.98522244418801 0.41564074882180 15.999 > 45 48 O 0.65989183181451 0.98522244418801 0.41564074882180 15.999 > 45 49 O 0.14493151208460 0.14493151208460 0.25000000000000 15.999 > 49 50 O 0.64493151208460 0.14493151208460 0.25000000000000 15.999 > 49 51 O 0.14493151208460 0.64493151208460 0.25000000000000 15.999 > 49 52 O 0.64493151208460 0.64493151208460 0.25000000000000 15.999 > 49 53 O 0.35506848791540 0.00000000000000 0.25000000000000 15.999 > 53 54 O 0.85506848791540 0.00000000000000 0.25000000000000 15.999 > 53 55 O 0.35506848791540 0.50000000000000 0.25000000000000 15.999 > 53 56 O 0.85506848791540 0.50000000000000 0.25000000000000 15.999 > 53 57 O 0.00000000000000 0.35506848791540 0.25000000000000 15.999 > 57 58 O 0.50000000000000 0.35506848791540 0.25000000000000 15.999 > 57 59 O 0.00000000000000 0.85506848791540 0.25000000000000 15.999 > 57 60 O 0.50000000000000 0.85506848791540 0.25000000000000 15.999 > 57 61 O 0.35506848791540 0.35506848791540 0.75000000000000 15.999 > 61 62 O 0.85506848791540 0.35506848791540 0.75000000000000 15.999 > 61 63 O 0.35506848791540 0.85506848791540 0.75000000000000 15.999 > 61 64 O 0.85506848791540 0.85506848791540 0.75000000000000 15.999 > 61 65 O 0.14493151208460 0.00000000000000 0.75000000000000 15.999 > 65 66 O 0.64493151208460 0.00000000000000 0.75000000000000 15.999 > 65 67 O 0.14493151208460 0.50000000000000 0.75000000000000 15.999 > 65 68 O 0.64493151208460 0.50000000000000 0.75000000000000 15.999 > 65 69 O 0.00000000000000 0.14493151208460 0.75000000000000 15.999 > 69 70 O 0.50000000000000 0.14493151208460 0.75000000000000 15.999 > 69 71 O 0.00000000000000 0.64493151208460 0.75000000000000 15.999 > 69 72 O 0.50000000000000 0.64493151208460 0.75000000000000 15.999 > 69 73 Mg 0.16666666666667 0.33333333333333 0.51676402432158 24.305 > 73 74 Mg 0.66666666666667 0.33333333333333 0.51676402432158 24.305 > 73 75 Mg 0.16666666666667 0.83333333333333 0.51676402432158 24.305 > 73 76 Mg 0.66666666666667 0.83333333333333 0.51676402432158 24.305 > 73 77 Mg 0.33333333333333 0.16666666666667 0.98323597567842 24.305 > 77 78 Mg 0.83333333333333 0.16666666666667 0.98323597567842 24.305 > 77 79 Mg 0.33333333333333 0.66666666666667 0.98323597567842 24.305 > 77 80 Mg 0.83333333333333 0.66666666666667 0.98323597567842 24.305 > 77 81 Mg 0.33333333333333 0.16666666666667 0.48323597567842 24.305 > 81 82 Mg 0.83333333333333 0.16666666666667 0.48323597567842 24.305 > 81 83 Mg 0.33333333333333 0.66666666666667 0.48323597567842 24.305 > 81 84 Mg 0.83333333333333 0.66666666666667 0.48323597567842 24.305 > 81 85 Mg 0.16666666666667 0.33333333333333 0.01676402432158 24.305 > 85 86 Mg 0.66666666666667 0.33333333333333 0.01676402432158 24.305 > 85 87 Mg 0.16666666666667 0.83333333333333 0.01676402432158 24.305 > 85 88 Mg 0.66666666666667 0.83333333333333 0.01676402432158 24.305 > 85 89 Mg 0.16666666666667 0.33333333333333 0.30827745856762 24.305 > 89 90 Mg 0.66666666666667 0.33333333333333 0.30827745856762 24.305 > 89 91 Mg 0.16666666666667 0.83333333333333 0.30827745856762 24.305 > 89 92 Mg 0.66666666666667 0.83333333333333 0.30827745856762 24.305 > 89 93 Mg 0.33333333333333 0.16666666666667 0.19172254143238 24.305 > 93 94 Mg 0.83333333333333 0.16666666666667 0.19172254143238 24.305 > 93 95 Mg 0.33333333333333 0.66666666666667 0.19172254143238 24.305 > 93 96 Mg 0.83333333333333 0.66666666666667 0.19172254143238 24.305 > 93 97 Mg 0.33333333333333 0.16666666666667 0.69172254143238 24.305 > 97 98 Mg 0.83333333333333 0.16666666666667 0.69172254143238 24.305 > 97 99 Mg 0.33333333333333 0.66666666666667 0.69172254143238 24.305 > 97 100 Mg 0.83333333333333 0.66666666666667 0.69172254143238 24.305 > 97 101 Mg 0.16666666666667 0.33333333333333 0.80827745856762 24.305 > 101 102 Mg 0.66666666666667 0.33333333333333 0.80827745856762 24.305 > 101 103 Mg 0.16666666666667 0.83333333333333 0.80827745856762 24.305 > 101 104 Mg 0.66666666666667 0.83333333333333 0.80827745856762 24.305 > 101 105 Nb 0.00000000000000 0.00000000000000 0.35815173404242 92.906 > 105 106 Nb 0.50000000000000 0.00000000000000 0.35815173404242 92.906 > 105 107 Nb 0.00000000000000 0.50000000000000 0.35815173404242 92.906 > 105 108 Nb 0.50000000000000 0.50000000000000 0.35815173404242 92.906 > 105 109 Nb 0.00000000000000 0.00000000000000 0.14184826595759 92.906 > 109 110 Nb 0.50000000000000 0.00000000000000 0.14184826595759 92.906 > 109 111 Nb 0.00000000000000 0.50000000000000 0.14184826595759 92.906 > 109 112 Nb 0.50000000000000 0.50000000000000 0.14184826595759 92.906 > 109 113 Nb 0.00000000000000 0.00000000000000 0.64184826595759 92.906 > 113 114 Nb 0.50000000000000 0.00000000000000 0.64184826595759 92.906 > 113 115 Nb 0.00000000000000 0.50000000000000 0.64184826595759 92.906 > 113 116 Nb 0.50000000000000 0.50000000000000 0.64184826595759 92.906 > 113 117 Nb 0.00000000000000 0.00000000000000 0.85815173404241 92.906 > 117 118 Nb 0.50000000000000 0.00000000000000 0.85815173404241 92.906 > 117 119 Nb 0.00000000000000 0.50000000000000 0.85815173404241 92.906 > 117 120 Nb 0.50000000000000 0.50000000000000 0.85815173404241 92.906 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2237258 -0.0000000 0.0000000 0.0000000 4.2237258 0.0000000 0.0000000 0.0000000 4.1428722 -------------------------- Born effective charges -------------------------- 1 O -1.6325584 -0.7275450 -0.3998050 -0.6891157 -2.9753713 -0.7000372 -0.5486683 -0.8362143 -2.0171043 2 O -3.2531002 -0.2465045 0.8061525 -0.2080752 -1.3548295 0.0037773 0.9985170 -0.0570536 -2.0171043 3 O -2.0262360 0.9164056 -0.4063475 0.9548349 -2.5816937 0.6962599 -0.4498487 0.8932679 -2.0171043 4 O -2.0262360 -0.9164056 0.4063475 -0.9548349 -2.5816937 0.6962599 0.4498487 0.8932679 -2.0171043 5 O -1.6325584 0.7275450 0.3998050 0.6891157 -2.9753713 -0.7000372 0.5486683 -0.8362143 -2.0171043 6 O -3.2531002 0.2465045 -0.8061525 0.2080752 -1.3548295 0.0037773 -0.9985170 -0.0570536 -2.0171043 7 O -1.6325584 -0.7275450 -0.3998050 -0.6891157 -2.9753713 -0.7000372 -0.5486683 -0.8362143 -2.0171043 8 O -3.2531002 -0.2465045 0.8061525 -0.2080752 -1.3548295 0.0037773 0.9985170 -0.0570536 -2.0171043 9 O -2.0262360 0.9164056 -0.4063475 0.9548349 -2.5816937 0.6962599 -0.4498487 0.8932679 -2.0171043 10 O -2.0262360 -0.9164056 0.4063475 -0.9548349 -2.5816937 0.6962599 0.4498487 0.8932679 -2.0171043 11 O -1.6325584 0.7275450 0.3998050 0.6891157 -2.9753713 -0.7000372 0.5486683 -0.8362143 -2.0171043 12 O -3.2531002 0.2465045 -0.8061525 0.2080752 -1.3548295 0.0037773 -0.9985170 -0.0570536 -2.0171043 13 O -1.7079319 -0.6023297 0.1144180 -0.6023297 -2.4034423 -0.0660593 0.1463189 -0.0844773 -2.3318734 14 O -2.7511975 0.0000000 -0.0000000 -0.0000000 -1.3601767 0.1321185 -0.0000000 0.1689545 -2.3318734 15 O -1.7079319 0.6023297 -0.1144180 0.6023297 -2.4034423 -0.0660593 -0.1463189 -0.0844773 -2.3318734 16 O -1.7079319 -0.6023297 0.1144180 -0.6023297 -2.4034423 -0.0660593 0.1463189 -0.0844773 -2.3318734 17 O -2.7511975 0.0000000 -0.0000000 -0.0000000 -1.3601767 0.1321185 -0.0000000 0.1689545 -2.3318734 18 O -1.7079319 0.6023297 -0.1144180 0.6023297 -2.4034423 -0.0660593 -0.1463189 -0.0844773 -2.3318734 19 Mg 2.4290654 0.0672858 -0.0000000 -0.0672858 2.4290654 0.0000000 -0.0000000 0.0000000 2.8808493 20 Mg 2.4290654 -0.0672858 -0.0000000 0.0672858 2.4290654 0.0000000 -0.0000000 0.0000000 2.8808493 21 Mg 2.4290654 0.0672858 -0.0000000 -0.0672858 2.4290654 0.0000000 -0.0000000 0.0000000 2.8808493 22 Mg 2.4290654 -0.0672858 -0.0000000 0.0672858 2.4290654 0.0000000 -0.0000000 0.0000000 2.8808493 23 Mg 2.4062180 0.0396246 -0.0000000 -0.0396246 2.4062180 0.0000000 -0.0000000 0.0000000 1.4618940 24 Mg 2.4062180 -0.0396246 -0.0000000 0.0396246 2.4062180 0.0000000 -0.0000000 0.0000000 1.4618940 25 Mg 2.4062180 0.0396246 -0.0000000 -0.0396246 2.4062180 0.0000000 -0.0000000 0.0000000 1.4618940 26 Mg 2.4062180 -0.0396246 -0.0000000 0.0396246 2.4062180 0.0000000 -0.0000000 0.0000000 1.4618940 27 Nb 5.1601418 0.0827395 -0.0000000 -0.0827395 5.1601418 0.0000000 -0.0000000 0.0000000 5.2063798 28 Nb 5.1601418 -0.0827395 -0.0000000 0.0827395 5.1601418 0.0000000 -0.0000000 0.0000000 5.2063798 29 Nb 5.1601418 0.0827395 -0.0000000 -0.0827395 5.1601418 0.0000000 -0.0000000 0.0000000 5.2063798 30 Nb 5.1601418 -0.0827395 -0.0000000 0.0827395 5.1601418 0.0000000 -0.0000000 0.0000000 5.2063798 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000031 (xxx) 0.00000031 (xxx) 0.00000031 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 287, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/58) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 58 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 2.537 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.290 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.472 ( 0.000 0.000 0.000) 0.000 6.943 ( 0.000 0.000 0.000) 0.000 6.943 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 7.931 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.479 ( 0.000 0.000 0.000) 0.000 8.479 ( 0.000 0.000 0.000) 0.000 8.885 ( 0.000 0.000 0.000) 0.000 8.885 ( 0.000 0.000 0.000) 0.000 9.116 ( 0.000 0.000 0.000) 0.000 9.116 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 9.430 ( 0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 9.683 ( 0.000 0.000 0.000) 0.000 9.769 ( 0.000 0.000 0.000) 0.000 9.769 ( 0.000 0.000 0.000) 0.000 10.523 ( 0.000 0.000 0.000) 0.000 10.621 ( 0.000 0.000 0.000) 0.000 10.639 ( 0.000 0.000 0.000) 0.000 10.639 ( 0.000 0.000 0.000) 0.000 10.669 ( 0.000 0.000 0.000) 0.000 10.669 ( 0.000 0.000 0.000) 0.000 10.811 ( 0.000 0.000 0.000) 0.000 10.970 ( 0.000 0.000 0.000) 0.000 10.970 ( 0.000 0.000 0.000) 0.000 11.090 ( 0.000 0.000 0.000) 0.000 11.090 ( 0.000 0.000 0.000) 0.000 11.273 ( 0.000 0.000 0.000) 0.000 11.589 ( 0.000 0.000 0.000) 0.000 11.814 ( 0.000 0.000 0.000) 0.000 11.814 ( 0.000 0.000 0.000) 0.000 11.905 ( 0.000 0.000 0.000) 0.000 12.015 ( 0.000 0.000 0.000) 0.000 12.015 ( 0.000 0.000 0.000) 0.000 12.185 ( 0.000 0.000 0.000) 0.000 12.185 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.623 ( 0.000 0.000 0.000) 0.000 12.958 ( 0.000 0.000 0.000) 0.000 13.380 ( 0.000 0.000 0.000) 0.000 13.829 ( 0.000 0.000 0.000) 0.000 13.829 ( 0.000 0.000 0.000) 0.000 13.845 ( 0.000 0.000 0.000) 0.000 13.845 ( 0.000 0.000 0.000) 0.000 14.680 ( 0.000 0.000 0.000) 0.000 16.836 ( 0.000 0.000 0.000) 0.000 16.836 ( 0.000 0.000 0.000) 0.000 16.847 ( 0.000 0.000 0.000) 0.000 16.847 ( 0.000 0.000 0.000) 0.000 18.039 ( 0.000 0.000 0.000) 0.000 18.184 ( 0.000 0.000 0.000) 0.000 18.184 ( 0.000 0.000 0.000) 0.000 18.304 ( 0.000 0.000 0.000) 0.000 18.304 ( 0.000 0.000 0.000) 0.000 18.359 ( 0.000 0.000 0.000) 0.000 18.476 ( 0.000 0.000 0.000) 0.000 19.650 ( 0.000 0.000 0.000) 0.000 19.650 ( 0.000 0.000 0.000) 0.000 19.720 ( 0.000 0.000 0.000) 0.000 19.720 ( 0.000 0.000 0.000) 0.000 20.268 ( 0.000 0.000 0.000) 0.000 21.782 ( 0.000 0.000 0.000) 0.000 23.483 ( 0.000 0.000 0.000) 0.000 23.563 ( 0.000 0.000 0.000) 0.000 23.587 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/58) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 29.844 17.230 -8.449) 35.481 0.831 ( 35.209 20.328 -8.961) 41.632 1.621 ( 67.871 39.185 8.368) 78.816 2.538 ( 0.026 0.015 23.600) 23.600 2.661 ( 11.373 6.566 -18.556) 22.733 3.015 ( 11.180 6.455 -23.607) 26.906 3.126 ( 18.818 10.865 19.607) 29.268 4.214 ( -4.219 -2.436 4.871) 6.889 4.224 ( -3.149 -1.818 -4.378) 5.691 4.414 ( 2.928 1.691 -0.848) 3.486 5.855 ( 1.723 0.995 0.346) 2.020 6.014 ( -2.521 -1.456 -0.466) 2.948 6.251 ( -3.277 -1.892 -0.104) 3.786 6.282 ( -3.948 -2.279 -2.188) 5.056 6.336 ( -1.692 -0.977 3.803) 4.276 6.466 ( -0.129 -0.074 -2.207) 2.212 6.887 ( -4.045 -2.335 -8.714) 9.887 6.920 ( -4.089 -2.361 12.592) 13.448 6.987 ( 2.435 1.406 -0.039) 2.812 7.119 ( 0.499 0.288 -5.567) 5.597 7.127 ( 1.932 1.115 2.821) 3.597 7.429 ( 4.409 2.546 -4.191) 6.595 7.435 ( 5.292 3.055 4.782) 7.759 7.841 ( -6.639 -3.833 0.650) 7.694 8.158 ( -0.984 -0.568 -0.532) 1.255 8.190 ( -6.486 -3.745 -2.220) 7.812 8.493 ( 0.085 0.049 -1.530) 1.533 8.672 ( -8.562 -4.943 7.382) 12.339 8.837 ( -2.816 -1.626 2.867) 4.335 9.067 ( -8.426 -4.865 0.612) 9.749 9.147 ( -2.678 -1.546 1.009) 3.252 9.204 ( -2.412 -1.393 -13.459) 13.745 9.285 ( -7.362 -4.250 -0.347) 8.508 9.372 ( 3.671 2.119 15.142) 15.724 9.414 ( -15.528 -8.965 -5.372) 18.718 9.494 ( -8.438 -4.872 0.341) 9.749 9.552 ( -7.870 -4.544 -13.914) 16.619 9.604 ( 6.249 3.608 -6.697) 9.845 9.619 ( -2.732 -1.577 6.173) 6.932 9.762 ( 1.295 0.748 6.242) 6.419 10.250 ( -16.805 -9.702 1.754) 19.483 10.429 ( -7.113 -4.107 0.264) 8.218 10.544 ( -4.441 -2.564 0.990) 5.223 10.647 ( 0.393 0.227 3.461) 3.490 10.688 ( -1.927 -1.112 -0.389) 2.259 10.794 ( 3.479 2.008 -9.383) 10.207 10.822 ( -7.556 -4.363 2.772) 9.155 11.026 ( 6.019 3.475 3.423) 7.748 11.245 ( 9.369 5.409 2.820) 11.179 11.280 ( 9.464 5.464 -0.905) 10.966 11.282 ( 1.866 1.077 -0.998) 2.375 11.439 ( 14.071 8.124 -0.902) 16.273 11.609 ( -7.325 -4.229 2.092) 8.713 11.683 ( 3.888 2.245 -2.721) 5.250 11.853 ( 5.803 3.350 -2.587) 7.182 11.873 ( -8.233 -4.754 5.551) 11.009 12.073 ( 0.858 0.495 -2.117) 2.338 12.167 ( -1.182 -0.682 1.695) 2.176 12.322 ( -1.416 -0.818 -0.153) 1.643 12.331 ( -1.538 -0.888 0.009) 1.776 12.505 ( 18.066 10.430 0.284) 20.863 12.683 ( 3.399 1.963 -7.943) 8.860 12.775 ( -3.335 -1.926 2.844) 4.787 13.077 ( 5.275 3.046 0.256) 6.097 13.381 ( -0.560 -0.323 -1.021) 1.208 13.584 ( -16.565 -9.564 2.060) 19.239 13.862 ( 2.619 1.512 -0.934) 3.165 13.877 ( 2.637 1.523 0.564) 3.097 14.976 ( 19.399 11.200 -1.205) 22.432 15.459 ( 0.846 0.488 1.766) 2.018 16.771 ( -5.322 -3.073 1.393) 6.301 16.810 ( -2.168 -1.252 0.282) 2.520 16.836 ( -1.599 -0.923 0.607) 1.943 16.846 ( -0.628 -0.363 -0.242) 0.765 17.724 ( -30.943 -17.865 -0.862) 35.741 17.854 ( -14.778 -8.532 0.371) 17.068 18.242 ( 2.900 1.674 -1.699) 3.755 18.298 ( -6.113 -3.529 -0.638) 7.087 18.342 ( -0.546 -0.315 2.503) 2.581 18.388 ( 0.495 0.286 -0.331) 0.660 19.691 ( 3.076 1.776 0.348) 3.569 19.715 ( 1.875 1.083 -0.145) 2.170 19.805 ( 9.692 5.596 -2.005) 11.370 19.855 ( 10.285 5.938 1.292) 11.946 20.682 ( 27.067 15.627 -0.306) 31.256 21.830 ( 3.802 2.195 0.232) 4.396 23.437 ( -3.492 -2.016 -0.066) 4.033 23.534 ( -2.654 -1.532 0.024) 3.065 23.542 ( -3.373 -1.947 0.051) 3.895 23.629 ( -1.520 -0.877 0.273) 1.776 ======================= Grid point 2 (3/58) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 29.062 16.779 -7.809) 34.455 1.639 ( 33.692 19.452 -9.308) 40.003 2.597 ( 5.324 3.074 22.232) 23.066 3.028 ( 18.172 10.491 -11.958) 24.151 3.133 ( 59.589 34.404 9.616) 69.476 3.328 ( 15.005 8.663 -23.500) 29.196 3.602 ( 20.120 11.616 19.383) 30.256 4.091 ( -5.663 -3.269 8.765) 10.935 4.153 ( -1.841 -1.063 -6.996) 7.312 4.491 ( 2.549 1.472 -5.708) 6.423 5.905 ( -6.921 -3.996 -1.502) 8.131 5.912 ( 2.582 1.490 -1.048) 3.160 6.137 ( -6.326 -3.653 -0.727) 7.341 6.196 ( -1.383 -0.798 1.976) 2.541 6.262 ( -4.554 -2.629 6.143) 8.086 6.460 ( -0.893 -0.515 -8.750) 8.810 6.782 ( -4.855 -2.803 -9.517) 11.045 6.857 ( -1.609 -0.929 12.225) 12.365 7.066 ( 3.674 2.121 0.365) 4.258 7.117 ( -0.525 -0.303 -4.125) 4.170 7.177 ( 2.315 1.337 1.588) 3.110 7.526 ( 3.422 1.976 -2.215) 4.530 7.563 ( 1.896 1.095 5.614) 6.026 7.668 ( -4.628 -2.672 5.892) 7.955 7.900 ( -16.474 -9.511 -4.343) 19.512 8.157 ( -0.987 -0.570 2.147) 2.431 8.458 ( -2.867 -1.655 -1.427) 3.605 8.481 ( -6.622 -3.823 6.917) 10.310 8.667 ( -13.895 -8.022 2.708) 16.271 8.783 ( -13.659 -7.886 -4.717) 16.462 8.905 ( -8.270 -4.775 -4.279) 10.464 8.961 ( -22.377 -12.919 5.971) 26.519 9.052 ( -12.127 -7.001 -3.097) 14.341 9.239 ( -2.753 -1.589 -7.989) 8.598 9.322 ( 3.841 2.218 -0.613) 4.478 9.456 ( -2.088 -1.206 -9.929) 10.218 9.499 ( -7.491 -4.325 3.779) 9.439 9.508 ( 3.915 2.261 -0.457) 4.544 9.721 ( 0.554 0.320 -9.136) 9.159 9.856 ( 8.222 4.747 15.331) 18.033 9.898 ( -13.423 -7.750 2.696) 15.733 10.387 ( 2.403 1.387 0.213) 2.783 10.515 ( 1.338 0.773 -4.845) 5.085 10.590 ( -4.943 -2.854 -1.907) 6.017 10.591 ( -5.185 -2.994 3.134) 6.758 10.739 ( 2.219 1.281 7.663) 8.080 10.827 ( 1.268 0.732 -8.557) 8.681 11.148 ( 1.791 1.034 8.999) 9.234 11.285 ( 2.066 1.193 0.069) 2.387 11.287 ( -6.382 -3.685 1.526) 7.525 11.429 ( 2.226 1.285 -2.692) 3.722 11.602 ( -1.298 -0.749 -0.804) 1.700 11.656 ( -3.773 -2.178 3.292) 5.460 11.683 ( -1.910 -1.103 -3.858) 4.444 11.820 ( 13.817 7.978 -1.619) 16.037 12.039 ( -0.950 -0.548 -0.245) 1.124 12.049 ( 5.959 3.440 -1.104) 6.969 12.142 ( -0.696 -0.402 1.015) 1.295 12.236 ( -3.659 -2.113 0.365) 4.241 12.307 ( 0.777 0.449 -0.648) 1.107 12.678 ( -0.596 -0.344 -4.676) 4.727 12.874 ( 9.227 5.327 2.860) 11.032 12.947 ( 14.544 8.397 -0.588) 16.804 13.173 ( -14.795 -8.542 0.857) 17.106 13.178 ( 3.561 2.056 -1.546) 4.393 13.399 ( 1.010 0.583 2.845) 3.074 13.948 ( 4.569 2.638 -0.897) 5.351 13.960 ( 4.145 2.393 0.606) 4.824 15.396 ( 13.745 7.936 -2.328) 16.041 15.475 ( 0.185 0.107 2.619) 2.627 16.583 ( -11.094 -6.405 1.319) 12.878 16.668 ( -16.142 -9.320 -0.097) 18.640 16.778 ( -2.951 -1.704 -2.542) 4.251 16.790 ( -2.046 -1.181 0.826) 2.503 17.145 ( -11.294 -6.521 -0.166) 13.042 17.463 ( -15.994 -9.234 1.420) 18.523 18.024 ( -13.140 -7.586 0.155) 15.173 18.207 ( -5.162 -2.981 -1.333) 6.108 18.448 ( 8.455 4.882 2.100) 9.987 18.558 ( 11.030 6.368 -1.132) 12.786 19.745 ( 0.760 0.439 0.465) 0.993 19.783 ( 4.557 2.631 -0.086) 5.263 20.096 ( 13.944 8.051 -3.690) 16.519 20.143 ( 13.514 7.803 3.001) 15.891 21.271 ( 21.292 12.293 -0.757) 24.597 21.942 ( 5.391 3.113 0.476) 6.244 23.348 ( -3.704 -2.139 -0.595) 4.319 23.428 ( -6.567 -3.791 0.306) 7.589 23.444 ( -4.813 -2.779 0.194) 5.561 23.563 ( -4.075 -2.353 0.500) 4.732 ======================= Grid point 3 (4/58) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 28.043 16.191 -6.192) 32.968 2.396 ( 30.683 17.715 -9.842) 36.771 2.781 ( 10.040 5.797 15.340) 19.228 3.431 ( 14.965 8.640 -5.200) 18.046 3.666 ( 13.850 7.996 -17.950) 24.041 3.943 ( 0.057 0.033 14.523) 14.523 4.031 ( 4.391 2.535 3.964) 6.436 4.071 ( 13.434 7.756 17.940) 23.716 4.484 ( 39.651 22.893 -2.029) 45.830 4.485 ( -3.022 -1.745 -11.560) 12.075 5.696 ( -10.471 -6.046 1.080) 12.139 5.917 ( -3.499 -2.020 -7.366) 8.401 5.982 ( -5.597 -3.231 -2.488) 6.925 6.144 ( -5.033 -2.906 5.316) 7.876 6.267 ( 4.463 2.576 7.580) 9.166 6.401 ( -3.360 -1.940 -9.446) 10.212 6.652 ( -6.225 -3.594 -6.968) 10.011 6.791 ( -5.475 -3.161 5.223) 8.200 7.059 ( -5.000 -2.887 -2.227) 6.188 7.104 ( -0.201 -0.116 -0.044) 0.236 7.259 ( 4.361 2.518 0.762) 5.093 7.461 ( -0.588 -0.339 7.365) 7.397 7.484 ( -16.892 -9.753 -1.052) 19.534 7.572 ( -0.146 -0.084 0.413) 0.446 7.763 ( 5.617 3.243 5.517) 8.515 8.071 ( -6.473 -3.737 4.989) 8.986 8.346 ( -12.543 -7.242 2.103) 14.636 8.348 ( -8.417 -4.860 -3.401) 10.298 8.397 ( -6.601 -3.811 -0.468) 7.636 8.454 ( -7.670 -4.428 0.688) 8.883 8.535 ( -9.540 -5.508 -0.900) 11.053 8.669 ( -6.020 -3.476 -6.062) 9.223 8.941 ( -2.239 -1.293 2.853) 3.850 9.161 ( -4.410 -2.546 -5.066) 7.183 9.340 ( -4.187 -2.418 4.892) 6.878 9.371 ( -3.220 -1.859 -1.606) 4.050 9.403 ( -2.027 -1.170 -10.416) 10.676 9.557 ( -1.367 -0.789 1.671) 2.299 9.642 ( -5.879 -3.394 1.658) 6.988 9.708 ( 1.122 0.648 -4.152) 4.350 10.039 ( 3.976 2.296 4.277) 6.275 10.368 ( -7.167 -4.138 -6.182) 10.330 10.498 ( -0.400 -0.231 7.226) 7.241 10.535 ( 1.453 0.839 0.615) 1.787 10.629 ( 6.718 3.879 -0.261) 7.762 10.828 ( 5.063 2.923 -0.816) 5.903 10.869 ( -0.540 -0.312 1.660) 1.773 10.991 ( -7.296 -4.212 1.794) 8.613 11.271 ( -0.285 -0.164 6.619) 6.627 11.326 ( -3.937 -2.273 -2.457) 5.168 11.379 ( -7.771 -4.486 -1.156) 9.047 11.414 ( 2.688 1.552 2.518) 3.997 11.647 ( -0.592 -0.342 -4.841) 4.889 11.665 ( -4.285 -2.474 2.651) 5.613 11.951 ( 3.189 1.841 -3.544) 5.111 12.074 ( -1.754 -1.013 1.756) 2.681 12.129 ( -2.290 -1.322 -3.540) 4.419 12.146 ( 4.519 2.609 -1.751) 5.504 12.261 ( 6.481 3.742 2.766) 7.978 12.332 ( 1.227 0.708 -1.754) 2.255 12.695 ( 1.545 0.892 -2.710) 3.245 12.880 ( -9.922 -5.729 2.253) 11.677 13.092 ( -0.136 -0.079 -1.475) 1.483 13.150 ( 12.777 7.377 8.725) 17.141 13.255 ( 3.299 1.905 -5.006) 6.291 13.528 ( 8.178 4.721 0.077) 9.443 14.057 ( 4.013 2.317 -0.204) 4.638 14.070 ( 5.795 3.346 0.252) 6.696 15.450 ( -2.650 -1.530 2.735) 4.104 15.531 ( -2.352 -1.358 -2.555) 3.729 16.197 ( -18.831 -10.872 1.482) 21.794 16.248 ( -16.637 -9.605 -1.652) 19.281 16.760 ( 1.144 0.660 -2.076) 2.460 16.760 ( -0.050 -0.029 1.046) 1.047 17.088 ( 1.671 0.965 -3.026) 3.589 17.190 ( -7.035 -4.061 3.388) 8.801 17.742 ( -10.421 -6.017 1.206) 12.094 18.050 ( -7.919 -4.572 -0.085) 9.144 18.676 ( 10.582 6.110 0.304) 12.223 18.869 ( 14.912 8.609 -0.709) 17.233 19.741 ( -1.320 -0.762 1.118) 1.890 19.887 ( 3.917 2.262 -1.035) 4.640 20.427 ( 13.870 8.008 -4.334) 16.592 20.459 ( 13.054 7.537 4.242) 15.659 21.662 ( 12.655 7.306 -0.932) 14.642 22.064 ( 4.765 2.751 0.643) 5.540 23.207 ( -10.600 -6.120 -1.859) 12.381 23.297 ( -2.147 -1.240 1.097) 2.711 23.327 ( -4.941 -2.852 0.457) 5.723 23.444 ( -5.912 -3.413 0.593) 6.853 ======================= Grid point 4 (5/58) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 26.412 15.249 -3.907) 30.748 3.043 ( 11.656 6.729 8.449) 15.891 3.054 ( 24.887 14.368 -10.430) 30.571 3.669 ( 4.948 2.857 -0.287) 5.721 3.946 ( 9.511 5.491 -10.658) 15.304 3.970 ( 4.694 2.710 12.262) 13.406 4.027 ( -3.469 -2.003 -0.911) 4.108 4.318 ( 0.731 0.422 15.473) 15.496 4.471 ( 7.398 4.271 -8.812) 12.273 5.098 ( 8.411 4.856 -5.405) 11.115 5.457 ( -9.193 -5.308 10.020) 14.597 5.683 ( -16.441 -9.492 -6.352) 20.018 5.955 ( 0.434 0.250 0.697) 0.858 6.078 ( 3.277 1.892 0.523) 3.820 6.168 ( -6.784 -3.917 -7.219) 10.652 6.372 ( -6.531 -3.771 0.672) 7.572 6.563 ( -13.066 -7.544 -4.787) 15.829 6.591 ( 3.808 2.199 7.056) 8.314 7.014 ( 1.787 1.032 -4.320) 4.788 7.129 ( 2.220 1.282 9.365) 9.709 7.212 ( -5.046 -2.913 -0.561) 5.853 7.315 ( 0.747 0.431 -6.044) 6.105 7.510 ( -3.312 -1.912 0.136) 3.827 7.548 ( 4.838 2.793 5.052) 7.532 7.868 ( 3.686 2.128 -2.319) 4.847 7.890 ( -11.100 -6.409 2.377) 13.036 8.054 ( -3.902 -2.253 5.342) 6.988 8.124 ( -6.661 -3.846 -1.662) 7.869 8.310 ( -6.397 -3.693 -3.630) 8.231 8.375 ( 2.840 1.640 3.925) 5.115 8.544 ( 5.575 3.219 0.434) 6.452 8.650 ( 2.031 1.173 -3.720) 4.397 8.868 ( -4.435 -2.561 3.866) 6.416 9.045 ( -5.211 -3.009 -5.242) 7.980 9.167 ( -10.091 -5.826 -0.528) 11.664 9.317 ( 1.974 1.140 4.247) 4.820 9.364 ( -1.171 -0.676 -6.976) 7.106 9.498 ( -2.258 -1.304 1.365) 2.943 9.638 ( 2.172 1.254 -0.315) 2.528 9.749 ( 1.168 0.674 -4.495) 4.692 10.003 ( -5.455 -3.150 4.521) 7.754 10.099 ( -14.356 -8.289 -5.021) 17.321 10.504 ( -0.102 -0.059 1.383) 1.388 10.569 ( -0.944 -0.545 5.481) 5.588 10.725 ( -3.983 -2.300 2.662) 5.314 10.821 ( 3.836 2.214 4.045) 5.998 10.948 ( 7.166 4.138 -3.348) 8.927 10.982 ( 0.984 0.568 -2.586) 2.824 11.163 ( -6.070 -3.505 -0.847) 7.060 11.236 ( 1.508 0.871 -0.798) 1.916 11.329 ( 0.500 0.289 -0.816) 0.999 11.497 ( 2.029 1.171 1.400) 2.729 11.531 ( -5.458 -3.151 3.522) 7.220 11.678 ( 2.606 1.504 0.172) 3.014 11.992 ( -5.488 -3.168 -0.214) 6.341 12.025 ( -4.934 -2.849 -2.920) 6.402 12.050 ( 5.096 2.942 0.832) 5.943 12.257 ( 4.769 2.753 -2.899) 6.223 12.368 ( 1.485 0.858 1.425) 2.230 12.378 ( 2.505 1.446 -1.810) 3.412 12.686 ( -7.015 -4.050 1.130) 8.178 12.720 ( 0.100 0.058 -0.708) 0.718 13.093 ( 1.535 0.886 0.527) 1.849 13.325 ( 3.407 1.967 -6.816) 7.870 13.418 ( 8.516 4.916 9.811) 13.890 13.674 ( 3.551 2.050 -2.232) 4.668 14.145 ( 3.489 2.014 -1.108) 4.179 14.216 ( 6.519 3.764 1.570) 7.689 15.353 ( -5.100 -2.945 2.015) 6.224 15.377 ( -8.278 -4.780 -2.689) 9.930 15.830 ( -12.869 -7.430 2.751) 15.113 15.878 ( -13.677 -7.896 -3.031) 16.081 16.798 ( 3.217 1.857 0.997) 3.846 16.805 ( 2.090 1.207 -1.233) 2.710 17.101 ( -1.517 -0.876 3.732) 4.123 17.145 ( 2.458 1.419 -4.658) 5.454 17.550 ( -5.862 -3.384 2.289) 7.145 17.854 ( -8.306 -4.795 -0.211) 9.593 18.927 ( 10.398 6.003 -0.592) 12.021 19.218 ( 14.001 8.083 0.101) 16.167 19.679 ( -3.905 -2.255 1.465) 4.741 19.948 ( 0.983 0.567 -1.805) 2.132 20.722 ( 10.745 6.204 -3.662) 12.937 20.734 ( 10.019 5.784 4.166) 12.296 21.896 ( 7.931 4.579 -0.614) 9.179 22.157 ( 3.035 1.752 0.587) 3.554 22.926 ( -12.429 -7.176 -1.492) 14.429 23.224 ( -3.647 -2.106 0.880) 4.302 23.272 ( -0.377 -0.217 0.297) 0.526 23.302 ( -5.787 -3.341 0.234) 6.686 ======================= Grid point 5 (6/58) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 10.392 6.000 -3.468) 12.491 3.331 ( 17.745 10.245 6.250) 21.423 3.493 ( 10.343 5.971 -6.969) 13.827 3.742 ( 2.604 1.504 3.017) 4.260 3.819 ( -14.112 -8.148 -2.787) 16.532 4.071 ( 2.241 1.294 4.410) 5.113 4.096 ( 3.119 1.801 -2.995) 4.684 4.302 ( 0.326 0.188 1.544) 1.589 4.630 ( 3.067 1.770 2.673) 4.436 5.148 ( 1.793 1.035 -8.218) 8.475 5.265 ( -7.004 -4.044 10.011) 12.870 5.316 ( -10.314 -5.955 -2.540) 12.177 5.904 ( -1.955 -1.129 1.111) 2.516 6.076 ( -0.443 -0.256 -5.958) 5.979 6.176 ( -7.567 -4.369 1.649) 8.891 6.206 ( 2.545 1.469 1.439) 3.272 6.304 ( -6.326 -3.652 -4.667) 8.668 6.718 ( 5.374 3.103 8.727) 10.708 6.987 ( -4.291 -2.477 -5.175) 7.164 7.102 ( -1.563 -0.903 3.392) 3.843 7.251 ( 2.399 1.385 3.644) 4.577 7.393 ( 5.487 3.168 -7.304) 9.669 7.519 ( 2.575 1.487 -2.444) 3.849 7.585 ( -1.745 -1.007 3.865) 4.358 7.661 ( -5.393 -3.114 0.589) 6.255 7.902 ( -0.686 -0.396 -2.271) 2.405 8.079 ( 3.340 1.928 6.553) 7.603 8.124 ( 4.415 2.549 0.447) 5.117 8.181 ( -4.681 -2.703 -5.519) 7.725 8.481 ( 6.006 3.467 1.476) 7.090 8.659 ( -6.147 -3.549 1.608) 7.278 8.680 ( 4.789 2.765 0.850) 5.594 8.739 ( -1.930 -1.115 0.574) 2.302 8.930 ( -3.942 -2.276 -3.111) 5.513 9.013 ( -2.655 -1.533 -1.376) 3.361 9.351 ( -0.087 -0.050 -2.409) 2.411 9.431 ( 7.007 4.046 4.641) 9.328 9.474 ( 0.062 0.036 0.509) 0.514 9.663 ( -1.396 -0.806 -0.775) 1.789 9.761 ( 0.562 0.324 -5.832) 5.868 9.780 ( -9.942 -5.740 -3.579) 12.025 9.851 ( -5.877 -3.393 6.336) 9.284 10.480 ( -3.257 -1.880 2.357) 4.438 10.495 ( -0.395 -0.228 -0.255) 0.522 10.764 ( -2.961 -1.710 -0.512) 3.457 10.766 ( 3.939 2.274 3.002) 5.449 10.991 ( -0.337 -0.195 -4.759) 4.775 11.019 ( -4.923 -2.843 0.577) 5.714 11.178 ( 7.754 4.477 0.587) 8.973 11.365 ( 2.281 1.317 -1.231) 2.907 11.365 ( 5.432 3.136 1.557) 6.462 11.431 ( -3.258 -1.881 2.044) 4.281 11.535 ( 2.588 1.494 -7.556) 8.125 11.653 ( -5.297 -3.058 10.525) 12.173 11.899 ( -2.994 -1.729 -9.475) 10.086 11.928 ( -1.315 -0.759 4.893) 5.123 12.168 ( 4.117 2.377 2.008) 5.161 12.337 ( 0.682 0.394 -2.679) 2.792 12.353 ( -0.729 -0.421 0.177) 0.860 12.433 ( 1.676 0.967 -0.872) 2.122 12.560 ( -3.198 -1.847 0.755) 3.770 12.700 ( -1.204 -0.695 0.060) 1.392 13.149 ( 2.079 1.200 0.794) 2.529 13.390 ( 1.758 1.015 -3.750) 4.264 13.548 ( 2.631 1.519 4.875) 5.744 13.707 ( 0.095 0.055 -1.383) 1.388 14.211 ( 1.756 1.014 -0.716) 2.150 14.352 ( 3.993 2.306 1.188) 4.762 15.214 ( -4.556 -2.631 -1.239) 5.405 15.252 ( -2.621 -1.513 0.585) 3.083 15.613 ( -4.935 -2.849 1.067) 5.798 15.649 ( -5.293 -3.056 -1.288) 6.246 16.842 ( 0.857 0.495 -0.533) 1.124 16.881 ( 2.732 1.577 0.346) 3.173 17.086 ( -0.175 -0.101 1.772) 1.784 17.183 ( 0.699 0.404 -2.035) 2.189 17.466 ( -1.597 -0.922 1.227) 2.215 17.696 ( -4.204 -2.427 -0.299) 4.863 19.132 ( 5.945 3.432 -0.633) 6.894 19.477 ( 6.846 3.952 0.437) 7.917 19.579 ( -3.633 -2.097 0.938) 4.298 19.937 ( -1.215 -0.702 -1.178) 1.832 20.903 ( 4.193 2.421 -1.479) 5.062 20.904 ( 3.931 2.270 1.823) 4.892 22.044 ( 4.232 2.443 -0.031) 4.887 22.204 ( 1.018 0.588 0.244) 1.201 22.680 ( -6.964 -4.021 -0.872) 8.089 23.168 ( -0.890 -0.514 1.187) 1.570 23.194 ( -2.979 -1.720 -0.669) 3.505 23.269 ( 0.015 0.009 0.071) 0.073 ======================= Grid point 12 (7/58) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 14.957 25.907 0.000) 29.915 1.553 ( 21.452 37.156 0.000) 42.904 2.633 ( 4.191 7.259 0.000) 8.382 2.737 ( 35.702 61.838 0.000) 71.404 2.825 ( 7.551 13.078 0.000) 15.102 3.250 ( 8.549 14.808 0.000) 17.099 3.485 ( 12.373 21.431 0.000) 24.746 4.128 ( -3.242 -5.615 0.000) 6.484 4.168 ( -1.607 -2.784 0.000) 3.215 4.472 ( 1.930 3.343 0.000) 3.860 5.895 ( 1.538 2.665 0.000) 3.077 5.943 ( -3.369 -5.836 0.000) 6.739 6.176 ( -3.179 -5.506 0.000) 6.358 6.213 ( -1.721 -2.980 0.000) 3.441 6.290 ( -2.333 -4.041 0.000) 4.666 6.467 ( -0.159 -0.275 0.000) 0.318 6.817 ( -2.186 -3.786 0.000) 4.371 6.852 ( -1.824 -3.159 0.000) 3.647 7.042 ( 2.314 4.009 0.000) 4.629 7.044 ( -1.518 -2.629 0.000) 3.035 7.236 ( 1.924 3.332 0.000) 3.847 7.515 ( 2.557 4.429 0.000) 5.114 7.544 ( 4.597 7.963 0.000) 9.194 7.695 ( -5.946 -10.299 0.000) 11.892 8.007 ( -7.743 -13.411 0.000) 15.486 8.154 ( -0.388 -0.672 0.000) 0.775 8.470 ( -1.451 -2.513 0.000) 2.902 8.535 ( -4.730 -8.193 0.000) 9.461 8.752 ( -4.681 -8.108 0.000) 9.363 8.893 ( -9.014 -15.613 0.000) 18.028 8.927 ( -7.269 -12.590 0.000) 14.537 9.022 ( -8.643 -14.969 0.000) 17.285 9.215 ( -5.187 -8.984 0.000) 10.374 9.269 ( -0.019 -0.033 0.000) 0.038 9.282 ( -5.453 -9.445 0.000) 10.907 9.446 ( -0.588 -1.019 0.000) 1.176 9.467 ( -3.897 -6.750 0.000) 7.794 9.537 ( -0.649 -1.124 0.000) 1.298 9.703 ( 3.890 6.737 0.000) 7.780 9.826 ( 2.087 3.615 0.000) 4.174 10.102 ( -2.915 -5.050 0.000) 5.831 10.271 ( -2.261 -3.916 0.000) 4.522 10.522 ( -4.373 -7.574 0.000) 8.745 10.546 ( 0.541 0.937 0.000) 1.082 10.685 ( 0.268 0.465 0.000) 0.537 10.843 ( 0.759 1.315 0.000) 1.518 10.888 ( 0.415 0.719 0.000) 0.831 10.961 ( -0.712 -1.233 0.000) 1.424 11.216 ( -3.276 -5.674 0.000) 6.552 11.279 ( 3.921 6.791 0.000) 7.841 11.395 ( -2.949 -5.107 0.000) 5.897 11.667 ( -1.578 -2.733 0.000) 3.156 11.706 ( 8.646 14.976 0.000) 17.293 11.748 ( 6.631 11.486 0.000) 13.262 11.860 ( -3.209 -5.558 0.000) 6.418 11.869 ( -2.747 -4.758 0.000) 5.494 12.015 ( 5.681 9.840 0.000) 11.362 12.155 ( -1.100 -1.904 0.000) 2.199 12.262 ( -0.568 -0.985 0.000) 1.137 12.349 ( 0.169 0.293 0.000) 0.338 12.672 ( -1.313 -2.275 0.000) 2.627 12.817 ( 4.259 7.376 0.000) 8.518 12.862 ( 10.155 17.589 0.000) 20.310 13.126 ( -0.265 -0.459 0.000) 0.530 13.320 ( -6.727 -11.651 0.000) 13.454 13.361 ( -1.244 -2.154 0.000) 2.487 13.888 ( 2.034 3.523 0.000) 4.068 13.955 ( 2.279 3.947 0.000) 4.557 15.224 ( 5.333 9.237 0.000) 10.666 15.568 ( 5.546 9.607 0.000) 11.093 16.613 ( -6.771 -11.728 0.000) 13.543 16.766 ( -1.624 -2.813 0.000) 3.249 16.775 ( -6.207 -10.752 0.000) 12.415 16.836 ( -0.101 -0.175 0.000) 0.203 17.186 ( -11.960 -20.715 0.000) 23.920 17.693 ( -7.751 -13.426 0.000) 15.503 18.121 ( -8.049 -13.942 0.000) 16.098 18.220 ( -1.424 -2.466 0.000) 2.848 18.333 ( 0.984 1.704 0.000) 1.967 18.437 ( 4.154 7.195 0.000) 8.308 19.722 ( 0.365 0.632 0.000) 0.730 19.762 ( 2.904 5.031 0.000) 5.809 20.064 ( 9.324 16.149 0.000) 18.647 20.071 ( 8.475 14.680 0.000) 16.951 21.122 ( 13.377 23.169 0.000) 26.753 21.910 ( 3.095 5.360 0.000) 6.190 23.365 ( -2.566 -4.445 0.000) 5.132 23.465 ( -3.222 -5.581 0.000) 6.444 23.476 ( -2.509 -4.346 0.000) 5.018 23.587 ( -1.978 -3.427 0.000) 3.957 ======================= Grid point 13 (8/58) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 26.724 16.794 -4.328) 31.858 2.281 ( 19.840 34.908 -4.972) 40.459 2.778 ( 2.343 12.849 13.236) 18.595 3.191 ( 18.789 8.242 -8.747) 22.304 3.557 ( 9.991 12.428 -9.158) 18.389 3.799 ( 15.926 12.411 8.456) 21.890 3.952 ( 14.459 18.914 7.842) 25.066 4.086 ( 3.411 11.858 12.130) 17.302 4.177 ( 14.476 11.619 -10.736) 21.444 4.502 ( -0.903 -1.195 -5.207) 5.418 5.775 ( -7.135 -8.780 -0.486) 11.324 5.934 ( -0.090 -0.272 -2.817) 2.832 6.037 ( -5.406 -5.922 -0.841) 8.062 6.166 ( -4.851 -6.256 1.671) 8.091 6.229 ( 3.473 3.298 5.667) 7.419 6.425 ( -2.986 -4.227 -6.246) 8.111 6.742 ( -5.381 -0.217 -8.104) 9.730 6.815 ( 0.850 -1.997 8.746) 9.012 6.996 ( 0.401 -6.102 -1.094) 6.212 7.145 ( 3.765 4.530 0.416) 5.905 7.250 ( -2.681 0.722 -1.376) 3.099 7.434 ( -6.206 -12.336 2.745) 14.080 7.567 ( -2.284 -3.345 2.586) 4.806 7.674 ( -11.572 -8.664 -4.131) 15.035 7.749 ( 6.237 10.166 4.727) 12.829 8.104 ( -3.629 -5.271 3.773) 7.429 8.379 ( -5.552 -7.651 -2.682) 9.826 8.393 ( -2.613 -5.471 2.804) 6.680 8.464 ( -9.505 -10.714 -1.021) 14.359 8.587 ( -8.932 -9.823 -0.449) 13.285 8.663 ( -10.378 -9.711 0.530) 14.223 8.801 ( -11.257 -4.244 -3.503) 12.530 8.929 ( -2.233 -7.868 0.257) 8.183 9.155 ( -2.852 -11.130 1.374) 11.571 9.243 ( -2.293 -3.162 -6.588) 7.659 9.330 ( -4.040 -6.493 0.493) 7.663 9.441 ( 5.650 -3.202 1.475) 6.659 9.558 ( 0.457 1.133 -0.732) 1.424 9.803 ( -3.764 9.451 -7.674) 12.743 9.912 ( -2.653 4.505 5.152) 7.340 9.988 ( -5.141 6.504 2.852) 8.767 10.274 ( 5.168 -5.858 2.528) 8.211 10.419 ( 0.712 -4.287 -2.526) 5.027 10.595 ( 7.210 -8.004 -0.215) 10.775 10.688 ( -5.322 10.247 -2.389) 11.792 10.781 ( -7.453 7.396 3.402) 11.037 10.908 ( 0.946 1.922 -1.345) 2.530 11.056 ( 0.343 -11.917 -0.136) 11.923 11.083 ( 6.962 -4.109 4.841) 9.423 11.287 ( -2.176 -3.533 -1.535) 4.424 11.421 ( 4.091 3.048 2.688) 5.766 11.575 ( -6.405 -2.535 1.646) 7.082 11.625 ( -8.194 -0.960 -2.663) 8.669 11.800 ( -5.704 0.418 0.390) 5.733 11.866 ( 4.485 -4.002 -1.450) 6.184 11.981 ( 7.088 -0.938 0.153) 7.152 12.105 ( -2.098 -1.098 -2.008) 3.105 12.185 ( 0.638 9.965 -2.270) 10.240 12.305 ( 1.468 8.861 0.284) 8.986 12.435 ( 0.084 9.213 1.309) 9.306 12.653 ( 3.192 -2.217 -0.816) 3.971 12.928 ( -2.556 -2.727 -1.128) 3.904 13.015 ( 3.750 -0.067 5.740) 6.857 13.125 ( 3.377 5.030 -2.890) 6.713 13.244 ( -3.326 2.025 -1.412) 4.142 13.393 ( 9.767 0.913 1.467) 9.918 13.984 ( 4.838 2.335 0.451) 5.391 14.041 ( 2.927 4.282 -0.569) 5.218 15.330 ( 4.649 -3.813 1.774) 6.268 15.686 ( -5.905 5.886 -3.129) 8.905 16.216 ( -12.454 -27.624 2.768) 30.427 16.459 ( -12.285 -8.982 -0.707) 15.235 16.735 ( 0.925 -1.128 -1.492) 2.086 16.832 ( -2.823 5.175 1.691) 6.133 17.060 ( 2.611 -0.660 -2.710) 3.821 17.372 ( -14.641 -4.536 1.911) 15.446 17.827 ( -9.116 -11.338 0.406) 14.554 18.112 ( -5.286 -6.175 -0.151) 8.130 18.473 ( 11.869 0.674 0.245) 11.891 18.662 ( 13.299 5.844 -0.403) 14.532 19.725 ( -0.245 -0.597 0.721) 0.968 19.880 ( 3.736 4.747 -0.929) 6.112 20.383 ( 8.498 17.833 0.880) 19.774 20.420 ( 9.437 18.406 -0.696) 20.696 21.526 ( 11.964 11.454 -0.531) 16.571 22.030 ( 3.939 5.245 0.325) 6.567 23.275 ( -3.160 -4.876 -1.333) 5.962 23.303 ( -6.056 -8.458 1.043) 10.455 23.379 ( -3.577 -3.413 0.180) 4.948 23.488 ( -4.220 -5.160 0.316) 6.673 ======================= Grid point 14 (9/58) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 29.088 12.998 -4.687) 32.203 2.944 ( 17.209 30.073 -7.562) 35.464 2.985 ( 6.148 13.126 10.018) 17.619 3.566 ( 13.327 6.067 -3.999) 15.179 3.799 ( 5.238 -0.711 -4.630) 7.027 3.867 ( 6.393 0.897 3.340) 7.268 4.132 ( -1.594 5.669 2.732) 6.492 4.276 ( 9.318 10.456 18.531) 23.228 4.433 ( -1.373 -2.444 -13.754) 14.037 4.935 ( 20.608 17.029 -0.923) 26.750 5.537 ( -8.329 -9.422 4.431) 13.334 5.829 ( -8.920 -7.467 -5.166) 12.728 5.917 ( -1.178 -4.007 -1.462) 4.425 6.010 ( -3.143 -8.118 -0.217) 8.708 6.237 ( -7.438 -8.872 -5.233) 12.705 6.329 ( 2.070 -5.371 5.149) 7.723 6.629 ( -4.478 -1.256 3.350) 5.732 6.779 ( -9.455 2.654 -4.262) 10.705 6.952 ( 1.940 -1.969 -2.403) 3.662 7.141 ( -1.763 0.372 -0.273) 1.822 7.271 ( -2.636 -3.949 2.376) 5.309 7.295 ( -0.652 -2.520 -2.641) 3.708 7.360 ( 6.575 -7.787 2.583) 10.514 7.595 ( -4.031 1.479 4.419) 6.162 7.932 ( -3.066 1.539 5.719) 6.669 7.947 ( -1.785 1.060 -0.634) 2.171 8.113 ( -5.541 -7.483 2.240) 9.577 8.235 ( -8.980 -8.920 -3.793) 13.213 8.317 ( -5.392 -2.742 -0.012) 6.049 8.441 ( -0.117 0.501 -0.732) 0.895 8.506 ( -2.727 2.446 1.432) 3.933 8.660 ( -1.152 0.818 -3.372) 3.656 8.871 ( -0.560 -4.896 0.332) 4.939 8.985 ( -1.598 -13.357 2.110) 13.617 9.135 ( -4.738 -4.900 -7.443) 10.092 9.254 ( 2.119 -4.525 0.564) 5.029 9.516 ( 5.341 -3.935 0.848) 6.688 9.552 ( -1.040 0.511 1.452) 1.857 9.760 ( -16.374 16.682 -3.780) 23.678 9.852 ( -4.465 7.791 -3.873) 9.780 9.964 ( -2.078 -7.105 5.300) 9.104 10.271 ( -7.420 -2.902 -2.022) 8.220 10.429 ( 2.521 -4.297 -0.248) 4.988 10.604 ( 5.820 1.966 0.777) 6.193 10.742 ( 6.224 -3.464 2.280) 7.479 10.779 ( -4.876 1.593 2.873) 5.879 10.864 ( 0.108 3.686 1.264) 3.898 11.014 ( 0.149 0.748 -0.580) 0.958 11.125 ( 1.512 -5.828 1.811) 6.287 11.282 ( 1.868 -0.192 -3.596) 4.057 11.395 ( -8.511 4.039 1.478) 9.536 11.474 ( -1.753 -1.779 -1.479) 2.903 11.569 ( 0.806 -2.091 3.870) 4.472 11.699 ( -5.111 3.362 -0.077) 6.118 11.899 ( 5.924 -8.104 -1.443) 10.142 12.014 ( 0.582 -2.764 1.343) 3.128 12.089 ( -0.705 3.907 -3.261) 5.138 12.280 ( 0.654 6.784 -2.954) 7.428 12.392 ( -0.459 4.605 -2.388) 5.207 12.451 ( -5.932 6.245 2.660) 9.015 12.738 ( 3.450 4.915 2.384) 6.461 12.792 ( -7.028 -0.372 -1.728) 7.247 13.091 ( -2.670 -0.510 -0.832) 2.843 13.226 ( 9.181 -1.048 0.350) 9.247 13.278 ( 7.529 0.357 2.800) 8.040 13.589 ( 7.832 1.665 -1.040) 8.074 14.089 ( 4.680 1.600 -0.167) 4.948 14.153 ( 5.022 4.379 0.503) 6.682 15.316 ( 0.329 -8.984 3.458) 9.632 15.468 ( -12.167 -8.743 -6.948) 16.515 15.796 ( -6.229 -23.011 4.916) 24.340 16.137 ( -16.008 -4.530 -1.643) 16.718 16.776 ( 3.323 1.234 -2.843) 4.544 16.845 ( -3.057 7.409 2.269) 8.330 17.146 ( 2.456 3.776 -4.060) 6.065 17.155 ( -5.407 -1.043 3.507) 6.529 17.599 ( -5.970 -7.271 1.565) 9.538 17.932 ( -7.131 -6.858 0.009) 9.894 18.715 ( 14.396 0.296 -0.489) 14.407 18.991 ( 16.728 4.907 -0.015) 17.433 19.691 ( -1.763 -2.954 1.126) 3.620 19.969 ( 1.087 3.702 -1.627) 4.188 20.700 ( 7.022 16.690 3.066) 18.365 20.757 ( 5.542 21.503 -2.422) 22.337 21.783 ( 8.974 4.363 -0.686) 10.002 22.141 ( 2.837 4.648 0.467) 5.465 23.034 ( -10.456 -10.966 -1.187) 15.199 23.205 ( -0.956 -6.337 0.881) 6.469 23.299 ( -2.475 -1.779 0.008) 3.049 23.347 ( -4.812 -5.577 0.408) 7.378 ======================= Grid point 15 (10/58) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 27.122 10.571 -3.969) 29.379 3.211 ( 6.348 8.731 4.687) 11.768 3.466 ( 9.679 20.091 -6.821) 23.321 3.695 ( 1.538 -1.216 3.654) 4.146 3.877 ( 4.484 -1.960 1.080) 5.012 4.020 ( 6.215 2.257 -5.569) 8.645 4.143 ( -4.601 5.176 3.621) 7.815 4.318 ( -1.549 1.223 2.281) 3.016 4.590 ( 6.756 6.843 2.989) 10.070 5.125 ( 0.993 -1.409 -7.461) 7.658 5.326 ( -5.996 -7.173 9.277) 13.171 5.480 ( -16.340 -9.481 -3.062) 19.138 5.796 ( 0.163 -14.772 1.866) 14.891 5.960 ( 1.934 -11.320 -5.757) 12.846 6.113 ( 2.743 -3.814 -1.112) 4.828 6.207 ( -3.875 -9.297 3.330) 10.608 6.500 ( -12.258 -5.339 -5.709) 14.538 6.621 ( 3.516 -4.115 5.054) 7.405 7.021 ( -0.666 1.775 -0.985) 2.136 7.176 ( 5.411 0.085 -1.187) 5.540 7.222 ( -3.433 6.722 6.627) 10.045 7.375 ( 2.875 7.084 -7.471) 10.689 7.392 ( 3.890 -6.275 2.529) 7.804 7.583 ( 2.241 0.300 2.268) 3.202 7.776 ( -7.797 -0.634 2.704) 8.277 7.904 ( -1.644 -3.167 -5.423) 6.492 8.056 ( -1.961 -0.016 4.941) 5.316 8.179 ( 0.126 10.456 1.745) 10.601 8.208 ( -2.965 -1.975 -2.862) 4.570 8.497 ( 2.577 4.987 -2.196) 6.028 8.577 ( 4.994 1.749 2.324) 5.780 8.662 ( 1.165 -4.693 -0.889) 4.917 8.812 ( -1.292 -2.022 1.475) 2.817 8.858 ( -0.909 -4.657 2.496) 5.361 8.993 ( -4.831 -6.121 -7.025) 10.495 9.304 ( 6.801 -1.544 0.733) 7.013 9.504 ( -2.245 1.168 -0.256) 2.544 9.581 ( 3.164 -3.605 3.071) 5.695 9.674 ( -12.236 17.424 -3.697) 21.610 9.788 ( -6.284 -7.365 -0.658) 9.704 9.856 ( -2.392 0.006 3.674) 4.384 10.013 ( -14.112 -1.239 -3.287) 14.543 10.447 ( 2.352 -0.956 -0.803) 2.663 10.610 ( -8.312 1.291 2.480) 8.770 10.747 ( 3.574 3.327 0.904) 4.966 10.866 ( -3.708 2.804 4.682) 6.598 10.947 ( 10.467 -0.396 -4.424) 11.370 11.024 ( -0.531 -2.027 1.049) 2.343 11.113 ( 0.649 4.394 -1.399) 4.657 11.262 ( 1.250 -3.997 0.918) 4.287 11.344 ( -1.125 1.869 0.232) 2.194 11.474 ( 1.223 -3.332 -3.201) 4.779 11.525 ( -2.017 3.316 0.247) 3.889 11.681 ( -1.406 -1.855 6.404) 6.814 11.913 ( 1.343 -1.265 -7.371) 7.598 11.959 ( -2.810 -2.525 3.560) 5.191 12.160 ( 1.870 6.363 0.142) 6.633 12.328 ( 0.598 -1.463 -1.305) 2.050 12.399 ( -4.776 4.753 1.269) 6.857 12.437 ( 1.546 4.629 -2.872) 5.663 12.664 ( -8.424 2.214 -0.074) 8.711 12.802 ( -3.969 6.936 1.491) 8.129 13.089 ( 3.793 -1.270 0.308) 4.012 13.318 ( 5.330 -2.410 -6.791) 8.963 13.438 ( 8.482 -2.710 8.682) 12.437 13.677 ( 2.637 -1.541 -1.925) 3.610 14.180 ( 3.290 2.090 -0.900) 4.000 14.298 ( 5.963 3.994 1.815) 7.403 15.135 ( -2.927 -14.778 -2.364) 15.249 15.245 ( -3.794 -10.935 0.707) 11.596 15.525 ( -0.131 -17.816 1.191) 17.856 15.855 ( -12.690 0.997 -0.659) 12.747 16.844 ( 0.112 3.377 -0.682) 3.447 16.895 ( 2.346 5.662 -2.140) 6.492 17.066 ( -2.711 -0.856 4.985) 5.739 17.244 ( 1.030 4.866 -3.239) 5.935 17.468 ( -2.532 -4.067 1.859) 5.139 17.748 ( -5.838 -5.256 -0.265) 7.860 18.957 ( 12.520 -0.825 -0.786) 12.572 19.302 ( 13.252 1.920 0.480) 13.399 19.608 ( -2.900 -4.247 1.095) 5.258 19.988 ( -1.836 1.737 -1.632) 3.008 20.943 ( 1.887 14.576 2.768) 14.956 21.024 ( -0.976 21.718 -2.080) 21.839 21.952 ( 7.329 1.150 -0.272) 7.424 22.219 ( 0.949 4.104 0.337) 4.226 22.740 ( -8.848 -11.243 -1.147) 14.353 23.131 ( 0.631 -6.767 1.436) 6.946 23.195 ( -2.722 -6.537 -0.649) 7.111 23.283 ( -0.985 0.445 0.159) 1.092 ======================= Grid point 16 (11/58) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( -1.459 2.527 0.000) 2.918 3.419 ( 2.702 -4.681 -0.000) 5.405 3.490 ( 2.431 -4.211 0.000) 4.863 3.729 ( -1.906 3.302 -0.000) 3.813 3.892 ( -4.693 8.128 -0.000) 9.386 4.109 ( -0.153 0.265 -0.000) 0.305 4.113 ( -1.236 2.140 0.000) 2.472 4.325 ( -1.685 2.918 0.000) 3.370 4.669 ( -1.263 2.188 -0.000) 2.526 5.142 ( 1.844 -3.194 0.000) 3.688 5.235 ( 1.044 -1.808 0.000) 2.087 5.236 ( -1.595 2.762 -0.000) 3.189 5.711 ( 8.124 -14.071 0.000) 16.248 5.905 ( 7.384 -12.790 -0.000) 14.769 6.076 ( 1.209 -2.094 0.000) 2.418 6.150 ( 3.719 -6.442 -0.000) 7.438 6.351 ( 0.053 -0.093 0.000) 0.107 6.646 ( 5.613 -9.722 -0.000) 11.226 6.998 ( -0.820 1.420 -0.000) 1.639 7.204 ( -5.449 9.439 0.000) 10.899 7.256 ( -0.302 0.523 -0.000) 0.603 7.383 ( 5.366 -9.295 -0.000) 10.733 7.487 ( -3.187 5.519 -0.000) 6.373 7.570 ( 1.317 -2.280 -0.000) 2.633 7.738 ( -5.006 8.670 0.000) 10.011 7.861 ( 1.849 -3.202 -0.000) 3.697 8.102 ( -0.712 1.234 -0.000) 1.425 8.124 ( -1.002 1.736 0.000) 2.005 8.261 ( -3.662 6.343 -0.000) 7.324 8.585 ( -1.344 2.328 -0.000) 2.688 8.598 ( 3.450 -5.975 0.000) 6.900 8.644 ( 2.118 -3.669 0.000) 4.236 8.803 ( -1.901 3.292 -0.000) 3.801 8.857 ( 2.269 -3.929 -0.000) 4.537 8.882 ( -1.662 2.879 0.000) 3.324 9.412 ( 4.149 -7.186 0.000) 8.298 9.496 ( -0.979 1.696 0.000) 1.958 9.530 ( -0.218 0.378 -0.000) 0.437 9.670 ( -6.881 11.918 -0.000) 13.762 9.684 ( 2.091 -3.621 0.000) 4.181 9.804 ( 0.879 -1.523 0.000) 1.758 9.876 ( -6.691 11.590 -0.000) 13.383 10.474 ( 0.288 -0.498 0.000) 0.575 10.529 ( -3.331 5.770 0.000) 6.662 10.771 ( -0.717 1.242 0.000) 1.435 10.898 ( -4.376 7.579 0.000) 8.751 10.966 ( 0.223 -0.387 -0.000) 0.447 11.010 ( -0.864 1.497 -0.000) 1.728 11.182 ( 1.834 -3.176 -0.000) 3.667 11.284 ( 4.541 -7.864 -0.000) 9.081 11.355 ( 0.730 -1.264 0.000) 1.459 11.426 ( 0.270 -0.467 0.000) 0.540 11.559 ( -0.038 0.066 0.000) 0.076 11.655 ( -1.498 2.595 -0.000) 2.997 11.854 ( 1.287 -2.229 -0.000) 2.573 11.961 ( -1.654 2.864 0.000) 3.307 12.227 ( -1.375 2.381 0.000) 2.749 12.305 ( 0.949 -1.643 -0.000) 1.897 12.382 ( -2.008 3.478 -0.000) 4.016 12.522 ( -3.864 6.692 0.000) 7.728 12.562 ( -1.606 2.782 -0.000) 3.212 12.787 ( -4.057 7.027 0.000) 8.114 13.132 ( 1.423 -2.465 -0.000) 2.847 13.357 ( 2.362 -4.090 -0.000) 4.723 13.498 ( 3.435 -5.950 0.000) 6.871 13.684 ( 1.366 -2.366 0.000) 2.731 14.225 ( -0.528 0.915 -0.000) 1.057 14.389 ( -0.435 0.754 -0.000) 0.871 15.025 ( 6.722 -11.643 0.000) 13.444 15.132 ( 5.542 -9.599 -0.000) 11.084 15.435 ( 7.100 -12.297 0.000) 14.199 15.746 ( -4.164 7.212 -0.000) 8.327 16.859 ( -1.501 2.600 -0.000) 3.003 16.982 ( -3.222 5.580 0.000) 6.444 17.019 ( 1.567 -2.713 -0.000) 3.133 17.275 ( -2.192 3.796 0.000) 4.383 17.426 ( 1.327 -2.298 -0.000) 2.654 17.662 ( 0.409 -0.708 0.000) 0.817 19.081 ( 3.552 -6.153 -0.000) 7.105 19.433 ( 2.498 -4.326 -0.000) 4.995 19.553 ( 1.244 -2.154 0.000) 2.487 19.970 ( -1.218 2.109 -0.000) 2.436 21.038 ( -6.119 10.598 0.000) 12.238 21.131 ( -10.387 17.990 0.000) 20.773 22.037 ( 1.470 -2.547 -0.000) 2.941 22.253 ( -1.934 3.350 -0.000) 3.869 22.578 ( 3.331 -5.769 0.000) 6.661 23.102 ( 4.034 -6.988 -0.000) 8.069 23.131 ( 1.711 -2.964 0.000) 3.423 23.279 ( -0.380 0.659 -0.000) 0.760 ======================= Grid point 25 (12/58) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 14.432 24.996 0.000) 28.863 2.958 ( 18.062 31.285 0.000) 36.125 3.035 ( 6.607 11.444 0.000) 13.215 3.423 ( 8.280 14.342 0.000) 16.561 3.777 ( -3.086 -5.345 0.000) 6.172 3.791 ( 5.822 10.084 0.000) 11.644 4.177 ( 1.889 3.272 0.000) 3.779 4.243 ( 8.416 14.576 0.000) 16.831 4.438 ( -2.521 -4.366 0.000) 5.042 4.822 ( 16.037 27.778 0.000) 32.075 5.560 ( -6.842 -11.851 0.000) 13.685 5.850 ( -4.972 -8.613 0.000) 9.945 5.919 ( -2.752 -4.767 0.000) 5.504 6.023 ( -4.158 -7.201 0.000) 8.315 6.245 ( -8.078 -13.991 0.000) 16.155 6.280 ( -0.344 -0.596 0.000) 0.689 6.661 ( -5.711 -9.891 0.000) 11.422 6.868 ( 4.286 7.423 0.000) 8.571 6.945 ( -0.676 -1.170 0.000) 1.352 7.172 ( -4.130 -7.154 0.000) 8.260 7.224 ( 0.260 0.451 0.000) 0.521 7.264 ( 1.867 3.234 0.000) 3.734 7.303 ( -7.651 -13.251 0.000) 15.301 7.646 ( 0.305 0.529 0.000) 0.611 7.941 ( -4.298 -7.444 0.000) 8.596 8.006 ( 6.515 11.285 0.000) 13.031 8.110 ( -8.419 -14.581 0.000) 16.837 8.246 ( -4.317 -7.476 0.000) 8.633 8.356 ( -1.941 -3.362 0.000) 3.882 8.456 ( -2.168 -3.756 0.000) 4.336 8.557 ( -0.567 -0.982 0.000) 1.134 8.724 ( -2.772 -4.802 0.000) 5.545 8.808 ( -1.318 -2.282 0.000) 2.635 8.938 ( -4.510 -7.812 0.000) 9.021 9.166 ( -2.216 -3.839 0.000) 4.433 9.228 ( -4.215 -7.300 0.000) 8.430 9.390 ( 0.871 1.509 0.000) 1.743 9.570 ( 0.192 0.332 0.000) 0.384 9.889 ( -1.323 -2.291 0.000) 2.645 9.967 ( -0.611 -1.059 0.000) 1.223 10.180 ( 5.199 9.004 0.000) 10.397 10.273 ( 4.216 7.303 0.000) 8.433 10.365 ( -1.128 -1.954 0.000) 2.256 10.427 ( -4.078 -7.064 0.000) 8.157 10.737 ( -3.459 -5.991 0.000) 6.918 10.853 ( -0.940 -1.627 0.000) 1.879 10.895 ( 0.639 1.107 0.000) 1.279 10.968 ( 1.791 3.103 0.000) 3.583 11.046 ( -0.289 -0.501 0.000) 0.579 11.307 ( 3.235 5.604 0.000) 6.471 11.453 ( -3.559 -6.164 0.000) 7.117 11.485 ( 0.710 1.230 0.000) 1.420 11.643 ( -2.248 -3.894 0.000) 4.496 11.702 ( 1.029 1.782 0.000) 2.058 11.838 ( -1.972 -3.415 0.000) 3.943 11.952 ( -0.083 -0.144 0.000) 0.167 12.122 ( 1.411 2.444 0.000) 2.822 12.372 ( -0.733 -1.270 0.000) 1.467 12.387 ( 3.892 6.741 0.000) 7.783 12.570 ( -1.152 -1.996 0.000) 2.304 12.689 ( 6.391 11.070 0.000) 12.782 12.913 ( 0.326 0.565 0.000) 0.653 13.061 ( 2.348 4.067 0.000) 4.696 13.176 ( -3.654 -6.329 0.000) 7.308 13.183 ( 1.217 2.109 0.000) 2.435 13.500 ( 3.923 6.795 0.000) 7.847 14.047 ( 2.298 3.981 0.000) 4.597 14.133 ( 2.744 4.752 0.000) 5.487 15.251 ( -2.731 -4.730 0.000) 5.462 15.613 ( -7.486 -12.966 0.000) 14.971 15.652 ( -14.240 -24.665 0.000) 28.480 16.267 ( -6.172 -10.690 0.000) 12.344 16.743 ( 1.360 2.355 0.000) 2.719 16.981 ( 3.783 6.553 0.000) 7.567 17.065 ( 0.938 1.625 0.000) 1.877 17.239 ( -4.132 -7.157 0.000) 8.264 17.615 ( -4.894 -8.476 0.000) 9.787 17.960 ( -4.956 -8.585 0.000) 9.913 18.562 ( 4.763 8.249 0.000) 9.526 18.849 ( 7.255 12.566 0.000) 14.510 19.694 ( -1.632 -2.826 0.000) 3.263 19.972 ( 2.122 3.675 0.000) 4.244 20.741 ( 10.091 17.479 0.000) 20.183 20.839 ( 12.299 21.303 0.000) 24.598 21.716 ( 4.330 7.500 0.000) 8.660 22.141 ( 3.126 5.414 0.000) 6.252 23.071 ( -7.834 -13.569 0.000) 15.668 23.174 ( -3.335 -5.777 0.000) 6.671 23.311 ( -2.241 -3.881 0.000) 4.481 23.361 ( -3.642 -6.308 0.000) 7.284 ======================= Grid point 26 (13/58) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 20.763 19.189 -2.110) 28.351 3.238 ( 3.464 11.219 3.349) 12.209 3.515 ( 11.188 23.535 -4.238) 26.401 3.668 ( -0.139 -1.337 2.318) 2.680 3.723 ( 9.783 2.573 -0.129) 10.116 3.951 ( 4.786 4.440 -2.083) 6.852 4.245 ( -0.480 4.523 1.420) 4.764 4.367 ( -1.501 1.525 1.226) 2.466 4.534 ( 8.985 10.797 0.879) 14.074 5.086 ( 1.217 -1.102 -2.497) 2.988 5.336 ( -5.216 -9.278 3.713) 11.273 5.619 ( -8.404 -12.476 0.086) 15.043 5.745 ( -12.402 -10.454 -3.181) 16.529 5.896 ( -5.753 -10.612 -2.437) 12.315 5.974 ( 3.149 -10.115 2.593) 10.907 6.184 ( -4.112 -8.763 0.664) 9.703 6.460 ( -2.382 -13.323 2.116) 13.698 6.648 ( -12.162 -16.351 -3.771) 20.724 7.062 ( 1.504 5.875 1.007) 6.148 7.096 ( 1.970 -1.118 -2.939) 3.710 7.210 ( 1.256 -3.243 4.132) 5.401 7.362 ( 2.371 4.942 0.383) 5.495 7.405 ( 8.733 16.389 -3.259) 18.854 7.634 ( -3.995 2.735 3.398) 5.915 7.819 ( -1.501 -3.008 8.038) 8.712 7.886 ( -2.673 -8.108 -9.276) 12.607 8.092 ( -2.058 -2.338 2.050) 3.729 8.237 ( 2.886 7.222 0.262) 7.782 8.292 ( -3.360 0.993 0.042) 3.504 8.423 ( 2.229 -2.603 -1.128) 3.607 8.598 ( -0.877 4.839 -2.073) 5.337 8.644 ( -1.819 2.634 2.377) 3.987 8.785 ( 2.599 -3.525 -2.148) 4.878 8.865 ( -0.079 -0.367 1.459) 1.507 9.031 ( -7.828 -4.374 -2.180) 9.228 9.161 ( 4.796 -5.760 -0.620) 7.521 9.456 ( 4.339 -0.446 2.252) 4.909 9.571 ( -1.201 0.890 0.047) 1.496 9.793 ( -5.932 -7.484 5.275) 10.910 9.847 ( -3.214 -8.315 -5.181) 10.311 10.144 ( -16.568 12.712 -1.577) 20.942 10.257 ( -9.224 6.056 0.513) 11.046 10.400 ( 4.093 1.727 -2.985) 5.353 10.592 ( 16.931 -1.509 3.440) 17.342 10.713 ( 1.739 0.875 0.788) 2.100 10.794 ( -1.606 -0.081 -3.608) 3.950 10.879 ( 1.199 -0.566 4.504) 4.695 11.047 ( 4.160 0.042 0.685) 4.216 11.068 ( 0.566 -0.017 0.303) 0.643 11.312 ( -6.603 0.956 -1.141) 6.768 11.416 ( -0.547 1.517 -4.189) 4.489 11.509 ( 4.117 -0.288 3.144) 5.188 11.532 ( -8.413 3.108 1.808) 9.150 11.718 ( -2.116 -5.029 0.807) 5.515 11.847 ( 3.606 5.130 -3.353) 7.111 11.946 ( 0.745 -4.227 1.650) 4.599 12.198 ( 1.953 5.713 -1.898) 6.329 12.304 ( -1.215 -3.663 0.042) 3.860 12.468 ( 0.064 3.794 -0.002) 3.795 12.542 ( -2.951 3.791 0.086) 4.805 12.862 ( -8.275 5.138 -2.863) 10.153 12.895 ( 3.390 8.826 4.559) 10.497 13.051 ( -2.511 -3.469 -1.747) 4.625 13.174 ( 7.162 -2.464 -4.599) 8.861 13.255 ( 6.515 -1.835 6.135) 9.135 13.599 ( 3.415 -0.914 -0.862) 3.639 14.145 ( 3.972 4.355 0.005) 5.894 14.240 ( 4.548 4.188 0.415) 6.196 15.097 ( -7.512 -11.484 1.962) 13.863 15.213 ( -8.713 -15.214 -7.231) 18.965 15.326 ( -3.306 -22.725 5.156) 23.536 16.031 ( -9.464 -6.585 -0.162) 11.531 16.832 ( 4.112 4.649 -2.145) 6.567 16.999 ( -5.447 6.704 1.521) 8.771 17.121 ( -2.671 -1.637 2.388) 3.939 17.177 ( 6.701 -1.980 -2.006) 7.269 17.493 ( -3.224 -2.806 0.411) 4.294 17.783 ( -5.238 -7.309 -0.044) 8.992 18.772 ( 9.702 6.085 -0.428) 11.460 19.139 ( 11.078 10.392 0.206) 15.191 19.608 ( -3.124 -5.641 0.516) 6.469 20.008 ( -0.170 -0.314 -0.788) 0.866 21.073 ( 5.551 19.514 1.449) 20.339 21.246 ( 6.247 25.240 -1.012) 26.021 21.845 ( 5.406 2.064 -0.311) 5.795 22.238 ( 1.993 4.429 0.162) 4.860 22.767 ( -9.498 -15.190 -0.523) 17.923 23.046 ( -2.143 -9.926 0.715) 10.180 23.178 ( -3.815 -7.699 -0.254) 8.597 23.300 ( -0.859 -0.562 0.075) 1.030 ======================= Grid point 27 (14/58) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 19.764 13.179 -2.985) 23.942 3.366 ( 0.099 6.629 1.978) 6.919 3.542 ( -7.906 -6.211 2.545) 10.371 3.777 ( 1.001 4.623 -1.957) 5.119 3.871 ( 5.793 -4.680 -0.350) 7.456 4.116 ( 3.790 5.234 -2.396) 6.892 4.238 ( -3.288 10.656 1.585) 11.264 4.423 ( -1.416 8.755 0.299) 8.873 4.715 ( 0.341 4.292 3.239) 5.388 5.050 ( 2.746 -5.427 -3.113) 6.832 5.209 ( -1.664 -4.075 -0.896) 4.492 5.349 ( -8.498 -3.142 2.362) 9.363 5.474 ( -0.901 -14.365 0.954) 14.425 5.710 ( 0.483 -11.940 -1.045) 11.996 5.976 ( 5.025 -9.059 -0.224) 10.361 6.027 ( -1.517 -8.223 0.634) 8.386 6.261 ( -0.686 -15.228 -2.047) 15.380 6.433 ( 3.470 -12.181 0.551) 12.678 7.012 ( -1.169 -1.351 -0.374) 1.825 7.185 ( 4.954 -6.776 0.399) 8.403 7.240 ( 1.192 2.459 1.140) 2.961 7.400 ( -3.476 5.094 0.009) 6.167 7.601 ( -3.034 5.091 2.522) 6.441 7.640 ( -0.912 12.393 -2.612) 12.698 7.795 ( 0.488 -3.217 3.020) 4.440 7.833 ( 0.728 0.151 -3.766) 3.838 8.135 ( 2.535 4.116 2.584) 5.481 8.224 ( -4.624 5.439 -2.229) 7.479 8.339 ( 2.345 2.506 1.165) 3.625 8.461 ( -0.693 -1.641 -0.943) 2.016 8.564 ( 2.004 1.199 -0.817) 2.474 8.687 ( -4.486 3.553 0.519) 5.746 8.797 ( 0.613 -0.103 2.833) 2.901 8.879 ( -4.296 -1.249 -2.820) 5.288 8.965 ( 4.747 7.745 -1.943) 9.290 9.213 ( 7.381 -7.939 0.146) 10.841 9.481 ( -0.880 -4.899 6.306) 8.034 9.530 ( -1.854 -0.732 -2.788) 3.428 9.612 ( -0.732 -6.541 -1.027) 6.661 9.742 ( 0.550 -8.694 0.388) 8.720 9.994 ( -13.022 13.021 -1.382) 18.467 10.209 ( -10.166 16.832 0.034) 19.664 10.477 ( 1.199 2.774 -1.462) 3.357 10.649 ( -3.715 1.607 1.127) 4.202 10.751 ( 2.367 -1.829 0.543) 3.040 10.926 ( 8.780 -0.917 0.086) 8.828 10.963 ( 2.933 6.902 0.311) 7.506 11.058 ( -2.565 3.447 -0.229) 4.303 11.087 ( 5.463 -10.264 0.740) 11.650 11.229 ( -5.592 5.051 0.365) 7.544 11.396 ( -0.254 -1.163 -0.840) 1.457 11.423 ( -6.559 3.565 0.456) 7.479 11.589 ( -0.019 1.768 -3.564) 3.979 11.646 ( 1.439 -0.574 5.862) 6.063 11.830 ( -3.027 -6.855 -4.480) 8.731 11.970 ( 3.143 -0.216 1.500) 3.490 12.264 ( -0.016 2.943 -1.492) 3.299 12.281 ( 0.531 -1.154 0.898) 1.556 12.505 ( -2.945 7.539 2.851) 8.581 12.581 ( 2.081 7.301 -4.876) 9.023 12.728 ( -10.094 2.538 2.752) 10.766 12.926 ( -4.579 3.803 0.109) 5.953 13.086 ( 2.794 2.950 0.066) 4.064 13.244 ( 4.750 -4.357 -5.601) 8.540 13.339 ( 6.454 -6.188 6.130) 10.841 13.611 ( 2.336 -5.120 -0.985) 5.713 14.255 ( 1.408 5.722 -0.286) 5.900 14.368 ( 4.480 3.034 0.933) 5.491 14.855 ( -2.505 -11.600 -1.095) 11.918 14.948 ( -1.645 -16.521 0.230) 16.605 15.152 ( 6.084 -18.095 0.157) 19.091 15.855 ( -4.586 -1.761 0.108) 4.914 16.930 ( -0.687 4.805 -1.104) 4.978 16.996 ( -0.001 4.086 -1.961) 4.532 17.081 ( -2.179 2.106 3.733) 4.808 17.241 ( 4.187 -4.564 -0.419) 6.207 17.420 ( -2.194 -1.865 -0.064) 2.881 17.664 ( -2.020 -2.441 -0.108) 3.170 18.975 ( 5.851 3.614 -0.391) 6.888 19.385 ( 4.575 7.281 0.279) 8.603 19.493 ( -0.913 -7.172 0.415) 7.242 19.973 ( -0.284 -3.664 -0.582) 3.721 21.294 ( -3.996 19.188 0.953) 19.623 21.524 ( -5.847 26.149 -0.680) 26.803 21.959 ( 5.649 -0.157 -0.069) 5.652 22.301 ( 1.092 3.354 0.080) 3.528 22.474 ( -4.455 -14.653 -0.473) 15.323 22.919 ( 3.193 -14.224 0.583) 14.590 23.076 ( -0.188 -4.766 -0.225) 4.775 23.290 ( -0.336 0.258 0.018) 0.425 ======================= Grid point 37 (15/58) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 12.138 21.024 0.000) 24.277 3.421 ( 3.946 6.835 0.000) 7.893 3.587 ( -2.297 -3.978 0.000) 4.594 3.750 ( -0.901 -1.561 0.000) 1.802 3.803 ( 1.747 3.026 0.000) 3.494 4.104 ( 3.080 5.334 0.000) 6.160 4.328 ( 5.792 10.032 0.000) 11.584 4.496 ( 5.458 9.453 0.000) 10.915 4.727 ( 3.689 6.390 0.000) 7.378 4.989 ( -3.374 -5.844 0.000) 6.748 5.204 ( -2.415 -4.182 0.000) 4.829 5.356 ( -7.070 -12.246 0.000) 14.140 5.542 ( -7.050 -12.211 0.000) 14.100 5.587 ( -5.231 -9.060 0.000) 10.461 5.876 ( -2.090 -3.621 0.000) 4.181 5.991 ( -5.341 -9.252 0.000) 10.683 6.168 ( -8.220 -14.237 0.000) 16.440 6.335 ( -6.388 -11.065 0.000) 12.777 7.016 ( -0.983 -1.702 0.000) 1.965 7.103 ( -1.833 -3.175 0.000) 3.666 7.247 ( 1.620 2.807 0.000) 3.241 7.456 ( 2.310 4.001 0.000) 4.620 7.656 ( 2.042 3.537 0.000) 4.084 7.757 ( 4.419 7.653 0.000) 8.837 7.773 ( -1.168 -2.022 0.000) 2.335 7.788 ( 0.399 0.691 0.000) 0.798 8.099 ( -0.906 -1.570 0.000) 1.813 8.300 ( 2.679 4.640 0.000) 5.358 8.350 ( 3.461 5.995 0.000) 6.922 8.427 ( 2.226 3.855 0.000) 4.451 8.661 ( -2.118 -3.668 0.000) 4.235 8.756 ( 0.428 0.741 0.000) 0.856 8.788 ( 5.241 9.078 0.000) 10.482 8.847 ( -0.949 -1.644 0.000) 1.899 9.027 ( 1.786 3.094 0.000) 3.573 9.035 ( -1.757 -3.044 0.000) 3.515 9.475 ( 0.687 1.190 0.000) 1.374 9.533 ( -4.146 -7.182 0.000) 8.293 9.602 ( -4.414 -7.645 0.000) 8.828 9.663 ( -4.700 -8.140 0.000) 9.399 10.269 ( 1.685 2.919 0.000) 3.371 10.361 ( 1.950 3.378 0.000) 3.901 10.551 ( 0.925 1.603 0.000) 1.850 10.613 ( 5.324 9.221 0.000) 10.648 10.725 ( 0.341 0.591 0.000) 0.683 10.792 ( 0.916 1.586 0.000) 1.831 10.964 ( -3.112 -5.391 0.000) 6.224 10.985 ( 5.571 9.650 0.000) 11.142 11.094 ( 0.552 0.956 0.000) 1.104 11.324 ( -0.068 -0.117 0.000) 0.136 11.412 ( -1.857 -3.216 0.000) 3.713 11.528 ( 2.196 3.804 0.000) 4.393 11.601 ( 0.338 0.585 0.000) 0.676 11.642 ( -0.791 -1.369 0.000) 1.581 11.806 ( -4.614 -7.992 0.000) 9.229 11.911 ( -0.751 -1.301 0.000) 1.502 12.250 ( -0.029 -0.050 0.000) 0.058 12.294 ( 1.492 2.584 0.000) 2.984 12.559 ( 3.793 6.570 0.000) 7.586 12.612 ( 1.833 3.174 0.000) 3.665 12.924 ( -0.576 -0.998 0.000) 1.152 12.931 ( -2.908 -5.037 0.000) 5.816 13.093 ( 4.923 8.526 0.000) 9.845 13.174 ( 1.264 2.189 0.000) 2.527 13.217 ( -1.020 -1.766 0.000) 2.040 13.546 ( -2.412 -4.178 0.000) 4.824 14.272 ( 4.618 7.998 0.000) 9.235 14.336 ( 3.298 5.712 0.000) 6.596 14.870 ( -7.733 -13.394 0.000) 15.467 14.894 ( -9.742 -16.874 0.000) 19.484 14.931 ( -6.078 -10.528 0.000) 12.156 15.882 ( -4.016 -6.956 0.000) 8.032 16.953 ( 3.603 6.240 0.000) 7.205 17.086 ( 0.259 0.448 0.000) 0.518 17.103 ( -0.657 -1.138 0.000) 1.314 17.123 ( 0.516 0.894 0.000) 1.033 17.431 ( -2.650 -4.590 0.000) 5.300 17.671 ( -1.790 -3.100 0.000) 3.580 18.947 ( 5.841 10.117 0.000) 11.682 19.387 ( 6.805 11.786 0.000) 13.610 19.466 ( -3.998 -6.926 0.000) 7.997 19.946 ( -3.225 -5.586 0.000) 6.450 21.463 ( 10.323 17.880 0.000) 20.646 21.738 ( 12.823 22.210 0.000) 25.646 21.882 ( 1.269 2.198 0.000) 2.538 22.297 ( -0.204 -0.353 0.000) 0.408 22.446 ( -8.173 -14.156 0.000) 16.346 22.791 ( -8.339 -14.444 0.000) 16.678 23.052 ( -2.516 -4.358 0.000) 5.032 23.295 ( -0.053 -0.091 0.000) 0.106 ======================= Grid point 38 (16/58) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -2.145 3.715 -0.000) 4.290 3.461 ( -1.435 2.485 0.000) 2.870 3.504 ( -4.133 7.158 0.000) 8.266 3.710 ( 4.961 -8.593 -0.000) 9.923 3.792 ( 1.300 -2.252 -0.000) 2.600 4.122 ( 0.623 -1.080 0.000) 1.247 4.550 ( -7.407 12.829 -0.000) 14.814 4.634 ( -6.310 10.930 0.000) 12.621 4.742 ( 0.467 -0.809 0.000) 0.934 4.921 ( 4.752 -8.232 0.000) 9.505 5.139 ( 1.626 -2.817 0.000) 3.252 5.206 ( 3.649 -6.321 0.000) 7.299 5.411 ( -2.056 3.561 -0.000) 4.111 5.514 ( 3.816 -6.609 -0.000) 7.632 5.832 ( 1.764 -3.055 -0.000) 3.528 5.882 ( 3.154 -5.462 0.000) 6.307 5.993 ( 5.071 -8.783 0.000) 10.142 6.227 ( 3.584 -6.208 -0.000) 7.169 7.003 ( -0.361 0.625 -0.000) 0.722 7.063 ( 2.466 -4.270 0.000) 4.931 7.268 ( -0.293 0.507 -0.000) 0.586 7.499 ( -2.061 3.569 0.000) 4.121 7.692 ( -2.362 4.090 -0.000) 4.723 7.726 ( 0.845 -1.464 0.000) 1.690 7.797 ( 1.977 -3.424 -0.000) 3.954 7.862 ( -4.293 7.435 0.000) 8.585 8.051 ( 4.327 -7.495 -0.000) 8.654 8.367 ( -2.130 3.688 0.000) 4.259 8.470 ( -5.066 8.774 -0.000) 10.131 8.566 ( -4.369 7.567 0.000) 8.737 8.583 ( -0.142 0.245 0.000) 0.283 8.655 ( 0.309 -0.535 -0.000) 0.618 8.825 ( 2.305 -3.993 -0.000) 4.610 8.883 ( 0.169 -0.293 0.000) 0.339 9.054 ( 0.847 -1.467 -0.000) 1.694 9.115 ( -2.126 3.682 0.000) 4.252 9.386 ( 0.785 -1.359 -0.000) 1.570 9.506 ( 2.981 -5.163 -0.000) 5.961 9.520 ( 0.364 -0.630 0.000) 0.728 9.555 ( 4.111 -7.121 0.000) 8.222 10.281 ( -8.001 13.858 0.000) 16.002 10.481 ( -3.154 5.463 -0.000) 6.308 10.489 ( 1.466 -2.540 -0.000) 2.933 10.718 ( 0.475 -0.822 -0.000) 0.950 10.720 ( -4.268 7.392 0.000) 8.536 10.876 ( 4.218 -7.306 0.000) 8.436 10.884 ( 2.504 -4.337 0.000) 5.008 11.105 ( -0.586 1.016 -0.000) 1.173 11.141 ( -4.531 7.848 -0.000) 9.062 11.294 ( -0.004 0.006 0.000) 0.007 11.359 ( 0.633 -1.096 0.000) 1.266 11.565 ( -4.748 8.223 -0.000) 9.495 11.617 ( -0.733 1.270 0.000) 1.467 11.625 ( 0.899 -1.558 -0.000) 1.799 11.696 ( 2.878 -4.984 -0.000) 5.755 11.875 ( 4.095 -7.092 0.000) 8.189 12.273 ( -0.345 0.598 0.000) 0.690 12.301 ( -0.076 0.132 -0.000) 0.153 12.650 ( -2.064 3.575 0.000) 4.128 12.718 ( -2.206 3.821 0.000) 4.413 12.774 ( -3.697 6.404 -0.000) 7.394 12.934 ( 2.188 -3.789 -0.000) 4.376 13.170 ( 1.025 -1.775 -0.000) 2.049 13.184 ( 0.077 -0.134 0.000) 0.155 13.257 ( -2.345 4.061 0.000) 4.689 13.474 ( 4.446 -7.700 0.000) 8.891 14.407 ( -4.676 8.100 -0.000) 9.353 14.440 ( -2.607 4.516 -0.000) 5.215 14.650 ( 6.002 -10.395 0.000) 12.003 14.675 ( 4.445 -7.699 -0.000) 8.890 14.843 ( 5.710 -9.890 0.000) 11.420 15.803 ( 1.260 -2.182 -0.000) 2.519 17.018 ( -1.958 3.391 -0.000) 3.915 17.067 ( -1.214 2.103 0.000) 2.428 17.125 ( -0.809 1.401 -0.000) 1.618 17.145 ( 1.811 -3.138 -0.000) 3.623 17.354 ( 1.956 -3.388 -0.000) 3.912 17.645 ( 0.048 -0.083 0.000) 0.095 19.098 ( -4.204 7.282 -0.000) 8.408 19.329 ( 4.678 -8.102 0.000) 9.356 19.578 ( -5.805 10.055 -0.000) 11.611 19.845 ( 4.636 -8.029 0.000) 9.271 21.685 ( -10.532 18.242 0.000) 21.064 21.947 ( 0.986 -1.707 -0.000) 1.971 22.034 ( -12.837 22.234 -0.000) 25.674 22.143 ( 8.532 -14.778 0.000) 17.065 22.365 ( -0.732 1.267 -0.000) 1.463 22.579 ( 10.339 -17.907 0.000) 20.677 23.007 ( 1.071 -1.854 0.000) 2.141 23.294 ( -0.061 0.106 -0.000) 0.123 ======================= Grid point 133 (17/58) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 0.000 0.000 38.583) 38.583 0.689 ( 0.000 0.000 38.583) 38.583 1.362 ( 0.000 -0.000 75.342) 75.342 2.034 ( 0.000 -0.000 -36.041) 36.041 2.034 ( -0.000 0.000 -36.041) 36.041 3.313 ( 0.000 -0.000 29.915) 29.915 3.313 ( -0.000 -0.000 29.915) 29.915 3.792 ( 0.000 0.000 -54.834) 54.834 4.141 ( 0.000 -0.000 -13.621) 13.621 4.141 ( 0.000 0.000 -13.621) 13.621 6.013 ( 0.000 0.000 9.292) 9.292 6.057 ( 0.000 0.000 1.281) 1.281 6.330 ( 0.000 -0.000 4.316) 4.316 6.385 ( -0.000 -0.000 6.155) 6.155 6.385 ( 0.000 0.000 6.155) 6.155 6.496 ( 0.000 0.000 -0.148) 0.148 6.764 ( 0.000 -0.000 -13.345) 13.345 6.764 ( 0.000 0.000 -13.345) 13.345 7.106 ( 0.000 -0.000 19.744) 19.744 7.225 ( 0.000 -0.000 8.522) 8.522 7.225 ( 0.000 -0.000 8.522) 8.522 7.397 ( 0.000 0.000 1.518) 1.518 7.397 ( 0.000 -0.000 1.518) 1.518 8.024 ( 0.000 0.000 -16.079) 16.079 8.040 ( 0.000 0.000 11.326) 11.326 8.488 ( 0.000 -0.000 2.270) 2.270 8.488 ( 0.000 0.000 2.270) 2.270 8.644 ( 0.000 -0.000 -20.434) 20.434 8.780 ( 0.000 -0.000 -9.934) 9.934 8.780 ( -0.000 0.000 -9.934) 9.934 9.174 ( 0.000 -0.000 5.559) 5.559 9.174 ( 0.000 0.000 5.559) 5.559 9.372 ( 0.000 0.000 -2.800) 2.800 9.372 ( -0.000 0.000 -2.800) 2.800 9.622 ( -0.000 -0.000 4.546) 4.546 9.622 ( 0.000 0.000 4.546) 4.546 9.756 ( 0.000 -0.000 -1.531) 1.531 9.756 ( 0.000 0.000 -1.531) 1.531 9.890 ( 0.000 0.000 17.778) 17.778 10.427 ( 0.000 -0.000 -9.463) 9.463 10.651 ( 0.000 -0.000 0.895) 0.895 10.651 ( 0.000 -0.000 0.895) 0.895 10.660 ( 0.000 0.000 3.023) 3.023 10.666 ( 0.000 0.000 -0.283) 0.283 10.666 ( -0.000 -0.000 -0.283) 0.283 10.777 ( 0.000 -0.000 -3.168) 3.168 10.977 ( -0.000 0.000 1.053) 1.053 10.977 ( 0.000 0.000 1.053) 1.053 11.067 ( 0.000 0.000 -2.422) 2.422 11.067 ( 0.000 0.000 -2.422) 2.422 11.073 ( 0.000 0.000 3.620) 3.620 11.229 ( 0.000 -0.000 -4.272) 4.272 11.835 ( 0.000 -0.000 2.344) 2.344 11.835 ( 0.000 -0.000 2.344) 2.344 11.963 ( 0.000 0.000 5.668) 5.668 11.968 ( 0.000 -0.000 -4.156) 4.156 11.968 ( 0.000 -0.000 -4.156) 4.156 12.166 ( 0.000 -0.000 -3.730) 3.730 12.241 ( 0.000 0.000 4.967) 4.967 12.241 ( 0.000 0.000 4.967) 4.967 12.401 ( 0.000 0.000 -2.724) 2.724 12.401 ( 0.000 0.000 -2.724) 2.724 13.010 ( 0.000 -0.000 5.707) 5.707 13.305 ( 0.000 0.000 -7.615) 7.615 13.831 ( 0.000 0.000 0.249) 0.249 13.831 ( 0.000 -0.000 0.249) 0.249 13.843 ( 0.000 0.000 -0.249) 0.249 13.843 ( -0.000 0.000 -0.249) 0.249 14.753 ( 0.000 0.000 7.419) 7.419 15.042 ( 0.000 -0.000 -5.642) 5.642 16.838 ( 0.000 -0.000 0.164) 0.164 16.838 ( 0.000 0.000 0.164) 0.164 16.845 ( 0.000 0.000 -0.162) 0.162 16.845 ( 0.000 -0.000 -0.162) 0.162 18.201 ( 0.000 0.000 1.817) 1.817 18.201 ( 0.000 0.000 1.817) 1.817 18.286 ( 0.000 0.000 -1.912) 1.912 18.286 ( -0.000 -0.000 -1.912) 1.912 18.377 ( 0.000 0.000 1.897) 1.897 18.460 ( 0.000 -0.000 -1.776) 1.776 19.661 ( 0.000 0.000 1.147) 1.147 19.661 ( 0.000 0.000 1.147) 1.147 19.710 ( 0.000 -0.000 -1.035) 1.035 19.710 ( 0.000 0.000 -1.035) 1.035 20.240 ( 0.000 0.000 0.513) 0.513 20.263 ( 0.000 -0.000 -0.497) 0.497 23.450 ( 0.000 0.000 0.516) 0.516 23.477 ( 0.000 -0.000 -0.686) 0.686 23.568 ( 0.000 0.000 0.457) 0.457 23.584 ( 0.000 -0.000 -0.289) 0.289 ======================= Grid point 134 (18/58) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 24.166 13.952 19.569) 34.082 1.187 ( 18.005 10.395 41.792) 46.678 2.047 ( 54.064 31.214 39.156) 73.692 2.193 ( 19.086 11.019 -28.250) 35.829 2.313 ( 15.533 8.968 -31.852) 36.555 3.194 ( -3.368 -1.945 27.238) 27.514 3.574 ( 14.063 8.119 23.926) 28.916 3.884 ( 7.558 4.364 -47.952) 48.740 4.056 ( -3.440 -1.986 -14.338) 14.878 4.189 ( 0.652 0.376 -8.338) 8.371 5.964 ( -3.952 -2.282 5.666) 7.275 6.011 ( -3.966 -2.290 0.151) 4.582 6.289 ( -3.521 -2.033 4.039) 5.731 6.329 ( -1.825 -1.054 5.048) 5.470 6.438 ( -5.150 -2.974 -2.153) 6.325 6.440 ( 1.235 0.713 8.333) 8.454 6.670 ( -2.819 -1.627 -12.934) 13.337 6.879 ( 4.195 2.422 -11.204) 12.207 7.136 ( 2.750 1.588 18.945) 19.209 7.190 ( -2.500 -1.443 8.527) 9.002 7.243 ( 0.575 0.332 8.564) 8.589 7.393 ( 2.192 1.265 -0.441) 2.569 7.491 ( 5.092 2.940 0.029) 5.880 7.952 ( -5.821 -3.361 10.630) 12.577 8.026 ( 0.350 0.202 -15.209) 15.215 8.229 ( -14.778 -8.532 -0.501) 17.071 8.481 ( -0.603 -0.348 1.499) 1.653 8.704 ( -4.738 -2.736 -12.101) 13.280 8.774 ( 0.928 0.536 -9.402) 9.463 8.789 ( 1.421 0.820 -6.857) 7.050 9.112 ( -2.192 -1.266 1.505) 2.945 9.200 ( -7.350 -4.244 2.571) 8.868 9.283 ( -8.238 -4.756 -1.791) 9.679 9.402 ( -12.980 -7.494 6.543) 16.354 9.409 ( 0.129 0.075 -2.059) 2.064 9.477 ( -10.832 -6.254 -2.057) 12.675 9.545 ( -9.050 -5.225 1.640) 10.577 9.686 ( -4.501 -2.598 0.667) 5.240 9.778 ( -7.564 -4.367 15.583) 17.864 10.248 ( -13.634 -7.872 -2.303) 15.911 10.297 ( -12.690 -7.327 30.015) 33.401 10.449 ( -6.480 -3.742 1.602) 7.653 10.540 ( -7.257 -4.190 -1.727) 8.556 10.583 ( 1.854 1.070 -9.107) 9.356 10.689 ( -2.045 -1.180 3.154) 3.940 10.714 ( -5.665 -3.271 -1.061) 6.627 10.938 ( 0.511 0.295 8.813) 8.833 11.074 ( 9.349 5.398 2.420) 11.063 11.193 ( 8.360 4.827 -8.409) 12.802 11.245 ( 9.570 5.525 -2.573) 11.346 11.297 ( 3.081 1.779 1.894) 4.030 11.392 ( 9.902 5.717 -2.814) 11.775 11.662 ( -1.597 -0.922 -0.259) 1.863 11.700 ( -3.841 -2.217 5.985) 7.449 11.833 ( 2.171 1.254 -1.037) 2.713 11.983 ( -6.978 -4.029 5.389) 9.694 12.041 ( 1.633 0.943 -0.545) 1.963 12.227 ( -2.024 -1.169 3.973) 4.610 12.275 ( -0.801 -0.463 -3.594) 3.711 12.320 ( -3.579 -2.067 -1.770) 4.496 12.520 ( 19.866 11.470 1.755) 23.007 12.561 ( 9.774 5.643 -3.627) 11.854 12.938 ( -9.183 -5.302 10.553) 14.960 13.216 ( -7.973 -4.603 13.316) 16.188 13.287 ( -2.871 -1.658 -8.263) 8.903 13.593 ( -13.319 -7.690 -1.912) 15.498 13.850 ( 2.267 1.309 -0.340) 2.640 13.884 ( 2.927 1.690 0.224) 3.387 15.032 ( 17.244 9.956 7.007) 21.109 15.414 ( 9.021 5.208 -6.518) 12.288 16.796 ( -4.071 -2.350 0.911) 4.788 16.816 ( -1.995 -1.152 0.269) 2.320 16.837 ( -2.147 -1.240 -0.795) 2.604 16.851 ( -0.797 -0.460 0.695) 1.153 17.700 ( -30.436 -17.572 -1.444) 35.174 17.770 ( -17.194 -9.927 -5.936) 20.723 18.240 ( 0.244 0.141 1.738) 1.761 18.285 ( -2.245 -1.296 -0.912) 2.748 18.382 ( -3.151 -1.820 -0.176) 3.643 18.406 ( -1.519 -0.877 2.437) 3.002 19.704 ( 2.774 1.602 0.933) 3.337 19.715 ( 2.781 1.606 0.247) 3.221 19.772 ( 8.157 4.710 -1.379) 9.520 19.863 ( 11.609 6.702 -0.282) 13.408 20.719 ( 28.842 16.652 4.788) 33.646 21.334 ( 34.915 20.158 -35.263) 53.562 23.432 ( -3.512 -2.028 -0.439) 4.079 23.477 ( -0.531 -0.307 -4.896) 4.935 23.542 ( -2.381 -1.375 0.693) 2.835 23.572 ( -0.772 -0.446 -1.383) 1.645 ======================= Grid point 135 (19/58) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 29.754 17.179 4.801) 34.691 1.649 ( 22.139 12.782 31.897) 40.877 2.709 ( 16.960 9.792 -18.304) 26.806 2.753 ( 25.209 14.555 -17.035) 33.727 3.177 ( 3.116 1.799 15.438) 15.852 3.393 ( 56.109 32.395 18.669) 67.426 3.884 ( 10.756 6.210 0.655) 12.438 4.000 ( -0.919 -0.531 -9.728) 9.786 4.131 ( 9.209 5.317 -8.860) 13.841 4.202 ( 4.918 2.839 -9.780) 11.309 5.853 ( -4.658 -2.689 -1.362) 5.549 5.873 ( -7.435 -4.293 -1.923) 8.799 6.166 ( -6.833 -3.945 3.648) 8.693 6.297 ( -5.584 -3.224 -4.851) 8.069 6.319 ( 0.911 0.526 2.632) 2.835 6.416 ( -3.471 -2.004 10.842) 11.559 6.604 ( -3.738 -2.158 -11.004) 11.820 6.926 ( -0.619 -0.357 -4.027) 4.090 7.143 ( -1.078 -0.623 5.341) 5.484 7.205 ( -0.032 -0.019 12.494) 12.494 7.256 ( 3.166 1.828 10.278) 10.909 7.474 ( 3.999 2.309 -2.306) 5.162 7.610 ( 3.734 2.156 -2.126) 4.807 7.822 ( -4.988 -2.880 10.384) 11.874 7.837 ( -16.780 -9.688 -4.270) 19.840 8.069 ( 1.192 0.688 -13.133) 13.205 8.448 ( -2.312 -1.335 1.833) 3.239 8.537 ( -8.769 -5.063 -7.998) 12.903 8.666 ( -7.972 -4.603 0.793) 9.239 8.713 ( -20.333 -11.739 1.119) 23.505 8.777 ( -7.552 -4.360 -7.762) 11.675 9.009 ( -18.317 -10.576 -1.331) 21.193 9.043 ( -7.151 -4.129 2.124) 8.526 9.131 ( -4.071 -2.350 2.290) 5.229 9.279 ( -4.431 -2.558 -7.154) 8.795 9.397 ( 3.050 1.761 7.473) 8.261 9.524 ( -7.866 -4.541 -0.769) 9.115 9.601 ( 3.910 2.258 -3.376) 5.638 9.683 ( -2.024 -1.169 9.157) 9.451 9.950 ( -11.716 -6.764 2.715) 13.798 10.154 ( -4.017 -2.319 15.047) 15.745 10.358 ( -2.965 -1.712 -3.553) 4.934 10.466 ( 2.991 1.727 0.332) 3.470 10.547 ( -5.373 -3.102 -2.929) 6.861 10.672 ( 1.089 0.629 6.011) 6.141 10.677 ( 5.737 3.312 -7.615) 10.093 10.876 ( -5.471 -3.159 7.443) 9.763 11.230 ( -5.508 -3.180 -8.532) 10.642 11.299 ( 6.694 3.865 7.532) 10.792 11.331 ( 0.910 0.525 -0.099) 1.056 11.377 ( 3.470 2.004 1.340) 4.225 11.555 ( 3.685 2.128 -4.064) 5.884 11.616 ( -3.296 -1.903 -3.371) 5.084 11.719 ( -5.912 -3.413 3.961) 7.892 11.852 ( 6.237 3.601 4.821) 8.667 12.011 ( 7.899 4.561 -3.137) 9.646 12.044 ( -0.527 -0.304 0.828) 1.028 12.161 ( -2.910 -1.680 0.636) 3.419 12.236 ( -1.692 -0.977 -0.586) 2.040 12.254 ( -0.204 -0.118 -3.648) 3.655 12.680 ( -1.604 -0.926 4.993) 5.326 12.930 ( 11.794 6.809 -1.367) 13.687 12.933 ( 12.485 7.208 2.775) 14.681 13.116 ( -10.260 -5.924 -6.181) 13.363 13.193 ( 0.732 0.423 3.176) 3.287 13.421 ( -0.814 -0.470 -1.169) 1.499 13.936 ( 4.983 2.877 -0.330) 5.764 13.968 ( 3.943 2.277 0.321) 4.564 15.389 ( 11.059 6.385 1.206) 12.827 15.521 ( 1.583 0.914 1.909) 2.643 16.608 ( -12.871 -7.431 1.439) 14.932 16.633 ( -16.442 -9.493 -3.567) 19.318 16.755 ( -2.691 -1.553 0.162) 3.111 16.808 ( -2.078 -1.200 1.146) 2.659 17.173 ( -11.111 -6.415 3.347) 13.260 17.422 ( -12.122 -6.999 -5.895) 15.188 18.055 ( -12.050 -6.957 3.027) 14.239 18.164 ( -5.959 -3.441 -2.948) 7.486 18.485 ( 7.483 4.320 1.866) 8.839 18.518 ( 10.631 6.138 -3.110) 12.663 19.770 ( 2.073 1.197 2.002) 3.121 19.783 ( 3.722 2.149 -0.102) 4.299 20.037 ( 13.027 7.521 -2.473) 15.244 20.181 ( 14.630 8.446 1.204) 16.936 21.325 ( 21.130 12.199 6.886) 25.352 21.811 ( 11.999 6.928 -13.458) 19.315 23.334 ( -4.577 -2.642 -0.513) 5.309 23.415 ( -3.907 -2.256 -3.110) 5.479 23.449 ( -5.476 -3.162 1.718) 6.552 23.527 ( -3.495 -2.018 -3.073) 5.073 ======================= Grid point 136 (20/58) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 25.111 14.498 21.454) 36.070 2.283 ( 28.316 16.348 -2.483) 32.790 3.030 ( 9.951 5.745 8.240) 14.139 3.280 ( 19.214 11.093 -11.940) 25.195 3.374 ( 13.941 8.049 -10.246) 19.081 4.005 ( 1.118 0.645 -5.836) 5.977 4.060 ( 5.016 2.896 -10.188) 11.719 4.144 ( -1.250 -0.722 0.405) 1.499 4.522 ( 13.296 7.677 13.404) 20.381 4.550 ( 38.330 22.130 7.693) 44.924 5.717 ( -3.675 -2.122 1.239) 4.421 5.766 ( -3.714 -2.144 -7.423) 8.573 5.985 ( -7.817 -4.513 3.070) 9.534 6.157 ( -6.594 -3.807 -9.940) 12.521 6.286 ( -7.353 -4.245 10.293) 13.343 6.399 ( 3.716 2.146 -0.501) 4.321 6.495 ( -2.701 -1.559 -7.854) 8.450 6.811 ( -9.821 -5.670 -1.731) 11.472 7.124 ( -5.888 -3.400 7.334) 10.001 7.138 ( 0.467 0.270 1.898) 1.973 7.346 ( 1.590 0.918 8.620) 8.813 7.438 ( -11.214 -6.474 -3.507) 13.415 7.581 ( 0.175 0.101 0.004) 0.202 7.603 ( -2.389 -1.379 6.363) 6.935 7.741 ( -2.306 -1.332 -7.598) 8.051 8.076 ( -1.320 -0.762 -5.796) 5.993 8.319 ( -9.517 -5.495 -6.352) 12.693 8.321 ( -8.948 -5.166 3.154) 10.803 8.419 ( -3.924 -2.266 0.577) 4.568 8.482 ( -9.257 -5.344 3.195) 11.156 8.576 ( -4.041 -2.333 -4.544) 6.513 8.578 ( -11.711 -6.761 6.408) 14.964 8.983 ( -1.390 -0.802 3.350) 3.714 9.048 ( -4.804 -2.774 -4.356) 7.053 9.229 ( -0.430 -0.248 -9.171) 9.184 9.372 ( -5.871 -3.389 0.986) 6.850 9.437 ( 0.124 0.071 6.573) 6.574 9.609 ( -2.956 -1.707 0.092) 3.414 9.647 ( -0.925 -0.534 -0.102) 1.073 9.711 ( -7.163 -4.136 5.536) 9.953 10.099 ( -0.901 -0.520 3.485) 3.637 10.218 ( -8.550 -4.937 -9.715) 13.852 10.549 ( 4.200 2.425 0.784) 4.912 10.653 ( -1.995 -1.152 8.806) 9.102 10.663 ( 9.579 5.530 2.030) 11.246 10.819 ( 2.623 1.515 1.706) 3.477 10.822 ( 5.636 3.254 -6.197) 8.987 11.009 ( -10.593 -6.116 -1.754) 12.356 11.251 ( -5.669 -3.273 -5.654) 8.650 11.371 ( -3.674 -2.121 1.813) 4.614 11.405 ( -8.067 -4.658 5.354) 10.744 11.492 ( 2.415 1.394 3.620) 4.569 11.565 ( 1.637 0.945 -2.790) 3.370 11.711 ( -0.261 -0.151 1.987) 2.009 11.934 ( 2.719 1.570 2.845) 4.237 12.076 ( -2.069 -1.194 -2.064) 3.157 12.101 ( -1.901 -1.097 1.200) 2.502 12.108 ( 4.162 2.403 -1.869) 5.156 12.283 ( 2.269 1.310 -3.008) 3.990 12.294 ( 5.295 3.057 0.582) 6.142 12.670 ( 1.178 0.680 0.349) 1.404 12.883 ( -8.706 -5.026 -1.722) 10.199 13.056 ( 1.275 0.736 -2.423) 2.835 13.178 ( 1.609 0.929 -3.530) 3.989 13.308 ( 13.512 7.801 8.360) 17.701 13.508 ( 5.986 3.456 -2.352) 7.302 14.056 ( 3.500 2.021 0.093) 4.043 14.073 ( 6.514 3.761 0.040) 7.522 15.477 ( -3.353 -1.936 -3.246) 5.052 15.504 ( -3.037 -1.754 3.030) 4.635 16.216 ( -18.722 -10.809 -1.758) 21.689 16.229 ( -15.874 -9.165 1.989) 18.437 16.730 ( 1.076 0.621 -0.975) 1.579 16.780 ( 0.036 0.021 1.061) 1.062 17.058 ( -1.313 -0.758 -0.317) 1.549 17.234 ( -4.385 -2.532 1.210) 5.206 17.798 ( -9.445 -5.453 4.766) 11.903 17.994 ( -8.306 -4.796 -5.822) 11.220 18.704 ( 10.607 6.124 2.783) 12.560 18.824 ( 14.853 8.576 -3.937) 17.597 19.797 ( -0.103 -0.059 4.656) 4.658 19.862 ( 2.632 1.520 -1.970) 3.622 20.353 ( 13.610 7.858 -3.507) 16.102 20.516 ( 13.458 7.770 1.998) 15.668 21.705 ( 12.106 6.990 5.569) 15.048 22.017 ( 6.436 3.716 -5.733) 9.386 23.192 ( -8.663 -5.002 0.366) 10.010 23.318 ( -4.068 -2.348 -1.294) 4.872 23.325 ( -3.777 -2.181 1.888) 4.752 23.411 ( -6.116 -3.531 -3.746) 7.994 ======================= Grid point 137 (21/58) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 24.697 14.259 14.858) 32.156 2.899 ( 23.889 13.792 -6.684) 28.383 3.237 ( 8.913 5.146 12.428) 16.136 3.644 ( 11.861 6.848 -4.125) 14.304 3.733 ( 14.798 8.543 -12.716) 21.299 3.999 ( -3.107 -1.794 -1.998) 4.107 4.098 ( -2.730 -1.576 -6.818) 7.511 4.164 ( 4.295 2.480 -3.014) 5.803 4.737 ( 5.109 2.950 18.530) 19.446 4.993 ( 2.338 1.350 -6.295) 6.850 5.583 ( -12.733 -7.351 -4.850) 15.482 5.665 ( -7.491 -4.325 11.860) 14.679 5.974 ( 7.754 4.477 2.153) 9.209 5.997 ( -5.603 -3.235 -9.617) 11.591 6.092 ( -6.746 -3.895 0.895) 7.840 6.297 ( -6.402 -3.696 -7.347) 10.422 6.523 ( -12.030 -6.946 0.126) 13.892 6.704 ( 13.261 7.656 3.542) 15.717 6.980 ( -5.785 -3.340 0.712) 6.717 7.168 ( 1.682 0.971 -0.951) 2.163 7.265 ( -5.668 -3.273 -0.671) 6.579 7.295 ( 1.044 0.603 4.110) 4.284 7.526 ( -5.627 -3.249 3.081) 7.191 7.611 ( 1.614 0.932 1.506) 2.396 7.739 ( 3.487 2.013 -9.275) 10.111 7.962 ( -9.966 -5.754 5.700) 12.842 8.140 ( -5.159 -2.979 1.729) 6.203 8.160 ( -0.823 -0.475 2.609) 2.777 8.242 ( -7.751 -4.475 -2.979) 9.433 8.422 ( 2.143 1.237 1.633) 2.964 8.540 ( 3.874 2.237 0.353) 4.488 8.594 ( 3.696 2.134 -3.922) 5.797 8.930 ( -4.923 -2.843 -5.877) 8.176 8.930 ( -3.593 -2.075 4.492) 6.115 9.170 ( -10.391 -5.999 2.697) 12.298 9.243 ( 1.510 0.872 -7.332) 7.537 9.459 ( 2.829 1.633 9.984) 10.505 9.519 ( -3.435 -1.983 1.475) 4.232 9.629 ( -1.230 -0.710 -7.440) 7.575 9.645 ( 0.016 0.009 1.068) 1.068 9.975 ( -12.100 -6.986 -7.916) 16.058 10.062 ( -2.973 -1.716 2.279) 4.120 10.569 ( -2.350 -1.357 5.108) 5.784 10.670 ( 3.459 1.997 5.389) 6.708 10.781 ( -5.234 -3.022 -0.079) 6.044 10.809 ( -2.185 -1.262 -7.130) 7.563 10.912 ( 0.212 0.123 -2.275) 2.289 10.977 ( 9.975 5.759 7.731) 13.872 11.181 ( -6.391 -3.690 1.869) 7.613 11.197 ( 3.890 2.246 -3.960) 5.989 11.340 ( -1.398 -0.807 1.801) 2.418 11.464 ( -2.117 -1.222 -3.193) 4.021 11.607 ( -6.063 -3.501 4.820) 8.500 11.672 ( 3.694 2.133 -3.540) 5.543 11.981 ( -5.395 -3.115 2.303) 6.642 12.061 ( -1.122 -0.648 4.446) 4.631 12.071 ( 6.825 3.940 0.469) 7.895 12.198 ( 3.432 1.981 -2.316) 4.590 12.339 ( 2.543 1.468 -2.200) 3.669 12.366 ( 0.134 0.077 -1.440) 1.448 12.701 ( 0.573 0.331 -1.247) 1.412 12.707 ( -6.227 -3.595 0.944) 7.252 13.105 ( 3.253 1.878 1.045) 3.899 13.209 ( 2.180 1.259 -5.898) 6.413 13.574 ( 7.634 4.407 7.259) 11.419 13.621 ( 3.254 1.879 -3.640) 5.231 14.136 ( 3.447 1.990 0.104) 3.982 14.229 ( 6.410 3.701 -0.269) 7.406 15.330 ( -6.922 -3.996 -2.121) 8.269 15.389 ( -6.078 -3.509 1.865) 7.262 15.825 ( -13.368 -7.718 -2.522) 15.640 15.884 ( -13.564 -7.831 3.036) 15.954 16.784 ( 2.612 1.508 -1.038) 3.190 16.814 ( 2.647 1.528 0.750) 3.147 17.077 ( 2.630 1.519 -2.744) 4.093 17.177 ( -1.223 -0.706 4.324) 4.549 17.615 ( -6.311 -3.644 4.693) 8.668 17.792 ( -8.463 -4.886 -6.444) 11.706 18.959 ( 10.796 6.233 4.144) 13.137 19.175 ( 14.234 8.218 -4.583) 17.063 19.756 ( -3.483 -2.011 6.569) 7.703 19.893 ( -0.084 -0.048 -4.320) 4.321 20.654 ( 11.584 6.688 -3.582) 13.847 20.786 ( 9.045 5.222 1.637) 10.571 21.927 ( 7.460 4.307 3.836) 9.429 22.129 ( 3.347 1.932 -3.499) 5.213 22.950 ( -10.708 -6.182 4.134) 13.038 23.234 ( -3.073 -1.774 -0.033) 3.549 23.259 ( -6.307 -3.641 -4.504) 8.563 23.274 ( -1.086 -0.627 -0.048) 1.255 ======================= Grid point 138 (22/58) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( 10.904 6.296 8.699) 15.304 3.373 ( 15.678 9.052 -6.159) 19.122 3.500 ( 15.309 8.839 11.557) 21.120 3.801 ( -13.127 -7.579 1.045) 15.194 3.816 ( 2.116 1.222 4.512) 5.131 4.013 ( 8.101 4.677 -6.038) 11.134 4.035 ( -2.340 -1.351 -9.663) 10.033 4.223 ( -0.774 -0.447 -5.557) 5.629 4.766 ( -2.412 -1.392 9.274) 9.683 4.994 ( 1.473 0.851 -8.690) 8.855 5.299 ( -6.913 -3.991 0.545) 8.001 5.421 ( -10.874 -6.278 6.338) 14.065 5.893 ( -4.237 -2.446 -0.853) 4.966 5.957 ( 2.664 1.538 -6.892) 7.548 6.171 ( -3.706 -2.140 -1.057) 4.408 6.186 ( 4.421 2.552 -1.824) 5.421 6.329 ( -3.992 -2.305 5.369) 7.076 6.747 ( -9.327 -5.385 -6.227) 12.441 7.006 ( 6.742 3.892 6.887) 10.394 7.166 ( -1.080 -0.624 2.639) 2.919 7.275 ( 6.756 3.901 -5.341) 9.455 7.346 ( -7.201 -4.158 6.211) 10.379 7.476 ( 7.308 4.219 -0.869) 8.483 7.622 ( -0.845 -0.488 -0.185) 0.993 7.745 ( -5.907 -3.410 7.625) 10.230 7.843 ( 3.451 1.992 -4.324) 5.880 8.096 ( -4.783 -2.761 -3.515) 6.546 8.105 ( 1.353 0.781 -2.461) 2.915 8.214 ( 3.234 1.867 7.705) 8.562 8.475 ( 2.726 1.574 -1.978) 3.718 8.673 ( -0.322 -0.186 -0.758) 0.844 8.677 ( 5.973 3.449 -1.376) 7.033 8.766 ( -7.578 -4.375 2.078) 8.994 8.827 ( -2.916 -1.684 -6.870) 7.651 9.010 ( -2.535 -1.464 4.283) 5.188 9.300 ( 3.336 1.926 -5.462) 6.684 9.477 ( -0.708 -0.409 0.695) 1.073 9.552 ( 2.360 1.363 5.780) 6.390 9.591 ( -0.725 -0.419 -8.658) 8.698 9.673 ( 3.414 1.971 1.522) 4.226 9.693 ( -9.730 -5.618 -3.794) 11.858 9.958 ( -5.210 -3.008 3.040) 6.740 10.540 ( -0.300 -0.173 4.543) 4.556 10.568 ( -5.432 -3.136 5.971) 8.660 10.741 ( -1.199 -0.692 -2.562) 2.912 10.853 ( -2.254 -1.301 3.073) 4.027 10.891 ( 5.050 2.916 -1.576) 6.040 11.073 ( -2.012 -1.162 4.174) 4.777 11.162 ( 5.721 3.303 -2.896) 7.213 11.345 ( 4.552 2.628 -5.432) 7.559 11.359 ( 2.174 1.255 0.325) 2.531 11.406 ( -2.817 -1.626 -2.627) 4.181 11.484 ( -4.236 -2.446 3.865) 6.234 11.696 ( -1.369 -0.791 -11.608) 11.715 11.859 ( -2.968 -1.713 11.282) 11.791 12.064 ( 0.856 0.494 8.296) 8.355 12.184 ( 1.442 0.832 -3.497) 3.873 12.272 ( 3.258 1.881 -1.090) 3.917 12.332 ( -1.624 -0.938 -2.072) 2.795 12.401 ( 2.355 1.360 -2.532) 3.716 12.600 ( -2.723 -1.572 2.994) 4.342 12.687 ( -1.150 -0.664 -1.446) 1.964 13.170 ( 1.217 0.703 1.803) 2.286 13.282 ( 3.486 2.013 -6.624) 7.752 13.649 ( -0.919 -0.531 4.978) 5.090 13.676 ( 2.069 1.194 -2.107) 3.185 14.214 ( 2.776 1.603 1.049) 3.373 14.342 ( 2.228 1.286 -2.168) 3.364 15.212 ( -2.402 -1.387 0.864) 2.905 15.268 ( -3.375 -1.948 0.925) 4.005 15.620 ( -3.800 -2.194 -1.607) 4.673 15.636 ( -6.612 -3.818 1.332) 7.751 16.834 ( 1.594 0.921 -0.251) 1.858 16.873 ( 1.537 0.888 -0.843) 1.965 17.150 ( -1.629 -0.941 4.587) 4.958 17.155 ( 3.449 1.991 -1.229) 4.168 17.500 ( -3.511 -2.027 2.682) 4.862 17.637 ( -3.647 -2.106 -5.766) 7.141 19.179 ( 6.870 3.966 5.481) 9.642 19.438 ( 6.668 3.850 -4.605) 8.972 19.650 ( -4.630 -2.673 6.701) 8.573 19.873 ( -0.638 -0.368 -5.928) 5.974 20.868 ( 6.113 3.529 -2.207) 7.395 20.914 ( 1.557 0.899 -0.161) 1.806 22.061 ( 3.513 2.028 1.819) 4.445 22.178 ( 0.846 0.489 -2.926) 3.085 22.752 ( -4.734 -2.733 8.332) 9.965 23.131 ( -3.681 -2.125 -6.718) 7.950 23.192 ( -0.817 -0.472 1.788) 2.021 23.260 ( -0.267 -0.154 -1.076) 1.120 ======================= Grid point 139 (23/58) ======================= q-point: (-0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -12.959 -7.482 -0.251) 14.965 3.418 ( -14.316 -8.265 15.085) 22.379 3.580 ( 1.516 0.875 0.493) 1.818 3.730 ( -9.654 -5.574 2.165) 11.356 3.889 ( 11.729 6.772 4.267) 14.199 3.935 ( -8.365 -4.830 -9.224) 13.356 4.120 ( 1.718 0.992 0.080) 1.985 4.122 ( -4.886 -2.821 -14.617) 15.668 4.700 ( -1.509 -0.871 7.437) 7.638 5.084 ( 5.515 3.184 -9.612) 11.530 5.276 ( -0.406 -0.235 5.199) 5.220 5.382 ( 13.370 7.719 4.532) 16.090 5.857 ( 0.996 0.575 -2.860) 3.082 6.082 ( 5.475 3.161 -7.503) 9.812 6.161 ( 3.748 2.164 2.217) 4.863 6.178 ( -3.614 -2.086 -1.205) 4.343 6.435 ( 11.477 6.626 8.743) 15.877 6.557 ( -5.310 -3.066 -8.063) 10.130 7.083 ( -7.993 -4.615 0.903) 9.274 7.103 ( 1.551 0.896 6.815) 7.046 7.209 ( -1.264 -0.730 -0.640) 1.594 7.437 ( 4.413 2.548 -4.661) 6.905 7.547 ( -1.669 -0.964 0.939) 2.144 7.573 ( -3.317 -1.915 4.154) 5.650 7.713 ( 2.922 1.687 4.461) 5.593 7.917 ( 3.934 2.271 -1.033) 4.659 8.002 ( -2.799 -1.616 -1.024) 3.391 8.095 ( -3.025 -1.746 -2.492) 4.291 8.292 ( 3.359 1.939 6.676) 7.721 8.420 ( -9.206 -5.315 -4.416) 11.511 8.628 ( 5.613 3.240 -1.827) 6.733 8.657 ( -5.203 -3.004 -1.391) 6.167 8.756 ( 0.418 0.241 1.338) 1.422 8.917 ( 7.486 4.322 -3.974) 9.514 9.013 ( 2.716 1.568 1.363) 3.419 9.387 ( 3.540 2.044 -5.042) 6.491 9.429 ( -6.478 -3.740 3.145) 8.115 9.447 ( -0.576 -0.332 2.192) 2.291 9.632 ( 0.200 0.115 -5.080) 5.085 9.661 ( 5.536 3.196 -6.099) 8.835 9.858 ( 10.548 6.090 5.904) 13.536 9.872 ( -1.252 -0.723 -0.014) 1.446 10.506 ( 0.237 0.137 4.615) 4.623 10.551 ( 0.801 0.463 5.306) 5.386 10.739 ( -4.558 -2.631 -1.248) 5.409 10.770 ( 3.156 1.822 0.189) 3.649 10.989 ( 1.532 0.885 1.071) 2.068 11.129 ( 5.379 3.105 7.651) 9.855 11.141 ( -7.831 -4.521 -3.911) 9.852 11.301 ( -4.065 -2.347 -6.170) 7.752 11.400 ( -0.540 -0.312 0.299) 0.691 11.414 ( 0.061 0.035 2.405) 2.406 11.452 ( 2.309 1.333 -7.556) 8.012 11.631 ( -0.324 -0.187 -1.425) 1.474 11.905 ( 4.143 2.392 5.369) 7.191 12.079 ( 0.688 0.398 8.946) 8.982 12.132 ( -4.286 -2.474 -2.931) 5.751 12.318 ( -0.075 -0.043 -4.405) 4.406 12.337 ( 1.023 0.591 -0.715) 1.381 12.425 ( -0.529 -0.305 -2.000) 2.091 12.589 ( 1.973 1.139 3.346) 4.047 12.685 ( 1.258 0.726 -1.456) 2.057 13.145 ( -2.845 -1.643 0.622) 3.344 13.337 ( 0.358 0.207 -7.041) 7.053 13.561 ( -5.712 -3.298 4.156) 7.796 13.723 ( 1.353 0.781 0.282) 1.587 14.238 ( -1.038 -0.599 2.265) 2.562 14.307 ( -4.569 -2.638 -3.350) 6.249 15.247 ( 1.479 0.854 -0.295) 1.733 15.247 ( 5.154 2.976 2.020) 6.285 15.601 ( 3.646 2.105 -0.353) 4.225 15.661 ( 7.137 4.121 0.100) 8.242 16.850 ( -0.338 -0.195 0.446) 0.592 16.860 ( -2.628 -1.517 -1.603) 3.432 17.092 ( -2.746 -1.585 1.905) 3.699 17.222 ( 1.929 1.114 1.820) 2.877 17.461 ( 0.625 0.361 1.138) 1.348 17.652 ( 4.549 2.626 -4.506) 6.921 19.198 ( -5.935 -3.426 6.223) 9.256 19.423 ( -7.298 -4.213 -5.364) 9.989 19.618 ( 2.651 1.531 5.132) 5.976 19.910 ( 3.104 1.792 -4.301) 5.599 20.857 ( -6.160 -3.556 -2.581) 7.567 20.917 ( -2.121 -1.224 0.166) 2.454 22.064 ( -3.045 -1.758 2.162) 4.127 22.170 ( -1.472 -0.850 -3.232) 3.652 22.778 ( 6.561 3.788 9.253) 11.958 23.103 ( 1.415 0.817 -7.031) 7.218 23.203 ( 1.759 1.015 1.276) 2.399 23.257 ( 0.034 0.020 -1.217) 1.218 ======================= Grid point 140 (24/58) ======================= q-point: (-0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -20.203 -11.664 1.895) 23.406 3.045 ( -18.964 -10.949 14.357) 26.185 3.257 ( -24.238 -13.994 11.977) 30.443 3.640 ( -5.475 -3.161 -6.438) 9.023 3.657 ( -7.659 -4.422 -22.330) 24.017 4.012 ( -0.420 -0.242 -2.022) 2.079 4.023 ( -5.860 -3.383 -9.635) 11.774 4.110 ( -2.783 -1.607 6.901) 7.612 4.694 ( 0.434 0.251 11.450) 11.461 5.132 ( -9.566 -5.523 -3.516) 11.592 5.381 ( 11.163 6.445 3.026) 13.240 5.795 ( 17.083 9.863 5.426) 20.459 5.929 ( 4.422 2.553 -2.604) 5.732 6.084 ( -2.937 -1.696 2.041) 3.958 6.167 ( 0.795 0.459 -6.629) 6.692 6.277 ( 5.814 3.357 -8.670) 10.965 6.540 ( 3.970 2.292 1.069) 4.708 6.674 ( 2.111 1.219 5.857) 6.344 6.986 ( 7.495 4.327 -4.196) 9.618 7.100 ( 0.375 0.217 4.672) 4.692 7.232 ( 2.781 1.606 1.323) 3.473 7.424 ( -5.997 -3.462 -7.703) 10.357 7.492 ( -2.189 -1.264 11.162) 11.445 7.502 ( 0.441 0.254 -0.505) 0.717 7.817 ( 3.777 2.181 -5.953) 7.380 7.876 ( -8.674 -5.008 1.869) 10.188 8.052 ( 9.205 5.315 4.447) 11.522 8.156 ( 9.069 5.236 -0.781) 10.501 8.298 ( 0.787 0.454 -3.160) 3.288 8.373 ( 3.487 2.013 3.349) 5.237 8.527 ( -4.910 -2.835 -0.781) 5.724 8.752 ( 0.719 0.415 2.021) 2.185 8.762 ( 4.001 2.310 -2.889) 5.448 9.073 ( 5.334 3.079 -1.733) 6.398 9.116 ( 5.046 2.913 -3.950) 7.039 9.360 ( 1.276 0.737 6.544) 6.708 9.429 ( 1.411 0.814 -5.725) 5.952 9.523 ( 5.851 3.378 8.923) 11.192 9.637 ( -0.255 -0.147 -1.393) 1.424 9.751 ( 0.989 0.571 -3.689) 3.862 9.909 ( 3.811 2.200 -5.690) 7.193 10.124 ( 11.972 6.912 -1.593) 13.916 10.537 ( 0.859 0.496 3.075) 3.231 10.541 ( -2.731 -1.577 5.545) 6.379 10.714 ( 3.626 2.094 -0.160) 4.190 10.783 ( -4.607 -2.660 -0.643) 5.358 10.975 ( -4.562 -2.634 -0.813) 5.330 11.000 ( -0.786 -0.454 1.539) 1.786 11.191 ( -0.904 -0.522 0.174) 1.059 11.236 ( 1.733 1.001 -0.721) 2.128 11.372 ( -0.224 -0.130 3.583) 3.593 11.426 ( -2.207 -1.274 -4.259) 4.963 11.493 ( 5.815 3.357 0.067) 6.715 11.705 ( 2.542 1.468 1.490) 3.292 11.982 ( 3.123 1.803 0.459) 3.635 12.045 ( -2.425 -1.400 -0.057) 2.801 12.124 ( 3.194 1.844 5.963) 7.011 12.274 ( -3.970 -2.292 -2.244) 5.104 12.320 ( -2.446 -1.412 -2.592) 3.834 12.387 ( -2.531 -1.462 -1.302) 3.200 12.675 ( 4.614 2.664 -0.054) 5.328 12.723 ( 1.493 0.862 -0.253) 1.743 13.090 ( -0.660 -0.381 0.584) 0.960 13.250 ( -8.014 -4.627 -8.244) 12.393 13.443 ( -3.719 -2.147 6.287) 7.613 13.696 ( -4.527 -2.614 0.055) 5.227 14.173 ( -4.094 -2.364 1.926) 5.105 14.181 ( -5.398 -3.117 -2.092) 6.575 15.322 ( 4.388 2.533 -1.337) 5.240 15.412 ( 8.098 4.675 1.056) 9.410 15.796 ( 12.596 7.273 -0.976) 14.578 15.921 ( 14.051 8.112 1.510) 16.295 16.781 ( -3.184 -1.838 -0.808) 3.764 16.822 ( -1.748 -1.009 0.517) 2.083 17.054 ( 0.048 0.028 -1.474) 1.475 17.224 ( -1.830 -1.057 3.253) 3.879 17.550 ( 6.910 3.989 2.807) 8.458 17.808 ( 7.987 4.611 -4.713) 10.357 18.975 ( -11.631 -6.715 4.512) 14.168 19.170 ( -13.206 -7.625 -4.995) 16.046 19.706 ( 3.506 2.024 4.026) 5.710 19.953 ( -0.190 -0.110 -1.633) 1.648 20.652 ( -10.755 -6.209 -4.257) 13.128 20.775 ( -9.586 -5.535 2.186) 11.283 21.947 ( -6.763 -3.905 4.725) 9.128 22.110 ( -3.676 -2.123 -4.392) 6.108 22.998 ( 11.028 6.367 6.283) 14.200 23.180 ( 4.565 2.635 -4.980) 7.251 23.264 ( 0.597 0.345 -0.598) 0.912 23.277 ( 4.572 2.640 -1.159) 5.405 ======================= Grid point 141 (25/58) ======================= q-point: (-0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -20.752 -11.981 15.084) 28.315 2.576 ( -19.602 -11.317 -0.037) 22.634 2.618 ( -29.514 -17.040 14.642) 37.092 3.297 ( -15.431 -8.909 -25.584) 31.177 3.708 ( 2.307 1.332 -8.044) 8.473 3.819 ( -9.564 -5.522 -6.306) 12.717 3.890 ( -12.314 -7.110 -2.264) 14.399 3.983 ( -9.020 -5.208 9.699) 14.233 4.585 ( -29.621 -17.102 6.981) 34.908 4.656 ( -6.468 -3.734 5.759) 9.431 5.686 ( 12.504 7.219 -0.064) 14.439 5.920 ( -6.772 -3.910 -8.461) 11.521 6.039 ( 5.629 3.250 1.655) 6.707 6.110 ( 3.849 2.222 3.227) 5.493 6.129 ( 4.070 2.350 -3.292) 5.738 6.549 ( 8.895 5.136 3.420) 10.825 6.630 ( -2.032 -1.173 -10.603) 10.860 6.698 ( 10.226 5.904 0.733) 11.831 7.203 ( 4.007 2.313 10.762) 11.714 7.212 ( 7.468 4.312 8.964) 12.438 7.270 ( -4.676 -2.700 -2.615) 5.999 7.418 ( 10.430 6.022 -6.997) 13.928 7.418 ( -3.363 -1.942 9.360) 10.134 7.592 ( 9.484 5.475 -0.081) 10.951 7.664 ( -8.066 -4.657 -2.421) 9.623 7.939 ( 6.971 4.025 -8.573) 11.760 8.307 ( 5.567 3.214 -4.049) 7.597 8.320 ( 5.538 3.197 0.213) 6.398 8.452 ( 10.460 6.039 -0.383) 12.084 8.492 ( 10.565 6.099 5.190) 13.257 8.548 ( 7.613 4.395 0.228) 8.794 8.802 ( 4.683 2.704 7.581) 9.312 8.854 ( 5.311 3.066 -5.452) 8.206 9.157 ( 1.948 1.125 -3.975) 4.567 9.235 ( 5.952 3.437 -6.510) 9.467 9.448 ( 2.276 1.314 5.957) 6.511 9.473 ( 1.976 1.141 -2.511) 3.392 9.647 ( 3.942 2.276 1.524) 4.800 9.687 ( 7.411 4.279 10.869) 13.833 9.722 ( -2.396 -1.384 -2.397) 3.661 9.969 ( -0.723 -0.418 -1.852) 2.032 10.356 ( 5.077 2.931 -7.731) 9.702 10.438 ( -2.444 -1.411 1.472) 3.183 10.561 ( 1.981 1.144 4.069) 4.668 10.693 ( -1.962 -1.133 5.363) 5.822 10.826 ( -7.781 -4.493 0.069) 8.985 10.857 ( 6.534 3.772 0.532) 7.563 10.952 ( -1.019 -0.588 -1.953) 2.280 11.161 ( -0.384 -0.222 -5.552) 5.569 11.361 ( 1.360 0.785 2.726) 3.146 11.413 ( 4.954 2.860 0.950) 5.799 11.416 ( 4.653 2.686 2.573) 5.957 11.630 ( 4.125 2.381 -1.390) 4.961 11.721 ( 0.172 0.099 3.085) 3.091 12.016 ( -1.079 -0.623 2.959) 3.211 12.035 ( 0.645 0.372 -2.371) 2.485 12.158 ( -5.501 -3.176 -0.902) 6.416 12.195 ( 1.251 0.722 3.206) 3.516 12.220 ( -4.790 -2.766 -0.809) 5.590 12.311 ( -3.523 -2.034 -4.608) 6.147 12.756 ( 1.667 0.962 4.045) 4.480 12.808 ( 7.642 4.412 -5.389) 10.340 13.032 ( -9.001 -5.197 -3.693) 11.030 13.111 ( 0.664 0.383 0.852) 1.146 13.351 ( -4.573 -2.640 5.579) 7.682 13.505 ( -10.725 -6.192 -2.575) 12.650 14.063 ( -5.045 -2.913 0.443) 5.843 14.065 ( -4.585 -2.647 -0.313) 5.303 15.416 ( 2.941 1.698 -0.742) 3.477 15.560 ( 2.536 1.464 0.529) 2.976 16.181 ( 20.236 11.683 -0.174) 23.367 16.268 ( 14.557 8.404 0.418) 16.814 16.742 ( 0.091 0.052 -0.975) 0.981 16.790 ( -0.455 -0.263 1.010) 1.139 17.126 ( 6.824 3.940 -3.497) 8.620 17.159 ( -2.938 -1.696 4.429) 5.579 17.764 ( 11.035 6.371 3.788) 13.293 18.003 ( 8.386 4.842 -4.826) 10.820 18.692 ( -12.090 -6.980 2.044) 14.109 18.845 ( -13.818 -7.978 -3.219) 16.278 19.758 ( 0.925 0.534 2.630) 2.839 19.900 ( -3.985 -2.301 0.095) 4.602 20.376 ( -12.489 -7.210 -4.554) 15.123 20.495 ( -13.794 -7.964 3.004) 16.208 21.734 ( -12.049 -6.956 6.739) 15.459 21.994 ( -6.384 -3.686 -6.900) 10.097 23.248 ( 9.244 5.337 2.454) 10.952 23.293 ( 4.664 2.693 -3.000) 6.164 23.294 ( 2.729 1.576 0.597) 3.208 23.404 ( 5.750 3.320 -2.838) 7.220 ======================= Grid point 142 (26/58) ======================= q-point: (-0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -22.720 -13.118 32.608) 41.852 1.901 ( -31.258 -18.047 19.233) 40.898 2.186 ( -12.971 -7.489 -20.981) 25.779 2.917 ( -17.843 -10.302 -26.471) 33.544 3.087 ( -51.465 -29.713 6.213) 59.750 3.504 ( -11.738 -6.777 9.967) 16.825 3.744 ( -10.296 -5.944 21.349) 24.436 3.866 ( 6.446 3.722 -16.007) 17.653 4.237 ( -3.150 -1.819 2.026) 4.163 4.317 ( -20.017 -11.557 -21.761) 31.745 5.856 ( 2.767 1.597 -2.864) 4.291 5.916 ( 6.894 3.980 -0.659) 7.988 6.191 ( 6.653 3.841 2.624) 8.118 6.207 ( 4.111 2.374 2.434) 5.335 6.266 ( 6.360 3.672 3.087) 7.966 6.598 ( -2.028 -1.171 7.060) 7.438 6.606 ( 0.274 0.158 -13.397) 13.401 6.874 ( 2.123 1.226 -3.857) 4.570 7.181 ( -0.656 -0.379 6.533) 6.577 7.239 ( -4.129 -2.384 17.791) 18.418 7.244 ( 0.238 0.137 9.592) 9.596 7.452 ( -3.638 -2.100 -4.792) 6.373 7.509 ( 0.851 0.492 -4.493) 4.599 7.654 ( 12.508 7.222 3.183) 14.790 7.924 ( 11.016 6.360 -8.983) 15.572 8.077 ( 6.297 3.635 -1.936) 7.524 8.408 ( 6.647 3.838 0.450) 7.688 8.453 ( 5.978 3.451 -2.057) 7.202 8.641 ( 3.210 1.853 0.506) 3.741 8.761 ( 9.690 5.594 -7.047) 13.223 8.849 ( 14.550 8.400 -4.817) 17.477 8.942 ( 8.666 5.003 1.583) 10.131 9.136 ( 16.424 9.482 4.827) 19.569 9.220 ( 6.955 4.016 -3.877) 8.918 9.385 ( 0.906 0.523 -3.615) 3.764 9.409 ( 1.530 0.883 2.414) 2.992 9.497 ( -0.592 -0.342 -2.208) 2.311 9.646 ( -4.613 -2.663 -6.557) 8.448 9.776 ( 0.157 0.090 15.743) 15.744 9.857 ( 11.748 6.782 -2.050) 13.719 10.004 ( 8.384 4.841 18.214) 20.627 10.358 ( -1.241 -0.716 -2.588) 2.958 10.502 ( 5.530 3.193 -4.402) 7.756 10.603 ( 1.912 1.104 -0.968) 2.410 10.634 ( -7.456 -4.304 -3.074) 9.141 10.697 ( 2.425 1.400 13.784) 14.066 10.941 ( 1.808 1.044 -1.926) 2.840 11.018 ( 1.532 0.885 -0.016) 1.770 11.219 ( 6.169 3.562 -4.518) 8.436 11.341 ( -1.419 -0.819 5.636) 5.869 11.450 ( -5.370 -3.100 -0.456) 6.218 11.581 ( 6.504 3.755 -1.752) 7.712 11.602 ( -4.794 -2.768 -3.971) 6.812 11.748 ( 1.460 0.843 3.198) 3.615 11.875 ( -13.142 -7.587 3.716) 15.623 12.035 ( -0.975 -0.563 -3.095) 3.293 12.066 ( 2.019 1.166 2.990) 3.791 12.140 ( -3.618 -2.089 0.564) 4.215 12.229 ( 3.963 2.288 -0.391) 4.593 12.252 ( -0.996 -0.575 -5.562) 5.680 12.816 ( 3.835 2.214 9.356) 10.351 12.862 ( -6.529 -3.769 1.446) 7.676 12.947 ( -16.006 -9.241 -0.990) 18.509 13.071 ( 14.700 8.487 -9.313) 19.361 13.242 ( -3.909 -2.257 5.455) 7.081 13.346 ( -0.843 -0.487 -3.267) 3.409 13.948 ( -4.541 -2.622 -0.681) 5.288 13.963 ( -4.144 -2.392 0.666) 4.831 15.440 ( -0.977 -0.564 -1.337) 1.749 15.463 ( -11.263 -6.503 4.440) 13.742 16.565 ( 10.702 6.179 -0.494) 12.367 16.655 ( 14.913 8.610 -1.124) 17.257 16.777 ( 2.427 1.401 -0.616) 2.869 16.818 ( 2.851 1.646 1.496) 3.615 17.180 ( 9.876 5.702 3.888) 12.048 17.386 ( 14.728 8.503 -6.487) 18.202 18.049 ( 12.854 7.421 2.729) 15.092 18.193 ( 7.784 4.494 -2.922) 9.451 18.429 ( -9.938 -5.738 0.396) 11.482 18.554 ( -10.444 -6.030 -1.385) 12.139 19.754 ( -1.120 -0.647 1.130) 1.718 19.790 ( -4.814 -2.779 0.629) 5.594 20.080 ( -12.479 -7.205 -3.778) 14.896 20.155 ( -14.754 -8.518 2.639) 17.240 21.349 ( -21.573 -12.455 7.891) 26.130 21.793 ( -11.734 -6.774 -14.524) 19.862 23.350 ( 3.431 1.981 0.002) 3.962 23.403 ( 4.269 2.465 -3.989) 6.342 23.443 ( 6.078 3.509 1.747) 7.233 23.520 ( 3.752 2.166 -2.673) 5.091 ======================= Grid point 143 (27/58) ======================= q-point: (-0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -28.750 -16.599 27.501) 43.109 1.260 ( -29.033 -16.762 30.163) 45.096 1.864 ( -44.098 -25.460 40.282) 64.927 1.992 ( -3.907 -2.256 -31.742) 32.061 2.435 ( -22.359 -12.909 -29.790) 39.422 3.295 ( -4.944 -2.855 23.955) 24.626 3.508 ( -9.563 -5.521 27.083) 29.247 3.914 ( -11.145 -6.434 -46.962) 48.694 4.023 ( 5.974 3.449 -16.423) 17.813 4.204 ( -1.454 -0.840 -6.913) 7.114 5.960 ( 4.260 2.459 5.858) 7.649 6.022 ( 2.731 1.577 0.272) 3.165 6.292 ( 2.949 1.703 3.568) 4.933 6.319 ( 3.820 2.205 3.176) 5.435 6.393 ( 3.513 2.028 5.944) 7.196 6.518 ( -3.455 -1.995 3.890) 5.572 6.659 ( 4.133 2.386 -14.018) 14.808 6.851 ( -2.675 -1.545 -10.586) 11.028 7.134 ( -2.445 -1.412 19.927) 20.126 7.223 ( 0.667 0.385 9.008) 9.041 7.234 ( -0.654 -0.378 8.130) 8.165 7.372 ( -1.371 -0.791 -1.858) 2.441 7.487 ( -3.053 -1.763 -0.126) 3.528 7.927 ( 8.936 5.159 9.120) 13.771 8.016 ( 0.832 0.480 -15.824) 15.853 8.285 ( 9.502 5.486 -0.426) 10.981 8.519 ( -0.640 -0.370 2.098) 2.224 8.623 ( 8.954 5.169 0.148) 10.340 8.724 ( 4.302 2.484 -7.581) 9.064 8.809 ( -3.932 -2.270 -17.390) 17.973 9.113 ( 8.559 4.942 -1.841) 10.053 9.173 ( 5.177 2.989 3.330) 6.842 9.310 ( 0.326 0.188 -0.754) 0.842 9.410 ( -3.892 -2.247 -0.633) 4.538 9.498 ( 13.897 8.024 3.088) 16.341 9.523 ( 4.720 2.725 -1.851) 5.756 9.535 ( 13.857 8.000 3.414) 16.361 9.597 ( 2.947 1.701 1.335) 3.655 9.855 ( 4.248 2.452 15.098) 15.875 10.182 ( 16.128 9.312 -6.046) 19.580 10.308 ( 18.515 10.690 29.063) 36.079 10.445 ( 8.432 4.868 1.974) 9.934 10.508 ( 0.334 0.193 -3.093) 3.117 10.601 ( 3.301 1.906 1.823) 4.225 10.660 ( 2.565 1.481 -2.960) 4.188 10.840 ( 6.803 3.928 4.773) 9.191 10.929 ( -6.794 -3.923 -4.330) 8.961 10.977 ( -1.605 -0.926 6.929) 7.173 11.189 ( -12.464 -7.196 -3.346) 14.776 11.241 ( -8.356 -4.824 -4.341) 10.580 11.308 ( -3.881 -2.241 1.905) 4.870 11.400 ( -11.627 -6.713 -3.656) 13.915 11.637 ( 4.583 2.646 2.758) 5.968 11.749 ( 0.403 0.233 3.562) 3.592 11.801 ( 6.750 3.897 -2.098) 8.072 11.930 ( -4.169 -2.407 4.569) 6.637 12.119 ( -0.362 -0.209 3.194) 3.222 12.162 ( 2.895 1.671 0.912) 3.465 12.276 ( 1.935 1.117 -4.172) 4.732 12.329 ( 2.920 1.686 -0.425) 3.399 12.503 ( -17.536 -10.125 0.180) 20.250 12.640 ( -13.357 -7.712 -4.226) 15.992 12.954 ( 6.763 3.904 10.070) 12.743 13.244 ( 8.648 4.993 16.814) 19.556 13.306 ( 0.791 0.457 -8.470) 8.519 13.541 ( 19.050 10.999 -3.239) 22.234 13.864 ( -2.350 -1.357 -0.774) 2.822 13.877 ( -2.980 -1.720 0.637) 3.499 15.071 ( -19.998 -11.546 8.772) 24.701 15.363 ( -6.818 -3.937 -8.193) 11.363 16.772 ( 6.625 3.825 1.559) 7.807 16.807 ( 2.529 1.460 -0.105) 2.922 16.830 ( 1.690 0.975 -0.227) 1.964 16.848 ( -0.317 -0.183 0.177) 0.407 17.725 ( 30.154 17.410 -0.685) 34.826 17.761 ( 17.349 10.016 -6.433) 21.040 18.248 ( -4.558 -2.632 0.079) 5.264 18.305 ( 4.103 2.369 -0.260) 4.745 18.365 ( 6.123 3.535 2.325) 7.443 18.395 ( 0.431 0.249 0.711) 0.868 19.695 ( -3.028 -1.748 0.763) 3.579 19.718 ( -1.764 -1.018 0.142) 2.041 19.818 ( -9.003 -5.198 -2.620) 10.720 19.835 ( -11.566 -6.678 1.190) 13.409 20.729 ( -29.535 -17.052 5.273) 34.509 21.323 ( -34.539 -19.941 -35.880) 53.647 23.434 ( 3.257 1.881 -0.337) 3.776 23.473 ( 0.858 0.496 -4.966) 5.064 23.541 ( 2.448 1.414 0.681) 2.908 23.571 ( 0.920 0.531 -1.259) 1.647 ======================= Grid point 145 (28/58) ======================= q-point: ( 0.09 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 2.651 26.138 30.961) 40.605 1.695 ( 10.056 35.947 18.318) 41.579 2.287 ( 23.332 7.026 -23.806) 34.066 2.759 ( 8.666 23.261 -22.840) 33.732 2.909 ( 41.395 49.406 17.815) 66.872 3.276 ( -6.700 9.466 18.576) 21.898 3.770 ( 11.731 10.562 15.646) 22.225 3.953 ( 0.903 -6.816 -13.981) 15.580 4.125 ( 4.166 18.567 -28.571) 34.328 4.213 ( -0.270 2.175 -3.341) 3.996 5.883 ( -2.490 -4.626 0.242) 5.259 5.937 ( -4.875 -5.261 -0.852) 7.223 6.218 ( -3.865 -4.674 4.263) 7.413 6.265 ( 0.683 -5.714 2.740) 6.373 6.335 ( -1.111 -5.620 1.491) 5.919 6.465 ( -6.614 -0.372 -0.827) 6.675 6.655 ( -0.025 1.548 -5.459) 5.674 6.892 ( 1.865 -0.684 -5.600) 5.942 7.148 ( -3.707 -2.613 9.123) 10.189 7.198 ( 2.853 4.316 19.077) 19.766 7.269 ( 0.901 0.570 4.328) 4.457 7.438 ( 2.360 4.451 -3.877) 6.357 7.553 ( 4.353 1.629 -2.430) 5.245 7.782 ( -1.642 -13.275 7.865) 15.517 8.015 ( -1.005 -1.695 -13.524) 13.667 8.031 ( -10.690 -11.098 -2.445) 15.602 8.442 ( -1.925 -4.204 0.490) 4.649 8.574 ( -0.724 -9.935 -0.531) 9.976 8.684 ( 0.399 -3.705 -3.891) 5.387 8.811 ( -4.169 -4.048 -7.587) 9.556 8.940 ( -11.954 -10.655 0.889) 16.038 8.987 ( -4.663 -18.371 -1.243) 18.994 9.177 ( -9.213 -5.720 -0.449) 10.854 9.272 ( -12.187 -12.956 0.835) 17.806 9.328 ( -5.500 -2.762 2.823) 6.772 9.385 ( -0.183 1.189 -1.257) 1.739 9.464 ( -1.441 -7.515 -2.154) 7.950 9.544 ( -0.340 3.789 -3.037) 4.868 9.813 ( -0.815 -0.529 12.450) 12.487 10.083 ( -2.863 -5.771 -2.301) 6.840 10.127 ( 1.401 -8.553 20.814) 22.546 10.301 ( -1.028 -4.093 3.243) 5.322 10.475 ( -4.864 -4.308 -3.965) 7.612 10.542 ( -0.435 -4.436 -6.753) 8.091 10.653 ( 0.465 4.799 5.542) 7.345 10.843 ( -4.689 6.723 -2.285) 8.510 10.961 ( 9.288 -7.872 1.827) 12.311 10.982 ( -3.980 -0.789 8.529) 9.445 11.173 ( -1.150 0.281 -4.522) 4.675 11.309 ( -0.040 -6.335 -7.778) 10.032 11.364 ( 4.718 3.234 7.463) 9.403 11.615 ( -2.530 4.057 -4.484) 6.555 11.719 ( 1.240 13.385 0.721) 13.461 11.765 ( 12.138 5.084 -1.428) 13.237 11.858 ( 4.568 -5.513 3.435) 7.941 11.916 ( -12.892 -1.131 3.028) 13.291 12.029 ( 4.018 7.394 0.924) 8.466 12.133 ( -2.161 -4.412 -2.889) 5.700 12.242 ( -0.161 0.083 -0.368) 0.410 12.330 ( 1.801 -0.729 -2.216) 2.947 12.726 ( -2.022 0.853 5.188) 5.633 12.813 ( 4.493 13.385 -0.016) 14.119 12.910 ( 5.802 10.010 4.295) 12.341 13.137 ( -3.863 -8.165 -1.652) 9.182 13.244 ( -3.112 -0.967 -2.375) 4.032 13.373 ( 0.726 -8.275 -1.352) 8.416 13.896 ( 2.278 3.436 0.879) 4.216 13.943 ( 1.691 4.184 -1.213) 4.673 15.289 ( 4.365 8.828 6.737) 11.932 15.536 ( 5.584 8.415 -3.849) 10.808 16.632 ( -4.657 -13.103 2.071) 14.059 16.735 ( -5.886 -10.105 -2.682) 11.998 16.789 ( -4.794 -2.286 0.939) 5.394 16.828 ( 1.396 -1.564 -0.862) 2.267 17.236 ( -11.025 -16.910 5.693) 20.974 17.587 ( -5.585 -11.927 -10.397) 16.779 18.147 ( -7.824 -13.243 2.608) 15.601 18.227 ( -6.027 -4.643 -0.003) 7.609 18.332 ( 5.291 1.000 0.557) 5.413 18.417 ( 2.639 7.305 -2.201) 8.073 19.734 ( 2.923 0.669 1.167) 3.217 19.766 ( 0.466 5.565 0.090) 5.585 20.056 ( 5.948 17.573 -0.427) 18.557 20.069 ( 11.812 13.492 -0.489) 17.939 21.187 ( 12.901 24.172 7.388) 28.378 21.717 ( 9.172 14.461 -18.349) 25.098 23.362 ( -2.853 -4.258 -0.038) 5.126 23.435 ( -1.829 -3.767 -3.931) 5.743 23.480 ( -2.648 -4.893 1.306) 5.715 23.543 ( -1.415 -2.891 -2.732) 4.222 ======================= Grid point 146 (29/58) ======================= q-point: ( 0.18 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 18.160 17.802 22.508) 33.960 2.279 ( 13.930 35.466 6.382) 38.635 2.799 ( 23.752 6.328 -11.070) 26.958 3.136 ( 11.180 16.484 -10.409) 22.473 3.321 ( 1.505 10.927 0.607) 11.047 3.918 ( 4.413 -5.873 -4.122) 8.424 3.996 ( 16.630 12.468 -1.554) 20.843 4.074 ( 16.178 13.022 -2.063) 20.870 4.278 ( 11.718 21.229 9.425) 26.016 4.433 ( 7.914 14.543 0.754) 16.574 5.760 ( -6.437 -6.998 -0.955) 9.556 5.814 ( -2.685 -0.357 -6.279) 6.839 6.066 ( -7.162 -5.652 3.815) 9.889 6.213 ( 0.255 -10.243 1.766) 10.397 6.258 ( -4.040 -1.438 -4.534) 6.241 6.350 ( -1.149 -3.255 -0.439) 3.480 6.632 ( -5.532 4.156 -2.342) 7.305 6.884 ( -2.072 -3.195 -1.727) 4.181 7.057 ( -1.387 -6.017 6.494) 8.961 7.242 ( -4.333 0.132 4.325) 6.123 7.311 ( 4.609 2.315 13.715) 14.653 7.454 ( -3.718 -7.070 -2.947) 8.514 7.551 ( -4.497 -10.636 -3.935) 12.200 7.643 ( -0.969 -4.083 4.133) 5.890 7.778 ( -2.479 0.495 -5.376) 5.941 8.030 ( 3.654 -4.617 -10.531) 12.065 8.343 ( -4.571 -5.992 -0.156) 7.538 8.449 ( -6.818 -8.051 2.648) 10.877 8.496 ( -9.439 -7.018 2.840) 12.100 8.570 ( -7.425 -3.451 0.048) 8.188 8.696 ( -8.156 -6.363 1.018) 10.395 8.733 ( -11.739 -8.532 -2.925) 14.803 8.918 ( -3.995 -8.130 0.277) 9.063 9.083 ( -0.109 -11.235 -5.032) 12.311 9.199 ( -8.685 1.907 -0.357) 8.899 9.344 ( -1.415 -5.708 0.969) 5.960 9.461 ( 6.429 -3.265 2.372) 7.591 9.575 ( -0.373 1.661 -3.075) 3.514 9.805 ( -3.263 5.495 8.261) 10.444 9.899 ( -13.268 2.343 -1.390) 13.545 10.135 ( -2.114 0.620 8.732) 9.005 10.297 ( 2.262 -1.367 -0.983) 2.820 10.360 ( 0.371 -5.522 -4.535) 7.155 10.540 ( 6.050 -7.240 -3.109) 9.934 10.723 ( 0.562 10.723 5.825) 12.216 10.824 ( -6.767 -1.275 0.259) 6.891 10.880 ( -0.335 7.019 -0.350) 7.036 11.084 ( -2.083 -7.319 -0.450) 7.623 11.139 ( 11.507 -7.257 1.472) 13.683 11.230 ( 0.064 -6.738 -3.703) 7.689 11.497 ( 0.997 2.193 4.960) 5.514 11.548 ( -0.774 -2.147 -2.030) 3.054 11.660 ( -13.182 1.302 4.154) 13.882 11.812 ( -6.398 9.102 -1.798) 11.270 11.849 ( 5.265 -8.863 1.973) 10.496 11.981 ( 7.782 -1.398 0.120) 7.907 12.060 ( -1.507 -1.119 -1.571) 2.448 12.139 ( 0.094 5.225 -3.438) 6.255 12.287 ( -1.473 9.655 -1.153) 9.835 12.434 ( 2.306 8.845 -1.175) 9.215 12.674 ( 0.203 0.799 3.046) 3.156 12.887 ( -1.254 -8.626 -3.732) 9.482 13.074 ( -1.751 7.680 -1.174) 7.964 13.140 ( 10.583 0.862 6.162) 12.277 13.214 ( -3.181 4.090 -1.557) 5.410 13.395 ( 8.477 -0.703 -1.406) 8.622 13.999 ( 4.976 2.379 1.198) 5.644 14.024 ( 3.077 4.447 -1.244) 5.549 15.403 ( 5.570 -3.702 6.067) 9.030 15.581 ( -7.540 0.250 -7.569) 10.686 16.300 ( -10.603 -21.497 5.576) 24.610 16.417 ( -13.663 -10.263 -3.938) 17.536 16.730 ( -1.243 0.053 0.917) 1.546 16.850 ( -0.069 4.560 -0.123) 4.562 17.059 ( -3.136 -1.634 3.085) 4.693 17.357 ( -9.126 -3.995 -3.514) 10.564 17.871 ( -8.085 -10.682 4.286) 14.065 18.063 ( -6.093 -6.658 -5.015) 10.325 18.497 ( 11.907 0.913 2.558) 12.213 18.626 ( 12.780 5.790 -3.411) 14.439 19.767 ( 0.679 0.331 3.376) 3.459 19.859 ( 3.028 3.781 -1.297) 5.014 20.365 ( 6.305 21.442 -1.896) 22.430 20.430 ( 11.571 15.156 0.987) 19.094 21.582 ( 11.024 11.673 6.681) 17.390 21.953 ( 6.477 6.738 -8.328) 12.518 23.256 ( -4.734 -5.100 -0.129) 6.960 23.327 ( -4.091 -6.766 0.157) 7.908 23.372 ( -3.283 -3.623 0.074) 4.889 23.454 ( -3.981 -5.277 -3.353) 7.412 ======================= Grid point 147 (30/58) ======================= q-point: ( 0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 24.888 12.803 13.493) 31.070 2.864 ( 13.881 29.961 -0.007) 33.021 3.161 ( 9.799 8.223 7.872) 15.020 3.497 ( 14.922 10.508 -2.986) 18.493 3.556 ( 11.233 8.979 -17.388) 22.565 3.917 ( 3.391 -6.907 -0.969) 7.755 4.164 ( 0.267 5.346 -12.127) 13.256 4.180 ( 0.520 4.458 2.710) 5.243 4.656 ( 7.073 4.426 18.519) 20.312 4.917 ( 12.606 11.077 -1.756) 16.873 5.645 ( 0.234 -6.350 5.989) 8.732 5.728 ( -6.834 -2.318 -5.276) 8.939 5.883 ( -5.220 -5.151 -0.698) 7.367 6.052 ( -3.393 -14.796 3.610) 15.603 6.122 ( -7.075 -1.180 -5.100) 8.801 6.352 ( 0.445 -5.538 -3.013) 6.321 6.622 ( -4.155 5.972 -4.469) 8.538 6.719 ( -6.918 -1.772 -0.004) 7.142 6.961 ( -1.728 -8.277 3.832) 9.284 7.145 ( -2.493 -3.971 -0.248) 4.695 7.251 ( -0.349 -6.162 -1.058) 6.262 7.366 ( -4.193 0.309 4.600) 6.232 7.430 ( 5.447 -7.934 4.613) 10.672 7.664 ( -0.932 3.317 3.461) 4.883 7.757 ( -1.614 -0.660 -14.009) 14.117 8.030 ( -2.426 -1.285 2.457) 3.684 8.186 ( -3.651 -5.325 -3.795) 7.489 8.237 ( -4.947 -3.139 7.869) 9.810 8.336 ( -11.252 -4.326 2.159) 12.247 8.441 ( -3.321 -0.271 0.549) 3.377 8.512 ( -1.695 1.192 -0.271) 2.090 8.618 ( -0.830 2.895 -1.181) 3.235 8.855 ( 3.071 -7.476 -0.903) 8.132 8.973 ( 1.497 -13.730 -3.851) 14.338 9.043 ( -8.685 -0.181 -0.427) 8.698 9.307 ( 2.300 -4.081 4.617) 6.578 9.488 ( 3.240 -7.866 -2.220) 8.792 9.612 ( 0.718 4.835 2.200) 5.360 9.701 ( -15.162 8.916 -2.853) 17.819 9.803 ( -5.984 9.577 1.052) 11.342 10.041 ( -5.126 -3.845 2.833) 7.007 10.172 ( -10.857 -1.007 -7.658) 13.324 10.444 ( 6.796 -6.282 2.193) 9.511 10.633 ( 11.169 -1.683 0.029) 11.295 10.730 ( -0.113 -0.608 -0.771) 0.988 10.848 ( -2.214 -4.462 2.295) 5.485 10.936 ( 4.021 7.386 5.733) 10.177 10.999 ( -3.791 7.693 -2.249) 8.866 11.133 ( -2.694 -5.184 -0.341) 5.852 11.245 ( 4.034 -3.792 -0.861) 5.603 11.413 ( -5.025 -1.357 -0.439) 5.223 11.467 ( -6.821 0.239 1.933) 7.094 11.624 ( 2.561 0.454 0.499) 2.648 11.710 ( -6.845 0.755 1.555) 7.060 11.888 ( 5.238 -7.580 0.373) 9.221 12.044 ( 2.455 -2.067 2.138) 3.856 12.070 ( 1.287 4.091 2.209) 4.824 12.196 ( 0.992 5.194 -5.510) 7.636 12.336 ( -2.088 5.937 -3.372) 7.140 12.494 ( -4.388 7.435 1.955) 8.852 12.717 ( -2.034 1.904 -3.453) 4.436 12.813 ( -0.815 2.627 2.629) 3.805 13.062 ( -0.553 -0.093 -2.010) 2.086 13.159 ( 1.392 -3.384 -3.433) 5.018 13.416 ( 12.463 1.750 7.677) 14.742 13.551 ( 6.480 1.373 -3.127) 7.324 14.089 ( 3.570 1.967 0.197) 4.081 14.159 ( 6.294 4.265 0.010) 7.603 15.339 ( -8.996 -11.630 -4.116) 15.269 15.406 ( 0.651 -7.703 3.552) 8.508 15.895 ( -11.482 -19.675 5.144) 23.354 16.073 ( -14.668 -6.678 -4.825) 16.823 16.746 ( 1.890 1.955 -0.300) 2.736 16.888 ( -4.194 8.026 2.372) 9.361 17.064 ( 3.614 2.356 -4.093) 5.947 17.219 ( -3.981 -1.151 2.769) 4.984 17.664 ( -5.490 -7.137 5.271) 10.434 17.875 ( -7.387 -6.633 -6.103) 11.654 18.744 ( 14.511 0.774 3.647) 14.982 18.948 ( 16.699 4.784 -4.321) 17.900 19.756 ( -1.017 -2.404 5.423) 6.018 19.921 ( 0.207 2.404 -3.353) 4.131 20.692 ( 4.706 23.085 -3.300) 23.789 20.759 ( 7.581 15.645 2.148) 17.517 21.826 ( 8.213 4.603 5.229) 10.769 22.098 ( 3.935 4.206 -5.077) 7.678 23.046 ( -9.470 -9.563 2.538) 13.696 23.220 ( -1.224 -6.317 0.371) 6.445 23.292 ( -3.278 -3.566 -1.037) 4.953 23.316 ( -4.081 -4.139 -3.017) 6.549 ======================= Grid point 148 (31/58) ======================= q-point: ( 0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 24.809 9.031 6.444) 27.177 3.286 ( 7.311 10.733 2.226) 13.176 3.437 ( 9.833 17.556 5.535) 20.869 3.761 ( 3.217 0.591 3.553) 4.830 3.850 ( 13.173 4.213 -12.640) 18.736 3.885 ( 0.665 -2.177 -0.541) 2.340 4.133 ( -5.530 3.619 -6.110) 9.001 4.268 ( -0.098 6.152 -1.472) 6.327 4.773 ( 2.218 1.257 12.122) 12.387 4.984 ( -0.736 -1.641 -8.030) 8.229 5.404 ( -12.051 -9.986 -0.197) 15.652 5.549 ( -9.993 -6.217 9.225) 14.953 5.811 ( 2.714 -11.199 -4.360) 12.321 5.835 ( -1.752 -13.986 -2.591) 14.332 6.080 ( 1.732 -2.992 -1.598) 3.808 6.249 ( -2.188 -7.384 -0.508) 7.718 6.407 ( -8.862 -3.095 -2.308) 9.667 6.710 ( 2.075 -12.592 3.414) 13.210 7.007 ( 2.490 8.294 -0.121) 8.660 7.122 ( 6.329 -0.907 -3.764) 7.419 7.255 ( -6.212 1.135 -1.525) 6.497 7.364 ( 7.343 6.000 2.976) 9.938 7.444 ( 0.612 -3.999 2.469) 4.739 7.661 ( -2.328 3.262 6.874) 7.957 7.712 ( -0.097 -4.809 -8.282) 9.578 7.916 ( -7.337 1.526 5.515) 9.305 8.141 ( -2.607 -1.676 -1.830) 3.599 8.166 ( -1.246 2.574 3.683) 4.663 8.212 ( -2.515 7.484 0.697) 7.926 8.448 ( 2.936 0.340 -2.782) 4.059 8.572 ( 4.589 0.657 -1.353) 4.830 8.653 ( 1.965 -1.162 -0.446) 2.326 8.849 ( 0.031 -3.287 -2.187) 3.948 8.859 ( -2.514 -4.147 -2.455) 5.436 8.913 ( -1.613 -4.092 3.959) 5.918 9.341 ( 4.721 -1.772 1.590) 5.287 9.466 ( 1.665 -3.786 -3.701) 5.550 9.561 ( -8.356 5.537 -4.469) 10.976 9.644 ( -1.867 0.700 3.303) 3.858 9.768 ( -9.105 7.885 -1.831) 12.183 9.895 ( -10.208 5.146 -2.101) 11.623 9.975 ( -5.299 -6.492 1.476) 8.509 10.481 ( 3.781 -2.687 4.543) 6.493 10.678 ( -6.703 -1.141 2.679) 7.308 10.773 ( 1.532 0.935 0.525) 1.870 10.829 ( 5.793 1.828 -5.048) 7.898 10.946 ( -5.235 4.739 2.382) 7.452 11.061 ( -0.013 -3.480 2.701) 4.405 11.119 ( 3.553 6.235 1.726) 7.381 11.294 ( 3.059 0.202 1.700) 3.506 11.360 ( -1.680 1.743 1.439) 2.817 11.371 ( -0.175 -3.744 -5.416) 6.586 11.544 ( -5.099 -3.183 1.452) 6.184 11.703 ( -0.385 0.416 -8.817) 8.836 11.855 ( 0.228 -6.464 5.898) 8.754 12.052 ( 1.163 -0.127 5.295) 5.423 12.172 ( 2.759 5.118 0.290) 5.821 12.266 ( 1.470 2.783 -3.877) 4.993 12.358 ( -0.178 4.119 -2.941) 5.064 12.462 ( -5.930 5.882 3.060) 8.895 12.663 ( -3.645 1.177 -0.737) 3.900 12.805 ( -7.229 6.493 -0.790) 9.749 13.105 ( 5.190 -1.454 1.639) 5.634 13.196 ( 5.608 -2.396 -6.134) 8.649 13.576 ( 6.427 -3.332 5.409) 9.037 13.634 ( 3.064 -0.984 -2.156) 3.874 14.175 ( 3.474 2.492 0.397) 4.293 14.304 ( 4.924 3.218 -1.223) 6.008 15.114 ( -0.938 -12.606 0.466) 12.649 15.281 ( -3.532 -11.068 2.445) 11.873 15.564 ( -3.391 -16.501 3.197) 17.147 15.796 ( -10.813 -2.065 -5.359) 12.243 16.822 ( 2.622 3.436 -0.869) 4.409 16.889 ( -1.906 4.355 0.702) 4.805 17.159 ( -1.092 2.810 2.816) 4.126 17.185 ( 2.062 2.956 -1.157) 3.785 17.524 ( -3.642 -4.786 4.212) 7.342 17.691 ( -6.064 -4.613 -5.766) 9.555 18.996 ( 12.989 -0.263 4.867) 13.874 19.261 ( 13.572 1.605 -4.770) 14.475 19.683 ( -2.944 -4.305 6.779) 8.553 19.917 ( -2.102 0.827 -5.918) 6.335 20.971 ( -0.124 22.400 -3.432) 22.661 20.987 ( 0.260 14.397 1.977) 14.534 21.985 ( 6.501 1.468 3.695) 7.621 22.182 ( 1.463 3.094 -4.230) 5.441 22.787 ( -7.011 -10.105 6.149) 13.751 23.118 ( -1.563 -9.256 -4.937) 10.607 23.186 ( -1.479 -3.439 1.528) 4.043 23.271 ( -0.917 -0.159 -1.429) 1.705 ======================= Grid point 149 (32/58) ======================= q-point: ( 0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.328 ( 0.792 1.056 3.608) 3.842 3.452 ( 11.770 1.164 -0.681) 11.847 3.542 ( -11.762 -10.926 8.840) 18.327 3.765 ( 4.618 6.196 3.514) 8.489 3.903 ( -1.898 3.824 0.091) 4.270 4.007 ( 0.528 2.878 -8.080) 8.593 4.119 ( -3.865 3.808 -0.705) 5.472 4.256 ( -6.065 4.625 -6.437) 9.980 4.732 ( -4.162 -1.726 6.160) 7.632 5.020 ( 4.708 1.378 -8.877) 10.142 5.265 ( 4.318 0.660 3.247) 5.443 5.324 ( -6.587 -2.330 4.434) 8.276 5.700 ( 5.161 -14.478 -0.649) 15.384 5.844 ( 11.370 -9.284 -5.822) 15.791 6.081 ( 4.551 -3.330 1.319) 5.792 6.158 ( 0.406 -8.014 -0.490) 8.039 6.377 ( 5.644 2.782 3.464) 7.183 6.589 ( -1.057 -9.789 -5.682) 11.368 7.071 ( 1.607 1.200 6.563) 6.862 7.176 ( -3.948 0.885 -2.195) 4.603 7.254 ( 1.210 -2.730 -0.050) 2.986 7.350 ( -2.745 2.117 -2.081) 4.043 7.522 ( 4.120 -1.193 3.263) 5.389 7.647 ( -3.740 -0.099 -1.195) 3.927 7.682 ( 1.537 1.916 3.435) 4.223 7.895 ( 0.557 4.242 0.077) 4.279 8.072 ( -5.502 2.878 1.451) 6.377 8.206 ( -3.706 6.520 0.784) 7.540 8.248 ( 0.271 2.013 2.831) 3.484 8.490 ( 0.598 -1.238 -7.285) 7.413 8.634 ( 6.175 -6.628 2.552) 9.411 8.661 ( 0.064 -0.120 0.869) 0.880 8.733 ( -2.925 -4.706 -4.323) 7.028 8.812 ( -5.063 5.966 -3.018) 8.387 8.986 ( 6.599 2.274 7.234) 10.052 9.359 ( -1.366 -3.255 -9.262) 9.912 9.484 ( 1.882 -2.905 0.194) 3.467 9.533 ( 3.461 -4.064 -1.939) 5.679 9.575 ( -4.718 6.104 1.492) 7.858 9.703 ( -1.778 4.238 -4.437) 6.388 9.828 ( -5.581 7.301 4.521) 10.242 9.911 ( -0.934 5.680 1.067) 5.854 10.525 ( 1.858 0.454 5.164) 5.507 10.576 ( -4.919 3.336 4.256) 7.310 10.767 ( -1.014 1.181 -0.791) 1.746 10.855 ( -5.254 1.019 -4.743) 7.151 10.980 ( 1.269 4.723 4.011) 6.324 11.085 ( 2.918 3.259 5.900) 7.345 11.167 ( -0.192 -3.117 -1.956) 3.685 11.275 ( -1.721 -6.776 -2.414) 7.396 11.362 ( 4.313 -1.415 1.263) 4.712 11.413 ( 1.662 0.638 -1.713) 2.470 11.457 ( -1.760 1.439 -3.779) 4.410 11.652 ( -3.354 -3.520 -8.998) 10.228 11.850 ( 3.929 0.843 8.581) 9.476 12.062 ( -0.021 -1.626 4.208) 4.511 12.218 ( -2.819 3.663 -0.736) 4.680 12.297 ( 1.282 -0.318 -1.414) 1.935 12.381 ( -4.600 5.224 1.030) 7.036 12.481 ( 1.177 7.391 -2.312) 7.833 12.618 ( -3.758 2.712 3.675) 5.914 12.750 ( -3.761 4.949 -3.674) 7.221 13.142 ( 0.430 -2.791 1.148) 3.048 13.271 ( 4.947 -2.895 -6.353) 8.557 13.568 ( -1.069 -6.969 4.923) 8.599 13.674 ( 3.611 -1.562 -1.164) 4.103 14.239 ( 0.598 1.318 1.612) 2.167 14.350 ( -1.964 -0.720 -3.688) 4.240 15.080 ( 8.470 -7.923 4.816) 12.558 15.142 ( 3.546 -10.541 0.833) 11.153 15.455 ( 6.035 -10.945 2.734) 12.794 15.686 ( -1.974 3.749 -6.331) 7.618 16.864 ( -1.502 2.711 0.599) 3.157 16.922 ( 0.142 3.760 -3.075) 4.859 17.113 ( -4.057 -1.281 6.403) 7.687 17.264 ( 0.790 4.397 -1.430) 4.691 17.445 ( -0.658 -2.420 2.404) 3.474 17.613 ( 0.825 -0.124 -4.932) 5.002 19.140 ( 4.450 -5.603 6.068) 9.382 19.388 ( 2.076 -5.398 -4.983) 7.634 19.609 ( -0.240 -2.272 6.228) 6.634 19.908 ( 0.848 2.038 -6.641) 6.999 21.038 ( -9.169 10.918 0.491) 14.266 21.111 ( -8.223 18.231 -2.150) 20.114 22.059 ( 1.079 -1.766 2.506) 3.251 22.210 ( -1.551 2.119 -4.332) 5.066 22.670 ( 4.524 -5.343 9.364) 11.692 23.034 ( 2.740 -7.305 -7.106) 10.553 23.162 ( 1.731 -2.093 2.828) 3.921 23.263 ( -0.248 0.235 -1.792) 1.824 ======================= Grid point 151 (33/58) ======================= q-point: (-0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -19.624 -12.166 3.978) 23.429 3.220 ( -13.884 -8.573 9.481) 18.872 3.598 ( 0.094 1.812 0.169) 1.822 3.631 ( -17.108 -3.727 2.470) 17.682 3.822 ( -12.372 -4.271 -6.233) 14.497 3.979 ( -2.241 -6.956 -10.433) 12.738 4.080 ( -0.684 7.265 -1.479) 7.446 4.229 ( -5.315 5.567 -1.058) 7.769 4.683 ( -0.364 -0.836 8.626) 8.674 5.116 ( 4.924 -1.544 -8.362) 9.826 5.302 ( 3.912 3.140 6.644) 8.325 5.562 ( 18.576 8.314 5.203) 21.006 5.748 ( 12.196 -5.429 -3.302) 13.752 5.993 ( 13.794 -6.824 -2.917) 15.663 6.087 ( 0.183 -6.675 -2.187) 7.026 6.182 ( 6.548 -0.468 -0.093) 6.565 6.499 ( 1.985 -2.693 -3.934) 5.164 6.644 ( 14.171 7.493 5.746) 17.029 7.016 ( -9.877 -0.528 -1.341) 9.982 7.119 ( -3.226 -0.515 -3.690) 4.928 7.204 ( 0.893 -0.034 2.786) 2.926 7.363 ( 4.772 -5.802 -0.337) 7.519 7.518 ( -7.767 -3.516 -5.426) 10.106 7.540 ( -0.831 -0.140 7.380) 7.428 7.752 ( 1.871 1.496 1.847) 3.025 8.003 ( -4.386 4.684 5.773) 8.631 8.029 ( 9.888 5.723 0.485) 11.435 8.128 ( -9.818 2.381 -2.982) 10.533 8.267 ( 1.035 1.210 2.678) 3.116 8.458 ( -4.545 4.386 -5.188) 8.174 8.557 ( -3.905 -5.479 0.323) 6.736 8.709 ( 7.970 -5.363 3.801) 10.331 8.759 ( -0.614 3.415 -4.333) 5.551 8.794 ( 4.153 -1.062 -3.428) 5.489 9.123 ( 6.233 0.909 6.245) 8.869 9.311 ( 2.025 -5.798 -1.000) 6.222 9.439 ( -0.635 0.899 -6.129) 6.227 9.541 ( 3.262 -6.321 -0.670) 7.145 9.673 ( -1.457 17.149 -0.025) 17.210 9.794 ( 2.698 6.804 -3.077) 7.940 9.839 ( 0.595 2.401 2.392) 3.441 10.034 ( 5.744 8.992 -0.875) 10.706 10.501 ( -1.635 -1.511 4.993) 5.467 10.627 ( 1.803 6.418 3.211) 7.400 10.757 ( -5.402 2.391 -3.185) 6.712 10.772 ( -0.287 -3.464 0.165) 3.480 10.995 ( -5.110 -8.991 0.562) 10.357 11.033 ( 0.079 2.865 2.284) 3.664 11.139 ( -2.242 -2.681 0.290) 3.507 11.277 ( 4.086 4.425 1.981) 6.341 11.350 ( -0.558 -1.914 0.986) 2.224 11.451 ( 2.082 0.900 -2.425) 3.321 11.512 ( -3.392 3.595 -3.263) 5.923 11.618 ( 6.150 -0.120 -1.192) 6.265 11.927 ( 2.482 -1.200 1.509) 3.143 12.022 ( -0.098 -3.524 3.062) 4.669 12.183 ( -5.328 4.808 2.646) 7.649 12.304 ( 0.207 -1.259 -3.757) 3.967 12.358 ( -1.654 2.337 -2.370) 3.717 12.496 ( -5.385 5.136 2.603) 7.884 12.672 ( 1.369 7.547 -0.332) 7.677 12.763 ( -1.341 5.192 -1.393) 5.540 13.091 ( -1.139 -2.688 0.509) 2.964 13.267 ( -1.195 -6.986 -8.017) 10.701 13.451 ( -2.339 -6.651 6.241) 9.416 13.696 ( 0.519 -3.683 0.032) 3.720 14.202 ( -3.508 -2.907 1.193) 4.709 14.257 ( -5.404 -1.743 -1.944) 6.001 15.155 ( 10.171 -7.005 -0.372) 12.356 15.281 ( 13.207 1.678 3.492) 13.763 15.528 ( 13.210 -8.204 2.166) 15.700 15.816 ( 9.381 8.182 -4.618) 13.277 16.838 ( -4.028 2.520 -0.892) 4.834 16.935 ( -4.939 4.768 -0.142) 6.866 17.026 ( -0.791 -2.892 2.134) 3.680 17.281 ( -1.871 0.475 0.355) 1.963 17.474 ( 4.209 2.069 2.993) 5.564 17.706 ( 7.238 2.419 -4.484) 8.852 19.019 ( -6.205 -11.463 5.646) 14.205 19.244 ( -7.925 -10.756 -5.575) 14.477 19.646 ( 4.197 0.789 5.066) 6.625 19.966 ( 1.671 1.918 -4.154) 4.871 20.901 ( -16.115 7.157 -1.306) 17.681 21.041 ( -16.224 10.931 -0.186) 19.564 21.994 ( -3.783 -4.565 4.176) 7.252 22.171 ( -3.957 0.306 -4.701) 6.153 22.823 ( 13.223 0.804 7.590) 15.267 23.074 ( 7.166 -3.150 -5.850) 9.772 23.204 ( 4.611 -0.601 1.208) 4.804 23.266 ( 0.217 0.693 -1.657) 1.809 ======================= Grid point 152 (34/58) ======================= q-point: (-0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -20.980 -15.897 17.169) 31.427 2.847 ( -20.419 -3.011 -3.232) 20.891 3.106 ( -32.202 -4.548 10.024) 34.031 3.508 ( -16.267 -5.109 -19.771) 26.108 3.665 ( 2.739 1.561 -5.330) 6.193 3.823 ( -5.295 -11.504 -3.833) 13.232 4.070 ( -6.827 3.886 -3.674) 8.673 4.150 ( -8.462 2.988 3.539) 9.647 4.675 ( -0.250 -2.172 12.002) 12.200 4.954 ( -21.884 -9.144 0.388) 23.721 5.512 ( 13.127 5.330 1.807) 14.282 5.846 ( 9.499 -3.272 -3.025) 10.492 5.970 ( 7.632 2.833 2.679) 8.570 6.038 ( 3.724 -2.115 2.666) 5.045 6.193 ( -4.605 0.514 -7.068) 8.451 6.271 ( 19.384 -0.908 -2.251) 19.535 6.581 ( 8.008 3.563 -1.513) 8.894 6.788 ( -10.104 4.812 -2.682) 11.508 7.013 ( 10.104 -0.574 5.948) 11.739 7.141 ( 12.897 1.262 -2.713) 13.240 7.262 ( 4.051 -1.405 0.513) 4.318 7.318 ( -1.317 -4.175 1.999) 4.812 7.441 ( -0.934 -0.468 1.113) 1.526 7.534 ( 0.567 3.694 6.959) 7.899 7.782 ( 6.017 -3.295 -8.037) 10.567 7.899 ( -13.359 4.100 -3.952) 14.523 8.154 ( 11.046 3.501 4.301) 12.360 8.294 ( 4.333 4.702 -0.986) 6.470 8.342 ( 11.151 5.128 4.198) 12.972 8.458 ( -2.774 1.458 0.933) 3.270 8.478 ( 3.058 2.220 -1.010) 3.911 8.750 ( 3.060 -0.682 5.900) 6.681 8.799 ( 2.435 -0.011 -6.133) 6.599 8.919 ( 11.949 -5.640 -4.858) 14.078 9.208 ( 3.003 1.295 -1.316) 3.526 9.323 ( 4.163 -3.830 7.671) 9.531 9.479 ( 5.290 -8.176 -2.554) 10.068 9.546 ( 2.521 2.128 0.059) 3.300 9.808 ( -4.546 16.910 -2.691) 17.716 9.868 ( -2.938 8.075 1.371) 8.701 9.914 ( 4.489 4.855 0.604) 6.640 10.228 ( 6.752 1.092 -5.928) 9.051 10.453 ( -1.727 -3.069 2.979) 4.612 10.612 ( 0.217 -7.108 -0.514) 7.130 10.697 ( -1.979 -0.841 -0.876) 2.322 10.779 ( -0.274 4.533 3.895) 5.983 10.881 ( -0.919 -0.650 1.506) 1.880 11.027 ( -2.488 2.055 0.886) 3.346 11.108 ( 1.503 -5.644 0.591) 5.870 11.325 ( -1.953 -1.917 -1.820) 3.286 11.364 ( 0.936 7.037 -0.421) 7.111 11.488 ( -1.009 3.517 1.386) 3.913 11.549 ( 7.210 1.432 1.011) 7.420 11.715 ( 1.360 3.665 1.627) 4.235 11.919 ( 4.229 -9.283 0.222) 10.203 12.007 ( 0.416 -1.537 0.978) 1.869 12.144 ( -2.320 0.973 2.005) 3.217 12.280 ( -4.286 3.830 -2.533) 6.281 12.356 ( -1.648 -0.041 -5.995) 6.218 12.464 ( -7.635 9.993 3.496) 13.053 12.682 ( 0.183 -3.188 -2.985) 4.371 12.832 ( -0.435 8.374 2.073) 8.637 13.072 ( -3.229 -5.080 -3.362) 6.895 13.135 ( 0.010 -0.575 -2.587) 2.650 13.365 ( -2.012 -5.369 6.383) 8.580 13.585 ( -6.677 -7.691 -1.504) 10.295 14.094 ( -4.360 -3.609 0.241) 5.665 14.147 ( -5.282 -1.455 -0.033) 5.479 15.272 ( 8.153 -3.652 -1.217) 9.016 15.548 ( 10.154 5.783 -0.147) 11.686 15.771 ( 23.034 -4.537 3.856) 23.791 16.126 ( 14.471 8.448 -2.714) 16.975 16.794 ( -4.148 3.742 -1.827) 5.877 16.852 ( -4.940 -0.190 3.684) 6.166 17.075 ( 4.334 5.573 -4.174) 8.201 17.221 ( -3.712 -1.829 3.009) 5.116 17.622 ( 9.429 3.069 4.339) 10.824 17.882 ( 9.289 2.538 -5.105) 10.899 18.756 ( -8.879 -12.268 3.866) 15.630 18.947 ( -11.453 -12.100 -4.583) 17.280 19.719 ( 2.533 0.693 3.874) 4.680 19.971 ( -2.390 -0.114 -1.708) 2.940 20.647 ( -18.931 4.798 -2.123) 19.645 20.788 ( -20.342 4.055 0.883) 20.761 21.847 ( -7.643 -5.214 6.060) 11.060 22.082 ( -5.925 -0.810 -5.903) 8.403 23.084 ( 13.592 2.195 4.288) 14.420 23.185 ( 6.923 -0.990 -2.035) 7.284 23.290 ( 1.635 1.509 -1.164) 2.511 23.312 ( 7.038 1.042 -2.236) 7.458 ======================= Grid point 153 (35/58) ======================= q-point: (-0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -21.904 -17.058 28.177) 39.556 2.416 ( -33.732 -5.288 6.340) 34.728 2.522 ( -23.510 5.192 -9.587) 25.915 3.162 ( -18.078 -4.009 -22.895) 29.446 3.528 ( -7.918 -14.209 6.799) 17.630 3.770 ( -11.825 3.368 -2.404) 12.528 3.858 ( -17.935 3.419 -10.743) 21.184 3.990 ( -14.252 3.204 8.502) 16.902 4.354 ( -20.422 -6.398 8.459) 23.011 4.530 ( -13.510 -7.407 -2.574) 15.621 5.777 ( 11.648 1.424 -0.344) 11.740 5.848 ( -1.656 -1.942 -7.951) 8.351 6.099 ( 7.533 1.555 5.189) 9.278 6.128 ( 6.175 1.120 -0.246) 6.281 6.215 ( 3.647 4.675 -0.193) 5.932 6.447 ( 6.602 -7.284 -5.402) 11.217 6.704 ( -3.042 0.579 -0.005) 3.097 6.821 ( 6.894 5.572 -1.514) 8.993 7.092 ( 5.859 -5.411 8.716) 11.815 7.234 ( -0.082 1.422 1.523) 2.086 7.328 ( -5.426 -2.247 15.026) 16.133 7.445 ( 14.926 3.241 2.019) 15.407 7.489 ( 4.489 5.869 -3.494) 8.174 7.587 ( -0.730 -0.950 -5.178) 5.315 7.800 ( 3.392 6.863 1.440) 7.790 7.928 ( 9.104 -0.983 -13.362) 16.198 8.348 ( 3.452 0.682 0.287) 3.530 8.403 ( 6.822 4.781 -0.667) 8.357 8.542 ( 13.765 1.708 5.162) 14.800 8.604 ( 9.177 2.355 1.515) 9.594 8.648 ( 12.569 4.884 -1.802) 13.605 8.822 ( 4.141 -1.945 -2.426) 5.178 8.927 ( 15.155 2.708 2.286) 15.564 9.066 ( 9.817 -4.039 -6.653) 12.528 9.290 ( 3.972 2.715 -3.314) 5.842 9.363 ( 4.004 -1.633 5.592) 7.070 9.417 ( 0.807 -9.984 -0.334) 10.022 9.648 ( 3.451 -3.691 -0.640) 5.093 9.785 ( -5.163 4.942 -0.532) 7.167 9.974 ( 0.773 12.164 10.783) 16.274 10.014 ( -2.141 9.463 1.936) 9.894 10.242 ( 3.886 -4.950 -0.668) 6.328 10.436 ( 1.476 -1.743 -1.287) 2.621 10.541 ( 2.423 -12.774 -5.518) 14.125 10.750 ( -2.848 2.882 7.470) 8.498 10.762 ( -2.330 12.798 -0.384) 13.014 10.946 ( 4.254 1.586 3.289) 5.606 10.992 ( -2.293 -2.195 -4.950) 5.880 11.099 ( 5.493 -3.343 1.711) 6.654 11.266 ( 1.680 -7.109 -2.595) 7.752 11.410 ( -2.658 2.789 1.793) 4.250 11.554 ( 3.416 5.249 0.282) 6.269 11.694 ( 5.593 2.035 3.720) 7.018 11.789 ( 0.339 9.222 -1.415) 9.336 11.900 ( 5.473 -10.435 2.043) 11.959 11.984 ( -2.555 -4.259 1.089) 5.084 12.096 ( -2.631 -2.060 -2.955) 4.460 12.230 ( -8.563 -3.049 -1.528) 9.217 12.247 ( -5.480 7.180 -2.393) 9.344 12.400 ( -9.913 6.184 -1.494) 11.779 12.696 ( 5.288 -5.561 3.487) 8.429 12.909 ( 4.865 -0.825 -6.331) 8.027 12.964 ( -3.360 5.994 3.372) 7.654 13.184 ( -8.378 2.617 2.767) 9.202 13.263 ( 0.601 -2.805 1.075) 3.063 13.352 ( -6.827 -7.692 -2.738) 10.643 13.984 ( -4.543 -2.271 0.503) 5.104 14.041 ( -5.167 -1.363 -0.551) 5.372 15.344 ( 2.914 -2.238 3.300) 4.938 15.665 ( -2.156 1.758 -5.181) 5.880 16.230 ( 27.910 1.902 4.066) 28.269 16.446 ( 14.455 4.200 -1.981) 15.183 16.771 ( -0.303 -0.527 1.723) 1.827 16.804 ( -1.368 2.459 -0.954) 2.971 17.140 ( -1.622 -2.504 5.960) 6.665 17.294 ( 10.361 11.082 -6.453) 16.487 17.860 ( 14.023 2.835 3.952) 14.843 18.069 ( 9.442 1.536 -4.671) 10.646 18.489 ( -8.301 -9.131 2.202) 12.535 18.637 ( -10.566 -9.201 -3.044) 14.338 19.743 ( -0.467 0.856 2.456) 2.643 19.888 ( -5.231 -2.187 -0.325) 5.679 20.352 ( -19.288 3.850 -1.694) 19.742 20.437 ( -20.832 -0.922 0.732) 20.866 21.598 ( -15.525 -5.069 7.335) 17.903 21.942 ( -9.167 -1.227 -8.989) 12.897 23.274 ( 5.712 -0.667 -0.107) 5.752 23.321 ( 9.175 1.266 0.579) 9.280 23.361 ( 4.558 2.106 -0.677) 5.067 23.449 ( 6.459 1.213 -3.037) 7.240 ======================= Grid point 158 (36/58) ======================= q-point: ( 0.18 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 8.088 23.859 20.196) 32.289 2.916 ( 14.468 17.751 -6.587) 23.829 3.027 ( 15.236 24.486 1.932) 28.904 3.453 ( 7.826 15.285 -7.495) 18.736 3.564 ( -1.647 11.921 -6.417) 13.638 3.786 ( 3.450 -5.697 -4.103) 7.823 4.153 ( 6.683 4.706 -1.116) 8.250 4.194 ( 3.997 5.393 -2.486) 7.159 4.628 ( 1.052 4.553 13.794) 14.564 4.848 ( 12.121 21.786 1.488) 24.975 5.584 ( -3.016 -10.005 2.989) 10.869 5.801 ( -4.781 -4.481 -5.804) 8.754 5.955 ( -6.534 -5.065 3.431) 8.951 6.004 ( -5.092 -7.490 -0.890) 9.100 6.216 ( -7.609 -5.776 -3.215) 10.080 6.252 ( 1.666 -6.463 -2.349) 7.075 6.678 ( -1.307 -9.650 1.823) 9.907 6.799 ( -1.592 3.718 -5.387) 6.736 6.975 ( -4.784 -1.694 3.575) 6.208 7.133 ( -4.418 -8.684 -3.315) 10.292 7.240 ( -4.384 -7.563 2.061) 8.981 7.296 ( -1.494 -5.985 2.016) 6.490 7.418 ( -0.319 2.477 7.502) 7.907 7.651 ( 6.417 1.570 3.495) 7.473 7.737 ( -4.211 -7.148 -14.363) 16.587 8.002 ( 8.896 5.521 -3.323) 10.985 8.185 ( -6.189 -10.207 4.677) 12.821 8.300 ( -4.223 -2.144 4.087) 6.255 8.411 ( -2.625 -4.597 4.151) 6.727 8.478 ( -2.576 -6.438 2.264) 7.295 8.541 ( -0.438 -3.399 -0.587) 3.477 8.714 ( -7.294 -0.087 -3.249) 7.986 8.769 ( -0.592 -4.321 -0.850) 4.443 8.880 ( -2.853 -6.413 -5.326) 8.811 9.226 ( -9.482 -2.896 0.239) 9.918 9.269 ( -4.052 -3.752 9.334) 10.845 9.319 ( 3.477 -2.859 -4.737) 6.534 9.595 ( 1.063 -2.072 -2.416) 3.356 9.866 ( 1.024 -0.194 1.714) 2.006 9.997 ( -5.538 0.193 -0.521) 5.566 10.149 ( 2.439 5.083 0.297) 5.646 10.300 ( 9.361 1.601 -0.008) 9.497 10.371 ( -7.410 2.759 -1.126) 7.987 10.377 ( -0.340 -5.278 -2.578) 5.884 10.712 ( -1.405 -4.262 0.806) 4.560 10.838 ( -1.401 -5.192 -3.290) 6.304 10.965 ( 2.322 7.937 2.488) 8.636 11.001 ( 3.632 -3.453 8.351) 9.739 11.093 ( 3.309 -1.757 2.654) 4.592 11.232 ( -2.717 8.435 -6.768) 11.151 11.475 ( -5.548 -3.448 1.470) 6.696 11.503 ( 5.110 -2.217 0.773) 5.624 11.657 ( 3.256 -8.124 2.351) 9.063 11.715 ( -7.332 3.189 0.580) 8.016 11.855 ( 2.253 -3.612 2.422) 4.898 11.956 ( -0.959 0.685 0.239) 1.202 12.108 ( -0.548 4.590 -1.100) 4.752 12.269 ( -2.954 5.237 -8.220) 10.185 12.433 ( 5.004 1.017 2.769) 5.809 12.554 ( -4.689 3.462 -2.355) 6.287 12.692 ( 13.271 2.118 1.458) 13.518 12.853 ( -4.987 6.229 -5.544) 9.716 13.075 ( 4.611 -3.834 2.351) 6.442 13.164 ( -5.145 -3.895 -1.323) 6.587 13.271 ( 2.773 4.731 7.088) 8.961 13.472 ( 3.753 6.787 -3.140) 8.367 14.061 ( 2.838 3.933 1.466) 5.066 14.122 ( 2.427 4.912 -1.195) 5.608 15.275 ( 0.293 -8.445 2.782) 8.896 15.472 ( -15.794 -9.715 -7.844) 20.134 15.829 ( -6.356 -23.475 11.603) 26.946 16.200 ( -8.894 -12.046 -7.109) 16.576 16.778 ( -1.234 4.877 3.480) 6.117 16.932 ( 8.956 2.423 -4.185) 10.178 17.105 ( -6.945 4.714 3.288) 9.014 17.218 ( 0.500 -8.168 -2.281) 8.495 17.666 ( -3.798 -8.626 5.335) 10.830 17.908 ( -4.840 -8.254 -5.512) 11.043 18.601 ( 4.683 9.158 4.217) 11.117 18.804 ( 6.932 11.845 -4.729) 14.516 19.744 ( -0.153 -2.699 5.201) 5.862 19.942 ( 0.041 3.350 -3.421) 4.788 20.751 ( 13.114 16.592 1.169) 21.182 20.822 ( 9.863 22.072 -1.800) 24.243 21.776 ( 3.558 7.636 6.445) 10.607 22.078 ( 3.724 5.469 -6.758) 9.457 23.092 ( -7.983 -11.557 2.485) 14.264 23.182 ( -2.870 -7.124 0.250) 7.685 23.304 ( -2.409 -3.964 -0.689) 4.690 23.326 ( -2.957 -5.706 -3.114) 7.141 ======================= Grid point 159 (37/58) ======================= q-point: ( 0.27 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 15.817 18.702 11.347) 26.994 3.254 ( 9.217 8.427 -2.936) 12.829 3.482 ( 7.632 19.981 2.098) 21.491 3.677 ( 6.318 6.511 -3.546) 9.741 3.735 ( 4.904 3.711 0.052) 6.150 3.827 ( 6.458 5.199 -6.559) 10.572 4.243 ( -1.401 3.371 -1.822) 4.080 4.308 ( 3.213 6.925 -2.710) 8.101 4.713 ( 5.361 2.273 12.509) 13.798 4.992 ( -2.210 -1.760 -6.777) 7.342 5.454 ( -4.708 -11.237 6.549) 13.832 5.618 ( -5.951 -9.439 0.344) 11.164 5.731 ( -8.668 -11.590 1.353) 14.536 5.814 ( -8.541 -6.250 -4.804) 11.622 6.021 ( -0.656 -9.763 2.022) 9.992 6.168 ( -2.296 -11.476 -2.556) 11.979 6.503 ( -6.677 -16.892 1.145) 18.200 6.559 ( -7.659 -11.442 -3.740) 14.268 7.057 ( 4.755 7.710 -1.199) 9.138 7.067 ( -2.831 2.812 0.560) 4.029 7.256 ( 7.442 1.281 -1.781) 7.759 7.305 ( 4.101 -0.951 3.227) 5.304 7.418 ( -2.482 4.995 -2.795) 6.239 7.632 ( 1.422 -8.034 -14.014) 16.216 7.777 ( 0.574 7.296 12.230) 14.253 8.022 ( -3.884 0.332 9.630) 10.389 8.143 ( 0.590 1.057 0.778) 1.439 8.235 ( -3.830 -0.787 1.565) 4.212 8.349 ( 0.921 6.473 -1.121) 6.634 8.406 ( -0.212 -3.021 3.632) 4.729 8.537 ( 0.371 1.243 -3.029) 3.295 8.636 ( -3.757 1.921 -2.202) 4.760 8.750 ( 3.850 -4.249 -2.315) 6.184 8.845 ( 0.768 0.487 -3.467) 3.584 9.038 ( -9.731 -0.098 2.911) 10.157 9.202 ( 3.436 -6.092 5.034) 8.617 9.354 ( 4.547 -4.499 -8.220) 10.416 9.594 ( 0.946 -4.544 -4.362) 6.369 9.789 ( -7.972 -5.385 2.570) 9.958 9.882 ( -2.441 -4.248 2.483) 5.492 10.110 ( -13.808 12.001 -1.229) 18.335 10.254 ( -12.056 11.457 -0.723) 16.647 10.373 ( 7.065 -0.345 0.410) 7.085 10.616 ( 16.302 -0.392 -2.122) 16.444 10.717 ( 3.637 -0.477 0.190) 3.673 10.756 ( -2.176 -2.575 -0.409) 3.396 10.980 ( 1.126 -2.467 6.476) 7.021 11.086 ( -0.846 0.165 2.105) 2.275 11.121 ( 4.257 2.009 5.314) 7.099 11.287 ( -2.915 7.142 -4.186) 8.776 11.348 ( -3.391 -2.376 -0.349) 4.155 11.514 ( -2.471 -0.101 -2.420) 3.460 11.573 ( -5.134 -0.869 2.474) 5.765 11.718 ( 4.217 -5.087 -3.689) 7.567 11.788 ( -6.259 1.078 1.054) 6.438 11.990 ( 4.305 -3.261 1.758) 5.680 12.185 ( 2.565 5.842 1.146) 6.482 12.281 ( 0.420 3.625 -3.251) 4.887 12.432 ( -3.048 2.806 -1.237) 4.324 12.576 ( 1.018 2.330 1.673) 3.044 12.796 ( -6.484 6.935 -3.944) 10.281 12.942 ( 4.619 5.973 0.082) 7.551 13.031 ( -3.790 -3.021 -0.414) 4.865 13.080 ( 2.812 -2.779 -2.755) 4.819 13.403 ( 7.912 -1.804 7.640) 11.145 13.562 ( 2.814 -0.680 -3.125) 4.260 14.155 ( 2.944 4.770 0.953) 5.686 14.237 ( 5.592 3.629 -0.756) 6.709 15.098 ( -11.651 -11.316 -1.759) 16.337 15.167 ( 0.040 -14.829 1.211) 14.878 15.464 ( -7.982 -21.455 10.593) 25.224 15.924 ( -9.254 -8.747 -10.969) 16.807 16.838 ( 1.052 6.878 2.414) 7.365 17.021 ( -6.671 4.967 1.154) 8.397 17.111 ( 7.750 0.357 -4.101) 8.775 17.168 ( 0.895 -3.030 1.608) 3.545 17.544 ( -3.429 -4.184 4.847) 7.264 17.739 ( -5.332 -6.403 -4.592) 9.514 18.816 ( 9.521 6.955 5.179) 12.878 19.085 ( 11.307 9.524 -5.776) 15.872 19.677 ( -2.439 -5.717 6.853) 9.252 19.942 ( -1.500 -0.908 -6.219) 6.462 21.117 ( 6.912 19.237 3.340) 20.712 21.203 ( 5.047 25.778 -3.639) 26.519 21.894 ( 4.685 2.391 5.589) 7.674 22.179 ( 2.575 3.519 -6.343) 7.697 22.804 ( -9.080 -14.137 4.638) 17.430 23.036 ( -2.949 -12.142 -2.947) 12.838 23.182 ( -2.945 -4.967 1.480) 5.961 23.281 ( -0.762 -0.923 -2.069) 2.391 ======================= Grid point 160 (38/58) ======================= q-point: ( 0.36 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 16.338 12.504 3.804) 20.923 3.408 ( 0.325 3.870 2.158) 4.443 3.614 ( -5.124 -5.207 5.662) 9.243 3.731 ( 5.285 2.752 -5.073) 7.826 3.865 ( 2.899 -0.901 1.317) 3.309 4.035 ( 3.477 7.429 -5.566) 9.913 4.266 ( -1.473 11.715 1.222) 11.870 4.410 ( -2.552 8.705 -1.621) 9.215 4.798 ( -1.978 0.441 5.362) 5.732 4.942 ( 2.584 -2.222 -7.501) 8.238 5.225 ( -2.972 -6.066 2.256) 7.122 5.445 ( -7.278 -3.823 7.135) 10.886 5.491 ( -1.640 -15.804 0.610) 15.901 5.643 ( -0.188 -7.349 -6.131) 9.573 5.954 ( 3.079 -8.342 -2.006) 9.116 6.021 ( 1.462 -12.483 -0.862) 12.598 6.254 ( 1.206 -11.962 1.542) 12.121 6.418 ( 2.917 -14.126 -2.100) 14.576 7.046 ( 0.834 0.286 3.796) 3.897 7.202 ( 1.868 2.202 1.328) 3.178 7.278 ( -2.516 1.033 -2.497) 3.692 7.324 ( 1.472 -5.121 1.584) 5.558 7.513 ( 1.788 5.182 -8.663) 10.251 7.616 ( 3.849 -3.737 -11.024) 12.260 7.789 ( -7.085 8.695 12.974) 17.150 7.995 ( -2.926 3.898 7.872) 9.259 8.189 ( -1.463 5.441 1.388) 5.802 8.240 ( 2.905 8.958 2.840) 9.836 8.386 ( 3.652 -4.881 2.501) 6.589 8.438 ( -7.828 7.991 1.830) 11.335 8.555 ( 0.679 1.571 -1.027) 1.995 8.619 ( 2.573 0.739 -4.820) 5.514 8.751 ( -4.303 -6.026 -3.546) 8.209 8.871 ( 4.335 2.639 -8.069) 9.532 8.973 ( -1.189 6.452 7.835) 10.219 9.248 ( 8.756 -8.013 3.628) 12.411 9.391 ( 1.710 -2.241 -10.684) 11.049 9.504 ( -2.891 -8.000 -6.753) 10.861 9.611 ( -2.594 -3.290 5.310) 6.764 9.765 ( -3.639 -8.002 -0.241) 8.794 10.029 ( -9.455 14.581 4.922) 18.062 10.208 ( -11.059 18.246 -1.097) 21.364 10.493 ( 4.233 3.101 3.510) 6.313 10.691 ( -4.376 1.072 2.566) 5.185 10.763 ( 1.944 -2.325 1.010) 3.195 10.835 ( 7.171 0.060 -6.138) 9.439 11.031 ( 3.891 -0.332 2.811) 4.812 11.067 ( 0.449 3.238 1.770) 3.717 11.145 ( -0.928 -4.795 4.350) 6.541 11.256 ( -4.044 4.791 2.002) 6.581 11.365 ( 2.914 -0.731 -1.238) 3.250 11.419 ( -8.443 4.499 -0.627) 9.587 11.500 ( -1.854 -0.717 -5.106) 5.480 11.657 ( -2.612 -4.577 -11.687) 12.820 11.772 ( 4.184 -2.195 7.621) 8.967 12.009 ( 2.751 -5.300 0.120) 5.973 12.285 ( 0.783 6.125 3.483) 7.090 12.312 ( -1.668 2.030 2.266) 3.469 12.486 ( 4.270 7.382 -4.332) 9.565 12.585 ( -6.376 6.546 5.318) 10.573 12.739 ( -5.644 3.646 -2.802) 7.280 12.868 ( -5.679 -0.347 -4.649) 7.348 13.103 ( 2.939 1.859 0.851) 3.580 13.143 ( 5.139 -0.848 -3.397) 6.218 13.467 ( 3.770 -7.104 6.459) 10.315 13.576 ( 3.292 -4.645 -2.787) 6.339 14.258 ( 1.658 5.973 0.538) 6.223 14.355 ( 2.375 2.335 -1.961) 3.866 14.879 ( 1.447 -10.660 2.375) 11.017 14.979 ( -1.707 -16.584 2.287) 16.827 15.218 ( 3.227 -16.161 8.474) 18.531 15.736 ( -3.666 -4.297 -12.436) 13.659 16.925 ( 0.117 5.977 0.627) 6.011 16.982 ( -2.896 4.756 -0.091) 5.569 17.154 ( -0.276 -1.203 3.923) 4.113 17.219 ( 4.595 -2.389 -2.054) 5.571 17.452 ( -2.569 -2.295 3.642) 5.013 17.623 ( -2.372 -1.757 -4.204) 5.137 19.028 ( 6.221 4.343 6.039) 9.697 19.328 ( 4.857 6.198 -6.277) 10.070 19.566 ( -1.227 -7.413 7.349) 10.511 19.890 ( -0.209 -3.969 -8.171) 9.086 21.339 ( -5.310 19.554 3.982) 20.649 21.479 ( -5.175 26.245 -4.190) 27.077 21.999 ( 4.851 0.185 4.400) 6.552 22.242 ( 1.055 2.547 -6.304) 6.880 22.538 ( -2.172 -14.383 7.469) 16.352 22.871 ( 1.802 -15.070 -5.982) 16.314 23.118 ( 0.096 -3.038 4.327) 5.288 23.268 ( -0.265 -0.145 -2.520) 2.538 ======================= Grid point 161 (39/58) ======================= q-point: (-0.55 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( -17.065 -7.746 4.529) 19.280 3.364 ( -9.306 -2.747 3.374) 10.273 3.514 ( 7.550 4.375 -0.481) 8.739 3.828 ( -0.841 0.668 1.664) 1.981 3.846 ( 0.541 -5.306 -1.397) 5.513 4.079 ( -4.435 -0.719 -6.216) 7.670 4.240 ( -12.630 8.654 1.871) 15.424 4.400 ( -7.330 6.862 -1.839) 10.208 4.713 ( -2.976 0.553 3.158) 4.375 5.015 ( 3.988 -2.701 -5.579) 7.371 5.266 ( 4.029 -0.245 3.840) 5.571 5.379 ( 5.683 2.565 5.214) 8.128 5.455 ( 14.025 -2.846 -1.187) 14.359 5.684 ( 11.223 -6.047 -3.568) 13.238 5.964 ( 4.547 -9.446 -1.469) 10.586 6.009 ( 9.279 -4.115 -0.794) 10.182 6.301 ( 12.493 -8.604 1.923) 15.291 6.400 ( 10.346 -7.576 -2.902) 13.148 7.072 ( 1.658 -0.526 6.139) 6.381 7.176 ( -2.631 -1.156 -0.370) 2.897 7.269 ( -4.383 -1.538 -1.593) 4.911 7.288 ( 0.793 2.642 -1.775) 3.280 7.529 ( -0.411 -1.901 -8.653) 8.869 7.617 ( -3.345 -2.496 -7.200) 8.322 7.790 ( -0.523 6.982 9.992) 12.201 7.997 ( -2.318 5.927 7.731) 10.014 8.189 ( -8.297 4.691 6.193) 11.366 8.291 ( -3.531 1.256 1.032) 3.887 8.318 ( -5.639 3.890 3.050) 7.499 8.460 ( 5.001 -2.604 -0.488) 5.660 8.564 ( -2.298 -0.262 -4.949) 5.463 8.600 ( -2.671 2.674 -3.302) 5.019 8.728 ( 4.757 1.035 -2.327) 5.396 8.926 ( -5.525 1.642 -6.449) 8.649 9.011 ( 2.498 0.664 8.995) 9.359 9.235 ( -0.407 -7.354 0.804) 7.409 9.360 ( 5.199 -7.358 -6.441) 11.075 9.448 ( 0.822 -3.192 -7.051) 7.784 9.651 ( 6.037 1.079 2.978) 6.817 9.746 ( 7.595 0.740 -0.510) 7.648 10.062 ( -5.389 16.985 5.283) 18.586 10.204 ( -9.757 16.743 -1.630) 19.447 10.538 ( -2.550 -0.092 5.297) 5.880 10.657 ( -0.649 1.390 0.847) 1.752 10.728 ( -0.331 -3.659 -1.712) 4.053 10.862 ( -2.590 -2.327 -2.946) 4.561 11.007 ( -7.200 -5.771 2.131) 9.471 11.058 ( 1.627 0.272 0.627) 1.764 11.149 ( 0.221 -2.513 5.867) 6.386 11.244 ( 1.060 6.398 1.530) 6.663 11.382 ( -1.245 3.785 -2.039) 4.476 11.408 ( 2.247 1.261 -0.345) 2.599 11.540 ( 4.523 3.673 -5.541) 8.041 11.587 ( -2.833 -0.746 -5.432) 6.172 11.849 ( 5.593 -1.947 2.848) 6.571 11.987 ( 1.305 -5.509 -0.061) 5.662 12.279 ( -1.289 -1.097 1.071) 2.003 12.328 ( -3.634 5.717 4.231) 7.987 12.479 ( -8.894 3.536 -0.555) 9.587 12.627 ( -4.649 1.634 -0.544) 4.958 12.703 ( 5.481 8.414 1.502) 10.154 12.851 ( -1.893 4.932 -6.763) 8.582 13.102 ( -2.937 -0.300 0.888) 3.083 13.195 ( 1.832 -3.593 -4.935) 6.373 13.396 ( -0.523 -8.784 6.557) 10.973 13.609 ( 4.492 -4.654 -1.160) 6.572 14.266 ( -5.475 0.891 0.798) 5.604 14.335 ( -4.634 -0.032 -2.037) 5.062 14.894 ( 9.049 -8.344 1.658) 12.420 14.980 ( 16.869 -5.291 2.680) 17.881 15.216 ( 10.993 -10.801 8.746) 17.720 15.733 ( 5.593 0.893 -12.548) 13.767 16.947 ( -3.057 4.956 0.559) 5.850 17.011 ( -0.067 4.752 -2.089) 5.191 17.079 ( -5.920 -2.241 4.769) 7.926 17.238 ( 2.225 -5.727 -0.753) 6.190 17.451 ( 2.547 1.764 3.308) 4.532 17.627 ( 3.071 1.046 -3.965) 5.123 19.040 ( -5.989 -3.216 6.514) 9.415 19.318 ( -8.444 -1.084 -6.756) 10.868 19.552 ( 5.898 -2.611 6.686) 9.290 19.908 ( 5.092 -1.898 -7.514) 9.274 21.310 ( -16.914 14.177 2.898) 22.259 21.502 ( -18.118 17.765 -3.094) 25.562 22.002 ( -2.196 -3.846 4.577) 6.368 22.239 ( -3.054 0.345 -6.470) 7.163 22.553 ( 14.682 -5.386 8.004) 17.568 22.856 ( 10.773 -9.135 -6.428) 15.519 23.121 ( 3.025 -1.672 4.274) 5.497 23.267 ( 0.160 0.173 -2.570) 2.581 ======================= Grid point 162 (40/58) ======================= q-point: (-0.45 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -23.156 -9.867 14.249) 28.923 3.160 ( -14.220 2.648 -5.617) 15.517 3.551 ( -16.279 -3.506 -1.211) 16.696 3.669 ( -5.532 3.818 3.509) 7.583 3.746 ( -10.323 -4.740 1.742) 11.492 3.827 ( -9.831 -4.919 -13.416) 17.344 4.210 ( -4.185 4.950 -1.386) 6.628 4.309 ( -6.993 1.675 -1.772) 7.406 4.673 ( -2.164 0.291 10.734) 10.954 5.040 ( 2.349 -4.007 -6.147) 7.704 5.386 ( 7.570 4.254 7.374) 11.393 5.603 ( 14.823 -0.138 -1.520) 14.901 5.819 ( 12.649 2.868 2.531) 13.214 5.877 ( 21.729 -1.676 -2.397) 21.925 5.950 ( 2.834 -4.752 -0.177) 5.535 6.153 ( 8.450 -1.587 -2.318) 8.904 6.442 ( 11.029 -0.751 -0.010) 11.055 6.664 ( 22.529 -4.656 -2.213) 23.111 7.041 ( -10.269 1.804 0.034) 10.426 7.135 ( -4.435 3.291 -4.389) 7.054 7.160 ( 1.424 -3.694 4.664) 6.117 7.299 ( -3.193 -1.910 -0.696) 3.785 7.486 ( -4.845 -0.701 -3.985) 6.312 7.542 ( 4.022 1.580 -7.321) 8.501 7.772 ( -6.815 1.440 9.364) 11.671 8.070 ( 1.830 -0.512 9.404) 9.594 8.108 ( -1.095 3.404 2.418) 4.316 8.213 ( -1.222 4.920 -2.309) 5.571 8.335 ( -0.584 3.318 2.654) 4.289 8.436 ( 0.978 -5.185 0.213) 5.281 8.536 ( -2.891 0.856 -5.520) 6.290 8.646 ( 3.915 2.519 1.406) 4.863 8.789 ( -2.796 -4.078 -2.091) 5.368 8.809 ( 1.134 2.270 -4.232) 4.934 9.109 ( 7.639 -0.269 5.567) 9.456 9.203 ( 3.029 -3.771 1.890) 5.193 9.346 ( 1.854 -7.185 -4.018) 8.438 9.516 ( 4.630 3.279 -8.287) 10.043 9.785 ( 6.230 1.552 3.697) 7.409 9.902 ( 7.109 1.442 0.863) 7.305 10.179 ( -4.886 21.055 2.672) 21.779 10.217 ( -2.786 8.931 -3.924) 10.145 10.455 ( -3.362 -5.141 2.136) 6.503 10.525 ( -5.817 -12.963 -3.549) 14.645 10.712 ( -1.475 -3.407 1.112) 3.876 10.788 ( -0.085 -1.599 -3.150) 3.533 10.914 ( 0.601 3.830 7.756) 8.670 11.075 ( -0.214 0.146 1.978) 1.994 11.092 ( -4.026 -0.126 3.298) 5.206 11.340 ( 1.982 0.451 -0.481) 2.089 11.425 ( 0.928 5.033 -2.254) 5.592 11.459 ( -0.151 -3.048 -1.284) 3.311 11.517 ( 0.815 5.449 0.760) 5.562 11.707 ( 5.892 3.082 -0.814) 6.699 11.848 ( -2.824 -2.402 -1.200) 3.897 11.970 ( 1.601 -3.337 2.528) 4.483 12.216 ( -4.969 -2.241 -0.477) 5.472 12.303 ( -0.373 0.284 -0.658) 0.808 12.421 ( -2.189 4.341 -2.223) 5.346 12.574 ( -1.480 0.859 1.566) 2.320 12.804 ( -9.019 4.260 -4.766) 11.055 12.897 ( 3.651 7.700 1.155) 8.599 13.067 ( -0.222 -1.499 -1.671) 2.256 13.101 ( -1.922 -6.665 -3.151) 7.619 13.340 ( -0.604 -2.317 7.663) 8.029 13.591 ( -1.357 -5.291 -1.772) 5.743 14.156 ( -5.731 -0.801 1.078) 5.886 14.227 ( -5.679 -1.440 -0.848) 5.920 15.070 ( 12.747 0.346 -0.643) 12.768 15.253 ( 18.275 -8.065 -3.194) 20.229 15.404 ( 18.514 0.843 13.234) 22.773 15.933 ( 13.478 2.826 -10.300) 17.197 16.903 ( -5.818 -1.648 4.571) 7.580 16.966 ( -5.597 4.932 -1.583) 7.626 17.078 ( 2.195 5.562 -2.170) 6.361 17.195 ( 0.714 -7.520 0.172) 7.556 17.533 ( 4.263 2.275 4.606) 6.675 17.742 ( 8.191 1.022 -4.306) 9.310 18.829 ( -10.733 -5.814 5.597) 13.429 19.078 ( -13.758 -4.357 -6.210) 15.711 19.660 ( 5.795 0.781 6.018) 8.391 19.966 ( 2.110 -1.265 -5.379) 5.915 21.073 ( -21.220 7.422 1.667) 22.542 21.237 ( -23.926 5.530 -1.963) 24.635 21.904 ( -4.159 -3.478 5.937) 8.040 22.173 ( -4.532 0.020 -6.692) 8.082 22.820 ( 17.078 -0.711 5.360) 17.913 23.014 ( 11.567 -1.588 -3.655) 12.234 23.189 ( 6.034 -0.638 1.596) 6.274 23.279 ( 0.969 0.423 -2.199) 2.440 ======================= Grid point 170 (41/58) ======================= q-point: ( 0.27 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 8.092 19.981 7.780) 22.919 3.395 ( 7.539 6.225 -3.316) 10.324 3.599 ( 1.266 -4.022 1.547) 4.491 3.717 ( -4.742 0.172 -3.542) 5.921 3.846 ( 2.072 3.409 4.399) 5.938 4.049 ( 2.496 6.815 -5.383) 9.036 4.350 ( 6.509 10.668 2.482) 12.741 4.472 ( 6.185 9.420 -2.630) 11.572 4.765 ( 5.043 1.635 3.751) 6.494 4.937 ( -4.425 -1.952 -4.724) 6.760 5.261 ( -6.518 -6.823 4.753) 10.565 5.354 ( -4.560 -13.602 -0.483) 14.354 5.550 ( -6.844 -7.708 1.910) 10.484 5.624 ( -3.048 -11.343 2.496) 12.008 5.836 ( -3.477 -5.123 -2.916) 6.844 5.953 ( -6.013 -9.525 -4.517) 12.136 6.183 ( -9.091 -13.088 1.929) 16.052 6.303 ( -6.177 -10.778 -3.159) 12.818 7.058 ( -1.060 0.461 5.479) 5.600 7.177 ( 0.881 -2.527 5.871) 6.452 7.243 ( 2.151 2.967 0.155) 3.668 7.358 ( 0.584 2.181 -6.225) 6.622 7.503 ( 1.002 -2.120 -14.483) 14.672 7.560 ( 0.048 4.053 -9.389) 10.226 7.897 ( 3.210 1.249 12.345) 12.817 8.054 ( -0.186 3.848 14.809) 15.302 8.236 ( 4.447 4.133 10.799) 12.388 8.261 ( -0.332 4.020 -4.423) 5.986 8.365 ( -1.570 4.883 1.013) 5.228 8.429 ( 7.090 1.739 1.759) 7.509 8.615 ( 2.305 1.162 -8.992) 9.355 8.677 ( 1.010 -0.475 -3.934) 4.089 8.755 ( -2.467 2.871 -0.234) 3.792 8.852 ( 0.071 3.129 -3.460) 4.666 9.052 ( 0.948 -3.003 3.677) 4.841 9.088 ( -4.834 0.175 5.220) 7.117 9.320 ( 3.641 0.353 -9.675) 10.344 9.429 ( -1.216 -7.134 -12.006) 14.019 9.657 ( -6.164 -7.709 6.498) 11.817 9.746 ( -4.707 -8.402 2.923) 10.065 10.319 ( -0.377 6.562 5.181) 8.369 10.393 ( 4.603 4.354 3.163) 7.081 10.550 ( -5.058 12.288 -1.629) 13.388 10.595 ( 14.592 -0.492 -1.977) 14.733 10.707 ( 1.811 -0.345 -0.905) 2.054 10.768 ( -3.148 2.385 -2.703) 4.786 10.947 ( -0.462 -1.934 3.985) 4.454 11.069 ( 2.516 1.280 1.434) 3.167 11.151 ( 0.857 1.431 7.878) 8.053 11.319 ( 1.378 -0.747 -1.540) 2.197 11.400 ( -3.693 0.721 -0.348) 3.778 11.480 ( 2.062 0.124 -5.206) 5.600 11.582 ( 2.268 -0.681 -2.253) 3.269 11.619 ( -2.143 -4.187 -3.230) 5.705 11.777 ( -8.410 -2.585 0.490) 8.812 11.898 ( -0.375 -4.942 -2.526) 5.563 12.284 ( 3.861 3.541 4.481) 6.894 12.373 ( -0.196 3.592 6.915) 7.794 12.499 ( 2.992 7.132 -4.463) 8.930 12.636 ( 3.216 3.280 -0.842) 4.669 12.845 ( 0.449 -4.776 -4.089) 6.304 12.919 ( -3.483 -4.447 -3.602) 6.699 13.093 ( -1.215 7.057 -0.117) 7.162 13.118 ( 4.542 6.534 -0.789) 7.996 13.340 ( 2.232 -4.656 7.587) 9.177 13.523 ( -3.866 -3.135 -2.526) 5.582 14.284 ( 4.642 7.556 1.182) 8.946 14.328 ( 3.513 5.991 -0.861) 6.998 14.847 ( -5.883 -14.156 -0.372) 15.335 14.877 ( -10.054 -12.580 -0.945) 16.132 15.098 ( -7.231 -12.620 14.922) 20.838 15.740 ( -4.456 -8.052 -14.707) 17.349 16.987 ( 0.579 6.385 3.210) 7.170 17.082 ( 1.783 0.464 -0.944) 2.070 17.107 ( 3.635 -2.630 0.349) 4.501 17.113 ( -2.038 2.021 -0.543) 2.922 17.469 ( -2.541 -4.125 4.030) 6.302 17.639 ( -1.865 -3.000 -3.463) 4.947 19.007 ( 5.648 10.736 6.450) 13.739 19.320 ( 7.616 12.444 -7.380) 16.349 19.529 ( -4.284 -8.499 7.080) 11.862 19.871 ( -4.253 -6.046 -7.951) 10.856 21.506 ( 12.055 18.101 4.605) 22.230 21.702 ( 11.687 22.418 -3.985) 25.593 21.935 ( 0.808 2.101 5.791) 6.213 22.235 ( 1.306 1.946 -7.394) 7.756 22.488 ( -10.066 -16.444 5.639) 20.088 22.747 ( -8.197 -15.449 -5.050) 18.203 23.102 ( -1.763 -2.820 4.928) 5.945 23.269 ( -0.168 -0.333 -2.844) 2.868 ======================= Grid point 171 (42/58) ======================= q-point: ( 0.36 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( 2.565 7.463 2.284) 8.215 3.485 ( -5.757 3.031 0.530) 6.528 3.518 ( -5.436 -0.201 3.104) 6.263 3.680 ( 5.940 -5.848 -3.245) 8.945 3.842 ( 1.288 -1.720 5.242) 5.666 4.075 ( 0.837 -0.777 -5.044) 5.172 4.561 ( -6.266 12.808 1.211) 14.309 4.620 ( -7.078 10.584 -1.403) 12.810 4.761 ( -2.303 -3.094 2.127) 4.404 4.886 ( 6.298 -4.871 -3.452) 8.678 5.156 ( 4.261 -2.668 1.868) 5.363 5.211 ( 2.830 -8.173 0.063) 8.649 5.453 ( -3.551 3.378 4.330) 6.539 5.533 ( 1.147 -3.170 1.695) 3.773 5.786 ( 4.270 -5.475 -4.417) 8.229 5.824 ( 3.700 -6.598 -5.314) 9.245 6.026 ( 5.444 -7.849 3.600) 10.208 6.194 ( 3.411 -6.502 -3.560) 8.160 7.067 ( -0.531 1.906 7.064) 7.336 7.146 ( 1.393 -4.211 8.211) 9.333 7.267 ( 0.204 -0.242 0.477) 0.572 7.371 ( -2.231 4.232 -9.012) 10.203 7.519 ( -0.295 -1.361 -13.707) 13.778 7.566 ( 2.691 -2.542 -12.762) 13.288 7.908 ( -3.102 3.003 12.847) 13.553 8.098 ( -1.588 5.576 15.123) 16.196 8.241 ( 2.674 -5.904 14.737) 16.100 8.308 ( -0.930 3.623 -6.302) 7.329 8.463 ( -4.434 7.042 -0.880) 8.368 8.579 ( -4.209 5.701 1.036) 7.162 8.604 ( -0.638 1.261 1.902) 2.370 8.632 ( 0.221 0.602 -2.245) 2.335 8.698 ( -3.124 2.238 -9.435) 10.187 8.907 ( 4.009 -2.747 -0.426) 4.879 9.035 ( 1.902 -1.301 -6.796) 7.176 9.089 ( 1.934 -3.893 1.538) 4.610 9.365 ( -4.268 0.044 -3.427) 5.474 9.418 ( -0.327 1.973 -4.748) 5.152 9.521 ( 4.773 -4.765 2.554) 7.211 9.608 ( 3.469 -6.804 1.072) 7.713 10.344 ( -7.262 14.437 6.405) 17.384 10.528 ( -8.148 7.445 2.760) 11.377 10.541 ( 4.035 1.040 5.416) 6.834 10.690 ( -2.358 1.740 -1.636) 3.356 10.714 ( -1.022 -1.255 -0.801) 1.806 10.820 ( 3.175 -3.285 -5.875) 7.442 10.898 ( 4.522 -6.812 2.892) 8.673 11.089 ( -0.443 -0.150 -2.427) 2.472 11.223 ( -3.345 6.830 7.455) 10.649 11.314 ( -3.226 0.256 -0.305) 3.250 11.361 ( 2.384 -0.229 3.195) 3.993 11.497 ( -0.642 -0.370 -8.597) 8.629 11.525 ( -4.272 4.778 -4.958) 8.103 11.594 ( 1.859 -0.028 -6.174) 6.448 11.717 ( 3.837 -3.127 3.778) 6.227 11.853 ( 3.696 -8.005 -2.566) 9.183 12.340 ( -3.597 1.550 6.988) 8.011 12.383 ( 1.833 1.740 8.072) 8.459 12.656 ( 0.303 7.347 -3.738) 8.248 12.699 ( -2.052 5.035 0.009) 5.437 12.730 ( -7.338 -2.559 -3.457) 8.505 12.843 ( 4.343 -2.921 -7.432) 9.090 13.159 ( 0.847 4.495 1.605) 4.847 13.228 ( -4.947 6.751 -0.592) 8.391 13.301 ( 1.191 -7.789 5.553) 9.640 13.453 ( 5.413 -7.060 -2.261) 9.179 14.410 ( -5.032 7.574 0.328) 9.099 14.431 ( -2.935 5.985 -0.731) 6.705 14.660 ( 7.350 -10.419 0.918) 12.784 14.686 ( 4.861 -10.946 0.237) 11.979 14.973 ( 4.196 -6.690 14.474) 16.488 15.652 ( 1.560 -2.864 -15.716) 16.051 17.029 ( -1.395 3.974 1.262) 4.397 17.073 ( -1.418 3.216 0.039) 3.514 17.122 ( -0.454 -2.039 0.091) 2.091 17.146 ( 1.714 -2.771 -0.176) 3.263 17.406 ( 1.175 -1.854 5.454) 5.879 17.612 ( 0.051 0.013 -3.724) 3.724 19.163 ( -4.063 7.616 6.967) 11.093 19.396 ( 4.406 -8.221 7.322) 11.858 19.501 ( -5.656 9.270 -8.077) 13.534 19.760 ( 4.953 -7.924 -8.815) 12.846 21.741 ( -11.624 18.799 5.849) 22.864 21.981 ( -6.700 14.112 -1.611) 15.704 22.000 ( -4.528 6.769 1.662) 8.312 22.219 ( 9.302 -15.155 7.729) 19.389 22.278 ( -0.581 0.354 -8.353) 8.380 22.524 ( 9.903 -17.682 -5.942) 21.120 23.072 ( 0.740 -1.228 6.135) 6.300 23.266 ( 0.015 -0.033 -3.142) 3.142 ======================= Grid point 266 (43/58) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.000 -0.000 -37.959) 37.959 1.372 ( 0.000 0.000 -37.959) 37.959 1.372 ( 0.000 0.000 37.959) 37.959 1.372 ( 0.000 0.000 37.959) 37.959 2.660 ( 0.000 0.000 -69.649) 69.649 2.660 ( 0.000 -0.000 69.649) 69.649 3.801 ( 0.000 0.000 -23.961) 23.961 3.801 ( 0.000 -0.000 -23.961) 23.961 3.801 ( 0.000 -0.000 23.961) 23.961 3.801 ( 0.000 -0.000 23.961) 23.961 6.077 ( 0.000 -0.000 -0.171) 0.171 6.077 ( 0.000 0.000 0.171) 0.171 6.428 ( 0.000 0.000 -5.964) 5.964 6.428 ( 0.000 -0.000 5.964) 5.964 6.541 ( 0.000 0.000 -11.083) 11.083 6.541 ( -0.000 0.000 -11.083) 11.083 6.541 ( 0.000 -0.000 11.083) 11.083 6.541 ( 0.000 -0.000 11.083) 11.083 7.360 ( 0.000 0.000 -5.748) 5.748 7.360 ( 0.000 -0.000 -5.748) 5.748 7.360 ( 0.000 0.000 5.748) 5.748 7.360 ( 0.000 -0.000 5.748) 5.748 7.597 ( 0.000 0.000 -29.831) 29.831 7.597 ( 0.000 -0.000 29.831) 29.831 8.299 ( 0.000 -0.000 -17.217) 17.217 8.299 ( 0.000 0.000 17.217) 17.217 8.594 ( -0.000 -0.000 -9.403) 9.403 8.594 ( 0.000 0.000 -9.403) 9.403 8.594 ( 0.000 0.000 9.403) 9.403 8.594 ( 0.000 0.000 9.403) 9.403 9.285 ( 0.000 0.000 -6.264) 6.264 9.285 ( 0.000 0.000 -6.264) 6.264 9.285 ( 0.000 -0.000 6.264) 6.264 9.285 ( 0.000 0.000 6.264) 6.264 9.707 ( 0.000 0.000 -4.087) 4.087 9.707 ( 0.000 -0.000 -4.087) 4.087 9.707 ( 0.000 -0.000 4.087) 4.087 9.707 ( 0.000 -0.000 4.087) 4.087 10.200 ( 0.000 -0.000 -15.701) 15.701 10.200 ( 0.000 0.000 15.701) 15.701 10.661 ( 0.000 -0.000 -0.341) 0.341 10.661 ( 0.000 0.000 0.341) 0.341 10.661 ( 0.000 0.000 -0.341) 0.341 10.661 ( 0.000 0.000 0.341) 0.341 10.717 ( 0.000 -0.000 -3.337) 3.337 10.717 ( -0.000 0.000 3.337) 3.337 11.015 ( 0.000 -0.000 -2.989) 2.989 11.015 ( -0.000 0.000 -2.989) 2.989 11.015 ( 0.000 -0.000 2.989) 2.989 11.015 ( 0.000 0.000 2.989) 2.989 11.147 ( 0.000 -0.000 -4.502) 4.502 11.147 ( 0.000 0.000 4.502) 4.502 11.893 ( -0.000 -0.000 -3.931) 3.931 11.893 ( 0.000 0.000 -3.931) 3.931 11.893 ( 0.000 0.000 3.931) 3.931 11.893 ( 0.000 0.000 3.931) 3.931 12.075 ( 0.000 -0.000 -6.166) 6.166 12.075 ( 0.000 0.000 6.166) 6.166 12.332 ( 0.000 -0.000 -4.803) 4.803 12.332 ( -0.000 -0.000 -4.803) 4.803 12.332 ( 0.000 0.000 4.803) 4.803 12.332 ( 0.000 -0.000 4.803) 4.803 13.147 ( 0.000 0.000 -9.093) 9.093 13.147 ( 0.000 -0.000 9.093) 9.093 13.837 ( 0.000 0.000 -0.396) 0.396 13.837 ( -0.000 -0.000 0.396) 0.396 13.837 ( -0.000 0.000 -0.396) 0.396 13.837 ( 0.000 -0.000 0.396) 0.396 14.907 ( 0.000 0.000 -8.905) 8.905 14.907 ( 0.000 0.000 8.905) 8.905 16.841 ( 0.000 0.000 -0.232) 0.232 16.841 ( 0.000 0.000 0.232) 0.232 16.841 ( -0.000 -0.000 -0.232) 0.232 16.841 ( 0.000 -0.000 0.232) 0.232 18.243 ( 0.000 -0.000 -2.631) 2.631 18.243 ( 0.000 0.000 -2.631) 2.631 18.243 ( 0.000 0.000 2.631) 2.631 18.243 ( 0.000 0.000 2.631) 2.631 18.419 ( 0.000 -0.000 -2.593) 2.593 18.419 ( 0.000 0.000 2.593) 2.593 19.686 ( 0.000 -0.000 -1.538) 1.538 19.686 ( 0.000 -0.000 -1.538) 1.538 19.686 ( 0.000 -0.000 1.538) 1.538 19.686 ( 0.000 -0.000 1.538) 1.538 20.252 ( 0.000 -0.000 -0.714) 0.714 20.252 ( 0.000 0.000 0.714) 0.714 23.462 ( 0.000 -0.000 -0.817) 0.817 23.462 ( -0.000 0.000 0.817) 0.817 23.577 ( 0.000 -0.000 -0.494) 0.494 23.577 ( 0.000 0.000 0.494) 0.494 ======================= Grid point 268 (44/58) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 10.600 6.120 30.708) 33.057 1.711 ( 29.900 17.263 -25.116) 42.695 1.731 ( 21.244 12.265 -32.419) 40.654 1.863 ( 23.789 13.734 34.107) 43.793 2.859 ( 16.808 9.704 -60.793) 63.816 2.938 ( 25.950 14.982 56.047) 63.555 3.660 ( -5.906 -3.410 23.787) 24.745 3.731 ( 0.206 0.119 -21.231) 21.232 3.932 ( 5.386 3.110 -18.722) 19.728 3.980 ( 8.693 5.019 16.850) 19.613 6.011 ( -5.499 -3.175 -0.687) 6.387 6.017 ( -4.669 -2.695 1.126) 5.507 6.365 ( -4.955 -2.861 -4.864) 7.510 6.378 ( -4.064 -2.346 5.024) 6.875 6.416 ( -5.293 -3.056 -0.021) 6.112 6.487 ( -1.065 -0.615 -1.613) 2.029 6.617 ( 1.921 1.109 6.983) 7.327 6.682 ( 6.910 3.990 -5.918) 9.934 7.303 ( -3.338 -1.927 3.291) 5.068 7.361 ( 1.790 1.034 -3.522) 4.084 7.382 ( 0.556 0.321 -3.610) 3.667 7.409 ( 1.845 1.065 5.151) 5.574 7.617 ( 1.395 0.805 26.154) 26.204 7.619 ( 1.918 1.108 -28.369) 28.456 8.116 ( -13.445 -7.763 -10.579) 18.787 8.165 ( -7.632 -4.407 11.458) 14.456 8.569 ( -3.568 -2.060 -1.952) 4.559 8.570 ( -1.672 -0.965 7.901) 8.133 8.655 ( 2.106 1.216 -3.337) 4.129 8.669 ( 4.144 2.393 -4.252) 6.401 9.150 ( -14.572 -8.413 -4.660) 17.460 9.183 ( -5.388 -3.111 4.789) 7.852 9.310 ( 2.577 1.488 -5.456) 6.215 9.344 ( -1.037 -0.599 5.626) 5.752 9.512 ( -12.142 -7.010 2.101) 14.177 9.531 ( -10.426 -6.019 5.664) 13.305 9.543 ( -8.438 -4.872 -1.882) 9.923 9.643 ( -6.147 -3.549 -4.621) 8.470 10.027 ( -11.868 -6.852 11.600) 17.954 10.123 ( -6.501 -3.753 -12.506) 14.586 10.469 ( -1.819 -1.050 0.631) 2.193 10.481 ( -9.379 -5.415 -1.836) 10.984 10.492 ( -9.254 -5.343 -3.033) 11.108 10.582 ( -6.297 -3.636 6.752) 9.923 10.687 ( -7.843 -4.528 -2.921) 9.516 10.798 ( 0.235 0.135 8.121) 8.125 11.006 ( 2.321 1.340 -11.666) 11.970 11.067 ( 3.174 1.833 2.359) 4.359 11.127 ( 12.491 7.211 3.330) 14.802 11.185 ( 9.458 5.460 -1.572) 11.033 11.338 ( 8.261 4.770 2.967) 9.990 11.347 ( 7.370 4.255 -2.357) 8.830 11.661 ( -4.810 -2.777 -0.138) 5.555 11.774 ( -2.588 -1.494 1.489) 3.338 11.803 ( -1.963 -1.133 -1.721) 2.845 11.982 ( 2.219 1.281 -1.940) 3.214 12.126 ( -4.587 -2.648 6.070) 8.055 12.188 ( -0.281 -0.162 -4.415) 4.427 12.265 ( -3.589 -2.072 -3.498) 5.423 12.303 ( -3.362 -1.941 2.663) 4.707 12.519 ( 15.285 8.825 -1.590) 17.721 12.570 ( 18.101 10.450 3.586) 21.206 13.122 ( -3.536 -2.042 -9.593) 10.426 13.126 ( -4.317 -2.492 10.720) 11.822 13.435 ( -18.952 -10.942 9.343) 23.795 13.495 ( -14.312 -8.263 -9.611) 19.117 13.852 ( 2.179 1.258 0.532) 2.571 13.884 ( 3.094 1.786 -0.182) 3.577 15.193 ( 13.815 7.976 10.151) 18.908 15.253 ( 17.471 10.087 -10.620) 22.798 16.805 ( -3.072 -1.773 0.206) 3.553 16.807 ( -4.801 -2.772 -1.704) 5.799 16.827 ( -2.015 -1.163 0.065) 2.328 16.853 ( 0.726 0.419 -0.280) 0.884 17.693 ( -25.851 -14.925 1.221) 29.875 17.716 ( -26.375 -15.227 -0.409) 30.458 18.263 ( 2.101 1.213 -1.371) 2.786 18.280 ( -0.604 -0.349 2.231) 2.337 18.383 ( -6.305 -3.640 0.004) 7.280 18.414 ( -2.484 -1.434 -0.984) 3.032 19.713 ( 2.720 1.570 -0.892) 3.265 19.717 ( 2.114 1.221 0.375) 2.470 19.774 ( 8.365 4.829 1.803) 9.826 19.851 ( 12.406 7.163 -0.819) 14.349 20.881 ( 34.885 20.141 14.897) 42.948 20.896 ( 35.758 20.645 -14.979) 43.923 23.430 ( -2.759 -1.593 0.599) 3.242 23.434 ( -2.348 -1.356 -0.679) 2.795 23.555 ( -1.902 -1.098 -0.837) 2.350 23.556 ( -1.873 -1.081 0.808) 2.309 ======================= Grid point 270 (45/58) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 20.548 11.863 16.577) 28.944 2.294 ( 25.752 14.868 -24.005) 38.216 2.314 ( 16.860 9.734 38.356) 43.014 2.407 ( 26.271 15.168 -23.674) 38.479 3.419 ( 27.420 15.831 -30.459) 43.935 3.534 ( -3.499 -2.020 20.376) 20.773 3.679 ( 17.780 10.265 0.288) 20.532 3.915 ( 28.041 16.189 12.958) 34.875 4.051 ( 4.641 2.679 -12.383) 13.493 4.207 ( 12.369 7.142 5.608) 15.345 5.845 ( -7.508 -4.335 -0.953) 8.721 5.879 ( -6.910 -3.990 2.980) 8.518 6.210 ( -7.240 -4.180 -2.434) 8.707 6.245 ( -7.027 -4.057 4.158) 9.117 6.332 ( -2.598 -1.500 -5.827) 6.554 6.459 ( -1.086 -0.627 0.263) 1.282 6.618 ( -2.273 -1.312 9.237) 9.602 6.820 ( 3.399 1.963 -4.820) 6.216 7.215 ( -3.465 -2.000 2.046) 4.493 7.374 ( -2.041 -1.178 7.792) 8.140 7.433 ( 0.884 0.511 -6.415) 6.496 7.435 ( 3.876 2.238 -2.368) 5.064 7.636 ( -0.745 -0.430 17.521) 17.542 7.693 ( 3.672 2.120 -26.583) 26.919 7.738 ( -16.566 -9.564 -5.866) 20.008 8.000 ( -7.578 -4.375 8.228) 12.012 8.428 ( -7.428 -4.289 -1.145) 8.653 8.487 ( -6.148 -3.549 -2.984) 7.700 8.636 ( -8.919 -5.149 1.421) 10.396 8.675 ( -0.894 -0.516 -1.989) 2.241 8.783 ( -12.743 -7.357 3.129) 15.043 8.977 ( -12.870 -7.430 -1.994) 14.994 9.126 ( -7.316 -4.224 6.360) 10.575 9.194 ( -13.305 -7.682 -1.338) 15.421 9.247 ( -5.477 -3.162 6.880) 9.345 9.478 ( -2.782 -1.606 -0.836) 3.320 9.516 ( 3.726 2.151 -5.672) 7.120 9.546 ( 0.606 0.350 5.949) 5.990 9.808 ( -7.305 -4.218 4.229) 9.436 9.956 ( -6.360 -3.672 -3.834) 8.284 10.249 ( -9.769 -5.640 -9.248) 14.587 10.306 ( -5.372 -3.101 3.631) 7.188 10.479 ( -1.791 -1.034 -2.935) 3.591 10.542 ( 2.574 1.486 5.765) 6.486 10.606 ( 4.464 2.577 -0.254) 5.160 10.805 ( 0.744 0.430 8.582) 8.625 10.995 ( -3.328 -1.921 -16.814) 17.248 11.005 ( -7.920 -4.573 6.226) 11.064 11.233 ( -2.528 -1.460 -6.347) 6.986 11.403 ( 5.996 3.462 3.609) 7.808 11.462 ( 4.639 2.679 -5.840) 7.925 11.495 ( 6.662 3.847 7.410) 10.681 11.575 ( -5.392 -3.113 -1.013) 6.308 11.776 ( -2.561 -1.479 0.935) 3.102 11.944 ( 10.101 5.832 -4.013) 12.335 11.951 ( 0.162 0.094 5.664) 5.667 12.092 ( 1.864 1.076 4.840) 5.297 12.132 ( -2.704 -1.561 -3.670) 4.819 12.215 ( -0.008 -0.005 -1.334) 1.334 12.224 ( -2.443 -1.410 0.040) 2.821 12.835 ( -2.807 -1.620 10.930) 11.400 12.898 ( 8.129 4.693 -2.203) 9.642 12.967 ( 8.984 5.187 1.657) 10.506 12.981 ( -6.621 -3.823 -8.581) 11.493 13.272 ( -0.160 -0.093 4.882) 4.886 13.353 ( 0.747 0.431 -5.971) 6.033 13.937 ( 4.950 2.858 0.420) 5.731 13.970 ( 3.942 2.276 -0.134) 4.554 15.417 ( 5.107 2.948 1.492) 6.083 15.524 ( 5.804 3.351 -1.794) 6.938 16.577 ( -13.117 -7.573 -2.036) 15.283 16.633 ( -14.318 -8.266 1.340) 16.587 16.766 ( -2.856 -1.649 0.703) 3.372 16.825 ( -2.514 -1.451 0.570) 2.958 17.263 ( -11.995 -6.925 6.510) 15.304 17.287 ( -8.423 -4.863 -7.816) 12.477 18.108 ( -10.268 -5.928 -3.406) 12.336 18.123 ( -10.046 -5.800 4.318) 12.378 18.461 ( 10.037 5.795 -2.861) 11.938 18.520 ( 8.872 5.122 2.143) 10.466 19.774 ( 2.436 1.406 -0.952) 2.969 19.796 ( 3.998 2.308 0.427) 4.636 20.027 ( 12.256 7.076 1.578) 14.239 20.185 ( 15.131 8.736 -0.754) 17.488 21.516 ( 19.332 11.161 14.302) 26.511 21.548 ( 19.805 11.435 -14.081) 26.856 23.344 ( -4.357 -2.515 1.944) 5.393 23.364 ( -3.300 -1.905 -1.896) 4.256 23.480 ( -4.696 -2.711 -2.274) 5.880 23.482 ( -4.505 -2.601 1.885) 5.533 ======================= Grid point 272 (46/58) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 22.494 12.987 5.193) 26.488 2.727 ( 18.857 10.887 33.715) 40.135 2.898 ( 25.292 14.602 -15.839) 33.223 2.951 ( 21.222 12.253 -25.341) 35.252 3.477 ( -0.677 -0.391 14.418) 14.439 3.870 ( 9.764 5.637 -4.514) 12.145 3.879 ( 6.158 3.555 -7.242) 10.150 4.139 ( 2.742 1.583 -4.605) 5.588 4.658 ( 23.305 13.455 0.686) 26.919 4.670 ( 22.702 13.107 3.962) 26.512 5.693 ( -8.930 -5.156 -1.245) 10.386 5.769 ( 4.414 2.549 5.751) 7.685 6.049 ( -6.679 -3.856 -2.046) 7.979 6.067 ( -7.733 -4.465 4.867) 10.170 6.253 ( -4.464 -2.577 -10.702) 11.879 6.476 ( -11.078 -6.396 9.442) 15.900 6.488 ( 4.947 2.856 4.441) 7.235 6.753 ( -8.896 -5.136 -4.184) 11.091 7.183 ( 0.200 0.116 4.047) 4.054 7.273 ( -6.827 -3.941 8.694) 11.735 7.338 ( -9.112 -5.261 -6.870) 12.566 7.452 ( -2.564 -1.480 -15.601) 15.880 7.514 ( -7.524 -4.344 8.250) 11.981 7.579 ( 2.879 1.662 -1.436) 3.622 7.790 ( -7.478 -4.317 8.036) 11.796 7.824 ( 6.757 3.901 -19.348) 20.862 8.257 ( -6.982 -4.031 0.569) 8.082 8.364 ( -5.805 -3.351 -2.991) 7.340 8.418 ( -6.523 -3.766 2.771) 8.026 8.532 ( -12.148 -7.013 0.890) 14.055 8.541 ( -5.022 -2.899 0.495) 5.820 8.712 ( -7.258 -4.190 7.934) 11.540 8.971 ( -5.978 -3.452 -7.753) 10.381 9.069 ( -0.779 -0.450 5.473) 5.546 9.141 ( -2.913 -1.682 2.032) 3.929 9.408 ( -4.010 -2.315 3.469) 5.785 9.548 ( -2.041 -1.179 -4.848) 5.391 9.576 ( 2.056 1.187 8.726) 9.044 9.668 ( -3.969 -2.292 -0.097) 4.584 9.802 ( -7.075 -4.085 2.714) 8.609 10.036 ( -8.163 -4.713 -9.763) 13.571 10.199 ( -4.589 -2.649 7.957) 9.560 10.522 ( 5.718 3.301 -5.048) 8.312 10.638 ( 1.955 1.129 -3.832) 4.448 10.735 ( 3.948 2.279 -1.586) 4.827 10.792 ( -3.900 -2.252 6.613) 8.001 10.912 ( -1.760 -1.016 -7.847) 8.105 10.914 ( 5.735 3.311 5.896) 8.867 11.143 ( -4.362 -2.518 -4.954) 7.065 11.391 ( -6.697 -3.867 0.349) 7.741 11.441 ( -4.565 -2.636 -1.603) 5.509 11.466 ( -3.246 -1.874 -3.086) 4.856 11.599 ( 1.323 0.764 2.733) 3.131 11.740 ( 0.968 0.559 0.959) 1.473 12.002 ( 0.835 0.482 1.917) 2.146 12.050 ( -0.593 -0.343 -1.183) 1.367 12.127 ( 1.689 0.975 1.773) 2.636 12.145 ( 2.626 1.516 7.315) 7.918 12.236 ( 3.461 1.998 -2.086) 4.508 12.279 ( 4.298 2.481 -1.869) 5.303 12.714 ( -2.771 -1.600 4.380) 5.424 12.830 ( -5.640 -3.257 -3.894) 7.588 13.017 ( 4.194 2.422 -1.399) 5.041 13.132 ( -0.034 -0.019 -1.729) 1.729 13.433 ( 12.661 7.310 5.550) 15.638 13.445 ( 5.071 2.928 -4.640) 7.471 14.060 ( 3.702 2.137 0.272) 4.283 14.071 ( 6.132 3.540 -0.323) 7.088 15.428 ( -3.651 -2.108 -1.931) 4.637 15.548 ( -3.184 -1.838 1.754) 4.073 16.190 ( -20.015 -11.556 -1.072) 23.137 16.260 ( -13.926 -8.040 1.255) 16.129 16.727 ( 0.288 0.166 0.528) 0.624 16.794 ( 0.109 0.063 0.452) 0.469 17.075 ( -4.453 -2.571 2.040) 5.532 17.224 ( 0.167 0.096 -2.363) 2.371 17.868 ( -9.924 -5.729 -7.318) 13.596 17.899 ( -8.839 -5.103 6.215) 11.949 18.748 ( 13.772 7.951 -4.088) 16.419 18.771 ( 12.078 6.973 4.472) 14.646 19.815 ( 0.730 0.421 -3.217) 3.325 19.875 ( 2.223 1.284 3.173) 4.082 20.323 ( 12.839 7.412 0.695) 14.841 20.528 ( 13.633 7.871 -0.646) 15.755 21.843 ( 9.826 5.673 9.111) 14.551 21.880 ( 9.784 5.649 -8.820) 14.332 23.225 ( -6.116 -3.531 3.344) 7.814 23.287 ( -3.564 -2.058 -2.008) 4.580 23.338 ( -6.768 -3.907 -3.759) 8.672 23.361 ( -5.087 -2.937 2.135) 6.249 ======================= Grid point 274 (47/58) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 21.203 12.241 -1.643) 24.538 3.181 ( 18.961 10.947 25.926) 33.934 3.414 ( 17.892 10.330 -21.198) 29.601 3.435 ( 16.793 9.695 3.016) 19.623 3.530 ( 8.776 5.067 -3.737) 10.801 3.968 ( 0.401 0.232 -0.858) 0.975 3.976 ( 0.465 0.269 -0.087) 0.544 4.186 ( 1.172 0.677 -1.206) 1.813 4.867 ( -0.743 -0.429 -8.140) 8.185 4.999 ( 2.754 1.590 10.881) 11.336 5.489 ( -8.227 -4.750 -6.497) 11.509 5.823 ( -11.967 -6.909 4.069) 14.405 5.895 ( -5.386 -3.109 -0.850) 6.277 6.047 ( 8.750 5.052 5.522) 11.514 6.128 ( -12.886 -7.440 5.336) 15.807 6.164 ( -1.989 -1.148 -6.637) 7.023 6.546 ( -7.454 -4.304 1.271) 8.701 6.722 ( 14.054 8.114 -0.448) 16.235 6.987 ( -16.543 -9.551 -1.369) 19.152 7.160 ( 0.398 0.230 -1.166) 1.253 7.258 ( -4.633 -2.675 -0.952) 5.434 7.318 ( 4.370 2.523 2.116) 5.471 7.530 ( 2.635 1.521 -5.298) 6.110 7.595 ( -1.796 -1.037 1.405) 2.505 7.719 ( 0.683 0.394 4.301) 4.373 7.995 ( 4.495 2.595 -8.458) 9.924 8.100 ( -6.203 -3.581 2.192) 7.490 8.134 ( -8.100 -4.676 -3.010) 9.825 8.265 ( -5.843 -3.374 1.880) 7.004 8.421 ( 0.313 0.181 -1.825) 1.861 8.534 ( 3.748 2.164 -1.824) 4.696 8.610 ( -1.961 -1.132 7.356) 7.697 8.856 ( -4.365 -2.520 -3.502) 6.137 9.015 ( -4.813 -2.779 4.246) 6.994 9.117 ( 0.214 0.123 -5.021) 5.028 9.280 ( -5.768 -3.330 9.026) 11.217 9.484 ( -1.871 -1.080 -6.667) 7.009 9.584 ( -3.571 -2.062 3.384) 5.334 9.637 ( -1.242 -0.717 6.831) 6.980 9.650 ( -1.559 -0.900 -0.416) 1.847 9.858 ( -7.194 -4.154 -2.854) 8.784 10.093 ( -4.745 -2.740 1.480) 5.676 10.642 ( 0.801 0.462 -3.800) 3.911 10.675 ( 3.080 1.778 -8.219) 8.956 10.679 ( -5.408 -3.122 -0.042) 6.245 10.757 ( 2.257 1.303 3.036) 4.001 10.935 ( 0.965 0.557 2.717) 2.936 11.068 ( -1.492 -0.861 -3.457) 3.863 11.143 ( 9.926 5.731 3.420) 11.961 11.213 ( -4.446 -2.567 1.681) 5.402 11.376 ( -1.636 -0.944 1.957) 2.720 11.419 ( -1.220 -0.704 -1.942) 2.399 11.564 ( -3.426 -1.978 -6.855) 7.914 11.688 ( -5.466 -3.156 3.456) 7.195 12.026 ( 1.857 1.072 -4.020) 4.557 12.031 ( -0.429 -0.248 1.929) 1.992 12.171 ( 1.957 1.130 7.245) 7.589 12.197 ( 1.434 0.828 -0.859) 1.865 12.311 ( 2.421 1.398 -0.755) 2.896 12.349 ( 1.421 0.821 1.101) 1.976 12.682 ( -1.027 -0.593 -0.783) 1.421 12.718 ( -3.886 -2.244 0.359) 4.501 13.124 ( 0.943 0.545 -3.392) 3.562 13.143 ( 5.694 3.287 3.703) 7.546 13.544 ( 3.473 2.005 -4.994) 6.405 13.668 ( 6.060 3.499 3.309) 7.740 14.149 ( 4.111 2.374 1.350) 4.935 14.208 ( 5.221 3.014 -1.812) 6.295 15.310 ( -5.016 -2.896 -0.145) 5.794 15.414 ( -7.078 -4.086 0.795) 8.211 15.795 ( -12.947 -7.475 -0.850) 14.974 15.924 ( -14.091 -8.135 1.149) 16.311 16.773 ( 2.914 1.682 -0.038) 3.365 16.824 ( 1.976 1.141 0.270) 2.298 17.047 ( 1.792 1.034 -0.666) 2.174 17.236 ( 0.374 0.216 1.783) 1.835 17.653 ( -8.099 -4.676 -7.977) 12.292 17.710 ( -7.317 -4.225 5.752) 10.221 19.060 ( 12.063 6.965 6.592) 15.410 19.074 ( 13.379 7.724 -6.146) 16.626 19.800 ( -2.042 -1.179 -5.831) 6.290 19.880 ( -1.989 -1.149 6.314) 6.719 20.613 ( 11.546 6.666 -0.322) 13.336 20.797 ( 8.779 5.069 -0.308) 10.142 22.016 ( 5.461 3.153 5.651) 8.467 22.044 ( 4.771 2.755 -5.627) 7.875 23.060 ( -7.248 -4.185 7.419) 11.184 23.131 ( -8.193 -4.730 -7.936) 12.348 23.251 ( -1.695 -0.979 0.740) 2.093 23.271 ( -2.549 -1.472 -0.146) 2.947 ======================= Grid point 276 (48/58) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( 16.639 9.607 -3.820) 19.589 3.471 ( 2.386 1.377 11.624) 11.946 3.694 ( 13.179 7.609 8.535) 17.448 3.728 ( 7.662 4.423 -17.226) 19.365 3.876 ( -4.817 -2.781 4.441) 7.117 3.907 ( 12.431 7.177 -0.604) 14.367 3.923 ( -4.744 -2.739 0.905) 5.552 4.141 ( -6.123 -3.535 -3.393) 7.842 4.843 ( 0.878 0.507 -8.306) 8.368 4.923 ( -5.064 -2.923 8.588) 10.389 5.317 ( -3.475 -2.006 0.422) 4.035 5.455 ( -14.305 -8.259 -2.401) 16.691 5.856 ( 1.749 1.010 -3.424) 3.976 5.940 ( -4.750 -2.742 6.561) 8.551 6.164 ( 1.339 0.773 0.288) 1.573 6.175 ( 1.708 0.986 0.108) 1.975 6.435 ( -0.335 -0.194 6.129) 6.141 6.597 ( -13.120 -7.575 -9.229) 17.739 7.091 ( 13.024 7.519 1.198) 15.086 7.188 ( 0.525 0.303 -1.250) 1.389 7.221 ( 1.086 0.627 -1.104) 1.671 7.372 ( -4.853 -2.802 0.368) 5.616 7.565 ( 1.625 0.938 6.339) 6.611 7.581 ( 1.088 0.628 -3.266) 3.499 7.773 ( 2.901 1.675 -2.935) 4.454 7.867 ( -6.535 -3.773 4.683) 8.882 8.044 ( -0.015 -0.009 -4.138) 4.138 8.061 ( -0.785 -0.453 0.234) 0.936 8.337 ( 5.663 3.269 5.578) 8.595 8.405 ( -1.290 -0.745 -5.616) 5.810 8.630 ( 4.732 2.732 -2.695) 6.093 8.647 ( 4.978 2.874 -0.758) 5.798 8.757 ( -4.315 -2.492 -0.426) 5.001 8.829 ( -10.051 -5.803 4.883) 12.592 9.134 ( 1.255 0.725 -10.748) 10.845 9.181 ( -2.850 -1.645 13.139) 13.545 9.493 ( 3.046 1.759 -3.713) 5.114 9.529 ( -0.803 -0.464 5.139) 5.223 9.545 ( -2.452 -1.416 -5.761) 6.419 9.620 ( -6.260 -3.614 -0.169) 7.231 9.801 ( 4.301 2.483 7.160) 8.714 9.951 ( -7.219 -4.168 -3.437) 9.016 10.592 ( -1.000 -0.577 -2.108) 2.403 10.630 ( -3.320 -1.917 -1.001) 3.963 10.701 ( 3.664 2.115 1.032) 4.355 10.783 ( -2.760 -1.594 -2.759) 4.215 11.025 ( 6.607 3.814 8.791) 11.640 11.065 ( 0.880 0.508 -6.608) 6.686 11.170 ( -0.332 -0.192 6.868) 6.879 11.251 ( -2.704 -1.561 -5.396) 6.235 11.376 ( 1.153 0.666 1.904) 2.324 11.392 ( -0.596 -0.344 0.029) 0.689 11.513 ( 0.451 0.260 -8.190) 8.207 11.563 ( -3.863 -2.230 4.719) 6.494 12.035 ( 0.685 0.396 8.022) 8.060 12.051 ( -0.165 -0.095 -9.126) 9.128 12.207 ( 1.022 0.590 7.513) 7.605 12.217 ( 0.277 0.160 -6.341) 6.349 12.353 ( 1.181 0.682 -2.347) 2.714 12.362 ( 0.172 0.099 4.429) 4.434 12.648 ( -1.336 -0.771 -2.892) 3.278 12.650 ( -1.691 -0.976 2.454) 3.136 13.184 ( 3.261 1.883 -3.987) 5.485 13.226 ( 0.613 0.354 4.739) 4.792 13.629 ( 4.074 2.352 -3.241) 5.712 13.710 ( -1.823 -1.052 1.923) 2.851 14.249 ( 3.863 2.230 2.814) 5.274 14.289 ( 1.042 0.601 -3.252) 3.468 15.234 ( -1.025 -0.592 1.206) 1.690 15.273 ( -4.247 -2.452 -0.616) 4.943 15.601 ( -3.259 -1.882 -0.482) 3.794 15.655 ( -7.709 -4.451 0.725) 8.932 16.837 ( 2.191 1.265 0.747) 2.637 16.859 ( 0.510 0.294 -0.628) 0.861 17.130 ( 4.478 2.585 -1.835) 5.486 17.219 ( -2.379 -1.373 2.465) 3.691 17.524 ( -2.008 -1.160 -5.820) 6.265 17.565 ( -4.701 -2.714 4.612) 7.123 19.302 ( 7.518 4.340 7.585) 11.528 19.326 ( 6.464 3.732 -7.406) 10.515 19.742 ( -1.510 -0.872 -7.992) 8.180 19.792 ( -4.698 -2.712 8.290) 9.907 20.838 ( 7.008 4.046 -0.635) 8.117 20.914 ( 0.869 0.502 0.244) 1.033 22.108 ( 2.268 1.309 3.332) 4.238 22.117 ( 1.454 0.840 -3.507) 3.888 22.935 ( -2.416 -1.395 10.942) 11.292 22.968 ( -4.918 -2.840 -10.881) 12.274 23.228 ( -0.379 -0.219 1.997) 2.044 23.233 ( -0.855 -0.494 -1.818) 2.069 ======================= Grid point 290 (49/58) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 29.112 13.284 -20.946) 38.245 1.873 ( -3.052 31.854 20.946) 38.245 2.237 ( 14.032 20.125 -32.955) 41.085 2.237 ( 10.413 22.214 32.955) 41.085 3.395 ( 9.528 37.798 -32.251) 50.593 3.395 ( 27.970 27.151 32.251) 50.593 3.659 ( 8.137 -4.049 -16.484) 18.824 3.659 ( -7.575 5.022 16.484) 18.824 4.097 ( 1.672 11.200 -10.815) 15.659 4.097 ( 8.864 7.048 10.815) 15.659 5.909 ( -4.980 -6.287 -2.093) 8.289 5.909 ( -2.955 -7.456 2.093) 8.289 6.291 ( -3.889 -4.455 -3.894) 7.080 6.291 ( -1.914 -5.595 3.894) 7.080 6.362 ( -3.577 -5.319 -7.857) 10.140 6.362 ( -2.818 -5.758 7.857) 10.140 6.733 ( 5.338 1.785 -9.848) 11.342 6.733 ( -1.123 5.515 9.848) 11.342 7.287 ( 2.153 -4.910 -4.932) 7.285 7.287 ( -5.328 -0.590 4.932) 7.285 7.447 ( 3.240 1.513 -5.391) 6.469 7.447 ( -0.310 3.562 5.391) 6.469 7.643 ( 2.141 0.644 -24.221) 24.324 7.643 ( -0.513 2.176 24.221) 24.324 7.936 ( -14.325 -8.923 -8.147) 18.741 7.936 ( -0.565 -16.867 8.147) 18.741 8.502 ( -2.609 -4.625 -4.873) 7.207 8.502 ( -2.701 -4.572 4.873) 7.207 8.697 ( 1.250 -0.490 -3.979) 4.200 8.697 ( -1.049 0.837 3.979) 4.200 8.964 ( -6.589 -16.013 -1.630) 17.392 8.964 ( -10.573 -13.713 1.630) 17.392 9.226 ( -5.610 -13.153 -4.247) 14.917 9.226 ( -8.586 -11.435 4.247) 14.917 9.369 ( 3.020 -10.990 -4.173) 12.137 9.369 ( -11.027 -2.879 4.173) 12.137 9.481 ( -0.347 1.398 -4.340) 4.573 9.481 ( 1.384 0.399 4.340) 4.573 10.000 ( -0.668 -4.709 -7.581) 8.949 10.000 ( -3.744 -2.933 7.581) 8.949 10.368 ( -6.505 -1.482 -4.778) 8.206 10.368 ( 1.969 -6.374 4.778) 8.206 10.405 ( -7.588 -4.408 -5.694) 10.461 10.405 ( -0.023 -8.776 5.694) 10.461 10.778 ( -0.532 4.590 -5.321) 7.048 10.778 ( 4.241 1.834 5.321) 7.048 11.054 ( -8.846 4.074 -7.956) 12.575 11.054 ( 7.951 -5.623 7.956) 12.575 11.147 ( 0.835 -5.743 -9.499) 11.132 11.147 ( -5.392 -2.148 9.499) 11.132 11.510 ( -1.459 7.939 -7.555) 11.056 11.510 ( 7.605 2.706 7.555) 11.056 11.731 ( 11.391 2.112 -1.265) 11.654 11.731 ( -3.866 10.921 1.265) 11.654 11.930 ( -5.062 1.887 -2.601) 5.996 11.930 ( 4.165 -3.440 2.601) 5.996 12.062 ( -0.229 -2.945 -3.785) 4.801 12.062 ( -2.436 -1.671 3.785) 4.801 12.276 ( 0.728 -0.010 -3.306) 3.385 12.276 ( -0.372 0.625 3.306) 3.385 12.801 ( 4.411 10.446 -2.139) 11.539 12.801 ( 6.841 9.043 2.139) 11.539 13.017 ( 0.209 -5.636 -7.997) 9.785 13.017 ( -4.985 -2.637 7.997) 9.785 13.307 ( 1.203 -5.902 -5.492) 8.151 13.307 ( -5.713 -1.909 5.492) 8.151 13.918 ( 1.648 3.978 -1.462) 4.548 13.918 ( 2.622 3.416 1.462) 4.548 15.429 ( 5.371 7.348 -7.771) 11.968 15.429 ( 3.678 8.326 7.771) 11.968 16.681 ( -9.041 -10.622 -3.162) 14.303 16.681 ( -4.679 -13.141 3.162) 14.303 16.808 ( 1.520 -3.009 -1.185) 3.574 16.808 ( -3.366 -0.188 1.185) 3.574 17.386 ( -6.147 -12.738 -10.736) 17.757 17.386 ( -7.958 -11.693 10.736) 17.757 18.199 ( -6.959 -10.911 -2.792) 13.239 18.199 ( -5.970 -11.482 2.792) 13.239 18.367 ( 1.070 6.668 -2.961) 7.374 18.367 ( 5.240 4.261 2.961) 7.374 19.757 ( -0.669 4.791 -1.121) 4.966 19.757 ( 4.484 1.816 1.121) 4.966 20.057 ( 13.039 13.232 -0.508) 18.584 20.057 ( 4.940 17.908 0.508) 18.584 21.392 ( 14.458 22.595 -15.733) 31.098 21.392 ( 12.339 23.819 15.733) 31.098 23.377 ( -1.748 -3.975 -2.006) 4.783 23.377 ( -2.569 -3.501 2.006) 4.783 23.507 ( -2.259 -3.831 -1.673) 4.752 23.507 ( -2.188 -3.872 1.673) 4.752 ======================= Grid point 292 (50/58) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 7.934 24.549 13.261) 29.008 2.501 ( 27.293 8.261 -15.155) 32.293 2.638 ( 12.598 21.859 25.276) 35.713 2.741 ( 20.760 18.129 -23.002) 35.899 3.552 ( -5.498 3.967 15.903) 17.288 3.726 ( 9.520 -2.392 -12.294) 15.732 3.888 ( 3.696 21.061 -8.420) 22.980 4.081 ( 11.157 4.643 -0.396) 12.091 4.428 ( 21.056 24.363 7.480) 33.058 4.452 ( 18.335 18.907 -1.560) 26.384 5.760 ( -3.680 -3.933 1.763) 5.667 5.766 ( -5.320 -6.248 0.137) 8.207 6.127 ( -8.323 -5.146 0.004) 9.786 6.168 ( -5.655 -2.965 0.975) 6.459 6.251 ( -2.193 -6.725 -7.722) 10.472 6.316 ( 4.012 -7.628 6.109) 10.564 6.695 ( -7.476 4.474 6.555) 10.904 6.806 ( -0.122 -2.983 -5.054) 5.870 7.178 ( -3.334 -2.499 5.707) 7.066 7.258 ( 0.732 -9.954 -5.852) 11.570 7.388 ( -8.129 -2.458 1.409) 8.609 7.502 ( 1.385 -6.669 -1.257) 6.926 7.587 ( -10.840 -4.146 -9.526) 15.015 7.625 ( -3.155 1.957 16.844) 17.248 7.729 ( 4.472 -0.175 -14.918) 15.575 7.779 ( 0.866 -8.444 0.824) 8.528 8.370 ( -7.807 -2.532 1.842) 8.412 8.422 ( -3.313 -2.912 -4.967) 6.643 8.572 ( -11.662 -3.681 3.991) 12.865 8.593 ( -8.859 -8.133 1.536) 12.124 8.644 ( -5.998 -4.279 -2.592) 7.811 8.760 ( -2.246 -10.742 3.177) 11.425 8.951 ( -5.744 -10.125 2.391) 11.884 9.016 ( -2.241 -12.652 -3.039) 13.203 9.221 ( -7.654 2.001 3.518) 8.658 9.365 ( 2.659 -2.369 1.746) 3.966 9.494 ( 3.531 -3.029 -5.365) 7.101 9.542 ( 4.910 -4.266 6.219) 8.999 9.838 ( -12.833 4.836 -2.437) 13.929 9.985 ( -4.241 2.131 5.866) 7.546 10.174 ( -10.415 -1.486 -10.068) 14.562 10.240 ( -7.016 0.315 0.530) 7.043 10.355 ( 7.047 -6.593 5.405) 11.061 10.508 ( 11.997 -6.603 -1.337) 13.759 10.763 ( -6.223 10.163 -0.731) 11.939 10.894 ( 1.160 0.675 0.952) 1.645 10.908 ( -5.151 -3.613 6.525) 9.064 10.958 ( -3.381 0.882 -8.059) 8.784 11.145 ( 2.277 -3.126 -4.244) 5.742 11.216 ( 11.174 -9.012 3.529) 14.783 11.473 ( -5.894 2.415 -4.106) 7.578 11.573 ( -1.075 -1.133 -0.317) 1.593 11.725 ( -10.180 -2.534 1.794) 10.643 11.765 ( -4.272 9.457 -0.808) 10.409 11.906 ( 5.571 -9.962 1.963) 11.581 12.006 ( 10.077 -0.826 2.400) 10.392 12.049 ( -0.991 3.116 -1.731) 3.700 12.112 ( 3.404 -0.055 4.372) 5.541 12.274 ( -5.077 10.464 -0.771) 11.656 12.404 ( 3.517 10.342 -1.665) 11.050 12.739 ( -4.535 -4.546 1.685) 6.639 12.825 ( 2.963 -6.743 -0.407) 7.376 13.032 ( -4.922 8.104 -3.509) 10.110 13.201 ( -3.219 6.862 0.005) 7.579 13.245 ( 12.626 0.673 4.554) 13.439 13.349 ( 7.302 -0.810 -2.992) 7.932 14.000 ( 3.405 3.476 -1.160) 5.002 14.024 ( 4.886 3.321 1.275) 6.044 15.439 ( -4.460 -2.202 -6.698) 8.343 15.539 ( 3.440 -3.422 7.668) 9.074 16.324 ( -15.715 -15.097 -5.523) 22.481 16.392 ( -9.989 -14.451 3.917) 17.999 16.757 ( -2.745 1.632 1.850) 3.691 16.828 ( 2.394 1.106 -2.083) 3.360 17.161 ( -10.284 -1.755 7.434) 12.810 17.260 ( -1.579 -1.701 -6.691) 7.083 17.955 ( -8.146 -8.791 -6.138) 13.465 17.967 ( -7.060 -9.183 5.893) 12.996 18.541 ( 11.511 4.540 -1.587) 12.476 18.575 ( 13.218 2.781 1.755) 13.621 19.790 ( -0.201 3.176 -1.863) 3.688 19.862 ( 4.462 0.978 2.123) 5.037 20.340 ( 4.978 21.050 -0.501) 21.636 20.441 ( 12.440 15.592 0.263) 19.948 21.748 ( 8.998 10.483 11.023) 17.674 21.769 ( 10.445 9.515 -10.822) 17.797 23.276 ( -4.520 -4.275 1.691) 6.447 23.300 ( -2.095 -4.583 -1.244) 5.190 23.394 ( -4.971 -5.465 -2.321) 7.744 23.402 ( -4.036 -5.239 1.676) 6.823 ======================= Grid point 294 (51/58) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 14.996 16.240 6.764) 23.117 2.985 ( 20.107 8.156 1.228) 21.733 3.142 ( 18.997 19.386 1.457) 27.181 3.285 ( 18.609 17.145 -10.145) 27.261 3.536 ( -1.005 6.008 7.483) 9.649 3.854 ( 7.449 -3.993 -4.558) 9.602 4.041 ( -0.905 8.764 -1.667) 8.967 4.204 ( 1.872 4.281 -0.898) 4.758 4.844 ( 4.802 3.541 -6.497) 8.821 4.899 ( 11.293 6.824 7.688) 15.271 5.593 ( -8.062 -3.871 -6.555) 11.089 5.767 ( 4.637 -5.688 5.135) 8.956 5.930 ( -7.200 -6.399 4.819) 10.771 6.069 ( -1.797 -1.948 0.766) 2.759 6.131 ( -3.951 -7.354 1.825) 8.545 6.259 ( -4.776 -6.935 -4.163) 9.394 6.571 ( -7.371 -3.196 -0.803) 8.074 6.740 ( 0.195 7.784 2.108) 8.067 7.055 ( -5.402 -13.910 5.831) 16.021 7.121 ( -5.091 -9.222 -3.695) 11.163 7.248 ( 4.333 -0.392 1.491) 4.599 7.387 ( -9.854 -2.130 -2.308) 10.342 7.445 ( 2.496 -6.000 -6.643) 9.293 7.592 ( 1.437 -4.516 4.133) 6.288 7.765 ( -1.441 7.007 2.758) 7.667 7.908 ( 8.146 5.677 -11.661) 15.315 8.185 ( -7.308 -2.701 2.095) 8.067 8.298 ( -8.957 -2.989 -1.674) 9.590 8.379 ( -11.507 -6.725 1.206) 13.383 8.443 ( -2.947 1.040 0.847) 3.238 8.489 ( -0.433 0.747 -1.281) 1.545 8.674 ( -2.198 0.257 6.183) 6.567 8.839 ( 0.894 -7.184 -0.130) 7.241 8.887 ( 1.467 -12.899 -4.933) 13.888 9.122 ( -4.032 -0.050 7.059) 8.130 9.385 ( -0.432 0.199 2.900) 2.939 9.451 ( 2.146 -13.699 -1.706) 13.970 9.590 ( 1.539 -1.894 -3.958) 4.650 9.704 ( -9.183 10.460 4.748) 14.706 9.877 ( -11.493 6.766 4.093) 13.951 9.987 ( -10.522 1.083 -7.925) 13.217 10.129 ( -4.720 -2.972 3.691) 6.689 10.490 ( 11.555 -4.017 1.344) 12.307 10.593 ( 4.282 -5.594 -1.838) 7.281 10.728 ( -1.657 2.841 -1.476) 3.605 10.842 ( 2.339 -5.611 -1.840) 6.351 10.921 ( -3.930 8.936 -4.105) 10.590 11.042 ( 4.184 5.111 2.497) 7.061 11.116 ( -1.909 0.375 -1.220) 2.297 11.253 ( 1.972 -3.838 2.875) 5.185 11.389 ( -4.743 -0.578 -1.830) 5.116 11.506 ( -5.835 0.073 1.064) 5.932 11.583 ( -2.295 -1.062 -3.352) 4.199 11.736 ( -5.269 -1.145 0.122) 5.394 11.905 ( 5.886 -7.766 1.324) 9.834 12.055 ( 0.951 0.637 -3.638) 3.814 12.126 ( 3.015 0.890 3.592) 4.773 12.193 ( 3.454 2.351 6.971) 8.128 12.289 ( -3.035 6.743 -1.031) 7.466 12.511 ( -4.444 12.177 -0.750) 12.984 12.662 ( 0.158 -3.818 -1.502) 4.106 12.846 ( -3.004 5.264 0.729) 6.105 13.037 ( 4.091 0.406 -0.225) 4.117 13.123 ( -2.295 -2.441 -0.611) 3.406 13.469 ( 5.836 -0.400 -4.706) 7.508 13.533 ( 11.815 2.586 4.083) 12.765 14.094 ( 3.955 2.388 0.211) 4.624 14.153 ( 5.411 3.672 -0.546) 6.562 15.278 ( -4.656 -9.806 -1.948) 11.029 15.489 ( -2.266 -8.380 4.816) 9.928 15.889 ( -14.691 -13.975 -6.586) 21.319 16.057 ( -11.963 -13.526 3.960) 18.486 16.760 ( -0.108 4.041 1.609) 4.350 16.907 ( -0.742 7.942 -1.314) 8.084 17.024 ( -1.640 -1.097 0.614) 2.067 17.246 ( 0.314 -0.149 0.164) 0.385 17.740 ( -7.712 -6.202 -8.037) 12.749 17.773 ( -6.129 -6.817 6.529) 11.254 18.820 ( 15.168 2.809 1.365) 15.486 18.870 ( 16.166 2.953 -0.904) 16.458 19.798 ( -1.181 0.255 -3.363) 3.574 19.909 ( 0.476 -0.912 3.961) 4.092 20.643 ( 4.220 21.998 -1.648) 22.459 20.788 ( 7.497 17.068 0.916) 18.664 21.950 ( 6.016 4.569 7.382) 10.562 21.979 ( 6.316 3.950 -7.159) 10.332 23.117 ( -6.582 -7.518 4.830) 11.098 23.176 ( -5.179 -9.096 -5.227) 11.699 23.272 ( -2.777 -2.359 0.220) 3.651 23.294 ( -2.683 -3.349 0.064) 4.292 ======================= Grid point 296 (52/58) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 17.916 10.454 1.898) 20.830 3.375 ( 14.045 4.984 5.333) 15.828 3.548 ( 5.864 3.204 -4.846) 8.254 3.638 ( 13.968 15.899 3.107) 21.390 3.779 ( 11.338 11.856 -3.952) 16.874 3.873 ( 0.432 -4.770 1.175) 4.931 4.057 ( -5.152 5.959 -0.150) 7.879 4.249 ( -3.151 4.842 -1.645) 6.006 4.837 ( -1.097 -2.033 -8.339) 8.653 4.962 ( -1.872 -3.582 9.051) 9.912 5.392 ( -8.913 -5.301 -2.218) 10.604 5.641 ( -13.912 -9.940 -2.001) 17.215 5.710 ( 0.331 -10.832 -0.718) 10.860 5.890 ( -2.147 -15.167 6.112) 16.492 6.070 ( 3.519 -4.573 0.368) 5.782 6.200 ( -0.950 -2.336 -2.706) 3.699 6.432 ( -2.039 -4.141 3.410) 5.739 6.722 ( -8.688 -15.735 -2.101) 18.097 7.007 ( 8.715 15.798 -0.212) 18.044 7.088 ( 4.145 -2.534 0.034) 4.859 7.236 ( -4.284 -2.256 -0.530) 4.871 7.407 ( 4.308 3.411 -1.461) 5.686 7.434 ( 5.127 -4.181 0.293) 6.622 7.598 ( 3.487 -4.358 -2.200) 5.999 7.786 ( -3.994 7.368 3.032) 8.912 7.999 ( -11.768 -3.133 2.842) 12.505 8.106 ( 1.381 4.743 -1.082) 5.057 8.124 ( -3.215 6.683 -6.126) 9.619 8.266 ( 0.959 2.376 3.183) 4.086 8.412 ( -0.927 -1.625 -0.796) 2.033 8.556 ( 4.424 1.896 0.036) 4.813 8.684 ( -0.215 5.112 3.483) 6.189 8.763 ( 0.085 -9.562 -3.286) 10.111 8.804 ( -1.093 -5.243 -3.768) 6.548 9.086 ( 1.316 -1.875 11.285) 11.515 9.288 ( -5.319 -4.915 -4.523) 8.539 9.433 ( 4.902 -3.476 -1.403) 6.171 9.534 ( -2.529 -1.195 0.136) 2.800 9.684 ( -6.003 4.174 0.102) 7.312 9.751 ( -9.457 3.352 0.981) 10.081 9.856 ( -7.639 8.861 -0.728) 11.722 10.009 ( -5.179 -3.479 1.564) 6.432 10.586 ( 2.432 -2.596 4.631) 5.840 10.624 ( 4.189 0.128 -5.200) 6.679 10.744 ( -6.151 1.860 -2.613) 6.937 10.806 ( 1.477 1.760 -0.616) 2.379 10.980 ( 3.287 4.099 1.642) 5.505 11.092 ( -0.157 1.140 -1.842) 2.172 11.125 ( 1.258 0.578 0.233) 1.404 11.290 ( -0.456 2.447 -0.109) 2.492 11.341 ( 0.996 -1.620 1.414) 2.370 11.420 ( -2.606 0.197 3.984) 4.765 11.528 ( -3.105 -1.249 -7.964) 8.639 11.584 ( -5.382 -6.722 2.261) 8.903 11.951 ( 5.391 -3.715 2.180) 6.901 12.063 ( -0.254 -1.290 -3.460) 3.702 12.201 ( 1.894 4.112 3.933) 5.997 12.242 ( -0.436 3.413 -0.247) 3.449 12.328 ( 1.702 4.220 0.321) 4.562 12.511 ( -7.701 9.453 1.505) 12.285 12.647 ( 0.375 -0.615 0.278) 0.772 12.780 ( -8.509 4.091 -1.950) 9.641 13.116 ( 3.981 -1.174 -2.688) 4.945 13.156 ( 6.249 -1.449 4.309) 7.728 13.550 ( 5.272 -1.321 -4.677) 7.171 13.672 ( 3.940 -2.754 2.789) 5.558 14.193 ( 4.570 2.504 1.507) 5.425 14.267 ( 3.107 2.557 -2.347) 4.658 15.137 ( 1.539 -10.822 1.468) 11.029 15.311 ( -5.631 -10.694 0.376) 12.092 15.595 ( -4.117 -9.692 -2.705) 10.872 15.733 ( -9.348 -11.003 1.906) 14.563 16.822 ( 1.434 4.616 0.707) 4.885 16.909 ( -3.445 4.021 1.534) 5.513 17.100 ( 4.567 4.570 -4.597) 7.929 17.252 ( -0.100 0.030 3.400) 3.401 17.569 ( -5.723 -3.125 -6.870) 9.472 17.613 ( -5.149 -4.876 5.330) 8.871 19.101 ( 13.752 0.836 3.627) 14.247 19.160 ( 13.325 0.545 -3.347) 13.749 19.757 ( -2.036 -1.450 -4.944) 5.540 19.858 ( -3.562 -3.254 5.532) 7.340 20.912 ( 0.845 21.009 -2.470) 21.171 21.022 ( -1.053 16.566 1.746) 16.691 22.070 ( 3.985 2.174 4.555) 6.431 22.089 ( 3.251 1.697 -4.609) 5.890 22.932 ( -3.634 -8.638 9.081) 13.049 22.982 ( -4.430 -10.096 -9.253) 14.393 23.228 ( -0.658 -1.298 2.535) 2.923 23.237 ( -1.014 -1.795 -2.180) 3.001 ======================= Grid point 298 (53/58) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( -6.434 -6.591 -0.211) 9.213 3.403 ( 8.925 2.276 0.211) 9.213 3.739 ( 9.285 0.652 -10.213) 13.818 3.739 ( -5.207 -7.715 10.213) 13.818 3.899 ( -5.454 1.577 -2.181) 6.082 3.899 ( 1.361 5.512 2.181) 6.082 4.147 ( -11.862 4.655 -3.034) 13.099 4.147 ( 1.899 12.601 3.034) 13.099 4.864 ( 4.505 1.812 -8.335) 9.646 4.864 ( -3.821 -2.996 8.335) 9.646 5.333 ( -6.698 -3.653 -2.919) 8.168 5.333 ( 6.512 3.974 2.919) 8.168 5.736 ( 10.559 -9.870 -4.500) 15.138 5.736 ( 3.268 -14.079 4.500) 15.138 6.123 ( -0.424 -7.598 -2.827) 8.118 6.123 ( 6.792 -3.432 2.827) 8.118 6.473 ( -4.873 -6.999 -6.552) 10.755 6.473 ( 8.498 0.721 6.552) 10.755 7.148 ( -1.725 -3.373 -1.457) 4.059 7.148 ( 3.784 -0.193 1.457) 4.059 7.295 ( -8.553 -3.584 -3.312) 9.848 7.295 ( 7.381 5.615 3.312) 9.848 7.575 ( -1.971 -4.502 -2.881) 5.697 7.575 ( 4.885 -0.544 2.881) 5.697 7.818 ( -3.755 2.294 -7.052) 8.313 7.818 ( -0.110 4.399 7.052) 8.313 8.145 ( -5.892 8.086 -4.916) 11.147 8.145 ( -4.056 9.146 4.916) 11.147 8.359 ( -1.328 -3.378 -6.937) 7.829 8.359 ( 3.589 -0.539 6.937) 7.829 8.660 ( -3.224 -4.828 -2.493) 6.318 8.660 ( 5.793 0.378 2.493) 6.318 8.740 ( -1.452 -0.716 -4.714) 4.985 8.740 ( 1.346 0.900 4.714) 4.985 9.149 ( -4.810 -2.739 -11.311) 12.592 9.149 ( 4.777 2.796 11.311) 12.592 9.507 ( 1.122 -4.356 -0.771) 4.564 9.507 ( 3.211 -3.150 0.771) 4.564 9.628 ( -3.311 5.795 -3.417) 7.498 9.628 ( -3.363 5.765 3.417) 7.498 9.894 ( -5.988 3.623 -1.872) 7.245 9.894 ( -0.144 6.998 1.872) 7.245 10.613 ( -2.857 0.092 -2.405) 3.735 10.613 ( 1.349 2.520 2.405) 3.735 10.770 ( -3.289 0.811 -1.963) 3.915 10.770 ( 0.942 3.254 1.963) 3.915 11.086 ( -2.619 -0.520 -6.454) 6.984 11.086 ( 1.760 2.008 6.454) 6.984 11.196 ( -6.191 -2.950 -5.652) 8.887 11.196 ( 5.650 3.887 5.652) 8.887 11.382 ( -2.654 -2.004 -0.759) 3.411 11.382 ( 3.062 1.296 0.759) 3.411 11.494 ( 2.390 -2.265 -6.655) 7.425 11.494 ( 0.767 -3.202 6.655) 7.425 12.016 ( -0.336 -3.611 -7.882) 8.677 12.016 ( 3.295 -1.515 7.882) 8.677 12.248 ( -2.593 2.627 -3.390) 5.012 12.248 ( -0.979 3.559 3.390) 5.012 12.431 ( -5.890 4.791 -1.850) 7.815 12.431 ( -1.204 7.497 1.850) 7.815 12.681 ( -3.828 2.083 -3.159) 5.382 12.681 ( 0.110 4.357 3.159) 5.382 13.180 ( 3.522 -2.024 -3.506) 5.366 13.180 ( -0.009 -4.062 3.506) 5.366 13.639 ( 3.041 -3.087 -1.456) 4.572 13.639 ( 1.153 -4.177 1.456) 4.572 14.283 ( -2.213 -0.850 -3.255) 4.027 14.283 ( 1.843 1.492 3.255) 4.027 15.142 ( 0.839 -11.159 -1.356) 11.272 15.142 ( 9.244 -6.306 1.356) 11.272 15.550 ( 1.769 -4.863 -7.280) 8.932 15.550 ( 3.327 -3.963 7.280) 8.932 16.882 ( -2.569 2.267 -1.070) 3.589 16.882 ( -0.679 3.358 1.070) 3.589 17.214 ( 1.910 3.430 -4.116) 5.688 17.214 ( -3.926 0.061 4.116) 5.688 17.515 ( 1.730 0.343 -5.258) 5.546 17.515 ( -1.161 -1.327 5.258) 5.546 19.270 ( 1.892 -6.589 -7.626) 10.254 19.270 ( 4.760 -4.933 7.626) 10.254 19.756 ( 1.643 0.322 -9.239) 9.390 19.756 ( -1.101 -1.262 9.239) 9.390 21.066 ( -6.027 16.626 -2.430) 17.851 21.066 ( -11.385 13.533 2.430) 17.851 22.124 ( -0.312 -0.060 -4.667) 4.678 22.124 ( 0.207 0.240 4.667) 4.678 22.865 ( 2.347 -7.125 -11.238) 13.512 22.865 ( 4.997 -5.595 11.238) 13.512 23.218 ( 0.273 -0.905 -3.072) 3.214 23.218 ( 0.647 -0.689 3.072) 3.214 ======================= Grid point 316 (54/58) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 16.774 12.556 -19.678) 28.745 2.690 ( 2.487 20.805 19.678) 28.745 3.152 ( 18.001 21.977 -13.439) 31.426 3.152 ( 10.032 26.577 13.439) 31.426 3.668 ( 8.645 -2.075 -8.262) 12.137 3.668 ( -6.119 6.450 8.262) 12.137 4.159 ( 0.059 7.550 -1.459) 7.690 4.159 ( 6.509 3.826 1.459) 7.690 4.816 ( 5.571 11.246 -6.222) 14.008 4.816 ( 6.954 10.447 6.222) 14.008 5.674 ( -4.910 -2.197 -6.946) 8.785 5.674 ( 0.552 -5.350 6.946) 8.785 6.000 ( -2.519 -11.112 -0.650) 11.413 6.000 ( -8.364 -7.738 0.650) 11.413 6.198 ( 1.352 -5.286 -2.218) 5.890 6.198 ( -5.254 -1.472 2.218) 5.890 6.722 ( -6.218 -2.716 -3.202) 7.503 6.722 ( 0.757 -6.743 3.202) 7.503 7.057 ( -0.927 -9.016 -4.882) 10.295 7.057 ( -7.345 -5.311 4.882) 10.295 7.298 ( 2.013 -8.285 -2.778) 8.967 7.298 ( -8.182 -2.399 2.778) 8.967 7.511 ( -4.564 -4.695 -7.437) 9.909 7.511 ( -1.784 -6.300 7.437) 9.909 7.844 ( 6.660 7.370 -12.554) 16.009 7.844 ( 3.052 9.453 12.554) 16.009 8.290 ( -1.581 -7.026 -5.450) 9.031 8.290 ( -5.294 -4.883 5.450) 9.031 8.471 ( -2.074 -6.052 -2.373) 6.823 8.471 ( -4.204 -4.822 2.373) 6.823 8.612 ( -5.811 0.248 -6.798) 8.946 8.612 ( 3.121 -4.908 6.798) 8.946 8.797 ( -2.543 -5.909 -3.236) 7.201 8.797 ( -3.846 -5.156 3.236) 7.201 9.248 ( 4.306 -8.495 -2.510) 9.849 9.248 ( -9.510 -0.519 2.510) 9.849 9.461 ( 2.661 -4.137 -10.568) 11.656 9.461 ( -4.913 0.236 10.568) 11.656 9.939 ( -6.151 2.023 -4.651) 7.973 9.939 ( 4.828 -4.316 4.651) 7.973 10.218 ( -3.249 2.190 -6.275) 7.398 10.218 ( 3.521 -1.719 6.275) 7.398 10.366 ( 1.569 0.714 -1.236) 2.121 10.366 ( -0.166 1.716 1.236) 2.121 10.764 ( -2.738 -4.723 -4.164) 6.866 10.764 ( -2.721 -4.733 4.164) 6.866 11.055 ( 5.590 6.532 -5.809) 10.376 11.055 ( 2.862 8.107 5.809) 10.376 11.129 ( -2.730 0.967 -4.429) 5.292 11.129 ( 2.203 -1.881 4.429) 5.292 11.496 ( 1.849 -4.746 -1.146) 5.220 11.496 ( -5.034 -0.772 1.146) 5.220 11.705 ( -8.957 -0.207 -1.891) 9.157 11.705 ( 4.299 -7.861 1.891) 9.157 11.926 ( -4.298 2.445 -4.162) 6.463 11.926 ( 4.267 -2.499 4.162) 6.463 12.132 ( 0.347 4.841 -5.208) 7.119 12.132 ( 4.019 2.721 5.208) 7.119 12.493 ( -1.317 4.019 -3.809) 5.692 12.493 ( 4.139 0.869 3.809) 5.692 12.754 ( -5.338 8.080 -5.014) 10.905 12.754 ( 9.667 -0.583 5.014) 10.905 13.126 ( -5.016 -1.790 -2.777) 6.006 13.126 ( 0.958 -5.239 2.777) 6.006 13.391 ( 3.355 6.463 -5.864) 9.349 13.391 ( 3.920 6.137 5.864) 9.349 14.093 ( 2.218 4.773 -1.875) 5.588 14.093 ( 3.025 4.308 1.875) 5.588 15.351 ( -12.109 -5.996 -5.635) 14.641 15.351 ( 0.862 -13.485 5.635) 14.641 16.034 ( -13.306 -15.350 -10.905) 23.056 16.034 ( -6.640 -19.198 10.905) 23.056 16.852 ( 7.482 1.699 -4.571) 8.930 16.852 ( -2.270 7.329 4.571) 8.930 17.166 ( 5.005 -6.602 -3.336) 8.931 17.166 ( -8.220 1.034 3.336) 8.931 17.786 ( -5.173 -7.515 -7.486) 11.802 17.786 ( -3.922 -8.237 7.486) 11.802 18.699 ( 6.338 10.159 -6.343) 13.550 18.699 ( 5.629 10.568 6.343) 13.550 19.853 ( -1.688 0.990 -6.197) 6.499 19.853 ( 1.701 -0.966 6.197) 6.499 20.783 ( 7.921 21.516 -2.273) 23.040 20.783 ( 14.673 17.617 2.273) 23.040 21.925 ( 4.527 6.089 -9.439) 12.111 21.925 ( 3.010 6.965 9.439) 12.111 23.153 ( -4.011 -10.168 -3.520) 11.483 23.153 ( -6.800 -8.558 3.520) 11.483 23.294 ( -1.890 -4.468 -0.093) 4.852 23.294 ( -2.925 -3.870 0.093) 4.852 ======================= Grid point 318 (55/58) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 7.524 16.627 8.955) 20.329 3.117 ( 18.751 7.118 -10.066) 22.441 3.556 ( 2.611 9.528 -3.821) 10.592 3.594 ( 11.220 17.450 9.611) 22.864 3.726 ( 7.389 11.641 -1.633) 13.884 3.783 ( 6.272 0.506 -1.431) 6.453 4.206 ( -3.065 8.011 -1.125) 8.651 4.294 ( 4.087 4.503 0.202) 6.085 4.849 ( -2.793 -1.566 -7.956) 8.576 4.909 ( 2.581 -3.290 7.937) 8.971 5.503 ( -10.220 -7.029 -2.434) 12.640 5.592 ( -2.126 -9.852 -2.162) 10.308 5.777 ( -6.138 -9.170 3.859) 11.690 5.821 ( -6.815 -13.783 4.654) 16.064 6.010 ( -7.174 -7.420 -4.335) 11.194 6.126 ( 0.504 -11.452 -0.211) 11.465 6.459 ( -9.569 -9.004 -2.277) 13.335 6.595 ( -1.629 -20.212 4.308) 20.730 7.060 ( 2.922 11.985 0.205) 12.338 7.076 ( -0.092 4.789 0.816) 4.859 7.264 ( 3.463 0.436 -0.985) 3.626 7.305 ( 4.386 -5.218 -3.436) 7.633 7.374 ( -3.464 1.402 1.559) 4.049 7.476 ( 3.200 -5.606 -0.395) 6.467 7.954 ( -2.728 9.952 -0.965) 10.364 8.055 ( 7.229 6.307 0.471) 9.605 8.185 ( -6.710 1.815 3.273) 7.684 8.247 ( -3.091 2.719 -7.409) 8.476 8.311 ( -1.839 0.094 4.619) 4.972 8.398 ( -0.013 -4.609 -0.731) 4.666 8.567 ( -0.529 3.418 -4.202) 5.442 8.638 ( 2.508 -4.354 5.116) 7.171 8.702 ( -3.206 -1.653 1.082) 3.766 8.793 ( 2.575 0.812 -1.443) 3.061 9.123 ( -4.684 0.453 5.917) 7.561 9.217 ( 2.259 -7.324 -5.211) 9.268 9.338 ( -2.667 -5.271 7.247) 9.350 9.449 ( 3.086 -11.198 -8.423) 14.348 9.838 ( -7.362 -0.470 -0.928) 7.435 9.894 ( -4.145 -3.749 1.156) 5.707 10.138 ( -8.249 11.408 3.869) 14.600 10.229 ( -14.417 13.540 -2.158) 19.896 10.414 ( 12.843 -1.416 3.890) 13.494 10.546 ( 8.347 -0.572 -4.124) 9.328 10.738 ( 3.042 -3.050 0.245) 4.315 10.743 ( 4.689 -0.914 0.337) 4.789 11.053 ( -5.040 0.388 -4.114) 6.517 11.081 ( -0.763 0.373 0.555) 1.015 11.160 ( 0.202 6.206 -3.038) 6.913 11.266 ( 6.899 1.874 4.800) 8.611 11.380 ( -6.621 0.172 2.999) 7.271 11.464 ( -1.155 -3.778 -1.782) 4.334 11.569 ( -5.894 -0.287 -4.036) 7.149 11.678 ( -4.605 -4.845 1.622) 6.878 11.832 ( -0.805 0.232 1.592) 1.799 11.997 ( 5.018 -6.233 -0.547) 8.021 12.212 ( 2.249 6.496 -0.795) 6.920 12.251 ( 4.933 5.053 3.383) 7.830 12.426 ( -6.139 5.911 -0.782) 8.558 12.583 ( 5.229 -2.852 -0.181) 5.959 12.758 ( -6.627 10.814 0.144) 12.684 12.915 ( 0.904 -0.936 -1.548) 2.022 13.032 ( 0.668 -0.409 0.696) 1.048 13.080 ( 0.631 -0.359 1.175) 1.382 13.456 ( 1.781 0.022 -4.313) 4.666 13.540 ( 7.246 -2.066 3.204) 8.188 14.169 ( 2.000 5.217 0.148) 5.589 14.221 ( 5.664 3.381 -0.535) 6.617 15.074 ( -8.353 -10.331 -0.878) 13.315 15.202 ( -0.143 -17.323 2.513) 17.505 15.639 ( -12.691 -11.756 -4.824) 17.960 15.732 ( -6.747 -17.394 3.487) 18.979 16.894 ( -1.858 8.206 3.337) 9.051 17.021 ( 7.241 2.720 -5.110) 9.271 17.046 ( -6.017 2.942 1.196) 6.804 17.190 ( 4.151 -4.504 0.734) 6.169 17.636 ( -5.102 -4.283 -5.733) 8.789 17.646 ( -4.269 -5.361 5.411) 8.732 18.934 ( 9.469 8.846 4.007) 13.563 18.963 ( 11.622 7.281 -3.801) 14.231 19.790 ( -3.764 -2.169 -4.834) 6.499 19.840 ( -0.418 -5.540 5.112) 7.550 21.129 ( 4.078 24.708 -4.145) 25.383 21.183 ( 7.475 21.104 3.709) 22.694 22.025 ( 3.165 2.949 6.385) 7.713 22.040 ( 3.993 2.234 -6.236) 7.735 22.914 ( -7.131 -12.478 6.729) 15.869 22.939 ( -5.467 -14.041 -6.928) 16.584 23.229 ( -1.343 -1.932 3.146) 3.928 23.234 ( -1.113 -2.451 -2.959) 4.000 ======================= Grid point 320 (56/58) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 10.498 10.456 3.468) 15.217 3.430 ( 4.469 1.425 -0.216) 4.696 3.586 ( 4.482 1.153 -9.198) 10.297 3.734 ( -0.807 -5.749 7.116) 9.183 3.911 ( 3.187 7.352 -1.414) 8.137 3.966 ( 1.237 2.862 2.549) 4.027 4.273 ( 0.088 15.573 -0.895) 15.599 4.382 ( -3.927 8.794 -0.533) 9.646 4.808 ( 1.742 -0.227 -6.815) 7.038 4.903 ( -2.239 -2.568 6.243) 7.112 5.278 ( -0.720 -4.977 2.673) 5.695 5.464 ( -10.992 -13.331 -2.353) 17.438 5.501 ( 0.597 -4.107 -7.105) 8.229 5.593 ( -3.429 -10.236 6.011) 12.356 5.938 ( 5.938 -8.361 0.727) 10.280 6.008 ( 1.378 -13.226 -0.529) 13.308 6.301 ( 3.458 -9.863 2.733) 10.803 6.375 ( 0.120 -16.961 -1.660) 17.042 7.120 ( 0.711 4.413 3.251) 5.527 7.190 ( -3.428 -0.198 -1.173) 3.629 7.249 ( 3.645 5.456 -4.203) 7.793 7.331 ( 0.522 -2.613 -0.579) 2.727 7.453 ( 5.512 -2.439 -3.346) 6.894 7.483 ( 3.320 -6.208 5.206) 8.756 7.961 ( -5.565 9.164 -4.820) 11.755 8.008 ( -9.790 6.181 4.893) 12.569 8.252 ( 5.522 7.207 -1.377) 9.183 8.319 ( -0.310 7.907 9.205) 12.139 8.359 ( -1.395 -2.070 -2.640) 3.633 8.382 ( -4.134 11.745 -4.719) 13.315 8.585 ( 0.861 0.443 0.680) 1.183 8.629 ( 3.298 -2.087 -11.129) 11.794 8.684 ( 2.931 -3.946 7.252) 8.761 8.776 ( -6.002 -1.856 3.745) 7.314 9.125 ( 1.896 6.089 8.994) 11.026 9.189 ( 0.353 -3.550 -10.459) 11.050 9.339 ( 7.149 -5.267 5.535) 10.463 9.382 ( 4.042 -11.330 -5.979) 13.433 9.685 ( -4.838 -3.223 1.351) 5.969 9.735 ( -6.884 -5.740 -1.191) 9.042 10.134 ( -8.347 15.582 5.680) 18.567 10.155 ( -11.652 16.630 -4.474) 20.793 10.590 ( 5.648 2.687 6.354) 8.915 10.653 ( 1.858 2.021 -6.517) 7.072 10.752 ( 1.626 -0.809 -2.471) 3.067 10.814 ( 1.071 -1.993 3.070) 3.814 11.040 ( 2.770 1.298 -1.176) 3.277 11.084 ( 2.055 -2.836 -1.349) 3.753 11.193 ( -1.017 5.251 1.271) 5.498 11.294 ( -6.173 0.611 -0.924) 6.272 11.345 ( 1.533 1.747 -0.286) 2.342 11.419 ( 2.115 -2.573 1.178) 3.533 11.472 ( -6.489 -1.389 0.597) 6.663 11.498 ( -5.980 -1.264 -1.225) 6.233 11.888 ( 7.025 -3.373 3.163) 8.410 11.973 ( 0.710 -7.784 -2.005) 8.070 12.309 ( 0.294 7.148 -1.481) 7.306 12.359 ( -4.287 6.747 1.606) 8.153 12.461 ( 5.665 8.045 1.312) 9.927 12.649 ( -3.306 1.229 -4.529) 5.741 12.689 ( -4.091 4.831 5.415) 8.331 12.796 ( -6.465 -1.733 -2.898) 7.293 13.104 ( 3.817 0.857 0.264) 3.921 13.140 ( 1.140 1.123 1.530) 2.214 13.497 ( 6.088 -3.818 -4.383) 8.418 13.569 ( 1.741 -7.297 3.208) 8.159 14.271 ( 2.803 5.576 0.607) 6.270 14.322 ( 0.100 3.342 -1.063) 3.508 14.905 ( 3.982 -11.684 0.413) 12.350 15.001 ( -1.200 -17.517 0.146) 17.558 15.429 ( 0.535 -7.209 0.865) 7.280 15.490 ( -2.738 -11.983 -0.993) 12.332 16.944 ( -1.166 6.434 1.045) 6.622 16.985 ( -4.503 3.740 0.547) 5.879 17.163 ( 5.628 0.465 -3.881) 6.853 17.213 ( 2.212 -3.463 2.123) 4.625 17.531 ( -2.974 -0.981 -4.577) 5.546 17.539 ( -2.966 -2.032 4.653) 5.880 19.163 ( 6.292 5.950 4.944) 9.972 19.191 ( 5.318 4.061 -4.837) 8.257 19.704 ( -0.196 -4.627 -5.826) 7.443 19.743 ( -1.684 -7.622 5.986) 9.837 21.389 ( -4.427 24.686 -5.295) 25.633 21.425 ( -6.308 22.024 5.034) 23.456 22.104 ( 2.970 1.225 3.679) 4.885 22.114 ( 2.235 0.801 -3.686) 4.384 22.704 ( 0.695 -13.931 9.668) 16.971 22.723 ( -0.174 -15.302 -9.672) 18.103 23.202 ( -0.018 -1.156 4.413) 4.562 23.204 ( -0.117 -1.379 -4.320) 4.537 ======================= Grid point 340 (57/58) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 11.507 10.178 -8.407) 17.512 3.289 ( 3.061 15.054 8.407) 17.512 3.646 ( -5.611 1.180 -3.667) 6.806 3.646 ( 3.827 -4.269 3.667) 6.806 3.943 ( 2.585 5.475 -6.041) 8.553 3.943 ( 3.449 4.976 6.041) 8.553 4.410 ( 6.682 10.343 -3.909) 12.919 4.410 ( 5.616 10.958 3.909) 12.919 4.846 ( -3.651 1.447 -5.082) 6.422 4.846 ( 3.079 -2.438 5.082) 6.422 5.329 ( -2.466 -13.956 -2.537) 14.397 5.329 ( -10.853 -9.113 2.537) 14.397 5.612 ( -6.519 -5.208 -3.857) 9.193 5.612 ( -1.251 -8.250 3.857) 9.193 5.853 ( -8.253 -8.353 -5.095) 12.800 5.853 ( -3.107 -11.324 5.095) 12.800 6.237 ( -5.826 -12.285 -3.811) 14.120 6.237 ( -7.726 -11.187 3.811) 14.120 7.191 ( 5.617 1.112 -6.499) 8.662 7.191 ( -1.846 5.421 6.499) 8.662 7.273 ( -3.158 2.781 -5.876) 7.227 7.273 ( 3.988 -1.344 5.876) 7.227 7.398 ( -2.507 -0.773 -7.261) 7.721 7.398 ( 0.584 -2.557 7.261) 7.721 8.110 ( -1.659 4.712 -10.245) 11.398 8.110 ( 4.910 0.919 10.245) 11.398 8.295 ( -0.274 4.426 -8.315) 9.424 8.295 ( 3.970 1.976 8.315) 9.424 8.410 ( 7.154 6.864 -9.671) 13.849 8.410 ( 2.367 9.627 9.671) 13.849 8.577 ( -2.057 -0.726 -9.662) 9.905 8.577 ( 0.400 -2.144 9.662) 9.905 8.770 ( 4.032 -1.292 -2.863) 5.111 8.770 ( -3.135 2.846 2.863) 5.111 9.150 ( -4.685 -3.809 -5.122) 7.918 9.150 ( -0.956 -5.962 5.122) 7.918 9.236 ( 0.287 0.876 -7.307) 7.365 9.236 ( 0.615 0.687 7.307) 7.365 9.744 ( -4.759 -9.387 -2.914) 10.921 9.744 ( -5.750 -8.815 2.914) 10.921 10.416 ( 10.381 5.064 -3.513) 12.073 10.416 ( -0.805 11.522 3.513) 12.073 10.531 ( 14.618 -0.584 -2.938) 14.922 10.531 ( -7.815 12.368 2.938) 14.922 10.724 ( -1.841 1.167 -2.096) 3.024 10.724 ( 1.931 -1.011 2.096) 3.024 11.045 ( -0.727 -2.707 -4.480) 5.285 11.045 ( -1.981 -1.983 4.480) 5.285 11.283 ( 1.543 3.203 -4.136) 5.454 11.283 ( 2.002 2.938 4.136) 5.454 11.388 ( 0.765 -2.416 -1.978) 3.215 11.388 ( -2.475 -0.545 1.978) 3.215 11.568 ( -6.200 -1.024 -1.826) 6.544 11.568 ( 2.213 -5.882 1.826) 6.544 11.831 ( 0.854 -6.343 -4.262) 7.690 11.831 ( -5.920 -2.432 4.262) 7.690 12.386 ( 2.717 9.786 -5.923) 11.757 12.386 ( 7.117 7.246 5.923) 11.757 12.536 ( 3.843 0.214 -8.401) 9.241 12.536 ( -1.736 3.435 8.401) 9.241 12.846 ( -1.345 -4.966 -3.345) 6.137 12.846 ( -3.628 -3.648 3.345) 6.137 13.105 ( 6.646 3.914 -1.027) 7.780 13.105 ( 0.066 7.712 1.027) 7.780 13.455 ( -4.883 -1.861 -5.163) 7.345 13.455 ( 0.829 -5.159 5.163) 7.345 14.308 ( 4.001 6.799 -1.344) 8.002 14.308 ( 3.887 6.864 1.344) 8.002 14.858 ( -8.531 -12.673 -1.103) 15.317 14.858 ( -6.710 -13.724 1.103) 15.317 15.418 ( -5.818 -10.570 -19.640) 23.050 15.418 ( -6.244 -10.324 19.640) 23.050 17.045 ( 5.226 0.806 -2.938) 6.049 17.045 ( -1.915 4.928 2.938) 6.049 17.111 ( 4.586 -2.280 -0.004) 5.121 17.111 ( -4.268 2.831 0.004) 5.122 17.557 ( -2.048 -3.310 -5.277) 6.557 17.557 ( -1.843 -3.429 5.277) 6.557 19.158 ( 7.174 11.208 -9.736) 16.488 19.158 ( 6.119 11.816 9.736) 16.488 19.695 ( -5.128 -7.253 -10.661) 13.877 19.695 ( -3.718 -8.067 10.661) 13.877 21.608 ( 10.392 21.402 -6.109) 24.563 21.608 ( 13.338 19.701 6.109) 24.563 22.075 ( 1.419 1.605 -9.287) 9.531 22.075 ( 0.680 2.031 9.287) 9.531 22.622 ( -8.627 -16.439 -8.278) 20.327 22.622 ( -9.923 -15.690 8.278) 20.327 23.197 ( -0.625 -1.212 -5.060) 5.240 23.197 ( -0.737 -1.147 5.060) 5.240 ======================= Grid point 342 (58/58) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( -7.523 3.044 -2.166) 8.400 3.465 ( 1.126 8.037 2.166) 8.400 3.602 ( 5.855 -1.320 -4.883) 7.737 3.602 ( -1.785 -5.730 4.883) 7.737 3.959 ( 0.525 -1.074 -7.249) 7.347 3.959 ( 0.667 -0.992 7.249) 7.347 4.589 ( -8.828 10.192 -1.570) 13.574 4.589 ( -4.413 12.741 1.571) 13.574 4.816 ( 5.666 -1.126 -3.873) 6.955 4.816 ( -1.858 -5.470 3.873) 6.955 5.195 ( 0.584 -8.363 -1.735) 8.561 5.195 ( 6.951 -4.687 1.735) 8.561 5.533 ( -1.578 5.678 -3.015) 6.619 5.533 ( -4.128 4.206 3.015) 6.619 5.744 ( 6.104 -10.593 -1.525) 12.321 5.744 ( 6.122 -10.583 1.525) 12.321 6.111 ( 3.469 -7.258 -5.329) 9.649 6.111 ( 4.551 -6.633 5.329) 9.649 7.223 ( -4.199 3.569 -8.667) 10.271 7.223 ( -0.991 5.421 8.667) 10.271 7.298 ( 3.261 1.172 -5.829) 6.781 7.298 ( -2.645 -2.238 5.829) 6.781 7.357 ( 2.144 -6.065 -7.580) 9.942 7.357 ( 4.181 -4.890 7.580) 9.942 8.133 ( -1.609 5.031 -11.265) 12.442 8.133 ( -3.552 3.909 11.265) 12.442 8.350 ( -3.483 3.580 -8.954) 10.253 8.350 ( -1.359 4.806 8.954) 10.253 8.491 ( 1.043 -2.957 -8.776) 9.319 8.491 ( 2.039 -2.381 8.776) 9.320 8.601 ( -2.522 1.458 -0.526) 2.960 8.601 ( -0.002 2.913 0.526) 2.960 8.754 ( 0.527 10.480 -11.831) 15.814 8.754 ( -9.340 4.783 11.831) 15.814 9.046 ( 5.495 -12.860 -4.963) 14.839 9.046 ( 8.390 -11.189 4.963) 14.839 9.351 ( -4.669 6.285 -2.353) 8.175 9.351 ( -3.109 7.186 2.353) 8.175 9.584 ( 3.367 -7.373 -3.154) 8.697 9.584 ( 4.702 -6.602 3.154) 8.697 10.476 ( -9.699 14.033 -7.068) 18.465 10.476 ( -7.304 15.416 7.068) 18.465 10.656 ( -3.829 -2.406 -6.056) 7.558 10.656 ( 3.999 2.113 6.056) 7.558 10.725 ( 4.635 -2.947 -3.647) 6.593 10.725 ( 0.235 -5.487 3.647) 6.593 10.993 ( 2.257 -4.488 -7.238) 8.810 10.993 ( 2.758 -4.198 7.238) 8.810 11.328 ( -5.295 2.476 0.757) 5.894 11.328 ( 0.504 5.824 -0.757) 5.894 11.392 ( -0.204 1.948 -1.837) 2.685 11.392 ( -1.585 1.151 1.837) 2.685 11.485 ( 1.383 1.101 -4.716) 5.037 11.485 ( -1.645 -0.648 4.716) 5.037 11.791 ( 2.465 -7.087 -3.986) 8.496 11.791 ( 4.905 -5.678 3.986) 8.496 12.481 ( -1.536 8.505 -5.544) 10.268 12.481 ( -6.597 5.582 5.544) 10.268 12.593 ( -4.700 -4.840 -6.593) 9.433 12.593 ( 6.541 1.650 6.593) 9.433 12.755 ( -1.491 -0.850 -2.882) 3.354 12.755 ( 1.482 0.866 2.882) 3.354 13.198 ( -5.459 4.824 -2.265) 7.629 13.198 ( -1.448 7.140 2.265) 7.629 13.394 ( 6.037 -6.456 -4.308) 9.833 13.394 ( 2.572 -8.456 4.308) 9.833 14.419 ( -5.508 6.370 -0.065) 8.421 14.419 ( -2.762 7.955 0.065) 8.421 14.678 ( 4.653 -12.400 -0.703) 13.263 14.678 ( 8.412 -10.230 0.703) 13.263 15.307 ( 2.390 -4.518 -21.040) 21.652 15.307 ( 2.718 -4.329 21.040) 21.652 17.057 ( -2.948 3.468 -1.485) 4.788 17.057 ( -1.530 4.288 1.485) 4.788 17.135 ( 2.433 -2.820 -0.792) 3.808 17.135 ( 1.226 -3.517 0.792) 3.808 17.519 ( 0.234 -0.282 -6.351) 6.361 17.519 ( 0.127 -0.343 6.351) 6.361 19.325 ( -5.105 8.030 -10.468) 14.147 19.325 ( -4.402 8.436 10.468) 14.147 19.570 ( 5.040 -7.899 -11.267) 14.654 19.570 ( 4.321 -8.314 11.267) 14.654 21.869 ( -11.201 21.156 -7.660) 25.134 21.869 ( -12.721 20.279 7.660) 25.134 22.118 ( 0.097 -0.632 -8.566) 8.590 22.118 ( 0.499 -0.401 8.566) 8.590 22.381 ( 9.301 -16.754 -9.425) 21.356 22.381 ( 9.859 -16.432 9.425) 21.356 23.185 ( 0.259 -0.476 -5.795) 5.821 23.185 ( 0.283 -0.462 5.795) 5.821 =================== 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 3/43560 10.0 3353.737 3353.737 6058.170 -0.000 0.000 -0.000 3/43560 20.0 1621.761 1621.761 2297.636 0.000 0.000 0.000 3/43560 30.0 850.348 850.348 972.380 0.000 0.000 0.000 3/43560 40.0 450.865 450.865 469.168 0.000 0.000 0.000 3/43560 50.0 252.304 252.304 253.144 0.000 0.000 0.000 3/43560 60.0 152.100 152.100 150.341 0.000 0.000 0.000 3/43560 70.0 98.863 98.863 97.158 0.000 0.000 0.000 3/43560 80.0 68.721 68.721 67.441 0.000 0.000 0.000 3/43560 90.0 50.544 50.544 49.635 0.000 0.000 0.000 3/43560 100.0 38.935 38.935 38.295 0.000 0.000 0.000 3/43560 110.0 31.140 31.140 30.684 0.000 0.000 0.000 3/43560 120.0 25.674 25.674 25.343 0.000 0.000 0.000 3/43560 130.0 21.697 21.697 21.451 0.000 0.000 0.000 3/43560 140.0 18.711 18.711 18.524 0.000 0.000 0.000 3/43560 150.0 16.408 16.408 16.260 0.000 0.000 0.000 3/43560 160.0 14.588 14.588 14.469 0.000 0.000 0.000 3/43560 170.0 13.123 13.123 13.023 0.000 0.000 0.000 3/43560 180.0 11.921 11.921 11.834 0.000 0.000 0.000 3/43560 190.0 10.920 10.920 10.843 0.000 0.000 0.000 3/43560 200.0 10.075 10.075 10.005 0.000 0.000 0.000 3/43560 210.0 9.354 9.354 9.288 0.000 0.000 0.000 3/43560 220.0 8.731 8.731 8.668 0.000 0.000 0.000 3/43560 230.0 8.188 8.188 8.128 0.000 0.000 0.000 3/43560 240.0 7.712 7.712 7.652 0.000 0.000 0.000 3/43560 250.0 7.289 7.289 7.231 0.000 0.000 0.000 3/43560 260.0 6.913 6.913 6.855 0.000 0.000 0.000 3/43560 270.0 6.575 6.575 6.517 0.000 0.000 0.000 3/43560 280.0 6.271 6.271 6.213 0.000 0.000 0.000 3/43560 290.0 5.994 5.994 5.937 0.000 0.000 0.000 3/43560 300.0 5.743 5.743 5.685 0.000 0.000 0.000 3/43560 310.0 5.512 5.512 5.454 0.000 0.000 0.000 3/43560 320.0 5.301 5.301 5.243 0.000 0.000 0.000 3/43560 330.0 5.105 5.105 5.047 0.000 0.000 0.000 3/43560 340.0 4.925 4.925 4.867 0.000 0.000 0.000 3/43560 350.0 4.757 4.757 4.699 0.000 0.000 0.000 3/43560 360.0 4.601 4.601 4.543 0.000 0.000 0.000 3/43560 370.0 4.456 4.456 4.398 0.000 0.000 0.000 3/43560 380.0 4.320 4.320 4.262 0.000 0.000 0.000 3/43560 390.0 4.192 4.192 4.134 0.000 0.000 0.000 3/43560 400.0 4.072 4.072 4.014 0.000 0.000 0.000 3/43560 410.0 3.959 3.959 3.902 0.000 0.000 0.000 3/43560 420.0 3.852 3.852 3.795 0.000 0.000 0.000 3/43560 430.0 3.751 3.751 3.695 0.000 0.000 0.000 3/43560 440.0 3.656 3.656 3.600 0.000 0.000 0.000 3/43560 450.0 3.566 3.566 3.510 0.000 0.000 0.000 3/43560 460.0 3.480 3.480 3.424 0.000 0.000 0.000 3/43560 470.0 3.398 3.398 3.343 0.000 0.000 0.000 3/43560 480.0 3.320 3.320 3.265 0.000 0.000 0.000 3/43560 490.0 3.246 3.246 3.191 0.000 0.000 0.000 3/43560 500.0 3.175 3.175 3.121 0.000 0.000 0.000 3/43560 510.0 3.107 3.107 3.054 0.000 0.000 0.000 3/43560 520.0 3.043 3.043 2.989 0.000 0.000 0.000 3/43560 530.0 2.981 2.981 2.928 0.000 0.000 0.000 3/43560 540.0 2.921 2.921 2.869 0.000 0.000 0.000 3/43560 550.0 2.864 2.864 2.812 0.000 0.000 0.000 3/43560 560.0 2.809 2.809 2.758 0.000 0.000 0.000 3/43560 570.0 2.757 2.757 2.706 0.000 0.000 0.000 3/43560 580.0 2.706 2.706 2.655 0.000 0.000 0.000 3/43560 590.0 2.657 2.657 2.607 0.000 0.000 0.000 3/43560 600.0 2.610 2.610 2.560 0.000 0.000 0.000 3/43560 610.0 2.565 2.565 2.516 0.000 0.000 0.000 3/43560 620.0 2.521 2.521 2.472 0.000 0.000 0.000 3/43560 630.0 2.479 2.479 2.430 0.000 0.000 0.000 3/43560 640.0 2.438 2.438 2.390 0.000 0.000 0.000 3/43560 650.0 2.398 2.398 2.351 0.000 0.000 0.000 3/43560 660.0 2.360 2.360 2.313 0.000 0.000 0.000 3/43560 670.0 2.323 2.323 2.277 0.000 0.000 0.000 3/43560 680.0 2.288 2.288 2.241 0.000 0.000 0.000 3/43560 690.0 2.253 2.253 2.207 0.000 0.000 0.000 3/43560 700.0 2.219 2.219 2.174 0.000 0.000 0.000 3/43560 710.0 2.187 2.187 2.142 0.000 0.000 0.000 3/43560 720.0 2.155 2.155 2.111 0.000 0.000 0.000 3/43560 730.0 2.124 2.124 2.080 0.000 0.000 0.000 3/43560 740.0 2.094 2.094 2.051 0.000 0.000 0.000 3/43560 750.0 2.065 2.065 2.022 0.000 0.000 0.000 3/43560 760.0 2.037 2.037 1.994 0.000 0.000 0.000 3/43560 770.0 2.010 2.010 1.967 0.000 0.000 0.000 3/43560 780.0 1.983 1.983 1.941 0.000 0.000 0.000 3/43560 790.0 1.957 1.957 1.915 0.000 0.000 0.000 3/43560 800.0 1.932 1.932 1.891 0.000 0.000 0.000 3/43560 810.0 1.907 1.907 1.866 0.000 0.000 0.000 3/43560 820.0 1.883 1.883 1.843 0.000 0.000 0.000 3/43560 830.0 1.860 1.860 1.820 0.000 0.000 0.000 3/43560 840.0 1.837 1.837 1.797 0.000 0.000 0.000 3/43560 850.0 1.815 1.815 1.775 0.000 0.000 0.000 3/43560 860.0 1.793 1.793 1.754 0.000 0.000 0.000 3/43560 870.0 1.772 1.772 1.733 0.000 0.000 0.000 3/43560 880.0 1.751 1.751 1.713 0.000 0.000 0.000 3/43560 890.0 1.731 1.731 1.693 0.000 0.000 0.000 3/43560 900.0 1.711 1.711 1.673 0.000 0.000 0.000 3/43560 910.0 1.692 1.692 1.654 0.000 0.000 0.000 3/43560 920.0 1.673 1.673 1.636 0.000 0.000 0.000 3/43560 930.0 1.655 1.655 1.618 0.000 0.000 0.000 3/43560 940.0 1.637 1.637 1.600 0.000 0.000 0.000 3/43560 950.0 1.619 1.619 1.583 0.000 0.000 0.000 3/43560 960.0 1.602 1.602 1.566 0.000 0.000 0.000 3/43560 970.0 1.585 1.585 1.549 0.000 0.000 0.000 3/43560 980.0 1.568 1.568 1.533 0.000 0.000 0.000 3/43560 990.0 1.552 1.552 1.517 0.000 0.000 0.000 3/43560 1000.0 1.536 1.536 1.502 0.000 0.000 0.000 3/43560 Thermal conductivity related properties were written into "kappa-m11114.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:54:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|