----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:28:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.951840580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.557402309999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.890280830000000 Atomic positions (fractional): *1 Be 0.09594124195997 0.25000000000000 0.42637744133214 9.012 2 Be 0.90405875804003 0.75000000000000 0.57362255866786 9.012 3 Be 0.59594124195997 0.25000000000000 0.07362255866786 9.012 4 Be 0.40405875804003 0.75000000000000 0.92637744133214 9.012 *5 F 0.83919328268032 0.94193655912332 0.69700119455788 18.998 6 F 0.66080671731968 0.05806344087668 0.19700119455788 18.998 7 F 0.16080671731968 0.44193655912332 0.30299880544212 18.998 8 F 0.33919328268032 0.55806344087668 0.80299880544212 18.998 9 F 0.66080671731968 0.44193655912332 0.19700119455788 18.998 10 F 0.16080671731968 0.05806344087668 0.30299880544212 18.998 11 F 0.83919328268032 0.55806344087668 0.69700119455788 18.998 12 F 0.33919328268032 0.94193655912332 0.80299880544212 18.998 *13 F 0.09393622100278 0.25000000000000 0.74298612073036 18.998 14 F 0.40606377899722 0.75000000000000 0.24298612073036 18.998 15 F 0.90606377899722 0.75000000000000 0.25701387926964 18.998 16 F 0.59393622100278 0.25000000000000 0.75701387926964 18.998 *17 F 0.03738270690612 0.75000000000000 0.69551845261191 18.998 18 F 0.46261729309388 0.25000000000000 0.19551845261191 18.998 19 F 0.96261729309388 0.25000000000000 0.30448154738809 18.998 20 F 0.53738270690612 0.75000000000000 0.80448154738809 18.998 *21 Na 0.77913769769674 0.25000000000000 0.51177095870613 22.990 22 Na 0.72086230230326 0.75000000000000 0.01177095870613 22.990 23 Na 0.22086230230326 0.75000000000000 0.48822904129387 22.990 24 Na 0.27913769769674 0.25000000000000 0.98822904129387 22.990 *25 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 26 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 27 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 28 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.951840580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.557402309999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.890280830000000 Atomic positions (fractional): *1 Be 0.09594124195997 0.25000000000000 0.42637744133214 9.012 > 1 2 Be 0.90405875804003 0.75000000000000 0.57362255866786 9.012 > 2 3 Be 0.59594124195997 0.25000000000000 0.07362255866786 9.012 > 3 4 Be 0.40405875804003 0.75000000000000 0.92637744133214 9.012 > 4 *5 F 0.83919328268032 0.94193655912332 0.69700119455788 18.998 > 5 6 F 0.66080671731968 0.05806344087668 0.19700119455788 18.998 > 6 7 F 0.16080671731968 0.44193655912332 0.30299880544212 18.998 > 7 8 F 0.33919328268032 0.55806344087668 0.80299880544212 18.998 > 8 9 F 0.66080671731968 0.44193655912332 0.19700119455788 18.998 > 9 10 F 0.16080671731968 0.05806344087668 0.30299880544212 18.998 > 10 11 F 0.83919328268032 0.55806344087668 0.69700119455788 18.998 > 11 12 F 0.33919328268032 0.94193655912332 0.80299880544212 18.998 > 12 *13 F 0.09393622100278 0.25000000000000 0.74298612073036 18.998 > 13 14 F 0.40606377899722 0.75000000000000 0.24298612073036 18.998 > 14 15 F 0.90606377899722 0.75000000000000 0.25701387926964 18.998 > 15 16 F 0.59393622100278 0.25000000000000 0.75701387926964 18.998 > 16 *17 F 0.03738270690612 0.75000000000000 0.69551845261191 18.998 > 17 18 F 0.46261729309388 0.25000000000000 0.19551845261191 18.998 > 18 19 F 0.96261729309388 0.25000000000000 0.30448154738809 18.998 > 19 20 F 0.53738270690612 0.75000000000000 0.80448154738809 18.998 > 20 *21 Na 0.77913769769674 0.25000000000000 0.51177095870613 22.990 > 21 22 Na 0.72086230230326 0.75000000000000 0.01177095870613 22.990 > 22 23 Na 0.22086230230326 0.75000000000000 0.48822904129387 22.990 > 23 24 Na 0.27913769769674 0.25000000000000 0.98822904129387 22.990 > 24 *25 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 25 26 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 26 27 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 27 28 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.951840580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.114804619999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.780561660000000 Atomic positions (fractional): *1 Be 0.09594124195997 0.12500000000000 0.21318872066607 9.012 > 1 2 Be 0.09594124195997 0.62500000000000 0.21318872066607 9.012 > 1 3 Be 0.09594124195997 0.12500000000000 0.71318872066607 9.012 > 1 4 Be 0.09594124195997 0.62500000000000 0.71318872066607 9.012 > 1 5 Be 0.90405875804003 0.37500000000000 0.28681127933393 9.012 > 2 6 Be 0.90405875804003 0.87500000000000 0.28681127933393 9.012 > 2 7 Be 0.90405875804003 0.37500000000000 0.78681127933393 9.012 > 2 8 Be 0.90405875804003 0.87500000000000 0.78681127933393 9.012 > 2 9 Be 0.59594124195997 0.12500000000000 0.03681127933393 9.012 > 3 10 Be 0.59594124195997 0.62500000000000 0.03681127933393 9.012 > 3 11 Be 0.59594124195997 0.12500000000000 0.53681127933393 9.012 > 3 12 Be 0.59594124195997 0.62500000000000 0.53681127933393 9.012 > 3 13 Be 0.40405875804003 0.37500000000000 0.46318872066607 9.012 > 4 14 Be 0.40405875804003 0.87500000000000 0.46318872066607 9.012 > 4 15 Be 0.40405875804003 0.37500000000000 0.96318872066607 9.012 > 4 16 Be 0.40405875804003 0.87500000000000 0.96318872066607 9.012 > 4 *17 F 0.83919328268032 0.47096827956166 0.34850059727894 18.998 > 5 18 F 0.83919328268032 0.97096827956166 0.34850059727894 18.998 > 5 19 F 0.83919328268032 0.47096827956166 0.84850059727894 18.998 > 5 20 F 0.83919328268032 0.97096827956166 0.84850059727894 18.998 > 5 21 F 0.66080671731968 0.02903172043834 0.09850059727894 18.998 > 6 22 F 0.66080671731968 0.52903172043834 0.09850059727894 18.998 > 6 23 F 0.66080671731968 0.02903172043834 0.59850059727894 18.998 > 6 24 F 0.66080671731968 0.52903172043834 0.59850059727894 18.998 > 6 25 F 0.16080671731968 0.22096827956166 0.15149940272106 18.998 > 7 26 F 0.16080671731968 0.72096827956166 0.15149940272106 18.998 > 7 27 F 0.16080671731968 0.22096827956166 0.65149940272106 18.998 > 7 28 F 0.16080671731968 0.72096827956166 0.65149940272106 18.998 > 7 29 F 0.33919328268032 0.27903172043834 0.40149940272106 18.998 > 8 30 F 0.33919328268032 0.77903172043834 0.40149940272106 18.998 > 8 31 F 0.33919328268032 0.27903172043834 0.90149940272106 18.998 > 8 32 F 0.33919328268032 0.77903172043834 0.90149940272106 18.998 > 8 33 F 0.66080671731968 0.22096827956166 0.09850059727894 18.998 > 9 34 F 0.66080671731968 0.72096827956166 0.09850059727894 18.998 > 9 35 F 0.66080671731968 0.22096827956166 0.59850059727894 18.998 > 9 36 F 0.66080671731968 0.72096827956166 0.59850059727894 18.998 > 9 37 F 0.16080671731968 0.02903172043834 0.15149940272106 18.998 > 10 38 F 0.16080671731968 0.52903172043834 0.15149940272106 18.998 > 10 39 F 0.16080671731968 0.02903172043834 0.65149940272106 18.998 > 10 40 F 0.16080671731968 0.52903172043834 0.65149940272106 18.998 > 10 41 F 0.83919328268032 0.27903172043834 0.34850059727894 18.998 > 11 42 F 0.83919328268032 0.77903172043834 0.34850059727894 18.998 > 11 43 F 0.83919328268032 0.27903172043834 0.84850059727894 18.998 > 11 44 F 0.83919328268032 0.77903172043834 0.84850059727894 18.998 > 11 45 F 0.33919328268032 0.47096827956166 0.40149940272106 18.998 > 12 46 F 0.33919328268032 0.97096827956166 0.40149940272106 18.998 > 12 47 F 0.33919328268032 0.47096827956166 0.90149940272106 18.998 > 12 48 F 0.33919328268032 0.97096827956166 0.90149940272106 18.998 > 12 *49 F 0.09393622100278 0.12500000000000 0.37149306036518 18.998 > 13 50 F 0.09393622100278 0.62500000000000 0.37149306036518 18.998 > 13 51 F 0.09393622100278 0.12500000000000 0.87149306036518 18.998 > 13 52 F 0.09393622100278 0.62500000000000 0.87149306036518 18.998 > 13 53 F 0.40606377899722 0.37500000000000 0.12149306036518 18.998 > 14 54 F 0.40606377899722 0.87500000000000 0.12149306036518 18.998 > 14 55 F 0.40606377899722 0.37500000000000 0.62149306036518 18.998 > 14 56 F 0.40606377899722 0.87500000000000 0.62149306036518 18.998 > 14 57 F 0.90606377899722 0.37500000000000 0.12850693963482 18.998 > 15 58 F 0.90606377899722 0.87500000000000 0.12850693963482 18.998 > 15 59 F 0.90606377899722 0.37500000000000 0.62850693963482 18.998 > 15 60 F 0.90606377899722 0.87500000000000 0.62850693963482 18.998 > 15 61 F 0.59393622100278 0.12500000000000 0.37850693963482 18.998 > 16 62 F 0.59393622100278 0.62500000000000 0.37850693963482 18.998 > 16 63 F 0.59393622100278 0.12500000000000 0.87850693963482 18.998 > 16 64 F 0.59393622100278 0.62500000000000 0.87850693963482 18.998 > 16 *65 F 0.03738270690612 0.37500000000000 0.34775922630595 18.998 > 17 66 F 0.03738270690612 0.87500000000000 0.34775922630595 18.998 > 17 67 F 0.03738270690612 0.37500000000000 0.84775922630595 18.998 > 17 68 F 0.03738270690612 0.87500000000000 0.84775922630595 18.998 > 17 69 F 0.46261729309388 0.12500000000000 0.09775922630595 18.998 > 18 70 F 0.46261729309388 0.62500000000000 0.09775922630595 18.998 > 18 71 F 0.46261729309388 0.12500000000000 0.59775922630595 18.998 > 18 72 F 0.46261729309388 0.62500000000000 0.59775922630595 18.998 > 18 73 F 0.96261729309388 0.12500000000000 0.15224077369405 18.998 > 19 74 F 0.96261729309388 0.62500000000000 0.15224077369405 18.998 > 19 75 F 0.96261729309388 0.12500000000000 0.65224077369405 18.998 > 19 76 F 0.96261729309388 0.62500000000000 0.65224077369405 18.998 > 19 77 F 0.53738270690612 0.37500000000000 0.40224077369405 18.998 > 20 78 F 0.53738270690612 0.87500000000000 0.40224077369405 18.998 > 20 79 F 0.53738270690612 0.37500000000000 0.90224077369405 18.998 > 20 80 F 0.53738270690612 0.87500000000000 0.90224077369405 18.998 > 20 *81 Na 0.77913769769674 0.12500000000000 0.25588547935306 22.990 > 21 82 Na 0.77913769769674 0.62500000000000 0.25588547935306 22.990 > 21 83 Na 0.77913769769674 0.12500000000000 0.75588547935306 22.990 > 21 84 Na 0.77913769769674 0.62500000000000 0.75588547935306 22.990 > 21 85 Na 0.72086230230326 0.37500000000000 0.00588547935306 22.990 > 22 86 Na 0.72086230230326 0.87500000000000 0.00588547935306 22.990 > 22 87 Na 0.72086230230326 0.37500000000000 0.50588547935307 22.990 > 22 88 Na 0.72086230230326 0.87500000000000 0.50588547935307 22.990 > 22 89 Na 0.22086230230326 0.37500000000000 0.24411452064694 22.990 > 23 90 Na 0.22086230230326 0.87500000000000 0.24411452064694 22.990 > 23 91 Na 0.22086230230326 0.37500000000000 0.74411452064694 22.990 > 23 92 Na 0.22086230230326 0.87500000000000 0.74411452064694 22.990 > 23 93 Na 0.27913769769674 0.12500000000000 0.49411452064694 22.990 > 24 94 Na 0.27913769769674 0.62500000000000 0.49411452064694 22.990 > 24 95 Na 0.27913769769674 0.12500000000000 0.99411452064694 22.990 > 24 96 Na 0.27913769769674 0.62500000000000 0.99411452064694 22.990 > 24 *97 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 25 98 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 25 99 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 25 100 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 25 101 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 26 102 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 26 103 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 26 104 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 26 105 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 27 106 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 27 107 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 27 108 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 27 109 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 28 110 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 28 111 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 28 112 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.7787868 0.0000000 0.0000000 0.0000000 1.7876354 0.0000000 0.0000000 0.0000000 1.7963804 -------------------------- Born effective charges -------------------------- 1 Be 1.5775963 0.0000000 -0.0184733 0.0000000 1.6598082 0.0000000 -0.0129398 0.0000000 1.7325257 2 Be 1.5775963 0.0000000 -0.0184733 0.0000000 1.6598082 0.0000000 -0.0129398 0.0000000 1.7325257 3 Be 1.5775963 0.0000000 0.0184733 0.0000000 1.6598082 0.0000000 0.0129398 0.0000000 1.7325257 4 Be 1.5775963 0.0000000 0.0184733 0.0000000 1.6598082 0.0000000 0.0129398 0.0000000 1.7325257 5 F -0.8746971 0.1510489 0.0675619 0.1561288 -1.0774386 -0.0915316 0.0648610 -0.0864400 -0.8472388 6 F -0.8746971 0.1510489 -0.0675619 0.1561288 -1.0774386 0.0915316 -0.0648610 0.0864400 -0.8472388 7 F -0.8746971 -0.1510489 0.0675619 -0.1561288 -1.0774386 0.0915316 0.0648610 0.0864400 -0.8472388 8 F -0.8746971 -0.1510489 -0.0675619 -0.1561288 -1.0774386 -0.0915316 -0.0648610 -0.0864400 -0.8472388 9 F -0.8746971 -0.1510489 -0.0675619 -0.1561288 -1.0774386 -0.0915316 -0.0648610 -0.0864400 -0.8472388 10 F -0.8746971 0.1510489 0.0675619 0.1561288 -1.0774386 -0.0915316 0.0648610 -0.0864400 -0.8472388 11 F -0.8746971 -0.1510489 0.0675619 -0.1561288 -1.0774386 0.0915316 0.0648610 0.0864400 -0.8472388 12 F -0.8746971 0.1510489 -0.0675619 0.1561288 -1.0774386 0.0915316 -0.0648610 0.0864400 -0.8472388 13 F -0.7594741 0.0000000 0.0042566 0.0000000 -0.7726480 0.0000000 0.0065588 0.0000000 -1.2684489 14 F -0.7594741 0.0000000 -0.0042566 0.0000000 -0.7726480 0.0000000 -0.0065588 0.0000000 -1.2684489 15 F -0.7594741 0.0000000 0.0042566 0.0000000 -0.7726480 0.0000000 0.0065588 0.0000000 -1.2684489 16 F -0.7594741 0.0000000 -0.0042566 0.0000000 -0.7726480 0.0000000 -0.0065588 0.0000000 -1.2684489 17 F -1.1281554 0.0000000 -0.1058226 0.0000000 -0.8005257 0.0000000 -0.1026926 0.0000000 -0.8511323 18 F -1.1281554 0.0000000 0.1058226 0.0000000 -0.8005257 0.0000000 0.1026926 0.0000000 -0.8511323 19 F -1.1281554 0.0000000 -0.1058226 0.0000000 -0.8005257 0.0000000 -0.1026926 0.0000000 -0.8511323 20 F -1.1281554 0.0000000 0.1058226 0.0000000 -0.8005257 0.0000000 0.1026926 0.0000000 -0.8511323 21 Na 1.1077725 0.0000000 0.0127895 0.0000000 1.0497771 0.0000000 -0.0007252 0.0000000 0.9918634 22 Na 1.1077725 0.0000000 -0.0127895 0.0000000 1.0497771 0.0000000 0.0007252 0.0000000 0.9918634 23 Na 1.1077725 0.0000000 0.0127895 0.0000000 1.0497771 0.0000000 -0.0007252 0.0000000 0.9918634 24 Na 1.1077725 0.0000000 -0.0127895 0.0000000 1.0497771 0.0000000 0.0007252 0.0000000 0.9918634 25 Na 0.9516549 -0.0904805 -0.0211143 -0.0849614 1.0184656 0.0395095 -0.0071559 0.0152285 1.0896699 26 Na 0.9516549 -0.0904805 0.0211143 -0.0849614 1.0184656 -0.0395095 0.0071559 -0.0152285 1.0896699 27 Na 0.9516549 0.0904805 -0.0211143 0.0849614 1.0184656 -0.0395095 -0.0071559 -0.0152285 1.0896699 28 Na 0.9516549 0.0904805 0.0211143 0.0849614 1.0184656 0.0395095 0.0071559 0.0152285 1.0896699 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.058 Solver_block: 200 / 480 - Time: 3.078 Solver_block: 300 / 480 - Time: 3.075 Solver_block: 400 / 480 - Time: 3.076 Solver_block: 480 / 480 - Time: 2.484 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.821 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:29:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:29:24]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.951840580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.557402309999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.890280830000000 Atomic positions (fractional): 1 Be 0.09594124195997 0.25000000000000 0.42637744133214 9.012 2 Be 0.90405875804003 0.75000000000000 0.57362255866786 9.012 3 Be 0.59594124195997 0.25000000000000 0.07362255866786 9.012 4 Be 0.40405875804003 0.75000000000000 0.92637744133214 9.012 5 F 0.83919328268032 0.94193655912332 0.69700119455788 18.998 6 F 0.66080671731968 0.05806344087668 0.19700119455788 18.998 7 F 0.16080671731968 0.44193655912332 0.30299880544212 18.998 8 F 0.33919328268032 0.55806344087668 0.80299880544212 18.998 9 F 0.66080671731968 0.44193655912332 0.19700119455788 18.998 10 F 0.16080671731968 0.05806344087668 0.30299880544212 18.998 11 F 0.83919328268032 0.55806344087668 0.69700119455788 18.998 12 F 0.33919328268032 0.94193655912332 0.80299880544212 18.998 13 F 0.09393622100278 0.25000000000000 0.74298612073036 18.998 14 F 0.40606377899722 0.75000000000000 0.24298612073036 18.998 15 F 0.90606377899722 0.75000000000000 0.25701387926964 18.998 16 F 0.59393622100278 0.25000000000000 0.75701387926964 18.998 17 F 0.03738270690612 0.75000000000000 0.69551845261191 18.998 18 F 0.46261729309388 0.25000000000000 0.19551845261191 18.998 19 F 0.96261729309388 0.25000000000000 0.30448154738809 18.998 20 F 0.53738270690612 0.75000000000000 0.80448154738809 18.998 21 Na 0.77913769769674 0.25000000000000 0.51177095870613 22.990 22 Na 0.72086230230326 0.75000000000000 0.01177095870613 22.990 23 Na 0.22086230230326 0.75000000000000 0.48822904129387 22.990 24 Na 0.27913769769674 0.25000000000000 0.98822904129387 22.990 25 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 26 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 27 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 28 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.951840580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.114804619999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.780561660000000 Atomic positions (fractional): 1 Be 0.09594124195997 0.12500000000000 0.21318872066607 9.012 > 1 2 Be 0.09594124195997 0.62500000000000 0.21318872066607 9.012 > 1 3 Be 0.09594124195997 0.12500000000000 0.71318872066607 9.012 > 1 4 Be 0.09594124195997 0.62500000000000 0.71318872066607 9.012 > 1 5 Be 0.90405875804003 0.37500000000000 0.28681127933393 9.012 > 5 6 Be 0.90405875804003 0.87500000000000 0.28681127933393 9.012 > 5 7 Be 0.90405875804003 0.37500000000000 0.78681127933393 9.012 > 5 8 Be 0.90405875804003 0.87500000000000 0.78681127933393 9.012 > 5 9 Be 0.59594124195997 0.12500000000000 0.03681127933393 9.012 > 9 10 Be 0.59594124195997 0.62500000000000 0.03681127933393 9.012 > 9 11 Be 0.59594124195997 0.12500000000000 0.53681127933393 9.012 > 9 12 Be 0.59594124195997 0.62500000000000 0.53681127933393 9.012 > 9 13 Be 0.40405875804003 0.37500000000000 0.46318872066607 9.012 > 13 14 Be 0.40405875804003 0.87500000000000 0.46318872066607 9.012 > 13 15 Be 0.40405875804003 0.37500000000000 0.96318872066607 9.012 > 13 16 Be 0.40405875804003 0.87500000000000 0.96318872066607 9.012 > 13 17 F 0.83919328268032 0.47096827956166 0.34850059727894 18.998 > 17 18 F 0.83919328268032 0.97096827956166 0.34850059727894 18.998 > 17 19 F 0.83919328268032 0.47096827956166 0.84850059727894 18.998 > 17 20 F 0.83919328268032 0.97096827956166 0.84850059727894 18.998 > 17 21 F 0.66080671731968 0.02903172043834 0.09850059727894 18.998 > 21 22 F 0.66080671731968 0.52903172043834 0.09850059727894 18.998 > 21 23 F 0.66080671731968 0.02903172043834 0.59850059727894 18.998 > 21 24 F 0.66080671731968 0.52903172043834 0.59850059727894 18.998 > 21 25 F 0.16080671731968 0.22096827956166 0.15149940272106 18.998 > 25 26 F 0.16080671731968 0.72096827956166 0.15149940272106 18.998 > 25 27 F 0.16080671731968 0.22096827956166 0.65149940272106 18.998 > 25 28 F 0.16080671731968 0.72096827956166 0.65149940272106 18.998 > 25 29 F 0.33919328268032 0.27903172043834 0.40149940272106 18.998 > 29 30 F 0.33919328268032 0.77903172043834 0.40149940272106 18.998 > 29 31 F 0.33919328268032 0.27903172043834 0.90149940272106 18.998 > 29 32 F 0.33919328268032 0.77903172043834 0.90149940272106 18.998 > 29 33 F 0.66080671731968 0.22096827956166 0.09850059727894 18.998 > 33 34 F 0.66080671731968 0.72096827956166 0.09850059727894 18.998 > 33 35 F 0.66080671731968 0.22096827956166 0.59850059727894 18.998 > 33 36 F 0.66080671731968 0.72096827956166 0.59850059727894 18.998 > 33 37 F 0.16080671731968 0.02903172043834 0.15149940272106 18.998 > 37 38 F 0.16080671731968 0.52903172043834 0.15149940272106 18.998 > 37 39 F 0.16080671731968 0.02903172043834 0.65149940272106 18.998 > 37 40 F 0.16080671731968 0.52903172043834 0.65149940272106 18.998 > 37 41 F 0.83919328268032 0.27903172043834 0.34850059727894 18.998 > 41 42 F 0.83919328268032 0.77903172043834 0.34850059727894 18.998 > 41 43 F 0.83919328268032 0.27903172043834 0.84850059727894 18.998 > 41 44 F 0.83919328268032 0.77903172043834 0.84850059727894 18.998 > 41 45 F 0.33919328268032 0.47096827956166 0.40149940272106 18.998 > 45 46 F 0.33919328268032 0.97096827956166 0.40149940272106 18.998 > 45 47 F 0.33919328268032 0.47096827956166 0.90149940272106 18.998 > 45 48 F 0.33919328268032 0.97096827956166 0.90149940272106 18.998 > 45 49 F 0.09393622100278 0.12500000000000 0.37149306036518 18.998 > 49 50 F 0.09393622100278 0.62500000000000 0.37149306036518 18.998 > 49 51 F 0.09393622100278 0.12500000000000 0.87149306036518 18.998 > 49 52 F 0.09393622100278 0.62500000000000 0.87149306036518 18.998 > 49 53 F 0.40606377899722 0.37500000000000 0.12149306036518 18.998 > 53 54 F 0.40606377899722 0.87500000000000 0.12149306036518 18.998 > 53 55 F 0.40606377899722 0.37500000000000 0.62149306036518 18.998 > 53 56 F 0.40606377899722 0.87500000000000 0.62149306036518 18.998 > 53 57 F 0.90606377899722 0.37500000000000 0.12850693963482 18.998 > 57 58 F 0.90606377899722 0.87500000000000 0.12850693963482 18.998 > 57 59 F 0.90606377899722 0.37500000000000 0.62850693963482 18.998 > 57 60 F 0.90606377899722 0.87500000000000 0.62850693963482 18.998 > 57 61 F 0.59393622100278 0.12500000000000 0.37850693963482 18.998 > 61 62 F 0.59393622100278 0.62500000000000 0.37850693963482 18.998 > 61 63 F 0.59393622100278 0.12500000000000 0.87850693963482 18.998 > 61 64 F 0.59393622100278 0.62500000000000 0.87850693963482 18.998 > 61 65 F 0.03738270690612 0.37500000000000 0.34775922630595 18.998 > 65 66 F 0.03738270690612 0.87500000000000 0.34775922630595 18.998 > 65 67 F 0.03738270690612 0.37500000000000 0.84775922630595 18.998 > 65 68 F 0.03738270690612 0.87500000000000 0.84775922630595 18.998 > 65 69 F 0.46261729309388 0.12500000000000 0.09775922630595 18.998 > 69 70 F 0.46261729309388 0.62500000000000 0.09775922630595 18.998 > 69 71 F 0.46261729309388 0.12500000000000 0.59775922630595 18.998 > 69 72 F 0.46261729309388 0.62500000000000 0.59775922630595 18.998 > 69 73 F 0.96261729309388 0.12500000000000 0.15224077369405 18.998 > 73 74 F 0.96261729309388 0.62500000000000 0.15224077369405 18.998 > 73 75 F 0.96261729309388 0.12500000000000 0.65224077369405 18.998 > 73 76 F 0.96261729309388 0.62500000000000 0.65224077369405 18.998 > 73 77 F 0.53738270690612 0.37500000000000 0.40224077369405 18.998 > 77 78 F 0.53738270690612 0.87500000000000 0.40224077369405 18.998 > 77 79 F 0.53738270690612 0.37500000000000 0.90224077369405 18.998 > 77 80 F 0.53738270690612 0.87500000000000 0.90224077369405 18.998 > 77 81 Na 0.77913769769674 0.12500000000000 0.25588547935306 22.990 > 81 82 Na 0.77913769769674 0.62500000000000 0.25588547935306 22.990 > 81 83 Na 0.77913769769674 0.12500000000000 0.75588547935306 22.990 > 81 84 Na 0.77913769769674 0.62500000000000 0.75588547935306 22.990 > 81 85 Na 0.72086230230326 0.37500000000000 0.00588547935306 22.990 > 85 86 Na 0.72086230230326 0.87500000000000 0.00588547935306 22.990 > 85 87 Na 0.72086230230326 0.37500000000000 0.50588547935307 22.990 > 85 88 Na 0.72086230230326 0.87500000000000 0.50588547935307 22.990 > 85 89 Na 0.22086230230326 0.37500000000000 0.24411452064694 22.990 > 89 90 Na 0.22086230230326 0.87500000000000 0.24411452064694 22.990 > 89 91 Na 0.22086230230326 0.37500000000000 0.74411452064694 22.990 > 89 92 Na 0.22086230230326 0.87500000000000 0.74411452064694 22.990 > 89 93 Na 0.27913769769674 0.12500000000000 0.49411452064694 22.990 > 93 94 Na 0.27913769769674 0.62500000000000 0.49411452064694 22.990 > 93 95 Na 0.27913769769674 0.12500000000000 0.99411452064694 22.990 > 93 96 Na 0.27913769769674 0.62500000000000 0.99411452064694 22.990 > 93 97 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 97 98 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 97 99 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 97 100 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 97 101 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 101 102 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 101 103 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 101 104 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 101 105 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 105 106 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 105 107 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 105 108 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 105 109 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 109 110 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 109 111 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 109 112 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.7787868 0.0000000 0.0000000 0.0000000 1.7876354 0.0000000 0.0000000 0.0000000 1.7963804 -------------------------- Born effective charges -------------------------- 1 Be 1.5775963 0.0000000 -0.0184733 0.0000000 1.6598082 0.0000000 -0.0129398 0.0000000 1.7325257 2 Be 1.5775963 0.0000000 -0.0184733 0.0000000 1.6598082 0.0000000 -0.0129398 0.0000000 1.7325257 3 Be 1.5775963 0.0000000 0.0184733 0.0000000 1.6598082 0.0000000 0.0129398 0.0000000 1.7325257 4 Be 1.5775963 0.0000000 0.0184733 0.0000000 1.6598082 0.0000000 0.0129398 0.0000000 1.7325257 5 F -0.8746971 0.1510489 0.0675619 0.1561288 -1.0774386 -0.0915316 0.0648610 -0.0864400 -0.8472388 6 F -0.8746971 0.1510489 -0.0675619 0.1561288 -1.0774386 0.0915316 -0.0648610 0.0864400 -0.8472388 7 F -0.8746971 -0.1510489 0.0675619 -0.1561288 -1.0774386 0.0915316 0.0648610 0.0864400 -0.8472388 8 F -0.8746971 -0.1510489 -0.0675619 -0.1561288 -1.0774386 -0.0915316 -0.0648610 -0.0864400 -0.8472388 9 F -0.8746971 -0.1510489 -0.0675619 -0.1561288 -1.0774386 -0.0915316 -0.0648610 -0.0864400 -0.8472388 10 F -0.8746971 0.1510489 0.0675619 0.1561288 -1.0774386 -0.0915316 0.0648610 -0.0864400 -0.8472388 11 F -0.8746971 -0.1510489 0.0675619 -0.1561288 -1.0774386 0.0915316 0.0648610 0.0864400 -0.8472388 12 F -0.8746971 0.1510489 -0.0675619 0.1561288 -1.0774386 0.0915316 -0.0648610 0.0864400 -0.8472388 13 F -0.7594741 0.0000000 0.0042566 0.0000000 -0.7726480 0.0000000 0.0065588 0.0000000 -1.2684489 14 F -0.7594741 0.0000000 -0.0042566 0.0000000 -0.7726480 0.0000000 -0.0065588 0.0000000 -1.2684489 15 F -0.7594741 0.0000000 0.0042566 0.0000000 -0.7726480 0.0000000 0.0065588 0.0000000 -1.2684489 16 F -0.7594741 0.0000000 -0.0042566 0.0000000 -0.7726480 0.0000000 -0.0065588 0.0000000 -1.2684489 17 F -1.1281554 0.0000000 -0.1058226 0.0000000 -0.8005257 0.0000000 -0.1026926 0.0000000 -0.8511323 18 F -1.1281554 0.0000000 0.1058226 0.0000000 -0.8005257 0.0000000 0.1026926 0.0000000 -0.8511323 19 F -1.1281554 0.0000000 -0.1058226 0.0000000 -0.8005257 0.0000000 -0.1026926 0.0000000 -0.8511323 20 F -1.1281554 0.0000000 0.1058226 0.0000000 -0.8005257 0.0000000 0.1026926 0.0000000 -0.8511323 21 Na 1.1077725 0.0000000 0.0127895 0.0000000 1.0497771 0.0000000 -0.0007252 0.0000000 0.9918634 22 Na 1.1077725 0.0000000 -0.0127895 0.0000000 1.0497771 0.0000000 0.0007252 0.0000000 0.9918634 23 Na 1.1077725 0.0000000 0.0127895 0.0000000 1.0497771 0.0000000 -0.0007252 0.0000000 0.9918634 24 Na 1.1077725 0.0000000 -0.0127895 0.0000000 1.0497771 0.0000000 0.0007252 0.0000000 0.9918634 25 Na 0.9516549 -0.0904805 -0.0211143 -0.0849614 1.0184656 0.0395095 -0.0071559 0.0152285 1.0896699 26 Na 0.9516549 -0.0904805 0.0211143 -0.0849614 1.0184656 -0.0395095 0.0071559 -0.0152285 1.0896699 27 Na 0.9516549 0.0904805 -0.0211143 0.0849614 1.0184656 -0.0395095 -0.0071559 -0.0152285 1.0896699 28 Na 0.9516549 0.0904805 0.0211143 0.0849614 1.0184656 0.0395095 0.0071559 0.0152285 1.0896699 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xzx) -0.00000002 (xzx) -0.00000002 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:29:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:29:48]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.951840580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.557402309999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.890280830000000 Atomic positions (fractional): 1 Be 0.09594124195997 0.25000000000000 0.42637744133214 9.012 2 Be 0.90405875804003 0.75000000000000 0.57362255866786 9.012 3 Be 0.59594124195997 0.25000000000000 0.07362255866786 9.012 4 Be 0.40405875804003 0.75000000000000 0.92637744133214 9.012 5 F 0.83919328268032 0.94193655912332 0.69700119455788 18.998 6 F 0.66080671731968 0.05806344087668 0.19700119455788 18.998 7 F 0.16080671731968 0.44193655912332 0.30299880544212 18.998 8 F 0.33919328268032 0.55806344087668 0.80299880544212 18.998 9 F 0.66080671731968 0.44193655912332 0.19700119455788 18.998 10 F 0.16080671731968 0.05806344087668 0.30299880544212 18.998 11 F 0.83919328268032 0.55806344087668 0.69700119455788 18.998 12 F 0.33919328268032 0.94193655912332 0.80299880544212 18.998 13 F 0.09393622100278 0.25000000000000 0.74298612073036 18.998 14 F 0.40606377899722 0.75000000000000 0.24298612073036 18.998 15 F 0.90606377899722 0.75000000000000 0.25701387926964 18.998 16 F 0.59393622100278 0.25000000000000 0.75701387926964 18.998 17 F 0.03738270690612 0.75000000000000 0.69551845261191 18.998 18 F 0.46261729309388 0.25000000000000 0.19551845261191 18.998 19 F 0.96261729309388 0.25000000000000 0.30448154738809 18.998 20 F 0.53738270690612 0.75000000000000 0.80448154738809 18.998 21 Na 0.77913769769674 0.25000000000000 0.51177095870613 22.990 22 Na 0.72086230230326 0.75000000000000 0.01177095870613 22.990 23 Na 0.22086230230326 0.75000000000000 0.48822904129387 22.990 24 Na 0.27913769769674 0.25000000000000 0.98822904129387 22.990 25 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 26 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 27 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 28 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.951840580000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.114804619999997 0.000000000000000 c 0.000000000000000 0.000000000000000 9.780561660000000 Atomic positions (fractional): 1 Be 0.09594124195997 0.12500000000000 0.21318872066607 9.012 > 1 2 Be 0.09594124195997 0.62500000000000 0.21318872066607 9.012 > 1 3 Be 0.09594124195997 0.12500000000000 0.71318872066607 9.012 > 1 4 Be 0.09594124195997 0.62500000000000 0.71318872066607 9.012 > 1 5 Be 0.90405875804003 0.37500000000000 0.28681127933393 9.012 > 5 6 Be 0.90405875804003 0.87500000000000 0.28681127933393 9.012 > 5 7 Be 0.90405875804003 0.37500000000000 0.78681127933393 9.012 > 5 8 Be 0.90405875804003 0.87500000000000 0.78681127933393 9.012 > 5 9 Be 0.59594124195997 0.12500000000000 0.03681127933393 9.012 > 9 10 Be 0.59594124195997 0.62500000000000 0.03681127933393 9.012 > 9 11 Be 0.59594124195997 0.12500000000000 0.53681127933393 9.012 > 9 12 Be 0.59594124195997 0.62500000000000 0.53681127933393 9.012 > 9 13 Be 0.40405875804003 0.37500000000000 0.46318872066607 9.012 > 13 14 Be 0.40405875804003 0.87500000000000 0.46318872066607 9.012 > 13 15 Be 0.40405875804003 0.37500000000000 0.96318872066607 9.012 > 13 16 Be 0.40405875804003 0.87500000000000 0.96318872066607 9.012 > 13 17 F 0.83919328268032 0.47096827956166 0.34850059727894 18.998 > 17 18 F 0.83919328268032 0.97096827956166 0.34850059727894 18.998 > 17 19 F 0.83919328268032 0.47096827956166 0.84850059727894 18.998 > 17 20 F 0.83919328268032 0.97096827956166 0.84850059727894 18.998 > 17 21 F 0.66080671731968 0.02903172043834 0.09850059727894 18.998 > 21 22 F 0.66080671731968 0.52903172043834 0.09850059727894 18.998 > 21 23 F 0.66080671731968 0.02903172043834 0.59850059727894 18.998 > 21 24 F 0.66080671731968 0.52903172043834 0.59850059727894 18.998 > 21 25 F 0.16080671731968 0.22096827956166 0.15149940272106 18.998 > 25 26 F 0.16080671731968 0.72096827956166 0.15149940272106 18.998 > 25 27 F 0.16080671731968 0.22096827956166 0.65149940272106 18.998 > 25 28 F 0.16080671731968 0.72096827956166 0.65149940272106 18.998 > 25 29 F 0.33919328268032 0.27903172043834 0.40149940272106 18.998 > 29 30 F 0.33919328268032 0.77903172043834 0.40149940272106 18.998 > 29 31 F 0.33919328268032 0.27903172043834 0.90149940272106 18.998 > 29 32 F 0.33919328268032 0.77903172043834 0.90149940272106 18.998 > 29 33 F 0.66080671731968 0.22096827956166 0.09850059727894 18.998 > 33 34 F 0.66080671731968 0.72096827956166 0.09850059727894 18.998 > 33 35 F 0.66080671731968 0.22096827956166 0.59850059727894 18.998 > 33 36 F 0.66080671731968 0.72096827956166 0.59850059727894 18.998 > 33 37 F 0.16080671731968 0.02903172043834 0.15149940272106 18.998 > 37 38 F 0.16080671731968 0.52903172043834 0.15149940272106 18.998 > 37 39 F 0.16080671731968 0.02903172043834 0.65149940272106 18.998 > 37 40 F 0.16080671731968 0.52903172043834 0.65149940272106 18.998 > 37 41 F 0.83919328268032 0.27903172043834 0.34850059727894 18.998 > 41 42 F 0.83919328268032 0.77903172043834 0.34850059727894 18.998 > 41 43 F 0.83919328268032 0.27903172043834 0.84850059727894 18.998 > 41 44 F 0.83919328268032 0.77903172043834 0.84850059727894 18.998 > 41 45 F 0.33919328268032 0.47096827956166 0.40149940272106 18.998 > 45 46 F 0.33919328268032 0.97096827956166 0.40149940272106 18.998 > 45 47 F 0.33919328268032 0.47096827956166 0.90149940272106 18.998 > 45 48 F 0.33919328268032 0.97096827956166 0.90149940272106 18.998 > 45 49 F 0.09393622100278 0.12500000000000 0.37149306036518 18.998 > 49 50 F 0.09393622100278 0.62500000000000 0.37149306036518 18.998 > 49 51 F 0.09393622100278 0.12500000000000 0.87149306036518 18.998 > 49 52 F 0.09393622100278 0.62500000000000 0.87149306036518 18.998 > 49 53 F 0.40606377899722 0.37500000000000 0.12149306036518 18.998 > 53 54 F 0.40606377899722 0.87500000000000 0.12149306036518 18.998 > 53 55 F 0.40606377899722 0.37500000000000 0.62149306036518 18.998 > 53 56 F 0.40606377899722 0.87500000000000 0.62149306036518 18.998 > 53 57 F 0.90606377899722 0.37500000000000 0.12850693963482 18.998 > 57 58 F 0.90606377899722 0.87500000000000 0.12850693963482 18.998 > 57 59 F 0.90606377899722 0.37500000000000 0.62850693963482 18.998 > 57 60 F 0.90606377899722 0.87500000000000 0.62850693963482 18.998 > 57 61 F 0.59393622100278 0.12500000000000 0.37850693963482 18.998 > 61 62 F 0.59393622100278 0.62500000000000 0.37850693963482 18.998 > 61 63 F 0.59393622100278 0.12500000000000 0.87850693963482 18.998 > 61 64 F 0.59393622100278 0.62500000000000 0.87850693963482 18.998 > 61 65 F 0.03738270690612 0.37500000000000 0.34775922630595 18.998 > 65 66 F 0.03738270690612 0.87500000000000 0.34775922630595 18.998 > 65 67 F 0.03738270690612 0.37500000000000 0.84775922630595 18.998 > 65 68 F 0.03738270690612 0.87500000000000 0.84775922630595 18.998 > 65 69 F 0.46261729309388 0.12500000000000 0.09775922630595 18.998 > 69 70 F 0.46261729309388 0.62500000000000 0.09775922630595 18.998 > 69 71 F 0.46261729309388 0.12500000000000 0.59775922630595 18.998 > 69 72 F 0.46261729309388 0.62500000000000 0.59775922630595 18.998 > 69 73 F 0.96261729309388 0.12500000000000 0.15224077369405 18.998 > 73 74 F 0.96261729309388 0.62500000000000 0.15224077369405 18.998 > 73 75 F 0.96261729309388 0.12500000000000 0.65224077369405 18.998 > 73 76 F 0.96261729309388 0.62500000000000 0.65224077369405 18.998 > 73 77 F 0.53738270690612 0.37500000000000 0.40224077369405 18.998 > 77 78 F 0.53738270690612 0.87500000000000 0.40224077369405 18.998 > 77 79 F 0.53738270690612 0.37500000000000 0.90224077369405 18.998 > 77 80 F 0.53738270690612 0.87500000000000 0.90224077369405 18.998 > 77 81 Na 0.77913769769674 0.12500000000000 0.25588547935306 22.990 > 81 82 Na 0.77913769769674 0.62500000000000 0.25588547935306 22.990 > 81 83 Na 0.77913769769674 0.12500000000000 0.75588547935306 22.990 > 81 84 Na 0.77913769769674 0.62500000000000 0.75588547935306 22.990 > 81 85 Na 0.72086230230326 0.37500000000000 0.00588547935306 22.990 > 85 86 Na 0.72086230230326 0.87500000000000 0.00588547935306 22.990 > 85 87 Na 0.72086230230326 0.37500000000000 0.50588547935307 22.990 > 85 88 Na 0.72086230230326 0.87500000000000 0.50588547935307 22.990 > 85 89 Na 0.22086230230326 0.37500000000000 0.24411452064694 22.990 > 89 90 Na 0.22086230230326 0.87500000000000 0.24411452064694 22.990 > 89 91 Na 0.22086230230326 0.37500000000000 0.74411452064694 22.990 > 89 92 Na 0.22086230230326 0.87500000000000 0.74411452064694 22.990 > 89 93 Na 0.27913769769674 0.12500000000000 0.49411452064694 22.990 > 93 94 Na 0.27913769769674 0.62500000000000 0.49411452064694 22.990 > 93 95 Na 0.27913769769674 0.12500000000000 0.99411452064694 22.990 > 93 96 Na 0.27913769769674 0.62500000000000 0.99411452064694 22.990 > 93 97 Na 0.50000000000000 0.25000000000000 0.25000000000000 22.990 > 97 98 Na 0.50000000000000 0.75000000000000 0.25000000000000 22.990 > 97 99 Na 0.50000000000000 0.25000000000000 0.75000000000000 22.990 > 97 100 Na 0.50000000000000 0.75000000000000 0.75000000000000 22.990 > 97 101 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 101 102 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 101 103 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 101 104 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 101 105 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 105 106 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 105 107 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 105 108 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 105 109 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 109 110 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 109 111 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 109 112 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.7787868 0.0000000 0.0000000 0.0000000 1.7876354 0.0000000 0.0000000 0.0000000 1.7963804 -------------------------- Born effective charges -------------------------- 1 Be 1.5775963 0.0000000 -0.0184733 0.0000000 1.6598082 0.0000000 -0.0129398 0.0000000 1.7325257 2 Be 1.5775963 0.0000000 -0.0184733 0.0000000 1.6598082 0.0000000 -0.0129398 0.0000000 1.7325257 3 Be 1.5775963 0.0000000 0.0184733 0.0000000 1.6598082 0.0000000 0.0129398 0.0000000 1.7325257 4 Be 1.5775963 0.0000000 0.0184733 0.0000000 1.6598082 0.0000000 0.0129398 0.0000000 1.7325257 5 F -0.8746971 0.1510489 0.0675619 0.1561288 -1.0774386 -0.0915316 0.0648610 -0.0864400 -0.8472388 6 F -0.8746971 0.1510489 -0.0675619 0.1561288 -1.0774386 0.0915316 -0.0648610 0.0864400 -0.8472388 7 F -0.8746971 -0.1510489 0.0675619 -0.1561288 -1.0774386 0.0915316 0.0648610 0.0864400 -0.8472388 8 F -0.8746971 -0.1510489 -0.0675619 -0.1561288 -1.0774386 -0.0915316 -0.0648610 -0.0864400 -0.8472388 9 F -0.8746971 -0.1510489 -0.0675619 -0.1561288 -1.0774386 -0.0915316 -0.0648610 -0.0864400 -0.8472388 10 F -0.8746971 0.1510489 0.0675619 0.1561288 -1.0774386 -0.0915316 0.0648610 -0.0864400 -0.8472388 11 F -0.8746971 -0.1510489 0.0675619 -0.1561288 -1.0774386 0.0915316 0.0648610 0.0864400 -0.8472388 12 F -0.8746971 0.1510489 -0.0675619 0.1561288 -1.0774386 0.0915316 -0.0648610 0.0864400 -0.8472388 13 F -0.7594741 0.0000000 0.0042566 0.0000000 -0.7726480 0.0000000 0.0065588 0.0000000 -1.2684489 14 F -0.7594741 0.0000000 -0.0042566 0.0000000 -0.7726480 0.0000000 -0.0065588 0.0000000 -1.2684489 15 F -0.7594741 0.0000000 0.0042566 0.0000000 -0.7726480 0.0000000 0.0065588 0.0000000 -1.2684489 16 F -0.7594741 0.0000000 -0.0042566 0.0000000 -0.7726480 0.0000000 -0.0065588 0.0000000 -1.2684489 17 F -1.1281554 0.0000000 -0.1058226 0.0000000 -0.8005257 0.0000000 -0.1026926 0.0000000 -0.8511323 18 F -1.1281554 0.0000000 0.1058226 0.0000000 -0.8005257 0.0000000 0.1026926 0.0000000 -0.8511323 19 F -1.1281554 0.0000000 -0.1058226 0.0000000 -0.8005257 0.0000000 -0.1026926 0.0000000 -0.8511323 20 F -1.1281554 0.0000000 0.1058226 0.0000000 -0.8005257 0.0000000 0.1026926 0.0000000 -0.8511323 21 Na 1.1077725 0.0000000 0.0127895 0.0000000 1.0497771 0.0000000 -0.0007252 0.0000000 0.9918634 22 Na 1.1077725 0.0000000 -0.0127895 0.0000000 1.0497771 0.0000000 0.0007252 0.0000000 0.9918634 23 Na 1.1077725 0.0000000 0.0127895 0.0000000 1.0497771 0.0000000 -0.0007252 0.0000000 0.9918634 24 Na 1.1077725 0.0000000 -0.0127895 0.0000000 1.0497771 0.0000000 0.0007252 0.0000000 0.9918634 25 Na 0.9516549 -0.0904805 -0.0211143 -0.0849614 1.0184656 0.0395095 -0.0071559 0.0152285 1.0896699 26 Na 0.9516549 -0.0904805 0.0211143 -0.0849614 1.0184656 -0.0395095 0.0071559 -0.0152285 1.0896699 27 Na 0.9516549 0.0904805 -0.0211143 0.0849614 1.0184656 -0.0395095 -0.0071559 -0.0152285 1.0896699 28 Na 0.9516549 0.0904805 0.0211143 0.0849614 1.0184656 0.0395095 0.0071559 0.0152285 1.0896699 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xzx) -0.00000002 (xzx) -0.00000002 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 303, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 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 1.782 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 6.275 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 6.682 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.570 ( 0.000 0.000 0.000) 0.000 7.612 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.132 ( 0.000 0.000 0.000) 0.000 8.144 ( 0.000 0.000 0.000) 0.000 8.627 ( 0.000 0.000 0.000) 0.000 8.927 ( 0.000 0.000 0.000) 0.000 9.002 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 9.588 ( 0.000 0.000 0.000) 0.000 10.773 ( 0.000 0.000 0.000) 0.000 10.774 ( 0.000 0.000 0.000) 0.000 10.787 ( 0.000 0.000 0.000) 0.000 11.128 ( 0.000 0.000 0.000) 0.000 11.200 ( 0.000 0.000 0.000) 0.000 11.448 ( 0.000 0.000 0.000) 0.000 11.492 ( 0.000 0.000 0.000) 0.000 11.507 ( 0.000 0.000 0.000) 0.000 12.016 ( 0.000 0.000 0.000) 0.000 12.115 ( 0.000 0.000 0.000) 0.000 12.217 ( 0.000 0.000 0.000) 0.000 12.408 ( 0.000 0.000 0.000) 0.000 15.998 ( 0.000 0.000 0.000) 0.000 16.010 ( 0.000 0.000 0.000) 0.000 16.041 ( 0.000 0.000 0.000) 0.000 16.178 ( 0.000 0.000 0.000) 0.000 22.774 ( 0.000 0.000 0.000) 0.000 22.789 ( 0.000 0.000 0.000) 0.000 22.800 ( 0.000 0.000 0.000) 0.000 23.119 ( 0.000 0.000 0.000) 0.000 23.355 ( 0.000 0.000 0.000) 0.000 23.631 ( 0.000 0.000 0.000) 0.000 24.340 ( 0.000 0.000 0.000) 0.000 24.817 ( 0.000 0.000 0.000) 0.000 24.991 ( 0.000 0.000 0.000) 0.000 25.008 ( 0.000 0.000 0.000) 0.000 25.270 ( 0.000 0.000 0.000) 0.000 25.326 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 27.129 0.000 0.000) 27.129 0.580 ( 31.546 0.000 0.000) 31.546 0.817 ( 44.063 0.000 0.000) 44.063 1.696 ( -10.402 0.000 0.000) 10.402 2.210 ( -24.656 0.000 0.000) 24.656 2.504 ( 1.769 0.000 0.000) 1.769 2.900 ( -25.717 0.000 0.000) 25.717 2.931 ( 13.453 0.000 0.000) 13.453 3.087 ( -7.791 0.000 0.000) 7.791 3.414 ( 21.056 0.000 0.000) 21.056 3.691 ( -12.130 0.000 0.000) 12.130 3.745 ( -0.471 0.000 0.000) 0.471 3.774 ( -2.044 0.000 0.000) 2.044 4.108 ( 4.380 0.000 0.000) 4.380 4.225 ( -0.532 0.000 0.000) 0.532 4.236 ( 4.299 0.000 0.000) 4.299 4.350 ( 11.120 0.000 0.000) 11.120 4.461 ( 5.548 0.000 0.000) 5.548 4.800 ( -12.577 0.000 0.000) 12.577 4.846 ( 0.453 0.000 0.000) 0.453 4.874 ( -5.870 0.000 0.000) 5.870 5.021 ( -2.387 0.000 0.000) 2.387 5.118 ( -2.027 0.000 0.000) 2.027 5.120 ( -2.168 0.000 0.000) 2.168 5.121 ( -10.192 0.000 0.000) 10.192 5.155 ( -0.273 0.000 0.000) 0.273 5.271 ( 8.301 0.000 0.000) 8.301 5.352 ( 2.768 0.000 0.000) 2.768 5.464 ( 10.966 0.000 0.000) 10.966 5.696 ( 7.427 0.000 0.000) 7.427 6.024 ( 1.632 0.000 0.000) 1.632 6.059 ( -1.396 0.000 0.000) 1.396 6.115 ( -7.588 0.000 0.000) 7.588 6.211 ( -0.660 0.000 0.000) 0.660 6.231 ( -3.604 0.000 0.000) 3.604 6.309 ( -3.272 0.000 0.000) 3.272 6.470 ( 2.344 0.000 0.000) 2.344 6.528 ( 1.044 0.000 0.000) 1.044 6.551 ( -0.540 0.000 0.000) 0.540 6.673 ( -1.158 0.000 0.000) 1.158 6.855 ( 0.167 0.000 0.000) 0.167 6.904 ( -7.055 0.000 0.000) 7.055 7.446 ( 15.912 0.000 0.000) 15.912 7.572 ( 0.273 0.000 0.000) 0.273 7.607 ( -0.498 0.000 0.000) 0.498 7.706 ( 2.403 0.000 0.000) 2.403 7.879 ( -2.055 0.000 0.000) 2.055 7.965 ( -3.409 0.000 0.000) 3.409 8.087 ( 1.427 0.000 0.000) 1.427 8.142 ( -0.314 0.000 0.000) 0.314 8.652 ( 2.869 0.000 0.000) 2.869 8.935 ( 0.845 0.000 0.000) 0.845 8.995 ( -0.675 0.000 0.000) 0.675 9.039 ( -6.388 0.000 0.000) 6.388 9.515 ( 0.994 0.000 0.000) 0.994 9.583 ( -0.787 0.000 0.000) 0.787 10.773 ( -0.022 0.000 0.000) 0.022 10.774 ( -0.040 0.000 0.000) 0.040 10.814 ( 2.925 0.000 0.000) 2.925 11.091 ( -3.936 0.000 0.000) 3.936 11.330 ( 2.317 0.000 0.000) 2.317 11.454 ( 0.643 0.000 0.000) 0.643 11.478 ( -1.431 0.000 0.000) 1.431 11.502 ( -0.549 0.000 0.000) 0.549 12.023 ( 0.758 0.000 0.000) 0.758 12.100 ( -1.515 0.000 0.000) 1.515 12.244 ( 2.546 0.000 0.000) 2.546 12.393 ( -1.585 0.000 0.000) 1.585 15.998 ( -0.005 0.000 0.000) 0.005 16.005 ( -0.374 0.000 0.000) 0.374 16.062 ( 1.724 0.000 0.000) 1.724 16.168 ( -1.124 0.000 0.000) 1.124 22.807 ( 3.520 0.000 0.000) 3.520 22.821 ( 3.388 0.000 0.000) 3.388 23.088 ( -3.305 0.000 0.000) 3.305 23.228 ( -10.034 0.000 0.000) 10.034 23.770 ( 11.304 0.000 0.000) 11.304 24.295 ( -4.850 0.000 0.000) 4.850 24.825 ( 0.878 0.000 0.000) 0.878 24.942 ( -3.107 0.000 0.000) 3.107 25.046 ( 2.049 0.000 0.000) 2.049 25.109 ( -0.441 0.000 0.000) 0.441 25.294 ( 2.480 0.000 0.000) 2.480 25.460 ( -1.789 0.000 0.000) 1.789 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 25.094 0.000 0.000) 25.094 1.148 ( 30.511 0.000 0.000) 30.511 1.404 ( -20.495 0.000 0.000) 20.495 1.563 ( 24.216 0.000 0.000) 24.216 1.748 ( -11.974 0.000 0.000) 11.974 2.326 ( -35.753 0.000 0.000) 35.753 2.645 ( 12.202 0.000 0.000) 12.202 2.889 ( -13.142 0.000 0.000) 13.142 3.187 ( 14.231 0.000 0.000) 14.231 3.446 ( -14.077 0.000 0.000) 14.077 3.710 ( 2.520 0.000 0.000) 2.520 3.734 ( -1.755 0.000 0.000) 1.755 3.841 ( 18.816 0.000 0.000) 18.816 4.167 ( -13.268 0.000 0.000) 13.268 4.172 ( 2.677 0.000 0.000) 2.677 4.208 ( -1.344 0.000 0.000) 1.344 4.587 ( 12.119 0.000 0.000) 12.119 4.599 ( 9.141 0.000 0.000) 9.141 4.702 ( 4.551 0.000 0.000) 4.551 4.749 ( -7.451 0.000 0.000) 7.451 4.770 ( -8.490 0.000 0.000) 8.490 4.903 ( -13.159 0.000 0.000) 13.159 5.015 ( 2.425 0.000 0.000) 2.425 5.071 ( -3.105 0.000 0.000) 3.105 5.117 ( 1.119 0.000 0.000) 1.119 5.140 ( -1.180 0.000 0.000) 1.180 5.373 ( 2.996 0.000 0.000) 2.996 5.389 ( 0.929 0.000 0.000) 0.929 5.700 ( 14.105 0.000 0.000) 14.105 5.849 ( 8.634 0.000 0.000) 8.634 5.943 ( -11.557 0.000 0.000) 11.557 5.990 ( -6.281 0.000 0.000) 6.281 6.074 ( 4.169 0.000 0.000) 4.169 6.186 ( -8.008 0.000 0.000) 8.008 6.188 ( -0.590 0.000 0.000) 0.590 6.195 ( -0.888 0.000 0.000) 0.888 6.510 ( 1.841 0.000 0.000) 1.841 6.536 ( -1.103 0.000 0.000) 1.103 6.568 ( 3.310 0.000 0.000) 3.310 6.632 ( -3.258 0.000 0.000) 3.258 6.855 ( 0.005 0.000 0.000) 0.005 6.859 ( 0.057 0.000 0.000) 0.057 7.581 ( 0.680 0.000 0.000) 0.680 7.595 ( -0.779 0.000 0.000) 0.779 7.705 ( 11.887 0.000 0.000) 11.887 7.762 ( 3.563 0.000 0.000) 3.563 7.828 ( -3.389 0.000 0.000) 3.389 7.874 ( -6.814 0.000 0.000) 6.814 8.113 ( 1.302 0.000 0.000) 1.302 8.132 ( -0.772 0.000 0.000) 0.772 8.739 ( 6.810 0.000 0.000) 6.810 8.890 ( -9.077 0.000 0.000) 9.077 8.955 ( 1.272 0.000 0.000) 1.272 8.978 ( -1.168 0.000 0.000) 1.168 9.538 ( 1.420 0.000 0.000) 1.420 9.564 ( -1.272 0.000 0.000) 1.272 10.772 ( -0.001 0.000 0.000) 0.001 10.773 ( -0.037 0.000 0.000) 0.037 10.891 ( 5.268 0.000 0.000) 5.268 10.997 ( -5.925 0.000 0.000) 5.925 11.384 ( 3.271 0.000 0.000) 3.271 11.440 ( -2.700 0.000 0.000) 2.700 11.469 ( 0.990 0.000 0.000) 0.990 11.488 ( -0.932 0.000 0.000) 0.932 12.043 ( 1.336 0.000 0.000) 1.336 12.071 ( -1.636 0.000 0.000) 1.636 12.298 ( 3.152 0.000 0.000) 3.152 12.353 ( -2.737 0.000 0.000) 2.737 15.998 ( 0.038 0.000 0.000) 0.038 16.000 ( -0.169 0.000 0.000) 0.169 16.099 ( 2.230 0.000 0.000) 2.230 16.139 ( -1.963 0.000 0.000) 1.963 22.901 ( 6.713 0.000 0.000) 6.713 22.904 ( 5.435 0.000 0.000) 5.435 23.006 ( -5.384 0.000 0.000) 5.384 23.048 ( -9.211 0.000 0.000) 9.211 23.982 ( 11.296 0.000 0.000) 11.296 24.169 ( -8.834 0.000 0.000) 8.834 24.849 ( 1.776 0.000 0.000) 1.776 24.889 ( -2.615 0.000 0.000) 2.615 25.077 ( 1.352 0.000 0.000) 1.352 25.097 ( -0.873 0.000 0.000) 0.873 25.351 ( 3.526 0.000 0.000) 3.526 25.414 ( -3.123 0.000 0.000) 3.123 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 0.000 27.681 0.000) 27.681 0.617 ( 0.000 32.505 0.000) 32.505 0.965 ( 0.000 49.762 0.000) 49.762 1.899 ( 0.000 11.640 0.000) 11.640 2.482 ( 0.000 -5.010 0.000) 5.010 2.490 ( 0.000 3.825 0.000) 3.825 2.659 ( 0.000 -7.700 0.000) 7.700 3.113 ( 0.000 -5.143 0.000) 5.143 3.175 ( 0.000 -0.252 0.000) 0.252 3.380 ( 0.000 17.718 0.000) 17.718 3.701 ( 0.000 -0.438 0.000) 0.438 3.870 ( 0.000 4.819 0.000) 4.819 3.897 ( 0.000 6.309 0.000) 6.309 4.047 ( 0.000 -9.189 0.000) 9.189 4.094 ( 0.000 -11.776 0.000) 11.776 4.232 ( 0.000 11.963 0.000) 11.963 4.310 ( 0.000 8.126 0.000) 8.126 4.476 ( 0.000 4.993 0.000) 4.993 4.719 ( 0.000 -11.678 0.000) 11.678 4.837 ( 0.000 -5.527 0.000) 5.527 4.894 ( 0.000 -5.467 0.000) 5.467 4.983 ( 0.000 -16.801 0.000) 16.801 4.983 ( 0.000 4.332 0.000) 4.332 5.128 ( 0.000 1.193 0.000) 1.193 5.154 ( 0.000 0.658 0.000) 0.658 5.249 ( 0.000 6.675 0.000) 6.675 5.317 ( 0.000 0.031 0.000) 0.031 5.343 ( 0.000 12.940 0.000) 12.940 5.534 ( 0.000 6.380 0.000) 6.380 5.788 ( 0.000 -0.183 0.000) 0.183 5.865 ( 0.000 9.094 0.000) 9.094 6.064 ( 0.000 -0.644 0.000) 0.644 6.133 ( 0.000 -8.545 0.000) 8.545 6.156 ( 0.000 -4.232 0.000) 4.232 6.224 ( 0.000 -3.996 0.000) 3.996 6.324 ( 0.000 -0.513 0.000) 0.513 6.420 ( 0.000 -2.511 0.000) 2.511 6.507 ( 0.000 -1.104 0.000) 1.104 6.597 ( 0.000 -3.657 0.000) 3.657 6.704 ( 0.000 2.071 0.000) 2.071 6.790 ( 0.000 -3.868 0.000) 3.868 7.091 ( 0.000 1.274 0.000) 1.274 7.146 ( 0.000 -4.084 0.000) 4.084 7.206 ( 0.000 -2.547 0.000) 2.547 7.671 ( 0.000 4.805 0.000) 4.805 7.732 ( 0.000 4.654 0.000) 4.654 7.888 ( 0.000 -1.029 0.000) 1.029 8.077 ( 0.000 0.642 0.000) 0.642 8.148 ( 0.000 0.668 0.000) 0.668 8.151 ( 0.000 1.993 0.000) 1.993 8.586 ( 0.000 -3.995 0.000) 3.995 8.600 ( 0.000 -2.914 0.000) 2.914 8.928 ( 0.000 0.233 0.000) 0.233 9.307 ( 0.000 -2.805 0.000) 2.805 9.466 ( 0.000 -4.003 0.000) 4.003 9.553 ( 0.000 -3.548 0.000) 3.548 10.783 ( 0.000 1.160 0.000) 1.160 10.805 ( 0.000 1.768 0.000) 1.768 11.097 ( 0.000 -0.197 0.000) 0.197 11.176 ( 0.000 3.617 0.000) 3.617 11.198 ( 0.000 -0.231 0.000) 0.231 11.447 ( 0.000 -0.138 0.000) 0.138 11.492 ( 0.000 0.034 0.000) 0.034 11.527 ( 0.000 1.809 0.000) 1.809 12.031 ( 0.000 1.488 0.000) 1.488 12.119 ( 0.000 0.407 0.000) 0.407 12.213 ( 0.000 -0.423 0.000) 0.423 12.393 ( 0.000 -1.608 0.000) 1.608 16.006 ( 0.000 0.796 0.000) 0.796 16.012 ( 0.000 0.205 0.000) 0.205 16.040 ( 0.000 -0.113 0.000) 0.113 16.174 ( 0.000 -0.420 0.000) 0.420 22.778 ( 0.000 -1.085 0.000) 1.085 22.779 ( 0.000 -2.001 0.000) 2.001 22.853 ( 0.000 -18.023 0.000) 18.023 23.251 ( 0.000 -10.312 0.000) 10.312 23.960 ( 0.000 24.362 0.000) 24.362 24.396 ( 0.000 5.568 0.000) 5.568 24.817 ( 0.000 0.098 0.000) 0.098 24.989 ( 0.000 -0.291 0.000) 0.291 25.008 ( 0.000 0.048 0.000) 0.048 25.275 ( 0.000 0.370 0.000) 0.370 25.311 ( 0.000 -1.510 0.000) 1.510 25.448 ( 0.000 -1.734 0.000) 1.734 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 14.944 18.221 0.000) 23.565 0.842 ( 21.158 23.354 0.000) 31.513 1.307 ( 29.641 38.045 0.000) 48.229 1.779 ( -13.459 7.890 0.000) 15.601 2.258 ( -21.858 5.357 0.000) 22.504 2.438 ( 1.121 -3.775 0.000) 3.938 2.790 ( 5.081 -5.434 0.000) 7.440 3.051 ( -7.072 -5.449 0.000) 8.928 3.225 ( -11.380 21.605 0.000) 24.419 3.373 ( 17.885 -3.134 0.000) 18.158 3.615 ( -8.133 -0.399 0.000) 8.142 3.777 ( -4.731 -2.481 0.000) 5.342 3.898 ( -1.232 9.712 0.000) 9.790 4.130 ( 2.348 -11.430 0.000) 11.669 4.207 ( 0.403 9.147 0.000) 9.156 4.208 ( 9.725 -5.936 0.000) 11.393 4.323 ( 2.345 7.929 0.000) 8.268 4.525 ( 5.102 4.074 0.000) 6.529 4.721 ( -0.978 -13.527 0.000) 13.562 4.787 ( -5.461 -8.986 0.000) 10.515 4.788 ( -8.153 -0.479 0.000) 8.167 4.959 ( -4.899 -2.928 0.000) 5.707 5.021 ( 3.281 2.353 0.000) 4.037 5.129 ( -0.707 0.487 0.000) 0.859 5.150 ( -0.183 1.032 0.000) 1.048 5.277 ( 0.468 -0.763 0.000) 0.895 5.400 ( 8.561 0.420 0.000) 8.572 5.402 ( 4.832 10.416 0.000) 11.483 5.500 ( -2.460 11.676 0.000) 11.933 5.730 ( 3.070 1.645 0.000) 3.482 5.970 ( 4.595 -0.834 0.000) 4.670 6.047 ( -3.262 -1.859 0.000) 3.754 6.075 ( -6.363 -3.143 0.000) 7.097 6.134 ( 0.111 -7.944 0.000) 7.945 6.196 ( -2.860 -3.300 0.000) 4.367 6.291 ( -4.389 -2.186 0.000) 4.903 6.436 ( 1.245 -3.342 0.000) 3.566 6.520 ( 1.345 -1.074 0.000) 1.721 6.556 ( -2.557 -1.540 0.000) 2.985 6.669 ( -2.370 -0.839 0.000) 2.514 6.838 ( 2.698 -1.142 0.000) 2.930 6.931 ( -5.673 2.503 0.000) 6.200 7.358 ( 10.675 -6.165 0.000) 12.327 7.368 ( 9.245 -10.317 0.000) 13.853 7.701 ( 3.807 6.403 0.000) 7.450 7.742 ( 1.207 4.151 0.000) 4.323 7.873 ( -1.580 -0.629 0.000) 1.701 8.079 ( -4.303 3.906 0.000) 5.812 8.102 ( 0.678 2.408 0.000) 2.502 8.150 ( 0.065 0.972 0.000) 0.974 8.606 ( 2.226 -4.402 0.000) 4.933 8.690 ( 5.213 -10.579 0.000) 11.794 8.940 ( 1.339 0.532 0.000) 1.441 9.223 ( -7.593 1.854 0.000) 7.816 9.475 ( 0.959 -4.001 0.000) 4.115 9.544 ( -0.938 -3.519 0.000) 3.642 10.768 ( -0.582 0.320 0.000) 0.664 10.847 ( 3.612 2.697 0.000) 4.508 10.901 ( -9.576 6.651 0.000) 11.659 11.126 ( -3.940 3.133 0.000) 5.033 11.290 ( 3.848 -2.072 0.000) 4.370 11.470 ( -2.153 -0.354 0.000) 2.182 11.474 ( 1.731 0.633 0.000) 1.843 11.530 ( -0.013 2.014 0.000) 2.014 12.037 ( 0.696 1.432 0.000) 1.592 12.106 ( -1.259 0.596 0.000) 1.393 12.238 ( 2.396 -0.578 0.000) 2.465 12.379 ( -1.494 -1.519 0.000) 2.131 16.005 ( -0.027 0.774 0.000) 0.774 16.008 ( -0.248 0.309 0.000) 0.396 16.060 ( 1.747 -0.183 0.000) 1.756 16.164 ( -1.106 -0.401 0.000) 1.177 22.593 ( -3.642 -4.835 0.000) 6.054 22.805 ( -4.816 -17.332 0.000) 17.988 22.987 ( 7.624 0.206 0.000) 7.627 23.237 ( -1.701 -7.047 0.000) 7.249 24.007 ( 4.861 20.798 0.000) 21.358 24.357 ( -4.069 6.517 0.000) 7.683 24.834 ( 1.467 0.463 0.000) 1.538 24.950 ( -2.629 0.830 0.000) 2.757 25.039 ( 1.877 -0.864 0.000) 2.067 25.196 ( -6.454 3.522 0.000) 7.353 25.299 ( 2.452 0.357 0.000) 2.478 25.452 ( -1.024 -1.184 0.000) 1.566 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 23.301 5.767 0.000) 24.004 1.274 ( 20.252 12.212 0.000) 23.649 1.459 ( -15.662 6.389 0.000) 16.915 1.784 ( -19.365 13.314 0.000) 23.500 1.915 ( 25.645 22.157 0.000) 33.891 2.414 ( -16.456 8.439 0.000) 18.494 2.708 ( 0.736 3.653 0.000) 3.726 2.874 ( -11.479 -3.422 0.000) 11.978 3.236 ( 9.809 7.678 0.000) 12.457 3.436 ( -10.930 2.006 0.000) 11.113 3.665 ( 9.674 -6.934 0.000) 11.902 3.726 ( -1.298 -3.334 0.000) 3.578 3.904 ( 5.909 7.786 0.000) 9.774 4.088 ( -8.467 -5.216 0.000) 9.945 4.243 ( 2.495 6.721 0.000) 7.169 4.277 ( -0.597 4.378 0.000) 4.419 4.440 ( 8.822 -8.153 0.000) 12.012 4.610 ( -9.212 -12.714 0.000) 15.700 4.642 ( 6.671 -0.585 0.000) 6.697 4.722 ( 2.594 3.544 0.000) 4.392 4.729 ( -2.745 -8.775 0.000) 9.194 4.833 ( -7.490 3.369 0.000) 8.212 5.084 ( 3.173 2.214 0.000) 3.869 5.122 ( 0.105 4.516 0.000) 4.517 5.137 ( -0.668 0.001 0.000) 0.668 5.198 ( -6.113 5.906 0.000) 8.500 5.471 ( 2.162 8.427 0.000) 8.700 5.478 ( 1.125 8.379 0.000) 8.454 5.639 ( 13.499 -4.495 0.000) 14.228 5.848 ( 8.270 -0.753 0.000) 8.305 5.879 ( -12.018 -5.036 0.000) 13.030 5.991 ( -6.234 -0.819 0.000) 6.287 6.049 ( 4.783 -1.523 0.000) 5.020 6.137 ( 0.320 -6.274 0.000) 6.282 6.151 ( -1.515 -4.157 0.000) 4.424 6.163 ( -7.822 -2.095 0.000) 8.097 6.467 ( 2.214 -4.059 0.000) 4.624 6.511 ( -2.490 -2.814 0.000) 3.757 6.562 ( 3.021 -0.950 0.000) 3.167 6.619 ( -3.045 -1.545 0.000) 3.414 6.877 ( 1.401 1.688 0.000) 2.194 6.890 ( -0.430 3.086 0.000) 3.116 7.467 ( 2.380 -8.629 0.000) 8.951 7.471 ( 2.155 -8.102 0.000) 8.384 7.775 ( 2.270 2.634 0.000) 3.477 7.799 ( 2.850 4.540 0.000) 5.361 7.855 ( 2.936 3.079 0.000) 4.254 7.974 ( -6.635 5.847 0.000) 8.844 8.129 ( 1.388 1.633 0.000) 2.143 8.147 ( -0.501 1.483 0.000) 1.565 8.666 ( 3.995 -6.401 0.000) 7.545 8.724 ( -1.344 -10.106 0.000) 10.195 8.982 ( 3.522 1.945 0.000) 4.023 9.079 ( -7.137 3.870 0.000) 8.119 9.498 ( 1.377 -3.976 0.000) 4.208 9.523 ( -1.329 -3.813 0.000) 4.038 10.769 ( 0.637 0.350 0.000) 0.727 10.797 ( -2.883 2.497 0.000) 3.814 10.930 ( 5.309 3.246 0.000) 6.222 11.034 ( -5.782 3.223 0.000) 6.619 11.357 ( 3.645 -1.556 0.000) 3.964 11.420 ( -3.161 -1.029 0.000) 3.324 11.501 ( 1.341 1.808 0.000) 2.251 11.522 ( -0.838 2.166 0.000) 2.323 12.055 ( 1.221 1.265 0.000) 1.758 12.080 ( -1.467 0.988 0.000) 1.768 12.289 ( 2.952 -0.911 0.000) 3.090 12.341 ( -2.570 -1.266 0.000) 2.865 16.005 ( -0.017 0.696 0.000) 0.696 16.005 ( -0.066 0.538 0.000) 0.542 16.097 ( 2.180 -0.257 0.000) 2.195 16.135 ( -1.926 -0.345 0.000) 1.957 22.606 ( 3.769 -11.639 0.000) 12.234 22.700 ( -5.989 -15.293 0.000) 16.424 23.099 ( 5.276 1.722 0.000) 5.550 23.185 ( -3.951 -1.400 0.000) 4.192 24.123 ( 7.322 14.220 0.000) 15.995 24.256 ( -6.786 9.233 0.000) 11.459 24.865 ( 1.890 1.256 0.000) 2.269 24.904 ( -2.389 1.390 0.000) 2.764 25.073 ( 1.982 -0.590 0.000) 2.068 25.116 ( -2.958 1.182 0.000) 3.186 25.355 ( 3.383 0.168 0.000) 3.387 25.414 ( -2.870 -0.267 0.000) 2.882 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.000 27.409 0.000) 27.409 1.240 ( 0.000 32.749 0.000) 32.749 1.881 ( 0.000 45.958 0.000) 45.958 2.188 ( 0.000 17.006 0.000) 17.006 2.393 ( 0.000 -2.796 0.000) 2.796 2.520 ( 0.000 -6.533 0.000) 6.533 2.601 ( 0.000 7.728 0.000) 7.728 2.895 ( 0.000 -16.745 0.000) 16.745 3.174 ( 0.000 -0.308 0.000) 0.308 3.601 ( 0.000 -4.212 0.000) 4.212 3.610 ( 0.000 -24.851 0.000) 24.851 3.800 ( 0.000 9.279 0.000) 9.279 4.007 ( 0.000 13.530 0.000) 13.530 4.028 ( 0.000 5.602 0.000) 5.602 4.168 ( 0.000 12.327 0.000) 12.327 4.427 ( 0.000 -17.693 0.000) 17.693 4.476 ( 0.000 12.692 0.000) 12.692 4.511 ( 0.000 11.667 0.000) 11.667 4.561 ( 0.000 3.730 0.000) 3.730 4.706 ( 0.000 -10.546 0.000) 10.546 4.744 ( 0.000 -4.457 0.000) 4.457 4.830 ( 0.000 -1.123 0.000) 1.123 5.065 ( 0.000 3.578 0.000) 3.578 5.129 ( 0.000 -1.203 0.000) 1.203 5.200 ( 0.000 4.217 0.000) 4.217 5.310 ( 0.000 -0.944 0.000) 0.944 5.388 ( 0.000 7.854 0.000) 7.854 5.567 ( 0.000 10.102 0.000) 10.102 5.587 ( 0.000 0.852 0.000) 0.852 5.764 ( 0.000 -4.273 0.000) 4.273 5.928 ( 0.000 -10.095 0.000) 10.095 6.012 ( 0.000 -6.008 0.000) 6.008 6.064 ( 0.000 -4.754 0.000) 4.754 6.084 ( 0.000 12.041 0.000) 12.041 6.160 ( 0.000 -1.995 0.000) 1.995 6.287 ( 0.000 -2.880 0.000) 2.880 6.336 ( 0.000 -6.497 0.000) 6.497 6.470 ( 0.000 -2.772 0.000) 2.772 6.494 ( 0.000 -7.326 0.000) 7.326 6.696 ( 0.000 -5.680 0.000) 5.680 6.758 ( 0.000 3.568 0.000) 3.568 7.081 ( 0.000 -2.221 0.000) 2.221 7.114 ( 0.000 0.850 0.000) 0.850 7.140 ( 0.000 -4.224 0.000) 4.224 7.747 ( 0.000 2.662 0.000) 2.662 7.835 ( 0.000 5.579 0.000) 5.579 7.861 ( 0.000 -1.760 0.000) 1.760 8.084 ( 0.000 -0.321 0.000) 0.321 8.182 ( 0.000 2.946 0.000) 2.946 8.208 ( 0.000 4.025 0.000) 4.025 8.492 ( 0.000 -5.285 0.000) 5.285 8.533 ( 0.000 -3.630 0.000) 3.630 8.941 ( 0.000 1.313 0.000) 1.313 9.244 ( 0.000 -3.259 0.000) 3.259 9.362 ( 0.000 -6.659 0.000) 6.659 9.459 ( 0.000 -6.048 0.000) 6.048 10.824 ( 0.000 3.089 0.000) 3.089 10.851 ( 0.000 2.856 0.000) 2.856 11.105 ( 0.000 0.960 0.000) 0.960 11.191 ( 0.000 -0.538 0.000) 0.538 11.252 ( 0.000 4.167 0.000) 4.167 11.441 ( 0.000 -0.563 0.000) 0.563 11.491 ( 0.000 -0.111 0.000) 0.111 11.557 ( 0.000 0.898 0.000) 0.898 12.072 ( 0.000 2.826 0.000) 2.826 12.130 ( 0.000 0.734 0.000) 0.734 12.202 ( 0.000 -0.764 0.000) 0.764 12.349 ( 0.000 -2.882 0.000) 2.882 16.018 ( 0.000 0.318 0.000) 0.318 16.029 ( 0.000 1.600 0.000) 1.600 16.037 ( 0.000 -0.176 0.000) 0.176 16.161 ( 0.000 -0.923 0.000) 0.923 22.570 ( 0.000 -10.797 0.000) 10.797 22.735 ( 0.000 -2.292 0.000) 2.292 22.750 ( 0.000 -1.738 0.000) 1.738 22.999 ( 0.000 -15.026 0.000) 15.026 24.409 ( 0.000 21.355 0.000) 21.355 24.534 ( 0.000 8.341 0.000) 8.341 24.821 ( 0.000 0.256 0.000) 0.256 24.977 ( 0.000 -0.988 0.000) 0.988 25.014 ( 0.000 0.706 0.000) 0.706 25.274 ( 0.000 -0.825 0.000) 0.825 25.274 ( 0.000 -2.127 0.000) 2.127 25.398 ( 0.000 -3.389 0.000) 3.389 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 3.632 25.381 0.000) 25.640 1.358 ( 12.152 29.386 0.000) 31.800 1.948 ( -19.390 8.531 0.000) 21.183 2.078 ( 18.871 40.898 0.000) 45.042 2.413 ( -17.385 10.621 0.000) 20.372 2.418 ( 4.414 0.770 0.000) 4.480 2.707 ( 11.140 -1.327 0.000) 11.219 2.839 ( -5.726 -16.011 0.000) 17.004 3.301 ( 10.631 -4.766 0.000) 11.650 3.534 ( -1.919 -15.004 0.000) 15.127 3.673 ( -3.632 7.986 0.000) 8.773 3.722 ( -6.970 9.830 0.000) 12.050 3.872 ( -2.837 -4.053 0.000) 4.947 4.072 ( 2.073 7.395 0.000) 7.680 4.251 ( 3.128 7.827 0.000) 8.429 4.400 ( -1.889 -6.811 0.000) 7.068 4.403 ( -5.082 -2.004 0.000) 5.463 4.524 ( 0.728 11.400 0.000) 11.423 4.587 ( 2.259 2.358 0.000) 3.265 4.620 ( -2.747 -6.751 0.000) 7.288 4.798 ( -2.225 1.806 0.000) 2.866 4.901 ( 5.851 -1.825 0.000) 6.129 5.089 ( 3.481 2.770 0.000) 4.449 5.131 ( 0.484 -0.396 0.000) 0.625 5.201 ( 0.202 4.358 0.000) 4.362 5.267 ( -3.377 -0.381 0.000) 3.398 5.444 ( 6.839 4.667 0.000) 8.280 5.592 ( 2.205 8.545 0.000) 8.825 5.649 ( 3.806 3.438 0.000) 5.129 5.733 ( -1.937 -2.221 0.000) 2.947 5.932 ( 0.721 -11.233 0.000) 11.256 5.963 ( -6.106 -6.003 0.000) 8.563 6.018 ( -4.026 -4.176 0.000) 5.800 6.054 ( -1.540 8.658 0.000) 8.794 6.132 ( -3.104 -2.910 0.000) 4.255 6.234 ( -4.792 -2.777 0.000) 5.539 6.341 ( 0.028 -6.816 0.000) 6.816 6.479 ( -1.681 -6.393 0.000) 6.610 6.483 ( 1.494 -2.872 0.000) 3.237 6.622 ( -4.279 -4.155 0.000) 5.964 6.841 ( 5.221 1.780 0.000) 5.516 6.985 ( -3.191 2.952 0.000) 4.347 7.222 ( 6.558 -6.269 0.000) 9.072 7.251 ( 6.812 -4.961 0.000) 8.427 7.795 ( 5.141 2.967 0.000) 5.936 7.836 ( 0.217 5.188 0.000) 5.192 7.859 ( -0.240 -0.678 0.000) 0.719 8.094 ( 0.330 -0.731 0.000) 0.803 8.180 ( -2.269 4.625 0.000) 5.151 8.184 ( 0.220 2.750 0.000) 2.758 8.506 ( 1.433 -5.454 0.000) 5.639 8.550 ( 1.292 -5.209 0.000) 5.367 8.958 ( 1.898 1.484 0.000) 2.409 9.205 ( -4.005 -2.076 0.000) 4.511 9.373 ( 1.124 -6.500 0.000) 6.596 9.455 ( -0.711 -5.771 0.000) 5.815 10.800 ( -0.931 2.998 0.000) 3.139 10.903 ( 4.116 2.920 0.000) 5.046 10.992 ( -8.433 3.760 0.000) 9.233 11.174 ( -3.266 0.981 0.000) 3.410 11.282 ( 2.939 1.547 0.000) 3.322 11.466 ( -2.445 -0.007 0.000) 2.445 11.471 ( 2.486 -0.798 0.000) 2.611 11.557 ( -0.210 0.533 0.000) 0.573 12.077 ( 0.526 2.717 0.000) 2.767 12.122 ( -0.726 1.070 0.000) 1.293 12.223 ( 2.006 -1.047 0.000) 2.263 12.338 ( -1.214 -2.699 0.000) 2.959 16.016 ( 0.050 0.532 0.000) 0.534 16.027 ( -0.118 1.532 0.000) 1.537 16.055 ( 1.620 -0.319 0.000) 1.651 16.152 ( -1.033 -0.867 0.000) 1.348 22.542 ( -2.652 -9.499 0.000) 9.862 22.562 ( -7.647 0.518 0.000) 7.665 22.914 ( 7.283 -6.134 0.000) 9.522 23.015 ( 1.390 -14.369 0.000) 14.437 24.416 ( 0.836 20.154 0.000) 20.171 24.518 ( -1.680 9.517 0.000) 9.664 24.842 ( 2.098 0.407 0.000) 2.137 24.974 ( -1.087 1.735 0.000) 2.047 25.013 ( 0.821 -1.799 0.000) 1.977 25.215 ( -5.035 -0.592 0.000) 5.070 25.296 ( 2.241 -0.999 0.000) 2.453 25.408 ( 0.077 -3.432 0.000) 3.433 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 14.302 17.133 0.000) 22.318 1.534 ( -12.628 13.291 0.000) 18.333 1.697 ( 11.888 19.332 0.000) 22.695 2.050 ( -21.023 16.200 0.000) 26.540 2.464 ( 20.315 31.330 0.000) 37.340 2.532 ( 7.248 -2.256 0.000) 7.591 2.710 ( -7.228 -13.334 0.000) 15.167 2.777 ( -6.026 9.459 0.000) 11.215 3.467 ( 5.850 -12.278 0.000) 13.600 3.521 ( -2.729 -11.772 0.000) 12.084 3.534 ( -1.398 15.993 0.000) 16.054 3.589 ( -6.503 11.871 0.000) 13.536 3.962 ( 7.010 -11.703 0.000) 13.642 4.054 ( -3.177 3.938 0.000) 5.060 4.261 ( -0.389 2.304 0.000) 2.337 4.303 ( -5.146 -7.550 0.000) 9.137 4.431 ( 4.372 2.594 0.000) 5.084 4.505 ( -2.964 8.824 0.000) 9.308 4.600 ( 0.354 -3.104 0.000) 3.125 4.613 ( -0.067 -1.269 0.000) 1.271 4.806 ( 3.667 4.512 0.000) 5.814 4.896 ( -4.545 2.837 0.000) 5.358 5.133 ( 0.853 2.842 0.000) 2.967 5.144 ( 0.120 0.476 0.000) 0.491 5.222 ( 2.734 5.823 0.000) 6.433 5.265 ( 0.196 0.835 0.000) 0.858 5.590 ( 8.874 0.675 0.000) 8.899 5.625 ( 0.990 6.078 0.000) 6.158 5.640 ( -0.691 6.713 0.000) 6.748 5.792 ( -11.301 -2.890 0.000) 11.665 5.807 ( 7.602 -3.722 0.000) 8.464 5.938 ( -5.542 -6.072 0.000) 8.221 5.963 ( 2.804 -10.939 0.000) 11.293 6.042 ( -5.825 -5.966 0.000) 8.338 6.061 ( 2.354 3.576 0.000) 4.281 6.133 ( -5.294 0.121 0.000) 5.295 6.365 ( 2.845 -6.579 0.000) 7.168 6.429 ( -3.614 -5.850 0.000) 6.876 6.521 ( 2.348 -3.503 0.000) 4.217 6.563 ( -2.437 -4.454 0.000) 5.078 6.919 ( 3.151 2.774 0.000) 4.199 6.955 ( -1.119 3.581 0.000) 3.752 7.314 ( 2.932 -7.279 0.000) 7.847 7.326 ( 1.555 -7.005 0.000) 7.175 7.843 ( 0.480 3.893 0.000) 3.923 7.852 ( -0.455 1.791 0.000) 1.848 7.919 ( 7.618 2.444 0.000) 8.000 8.045 ( -5.600 1.320 0.000) 5.753 8.171 ( 0.942 2.921 0.000) 3.069 8.185 ( -0.337 2.491 0.000) 2.514 8.539 ( 1.832 -6.189 0.000) 6.454 8.561 ( -0.338 -6.661 0.000) 6.670 9.015 ( 4.382 1.629 0.000) 4.675 9.111 ( -5.755 0.386 0.000) 5.768 9.400 ( 1.710 -6.065 0.000) 6.302 9.432 ( -1.670 -5.631 0.000) 5.874 10.804 ( 1.516 3.363 0.000) 3.689 10.863 ( -5.176 4.243 0.000) 6.692 10.990 ( 5.289 2.648 0.000) 5.915 11.090 ( -5.426 2.061 0.000) 5.804 11.344 ( 3.692 0.307 0.000) 3.705 11.411 ( -3.502 0.037 0.000) 3.502 11.514 ( 2.064 -0.555 0.000) 2.137 11.544 ( -1.241 -0.046 0.000) 1.242 12.090 ( 0.859 2.365 0.000) 2.516 12.107 ( -0.917 1.762 0.000) 1.986 12.265 ( 2.430 -1.598 0.000) 2.909 12.307 ( -2.088 -2.213 0.000) 3.042 16.020 ( 0.270 0.946 0.000) 0.983 16.024 ( -0.226 1.317 0.000) 1.336 16.090 ( 2.028 -0.514 0.000) 2.092 16.125 ( -1.794 -0.714 0.000) 1.931 22.481 ( -1.457 -2.062 0.000) 2.525 22.492 ( -2.216 -6.215 0.000) 6.598 23.007 ( 3.023 -9.190 0.000) 9.674 23.032 ( 0.071 -12.218 0.000) 12.218 24.440 ( 1.812 16.866 0.000) 16.964 24.480 ( -2.320 12.732 0.000) 12.941 24.888 ( 2.716 1.079 0.000) 2.922 24.937 ( -2.567 1.955 0.000) 3.227 25.052 ( 3.161 -1.447 0.000) 3.477 25.123 ( -4.619 -0.256 0.000) 4.626 25.345 ( 2.796 -1.602 0.000) 3.223 25.390 ( -1.915 -2.546 0.000) 3.186 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 26.564 0.000) 26.564 1.860 ( 0.000 31.994 0.000) 31.994 2.310 ( 0.000 -0.583 0.000) 0.583 2.416 ( 0.000 -4.069 0.000) 4.069 2.504 ( 0.000 -19.163 0.000) 19.163 2.597 ( 0.000 19.983 0.000) 19.983 2.718 ( 0.000 37.058 0.000) 37.058 2.778 ( 0.000 10.539 0.000) 10.539 3.086 ( 0.000 -29.287 0.000) 29.287 3.131 ( 0.000 -4.905 0.000) 4.905 3.348 ( 0.000 -17.498 0.000) 17.498 3.929 ( 0.000 -20.891 0.000) 20.891 3.978 ( 0.000 8.078 0.000) 8.078 4.180 ( 0.000 -4.101 0.000) 4.101 4.367 ( 0.000 16.716 0.000) 16.716 4.393 ( 0.000 9.984 0.000) 9.984 4.555 ( 0.000 -0.167 0.000) 0.167 4.622 ( 0.000 3.130 0.000) 3.130 4.670 ( 0.000 3.434 0.000) 3.434 4.673 ( 0.000 -3.098 0.000) 3.098 4.781 ( 0.000 14.741 0.000) 14.741 4.890 ( 0.000 7.688 0.000) 7.688 5.091 ( 0.000 -2.552 0.000) 2.552 5.114 ( 0.000 1.842 0.000) 1.842 5.274 ( 0.000 -2.780 0.000) 2.780 5.308 ( 0.000 7.429 0.000) 7.429 5.454 ( 0.000 -9.774 0.000) 9.774 5.601 ( 0.000 0.986 0.000) 0.986 5.606 ( 0.000 -1.535 0.000) 1.535 5.710 ( 0.000 1.809 0.000) 1.809 5.848 ( 0.000 -7.047 0.000) 7.047 5.893 ( 0.000 5.200 0.000) 5.200 5.993 ( 0.000 -2.575 0.000) 2.575 6.115 ( 0.000 -3.693 0.000) 3.693 6.179 ( 0.000 -9.323 0.000) 9.323 6.263 ( 0.000 1.508 0.000) 1.508 6.291 ( 0.000 8.519 0.000) 8.519 6.317 ( 0.000 -10.229 0.000) 10.229 6.405 ( 0.000 -4.002 0.000) 4.002 6.581 ( 0.000 -6.339 0.000) 6.339 6.840 ( 0.000 4.963 0.000) 4.963 7.048 ( 0.000 -5.307 0.000) 5.307 7.068 ( 0.000 0.678 0.000) 0.678 7.117 ( 0.000 -0.647 0.000) 0.647 7.777 ( 0.000 0.889 0.000) 0.889 7.825 ( 0.000 -1.834 0.000) 1.834 7.930 ( 0.000 4.322 0.000) 4.322 8.058 ( 0.000 -2.342 0.000) 2.342 8.252 ( 0.000 4.037 0.000) 4.037 8.300 ( 0.000 5.336 0.000) 5.336 8.400 ( 0.000 -4.294 0.000) 4.294 8.469 ( 0.000 -3.209 0.000) 3.209 8.987 ( 0.000 3.705 0.000) 3.705 9.203 ( 0.000 -0.560 0.000) 0.560 9.223 ( 0.000 -7.619 0.000) 7.619 9.336 ( 0.000 -6.410 0.000) 6.410 10.889 ( 0.000 3.208 0.000) 3.208 10.903 ( 0.000 2.350 0.000) 2.350 11.129 ( 0.000 1.408 0.000) 1.408 11.177 ( 0.000 -0.933 0.000) 0.933 11.328 ( 0.000 3.591 0.000) 3.591 11.423 ( 0.000 -1.389 0.000) 1.389 11.493 ( 0.000 0.545 0.000) 0.545 11.552 ( 0.000 -1.351 0.000) 1.351 12.136 ( 0.000 3.757 0.000) 3.757 12.146 ( 0.000 0.948 0.000) 0.948 12.185 ( 0.000 -0.973 0.000) 0.973 12.286 ( 0.000 -3.702 0.000) 3.702 16.024 ( 0.000 0.317 0.000) 0.317 16.034 ( 0.000 -0.209 0.000) 0.209 16.065 ( 0.000 2.087 0.000) 2.087 16.138 ( 0.000 -1.512 0.000) 1.512 22.454 ( 0.000 -1.304 0.000) 1.304 22.701 ( 0.000 -1.095 0.000) 1.095 22.717 ( 0.000 -1.577 0.000) 1.577 22.718 ( 0.000 -13.450 0.000) 13.450 24.690 ( 0.000 7.320 0.000) 7.320 24.742 ( 0.000 12.958 0.000) 12.958 24.823 ( 0.000 -0.314 0.000) 0.314 24.951 ( 0.000 -1.833 0.000) 1.833 25.046 ( 0.000 3.162 0.000) 3.162 25.234 ( 0.000 -3.560 0.000) 3.560 25.242 ( 0.000 -0.840 0.000) 0.840 25.324 ( 0.000 -4.171 0.000) 4.171 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -0.224 25.602 0.000) 25.603 1.934 ( 7.638 30.597 0.000) 31.536 2.092 ( -16.693 7.081 0.000) 18.133 2.371 ( -1.755 -5.911 0.000) 6.166 2.466 ( -3.922 -20.600 0.000) 20.970 2.654 ( -11.464 13.856 0.000) 17.984 2.828 ( 15.422 13.111 0.000) 20.242 2.834 ( 11.255 36.303 0.000) 38.008 3.081 ( 0.725 -27.457 0.000) 27.466 3.166 ( 2.246 -9.768 0.000) 10.023 3.462 ( 10.620 -16.855 0.000) 19.922 3.896 ( -3.824 1.846 0.000) 4.246 4.021 ( 1.966 -15.634 0.000) 15.758 4.134 ( -1.772 -1.613 0.000) 2.396 4.201 ( -12.879 19.784 0.000) 23.607 4.415 ( -1.266 7.487 0.000) 7.593 4.537 ( -5.514 4.583 0.000) 7.170 4.598 ( 2.081 2.743 0.000) 3.443 4.613 ( -0.929 1.268 0.000) 1.572 4.678 ( -0.367 2.672 0.000) 2.697 4.889 ( 0.355 8.163 0.000) 8.171 4.939 ( 8.412 6.956 0.000) 10.916 5.110 ( 1.743 -1.937 0.000) 2.606 5.117 ( 2.161 0.956 0.000) 2.364 5.239 ( -4.010 -2.619 0.000) 4.790 5.316 ( 0.906 7.683 0.000) 7.736 5.490 ( 4.456 -10.241 0.000) 11.169 5.599 ( 1.698 -0.552 0.000) 1.785 5.683 ( 5.543 -0.541 0.000) 5.569 5.688 ( -2.364 -2.113 0.000) 3.171 5.834 ( -1.112 -3.518 0.000) 3.689 5.873 ( -2.104 6.080 0.000) 6.434 5.960 ( -6.080 -0.313 0.000) 6.088 6.043 ( -4.003 -6.530 0.000) 7.660 6.182 ( -0.500 -9.324 0.000) 9.338 6.235 ( -4.739 9.201 0.000) 10.350 6.240 ( -2.152 3.253 0.000) 3.900 6.313 ( -0.443 -10.838 0.000) 10.847 6.413 ( 0.901 -4.332 0.000) 4.425 6.523 ( -4.651 -6.018 0.000) 7.606 6.901 ( 5.047 4.298 0.000) 6.629 7.041 ( -1.155 2.940 0.000) 3.158 7.107 ( 5.045 -5.909 0.000) 7.770 7.167 ( 3.170 -3.882 0.000) 5.012 7.820 ( 4.303 0.455 0.000) 4.327 7.847 ( 2.319 -0.738 0.000) 2.434 7.925 ( -0.520 4.053 0.000) 4.087 8.057 ( -0.395 -2.929 0.000) 2.955 8.251 ( -0.079 4.050 0.000) 4.051 8.280 ( -1.812 5.753 0.000) 6.031 8.411 ( 1.188 -4.450 0.000) 4.606 8.470 ( -0.118 -3.755 0.000) 3.757 9.006 ( 2.021 3.740 0.000) 4.251 9.182 ( -2.172 0.275 0.000) 2.190 9.237 ( 1.529 -7.409 0.000) 7.565 9.334 ( -0.448 -6.450 0.000) 6.465 10.873 ( -0.342 4.146 0.000) 4.161 10.946 ( 3.255 1.194 0.000) 3.467 11.059 ( -5.961 3.299 0.000) 6.813 11.162 ( -2.369 -1.783 0.000) 2.965 11.337 ( 1.190 3.495 0.000) 3.692 11.445 ( 2.028 -1.881 0.000) 2.766 11.473 ( -2.081 0.868 0.000) 2.254 11.545 ( -0.864 -1.727 0.000) 1.931 12.138 ( 0.207 3.561 0.000) 3.567 12.146 ( -0.032 1.355 0.000) 1.355 12.200 ( 1.425 -1.347 0.000) 1.960 12.278 ( -0.773 -3.455 0.000) 3.540 16.027 ( 0.477 0.606 0.000) 0.771 16.048 ( 1.345 -0.444 0.000) 1.416 16.062 ( -0.322 1.962 0.000) 1.988 16.130 ( -0.866 -1.403 0.000) 1.649 22.451 ( -0.142 -0.113 0.000) 0.182 22.597 ( -6.012 3.034 0.000) 6.734 22.740 ( 2.119 -13.485 0.000) 13.650 22.789 ( 2.754 -6.567 0.000) 7.121 24.692 ( 0.254 8.078 0.000) 8.082 24.733 ( -0.844 12.477 0.000) 12.506 24.845 ( 2.229 -0.462 0.000) 2.276 24.964 ( 0.890 -2.854 0.000) 2.989 25.034 ( -0.691 4.464 0.000) 4.517 25.205 ( -3.516 0.235 0.000) 3.524 25.251 ( 1.643 -3.967 0.000) 4.294 25.327 ( -0.056 -4.798 0.000) 4.798 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 6.457 21.074 0.000) 22.041 1.796 ( -13.813 14.519 0.000) 20.040 2.138 ( 13.134 25.447 0.000) 28.636 2.356 ( 0.560 -13.062 0.000) 13.074 2.375 ( -8.010 -1.806 0.000) 8.211 2.420 ( -10.464 3.132 0.000) 10.922 3.045 ( 8.644 28.070 0.000) 29.371 3.055 ( 7.767 16.377 0.000) 18.125 3.122 ( 3.130 -23.507 0.000) 23.714 3.174 ( -1.653 -17.573 0.000) 17.651 3.682 ( 12.478 -15.566 0.000) 19.950 3.834 ( -1.406 6.466 0.000) 6.617 3.913 ( -9.522 -8.579 0.000) 12.817 3.958 ( -11.683 20.735 0.000) 23.800 4.236 ( 8.337 -4.606 0.000) 9.524 4.358 ( -4.800 3.301 0.000) 5.826 4.489 ( 0.973 6.036 0.000) 6.114 4.558 ( -5.036 0.658 0.000) 5.079 4.645 ( 2.091 3.105 0.000) 3.744 4.666 ( -0.513 2.537 0.000) 2.588 4.916 ( 2.662 7.901 0.000) 8.337 4.974 ( -2.674 6.489 0.000) 7.019 5.138 ( 1.145 -1.464 0.000) 1.859 5.164 ( -2.203 -0.302 0.000) 2.224 5.246 ( 7.904 -1.062 0.000) 7.975 5.328 ( -0.693 4.848 0.000) 4.897 5.583 ( 4.117 -13.754 0.000) 14.357 5.635 ( -2.858 -6.877 0.000) 7.447 5.654 ( 4.910 4.234 0.000) 6.483 5.791 ( -8.337 -2.703 0.000) 8.764 5.801 ( 7.349 -3.199 0.000) 8.015 5.823 ( -1.842 4.250 0.000) 4.632 5.830 ( -1.763 7.191 0.000) 7.404 5.944 ( -7.428 -4.335 0.000) 8.600 6.175 ( -1.217 7.041 0.000) 7.146 6.183 ( -1.006 0.985 0.000) 1.408 6.220 ( 2.160 -5.160 0.000) 5.594 6.282 ( -3.157 -9.467 0.000) 9.979 6.432 ( 1.034 -5.642 0.000) 5.736 6.457 ( -2.181 -6.420 0.000) 6.780 6.984 ( 3.508 4.025 0.000) 5.339 7.025 ( -1.172 3.766 0.000) 3.944 7.185 ( 2.797 -6.321 0.000) 6.913 7.204 ( 0.625 -5.862 0.000) 5.895 7.880 ( 2.157 1.253 0.000) 2.494 7.910 ( -1.207 3.089 0.000) 3.317 7.932 ( 5.996 -0.860 0.000) 6.057 8.024 ( -3.565 -2.780 0.000) 4.521 8.249 ( -0.092 4.424 0.000) 4.425 8.253 ( -0.754 5.541 0.000) 5.592 8.437 ( 1.475 -4.755 0.000) 4.978 8.460 ( -0.941 -4.586 0.000) 4.682 9.059 ( 3.641 3.374 0.000) 4.964 9.128 ( -3.592 2.009 0.000) 4.116 9.274 ( 2.291 -6.886 0.000) 7.257 9.314 ( -1.820 -6.495 0.000) 6.745 10.887 ( 2.082 4.970 0.000) 5.389 10.952 ( -5.012 4.902 0.000) 7.011 11.015 ( 4.250 -0.316 0.000) 4.262 11.096 ( -4.372 -1.513 0.000) 4.626 11.372 ( 2.601 2.578 0.000) 3.662 11.425 ( -2.959 1.570 0.000) 3.350 11.485 ( 2.135 -2.337 0.000) 3.166 11.521 ( -1.737 -2.250 0.000) 2.842 12.142 ( 0.219 2.997 0.000) 3.005 12.145 ( -0.077 2.179 0.000) 2.180 12.230 ( 1.709 -2.063 0.000) 2.679 12.258 ( -1.390 -2.829 0.000) 3.152 16.040 ( 0.781 1.102 0.000) 1.351 16.053 ( -0.628 1.605 0.000) 1.724 16.077 ( 1.746 -0.781 0.000) 1.913 16.108 ( -1.526 -1.123 0.000) 1.895 22.459 ( 1.283 2.398 0.000) 2.720 22.505 ( -3.834 4.143 0.000) 5.644 22.783 ( 2.227 -12.838 0.000) 13.029 22.809 ( -0.376 -10.583 0.000) 10.590 24.700 ( 0.666 9.767 0.000) 9.789 24.716 ( -0.984 11.370 0.000) 11.412 24.895 ( 3.086 -0.822 0.000) 3.193 24.949 ( -2.463 -1.961 0.000) 3.149 25.058 ( 3.253 3.660 0.000) 4.897 25.130 ( -4.311 1.854 0.000) 4.693 25.285 ( 1.911 -4.754 0.000) 5.124 25.315 ( -1.239 -5.182 0.000) 5.328 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 0.000 -24.872 0.000) 24.872 2.061 ( 0.000 24.872 0.000) 24.872 2.303 ( 0.000 -2.839 0.000) 2.839 2.303 ( 0.000 2.839 0.000) 2.839 2.520 ( 0.000 -26.524 0.000) 26.524 2.520 ( 0.000 26.524 0.000) 26.524 2.981 ( 0.000 -9.958 0.000) 9.958 2.981 ( 0.000 9.958 0.000) 9.958 2.987 ( 0.000 -19.934 0.000) 19.934 2.987 ( 0.000 19.934 0.000) 19.934 3.405 ( 0.000 -32.296 0.000) 32.296 3.405 ( 0.000 32.296 0.000) 32.296 4.102 ( 0.000 -5.222 0.000) 5.222 4.102 ( 0.000 5.222 0.000) 5.222 4.507 ( 0.000 -1.023 0.000) 1.023 4.507 ( 0.000 1.023 0.000) 1.023 4.607 ( 0.000 -4.000 0.000) 4.000 4.607 ( 0.000 4.000 0.000) 4.000 4.684 ( 0.000 -1.695 0.000) 1.695 4.684 ( 0.000 1.695 0.000) 1.695 5.027 ( 0.000 -5.031 0.000) 5.031 5.027 ( 0.000 5.031 0.000) 5.031 5.072 ( 0.000 -12.382 0.000) 12.382 5.072 ( 0.000 12.382 0.000) 12.382 5.235 ( 0.000 -2.018 0.000) 2.018 5.235 ( 0.000 2.018 0.000) 2.018 5.511 ( 0.000 -13.861 0.000) 13.861 5.511 ( 0.000 13.861 0.000) 13.861 5.619 ( 0.000 -0.405 0.000) 0.405 5.619 ( 0.000 0.405 0.000) 0.405 5.921 ( 0.000 -6.926 0.000) 6.926 5.921 ( 0.000 6.926 0.000) 6.926 6.061 ( 0.000 -0.203 0.000) 0.203 6.061 ( 0.000 0.203 0.000) 0.203 6.079 ( 0.000 -12.592 0.000) 12.592 6.079 ( 0.000 12.592 0.000) 12.592 6.325 ( 0.000 -4.133 0.000) 4.133 6.325 ( 0.000 4.133 0.000) 4.133 6.452 ( 0.000 -7.350 0.000) 7.350 6.452 ( 0.000 7.350 0.000) 7.350 6.942 ( 0.000 -5.628 0.000) 5.628 6.942 ( 0.000 5.628 0.000) 5.628 7.093 ( 0.000 -1.602 0.000) 1.602 7.093 ( 0.000 1.602 0.000) 1.602 7.795 ( 0.000 -1.249 0.000) 1.249 7.795 ( 0.000 1.249 0.000) 1.249 8.002 ( 0.000 -3.342 0.000) 3.342 8.002 ( 0.000 3.342 0.000) 3.342 8.326 ( 0.000 -3.692 0.000) 3.692 8.326 ( 0.000 3.692 0.000) 3.692 8.397 ( 0.000 -4.550 0.000) 4.550 8.397 ( 0.000 4.550 0.000) 4.550 9.085 ( 0.000 -6.458 0.000) 6.458 9.085 ( 0.000 6.458 0.000) 6.458 9.234 ( 0.000 -3.821 0.000) 3.821 9.234 ( 0.000 3.821 0.000) 3.821 10.926 ( 0.000 -0.316 0.000) 0.316 10.926 ( 0.000 0.316 0.000) 0.316 11.155 ( 0.000 -1.305 0.000) 1.305 11.155 ( 0.000 1.305 0.000) 1.305 11.386 ( 0.000 -2.499 0.000) 2.499 11.386 ( 0.000 2.499 0.000) 2.499 11.517 ( 0.000 -1.882 0.000) 1.882 11.517 ( 0.000 1.882 0.000) 1.882 12.165 ( 0.000 -1.033 0.000) 1.033 12.165 ( 0.000 1.033 0.000) 1.033 12.211 ( 0.000 -4.032 0.000) 4.032 12.211 ( 0.000 4.032 0.000) 4.032 16.029 ( 0.000 -0.257 0.000) 0.257 16.029 ( 0.000 0.257 0.000) 0.257 16.104 ( 0.000 -2.006 0.000) 2.006 16.104 ( 0.000 2.006 0.000) 2.006 22.514 ( 0.000 -7.359 0.000) 7.359 22.514 ( 0.000 7.359 0.000) 7.359 22.696 ( 0.000 -0.498 0.000) 0.498 22.696 ( 0.000 0.498 0.000) 0.498 24.793 ( 0.000 -3.277 0.000) 3.277 24.793 ( 0.000 3.277 0.000) 3.277 24.898 ( 0.000 -4.349 0.000) 4.349 24.898 ( 0.000 4.349 0.000) 4.349 25.140 ( 0.000 -5.870 0.000) 5.870 25.140 ( 0.000 5.870 0.000) 5.870 25.256 ( 0.000 -2.411 0.000) 2.411 25.256 ( 0.000 2.411 0.000) 2.411 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -2.343 -24.140 0.000) 24.253 2.033 ( -2.343 24.140 0.000) 24.253 2.228 ( -7.847 -7.155 0.000) 10.620 2.228 ( -7.847 7.155 0.000) 10.620 2.525 ( 3.106 -29.833 0.000) 29.995 2.525 ( 3.106 29.833 0.000) 29.995 2.929 ( -5.460 -14.117 0.000) 15.136 2.929 ( -5.460 14.117 0.000) 15.136 3.133 ( 12.929 -17.229 0.000) 21.540 3.133 ( 12.929 17.229 0.000) 21.540 3.477 ( 6.290 -30.059 0.000) 30.711 3.477 ( 6.290 30.059 0.000) 30.711 4.068 ( -2.613 -4.955 0.000) 5.602 4.068 ( -2.613 4.955 0.000) 5.602 4.450 ( -6.674 -5.446 0.000) 8.614 4.450 ( -6.674 5.446 0.000) 8.614 4.608 ( 0.433 -2.104 0.000) 2.148 4.608 ( 0.433 2.104 0.000) 2.148 4.659 ( -1.836 -3.288 0.000) 3.766 4.659 ( -1.836 3.288 0.000) 3.766 5.040 ( 1.247 -6.044 0.000) 6.171 5.040 ( 1.247 6.044 0.000) 6.171 5.122 ( 3.107 -5.143 0.000) 6.009 5.122 ( 3.107 5.143 0.000) 6.009 5.224 ( 0.722 -7.874 0.000) 7.907 5.224 ( 0.722 7.874 0.000) 7.907 5.501 ( -1.442 -11.682 0.000) 11.770 5.501 ( -1.442 11.682 0.000) 11.770 5.650 ( 3.152 -2.598 0.000) 4.084 5.650 ( 3.152 2.598 0.000) 4.084 5.908 ( -1.969 -7.057 0.000) 7.326 5.908 ( -1.969 7.057 0.000) 7.326 6.020 ( -3.065 -6.433 0.000) 7.126 6.020 ( -3.065 6.433 0.000) 7.126 6.077 ( -0.458 -12.976 0.000) 12.984 6.077 ( -0.458 12.976 0.000) 12.984 6.323 ( -0.300 -4.854 0.000) 4.863 6.323 ( -0.300 4.854 0.000) 4.863 6.395 ( -4.815 -7.424 0.000) 8.849 6.395 ( -4.815 7.424 0.000) 8.849 6.997 ( 4.691 -5.574 0.000) 7.285 6.997 ( 4.691 5.574 0.000) 7.285 7.100 ( 0.557 -3.257 0.000) 3.304 7.100 ( 0.557 3.257 0.000) 3.304 7.831 ( 3.538 -0.769 0.000) 3.621 7.831 ( 3.538 0.769 0.000) 3.621 7.995 ( -0.848 -3.419 0.000) 3.522 7.995 ( -0.848 3.419 0.000) 3.522 8.331 ( 0.529 -4.177 0.000) 4.210 8.331 ( 0.529 4.177 0.000) 4.210 8.387 ( -1.062 -5.138 0.000) 5.247 8.387 ( -1.062 5.138 0.000) 5.247 9.103 ( 1.885 -6.351 0.000) 6.625 9.103 ( 1.885 6.351 0.000) 6.625 9.227 ( -0.896 -4.360 0.000) 4.451 9.227 ( -0.896 4.360 0.000) 4.451 10.937 ( 1.297 -2.168 0.000) 2.526 10.937 ( 1.297 2.168 0.000) 2.526 11.117 ( -3.723 -2.786 0.000) 4.650 11.117 ( -3.723 2.786 0.000) 4.650 11.399 ( 1.336 -2.927 0.000) 3.217 11.399 ( 1.336 2.927 0.000) 3.217 11.503 ( -1.451 -2.219 0.000) 2.651 11.503 ( -1.451 2.219 0.000) 2.651 12.173 ( 0.717 -1.449 0.000) 1.617 12.173 ( 0.717 1.449 0.000) 1.617 12.209 ( -0.261 -3.778 0.000) 3.787 12.209 ( -0.261 3.778 0.000) 3.787 16.038 ( 0.942 -0.556 0.000) 1.094 16.038 ( 0.942 0.556 0.000) 1.094 16.099 ( -0.606 -1.863 0.000) 1.959 16.099 ( -0.606 1.863 0.000) 1.959 22.529 ( 1.602 -8.026 0.000) 8.184 22.529 ( 1.602 8.026 0.000) 8.184 22.675 ( -2.113 -5.141 0.000) 5.558 22.675 ( -2.113 5.141 0.000) 5.558 24.808 ( 1.478 -3.855 0.000) 4.128 24.808 ( 1.478 3.855 0.000) 4.128 24.893 ( -0.647 -5.137 0.000) 5.177 24.893 ( -0.647 5.137 0.000) 5.177 25.147 ( 0.819 -6.530 0.000) 6.581 25.147 ( 0.819 6.530 0.000) 6.581 25.241 ( -1.518 -3.609 0.000) 3.915 25.241 ( -1.518 3.609 0.000) 3.915 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 0.912 -20.994 0.000) 21.014 2.012 ( 0.912 20.994 0.000) 21.014 2.082 ( -6.640 -15.110 0.000) 16.505 2.082 ( -6.640 15.110 0.000) 16.505 2.636 ( 8.191 -26.304 0.000) 27.550 2.636 ( 8.191 26.304 0.000) 27.550 2.796 ( -8.597 -20.799 0.000) 22.506 2.796 ( -8.597 20.799 0.000) 22.506 3.376 ( 12.290 -16.476 0.000) 20.556 3.376 ( 12.290 16.476 0.000) 20.556 3.531 ( -2.954 -21.964 0.000) 22.162 3.531 ( -2.954 21.964 0.000) 22.162 4.085 ( 6.463 -10.080 0.000) 11.974 4.085 ( 6.463 10.080 0.000) 11.974 4.272 ( -11.689 -11.357 0.000) 16.297 4.272 ( -11.689 11.357 0.000) 16.297 4.622 ( 0.848 -5.374 0.000) 5.441 4.622 ( 0.848 5.374 0.000) 5.441 4.636 ( -0.801 -4.853 0.000) 4.919 4.636 ( -0.801 4.853 0.000) 4.919 5.068 ( 1.828 -6.375 0.000) 6.632 5.068 ( 1.828 6.375 0.000) 6.632 5.109 ( -2.539 -5.368 0.000) 5.938 5.109 ( -2.539 5.368 0.000) 5.938 5.321 ( 7.609 -10.465 0.000) 12.939 5.321 ( 7.609 10.465 0.000) 12.939 5.443 ( -5.082 -8.882 0.000) 10.234 5.443 ( -5.082 8.883 0.000) 10.234 5.726 ( 5.065 -3.640 0.000) 6.238 5.726 ( 5.065 3.640 0.000) 6.238 5.829 ( -5.867 -3.990 0.000) 7.095 5.829 ( -5.867 3.990 0.000) 7.095 6.007 ( 1.661 -10.251 0.000) 10.384 6.007 ( 1.661 10.251 0.000) 10.384 6.052 ( -2.355 -12.893 0.000) 13.106 6.052 ( -2.355 12.893 0.000) 13.106 6.314 ( -0.420 -6.455 0.000) 6.468 6.314 ( -0.420 6.455 0.000) 6.468 6.325 ( -2.147 -7.293 0.000) 7.602 6.325 ( -2.147 7.293 0.000) 7.602 7.073 ( 3.074 -5.340 0.000) 6.162 7.073 ( 3.074 5.340 0.000) 6.162 7.104 ( -0.443 -4.641 0.000) 4.662 7.104 ( -0.443 4.641 0.000) 4.662 7.905 ( 4.079 -1.518 0.000) 4.352 7.905 ( 4.079 1.518 0.000) 4.352 7.966 ( -2.432 -2.993 0.000) 3.857 7.966 ( -2.432 2.993 0.000) 3.857 8.344 ( 0.915 -5.127 0.000) 5.208 8.344 ( 0.915 5.127 0.000) 5.208 8.364 ( -1.269 -5.655 0.000) 5.796 8.364 ( -1.269 5.655 0.000) 5.796 9.149 ( 2.878 -5.919 0.000) 6.582 9.149 ( 2.878 5.919 0.000) 6.582 9.198 ( -2.268 -5.208 0.000) 5.681 9.198 ( -2.268 5.208 0.000) 5.681 10.975 ( 2.832 -3.743 0.000) 4.694 10.975 ( 2.832 3.743 0.000) 4.694 11.040 ( -4.209 -4.061 0.000) 5.849 11.040 ( -4.209 4.061 0.000) 5.849 11.430 ( 1.986 -3.185 0.000) 3.753 11.430 ( 1.986 3.185 0.000) 3.753 11.469 ( -2.146 -2.830 0.000) 3.552 11.469 ( -2.146 2.830 0.000) 3.552 12.188 ( 0.847 -2.268 0.000) 2.421 12.188 ( 0.847 2.268 0.000) 2.421 12.201 ( -0.584 -3.118 0.000) 3.172 12.201 ( -0.584 3.118 0.000) 3.172 16.060 ( 1.315 -1.013 0.000) 1.660 16.060 ( 1.315 1.013 0.000) 1.660 16.083 ( -1.112 -1.487 0.000) 1.857 16.083 ( -1.112 1.487 0.000) 1.857 22.570 ( 2.785 -8.930 0.000) 9.354 22.570 ( 2.785 8.930 0.000) 9.354 22.626 ( -3.092 -8.286 0.000) 8.844 22.626 ( -3.092 8.286 0.000) 8.844 24.841 ( 1.967 -5.023 0.000) 5.395 24.841 ( 1.967 5.023 0.000) 5.395 24.873 ( -1.468 -5.716 0.000) 5.902 24.873 ( -1.468 5.716 0.000) 5.902 25.170 ( 1.701 -6.825 0.000) 7.034 25.170 ( 1.701 6.825 0.000) 7.034 25.206 ( -2.122 -5.590 0.000) 5.979 25.206 ( -2.122 5.590 0.000) 5.979 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.000 0.000 31.963) 31.963 0.672 ( 0.000 0.000 32.606) 32.606 1.150 ( 0.000 0.000 55.531) 55.531 1.789 ( 0.000 0.000 0.413) 0.413 2.505 ( 0.000 0.000 3.802) 3.802 2.591 ( 0.000 0.000 5.339) 5.339 2.685 ( 0.000 0.000 -21.699) 21.699 2.745 ( 0.000 0.000 -2.243) 2.243 3.122 ( 0.000 0.000 -2.774) 2.774 3.697 ( 0.000 0.000 -1.447) 1.447 3.714 ( 0.000 0.000 22.303) 22.303 3.781 ( 0.000 0.000 -6.951) 6.951 3.816 ( 0.000 0.000 1.408) 1.408 4.002 ( 0.000 0.000 -6.604) 6.604 4.117 ( 0.000 0.000 -8.709) 8.709 4.157 ( 0.000 0.000 -5.969) 5.969 4.178 ( 0.000 0.000 1.449) 1.449 4.387 ( 0.000 0.000 -3.360) 3.360 4.679 ( 0.000 0.000 -11.562) 11.562 4.701 ( 0.000 0.000 -10.946) 10.946 4.738 ( 0.000 0.000 -8.470) 8.470 4.888 ( 0.000 0.000 -19.636) 19.636 4.965 ( 0.000 0.000 -3.751) 3.751 5.045 ( 0.000 0.000 8.282) 8.282 5.200 ( 0.000 0.000 8.057) 8.057 5.347 ( 0.000 0.000 1.553) 1.553 5.446 ( 0.000 0.000 12.168) 12.168 5.509 ( 0.000 0.000 14.638) 14.638 5.606 ( 0.000 0.000 11.940) 11.940 5.618 ( 0.000 0.000 3.073) 3.073 5.797 ( 0.000 0.000 0.985) 0.985 6.043 ( 0.000 0.000 -2.634) 2.634 6.122 ( 0.000 0.000 -8.506) 8.506 6.181 ( 0.000 0.000 -2.770) 2.770 6.286 ( 0.000 0.000 -2.871) 2.871 6.308 ( 0.000 0.000 2.506) 2.506 6.350 ( 0.000 0.000 -8.828) 8.828 6.530 ( 0.000 0.000 -2.375) 2.375 6.714 ( 0.000 0.000 2.661) 2.661 6.791 ( 0.000 0.000 -4.074) 4.074 6.818 ( 0.000 0.000 0.372) 0.372 7.088 ( 0.000 0.000 -5.891) 5.891 7.307 ( 0.000 0.000 2.592) 2.592 7.381 ( 0.000 0.000 -9.677) 9.677 7.462 ( 0.000 0.000 -6.516) 6.516 7.952 ( 0.000 0.000 -9.725) 9.725 7.967 ( 0.000 0.000 -5.316) 5.316 7.978 ( 0.000 0.000 16.300) 16.300 8.074 ( 0.000 0.000 13.061) 13.061 8.371 ( 0.000 0.000 1.584) 1.584 8.384 ( 0.000 0.000 12.717) 12.717 8.698 ( 0.000 0.000 5.850) 5.850 8.945 ( 0.000 0.000 1.650) 1.650 9.008 ( 0.000 0.000 0.603) 0.603 9.595 ( 0.000 0.000 0.652) 0.652 10.150 ( 0.000 0.000 -7.977) 7.977 10.766 ( 0.000 0.000 -0.763) 0.763 10.768 ( 0.000 0.000 -0.497) 0.497 10.788 ( 0.000 0.000 -0.240) 0.240 11.144 ( 0.000 0.000 1.411) 1.411 11.167 ( 0.000 0.000 -3.118) 3.118 11.441 ( 0.000 0.000 -0.642) 0.642 11.490 ( 0.000 0.000 -0.484) 0.484 11.500 ( 0.000 0.000 -0.625) 0.625 12.039 ( 0.000 0.000 -7.666) 7.666 12.041 ( 0.000 0.000 -6.730) 6.730 12.263 ( 0.000 0.000 2.396) 2.396 12.328 ( 0.000 0.000 -7.101) 7.101 16.009 ( 0.000 0.000 0.963) 0.963 16.036 ( 0.000 0.000 2.167) 2.167 16.053 ( 0.000 0.000 1.038) 1.038 16.196 ( 0.000 0.000 1.579) 1.579 22.791 ( 0.000 0.000 0.718) 0.718 22.791 ( 0.000 0.000 1.025) 1.025 22.798 ( 0.000 0.000 -0.188) 0.188 23.085 ( 0.000 0.000 -2.703) 2.703 23.365 ( 0.000 0.000 1.040) 1.040 23.604 ( 0.000 0.000 -2.658) 2.658 24.298 ( 0.000 0.000 -4.004) 4.004 24.704 ( 0.000 0.000 -10.647) 10.647 25.092 ( 0.000 0.000 8.318) 8.318 25.298 ( 0.000 0.000 8.155) 8.155 25.537 ( 0.000 0.000 18.815) 18.815 27.575 ( 0.000 0.000 -0.185) 0.185 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 14.213 0.000 23.377) 27.359 0.832 ( 15.619 0.000 25.614) 30.000 1.466 ( 27.941 0.000 44.484) 52.532 1.737 ( -7.003 0.000 3.440) 7.802 2.146 ( -25.086 0.000 -4.448) 25.477 2.518 ( -1.493 0.000 1.816) 2.351 2.838 ( 2.827 0.000 -7.478) 7.994 2.901 ( 4.287 0.000 -2.842) 5.143 3.141 ( 3.965 0.000 4.037) 5.659 3.466 ( -11.435 0.000 9.573) 14.913 3.666 ( -3.233 0.000 -6.872) 7.595 3.694 ( -8.545 0.000 -1.490) 8.674 3.903 ( 3.017 0.000 5.014) 5.852 4.020 ( 1.542 0.000 -10.306) 10.420 4.107 ( -1.065 0.000 -10.343) 10.397 4.246 ( 6.149 0.000 1.247) 6.274 4.286 ( 9.597 0.000 -3.896) 10.358 4.421 ( 3.782 0.000 -4.983) 6.256 4.652 ( -4.750 0.000 -6.867) 8.350 4.704 ( -0.778 0.000 -13.182) 13.205 4.746 ( 1.282 0.000 -6.455) 6.581 4.778 ( -4.754 0.000 -11.110) 12.084 4.923 ( -4.042 0.000 -2.721) 4.872 5.094 ( -3.620 0.000 -0.331) 3.635 5.292 ( 10.287 0.000 0.132) 10.288 5.407 ( 6.248 0.000 3.078) 6.965 5.429 ( -0.585 0.000 13.021) 13.034 5.499 ( -1.112 0.000 14.885) 14.927 5.561 ( -2.914 0.000 13.389) 13.703 5.701 ( 7.470 0.000 2.154) 7.774 5.841 ( 1.335 0.000 -6.159) 6.302 6.042 ( -0.749 0.000 -1.862) 2.007 6.044 ( -4.013 0.000 -5.679) 6.954 6.155 ( -1.948 0.000 -4.229) 4.656 6.271 ( -3.202 0.000 2.580) 4.113 6.330 ( 0.136 0.000 -0.996) 1.005 6.388 ( 3.075 0.000 -7.605) 8.204 6.521 ( -0.988 0.000 -2.783) 2.953 6.648 ( -5.055 0.000 -2.086) 5.469 6.653 ( -5.378 0.000 3.848) 6.613 6.823 ( 1.718 0.000 -2.893) 3.365 7.129 ( -12.402 0.000 9.900) 15.868 7.376 ( 19.195 0.000 -5.785) 20.048 7.392 ( 1.088 0.000 -9.385) 9.448 7.457 ( -0.559 0.000 -6.847) 6.870 7.934 ( -1.840 0.000 -4.984) 5.313 7.986 ( 0.854 0.000 16.094) 16.116 7.998 ( 2.162 0.000 -7.206) 7.523 8.064 ( -1.088 0.000 13.459) 13.503 8.217 ( -5.358 0.000 7.371) 9.112 8.678 ( 12.521 0.000 -5.884) 13.834 8.720 ( 2.722 0.000 4.380) 5.156 8.951 ( 0.697 0.000 1.512) 1.665 9.003 ( -0.596 0.000 0.672) 0.898 9.595 ( 0.156 0.000 1.322) 1.331 9.923 ( -16.322 0.000 8.337) 18.328 10.766 ( -0.013 0.000 -0.725) 0.725 10.767 ( -0.035 0.000 -0.520) 0.521 10.810 ( 2.713 0.000 -0.354) 2.736 11.088 ( -4.476 0.000 -0.633) 4.520 11.254 ( 5.759 0.000 -4.193) 7.123 11.447 ( 0.644 0.000 -0.644) 0.911 11.474 ( -1.735 0.000 -0.737) 1.885 11.495 ( -0.556 0.000 -0.629) 0.839 12.017 ( -1.332 0.000 -5.759) 5.911 12.034 ( -1.516 0.000 -4.235) 4.498 12.203 ( -1.555 0.000 -0.717) 1.712 12.313 ( -1.650 0.000 -7.092) 7.282 16.009 ( 0.042 0.000 1.075) 1.076 16.024 ( -0.657 0.000 1.561) 1.694 16.078 ( 1.991 0.000 1.523) 2.507 16.186 ( -1.101 0.000 1.601) 1.943 22.783 ( 3.253 0.000 -2.804) 4.295 22.822 ( 3.427 0.000 1.505) 3.743 23.053 ( -3.305 0.000 -2.841) 4.359 23.235 ( -10.006 0.000 0.677) 10.029 23.478 ( 46.250 0.000 -33.706) 57.229 23.745 ( 11.193 0.000 -2.369) 11.441 24.255 ( -4.670 0.000 -3.842) 6.047 24.665 ( -4.744 0.000 -14.055) 14.834 25.089 ( -0.272 0.000 8.553) 8.557 25.215 ( -6.287 0.000 7.882) 10.082 25.654 ( 10.490 0.000 22.332) 24.673 26.934 ( -45.994 0.000 38.469) 59.961 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 25.751 0.000 6.986) 26.681 1.169 ( 19.793 0.000 16.575) 25.816 1.513 ( -16.750 0.000 9.861) 19.438 1.634 ( -26.017 0.000 0.108) 26.017 2.065 ( 31.368 0.000 32.804) 45.388 2.596 ( 8.741 0.000 -4.060) 9.638 2.630 ( -27.739 0.000 24.381) 36.931 2.770 ( -8.558 0.000 -8.947) 12.381 3.292 ( 11.029 0.000 7.540) 13.360 3.480 ( 6.957 0.000 -13.705) 15.370 3.503 ( -11.565 0.000 4.448) 12.391 3.590 ( -4.968 0.000 -11.343) 12.384 4.005 ( 9.351 0.000 3.936) 10.146 4.050 ( 1.708 0.000 -13.043) 13.155 4.081 ( -1.645 0.000 -12.584) 12.691 4.209 ( -10.235 0.000 0.268) 10.239 4.467 ( 9.184 0.000 -4.605) 10.274 4.521 ( 6.769 0.000 -8.657) 10.990 4.587 ( -3.186 0.000 -3.269) 4.565 4.643 ( -5.735 0.000 -12.681) 13.918 4.777 ( 5.529 0.000 -2.426) 6.038 4.787 ( 2.843 0.000 -4.626) 5.430 4.846 ( -3.767 0.000 -2.331) 4.430 4.946 ( -10.543 0.000 -0.084) 10.543 5.439 ( 1.454 0.000 14.201) 14.275 5.445 ( 5.440 0.000 3.563) 6.503 5.471 ( -1.808 0.000 14.735) 14.845 5.515 ( -2.591 0.000 9.782) 10.120 5.572 ( 10.976 0.000 -3.933) 11.660 5.761 ( -8.796 0.000 -9.344) 12.833 5.850 ( 8.222 0.000 0.574) 8.242 5.983 ( -5.793 0.000 -0.948) 5.870 6.076 ( 6.438 0.000 -1.189) 6.547 6.152 ( 1.846 0.000 -2.815) 3.366 6.205 ( -3.599 0.000 0.543) 3.640 6.229 ( -9.095 0.000 0.301) 9.100 6.446 ( 2.998 0.000 -5.813) 6.540 6.493 ( -2.117 0.000 -4.010) 4.535 6.615 ( 0.276 0.000 1.804) 1.825 6.622 ( 0.002 0.000 -1.958) 1.958 6.860 ( 3.114 0.000 -0.169) 3.118 6.952 ( -7.080 0.000 6.114) 9.354 7.417 ( 1.461 0.000 -8.631) 8.754 7.441 ( -1.138 0.000 -7.673) 7.757 7.682 ( 13.647 0.000 -3.933) 14.202 7.864 ( -6.433 0.000 -3.760) 7.452 8.008 ( 1.509 0.000 15.437) 15.511 8.038 ( -1.654 0.000 14.422) 14.516 8.049 ( 3.517 0.000 -3.566) 5.008 8.126 ( -4.814 0.000 1.741) 5.120 8.770 ( 3.226 0.000 2.950) 4.371 8.801 ( 1.027 0.000 -3.471) 3.619 8.968 ( 1.074 0.000 1.196) 1.607 8.988 ( -1.012 0.000 0.879) 1.341 9.612 ( 2.242 0.000 3.914) 4.510 9.699 ( -7.968 0.000 8.828) 11.892 10.766 ( 0.026 0.000 -0.648) 0.648 10.767 ( -0.055 0.000 -0.572) 0.575 10.884 ( 5.163 0.000 -0.655) 5.205 10.989 ( -5.959 0.000 -0.833) 6.017 11.351 ( 4.795 0.000 -2.987) 5.650 11.426 ( -3.425 0.000 -1.557) 3.762 11.463 ( 0.995 0.000 -0.644) 1.186 11.481 ( -0.941 0.000 -0.638) 1.137 12.001 ( -0.201 0.000 -4.215) 4.220 12.009 ( -0.964 0.000 -4.614) 4.713 12.222 ( 2.466 0.000 -5.858) 6.356 12.271 ( -2.702 0.000 -6.954) 7.460 16.011 ( 0.157 0.000 1.182) 1.192 16.015 ( -0.347 0.000 1.316) 1.361 16.118 ( 2.284 0.000 1.658) 2.822 16.157 ( -1.947 0.000 1.649) 2.551 22.867 ( 5.486 0.000 -2.983) 6.245 22.914 ( 6.545 0.000 1.269) 6.667 22.970 ( -5.446 0.000 -2.903) 6.171 23.057 ( -9.019 0.000 0.934) 9.067 23.952 ( 10.967 0.000 -2.822) 11.324 24.133 ( -8.528 0.000 -3.402) 9.182 24.147 ( 26.929 0.000 -34.859) 44.049 24.506 ( -13.427 0.000 -23.579) 27.134 25.089 ( 0.557 0.000 8.920) 8.938 25.122 ( -3.403 0.000 8.568) 9.219 25.893 ( 16.017 0.000 30.673) 34.603 26.271 ( -26.834 0.000 40.829) 48.858 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 0.000 17.162 23.192) 28.851 0.837 ( 0.000 16.566 24.356) 29.456 1.546 ( 0.000 34.001 42.299) 54.270 1.918 ( 0.000 12.828 1.502) 12.915 2.518 ( 0.000 -1.470 3.954) 4.218 2.526 ( 0.000 -7.002 -12.615) 14.428 2.570 ( 0.000 1.220 6.358) 6.474 2.980 ( 0.000 11.040 -9.557) 14.602 3.117 ( 0.000 -0.183 1.194) 1.208 3.626 ( 0.000 -3.848 -1.950) 4.314 3.725 ( 0.000 3.470 17.914) 18.247 3.772 ( 0.000 -7.170 -10.529) 12.739 3.861 ( 0.000 5.552 -5.163) 7.582 4.038 ( 0.000 -5.999 -4.355) 7.413 4.047 ( 0.000 -3.847 -1.853) 4.270 4.126 ( 0.000 4.451 -5.749) 7.271 4.210 ( 0.000 7.665 -6.527) 10.068 4.495 ( 0.000 7.632 -0.997) 7.697 4.580 ( 0.000 -5.351 -14.325) 15.292 4.739 ( 0.000 -1.630 -9.260) 9.402 4.772 ( 0.000 2.326 -0.435) 2.367 4.903 ( 0.000 2.117 -16.014) 16.153 4.924 ( 0.000 -6.024 6.527) 8.882 5.101 ( 0.000 6.170 0.715) 6.211 5.235 ( 0.000 4.282 2.758) 5.093 5.262 ( 0.000 -5.480 5.284) 7.613 5.481 ( 0.000 3.182 8.968) 9.516 5.513 ( 0.000 -1.766 12.589) 12.712 5.571 ( 0.000 2.258 2.164) 3.128 5.781 ( 0.000 -1.350 -0.043) 1.351 5.814 ( 0.000 11.028 2.210) 11.247 6.038 ( 0.000 -2.706 -3.474) 4.404 6.108 ( 0.000 -1.756 -6.432) 6.668 6.117 ( 0.000 -5.187 -0.761) 5.242 6.244 ( 0.000 -3.681 0.734) 3.754 6.308 ( 0.000 -0.184 -0.427) 0.465 6.343 ( 0.000 -1.907 -7.582) 7.818 6.461 ( 0.000 -4.251 -2.821) 5.102 6.698 ( 0.000 -0.961 -0.309) 1.010 6.766 ( 0.000 -2.374 -3.076) 3.886 6.830 ( 0.000 -0.140 5.900) 5.901 7.053 ( 0.000 -3.291 -5.341) 6.274 7.279 ( 0.000 -2.566 3.222) 4.119 7.314 ( 0.000 -8.372 11.340) 14.096 7.441 ( 0.000 5.311 -10.355) 11.638 7.870 ( 0.000 -7.521 4.392) 8.710 7.906 ( 0.000 -2.088 0.148) 2.093 8.054 ( 0.000 6.316 -7.804) 10.040 8.072 ( 0.000 5.287 8.944) 10.390 8.395 ( 0.000 1.240 12.815) 12.875 8.449 ( 0.000 -3.125 -1.468) 3.452 8.690 ( 0.000 -0.801 5.233) 5.294 8.948 ( 0.000 0.395 1.794) 1.837 9.086 ( 0.000 5.178 -3.968) 6.523 9.564 ( 0.000 -3.166 0.992) 3.318 9.861 ( 0.000 -17.811 10.848) 20.854 10.775 ( 0.000 1.068 -0.842) 1.361 10.797 ( 0.000 1.679 -0.945) 1.927 10.924 ( 0.000 7.473 -9.593) 12.161 11.169 ( 0.000 0.201 -2.766) 2.774 11.177 ( 0.000 3.049 0.488) 3.088 11.433 ( 0.000 -0.749 -1.154) 1.376 11.488 ( 0.000 -0.226 -0.738) 0.772 11.515 ( 0.000 1.230 -1.279) 1.774 12.023 ( 0.000 -0.892 -4.710) 4.794 12.045 ( 0.000 0.481 -6.641) 6.658 12.182 ( 0.000 -3.927 0.495) 3.958 12.314 ( 0.000 -1.442 -6.976) 7.124 16.016 ( 0.000 0.771 1.063) 1.313 16.038 ( 0.000 0.186 2.112) 2.120 16.052 ( 0.000 -0.058 1.086) 1.087 16.192 ( 0.000 -0.474 1.533) 1.605 22.771 ( 0.000 -1.281 -0.700) 1.460 22.773 ( 0.000 -3.257 -0.647) 3.321 22.853 ( 0.000 -15.044 0.300) 15.047 23.255 ( 0.000 -8.900 -0.144) 8.901 23.514 ( 0.000 44.512 -36.515) 57.573 23.905 ( 0.000 22.871 -5.003) 23.412 24.345 ( 0.000 4.541 -4.727) 6.555 24.755 ( 0.000 4.988 -9.234) 10.495 25.105 ( 0.000 1.394 9.198) 9.303 25.288 ( 0.000 -1.114 7.506) 7.588 25.512 ( 0.000 -2.554 18.020) 18.200 26.919 ( 0.000 -44.960 36.975) 58.212 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 9.709 13.698 22.509) 28.081 0.975 ( 15.751 16.185 16.975) 28.253 1.756 ( 14.900 24.265 30.443) 41.684 1.857 ( -3.126 13.699 11.349) 18.062 2.189 ( -21.004 4.779 -5.628) 22.264 2.491 ( -1.820 -1.792 4.723) 5.369 2.754 ( 7.702 -4.166 -2.938) 9.237 3.008 ( -2.072 0.671 -5.725) 6.125 3.215 ( 9.167 9.481 1.668) 13.293 3.514 ( -13.683 5.919 10.917) 18.478 3.555 ( -5.851 -4.099 -3.749) 8.068 3.818 ( 2.398 -8.439 -5.973) 10.613 3.829 ( -3.275 6.714 -2.589) 7.906 4.063 ( -0.489 0.279 -12.249) 12.262 4.114 ( 5.776 -5.366 -1.476) 8.021 4.158 ( 3.683 -2.581 -3.202) 5.521 4.227 ( 0.401 4.512 -7.338) 8.624 4.512 ( 1.652 3.080 -3.810) 5.171 4.582 ( 0.101 -2.498 -7.039) 7.469 4.742 ( 0.530 0.076 -8.985) 9.001 4.783 ( -0.043 1.703 -1.591) 2.331 4.801 ( -4.307 2.580 -4.840) 6.974 4.950 ( -1.348 0.368 -1.479) 2.035 5.097 ( -3.337 3.476 -3.822) 6.149 5.276 ( 6.373 -0.508 3.016) 7.069 5.297 ( 2.733 -5.604 6.966) 9.349 5.449 ( -1.465 1.087 8.567) 8.759 5.561 ( 3.775 3.006 11.090) 12.094 5.612 ( 2.923 4.140 3.170) 5.978 5.750 ( -0.108 2.145 3.943) 4.490 5.870 ( 2.565 4.084 -3.946) 6.231 5.986 ( -6.276 -3.190 -6.186) 9.372 6.068 ( 0.388 -2.530 -2.112) 3.318 6.102 ( -1.544 -3.552 -1.571) 4.179 6.227 ( -3.088 -3.689 2.470) 5.408 6.305 ( -2.004 -3.412 -0.211) 3.962 6.358 ( 1.176 -2.709 -6.362) 7.014 6.460 ( -0.603 -3.930 -3.547) 5.329 6.654 ( -1.857 0.719 -1.315) 2.387 6.677 ( -6.114 0.755 2.810) 6.771 6.813 ( 2.766 -0.952 -2.579) 3.900 7.103 ( -9.525 -2.431 10.243) 14.197 7.288 ( 11.443 -4.723 -4.497) 13.171 7.394 ( 2.270 -5.162 -0.503) 5.661 7.491 ( 7.216 5.851 -9.236) 13.100 7.875 ( 0.145 -6.901 3.293) 7.648 7.926 ( 1.247 -2.768 2.563) 3.973 8.016 ( -2.699 4.662 -3.969) 6.691 8.103 ( 2.163 5.552 5.605) 8.180 8.303 ( -4.744 2.856 9.730) 11.195 8.593 ( 8.295 -6.939 0.708) 10.838 8.703 ( 1.347 -1.939 4.175) 4.797 8.960 ( 1.358 0.829 1.808) 2.409 9.081 ( -0.723 4.969 -3.444) 6.089 9.562 ( -0.048 -3.335 1.592) 3.695 9.772 ( -8.026 -11.746 11.589) 18.349 10.763 ( -0.396 0.422 -0.513) 0.773 10.827 ( 0.955 2.914 -2.527) 3.974 10.865 ( -2.275 5.602 -2.078) 6.394 11.114 ( -4.235 2.338 -1.407) 5.038 11.248 ( 4.787 -0.206 -2.868) 5.584 11.441 ( 0.186 -0.721 -1.870) 2.013 11.471 ( -1.141 -0.024 -0.631) 1.304 11.514 ( -0.319 1.296 -1.606) 2.088 12.015 ( -0.603 0.000 -4.060) 4.104 12.035 ( -1.036 0.470 -5.582) 5.697 12.182 ( 0.736 -1.532 -2.975) 3.426 12.299 ( -1.548 -1.360 -6.988) 7.286 16.016 ( 0.020 0.742 1.131) 1.353 16.027 ( -0.527 0.339 1.534) 1.657 16.076 ( 1.923 -0.151 1.535) 2.465 16.182 ( -1.080 -0.453 1.559) 1.949 22.603 ( -3.366 -4.805 0.941) 5.942 22.804 ( -4.543 -15.621 0.130) 16.269 22.986 ( 7.555 0.115 -0.159) 7.558 23.240 ( -1.961 -6.513 0.257) 6.807 23.802 ( 24.862 26.664 -40.417) 54.430 23.951 ( 4.727 19.075 -5.238) 20.338 24.317 ( -2.685 5.951 -4.826) 8.119 24.720 ( -4.181 5.354 -12.376) 14.118 25.100 ( -0.439 1.223 9.334) 9.424 25.208 ( -6.004 -0.800 7.579) 9.702 25.624 ( 9.864 -3.113 21.073) 23.475 26.605 ( -26.475 -26.583 42.113) 56.401 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 18.845 7.147 15.568) 25.467 1.331 ( 21.214 13.437 8.436) 26.490 1.556 ( -17.833 5.711 9.912) 21.187 1.767 ( -23.495 11.706 -0.019) 26.250 2.246 ( 25.722 17.609 27.442) 41.530 2.537 ( 1.440 0.609 5.303) 5.528 2.745 ( -5.385 2.077 0.899) 5.841 2.860 ( -14.199 7.451 6.027) 17.130 3.273 ( 4.202 2.891 2.443) 5.655 3.394 ( -6.771 -3.441 -5.216) 9.213 3.565 ( 8.891 4.646 -3.870) 10.752 3.725 ( -7.682 6.921 -1.756) 10.488 3.897 ( 6.719 -8.243 -6.208) 12.314 4.022 ( -4.765 -6.313 -11.412) 13.885 4.161 ( 0.913 6.696 -7.772) 10.299 4.192 ( -2.780 4.795 -10.141) 11.556 4.296 ( 9.057 -11.885 -0.884) 14.969 4.448 ( -7.075 -7.604 -5.796) 11.894 4.664 ( 6.450 4.579 0.727) 7.943 4.726 ( -1.239 3.284 -9.779) 10.390 4.770 ( -0.113 0.426 -3.939) 3.964 4.804 ( -0.152 0.368 3.030) 3.056 4.911 ( 0.268 6.110 -4.357) 7.509 4.996 ( -6.645 6.547 -4.294) 10.269 5.326 ( 1.624 -5.842 8.846) 10.725 5.352 ( -0.649 -4.768 11.415) 12.388 5.528 ( 9.840 -1.006 -4.395) 10.824 5.618 ( 2.140 6.618 9.136) 11.482 5.635 ( -0.182 7.236 6.798) 9.930 5.727 ( -7.226 -2.138 -5.391) 9.265 5.878 ( 4.127 0.809 0.200) 4.211 5.950 ( -0.929 -1.857 -1.776) 2.732 6.083 ( 1.274 -1.249 -1.251) 2.179 6.101 ( 2.618 -4.230 -0.957) 5.066 6.155 ( -4.176 -4.861 0.177) 6.411 6.198 ( -7.638 -3.001 1.172) 8.290 6.389 ( 2.375 -5.005 -5.377) 7.720 6.435 ( -2.228 -4.559 -4.656) 6.886 6.637 ( 0.620 0.984 2.525) 2.780 6.650 ( -0.079 1.835 -0.762) 1.989 6.866 ( 3.584 0.650 -0.815) 3.733 6.956 ( -6.341 0.367 4.645) 7.869 7.388 ( 2.019 -3.113 -6.305) 7.316 7.408 ( -0.304 -3.417 -4.886) 5.970 7.695 ( 11.515 1.191 -3.938) 12.228 7.846 ( -4.507 -3.764 1.286) 6.011 7.942 ( 0.914 -1.590 1.919) 2.655 7.969 ( -2.148 0.533 -1.430) 2.635 8.152 ( 3.353 5.266 6.855) 9.272 8.223 ( -4.205 4.347 8.449) 10.391 8.698 ( 3.301 -6.783 2.252) 7.872 8.724 ( 0.269 -5.025 2.229) 5.504 8.998 ( 2.802 2.330 1.439) 3.918 9.052 ( -2.561 4.099 -0.919) 4.920 9.572 ( 1.580 -3.964 3.957) 5.820 9.636 ( -5.724 -5.891 8.626) 11.911 10.765 ( 0.626 0.547 -0.338) 0.897 10.789 ( -2.026 2.292 -0.899) 3.188 10.920 ( 5.011 3.123 -0.919) 5.975 11.020 ( -5.679 2.818 -1.307) 6.473 11.334 ( 4.496 -1.185 -2.335) 5.202 11.407 ( -3.326 -1.309 -1.544) 3.894 11.478 ( 1.233 0.880 -1.823) 2.370 11.501 ( -1.095 1.248 -1.964) 2.572 12.009 ( 0.045 0.854 -4.192) 4.279 12.017 ( -0.752 0.891 -5.105) 5.236 12.213 ( 2.445 -0.828 -6.016) 6.546 12.261 ( -2.524 -1.094 -6.865) 7.396 16.017 ( 0.112 0.679 1.206) 1.388 16.021 ( -0.255 0.560 1.300) 1.438 16.115 ( 2.220 -0.281 1.637) 2.772 16.154 ( -1.903 -0.387 1.614) 2.525 22.614 ( 3.544 -10.604 0.900) 11.217 22.704 ( -5.726 -13.905 0.541) 15.048 23.095 ( 5.239 2.291 -0.245) 5.724 23.182 ( -4.167 -0.761 -0.076) 4.237 24.058 ( 6.479 11.806 -6.283) 14.861 24.135 ( 2.811 7.493 -18.046) 19.741 24.336 ( 11.551 11.622 -19.930) 25.801 24.583 ( -11.183 6.963 -20.494) 24.363 25.096 ( 0.252 0.761 9.413) 9.447 25.122 ( -2.972 0.026 8.675) 9.170 25.842 ( 14.187 -5.118 28.510) 32.253 26.157 ( -20.894 -10.731 37.627) 44.357 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 0.000 22.777 15.340) 27.461 1.258 ( 0.000 27.008 7.526) 28.037 2.238 ( 0.000 19.612 3.648) 19.948 2.268 ( 0.000 38.952 30.318) 49.360 2.429 ( 0.000 -2.899 -7.115) 7.683 2.441 ( 0.000 -4.436 5.652) 7.185 2.674 ( 0.000 8.039 5.838) 9.935 2.899 ( 0.000 -14.165 0.044) 14.165 3.229 ( 0.000 5.231 4.492) 6.895 3.442 ( 0.000 -23.534 -12.551) 26.672 3.605 ( 0.000 -2.058 -2.755) 3.439 3.803 ( 0.000 0.234 3.419) 3.427 3.938 ( 0.000 3.897 -7.417) 8.379 3.994 ( 0.000 7.140 -9.045) 11.524 4.080 ( 0.000 3.491 -4.485) 5.684 4.275 ( 0.000 9.656 -11.746) 15.206 4.384 ( 0.000 7.128 -10.156) 12.408 4.458 ( 0.000 -7.686 -0.235) 7.690 4.643 ( 0.000 8.133 2.074) 8.393 4.687 ( 0.000 -1.862 -2.214) 2.893 4.750 ( 0.000 -2.536 4.391) 5.070 4.864 ( 0.000 1.234 6.020) 6.145 4.974 ( 0.000 4.999 -11.021) 12.102 5.183 ( 0.000 -2.869 3.329) 4.395 5.202 ( 0.000 4.363 5.619) 7.114 5.340 ( 0.000 4.855 -5.331) 7.211 5.484 ( 0.000 -1.759 8.251) 8.437 5.560 ( 0.000 4.833 1.183) 4.976 5.603 ( 0.000 1.254 2.878) 3.140 5.758 ( 0.000 -2.023 0.761) 2.161 5.869 ( 0.000 -10.886 -4.696) 11.855 5.981 ( 0.000 4.930 -4.576) 6.726 6.021 ( 0.000 -6.961 0.355) 6.970 6.047 ( 0.000 -3.804 -3.457) 5.140 6.190 ( 0.000 -1.956 1.642) 2.554 6.295 ( 0.000 -1.398 -3.865) 4.110 6.304 ( 0.000 0.301 1.981) 2.004 6.404 ( 0.000 -2.556 -3.178) 4.078 6.700 ( 0.000 1.141 -4.854) 4.986 6.712 ( 0.000 -3.241 -0.173) 3.246 6.774 ( 0.000 -5.832 13.885) 15.060 6.978 ( 0.000 -4.212 -5.877) 7.230 7.220 ( 0.000 -3.313 3.755) 5.007 7.221 ( 0.000 -2.278 9.937) 10.195 7.555 ( 0.000 6.233 -10.191) 11.946 7.782 ( 0.000 -2.212 -2.446) 3.297 7.887 ( 0.000 -0.343 -3.107) 3.126 8.167 ( 0.000 4.878 8.318) 9.643 8.190 ( 0.000 7.388 -3.488) 8.170 8.296 ( 0.000 -10.779 -1.780) 10.925 8.431 ( 0.000 2.263 12.380) 12.585 8.643 ( 0.000 -4.089 4.906) 6.387 8.965 ( 0.000 1.607 2.212) 2.734 9.145 ( 0.000 1.125 -2.581) 2.816 9.481 ( 0.000 -5.284 1.977) 5.642 9.583 ( 0.000 -11.978 11.506) 16.609 10.812 ( 0.000 2.847 -1.159) 3.074 10.839 ( 0.000 2.599 -1.296) 2.904 11.025 ( 0.000 3.991 -6.438) 7.574 11.172 ( 0.000 0.050 -1.857) 1.858 11.245 ( 0.000 3.865 -0.574) 3.908 11.416 ( 0.000 -0.986 -2.189) 2.400 11.479 ( 0.000 -0.787 -1.477) 1.673 11.532 ( 0.000 0.159 -2.609) 2.614 12.029 ( 0.000 1.550 -4.554) 4.811 12.058 ( 0.000 0.825 -6.433) 6.486 12.139 ( 0.000 -1.303 -3.985) 4.193 12.274 ( 0.000 -2.631 -6.668) 7.168 16.035 ( 0.000 0.869 1.527) 1.757 16.046 ( 0.000 0.974 1.589) 1.864 16.051 ( 0.000 -0.082 1.217) 1.219 16.178 ( 0.000 -0.999 1.421) 1.738 22.581 ( 0.000 -9.861 1.039) 9.916 22.735 ( 0.000 -2.507 -1.390) 2.866 22.743 ( 0.000 -2.244 0.932) 2.430 23.020 ( 0.000 -13.700 2.145) 13.867 24.136 ( 0.000 21.163 -35.315) 41.171 24.327 ( 0.000 18.899 -7.359) 20.281 24.458 ( 0.000 7.866 -6.429) 10.159 24.878 ( 0.000 7.394 -7.010) 10.189 25.153 ( 0.000 3.859 12.050) 12.653 25.251 ( 0.000 -2.932 6.536) 7.164 25.445 ( 0.000 -4.220 15.684) 16.242 26.229 ( 0.000 -27.787 37.950) 47.035 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 4.414 20.590 16.201) 26.569 1.387 ( 12.145 25.164 6.202) 28.621 2.032 ( -17.251 9.450 7.588) 21.083 2.336 ( -4.778 14.262 -1.011) 15.075 2.409 ( 2.421 25.033 17.458) 30.615 2.479 ( 5.627 6.533 9.506) 12.834 2.714 ( 5.179 0.775 2.067) 5.630 2.867 ( -1.324 -12.400 1.923) 12.618 3.352 ( 9.386 0.699 2.076) 9.638 3.421 ( -0.456 -17.564 -8.436) 19.490 3.647 ( 1.310 -0.222 -4.890) 5.067 3.735 ( -8.977 11.604 3.038) 14.982 3.883 ( 0.176 -3.245 0.779) 3.342 4.006 ( -0.330 4.388 -13.038) 13.761 4.055 ( -2.565 0.271 -6.051) 6.578 4.281 ( 0.080 8.436 -10.443) 13.425 4.345 ( -2.765 3.368 -12.267) 13.018 4.433 ( -2.606 -4.381 0.367) 5.111 4.645 ( 0.164 3.231 3.272) 4.602 4.720 ( 2.301 -0.003 2.828) 3.645 4.772 ( 3.173 0.469 -4.222) 5.302 4.887 ( -1.799 6.016 1.461) 6.447 4.970 ( 3.600 1.603 -2.985) 4.944 5.169 ( -0.547 1.273 -1.210) 1.840 5.254 ( -3.294 1.734 0.057) 3.723 5.282 ( 3.108 0.904 4.326) 5.403 5.484 ( -2.207 2.536 4.500) 5.617 5.610 ( 7.083 0.553 -0.304) 7.111 5.661 ( 4.180 1.761 3.287) 5.602 5.768 ( 0.764 0.633 3.602) 3.736 5.875 ( 0.169 -10.405 -5.149) 11.611 5.933 ( -6.630 -5.493 -2.711) 9.027 5.967 ( -1.983 2.675 -4.242) 5.393 6.059 ( 0.867 -2.818 1.039) 3.126 6.164 ( -2.740 -3.947 1.423) 5.012 6.235 ( -3.932 -0.142 0.606) 3.981 6.306 ( -2.653 -3.053 -1.413) 4.285 6.393 ( -1.591 -3.219 -3.764) 5.202 6.648 ( -4.310 -2.986 6.198) 8.118 6.675 ( -1.101 -0.256 -0.135) 1.138 6.796 ( 4.646 -0.363 -2.212) 5.159 7.042 ( -2.097 -3.842 4.839) 6.525 7.205 ( 5.733 -3.932 -1.085) 7.035 7.295 ( 2.698 -4.889 3.076) 6.375 7.603 ( 5.399 5.759 -9.403) 12.277 7.791 ( 0.709 -1.774 -1.820) 2.639 7.898 ( 1.219 -0.622 -2.311) 2.686 8.125 ( -4.087 5.028 -3.009) 7.144 8.201 ( 0.968 5.141 4.290) 6.766 8.280 ( -1.171 -5.281 6.913) 8.777 8.493 ( 5.206 -2.053 7.086) 9.029 8.642 ( -0.282 -4.434 4.760) 6.512 8.984 ( 2.151 1.878 2.422) 3.744 9.141 ( -0.665 1.510 -1.821) 2.457 9.474 ( -0.537 -5.703 2.662) 6.316 9.558 ( -2.543 -10.163 10.176) 14.605 10.795 ( -0.588 2.883 -0.554) 2.994 10.879 ( 2.505 2.669 -2.456) 4.408 10.967 ( -4.338 4.774 -2.250) 6.832 11.151 ( -2.985 0.906 -2.214) 3.825 11.263 ( 2.356 2.113 -1.492) 3.499 11.424 ( -0.082 -0.922 -3.065) 3.202 11.466 ( -0.521 -0.627 -1.210) 1.459 11.528 ( -0.540 -0.127 -2.937) 2.989 12.031 ( 0.171 1.709 -4.550) 4.864 12.051 ( -0.567 1.149 -6.033) 6.167 12.155 ( 1.599 -1.266 -5.050) 5.447 12.262 ( -1.270 -2.453 -6.695) 7.243 16.033 ( -0.072 0.690 1.516) 1.667 16.041 ( -0.167 1.355 1.171) 1.799 16.072 ( 1.703 -0.278 1.562) 2.327 16.168 ( -1.000 -0.941 1.452) 1.999 22.538 ( -3.878 -5.473 0.140) 6.709 22.595 ( -5.423 -2.960 2.729) 6.754 22.903 ( 7.460 -6.997 -0.999) 10.277 23.034 ( 1.051 -12.906 1.834) 13.078 24.228 ( 8.221 16.524 -30.960) 36.044 24.339 ( 1.539 18.939 -8.929) 20.994 24.454 ( 0.120 7.977 -7.130) 10.700 24.847 ( -3.815 7.305 -9.974) 12.938 25.139 ( -1.354 2.508 12.054) 12.386 25.189 ( -4.130 -0.348 7.510) 8.578 25.540 ( 8.175 -5.551 17.861) 20.412 26.126 ( -10.061 -22.191 35.873) 43.365 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 12.812 14.935 15.363) 24.964 1.643 ( 3.989 17.261 8.073) 19.468 1.732 ( -3.401 13.597 6.805) 15.581 2.040 ( -19.721 16.483 -0.021) 25.702 2.518 ( 7.529 0.293 2.250) 7.864 2.652 ( -4.649 1.672 3.143) 5.856 2.756 ( 12.902 12.941 15.267) 23.812 2.906 ( 0.082 2.661 8.042) 8.471 3.383 ( -0.301 -4.086 -7.349) 8.414 3.459 ( -7.387 1.346 2.859) 8.034 3.593 ( 4.454 7.112 1.718) 8.566 3.656 ( -1.120 -2.117 -0.094) 2.397 3.914 ( -0.231 2.390 -6.392) 6.828 3.952 ( -4.610 0.298 -17.297) 17.903 4.084 ( 7.776 -6.544 0.405) 10.171 4.230 ( -5.918 -5.630 -5.800) 10.018 4.338 ( 0.969 9.161 -10.608) 14.049 4.370 ( -3.124 5.385 -5.530) 8.327 4.677 ( 3.271 -1.917 1.044) 3.932 4.725 ( -1.226 -1.235 3.999) 4.361 4.822 ( 1.542 5.430 -5.119) 7.620 4.863 ( -2.043 3.690 2.206) 4.760 5.034 ( 5.152 5.767 -4.476) 8.935 5.139 ( -4.321 6.548 -5.997) 9.874 5.241 ( 2.395 -2.693 5.285) 6.397 5.294 ( -2.462 -1.134 7.680) 8.144 5.516 ( 6.842 0.521 -3.613) 7.755 5.667 ( -6.249 -2.047 -6.442) 9.206 5.733 ( 3.634 3.707 6.926) 8.656 5.773 ( -0.712 5.004 6.657) 8.358 5.842 ( 3.949 -3.291 0.346) 5.152 5.912 ( -0.131 -8.671 -2.563) 9.042 5.942 ( 1.036 -6.421 -2.043) 6.817 6.053 ( -7.131 -4.298 1.535) 8.467 6.091 ( 1.182 0.651 1.904) 2.333 6.156 ( -4.685 0.605 1.909) 5.095 6.282 ( 1.673 -5.758 -4.458) 7.472 6.339 ( -3.780 -5.378 -4.567) 8.004 6.630 ( 1.331 -1.999 4.968) 5.518 6.659 ( -1.355 -1.481 3.592) 4.115 6.885 ( 4.829 1.506 -2.477) 5.633 6.968 ( -4.399 1.089 0.759) 4.595 7.293 ( 2.807 -6.630 -2.616) 7.661 7.318 ( -0.058 -5.743 -1.355) 5.901 7.727 ( 6.350 2.360 -5.825) 8.934 7.792 ( -1.105 -0.636 -1.963) 2.341 7.937 ( 3.566 0.514 -3.048) 4.719 8.031 ( -5.857 3.082 -5.729) 8.754 8.226 ( 1.673 2.984 7.348) 8.105 8.256 ( -1.502 -0.097 8.900) 9.026 8.580 ( 3.781 -4.804 4.992) 7.893 8.627 ( -1.495 -5.056 4.601) 6.997 9.042 ( 3.966 2.393 2.430) 5.231 9.110 ( -2.891 2.252 0.537) 3.704 9.472 ( 0.646 -6.312 4.231) 7.626 9.504 ( -2.799 -7.387 7.051) 10.589 10.802 ( 1.473 3.322 -0.230) 3.642 10.851 ( -3.719 4.073 -1.255) 5.657 10.981 ( 4.509 2.839 -0.871) 5.399 11.073 ( -5.067 2.056 -1.677) 5.720 11.322 ( 3.697 0.195 -2.187) 4.301 11.388 ( -3.238 -0.560 -2.385) 4.060 11.481 ( 1.570 -0.625 -2.694) 3.180 11.510 ( -1.378 -0.464 -3.198) 3.513 12.035 ( 0.305 1.863 -4.869) 5.222 12.042 ( -0.435 1.650 -5.501) 5.760 12.191 ( 2.188 -1.495 -6.215) 6.757 12.231 ( -2.071 -1.997 -6.654) 7.250 16.034 ( 0.184 0.995 1.333) 1.673 16.038 ( -0.198 1.291 1.202) 1.775 16.107 ( 2.027 -0.551 1.584) 2.631 16.143 ( -1.754 -0.780 1.524) 2.451 22.493 ( -0.366 -3.055 1.442) 3.398 22.521 ( -2.990 -4.556 2.565) 6.023 23.004 ( 3.655 -9.574 -0.182) 10.249 23.042 ( -0.580 -11.318 0.927) 11.371 24.330 ( 2.691 13.522 -12.659) 18.718 24.363 ( -0.623 14.618 -11.508) 18.615 24.538 ( 9.876 8.725 -17.668) 22.041 24.726 ( -9.229 7.049 -15.984) 19.757 25.121 ( -0.127 1.630 11.093) 11.213 25.137 ( -1.788 2.614 9.783) 10.283 25.710 ( 10.358 -8.356 23.422) 26.939 25.915 ( -11.905 -13.647 30.165) 35.184 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.000 24.174 10.059) 26.183 1.800 ( 0.000 29.079 -1.255) 29.106 2.370 ( 0.000 -2.647 5.511) 6.114 2.378 ( 0.000 -1.370 -2.722) 3.048 2.556 ( 0.000 -20.443 4.209) 20.872 2.630 ( 0.000 19.965 3.237) 20.225 2.841 ( 0.000 3.492 2.224) 4.140 2.973 ( 0.000 -18.612 -4.404) 19.126 3.012 ( 0.000 36.634 24.564) 44.107 3.221 ( 0.000 -5.942 6.683) 8.943 3.415 ( 0.000 -14.978 7.266) 16.648 3.861 ( 0.000 5.172 -10.795) 11.970 4.063 ( 0.000 -2.137 -8.640) 8.901 4.073 ( 0.000 6.858 -19.388) 20.565 4.105 ( 0.000 -7.475 -2.907) 8.021 4.175 ( 0.000 -10.548 -1.254) 10.622 4.469 ( 0.000 7.710 -8.312) 11.337 4.513 ( 0.000 3.266 -8.855) 9.438 4.740 ( 0.000 9.237 0.961) 9.287 4.810 ( 0.000 6.540 3.121) 7.247 4.815 ( 0.000 9.279 2.349) 9.572 4.916 ( 0.000 3.874 4.685) 6.080 5.058 ( 0.000 1.590 0.304) 1.619 5.169 ( 0.000 3.647 -4.203) 5.565 5.263 ( 0.000 1.740 9.144) 9.308 5.367 ( 0.000 -4.932 -7.813) 9.239 5.439 ( 0.000 -2.685 6.223) 6.778 5.552 ( 0.000 -11.140 -5.175) 12.283 5.623 ( 0.000 0.613 2.626) 2.697 5.628 ( 0.000 1.302 -3.750) 3.969 5.853 ( 0.000 -4.984 -0.716) 5.035 5.901 ( 0.000 5.448 1.211) 5.581 5.922 ( 0.000 -6.039 -6.251) 8.692 6.045 ( 0.000 -0.252 -5.397) 5.403 6.144 ( 0.000 -2.350 3.076) 3.871 6.277 ( 0.000 -3.085 -0.322) 3.102 6.333 ( 0.000 2.560 4.587) 5.253 6.383 ( 0.000 1.812 -0.480) 1.875 6.606 ( 0.000 -8.961 12.864) 15.677 6.632 ( 0.000 -5.348 3.234) 6.249 6.759 ( 0.000 3.466 -4.905) 6.006 6.904 ( 0.000 -3.487 -7.818) 8.561 7.171 ( 0.000 -1.377 4.014) 4.244 7.194 ( 0.000 -1.156 6.136) 6.244 7.672 ( 0.000 5.916 -7.369) 9.450 7.767 ( 0.000 0.150 -2.804) 2.808 7.883 ( 0.000 0.081 -4.736) 4.737 8.083 ( 0.000 -10.648 -3.477) 11.201 8.272 ( 0.000 6.324 5.960) 8.690 8.324 ( 0.000 6.328 0.362) 6.339 8.460 ( 0.000 0.176 9.706) 9.707 8.542 ( 0.000 -6.327 4.098) 7.538 9.016 ( 0.000 3.839 2.810) 4.758 9.146 ( 0.000 -0.854 0.048) 0.855 9.377 ( 0.000 -4.996 3.705) 6.220 9.393 ( 0.000 -7.690 9.510) 12.231 10.872 ( 0.000 2.918 -1.688) 3.371 10.886 ( 0.000 2.044 -1.808) 2.729 11.092 ( 0.000 3.076 -3.158) 4.408 11.167 ( 0.000 -0.686 -0.922) 1.150 11.316 ( 0.000 3.409 -1.083) 3.577 11.398 ( 0.000 -0.943 -2.477) 2.650 11.463 ( 0.000 -0.518 -2.860) 2.906 11.514 ( 0.000 -1.875 -3.786) 4.225 12.074 ( 0.000 2.779 -5.871) 6.495 12.076 ( 0.000 0.964 -6.247) 6.321 12.120 ( 0.000 -0.602 -4.927) 4.964 12.216 ( 0.000 -3.399 -6.253) 7.118 16.043 ( 0.000 0.238 1.801) 1.816 16.049 ( 0.000 -0.094 1.402) 1.405 16.078 ( 0.000 2.072 1.177) 2.383 16.153 ( 0.000 -1.575 1.300) 2.042 22.473 ( 0.000 -1.397 1.693) 2.195 22.661 ( 0.000 -6.333 -2.467) 6.796 22.713 ( 0.000 -0.765 1.314) 1.520 22.794 ( 0.000 -8.042 4.385) 9.160 24.403 ( 0.000 8.582 -23.777) 25.278 24.499 ( 0.000 2.823 -11.625) 11.963 24.721 ( 0.000 15.432 -6.287) 16.664 25.010 ( 0.000 5.220 -7.857) 9.433 25.177 ( 0.000 -4.041 9.584) 10.401 25.239 ( 0.000 2.959 16.291) 16.557 25.380 ( 0.000 -0.123 12.610) 12.610 25.804 ( 0.000 -17.951 27.766) 33.064 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.434 22.926 10.362) 25.162 1.896 ( 9.244 27.529 -0.586) 29.045 2.169 ( -14.438 5.872 6.561) 16.911 2.389 ( -1.068 -4.959 2.486) 5.650 2.508 ( -4.181 -18.989 3.527) 19.761 2.630 ( -7.661 15.319 -1.434) 17.188 2.878 ( 7.104 10.838 5.220) 13.971 2.979 ( 2.268 -24.507 -6.832) 25.542 3.100 ( 8.246 32.750 21.227) 39.889 3.254 ( 2.336 -9.427 5.680) 11.251 3.515 ( 9.063 -13.807 6.190) 17.637 3.832 ( -2.738 6.436 -8.428) 10.952 3.963 ( -5.638 -3.815 -15.218) 16.671 4.100 ( -2.394 4.480 -6.135) 7.965 4.130 ( 1.494 6.532 -10.901) 12.796 4.179 ( 0.911 -11.976 5.473) 13.199 4.452 ( -1.636 5.416 -8.533) 10.238 4.496 ( -0.252 8.103 -6.569) 10.434 4.674 ( -4.728 3.051 -1.198) 5.753 4.807 ( -1.081 5.926 3.220) 6.831 4.852 ( 3.982 6.458 -0.452) 7.600 4.982 ( -2.618 -0.295 -3.041) 4.023 5.013 ( 4.323 6.913 5.539) 9.857 5.187 ( 1.808 1.927 -2.414) 3.579 5.261 ( -4.178 -1.110 1.472) 4.567 5.339 ( 1.322 3.881 2.986) 5.072 5.479 ( 3.330 -9.862 0.218) 10.412 5.581 ( -2.082 0.890 -1.951) 2.989 5.618 ( 5.582 -7.805 -3.838) 10.335 5.676 ( 3.217 -0.984 0.754) 3.448 5.821 ( -2.751 -4.742 -2.124) 5.879 5.892 ( 0.003 4.703 0.242) 4.709 5.951 ( -5.848 -1.068 -1.323) 6.090 5.982 ( 1.646 -3.894 -4.434) 6.126 6.110 ( -3.717 -2.732 1.037) 4.729 6.252 ( -2.396 -2.623 -0.936) 3.674 6.297 ( -3.402 3.592 3.978) 6.349 6.359 ( -3.509 2.031 1.716) 4.403 6.556 ( -2.074 -6.262 9.008) 11.165 6.613 ( -1.720 -6.070 6.001) 8.708 6.822 ( 5.676 3.017 -5.329) 8.350 6.968 ( 4.398 -3.766 -5.306) 7.854 7.149 ( -0.838 -1.415 2.152) 2.709 7.214 ( 0.594 -3.568 3.379) 4.950 7.709 ( 3.807 5.214 -7.560) 9.941 7.790 ( 2.142 0.993 -2.290) 3.289 7.888 ( 0.714 -0.276 -4.535) 4.599 8.076 ( -1.428 -8.624 -4.307) 9.745 8.279 ( 0.642 5.626 6.248) 8.432 8.311 ( -0.970 6.151 3.039) 6.929 8.474 ( 1.344 -1.500 7.905) 8.158 8.539 ( -0.356 -6.187 4.231) 7.504 9.039 ( 2.487 3.994 3.175) 5.675 9.156 ( 0.868 0.311 0.728) 1.175 9.356 ( -1.522 -6.008 5.750) 8.454 9.393 ( -0.654 -6.929 6.636) 9.617 10.863 ( 0.091 3.794 -1.008) 3.926 10.921 ( 2.585 1.374 -2.399) 3.785 11.047 ( -4.032 3.666 -1.217) 5.584 11.146 ( -2.485 -1.261 -1.390) 3.114 11.320 ( 0.720 3.350 -1.593) 3.779 11.410 ( 0.720 -0.699 -3.295) 3.445 11.450 ( -1.067 -0.723 -2.302) 2.638 11.506 ( -0.913 -2.059 -3.815) 4.431 12.074 ( 0.097 1.854 -6.161) 6.435 12.078 ( 0.149 2.373 -5.599) 6.083 12.132 ( 1.144 -1.167 -5.551) 5.787 12.208 ( -0.862 -3.178 -6.315) 7.122 16.045 ( 0.351 0.601 1.564) 1.711 16.064 ( 1.253 -0.255 1.480) 1.956 16.076 ( -0.201 1.801 1.245) 2.199 16.145 ( -0.834 -1.469 1.331) 2.150 22.469 ( -0.157 -0.051 1.590) 1.598 22.609 ( -4.632 2.165 1.210) 5.254 22.733 ( 2.519 -10.229 -0.261) 10.537 22.821 ( 1.458 -8.322 2.871) 8.923 24.451 ( 4.530 7.647 -20.936) 22.744 24.532 ( 3.855 3.359 -12.389) 13.402 24.690 ( -3.150 13.915 -7.077) 15.926 24.959 ( -6.002 2.503 -10.441) 12.300 25.150 ( 0.167 1.403 13.191) 13.266 25.266 ( -0.006 6.568 13.898) 15.372 25.423 ( 4.847 -5.765 14.113) 15.997 25.762 ( -4.371 -16.332 26.260) 31.232 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 6.743 18.384 11.378) 22.647 1.909 ( -12.624 12.651 10.354) 20.654 2.114 ( 13.578 23.177 -0.887) 26.876 2.348 ( -7.163 3.562 0.212) 8.003 2.430 ( -5.441 -2.701 2.122) 6.435 2.436 ( -5.028 -7.530 4.658) 10.182 3.017 ( 5.586 2.602 -0.314) 6.170 3.039 ( 2.758 -16.634 -4.573) 17.470 3.234 ( 4.640 16.926 11.349) 20.900 3.273 ( -0.482 -6.787 5.394) 8.683 3.691 ( 9.359 -10.535 0.458) 14.099 3.802 ( -0.772 6.550 -7.326) 9.857 3.877 ( -2.362 -5.138 -1.342) 5.812 3.976 ( -9.404 14.326 1.953) 17.248 4.152 ( 1.589 7.028 -10.113) 12.417 4.186 ( -1.223 -0.824 -1.856) 2.370 4.455 ( 2.279 3.660 -6.437) 7.748 4.496 ( -1.026 7.103 -7.773) 10.580 4.640 ( 2.201 -1.820 -1.179) 3.090 4.735 ( -6.160 0.177 2.495) 6.648 4.923 ( 2.429 5.147 -1.283) 5.834 4.940 ( -0.404 5.437 -1.485) 5.650 5.104 ( 3.856 1.667 -2.012) 4.657 5.163 ( -3.285 -2.356 -0.882) 4.138 5.260 ( 3.350 1.997 0.994) 4.025 5.325 ( -3.060 5.011 3.816) 7.002 5.550 ( 4.202 -0.351 -3.855) 5.713 5.582 ( 1.793 -8.309 -1.042) 8.564 5.686 ( -0.221 -7.332 0.851) 7.385 5.722 ( -0.492 -4.179 -3.600) 5.537 5.804 ( -0.590 -3.795 -1.848) 4.262 5.812 ( -0.219 1.131 -1.128) 1.612 5.905 ( 0.236 3.539 4.174) 5.477 5.972 ( -5.668 -2.195 2.904) 6.736 6.092 ( 4.085 -5.071 -4.523) 7.928 6.186 ( -5.203 -3.772 -2.373) 6.851 6.249 ( -0.456 5.377 3.432) 6.395 6.281 ( -3.646 4.590 3.772) 6.970 6.555 ( 1.117 -5.973 7.308) 9.504 6.581 ( -1.665 -6.546 7.234) 9.897 6.931 ( 5.522 3.350 -4.143) 7.673 7.001 ( -1.431 2.281 -2.683) 3.801 7.159 ( 1.992 -6.712 -2.396) 7.400 7.201 ( -1.927 -6.111 -0.656) 6.441 7.787 ( 3.680 3.720 -6.309) 8.196 7.820 ( 0.215 3.125 -3.310) 4.557 7.926 ( 3.969 -2.003 -4.115) 6.058 8.017 ( -4.860 -4.484 -4.869) 8.211 8.291 ( 0.618 4.705 6.493) 8.042 8.300 ( -0.367 5.080 5.824) 7.737 8.502 ( 1.557 -4.219 5.795) 7.335 8.526 ( -1.055 -5.707 4.701) 7.469 9.101 ( 3.844 3.994 3.745) 6.690 9.156 ( -1.549 2.955 2.738) 4.316 9.341 ( 0.357 -7.015 5.163) 8.717 9.367 ( -1.923 -6.809 5.068) 8.703 10.883 ( 2.127 4.745 -0.481) 5.223 10.935 ( -2.699 4.425 -1.601) 5.425 11.012 ( 2.425 0.200 -0.442) 2.473 11.082 ( -4.155 -1.257 -1.371) 4.553 11.347 ( 2.204 2.390 -2.453) 4.073 11.392 ( -2.348 1.162 -3.248) 4.172 11.455 ( 1.385 -2.131 -2.727) 3.728 11.483 ( -1.526 -2.254 -3.559) 4.481 12.077 ( 0.205 2.146 -5.916) 6.296 12.079 ( -0.049 2.531 -5.564) 6.112 12.158 ( 1.595 -1.946 -6.231) 6.720 12.186 ( -1.450 -2.627 -6.399) 7.067 16.055 ( 0.682 1.132 1.374) 1.907 16.067 ( -0.553 1.627 1.230) 2.114 16.094 ( 1.684 -0.817 1.514) 2.407 16.124 ( -1.474 -1.190 1.412) 2.363 22.479 ( 1.539 2.410 1.916) 3.442 22.528 ( -3.754 3.814 2.280) 5.817 22.787 ( 2.853 -11.956 0.421) 12.299 22.825 ( -1.075 -10.674 1.522) 10.835 24.536 ( 4.542 8.154 -13.460) 16.380 24.618 ( -4.402 10.999 -9.469) 15.167 24.649 ( 8.425 2.691 -14.455) 16.946 24.814 ( -9.084 1.345 -12.481) 15.496 25.184 ( 2.798 5.932 12.750) 14.338 25.236 ( -2.620 7.699 13.055) 15.381 25.535 ( 6.785 -9.837 18.041) 21.640 25.659 ( -6.550 -13.015 22.510) 26.814 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 0.000 -22.415 6.486) 23.335 2.129 ( 0.000 22.415 6.486) 23.335 2.303 ( 0.000 -11.652 -0.240) 11.654 2.303 ( 0.000 11.652 -0.240) 11.654 2.427 ( 0.000 -16.679 -4.291) 17.222 2.427 ( 0.000 16.679 -4.291) 17.222 3.008 ( 0.000 -16.219 3.295) 16.550 3.008 ( 0.000 16.219 3.295) 16.550 3.121 ( 0.000 -14.267 10.614) 17.782 3.121 ( 0.000 14.267 10.614) 17.782 3.652 ( 0.000 -29.855 19.806) 35.827 3.652 ( 0.000 29.855 19.806) 35.827 3.970 ( 0.000 -6.080 -11.481) 12.991 3.970 ( 0.000 6.080 -11.481) 12.991 4.159 ( 0.000 -1.681 -20.557) 20.626 4.159 ( 0.000 1.681 -20.557) 20.626 4.539 ( 0.000 -0.723 -7.809) 7.843 4.539 ( 0.000 0.723 -7.809) 7.843 4.878 ( 0.000 -0.965 6.382) 6.455 4.878 ( 0.000 0.965 6.382) 6.455 4.977 ( 0.000 -0.776 -4.297) 4.367 4.977 ( 0.000 0.776 -4.297) 4.367 5.111 ( 0.000 -12.621 3.733) 13.161 5.111 ( 0.000 12.621 3.733) 13.161 5.283 ( 0.000 -3.023 1.719) 3.477 5.283 ( 0.000 3.023 1.719) 3.477 5.430 ( 0.000 -4.219 -3.552) 5.515 5.430 ( 0.000 4.219 -3.552) 5.515 5.621 ( 0.000 -0.102 0.387) 0.401 5.621 ( 0.000 0.102 0.387) 0.401 5.824 ( 0.000 -3.269 -6.079) 6.903 5.824 ( 0.000 3.269 -6.079) 6.903 6.023 ( 0.000 -2.724 -2.710) 3.843 6.023 ( 0.000 2.724 -2.710) 3.843 6.167 ( 0.000 -6.195 5.492) 8.279 6.167 ( 0.000 6.195 5.492) 8.279 6.394 ( 0.000 -3.202 3.493) 4.739 6.394 ( 0.000 3.202 3.493) 4.739 6.532 ( 0.000 -3.435 6.526) 7.375 6.532 ( 0.000 3.435 6.526) 7.375 6.834 ( 0.000 -4.003 -7.300) 8.326 6.834 ( 0.000 4.003 -7.300) 8.326 7.171 ( 0.000 -1.034 4.680) 4.793 7.171 ( 0.000 1.034 4.680) 4.793 7.759 ( 0.000 -2.162 -2.890) 3.609 7.759 ( 0.000 2.162 -2.890) 3.609 7.922 ( 0.000 -5.307 -6.262) 8.209 7.922 ( 0.000 5.307 -6.262) 8.209 8.396 ( 0.000 -4.254 5.428) 6.897 8.396 ( 0.000 4.254 5.428) 6.897 8.435 ( 0.000 -0.621 3.941) 3.990 8.435 ( 0.000 0.621 3.941) 3.990 9.100 ( 0.000 -4.144 2.178) 4.682 9.100 ( 0.000 4.144 2.178) 4.682 9.318 ( 0.000 -0.283 6.655) 6.661 9.318 ( 0.000 0.283 6.655) 6.661 10.905 ( 0.000 -0.330 -2.040) 2.066 10.905 ( 0.000 0.330 -2.040) 2.066 11.142 ( 0.000 -2.054 -1.194) 2.376 11.142 ( 0.000 2.054 -1.194) 2.376 11.370 ( 0.000 -2.169 -1.481) 2.627 11.370 ( 0.000 2.169 -1.481) 2.627 11.474 ( 0.000 -1.762 -4.247) 4.598 11.474 ( 0.000 1.762 -4.247) 4.598 12.093 ( 0.000 -0.728 -6.286) 6.328 12.093 ( 0.000 0.728 -6.286) 6.328 12.149 ( 0.000 -3.398 -5.552) 6.509 12.149 ( 0.000 3.398 -5.552) 6.509 16.047 ( 0.000 -0.141 1.610) 1.616 16.047 ( 0.000 0.141 1.610) 1.616 16.118 ( 0.000 -2.040 1.212) 2.372 16.118 ( 0.000 2.040 1.212) 2.372 22.521 ( 0.000 -6.040 0.526) 6.063 22.521 ( 0.000 6.040 0.526) 6.063 22.719 ( 0.000 -1.468 2.338) 2.761 22.719 ( 0.000 1.468 2.338) 2.761 24.503 ( 0.000 -2.381 -16.328) 16.500 24.503 ( 0.000 2.381 -16.328) 16.500 24.964 ( 0.000 -9.480 -7.907) 12.344 24.964 ( 0.000 9.480 -7.907) 12.344 25.194 ( 0.000 -4.765 13.503) 14.319 25.194 ( 0.000 4.765 13.503) 14.319 25.519 ( 0.000 -12.176 19.154) 22.697 25.519 ( 0.000 12.176 19.154) 22.697 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -2.192 -22.024 6.488) 23.064 2.099 ( -2.192 22.024 6.488) 23.064 2.268 ( -5.359 -4.551 3.715) 7.952 2.268 ( -5.359 4.551 3.715) 7.952 2.452 ( 5.010 -25.710 -4.348) 26.552 2.452 ( 5.010 25.710 -4.348) 26.552 2.933 ( -6.712 -12.122 1.296) 13.916 2.933 ( -6.712 12.122 1.296) 13.916 3.231 ( 9.684 -13.235 8.183) 18.328 3.231 ( 9.684 13.235 8.183) 18.328 3.673 ( 0.093 -25.345 13.110) 28.535 3.673 ( 0.093 25.345 13.110) 28.535 3.957 ( 1.251 -6.619 -7.267) 9.909 3.957 ( 1.251 6.619 -7.267) 9.909 4.191 ( 1.940 -0.965 -15.738) 15.887 4.191 ( 1.940 0.965 -15.738) 15.886 4.537 ( 0.130 -2.839 -7.436) 7.961 4.537 ( 0.130 2.839 -7.436) 7.961 4.810 ( -7.600 -6.458 4.568) 10.969 4.810 ( -7.600 6.458 4.568) 10.969 4.956 ( 1.087 -2.816 -3.630) 4.721 4.956 ( 1.087 2.816 -3.630) 4.721 5.193 ( 3.380 -11.850 1.711) 12.441 5.193 ( 3.380 11.850 1.711) 12.441 5.234 ( -1.273 -1.196 1.552) 2.336 5.234 ( -1.273 1.196 1.552) 2.336 5.467 ( 2.358 -7.995 -0.915) 8.385 5.467 ( 2.358 7.995 -0.915) 8.385 5.632 ( 0.994 -2.724 -0.996) 3.066 5.632 ( 0.994 2.724 -0.996) 3.066 5.825 ( 0.329 -4.498 -5.370) 7.013 5.825 ( 0.329 4.498 -5.370) 7.013 5.983 ( -3.749 -2.896 -2.786) 5.496 5.983 ( -3.749 2.896 -2.786) 5.496 6.138 ( -2.902 -7.311 4.229) 8.930 6.138 ( -2.902 7.311 4.229) 8.930 6.392 ( -0.250 -4.779 4.201) 6.368 6.392 ( -0.250 4.779 4.201) 6.368 6.493 ( -3.257 -4.686 7.383) 9.332 6.493 ( -3.257 4.686 7.383) 9.332 6.893 ( 5.569 -4.066 -7.129) 9.918 6.893 ( 5.569 4.066 -7.129) 9.918 7.158 ( -1.633 -2.079 3.089) 4.066 7.158 ( -1.633 2.079 3.089) 4.066 7.787 ( 2.970 -2.327 -3.597) 5.214 7.787 ( 2.970 2.327 -3.597) 5.214 7.929 ( 0.358 -5.552 -5.320) 7.697 7.929 ( 0.358 5.552 -5.320) 7.697 8.398 ( 0.149 -4.192 5.421) 6.854 8.398 ( 0.149 4.192 5.421) 6.854 8.426 ( -0.811 -2.961 4.099) 5.121 8.426 ( -0.811 2.961 4.099) 5.121 9.125 ( 2.678 -4.136 2.671) 5.605 9.125 ( 2.678 4.136 2.671) 5.605 9.304 ( -1.579 -1.724 6.222) 6.647 9.304 ( -1.579 1.724 6.222) 6.647 10.919 ( 1.560 -1.670 -1.793) 2.905 10.919 ( 1.560 1.670 -1.793) 2.905 11.107 ( -3.427 -2.657 -0.880) 4.424 11.107 ( -3.427 2.657 -0.880) 4.424 11.379 ( 0.902 -2.610 -1.921) 3.364 11.379 ( 0.902 2.610 -1.921) 3.364 11.462 ( -1.237 -1.998 -4.025) 4.660 11.462 ( -1.237 1.998 -4.025) 4.660 12.100 ( 0.747 -1.139 -6.300) 6.445 12.100 ( 0.747 1.139 -6.300) 6.445 12.145 ( -0.430 -3.171 -5.687) 6.525 12.145 ( -0.430 3.171 -5.687) 6.525 16.056 ( 0.884 -0.538 1.554) 1.867 16.056 ( 0.884 0.538 1.554) 1.867 16.113 ( -0.581 -1.900 1.237) 2.340 16.113 ( -0.581 1.900 1.237) 2.340 22.538 ( 1.841 -6.938 0.780) 7.220 22.538 ( 1.841 6.938 0.780) 7.220 22.697 ( -2.198 -4.913 2.246) 5.832 22.697 ( -2.198 4.913 2.246) 5.832 24.542 ( 4.105 -2.136 -15.400) 16.080 24.542 ( 4.105 2.136 -15.400) 16.080 24.899 ( -6.009 -7.713 -7.750) 12.477 24.899 ( -6.009 7.713 -7.750) 12.477 25.246 ( 4.659 -6.863 13.053) 15.466 25.246 ( 4.659 6.863 13.053) 15.466 25.494 ( -2.652 -11.678 18.472) 22.015 25.494 ( -2.652 11.678 18.472) 22.015 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 1.216 -18.569 7.087) 19.912 2.085 ( 1.216 18.569 7.087) 19.912 2.152 ( -5.848 -12.528 6.637) 15.336 2.152 ( -5.848 12.528 6.637) 15.336 2.596 ( 9.688 -24.388 -2.877) 26.399 2.596 ( 9.688 24.388 -2.877) 26.399 2.779 ( -9.789 -19.181 -1.054) 21.561 2.779 ( -9.789 19.181 -1.054) 21.561 3.424 ( 10.592 -13.990 3.581) 17.909 3.424 ( 10.592 13.990 3.581) 17.909 3.597 ( -7.726 -16.160 2.193) 18.046 3.597 ( -7.726 16.160 2.193) 18.046 4.061 ( 8.285 -11.008 0.557) 13.789 4.061 ( 8.285 11.008 0.557) 13.789 4.182 ( -3.712 -5.222 -6.605) 9.202 4.182 ( -3.712 5.222 -6.605) 9.202 4.560 ( 2.909 -5.370 -5.683) 8.343 4.560 ( 2.909 5.370 -5.683) 8.343 4.658 ( -7.669 -7.378 -0.527) 10.655 4.658 ( -7.669 7.378 -0.527) 10.655 5.014 ( 4.790 -1.219 -2.846) 5.704 5.014 ( 4.790 1.219 -2.846) 5.704 5.115 ( -5.838 -1.378 -1.580) 6.203 5.115 ( -5.838 1.378 -1.580) 6.203 5.344 ( 7.198 -9.092 2.693) 11.905 5.344 ( 7.198 9.092 2.693) 11.905 5.455 ( -4.140 -8.687 2.281) 9.890 5.455 ( -4.140 8.687 2.281) 9.890 5.682 ( 5.051 -4.135 -4.145) 7.732 5.682 ( 5.051 4.135 -4.145) 7.732 5.790 ( -5.394 -3.345 -3.462) 7.230 5.790 ( -5.394 3.345 -3.462) 7.230 5.965 ( 3.450 -6.204 -1.933) 7.357 5.965 ( 3.450 6.204 -1.933) 7.357 6.060 ( -5.512 -7.291 1.255) 9.226 6.060 ( -5.512 7.291 1.255) 9.226 6.398 ( 1.326 -6.558 6.075) 9.037 6.398 ( 1.326 6.558 6.075) 9.037 6.437 ( -2.688 -6.029 7.517) 10.004 6.437 ( -2.688 6.029 7.517) 10.004 7.006 ( 6.168 -3.683 -5.008) 8.757 7.006 ( 6.168 3.683 -5.008) 8.757 7.104 ( -4.321 -3.027 -0.975) 5.365 7.104 ( -4.321 3.027 -0.975) 5.365 7.856 ( 4.094 -2.833 -4.113) 6.457 7.856 ( 4.094 2.833 -4.113) 6.457 7.916 ( -2.070 -4.581 -4.366) 6.658 7.916 ( -2.070 4.581 -4.366) 6.658 8.402 ( 0.351 -4.347 5.204) 6.790 8.402 ( 0.351 4.347 5.204) 6.790 8.412 ( -0.696 -4.392 4.628) 6.418 8.412 ( -0.696 4.392 4.628) 6.418 9.189 ( 3.988 -3.740 3.833) 6.677 9.189 ( 3.988 3.740 3.833) 6.677 9.259 ( -3.315 -2.901 5.146) 6.774 9.259 ( -3.315 2.901 5.146) 6.774 10.963 ( 3.192 -2.885 -1.191) 4.464 10.963 ( 3.192 2.885 -1.191) 4.464 11.033 ( -4.289 -3.272 -0.725) 5.443 11.033 ( -4.289 3.272 -0.725) 5.443 11.402 ( 1.554 -2.852 -2.709) 4.230 11.402 ( 1.554 2.852 -2.709) 4.230 11.433 ( -1.792 -2.505 -3.453) 4.627 11.433 ( -1.792 2.505 -3.453) 4.627 12.117 ( 0.994 -1.861 -6.230) 6.577 12.117 ( 0.994 1.861 -6.230) 6.577 12.134 ( -0.811 -2.592 -5.985) 6.572 12.134 ( -0.811 2.592 -5.985) 6.572 16.076 ( 1.244 -1.041 1.430) 2.163 16.076 ( 1.244 1.041 1.430) 2.163 16.098 ( -1.061 -1.528 1.312) 2.277 16.098 ( -1.061 1.528 1.312) 2.277 22.585 ( 3.096 -8.128 1.364) 8.804 22.585 ( 3.096 8.128 1.364) 8.804 22.645 ( -3.308 -7.693 1.923) 8.592 22.645 ( -3.308 7.693 1.923) 8.592 24.643 ( 6.657 -3.077 -12.969) 14.899 24.643 ( 6.657 3.077 -12.969) 14.899 24.773 ( -7.328 -5.283 -9.935) 13.428 24.773 ( -7.328 5.283 -9.935) 13.428 25.339 ( 5.154 -8.881 14.508) 17.774 25.339 ( 5.154 8.881 14.508) 17.774 25.427 ( -4.426 -10.455 16.695) 20.190 25.427 ( -4.426 10.455 16.695) 20.190 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.000 0.000 29.856) 29.856 1.328 ( 0.000 0.000 31.374) 31.374 1.788 ( 0.000 0.000 -0.541) 0.541 2.223 ( 0.000 0.000 32.972) 32.972 2.350 ( 0.000 0.000 5.639) 5.639 2.562 ( 0.000 0.000 1.499) 1.499 2.642 ( 0.000 0.000 -8.066) 8.066 2.761 ( 0.000 0.000 11.015) 11.015 3.092 ( 0.000 0.000 0.360) 0.360 3.463 ( 0.000 0.000 -22.322) 22.322 3.521 ( 0.000 0.000 -12.225) 12.225 3.681 ( 0.000 0.000 -22.281) 22.281 3.701 ( 0.000 0.000 -12.632) 12.632 3.998 ( 0.000 0.000 -3.359) 3.359 4.152 ( 0.000 0.000 2.340) 2.340 4.205 ( 0.000 0.000 0.610) 0.610 4.230 ( 0.000 0.000 23.375) 23.375 4.364 ( 0.000 0.000 2.591) 2.591 4.481 ( 0.000 0.000 -10.077) 10.077 4.525 ( 0.000 0.000 -14.458) 14.458 4.559 ( 0.000 0.000 3.581) 3.581 4.740 ( 0.000 0.000 4.765) 4.765 4.910 ( 0.000 0.000 -2.459) 2.459 5.207 ( 0.000 0.000 4.392) 4.392 5.306 ( 0.000 0.000 4.842) 4.842 5.344 ( 0.000 0.000 -2.861) 2.861 5.535 ( 0.000 0.000 -2.978) 2.978 5.624 ( 0.000 0.000 5.033) 5.033 5.745 ( 0.000 0.000 0.418) 0.418 5.822 ( 0.000 0.000 0.627) 0.627 5.885 ( 0.000 0.000 13.588) 13.588 5.951 ( 0.000 0.000 -6.021) 6.021 5.987 ( 0.000 0.000 -1.421) 1.421 6.104 ( 0.000 0.000 -14.167) 14.167 6.128 ( 0.000 0.000 -2.044) 2.044 6.213 ( 0.000 0.000 -3.891) 3.891 6.349 ( 0.000 0.000 0.974) 0.974 6.467 ( 0.000 0.000 -3.644) 3.644 6.675 ( 0.000 0.000 -6.251) 6.251 6.718 ( 0.000 0.000 -3.803) 3.803 6.841 ( 0.000 0.000 2.061) 2.061 6.963 ( 0.000 0.000 -6.863) 6.863 7.269 ( 0.000 0.000 -1.267) 1.267 7.317 ( 0.000 0.000 -1.356) 1.356 7.370 ( 0.000 0.000 -2.279) 2.279 7.742 ( 0.000 0.000 -9.406) 9.406 7.926 ( 0.000 0.000 0.811) 0.811 8.300 ( 0.000 0.000 14.810) 14.810 8.353 ( 0.000 0.000 13.438) 13.438 8.386 ( 0.000 0.000 -0.336) 0.336 8.641 ( 0.000 0.000 11.997) 11.997 8.841 ( 0.000 0.000 7.487) 7.487 8.989 ( 0.000 0.000 2.508) 2.508 9.024 ( 0.000 0.000 0.802) 0.802 9.610 ( 0.000 0.000 0.658) 0.658 9.941 ( 0.000 0.000 -11.514) 11.514 10.744 ( 0.000 0.000 -1.272) 1.272 10.753 ( 0.000 0.000 -0.936) 0.936 10.782 ( 0.000 0.000 -0.266) 0.266 11.080 ( 0.000 0.000 -5.164) 5.164 11.178 ( 0.000 0.000 1.740) 1.740 11.424 ( 0.000 0.000 -0.969) 0.969 11.456 ( 0.000 0.000 -3.035) 3.035 11.482 ( 0.000 0.000 -1.167) 1.167 11.861 ( 0.000 0.000 -9.230) 9.230 11.878 ( 0.000 0.000 -8.223) 8.223 12.166 ( 0.000 0.000 -7.448) 7.448 12.295 ( 0.000 0.000 0.604) 0.604 16.038 ( 0.000 0.000 1.780) 1.780 16.079 ( 0.000 0.000 1.356) 1.356 16.090 ( 0.000 0.000 2.942) 2.942 16.232 ( 0.000 0.000 1.721) 1.721 22.792 ( 0.000 0.000 -0.047) 0.047 22.793 ( 0.000 0.000 -0.226) 0.226 22.839 ( 0.000 0.000 3.103) 3.103 23.041 ( 0.000 0.000 -0.983) 0.983 23.399 ( 0.000 0.000 2.302) 2.302 23.526 ( 0.000 0.000 -4.826) 4.826 24.184 ( 0.000 0.000 -6.981) 6.981 24.410 ( 0.000 0.000 -17.218) 17.218 25.330 ( 0.000 0.000 14.033) 14.033 25.519 ( 0.000 0.000 12.601) 12.601 26.009 ( 0.000 0.000 25.416) 25.416 27.565 ( 0.000 0.000 -1.000) 1.000 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 3.324 0.000 28.393) 28.587 1.401 ( 7.648 0.000 28.610) 29.614 1.803 ( 0.555 0.000 2.329) 2.394 2.077 ( -18.368 0.000 -0.462) 18.374 2.417 ( 17.330 0.000 43.844) 47.145 2.588 ( -5.547 0.000 1.866) 5.853 2.674 ( -5.428 0.000 -4.616) 7.126 2.774 ( 13.812 0.000 -5.690) 14.938 3.228 ( 10.853 0.000 3.625) 11.443 3.433 ( -7.788 0.000 -15.939) 17.740 3.471 ( 0.792 0.000 -20.581) 20.596 3.677 ( -0.186 0.000 -21.764) 21.765 3.722 ( -2.140 0.000 0.141) 2.144 3.927 ( -13.507 0.000 13.577) 19.151 3.946 ( -5.550 0.000 -2.311) 6.012 4.259 ( -0.278 0.000 0.417) 0.501 4.294 ( 5.638 0.000 -3.558) 6.666 4.352 ( -0.454 0.000 -0.459) 0.645 4.475 ( -1.256 0.000 -9.447) 9.531 4.521 ( 3.683 0.000 -9.464) 10.156 4.628 ( 3.581 0.000 6.411) 7.343 4.750 ( 1.180 0.000 4.003) 4.173 4.888 ( -2.208 0.000 -1.633) 2.746 5.086 ( -9.915 0.000 -1.803) 10.077 5.352 ( 4.655 0.000 3.875) 6.057 5.478 ( 10.268 0.000 2.651) 10.605 5.560 ( 2.324 0.000 -1.699) 2.879 5.634 ( 0.833 0.000 3.572) 3.668 5.691 ( -5.358 0.000 -2.985) 6.133 5.825 ( -0.589 0.000 5.219) 5.252 5.878 ( -0.183 0.000 8.514) 8.516 5.950 ( -0.117 0.000 -1.736) 1.740 5.987 ( 2.077 0.000 -1.445) 2.530 6.032 ( -2.469 0.000 -8.180) 8.545 6.210 ( 4.570 0.000 -7.556) 8.830 6.295 ( 3.683 0.000 -2.141) 4.260 6.320 ( -2.859 0.000 1.694) 3.324 6.448 ( -1.987 0.000 -4.017) 4.481 6.593 ( -8.157 0.000 -3.289) 8.795 6.670 ( -4.413 0.000 -1.678) 4.722 6.744 ( 1.676 0.000 -4.762) 5.049 7.214 ( -1.912 0.000 -2.602) 3.228 7.240 ( 9.627 0.000 -4.725) 10.724 7.281 ( 1.240 0.000 -1.441) 1.901 7.362 ( -0.832 0.000 -2.242) 2.391 7.722 ( -1.917 0.000 -12.010) 12.162 7.970 ( 4.413 0.000 2.501) 5.072 8.305 ( 0.547 0.000 14.718) 14.728 8.336 ( -5.061 0.000 3.047) 5.907 8.348 ( -0.508 0.000 13.615) 13.624 8.713 ( 6.262 0.000 7.027) 9.412 8.850 ( 0.793 0.000 6.909) 6.954 8.992 ( 0.315 0.000 2.299) 2.321 9.020 ( -0.378 0.000 0.924) 0.998 9.621 ( 1.326 0.000 0.818) 1.558 9.890 ( -5.256 0.000 -7.580) 9.224 10.745 ( 0.079 0.000 -1.223) 1.226 10.752 ( -0.080 0.000 -0.952) 0.956 10.802 ( 2.243 0.000 -0.454) 2.288 11.044 ( -3.712 0.000 -3.771) 5.291 11.208 ( 3.175 0.000 -0.437) 3.205 11.430 ( 0.620 0.000 -0.996) 1.173 11.434 ( -2.368 0.000 -3.264) 4.032 11.476 ( -0.551 0.000 -1.155) 1.280 11.864 ( 0.506 0.000 -7.925) 7.941 11.891 ( 0.980 0.000 -8.516) 8.572 12.153 ( -1.309 0.000 -7.103) 7.222 12.224 ( -6.097 0.000 1.314) 6.237 16.039 ( 0.066 0.000 1.731) 1.732 16.061 ( -0.910 0.000 1.894) 2.101 16.118 ( 2.056 0.000 2.289) 3.077 16.223 ( -1.023 0.000 1.773) 2.047 22.743 ( 1.874 0.000 -0.780) 2.030 22.868 ( 3.150 0.000 2.935) 4.305 23.001 ( -2.590 0.000 -1.734) 3.117 23.136 ( 25.093 0.000 -7.783) 26.272 23.254 ( -9.833 0.000 1.074) 9.892 23.680 ( 10.799 0.000 -3.723) 11.423 24.145 ( -4.159 0.000 -6.680) 7.869 24.325 ( -9.396 0.000 -18.151) 20.439 25.330 ( 0.071 0.000 14.142) 14.143 25.455 ( -5.245 0.000 13.917) 14.872 26.147 ( 13.453 0.000 24.603) 28.041 27.332 ( -22.386 0.000 8.563) 23.968 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 12.102 0.000 20.909) 24.159 1.580 ( 10.976 0.000 21.914) 24.509 1.737 ( -17.893 0.000 10.449) 20.721 1.755 ( -6.703 0.000 12.064) 13.801 2.525 ( 0.328 0.000 -1.449) 1.486 2.583 ( -4.750 0.000 -8.447) 9.691 2.797 ( 21.129 0.000 30.236) 36.887 2.973 ( 5.424 0.000 -0.826) 5.487 3.293 ( -5.051 0.000 -13.878) 14.768 3.406 ( 7.361 0.000 -1.234) 7.464 3.440 ( -19.730 0.000 20.257) 28.278 3.477 ( -0.936 0.000 -13.748) 13.780 3.697 ( 3.448 0.000 -16.165) 16.528 3.813 ( -8.081 0.000 -4.555) 9.276 3.936 ( 8.354 0.000 -6.096) 10.342 4.120 ( -10.646 0.000 -6.270) 12.355 4.370 ( 2.469 0.000 -4.942) 5.524 4.429 ( -3.419 0.000 -8.034) 8.731 4.477 ( 11.077 0.000 -2.087) 11.272 4.627 ( -4.027 0.000 1.895) 4.450 4.665 ( 10.063 0.000 -2.609) 10.395 4.786 ( 2.625 0.000 2.100) 3.362 4.839 ( -3.010 0.000 0.103) 3.012 4.875 ( -12.424 0.000 -3.746) 12.977 5.456 ( 6.344 0.000 0.212) 6.348 5.575 ( -6.502 0.000 -2.605) 7.004 5.606 ( 2.423 0.000 0.509) 2.476 5.638 ( -0.793 0.000 1.855) 2.018 5.660 ( 8.484 0.000 6.379) 10.614 5.778 ( -4.427 0.000 8.502) 9.585 5.892 ( 1.864 0.000 2.215) 2.895 5.942 ( -3.463 0.000 -2.930) 4.536 6.028 ( 7.999 0.000 -2.364) 8.341 6.099 ( 6.046 0.000 -0.837) 6.104 6.209 ( -5.179 0.000 -1.407) 5.367 6.210 ( -10.518 0.000 -1.287) 10.597 6.324 ( 3.967 0.000 -3.759) 5.465 6.397 ( -3.557 0.000 -4.581) 5.800 6.556 ( 2.444 0.000 -3.682) 4.419 6.608 ( -2.961 0.000 -2.321) 3.762 6.831 ( 8.039 0.000 -2.582) 8.443 7.018 ( -11.579 0.000 0.514) 11.591 7.310 ( 1.751 0.000 -1.801) 2.511 7.341 ( -1.507 0.000 -2.096) 2.582 7.506 ( 11.934 0.000 -12.092) 16.989 7.661 ( -5.368 0.000 -13.696) 14.711 8.077 ( 7.153 0.000 4.863) 8.649 8.217 ( -7.573 0.000 5.225) 9.201 8.319 ( 0.880 0.000 14.443) 14.469 8.335 ( -0.856 0.000 14.026) 14.052 8.815 ( 4.114 0.000 4.141) 5.837 8.856 ( -0.576 0.000 5.255) 5.286 9.000 ( 0.552 0.000 1.802) 1.885 9.011 ( -0.590 0.000 1.280) 1.409 9.669 ( 4.207 0.000 0.811) 4.284 9.773 ( -6.742 0.000 -1.547) 6.917 10.747 ( 0.146 0.000 -1.113) 1.123 10.750 ( -0.148 0.000 -1.010) 1.021 10.865 ( 4.529 0.000 -1.197) 4.684 10.958 ( -5.318 0.000 -2.264) 5.780 11.285 ( 4.862 0.000 -2.856) 5.639 11.372 ( -4.332 0.000 -3.541) 5.594 11.445 ( 0.968 0.000 -1.058) 1.434 11.463 ( -0.926 0.000 -1.118) 1.451 11.881 ( 1.281 0.000 -6.542) 6.666 11.900 ( -0.329 0.000 -7.252) 7.259 12.127 ( -1.078 0.000 -5.482) 5.587 12.136 ( -2.629 0.000 -1.701) 3.132 16.041 ( 0.256 0.000 1.718) 1.737 16.048 ( -0.523 0.000 1.813) 1.887 16.158 ( 2.220 0.000 2.097) 3.054 16.196 ( -1.836 0.000 1.914) 2.652 22.816 ( 5.343 0.000 -1.441) 5.534 22.919 ( -5.542 0.000 -1.481) 5.737 22.952 ( 6.038 0.000 2.454) 6.517 23.085 ( -8.409 0.000 1.742) 8.587 23.638 ( 26.892 0.000 -17.346) 32.001 23.873 ( 9.992 0.000 -4.725) 11.053 24.036 ( -7.648 0.000 -5.855) 9.632 24.064 ( -19.100 0.000 -19.388) 27.216 25.337 ( 0.981 0.000 14.435) 14.468 25.374 ( -3.203 0.000 14.624) 14.970 26.458 ( 20.166 0.000 23.861) 31.242 26.875 ( -25.137 0.000 19.995) 32.119 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.000 8.665 27.117) 28.468 1.387 ( 0.000 6.603 29.760) 30.484 1.940 ( 0.000 14.687 0.362) 14.691 2.260 ( 0.000 -0.507 -7.453) 7.470 2.487 ( 0.000 19.828 43.931) 48.199 2.599 ( 0.000 3.728 2.693) 4.599 2.743 ( 0.000 -1.459 11.181) 11.276 2.784 ( 0.000 10.624 -9.954) 14.558 3.153 ( 0.000 5.785 1.584) 5.998 3.457 ( 0.000 -4.422 -19.328) 19.828 3.467 ( 0.000 -4.443 -11.124) 11.979 3.631 ( 0.000 -3.786 -15.109) 15.576 3.697 ( 0.000 0.862 -21.576) 21.593 4.013 ( 0.000 0.634 -3.266) 3.327 4.112 ( 0.000 -6.135 1.311) 6.274 4.168 ( 0.000 2.193 -0.839) 2.348 4.169 ( 0.000 -4.799 18.796) 19.399 4.370 ( 0.000 -2.247 -2.831) 3.615 4.498 ( 0.000 8.861 3.940) 9.698 4.520 ( 0.000 0.496 -14.971) 14.980 4.763 ( 0.000 11.319 0.198) 11.321 4.773 ( 0.000 3.079 3.326) 4.532 4.937 ( 0.000 2.600 -4.271) 5.000 5.167 ( 0.000 -3.741 3.752) 5.298 5.301 ( 0.000 -0.212 4.530) 4.535 5.324 ( 0.000 -1.760 0.201) 1.772 5.533 ( 0.000 -0.293 -2.515) 2.532 5.630 ( 0.000 0.754 4.562) 4.624 5.753 ( 0.000 0.474 3.609) 3.640 5.788 ( 0.000 -2.459 -0.236) 2.470 5.884 ( 0.000 0.070 5.312) 5.312 5.941 ( 0.000 -3.952 -4.473) 5.969 5.987 ( 0.000 -0.573 -3.447) 3.494 6.106 ( 0.000 -0.857 -0.467) 0.976 6.133 ( 0.000 2.594 -10.889) 11.194 6.214 ( 0.000 -0.473 -2.677) 2.719 6.322 ( 0.000 -1.742 0.245) 1.759 6.389 ( 0.000 -5.054 -3.997) 6.444 6.663 ( 0.000 -1.103 -5.957) 6.058 6.684 ( 0.000 -5.168 -1.625) 5.417 6.870 ( 0.000 3.607 -0.682) 3.671 6.938 ( 0.000 -2.625 -6.443) 6.958 7.298 ( 0.000 0.069 -2.435) 2.436 7.311 ( 0.000 2.117 -0.952) 2.321 7.427 ( 0.000 4.114 2.954) 5.065 7.784 ( 0.000 3.592 -12.256) 12.772 7.890 ( 0.000 -3.009 0.912) 3.144 8.088 ( 0.000 -14.092 9.811) 17.170 8.334 ( 0.000 2.825 13.316) 13.612 8.511 ( 0.000 0.925 5.340) 5.419 8.653 ( 0.000 1.251 12.039) 12.104 8.817 ( 0.000 -2.531 6.554) 7.026 8.995 ( 0.000 0.748 2.655) 2.758 9.063 ( 0.000 3.899 0.492) 3.930 9.589 ( 0.000 -2.198 1.237) 2.522 9.877 ( 0.000 -6.358 -6.108) 8.816 10.751 ( 0.000 0.767 -1.442) 1.634 10.758 ( 0.000 0.869 -2.191) 2.357 10.824 ( 0.000 3.957 -1.449) 4.214 11.089 ( 0.000 0.874 -4.948) 5.024 11.192 ( 0.000 1.443 0.902) 1.702 11.406 ( 0.000 -1.764 -1.481) 2.303 11.449 ( 0.000 -0.753 -3.116) 3.206 11.478 ( 0.000 -0.508 -2.211) 2.269 11.868 ( 0.000 0.715 -8.738) 8.767 11.886 ( 0.000 0.775 -8.045) 8.082 12.153 ( 0.000 -1.351 -7.556) 7.676 12.213 ( 0.000 -6.814 1.216) 6.922 16.045 ( 0.000 0.773 1.696) 1.863 16.079 ( 0.000 0.062 1.417) 1.418 16.091 ( 0.000 0.036 2.874) 2.875 16.227 ( 0.000 -0.574 1.676) 1.771 22.752 ( 0.000 -2.142 -1.028) 2.376 22.754 ( 0.000 -5.095 -1.041) 5.200 22.880 ( 0.000 -9.586 2.550) 9.919 23.130 ( 0.000 22.223 -5.473) 22.887 23.312 ( 0.000 -6.354 1.852) 6.618 23.774 ( 0.000 19.510 -7.495) 20.900 24.217 ( 0.000 3.182 -7.502) 8.149 24.483 ( 0.000 6.846 -16.384) 17.757 25.357 ( 0.000 3.001 14.590) 14.895 25.509 ( 0.000 -1.047 13.037) 13.079 25.967 ( 0.000 -4.231 24.708) 25.068 27.303 ( 0.000 -24.091 8.172) 25.439 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 3.921 8.695 24.884) 26.649 1.477 ( 8.172 7.496 27.800) 29.930 1.942 ( -0.751 13.542 3.525) 14.014 2.095 ( -15.061 2.405 -1.168) 15.297 2.576 ( 6.370 12.170 27.769) 30.980 2.643 ( -0.560 6.662 16.358) 17.671 2.675 ( 0.489 1.597 -3.581) 3.951 2.858 ( 8.327 7.382 -3.846) 11.774 3.261 ( 7.054 2.131 0.691) 7.401 3.377 ( -4.219 -2.122 -12.813) 13.655 3.491 ( 1.198 -2.837 -19.363) 19.607 3.676 ( 3.084 -1.362 -14.384) 14.774 3.695 ( -0.037 -0.229 -14.104) 14.106 3.903 ( -12.858 0.304 12.498) 17.934 4.023 ( -7.754 6.285 0.496) 9.994 4.104 ( -2.693 -8.799 -0.983) 9.254 4.258 ( 6.644 -4.168 3.700) 8.672 4.385 ( 1.437 -2.674 -6.350) 7.038 4.468 ( -2.751 2.643 -11.114) 11.751 4.570 ( 5.488 6.594 0.326) 8.585 4.770 ( 0.991 7.000 -0.009) 7.069 4.788 ( 0.012 5.730 2.960) 6.450 4.908 ( -2.916 1.914 -3.354) 4.839 5.072 ( -7.628 -0.969 -0.289) 7.695 5.340 ( 3.914 -1.013 3.430) 5.302 5.423 ( 7.150 -4.410 4.467) 9.515 5.564 ( 2.700 0.193 -0.867) 2.842 5.634 ( 0.033 -0.165 3.176) 3.181 5.712 ( -3.630 1.657 -2.775) 4.860 5.815 ( 2.153 -0.991 1.767) 2.956 5.868 ( -0.591 -2.695 4.251) 5.068 5.918 ( -1.184 1.128 1.627) 2.307 5.978 ( 0.480 -5.180 -5.010) 7.222 6.070 ( -0.961 3.881 -2.466) 4.698 6.189 ( 3.730 -1.951 -7.177) 8.321 6.272 ( -0.867 -3.126 1.192) 3.456 6.298 ( -0.523 -0.856 -1.038) 1.444 6.379 ( -1.679 -4.741 -4.190) 6.546 6.583 ( -3.905 -0.667 -4.286) 5.836 6.709 ( -5.060 1.664 -0.186) 5.330 6.737 ( 2.510 -0.077 -4.175) 4.872 7.144 ( 6.490 -4.991 -7.486) 11.094 7.219 ( -5.166 -1.157 -0.296) 5.302 7.320 ( 1.195 2.094 -3.388) 4.158 7.431 ( 2.195 4.921 1.387) 5.564 7.753 ( -2.382 2.401 -12.709) 13.151 7.934 ( 3.672 -2.380 2.244) 4.918 8.100 ( 0.428 -12.372 9.225) 15.438 8.344 ( 1.101 3.076 13.062) 13.464 8.483 ( -2.722 2.699 7.737) 8.635 8.701 ( 4.313 -1.091 8.560) 9.647 8.819 ( 0.130 -2.967 6.191) 6.866 9.007 ( 1.195 1.382 2.512) 3.106 9.062 ( -0.128 4.041 0.615) 4.089 9.597 ( 1.085 -2.420 1.445) 3.020 9.834 ( -4.485 -5.601 -3.684) 8.066 10.745 ( 0.023 0.457 -1.329) 1.406 10.768 ( 0.253 1.645 -2.185) 2.747 10.838 ( 1.832 3.434 -0.956) 4.008 11.058 ( -3.256 1.367 -4.014) 5.346 11.211 ( 2.310 0.486 -0.642) 2.446 11.400 ( -1.096 -2.164 -2.384) 3.401 11.439 ( -0.661 -0.353 -2.499) 2.608 11.472 ( -0.637 -0.581 -2.190) 2.353 11.873 ( 0.592 0.869 -7.787) 7.858 11.896 ( 0.807 0.545 -8.060) 8.118 12.140 ( -1.269 -1.312 -7.303) 7.528 12.168 ( -3.849 -4.740 0.669) 6.142 16.046 ( 0.058 0.765 1.668) 1.836 16.064 ( -0.776 0.288 1.892) 2.065 16.117 ( 1.955 -0.155 2.276) 3.004 16.218 ( -0.994 -0.545 1.732) 2.070 22.629 ( -2.313 -4.932 1.589) 5.674 22.821 ( -3.896 -11.673 1.793) 12.436 22.981 ( 8.386 -1.558 -0.408) 8.539 23.226 ( 4.239 2.944 -3.699) 6.349 23.343 ( 10.574 12.706 -7.183) 18.024 23.814 ( 3.908 14.651 -7.814) 17.059 24.191 ( -2.645 4.369 -7.330) 8.933 24.409 ( -7.995 7.675 -16.913) 20.221 25.354 ( -0.238 2.708 14.674) 14.924 25.450 ( -4.700 -0.417 14.353) 15.109 26.096 ( 12.491 -5.156 23.917) 27.471 27.123 ( -17.709 -19.666 13.699) 29.800 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 11.377 8.409 18.474) 23.268 1.666 ( 11.517 8.199 21.659) 25.865 1.797 ( -15.630 6.294 10.787) 20.007 1.867 ( -8.619 10.782 11.054) 17.684 2.550 ( 1.187 2.315 1.769) 3.146 2.619 ( -4.780 3.676 -4.699) 7.644 2.894 ( 14.993 6.154 11.918) 20.117 3.019 ( 4.858 4.726 6.895) 9.668 3.247 ( 0.422 -1.089 -5.239) 5.368 3.408 ( -3.254 4.065 1.838) 5.522 3.514 ( 0.629 0.627 -18.145) 18.167 3.552 ( -10.064 8.109 10.005) 16.344 3.722 ( 4.303 0.813 -10.369) 11.256 3.817 ( 0.335 -5.620 0.468) 5.649 3.894 ( -2.663 4.411 -10.960) 12.111 3.999 ( -7.812 -7.047 -7.406) 12.866 4.369 ( 2.980 -4.894 1.918) 6.042 4.393 ( -0.651 -3.124 -3.299) 4.590 4.512 ( 8.619 4.693 -8.927) 13.266 4.655 ( -0.729 2.683 -5.014) 5.733 4.734 ( -0.322 5.134 4.478) 6.820 4.829 ( -3.660 0.373 0.071) 3.679 4.833 ( 2.193 4.725 -3.600) 6.332 4.933 ( -6.624 5.108 -2.073) 8.617 5.431 ( 5.788 -2.244 1.271) 6.337 5.517 ( 1.197 -6.304 2.206) 6.785 5.562 ( -3.015 -1.872 3.440) 4.943 5.585 ( -2.095 -2.171 -0.852) 3.135 5.743 ( 4.928 3.973 1.564) 6.520 5.808 ( -2.131 2.986 5.461) 6.579 5.917 ( 0.964 1.079 0.746) 1.628 5.925 ( 2.526 -1.864 1.207) 3.364 5.994 ( 4.524 -4.257 -4.360) 7.590 6.104 ( 4.081 1.076 -0.073) 4.221 6.163 ( -9.521 -3.295 0.685) 10.099 6.195 ( -5.696 -1.945 -1.918) 6.317 6.281 ( 3.081 -3.939 -3.600) 6.161 6.340 ( -2.722 -4.577 -4.300) 6.845 6.594 ( 2.944 3.244 -3.533) 5.628 6.644 ( -2.618 2.801 -1.013) 3.965 6.829 ( 7.535 -0.375 -2.842) 8.061 7.003 ( -10.821 -1.620 -0.269) 10.945 7.272 ( 2.763 -3.456 -4.963) 6.649 7.313 ( -1.764 -2.023 -3.921) 4.751 7.557 ( 9.004 3.734 -8.063) 12.650 7.690 ( -5.144 2.299 -12.349) 13.574 8.011 ( 4.446 -4.758 5.791) 8.714 8.080 ( -2.685 -8.603 8.041) 12.078 8.375 ( 2.257 3.759 12.114) 12.883 8.425 ( -3.197 4.048 10.287) 11.507 8.776 ( 3.239 -3.312 5.700) 7.345 8.813 ( -1.005 -3.646 5.486) 6.663 9.034 ( 1.571 2.900 1.890) 3.801 9.056 ( -0.693 3.975 1.060) 4.171 9.639 ( 3.735 -3.099 1.704) 5.144 9.732 ( -6.031 -4.189 0.261) 7.348 10.752 ( 0.581 0.799 -1.084) 1.466 10.763 ( -0.580 1.548 -1.399) 2.166 10.894 ( 4.153 2.777 -1.486) 5.212 10.980 ( -4.893 2.124 -2.595) 5.932 11.274 ( 4.243 -0.937 -2.902) 5.225 11.352 ( -3.884 -1.828 -3.580) 5.590 11.441 ( 0.704 -0.520 -1.786) 1.989 11.457 ( -0.931 -0.656 -1.994) 2.296 11.889 ( 1.087 0.786 -6.580) 6.715 11.904 ( -0.197 0.471 -6.981) 7.000 12.113 ( -1.464 -2.102 -3.044) 3.979 12.115 ( -1.253 -1.294 -5.646) 5.926 16.048 ( 0.198 0.694 1.687) 1.834 16.053 ( -0.415 0.527 1.800) 1.921 16.155 ( 2.138 -0.327 2.076) 2.998 16.192 ( -1.778 -0.461 1.882) 2.630 22.646 ( 3.390 -8.454 2.214) 9.373 22.731 ( -5.348 -10.677 2.187) 12.140 23.096 ( 5.396 2.603 0.493) 6.012 23.188 ( -4.468 0.202 0.742) 4.534 23.690 ( 19.509 8.948 -18.283) 28.194 23.876 ( 0.402 6.102 -11.228) 12.786 24.137 ( -2.163 8.621 -7.613) 11.703 24.214 ( -11.281 11.088 -15.093) 21.864 25.354 ( 0.464 1.910 14.917) 15.046 25.380 ( -2.579 0.786 15.077) 15.316 26.381 ( 18.171 -7.723 23.385) 30.606 26.747 ( -21.446 -12.499 20.843) 32.412 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 0.000 14.301 22.529) 26.685 1.618 ( 0.000 15.770 21.820) 26.922 2.278 ( 0.000 2.775 -4.429) 5.227 2.283 ( 0.000 19.102 0.282) 19.104 2.648 ( 0.000 -0.305 13.613) 13.616 2.771 ( 0.000 6.642 3.160) 7.356 2.873 ( 0.000 -2.383 -2.084) 3.165 2.997 ( 0.000 28.870 36.329) 46.404 3.207 ( 0.000 -18.206 -9.001) 20.310 3.277 ( 0.000 5.267 -1.618) 5.510 3.439 ( 0.000 4.326 -11.937) 12.696 3.649 ( 0.000 2.780 -22.400) 22.572 3.682 ( 0.000 -2.634 -14.494) 14.732 3.950 ( 0.000 -11.666 5.838) 13.045 3.988 ( 0.000 -3.256 -4.446) 5.511 4.159 ( 0.000 5.344 2.729) 6.001 4.250 ( 0.000 5.896 -2.807) 6.530 4.408 ( 0.000 4.357 -3.289) 5.459 4.518 ( 0.000 0.849 -11.964) 11.994 4.692 ( 0.000 10.089 2.178) 10.322 4.851 ( 0.000 5.089 -1.109) 5.209 4.895 ( 0.000 1.311 5.296) 5.456 4.970 ( 0.000 -0.717 2.042) 2.164 5.121 ( 0.000 0.905 -8.440) 8.489 5.289 ( 0.000 -1.792 5.265) 5.562 5.314 ( 0.000 2.118 3.735) 4.294 5.525 ( 0.000 -0.352 -0.962) 1.025 5.646 ( 0.000 -0.457 5.186) 5.206 5.749 ( 0.000 -1.023 7.347) 7.418 5.750 ( 0.000 -3.649 -6.071) 7.084 5.796 ( 0.000 -6.196 2.126) 6.550 5.887 ( 0.000 -1.303 -4.891) 5.062 5.937 ( 0.000 -3.223 -6.726) 7.458 6.045 ( 0.000 -6.833 2.164) 7.167 6.201 ( 0.000 4.671 -4.901) 6.770 6.202 ( 0.000 0.071 -0.425) 0.431 6.334 ( 0.000 -1.168 -3.186) 3.394 6.336 ( 0.000 2.832 0.134) 2.835 6.583 ( 0.000 -4.000 -5.681) 6.948 6.645 ( 0.000 -0.327 -5.690) 5.699 6.862 ( 0.000 -5.358 -6.056) 8.085 6.915 ( 0.000 0.057 1.267) 1.269 7.258 ( 0.000 -2.765 -0.218) 2.774 7.405 ( 0.000 6.356 -3.838) 7.425 7.453 ( 0.000 -2.886 10.164) 10.566 7.789 ( 0.000 -3.663 -3.269) 4.910 7.837 ( 0.000 -2.186 -0.239) 2.199 7.947 ( 0.000 -0.140 -5.847) 5.848 8.386 ( 0.000 2.605 11.360) 11.655 8.458 ( 0.000 -4.005 9.049) 9.896 8.675 ( 0.000 0.329 10.877) 10.882 8.742 ( 0.000 -5.132 4.802) 7.028 9.025 ( 0.000 2.613 3.479) 4.351 9.143 ( 0.000 3.677 1.671) 4.039 9.532 ( 0.000 -3.506 2.806) 4.490 9.722 ( 0.000 -9.174 1.805) 9.350 10.779 ( 0.000 2.166 -2.015) 2.958 10.787 ( 0.000 2.044 -3.474) 4.030 10.920 ( 0.000 5.744 -2.885) 6.428 11.111 ( 0.000 1.399 -4.198) 4.425 11.231 ( 0.000 2.598 -0.751) 2.704 11.363 ( 0.000 -2.497 -2.680) 3.663 11.426 ( 0.000 -1.610 -3.447) 3.805 11.456 ( 0.000 -1.894 -4.376) 4.768 11.889 ( 0.000 1.483 -8.014) 8.150 11.906 ( 0.000 1.259 -7.578) 7.682 12.096 ( 0.000 -4.801 -0.746) 4.859 12.116 ( 0.000 -2.446 -7.781) 8.156 16.068 ( 0.000 1.580 1.586) 2.239 16.081 ( 0.000 0.135 1.590) 1.596 16.091 ( 0.000 0.033 2.653) 2.653 16.210 ( 0.000 -1.146 1.566) 1.941 22.605 ( 0.000 -7.681 1.017) 7.748 22.698 ( 0.000 -3.568 -2.014) 4.097 22.784 ( 0.000 -2.218 3.455) 4.106 23.085 ( 0.000 -11.035 4.078) 11.764 23.640 ( 0.000 23.170 -14.842) 27.516 24.138 ( 0.000 15.920 -10.539) 19.092 24.298 ( 0.000 6.251 -8.915) 10.888 24.632 ( 0.000 7.865 -15.704) 17.564 25.451 ( 0.000 7.006 16.078) 17.538 25.485 ( 0.000 -1.143 14.708) 14.752 25.855 ( 0.000 -7.200 22.874) 23.981 26.787 ( 0.000 -27.480 18.127) 32.920 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 4.395 16.087 17.990) 24.530 1.675 ( 7.438 13.084 23.480) 27.890 2.172 ( -10.132 5.975 2.915) 12.118 2.269 ( -2.978 18.413 0.773) 18.668 2.602 ( -4.943 -2.939 10.929) 12.350 2.748 ( -1.601 5.019 0.233) 5.273 2.864 ( 1.250 1.032 0.989) 1.899 3.087 ( 6.595 20.510 28.687) 35.876 3.218 ( 1.714 -13.371 -7.351) 15.354 3.307 ( 3.326 1.813 -7.651) 8.537 3.499 ( 5.249 7.973 -13.662) 16.666 3.642 ( -2.651 -5.083 -6.884) 8.958 3.707 ( 5.034 2.152 -18.811) 19.592 3.880 ( -5.173 -5.765 1.495) 7.889 4.051 ( -0.917 3.117 -0.600) 3.304 4.137 ( 2.422 0.291 2.372) 3.403 4.194 ( -6.464 6.144 0.663) 8.943 4.390 ( -1.828 2.628 -4.309) 5.368 4.503 ( 0.842 1.742 -11.684) 11.843 4.716 ( 1.538 7.015 0.646) 7.210 4.847 ( -0.735 3.349 -1.140) 3.613 4.882 ( -1.436 1.228 2.949) 3.502 4.956 ( -1.577 2.314 -1.712) 3.282 5.088 ( -2.163 3.382 -4.171) 5.789 5.316 ( 2.325 -2.259 4.798) 5.791 5.361 ( 3.784 -0.486 4.134) 5.625 5.564 ( 2.450 -0.226 -0.315) 2.481 5.624 ( -1.532 -1.261 5.007) 5.386 5.732 ( -3.004 -1.848 -7.427) 8.222 5.761 ( 3.637 -2.616 2.934) 5.355 5.830 ( 0.287 -7.470 -1.152) 7.563 5.873 ( 0.386 0.199 -1.180) 1.258 5.903 ( -0.275 -2.067 -0.409) 2.125 6.076 ( 2.258 -6.238 1.031) 6.713 6.148 ( -1.233 0.696 -2.375) 2.765 6.255 ( -1.560 1.657 0.866) 2.435 6.290 ( -4.949 0.057 -1.024) 5.054 6.312 ( -1.538 -1.438 -4.024) 4.542 6.597 ( 2.821 1.860 -4.904) 5.955 6.685 ( 2.005 -2.378 -3.389) 4.600 6.754 ( -2.497 0.283 -0.893) 2.667 7.040 ( 3.683 -6.518 -6.171) 9.702 7.189 ( -4.811 -1.868 -0.749) 5.215 7.345 ( -4.575 -0.500 0.334) 4.614 7.504 ( 4.669 3.107 0.630) 5.644 7.771 ( -1.057 -0.236 -5.152) 5.265 7.901 ( 4.126 -4.866 2.055) 6.703 7.938 ( -0.463 -1.031 -3.159) 3.355 8.397 ( 1.153 2.489 11.113) 11.447 8.464 ( 0.205 -2.847 8.933) 9.378 8.685 ( 1.162 -0.950 9.648) 9.764 8.742 ( -0.152 -5.058 4.989) 7.106 9.047 ( 2.346 3.085 3.488) 5.214 9.146 ( 0.223 4.133 1.836) 4.528 9.534 ( 0.376 -3.985 3.008) 5.007 9.694 ( -2.981 -8.473 2.400) 9.297 10.772 ( 0.241 2.380 -1.845) 3.021 10.811 ( 1.314 2.687 -3.306) 4.458 10.921 ( 0.427 4.885 -1.912) 5.263 11.088 ( -2.522 1.539 -3.902) 4.894 11.233 ( 0.528 1.828 -1.373) 2.346 11.354 ( -1.225 -2.470 -3.590) 4.526 11.421 ( -0.354 -1.465 -3.084) 3.433 11.450 ( -0.656 -1.825 -4.113) 4.547 11.895 ( 0.632 1.451 -7.562) 7.726 11.912 ( 0.581 1.179 -7.366) 7.482 12.081 ( -1.253 -3.837 -2.076) 4.539 12.105 ( -1.098 -2.343 -7.415) 7.853 16.068 ( -0.016 1.524 1.591) 2.203 16.072 ( -0.400 0.525 1.873) 1.986 16.113 ( 1.669 -0.306 2.225) 2.798 16.202 ( -0.900 -1.082 1.630) 2.153 22.551 ( -2.710 -3.915 1.122) 4.892 22.669 ( -3.589 -3.516 4.442) 6.706 22.878 ( 7.557 -7.336 -1.315) 10.614 23.088 ( -0.036 -10.516 3.410) 11.055 23.739 ( 10.092 20.814 -16.368) 28.337 24.136 ( -0.349 16.031 -11.215) 19.568 24.291 ( -0.534 6.078 -8.877) 10.772 24.570 ( -6.608 8.174 -15.844) 19.014 25.441 ( -1.065 6.320 16.215) 17.436 25.446 ( -2.836 0.609 15.719) 15.985 25.961 ( 10.111 -8.696 22.184) 25.884 26.685 ( -10.401 -24.157 19.497) 32.739 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 8.948 13.937 15.311) 22.555 1.868 ( 12.102 12.879 17.902) 25.156 1.961 ( -11.104 10.270 10.330) 18.316 2.120 ( -12.573 14.766 10.143) 21.886 2.580 ( 3.102 -0.749 4.302) 5.357 2.671 ( -5.716 -0.666 0.272) 5.761 2.955 ( 7.043 2.952 -1.321) 7.750 3.080 ( -5.720 3.107 0.736) 6.551 3.320 ( 7.663 -8.569 -6.997) 13.457 3.450 ( 2.353 -2.816 -3.749) 5.246 3.481 ( 3.822 7.957 -4.726) 10.013 3.699 ( -0.929 3.219 3.967) 5.193 3.736 ( -3.406 9.051 8.968) 13.189 3.786 ( 1.523 2.316 -9.228) 9.635 3.988 ( -2.164 6.501 -9.891) 12.032 4.042 ( -7.446 7.948 -8.668) 13.919 4.250 ( 6.157 -4.944 4.731) 9.204 4.339 ( -3.623 -1.268 -0.756) 3.912 4.583 ( 7.066 1.977 -8.125) 10.948 4.712 ( -4.432 1.637 -4.745) 6.696 4.797 ( -0.496 2.770 1.839) 3.362 4.847 ( -3.687 2.022 -2.227) 4.758 4.970 ( 3.809 7.450 -2.845) 8.838 5.043 ( -3.350 5.650 -3.396) 7.395 5.381 ( 4.463 -3.004 5.911) 7.993 5.418 ( 2.034 -2.775 2.258) 4.116 5.520 ( -2.938 -2.009 3.817) 5.219 5.564 ( -6.339 0.017 -3.345) 7.167 5.784 ( 6.685 -0.338 -1.131) 6.788 5.820 ( 1.375 -5.918 -4.224) 7.400 5.866 ( 2.454 -4.102 3.842) 6.133 5.873 ( 0.444 -6.097 -3.250) 6.923 5.936 ( 3.915 2.274 4.776) 6.581 6.084 ( -8.580 -4.973 0.087) 9.918 6.121 ( 2.896 -1.445 1.273) 3.478 6.192 ( -4.434 1.237 1.455) 4.828 6.211 ( 0.786 -0.405 -2.659) 2.802 6.265 ( -3.646 -1.665 -2.849) 4.918 6.660 ( 2.636 2.980 -1.893) 4.406 6.683 ( -0.482 0.659 0.931) 1.238 6.816 ( 6.665 -0.585 -4.298) 7.952 6.959 ( -8.377 -2.787 -2.482) 9.171 7.195 ( 3.036 -4.781 -6.430) 8.569 7.262 ( -4.265 -3.610 -3.749) 6.729 7.615 ( 6.828 2.550 -5.235) 8.973 7.724 ( -4.492 1.275 -7.365) 8.721 7.944 ( 0.879 -3.200 2.450) 4.124 7.949 ( 0.915 -4.156 3.213) 5.332 8.425 ( 1.738 1.729 10.468) 10.751 8.454 ( -1.231 -0.223 9.542) 9.624 8.712 ( 1.496 -3.375 7.150) 8.047 8.734 ( -0.809 -4.671 5.608) 7.343 9.101 ( 3.047 4.138 3.071) 5.986 9.141 ( -1.117 4.680 2.309) 5.337 9.557 ( 2.442 -5.272 3.511) 6.788 9.623 ( -4.343 -6.892 3.440) 8.843 10.788 ( 1.368 3.087 -1.309) 3.622 10.814 ( -1.034 3.689 -2.080) 4.359 10.954 ( 3.250 2.978 -1.784) 4.756 11.025 ( -4.075 2.117 -2.898) 5.430 11.261 ( 2.506 -0.109 -3.263) 4.116 11.314 ( -2.944 -1.786 -4.343) 5.542 11.422 ( 0.493 -1.480 -2.977) 3.361 11.435 ( -0.851 -1.664 -3.533) 3.997 11.909 ( 0.831 1.298 -6.747) 6.921 11.919 ( -0.072 1.132 -6.683) 6.778 12.067 ( -0.024 -2.513 -4.800) 5.418 12.081 ( -1.341 -2.148 -6.722) 7.183 16.068 ( -0.013 1.329 1.629) 2.103 16.068 ( -0.079 0.966 1.771) 2.019 16.146 ( 1.901 -0.634 2.014) 2.841 16.179 ( -1.601 -0.901 1.798) 2.571 22.541 ( 1.468 -2.899 3.125) 4.508 22.594 ( -4.003 -3.229 4.589) 6.893 23.001 ( 5.389 -9.664 -0.168) 11.066 23.070 ( -2.223 -10.020 1.827) 10.425 23.957 ( 11.882 15.782 -17.573) 26.440 24.106 ( -3.975 14.836 -13.926) 20.733 24.301 ( 2.674 7.603 -9.789) 12.679 24.415 ( -9.080 9.149 -14.189) 19.170 25.413 ( -0.577 3.015 16.386) 16.671 25.420 ( -1.039 5.254 16.213) 17.075 26.185 ( 13.786 -12.259 22.000) 28.711 26.448 ( -14.505 -17.691 21.414) 31.336 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 0.000 19.649 12.759) 23.428 1.956 ( 0.000 19.106 16.540) 25.271 2.354 ( 0.000 4.760 1.333) 4.943 2.493 ( 0.000 -0.629 4.609) 4.652 2.669 ( 0.000 -15.799 6.457) 17.067 2.693 ( 0.000 -4.343 1.692) 4.661 2.838 ( 0.000 1.281 6.109) 6.242 3.022 ( 0.000 10.695 2.308) 10.942 3.262 ( 0.000 -5.607 -5.797) 8.065 3.549 ( 0.000 15.352 15.455) 21.784 3.611 ( 0.000 4.157 -14.756) 15.331 3.641 ( 0.000 8.525 16.377) 18.463 3.680 ( 0.000 0.091 -23.947) 23.947 3.719 ( 0.000 -4.597 -2.655) 5.308 3.904 ( 0.000 -5.232 -4.517) 6.913 4.305 ( 0.000 7.147 -7.366) 10.263 4.349 ( 0.000 3.115 -1.676) 3.537 4.424 ( 0.000 -5.876 1.622) 6.096 4.588 ( 0.000 7.436 -10.462) 12.835 4.838 ( 0.000 -3.544 2.196) 4.169 4.852 ( 0.000 5.753 0.163) 5.756 4.964 ( 0.000 -0.263 -0.336) 0.427 4.979 ( 0.000 8.561 -7.087) 11.114 5.152 ( 0.000 0.767 -12.652) 12.676 5.258 ( 0.000 -1.121 8.561) 8.634 5.384 ( 0.000 3.954 3.773) 5.466 5.489 ( 0.000 -12.227 0.446) 12.235 5.526 ( 0.000 0.175 3.580) 3.584 5.664 ( 0.000 -1.456 6.161) 6.330 5.720 ( 0.000 -1.639 3.721) 4.066 5.775 ( 0.000 -7.412 -5.499) 9.229 5.810 ( 0.000 -2.060 -3.422) 3.994 5.928 ( 0.000 -0.876 1.633) 1.854 5.944 ( 0.000 1.578 -5.140) 5.377 6.216 ( 0.000 1.614 2.595) 3.056 6.299 ( 0.000 3.328 0.986) 3.471 6.315 ( 0.000 0.776 -4.366) 4.434 6.383 ( 0.000 1.544 0.006) 1.544 6.548 ( 0.000 0.000 -9.762) 9.762 6.651 ( 0.000 -0.440 -1.789) 1.842 6.748 ( 0.000 -5.000 -7.418) 8.946 6.857 ( 0.000 -5.780 4.985) 7.633 7.219 ( 0.000 -0.600 0.777) 0.982 7.343 ( 0.000 -6.431 7.424) 9.823 7.545 ( 0.000 8.115 -4.316) 9.192 7.756 ( 0.000 -0.479 0.716) 0.862 7.809 ( 0.000 -0.793 -1.530) 1.723 7.907 ( 0.000 -5.501 -9.239) 10.752 8.441 ( 0.000 3.430 9.468) 10.070 8.443 ( 0.000 3.185 8.035) 8.643 8.632 ( 0.000 -6.075 4.881) 7.793 8.644 ( 0.000 -3.695 7.804) 8.634 9.097 ( 0.000 4.687 4.939) 6.809 9.190 ( 0.000 1.196 3.707) 3.895 9.469 ( 0.000 -2.611 4.811) 5.474 9.555 ( 0.000 -7.648 5.672) 9.522 10.824 ( 0.000 2.148 -2.825) 3.549 10.826 ( 0.000 1.821 -3.746) 4.166 11.029 ( 0.000 5.382 -2.437) 5.908 11.135 ( 0.000 0.657 -2.572) 2.655 11.285 ( 0.000 2.840 -2.026) 3.489 11.322 ( 0.000 -1.269 -4.498) 4.674 11.390 ( 0.000 -2.211 -3.916) 4.497 11.405 ( 0.000 -3.333 -6.280) 7.110 11.924 ( 0.000 2.141 -7.746) 8.036 11.932 ( 0.000 1.382 -6.916) 7.053 12.029 ( 0.000 -2.351 -3.686) 4.372 12.063 ( 0.000 -2.952 -7.861) 8.397 16.084 ( 0.000 0.185 1.853) 1.863 16.090 ( 0.000 -0.000 2.511) 2.511 16.105 ( 0.000 2.050 1.364) 2.462 16.183 ( 0.000 -1.705 1.448) 2.236 22.512 ( 0.000 -1.841 1.787) 2.565 22.616 ( 0.000 -4.939 -1.915) 5.297 22.765 ( 0.000 0.178 4.025) 4.029 22.899 ( 0.000 -7.758 5.860) 9.723 23.999 ( 0.000 14.399 -15.332) 21.034 24.262 ( 0.000 -0.072 -11.323) 11.323 24.522 ( 0.000 13.412 -12.348) 18.231 24.745 ( 0.000 2.949 -16.042) 16.311 25.482 ( 0.000 1.399 17.755) 17.810 25.620 ( 0.000 8.562 19.141) 20.969 25.716 ( 0.000 -4.639 19.612) 20.153 26.304 ( 0.000 -22.772 20.310) 30.514 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 2.526 16.893 17.936) 24.768 1.990 ( 6.357 19.963 9.848) 23.150 2.293 ( -6.102 6.464 5.021) 10.209 2.497 ( 0.192 -2.406 5.795) 6.278 2.595 ( -6.202 -5.376 5.867) 10.089 2.661 ( -6.257 1.871 5.121) 8.299 2.847 ( 2.897 -14.831 -1.462) 15.182 3.023 ( 1.195 10.374 4.662) 11.436 3.253 ( -1.302 -5.027 -7.361) 9.008 3.484 ( -8.549 4.226 -2.570) 9.877 3.608 ( 1.130 3.810 -9.314) 10.127 3.663 ( 0.719 -11.653 -4.760) 12.608 3.729 ( 8.643 18.225 12.523) 23.742 3.795 ( 7.755 5.685 -7.809) 12.387 4.019 ( 8.714 -3.233 -1.069) 9.356 4.249 ( -4.409 7.477 -5.264) 10.151 4.372 ( -0.339 7.049 -4.887) 8.584 4.402 ( -2.056 -3.581 1.247) 4.313 4.546 ( -2.602 4.182 -7.582) 9.042 4.781 ( -3.663 -1.140 -2.723) 4.704 4.869 ( -0.473 2.862 -0.593) 2.961 4.941 ( -1.776 2.327 -1.054) 3.111 5.016 ( 3.124 5.381 -2.994) 6.905 5.148 ( -1.124 1.385 -9.690) 9.853 5.275 ( 2.297 -0.761 8.567) 8.902 5.404 ( 1.571 4.089 1.865) 4.761 5.506 ( 2.406 -11.518 1.947) 11.927 5.555 ( 2.522 -1.056 1.723) 3.231 5.645 ( -3.351 -1.879 2.783) 4.744 5.736 ( 4.492 -1.341 5.070) 6.905 5.744 ( -3.012 -5.767 -5.613) 8.592 5.808 ( -3.251 -1.256 -4.322) 5.552 5.916 ( 0.120 -3.080 -1.972) 3.660 5.959 ( 2.503 -1.603 0.444) 3.005 6.162 ( -4.903 1.226 2.019) 5.442 6.262 ( -3.726 -1.160 1.047) 4.041 6.337 ( -4.041 4.691 -0.963) 6.266 6.352 ( 1.912 5.071 -1.595) 5.650 6.592 ( 3.531 -2.828 -5.206) 6.897 6.662 ( 0.954 -1.124 -0.719) 1.641 6.752 ( 1.883 0.272 -3.849) 4.293 6.888 ( 2.558 -8.551 -1.710) 9.088 7.163 ( -5.072 -0.159 -0.579) 5.108 7.285 ( -5.392 -4.731 2.994) 7.773 7.590 ( 4.132 6.064 -3.597) 8.172 7.778 ( 1.245 0.768 -0.340) 1.502 7.816 ( 1.221 -3.376 -1.142) 3.767 7.909 ( 0.021 -3.836 -7.748) 8.645 8.449 ( 0.756 2.687 9.218) 9.632 8.452 ( 0.816 3.138 8.522) 9.118 8.632 ( -0.005 -5.603 5.571) 7.901 8.643 ( -0.171 -4.342 7.099) 8.323 9.126 ( 2.997 4.940 5.044) 7.670 9.208 ( 1.701 2.214 3.819) 4.731 9.458 ( -1.016 -3.427 4.859) 6.032 9.536 ( -2.093 -7.491 5.541) 9.550 10.827 ( 1.094 2.899 -2.642) 4.072 10.858 ( 2.467 1.793 -3.264) 4.467 11.012 ( -1.741 4.446 -1.953) 5.159 11.109 ( -2.712 0.308 -2.374) 3.617 11.277 ( -0.478 2.560 -2.438) 3.567 11.319 ( -0.583 -0.618 -5.243) 5.311 11.384 ( -0.342 -2.390 -3.874) 4.565 11.402 ( -0.363 -3.037 -5.590) 6.372 11.929 ( 0.455 1.997 -7.390) 7.668 11.938 ( 0.583 1.479 -7.070) 7.246 12.024 ( -0.455 -2.227 -4.444) 4.991 12.055 ( -0.838 -2.819 -7.710) 8.252 16.083 ( 0.142 0.619 1.979) 2.079 16.101 ( 0.270 1.223 1.792) 2.187 16.107 ( 0.755 0.320 1.817) 1.993 16.176 ( -0.728 -1.601 1.514) 2.320 22.507 ( 0.209 -0.000 1.908) 1.919 22.643 ( 0.627 -1.756 1.663) 2.499 22.746 ( -0.009 -4.316 2.137) 4.816 22.900 ( -0.424 -8.552 4.771) 9.802 24.065 ( 6.762 13.168 -15.585) 21.494 24.291 ( 3.183 1.104 -11.600) 12.079 24.484 ( -4.007 12.157 -12.368) 17.799 24.684 ( -6.351 2.902 -15.644) 17.132 25.480 ( 0.467 3.718 18.160) 18.542 25.611 ( -1.621 10.935 17.965) 21.093 25.782 ( 6.810 -9.232 20.053) 23.103 26.249 ( -5.817 -21.104 20.417) 29.934 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 5.481 13.981 15.645) 21.686 2.154 ( -4.569 12.265 10.704) 16.909 2.171 ( 8.785 15.805 8.723) 20.076 2.409 ( -13.043 13.030 7.348) 19.847 2.509 ( 0.966 -4.395 5.113) 6.811 2.553 ( -3.962 -9.042 6.354) 11.740 2.948 ( 7.145 -18.049 -3.152) 19.666 3.044 ( -1.197 -3.110 2.399) 4.106 3.227 ( 0.302 1.642 -9.437) 9.583 3.313 ( -8.296 5.854 -8.250) 13.083 3.650 ( 2.517 -3.300 -7.016) 8.152 3.677 ( -0.109 -9.082 -6.771) 11.329 3.900 ( 7.825 13.906 7.260) 17.530 3.929 ( 5.092 11.056 0.283) 12.175 4.154 ( 4.366 1.068 6.698) 8.066 4.175 ( -2.249 10.654 -2.239) 11.117 4.311 ( -4.075 10.842 -6.382) 13.224 4.334 ( -4.513 1.045 -4.055) 6.157 4.576 ( 5.392 -3.081 -4.617) 7.738 4.692 ( -6.264 -3.358 -5.555) 9.021 4.871 ( 1.361 4.919 -2.431) 5.653 4.907 ( -2.009 4.675 -1.628) 5.343 5.067 ( 2.218 1.556 -1.471) 3.083 5.108 ( -2.538 0.061 -4.686) 5.330 5.352 ( 5.369 1.220 6.904) 8.831 5.429 ( -0.561 3.489 3.219) 4.780 5.504 ( -0.664 0.666 -0.029) 0.941 5.565 ( -1.449 -2.772 -0.835) 3.238 5.657 ( -1.392 -5.799 -2.374) 6.418 5.700 ( -0.940 -7.679 -0.898) 7.788 5.738 ( 3.472 -6.547 -2.585) 7.848 5.813 ( 0.585 -3.024 2.483) 3.956 5.948 ( 2.581 -2.229 0.525) 3.450 6.025 ( 5.244 -4.787 -0.609) 7.127 6.045 ( -6.638 0.791 1.441) 6.838 6.155 ( -7.596 -3.544 -0.755) 8.416 6.311 ( 1.431 8.895 1.829) 9.194 6.350 ( -1.828 8.035 1.793) 8.433 6.641 ( 1.938 -4.783 1.055) 5.267 6.668 ( -0.762 -3.786 1.060) 4.005 6.833 ( 6.390 2.609 -5.047) 8.550 6.924 ( -0.990 -0.023 -4.562) 4.668 7.089 ( -0.232 -5.505 -4.148) 6.897 7.171 ( -6.618 -5.738 -2.347) 9.068 7.677 ( 5.012 4.271 -4.571) 8.016 7.757 ( -3.254 2.591 -4.074) 5.822 7.862 ( 2.843 -4.278 -0.738) 5.190 7.900 ( -1.185 -3.317 -3.430) 4.917 8.462 ( 0.556 2.472 9.135) 9.480 8.465 ( 0.354 2.439 8.874) 9.210 8.633 ( 0.197 -5.181 6.239) 8.112 8.638 ( -0.282 -5.026 6.417) 8.156 9.193 ( 3.636 5.430 4.874) 8.152 9.231 ( -0.065 4.763 4.255) 6.387 9.448 ( 0.504 -5.890 5.022) 7.756 9.485 ( -3.073 -7.145 5.305) 9.415 10.861 ( 2.457 4.154 -1.828) 5.161 10.893 ( 0.145 4.169 -2.220) 4.725 10.990 ( 0.750 0.603 -1.829) 2.066 11.044 ( -3.999 -0.423 -2.187) 4.577 11.278 ( 0.706 1.922 -3.886) 4.393 11.299 ( -1.400 0.637 -5.364) 5.580 11.384 ( 0.319 -2.540 -3.959) 4.714 11.393 ( -0.580 -2.728 -4.680) 5.448 11.939 ( 0.615 1.828 -6.941) 7.204 11.946 ( 0.053 1.679 -6.875) 7.078 12.021 ( 0.317 -2.265 -6.137) 6.550 12.036 ( -1.130 -2.512 -7.291) 7.794 16.089 ( 0.443 1.180 1.786) 2.185 16.097 ( -0.392 1.676 1.587) 2.341 16.131 ( 1.512 -0.918 1.923) 2.613 16.158 ( -1.298 -1.318 1.692) 2.507 22.533 ( 2.712 2.263 3.285) 4.823 22.598 ( -3.969 3.065 4.525) 6.755 22.801 ( 4.391 -10.321 0.930) 11.255 22.871 ( -2.868 -10.060 2.883) 10.850 24.219 ( 9.185 11.032 -15.446) 21.087 24.355 ( -1.619 9.073 -14.178) 16.910 24.406 ( 1.115 4.266 -11.628) 12.436 24.537 ( -8.928 3.090 -14.178) 17.037 25.510 ( 2.622 7.391 17.911) 19.553 25.565 ( -3.093 10.070 17.655) 20.559 25.936 ( 9.385 -13.294 20.215) 25.951 26.108 ( -9.035 -17.332 20.444) 28.284 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 0.000 -9.299 7.658) 12.047 2.302 ( 0.000 9.299 7.658) 12.047 2.336 ( 0.000 -8.077 8.227) 11.529 2.336 ( 0.000 8.077 8.227) 11.529 2.452 ( 0.000 -6.003 5.570) 8.189 2.452 ( 0.000 6.003 5.570) 8.189 3.074 ( 0.000 -12.985 1.095) 13.031 3.074 ( 0.000 12.985 1.095) 13.031 3.321 ( 0.000 -17.741 5.845) 18.679 3.321 ( 0.000 17.741 5.845) 18.679 3.653 ( 0.000 -2.523 -18.633) 18.803 3.653 ( 0.000 2.523 -18.633) 18.803 3.793 ( 0.000 -6.551 -7.373) 9.863 3.793 ( 0.000 6.551 -7.373) 9.863 4.122 ( 0.000 -22.455 20.306) 30.274 4.122 ( 0.000 22.455 20.306) 30.274 4.383 ( 0.000 -1.284 -7.344) 7.456 4.383 ( 0.000 1.284 -7.344) 7.456 4.757 ( 0.000 -7.269 -10.986) 13.173 4.757 ( 0.000 7.269 -10.986) 13.173 4.932 ( 0.000 -3.283 -1.643) 3.671 4.932 ( 0.000 3.283 -1.643) 3.671 5.122 ( 0.000 -4.722 -11.687) 12.605 5.122 ( 0.000 4.722 -11.687) 12.605 5.281 ( 0.000 -5.062 8.338) 9.754 5.281 ( 0.000 5.062 8.338) 9.754 5.496 ( 0.000 -4.056 4.967) 6.413 5.496 ( 0.000 4.056 4.967) 6.413 5.670 ( 0.000 -2.671 1.671) 3.150 5.670 ( 0.000 2.671 1.671) 3.150 5.723 ( 0.000 -3.067 -0.518) 3.110 5.723 ( 0.000 3.067 -0.518) 3.110 5.959 ( 0.000 -0.616 -3.350) 3.406 5.959 ( 0.000 0.616 -3.350) 3.406 6.266 ( 0.000 -2.950 2.839) 4.094 6.266 ( 0.000 2.950 2.839) 4.094 6.388 ( 0.000 -1.804 -2.735) 3.276 6.388 ( 0.000 1.804 -2.735) 3.276 6.580 ( 0.000 -3.944 -5.806) 7.019 6.580 ( 0.000 3.944 -5.806) 7.019 6.750 ( 0.000 -3.881 1.096) 4.033 6.750 ( 0.000 3.881 1.096) 4.033 7.247 ( 0.000 -3.443 2.568) 4.295 7.247 ( 0.000 3.443 2.568) 4.295 7.700 ( 0.000 -6.997 -2.783) 7.530 7.700 ( 0.000 6.997 -2.783) 7.530 7.811 ( 0.000 -1.826 -3.258) 3.735 7.811 ( 0.000 1.826 -3.258) 3.735 8.522 ( 0.000 -4.635 6.969) 8.370 8.522 ( 0.000 4.635 6.969) 8.370 8.545 ( 0.000 -5.681 5.972) 8.242 8.545 ( 0.000 5.681 5.972) 8.242 9.177 ( 0.000 -2.823 5.017) 5.756 9.177 ( 0.000 2.823 5.017) 5.756 9.457 ( 0.000 -2.079 6.274) 6.609 9.457 ( 0.000 2.079 6.274) 6.609 10.846 ( 0.000 -0.000 -3.471) 3.471 10.846 ( 0.000 0.000 -3.471) 3.471 11.113 ( 0.000 -3.087 -1.511) 3.437 11.113 ( 0.000 3.087 -1.511) 3.437 11.327 ( 0.000 -0.039 -3.038) 3.038 11.327 ( 0.000 0.039 -3.038) 3.038 11.352 ( 0.000 -0.016 -6.749) 6.749 11.352 ( 0.000 0.016 -6.749) 6.749 11.951 ( 0.000 -0.123 -6.721) 6.722 11.951 ( 0.000 0.123 -6.721) 6.722 12.015 ( 0.000 -1.386 -6.822) 6.962 12.015 ( 0.000 1.386 -6.822) 6.962 16.088 ( 0.000 -0.161 2.172) 2.178 16.088 ( 0.000 0.161 2.172) 2.178 16.146 ( 0.000 -2.115 1.374) 2.522 16.146 ( 0.000 2.115 1.374) 2.522 22.530 ( 0.000 -3.334 0.230) 3.341 22.530 ( 0.000 3.334 0.230) 3.341 22.796 ( 0.000 -3.260 5.243) 6.174 22.796 ( 0.000 3.260 5.243) 6.174 24.197 ( 0.000 -6.682 -13.192) 14.788 24.197 ( 0.000 6.682 -13.192) 14.788 24.716 ( 0.000 -6.205 -14.938) 16.175 24.716 ( 0.000 6.205 -14.938) 16.175 25.553 ( 0.000 -5.892 20.057) 20.904 25.553 ( 0.000 5.892 20.057) 20.904 25.923 ( 0.000 -17.182 19.033) 25.642 25.923 ( 0.000 17.182 19.033) 25.642 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -1.048 -16.843 12.364) 20.920 2.295 ( -1.048 16.843 12.364) 20.920 2.360 ( 1.735 -11.162 4.926) 12.323 2.360 ( 1.735 11.162 4.926) 12.323 2.449 ( 1.321 -9.292 4.814) 10.548 2.449 ( 1.321 9.292 4.814) 10.548 2.978 ( -9.319 -14.006 1.961) 16.937 2.978 ( -9.319 14.006 1.961) 16.937 3.362 ( 3.616 -15.949 1.789) 16.451 3.362 ( 3.616 15.949 1.789) 16.451 3.576 ( -4.676 -4.348 -15.162) 16.452 3.576 ( -4.676 4.348 -15.162) 16.452 3.926 ( 9.855 -6.624 -6.334) 13.458 3.926 ( 9.855 6.624 -6.334) 13.458 4.153 ( 2.752 -18.891 16.716) 25.375 4.153 ( 2.752 18.891 16.716) 25.375 4.382 ( 0.416 -4.272 -7.058) 8.261 4.382 ( 0.416 4.272 -7.058) 8.261 4.699 ( -5.569 -7.875 -9.983) 13.881 4.699 ( -5.569 7.875 -9.983) 13.881 4.936 ( 0.724 -3.000 -0.815) 3.192 4.936 ( 0.724 3.000 -0.815) 3.192 5.120 ( -1.420 -4.107 -8.458) 9.509 5.120 ( -1.420 4.107 -8.458) 9.509 5.320 ( 4.464 -5.940 6.832) 10.094 5.320 ( 4.464 5.940 6.832) 10.094 5.499 ( 1.373 -4.808 2.518) 5.598 5.499 ( 1.373 4.808 2.518) 5.598 5.648 ( -4.021 -2.626 0.037) 4.803 5.648 ( -4.021 2.626 0.037) 4.803 5.753 ( 3.599 -3.003 1.149) 4.826 5.753 ( 3.599 3.003 1.149) 4.826 5.918 ( -3.470 -2.832 -3.247) 5.533 5.918 ( -3.470 2.832 -3.247) 5.533 6.215 ( -4.977 -3.345 2.200) 6.388 6.215 ( -4.977 3.345 2.200) 6.388 6.424 ( 2.780 -1.183 -0.996) 3.181 6.424 ( 2.780 1.183 -0.996) 3.181 6.577 ( -0.670 -4.645 -2.094) 5.139 6.577 ( -0.670 4.645 -2.094) 5.139 6.779 ( 3.982 -2.721 -2.152) 5.282 6.779 ( 3.982 2.721 -2.152) 5.282 7.199 ( -5.260 -3.729 0.843) 6.503 7.199 ( -5.260 3.729 0.843) 6.503 7.714 ( 2.064 -6.197 -3.050) 7.209 7.714 ( 2.064 6.197 -3.050) 7.209 7.829 ( 1.006 -3.284 -3.507) 4.909 7.829 ( 1.006 3.284 -3.507) 4.909 8.525 ( 0.338 -4.862 6.988) 8.520 8.525 ( 0.338 4.862 6.988) 8.520 8.544 ( -0.133 -5.476 6.550) 8.539 8.544 ( -0.133 5.476 6.550) 8.539 9.209 ( 3.322 -2.710 5.107) 6.668 9.209 ( 3.322 2.710 5.107) 6.668 9.436 ( -2.264 -2.125 6.087) 6.834 9.436 ( -2.264 2.125 6.087) 6.834 10.867 ( 2.259 -0.971 -3.122) 3.974 10.867 ( 2.259 0.971 -3.122) 3.974 11.084 ( -3.094 -2.899 -1.404) 4.467 11.084 ( -3.094 2.899 -1.404) 4.467 11.325 ( -0.091 -2.241 -3.529) 4.182 11.325 ( -0.091 2.241 -3.529) 4.182 11.348 ( -0.430 -1.841 -6.240) 6.521 11.348 ( -0.430 1.841 -6.240) 6.521 11.957 ( 0.626 -0.436 -6.832) 6.874 11.957 ( 0.626 0.436 -6.832) 6.874 12.009 ( -0.681 -1.354 -6.911) 7.075 12.009 ( -0.681 1.354 -6.911) 7.075 16.095 ( 0.719 -0.585 2.074) 2.272 16.095 ( 0.719 0.585 2.074) 2.272 16.142 ( -0.485 -1.982 1.434) 2.494 16.142 ( -0.485 1.982 1.434) 2.494 22.556 ( 2.766 -4.854 0.856) 5.652 22.556 ( 2.766 4.854 0.856) 5.652 22.771 ( -2.670 -4.905 4.904) 7.432 22.771 ( -2.670 4.905 4.904) 7.432 24.244 ( 4.976 -5.850 -13.303) 15.361 24.244 ( 4.976 5.850 -13.303) 15.361 24.660 ( -5.816 -5.582 -14.436) 16.534 24.660 ( -5.816 5.582 -14.436) 16.534 25.595 ( 4.236 -7.972 19.542) 21.527 25.595 ( 4.236 7.972 19.542) 21.527 25.890 ( -3.505 -16.333 18.986) 25.289 25.890 ( -3.505 16.333 18.986) 25.289 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 1.079 -13.193 12.029) 17.886 2.290 ( 1.079 13.193 12.029) 17.886 2.333 ( -3.114 -7.677 10.195) 13.137 2.333 ( -3.114 7.677 10.195) 13.137 2.566 ( 10.090 -18.818 0.996) 21.375 2.566 ( 10.090 18.818 0.996) 21.375 2.775 ( -12.035 -17.319 1.085) 21.118 2.775 ( -12.035 17.319 1.085) 21.118 3.433 ( 3.917 -13.826 -4.052) 14.931 3.433 ( 3.917 13.826 -4.052) 14.931 3.502 ( -3.705 -10.067 -9.740) 14.489 3.502 ( -3.705 10.067 -9.740) 14.489 4.089 ( 7.225 -7.046 -1.334) 10.180 4.089 ( 7.225 7.046 -1.334) 10.180 4.173 ( -1.713 -10.184 6.477) 12.190 4.173 ( -1.713 10.184 6.477) 12.190 4.435 ( 5.955 -9.191 -4.803) 11.958 4.435 ( 5.955 9.191 -4.803) 11.958 4.572 ( -7.946 -9.327 -6.621) 13.927 4.572 ( -7.946 9.327 -6.621) 13.927 4.974 ( 3.616 -3.384 -1.031) 5.058 4.974 ( 3.616 3.384 -1.031) 5.058 5.057 ( -4.819 -3.122 -3.105) 6.527 5.057 ( -4.819 3.122 -3.105) 6.527 5.424 ( 6.188 -5.946 4.078) 9.501 5.424 ( 6.188 5.946 4.078) 9.501 5.527 ( -3.597 -3.674 3.037) 5.971 5.527 ( -3.597 3.674 3.037) 5.971 5.596 ( 4.242 -4.485 -3.148) 6.930 5.596 ( 4.242 4.485 -3.148) 6.930 5.725 ( -6.956 -5.239 -1.552) 8.846 5.725 ( -6.956 5.239 -1.552) 8.846 5.945 ( 6.814 -2.366 -0.130) 7.214 5.945 ( 6.814 2.366 -0.130) 7.214 6.091 ( -8.132 -2.999 1.012) 8.727 6.091 ( -8.132 2.999 1.012) 8.727 6.482 ( 3.513 -2.894 1.408) 4.765 6.482 ( 3.513 2.894 1.408) 4.765 6.543 ( -2.885 -2.996 1.809) 4.535 6.543 ( -2.885 2.996 1.809) 4.535 6.901 ( 8.681 -3.689 -4.556) 10.475 6.901 ( 8.681 3.689 -4.556) 10.475 7.066 ( -8.749 -3.958 -2.464) 9.913 7.066 ( -8.749 3.958 -2.464) 9.913 7.771 ( 3.573 -5.166 -3.607) 7.243 7.771 ( 3.573 5.166 -3.607) 7.243 7.824 ( -1.763 -4.165 -3.885) 5.962 7.824 ( -1.763 4.165 -3.885) 5.962 8.533 ( 0.475 -4.841 7.210) 8.698 8.533 ( 0.475 4.841 7.210) 8.698 8.540 ( -0.288 -4.962 7.237) 8.779 8.540 ( -0.288 4.962 7.237) 8.779 9.288 ( 4.941 -2.341 5.351) 7.650 9.288 ( 4.941 2.341 5.351) 7.650 9.376 ( -4.294 -2.125 5.700) 7.446 9.376 ( -4.294 2.125 5.700) 7.446 10.926 ( 4.135 -1.813 -2.300) 5.067 10.926 ( 4.135 1.813 -2.300) 5.067 11.010 ( -4.696 -2.463 -1.572) 5.531 11.010 ( -4.696 2.463 -1.572) 5.531 11.327 ( 0.385 -2.913 -4.378) 5.273 11.327 ( 0.385 2.913 -4.378) 5.273 11.338 ( -0.653 -2.678 -5.296) 5.970 11.338 ( -0.653 2.678 -5.296) 5.970 11.973 ( 1.016 -0.843 -7.013) 7.136 11.973 ( 1.016 0.843 -7.013) 7.136 11.992 ( -1.050 -1.181 -7.043) 7.218 11.992 ( -1.050 1.181 -7.043) 7.218 16.111 ( 1.024 -1.124 1.845) 2.391 16.111 ( 1.024 1.124 1.845) 2.391 16.129 ( -0.882 -1.621 1.604) 2.445 16.129 ( -0.882 1.621 1.604) 2.445 22.623 ( 4.354 -6.628 2.341) 8.268 22.623 ( 4.354 6.628 2.341) 8.268 22.705 ( -4.289 -6.680 3.882) 8.837 22.705 ( -4.289 6.680 3.882) 8.837 24.367 ( 8.092 -4.393 -13.526) 16.362 24.367 ( 8.092 4.393 -13.526) 16.362 24.523 ( -8.520 -4.384 -13.824) 16.820 24.523 ( -8.520 4.384 -13.824) 16.820 25.692 ( 6.074 -11.249 18.973) 22.878 25.692 ( 6.074 11.249 18.973) 22.878 25.803 ( -5.718 -14.152 18.890) 24.286 25.803 ( -5.718 14.152 18.890) 24.286 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 0.000 0.000 -0.321) 0.321 1.854 ( 0.000 0.000 23.273) 23.273 1.936 ( 0.000 0.000 26.773) 26.773 2.150 ( 0.000 0.000 -1.605) 1.605 2.442 ( 0.000 0.000 -9.906) 9.906 2.607 ( 0.000 0.000 5.051) 5.051 2.944 ( 0.000 0.000 -12.997) 12.997 3.053 ( 0.000 0.000 -10.821) 10.821 3.063 ( 0.000 0.000 4.343) 4.343 3.213 ( 0.000 0.000 -13.430) 13.430 3.266 ( 0.000 0.000 41.150) 41.150 3.298 ( 0.000 0.000 -6.814) 6.814 3.404 ( 0.000 0.000 -15.317) 15.317 3.899 ( 0.000 0.000 -7.959) 7.959 4.088 ( 0.000 0.000 -12.270) 12.270 4.097 ( 0.000 0.000 -5.106) 5.106 4.295 ( 0.000 0.000 -7.550) 7.550 4.357 ( 0.000 0.000 -1.974) 1.974 4.439 ( 0.000 0.000 3.284) 3.284 4.676 ( 0.000 0.000 18.583) 18.583 4.844 ( 0.000 0.000 18.718) 18.718 4.845 ( 0.000 0.000 4.468) 4.468 4.865 ( 0.000 0.000 -1.539) 1.539 5.170 ( 0.000 0.000 -5.596) 5.596 5.253 ( 0.000 0.000 -3.542) 3.542 5.446 ( 0.000 0.000 6.674) 6.674 5.456 ( 0.000 0.000 -4.621) 4.621 5.642 ( 0.000 0.000 -3.343) 3.343 5.690 ( 0.000 0.000 -3.249) 3.249 5.798 ( 0.000 0.000 -2.662) 2.662 5.824 ( 0.000 0.000 -11.527) 11.527 5.835 ( 0.000 0.000 -4.513) 4.513 6.043 ( 0.000 0.000 4.348) 4.348 6.099 ( 0.000 0.000 7.234) 7.234 6.107 ( 0.000 0.000 0.211) 0.211 6.135 ( 0.000 0.000 -3.690) 3.690 6.344 ( 0.000 0.000 -1.183) 1.183 6.390 ( 0.000 0.000 -3.660) 3.660 6.574 ( 0.000 0.000 -3.552) 3.552 6.581 ( 0.000 0.000 -8.741) 8.741 6.802 ( 0.000 0.000 -8.333) 8.333 6.856 ( 0.000 0.000 -0.811) 0.811 7.272 ( 0.000 0.000 -2.466) 2.466 7.302 ( 0.000 0.000 3.389) 3.389 7.360 ( 0.000 0.000 0.908) 0.908 7.595 ( 0.000 0.000 -5.594) 5.594 7.975 ( 0.000 0.000 3.518) 3.518 8.348 ( 0.000 0.000 -3.430) 3.430 8.572 ( 0.000 0.000 11.596) 11.596 8.607 ( 0.000 0.000 11.102) 11.102 8.861 ( 0.000 0.000 9.292) 9.292 8.981 ( 0.000 0.000 5.825) 5.825 9.037 ( 0.000 0.000 0.404) 0.404 9.037 ( 0.000 0.000 1.946) 1.946 9.612 ( 0.000 0.000 -0.578) 0.578 9.723 ( 0.000 0.000 -8.851) 8.851 10.717 ( 0.000 0.000 -1.267) 1.267 10.731 ( 0.000 0.000 -1.177) 1.177 10.779 ( 0.000 0.000 0.049) 0.049 10.968 ( 0.000 0.000 -5.455) 5.455 11.211 ( 0.000 0.000 1.527) 1.527 11.379 ( 0.000 0.000 -3.730) 3.730 11.405 ( 0.000 0.000 -0.773) 0.773 11.454 ( 0.000 0.000 -1.469) 1.469 11.681 ( 0.000 0.000 -7.955) 7.955 11.716 ( 0.000 0.000 -7.814) 7.814 12.067 ( 0.000 0.000 -1.791) 1.791 12.285 ( 0.000 0.000 -1.609) 1.609 16.076 ( 0.000 0.000 1.792) 1.792 16.104 ( 0.000 0.000 1.058) 1.058 16.150 ( 0.000 0.000 2.845) 2.845 16.259 ( 0.000 0.000 0.797) 0.797 22.788 ( 0.000 0.000 -0.375) 0.375 22.788 ( 0.000 0.000 -0.326) 0.326 22.917 ( 0.000 0.000 4.473) 4.473 23.062 ( 0.000 0.000 3.259) 3.259 23.412 ( 0.000 0.000 -6.188) 6.188 23.461 ( 0.000 0.000 3.862) 3.862 24.024 ( 0.000 0.000 -8.399) 8.399 24.037 ( 0.000 0.000 -18.464) 18.464 25.627 ( 0.000 0.000 14.163) 14.163 25.774 ( 0.000 0.000 11.427) 11.427 26.518 ( 0.000 0.000 23.410) 23.410 27.526 ( 0.000 0.000 -3.038) 3.038 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 4.295 0.000 0.861) 4.380 1.855 ( 0.795 0.000 22.962) 22.976 1.965 ( 2.445 0.000 22.798) 22.929 2.123 ( -3.621 0.000 3.906) 5.326 2.440 ( 0.114 0.000 -7.524) 7.525 2.609 ( 1.337 0.000 -0.319) 1.375 2.815 ( -11.820 0.000 8.746) 14.704 2.997 ( 1.259 0.000 -20.856) 20.894 3.051 ( -12.061 0.000 -17.883) 21.570 3.125 ( -0.241 0.000 -16.887) 16.889 3.377 ( 12.033 0.000 39.782) 41.562 3.423 ( 11.172 0.000 1.816) 11.318 3.568 ( 11.671 0.000 -10.423) 15.648 3.880 ( -2.366 0.000 -6.724) 7.128 4.023 ( -1.556 0.000 -10.440) 10.555 4.255 ( 8.371 0.000 -2.573) 8.757 4.288 ( -0.579 0.000 -6.235) 6.262 4.344 ( -0.509 0.000 -4.177) 4.207 4.403 ( -3.604 0.000 2.316) 4.284 4.471 ( -16.034 0.000 20.184) 25.778 4.819 ( -4.752 0.000 7.394) 8.789 4.841 ( -0.348 0.000 4.078) 4.093 4.856 ( -0.848 0.000 -1.085) 1.377 5.065 ( -7.223 0.000 1.999) 7.495 5.355 ( 5.191 0.000 -4.007) 6.558 5.467 ( 1.250 0.000 -6.359) 6.481 5.526 ( 5.710 0.000 0.338) 5.720 5.615 ( -2.681 0.000 -6.190) 6.746 5.632 ( -1.501 0.000 0.869) 1.734 5.843 ( 2.052 0.000 -7.440) 7.717 5.861 ( 2.064 0.000 -3.260) 3.859 5.863 ( 6.465 0.000 -0.074) 6.465 6.008 ( -2.249 0.000 4.832) 5.330 6.104 ( 0.801 0.000 5.614) 5.671 6.130 ( 1.955 0.000 -0.529) 2.025 6.249 ( 6.295 0.000 -2.234) 6.680 6.329 ( -1.432 0.000 -0.580) 1.545 6.372 ( -1.866 0.000 -3.226) 3.727 6.518 ( -5.990 0.000 -4.507) 7.496 6.592 ( -0.110 0.000 -5.601) 5.602 6.656 ( -2.447 0.000 -2.607) 3.575 7.046 ( 10.158 0.000 -9.570) 13.956 7.207 ( -6.645 0.000 -1.968) 6.930 7.308 ( 0.640 0.000 3.086) 3.151 7.355 ( -0.535 0.000 1.093) 1.217 7.509 ( -7.386 0.000 -8.634) 11.362 8.045 ( 6.480 0.000 4.139) 7.689 8.345 ( -1.036 0.000 -1.707) 1.997 8.576 ( 0.367 0.000 11.506) 11.512 8.604 ( -0.303 0.000 11.127) 11.131 8.882 ( 2.168 0.000 8.187) 8.469 8.982 ( -0.051 0.000 5.652) 5.652 9.035 ( -0.106 0.000 1.077) 1.082 9.037 ( -0.063 0.000 1.269) 1.271 9.616 ( 0.639 0.000 -1.239) 1.395 9.715 ( -0.936 0.000 -7.880) 7.936 10.719 ( 0.166 0.000 -1.236) 1.247 10.730 ( -0.093 0.000 -1.165) 1.169 10.794 ( 1.677 0.000 -0.203) 1.689 10.951 ( -1.817 0.000 -4.737) 5.073 11.216 ( 0.716 0.000 0.865) 1.123 11.358 ( -2.263 0.000 -3.537) 4.199 11.410 ( 0.510 0.000 -0.852) 0.993 11.450 ( -0.482 0.000 -1.414) 1.494 11.697 ( 1.516 0.000 -7.949) 8.093 11.725 ( 0.891 0.000 -7.754) 7.805 12.063 ( -0.168 0.000 -1.309) 1.320 12.235 ( -4.922 0.000 -0.453) 4.943 16.076 ( -0.009 0.000 1.766) 1.766 16.096 ( -0.632 0.000 1.462) 1.593 16.166 ( 1.483 0.000 2.278) 2.719 16.251 ( -0.861 0.000 0.893) 1.241 22.748 ( 1.448 0.000 0.999) 1.759 22.941 ( 2.662 0.000 4.192) 4.966 22.966 ( 6.966 0.000 -2.816) 7.514 23.061 ( 5.622 0.000 0.763) 5.673 23.269 ( -8.531 0.000 0.010) 8.531 23.610 ( 9.192 0.000 -2.485) 9.522 23.951 ( -9.336 0.000 -17.921) 20.207 23.993 ( -3.354 0.000 -7.962) 8.640 25.629 ( 0.202 0.000 14.168) 14.170 25.735 ( -3.491 0.000 12.575) 13.050 26.621 ( 10.450 0.000 21.098) 23.544 27.418 ( -11.085 0.000 0.943) 11.125 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 4.775 0.000 20.619) 21.165 1.914 ( 5.557 0.000 3.905) 6.791 1.984 ( -1.318 0.000 12.130) 12.201 2.018 ( -6.973 0.000 14.302) 15.911 2.474 ( 4.425 0.000 1.409) 4.644 2.609 ( -9.948 0.000 9.257) 13.589 2.682 ( 6.635 0.000 -10.978) 12.827 2.841 ( -10.448 0.000 -16.584) 19.600 3.039 ( 2.907 0.000 -21.650) 21.844 3.093 ( -2.709 0.000 -20.804) 20.980 3.632 ( 10.891 0.000 1.364) 10.977 3.658 ( 17.202 0.000 31.815) 36.168 3.768 ( 8.867 0.000 -4.095) 9.767 3.798 ( -6.871 0.000 -2.828) 7.431 3.968 ( -5.152 0.000 -3.116) 6.021 4.086 ( -18.783 0.000 21.931) 28.875 4.288 ( 1.040 0.000 -3.495) 3.647 4.331 ( -3.554 0.000 -0.551) 3.597 4.359 ( 6.007 0.000 -4.172) 7.313 4.448 ( 0.329 0.000 -11.027) 11.032 4.758 ( 2.413 0.000 3.737) 4.449 4.836 ( -0.069 0.000 2.559) 2.560 4.841 ( -0.616 0.000 0.372) 0.719 4.904 ( -10.109 0.000 3.761) 10.786 5.431 ( 3.712 0.000 -3.372) 5.014 5.499 ( -3.869 0.000 -4.898) 6.242 5.503 ( 2.591 0.000 -8.619) 9.000 5.558 ( -3.288 0.000 -8.808) 9.402 5.775 ( 10.839 0.000 5.371) 12.096 5.880 ( 1.515 0.000 -2.554) 2.969 5.889 ( 0.613 0.000 -1.594) 1.708 5.930 ( -5.101 0.000 6.015) 7.887 6.022 ( 8.493 0.000 2.041) 8.735 6.133 ( 2.188 0.000 2.241) 3.133 6.158 ( 0.299 0.000 -1.567) 1.595 6.199 ( -9.617 0.000 0.543) 9.632 6.307 ( -0.319 0.000 0.092) 0.332 6.330 ( -2.345 0.000 -1.879) 3.005 6.487 ( 2.511 0.000 -2.909) 3.843 6.545 ( -3.366 0.000 -3.308) 4.719 6.768 ( 11.351 0.000 -3.305) 11.823 6.998 ( -12.384 0.000 -2.302) 12.596 7.240 ( 8.052 0.000 -13.062) 15.344 7.323 ( 0.983 0.000 2.371) 2.567 7.341 ( -0.918 0.000 1.619) 1.861 7.376 ( -7.057 0.000 -13.476) 15.211 8.176 ( 7.262 0.000 4.040) 8.310 8.291 ( -4.902 0.000 1.773) 5.212 8.585 ( 0.601 0.000 11.329) 11.345 8.596 ( -0.563 0.000 11.196) 11.210 8.931 ( 2.807 0.000 6.278) 6.877 8.971 ( -1.386 0.000 5.519) 5.691 9.034 ( 0.005 0.000 1.141) 1.141 9.035 ( -0.108 0.000 1.201) 1.206 9.641 ( 2.097 0.000 -2.978) 3.642 9.685 ( -2.322 0.000 -5.514) 5.983 10.723 ( 0.249 0.000 -1.179) 1.205 10.727 ( -0.204 0.000 -1.153) 1.170 10.840 ( 3.182 0.000 -1.135) 3.379 10.902 ( -3.362 0.000 -2.868) 4.419 11.246 ( 2.597 0.000 -0.982) 2.776 11.303 ( -3.394 0.000 -2.698) 4.336 11.422 ( 0.814 0.000 -1.047) 1.326 11.438 ( -0.796 0.000 -1.261) 1.491 11.727 ( 1.428 0.000 -7.996) 8.123 11.738 ( 0.233 0.000 -7.851) 7.854 12.074 ( 1.754 0.000 0.018) 1.755 12.137 ( -4.970 0.000 0.762) 5.028 16.078 ( 0.264 0.000 1.732) 1.752 16.085 ( -0.547 0.000 1.692) 1.778 16.197 ( 1.817 0.000 1.640) 2.448 16.229 ( -1.535 0.000 1.179) 1.935 22.815 ( 5.318 0.000 1.358) 5.488 22.920 ( -5.590 0.000 1.594) 5.813 23.012 ( 5.107 0.000 3.362) 6.115 23.125 ( -7.135 0.000 2.002) 7.411 23.361 ( 19.905 0.000 -10.732) 22.614 23.707 ( -16.897 0.000 -15.706) 23.069 23.771 ( 8.220 0.000 -4.873) 9.556 23.904 ( -6.212 0.000 -6.728) 9.157 25.639 ( 1.116 0.000 14.133) 14.177 25.674 ( -2.768 0.000 13.775) 14.051 26.865 ( 15.459 0.000 16.077) 22.304 27.160 ( -16.100 0.000 8.990) 18.440 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 8.350 17.094) 19.024 1.944 ( 0.000 11.708 4.600) 12.579 1.973 ( 0.000 3.831 25.680) 25.964 2.173 ( 0.000 3.125 1.266) 3.372 2.560 ( 0.000 10.445 -10.597) 14.879 2.657 ( 0.000 5.245 5.030) 7.267 2.956 ( 0.000 0.647 -5.714) 5.751 3.066 ( 0.000 1.583 -14.114) 14.203 3.081 ( 0.000 1.868 -1.562) 2.435 3.206 ( 0.000 -1.342 -13.510) 13.577 3.352 ( 0.000 -5.681 -11.325) 12.670 3.365 ( 0.000 7.546 1.852) 7.770 3.402 ( 0.000 12.914 35.208) 37.502 3.877 ( 0.000 -2.329 -9.977) 10.246 4.064 ( 0.000 -2.247 -9.281) 9.549 4.072 ( 0.000 1.771 -6.013) 6.268 4.275 ( 0.000 -6.931 -4.178) 8.093 4.383 ( 0.000 4.353 -1.811) 4.715 4.443 ( 0.000 -0.908 5.751) 5.822 4.689 ( 0.000 1.829 12.551) 12.683 4.800 ( 0.000 -1.354 0.104) 1.357 4.849 ( 0.000 0.130 3.090) 3.093 4.925 ( 0.000 3.097 7.961) 8.542 5.134 ( 0.000 -2.785 -6.041) 6.652 5.279 ( 0.000 2.650 -2.735) 3.808 5.434 ( 0.000 -1.091 6.263) 6.357 5.473 ( 0.000 1.410 -3.056) 3.366 5.641 ( 0.000 0.005 -2.884) 2.884 5.707 ( 0.000 1.818 -4.019) 4.411 5.761 ( 0.000 -2.467 -1.655) 2.970 5.820 ( 0.000 -0.485 -9.728) 9.740 5.890 ( 0.000 2.045 -1.224) 2.383 6.007 ( 0.000 -4.501 4.020) 6.035 6.095 ( 0.000 0.019 4.258) 4.258 6.098 ( 0.000 0.348 -0.026) 0.349 6.155 ( 0.000 2.168 -3.318) 3.964 6.300 ( 0.000 -4.050 -1.668) 4.380 6.312 ( 0.000 -3.452 -3.221) 4.721 6.568 ( 0.000 -0.997 -3.030) 3.190 6.618 ( 0.000 -2.479 -4.763) 5.370 6.783 ( 0.000 -2.032 -8.257) 8.504 6.829 ( 0.000 0.996 -2.867) 3.035 7.261 ( 0.000 -0.935 -1.803) 2.031 7.323 ( 0.000 2.032 2.418) 3.158 7.454 ( 0.000 8.061 -1.297) 8.165 7.596 ( 0.000 -0.325 -5.266) 5.276 7.939 ( 0.000 -3.368 3.391) 4.779 8.216 ( 0.000 -10.739 2.035) 10.930 8.583 ( 0.000 0.919 10.644) 10.684 8.645 ( 0.000 1.176 7.482) 7.573 8.871 ( 0.000 0.519 8.785) 8.801 8.927 ( 0.000 -4.444 3.651) 5.752 9.048 ( 0.000 1.404 2.402) 2.782 9.092 ( 0.000 4.724 2.326) 5.266 9.605 ( 0.000 -0.730 0.245) 0.770 9.721 ( 0.000 -0.398 -7.261) 7.272 10.720 ( 0.000 0.380 -1.412) 1.463 10.726 ( 0.000 -0.206 -1.125) 1.144 10.810 ( 0.000 2.995 -0.287) 3.009 10.979 ( 0.000 1.124 -5.396) 5.512 11.212 ( 0.000 0.072 1.048) 1.051 11.360 ( 0.000 -1.901 -3.294) 3.803 11.392 ( 0.000 -1.332 -1.433) 1.956 11.429 ( 0.000 -2.413 -2.446) 3.435 11.699 ( 0.000 1.628 -7.337) 7.516 11.728 ( 0.000 1.251 -7.498) 7.602 12.047 ( 0.000 -2.038 -2.345) 3.107 12.216 ( 0.000 -6.402 -0.972) 6.476 16.081 ( 0.000 0.567 1.691) 1.784 16.106 ( 0.000 0.181 1.106) 1.120 16.149 ( 0.000 -0.117 2.764) 2.766 16.253 ( 0.000 -0.635 0.784) 1.009 22.733 ( 0.000 -3.613 -0.764) 3.693 22.734 ( 0.000 -5.418 -0.895) 5.492 22.963 ( 0.000 -5.799 5.639) 8.089 23.099 ( 0.000 15.441 1.261) 15.493 23.369 ( 0.000 -7.929 3.380) 8.619 23.610 ( 0.000 15.842 -8.243) 17.858 24.049 ( 0.000 2.433 -8.591) 8.929 24.127 ( 0.000 7.909 -17.438) 19.148 25.662 ( 0.000 3.703 14.309) 14.780 25.776 ( 0.000 0.307 12.140) 12.144 26.465 ( 0.000 -5.365 22.992) 23.610 27.381 ( 0.000 -14.323 0.402) 14.329 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 0.352 4.942 20.992) 21.569 1.952 ( 1.350 11.470 0.863) 11.581 2.028 ( 4.609 5.981 22.923) 24.135 2.160 ( -1.826 4.521 4.672) 6.753 2.536 ( -1.426 8.550 -6.398) 10.773 2.669 ( 1.272 6.451 -0.758) 6.619 2.844 ( -9.969 2.465 8.450) 13.299 3.010 ( -4.037 0.544 -19.109) 19.538 3.076 ( -6.303 2.329 -15.450) 16.848 3.123 ( -0.055 0.034 -15.452) 15.453 3.451 ( 9.222 0.039 -5.053) 10.516 3.491 ( 10.794 10.520 32.289) 35.634 3.525 ( 10.331 -0.164 3.444) 10.892 3.854 ( -2.098 -1.224 -10.025) 10.315 4.076 ( -1.672 1.020 -3.513) 4.022 4.143 ( 6.616 -3.939 -6.818) 10.285 4.229 ( -1.834 -4.556 -7.597) 9.046 4.383 ( -0.372 0.393 1.008) 1.145 4.393 ( -9.316 -0.487 14.684) 17.397 4.568 ( -4.508 6.983 0.770) 8.347 4.820 ( -0.270 0.220 1.397) 1.440 4.847 ( -0.478 0.018 2.298) 2.347 4.880 ( -4.637 2.992 3.155) 6.357 5.057 ( -5.636 -0.700 -0.935) 5.756 5.356 ( 4.310 0.504 -2.507) 5.012 5.442 ( 0.208 -1.598 -2.897) 3.315 5.555 ( 7.977 1.475 0.632) 8.137 5.592 ( -4.985 -0.601 -5.596) 7.518 5.659 ( -1.537 1.583 -0.192) 2.215 5.776 ( 2.505 -4.240 -5.404) 7.312 5.857 ( 2.486 -0.252 -4.037) 4.748 5.921 ( 2.949 0.618 0.717) 3.098 5.997 ( -0.636 -0.566 4.052) 4.141 6.088 ( 0.674 -1.416 3.566) 3.896 6.119 ( 1.844 0.013 -0.499) 1.910 6.253 ( 3.263 0.119 -2.967) 4.412 6.292 ( 0.212 -3.335 0.487) 3.377 6.299 ( -1.458 -3.862 -3.132) 5.182 6.504 ( -4.495 -1.367 -2.817) 5.478 6.630 ( 3.211 0.107 -5.644) 6.495 6.699 ( -4.079 4.570 -1.426) 6.290 6.956 ( 7.083 -6.508 -9.473) 13.500 7.194 ( -6.430 -1.253 -1.717) 6.772 7.317 ( -1.258 0.983 1.870) 2.459 7.456 ( -0.472 7.898 -0.049) 7.912 7.517 ( -5.490 0.479 -8.827) 10.406 8.008 ( 6.030 -3.473 3.946) 8.000 8.224 ( 0.219 -10.034 2.394) 10.318 8.589 ( 0.691 1.078 10.511) 10.589 8.641 ( -0.529 1.406 7.879) 8.021 8.881 ( 1.066 -0.393 7.870) 7.952 8.928 ( -0.027 -4.340 3.831) 5.789 9.054 ( 0.700 2.143 2.201) 3.150 9.094 ( 0.064 4.763 2.359) 5.316 9.610 ( 0.651 -0.750 -0.235) 1.020 9.712 ( -1.106 -0.563 -6.345) 6.465 10.717 ( 0.135 -0.002 -1.186) 1.194 10.735 ( 0.441 0.769 -1.336) 1.603 10.822 ( 1.452 2.709 -0.559) 3.124 10.964 ( -1.609 1.290 -4.729) 5.159 11.212 ( 0.286 -0.334 0.516) 0.678 11.338 ( -2.293 -1.963 -3.174) 4.381 11.396 ( 0.386 -1.447 -1.532) 2.142 11.427 ( -0.300 -2.231 -2.219) 3.161 11.712 ( 1.278 1.406 -7.455) 7.693 11.738 ( 0.947 1.306 -7.321) 7.496 12.042 ( -0.339 -2.166 -1.947) 2.932 12.175 ( -3.975 -5.531 -0.335) 6.819 16.081 ( 0.014 0.586 1.671) 1.771 16.099 ( -0.534 0.300 1.464) 1.587 16.164 ( 1.404 -0.214 2.236) 2.649 16.245 ( -0.826 -0.602 0.882) 1.350 22.666 ( -0.343 -5.115 1.988) 5.499 22.866 ( 1.059 -7.504 1.234) 7.678 22.972 ( 6.170 -4.308 0.779) 7.565 23.152 ( 5.948 14.301 -0.696) 15.504 23.334 ( -2.932 -1.053 1.977) 3.689 23.643 ( 2.408 9.032 -8.716) 12.781 24.026 ( -2.573 3.678 -8.843) 9.917 24.065 ( -6.022 8.897 -15.555) 18.904 25.661 ( -0.083 3.429 14.352) 14.756 25.742 ( -3.061 0.774 13.180) 13.553 26.561 ( 9.736 -6.049 20.850) 23.793 27.286 ( -9.775 -13.082 3.579) 16.718 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 3.065 3.305 16.550) 17.152 1.969 ( -1.008 5.303 6.124) 8.163 2.097 ( 2.182 9.157 16.144) 18.688 2.120 ( -1.353 10.085 10.354) 14.517 2.544 ( 2.965 6.472 0.793) 7.163 2.650 ( -7.517 4.162 7.229) 11.229 2.737 ( 3.761 5.121 -7.180) 9.587 2.859 ( -8.705 1.611 -14.543) 17.026 3.066 ( 1.679 2.513 -19.511) 19.743 3.101 ( -1.898 0.817 -19.055) 19.167 3.619 ( 8.210 -2.219 -3.686) 9.269 3.689 ( 4.857 -2.335 -0.408) 5.405 3.748 ( 14.466 7.167 24.106) 29.013 3.823 ( 2.227 0.103 -0.406) 2.266 3.958 ( -8.730 -2.796 4.296) 10.124 4.104 ( -17.675 2.503 23.898) 29.829 4.246 ( 2.861 -0.682 -9.638) 10.076 4.259 ( 1.847 -2.850 -10.297) 10.842 4.417 ( 5.208 2.542 -0.392) 5.808 4.532 ( -4.192 4.923 -5.978) 8.806 4.811 ( 2.313 4.918 2.326) 5.912 4.829 ( -0.415 -0.515 0.381) 0.763 4.833 ( -0.772 -0.418 1.999) 2.183 4.930 ( -8.073 2.430 1.073) 8.498 5.405 ( 1.663 -1.842 -4.119) 4.809 5.434 ( -1.387 -2.676 -6.679) 7.328 5.544 ( 0.560 0.638 -4.206) 4.290 5.580 ( -2.507 1.543 -3.619) 4.665 5.778 ( 9.230 -0.203 2.211) 9.493 5.837 ( 3.253 -4.351 -1.348) 5.597 5.872 ( 0.019 -2.079 -3.155) 3.778 5.957 ( -4.497 2.185 2.404) 5.548 6.010 ( 6.827 -1.191 3.453) 7.743 6.125 ( 2.456 -0.944 1.780) 3.177 6.140 ( -1.582 -1.554 -1.235) 2.538 6.183 ( -7.005 -0.600 1.208) 7.134 6.260 ( -0.970 -3.841 0.248) 3.969 6.273 ( -1.880 -3.897 -2.099) 4.809 6.531 ( 4.723 3.890 -2.407) 6.575 6.619 ( -4.613 5.462 -1.557) 7.317 6.763 ( 10.599 -0.780 -3.270) 11.119 6.964 ( -9.049 -3.834 -3.356) 10.385 7.140 ( 4.077 -5.381 -7.862) 10.363 7.245 ( -6.042 -4.469 -4.366) 8.692 7.445 ( 0.692 5.904 -2.797) 6.570 7.469 ( -1.366 6.047 -6.784) 9.190 8.121 ( 5.731 -5.131 4.185) 8.757 8.202 ( -2.876 -7.836 3.361) 8.998 8.606 ( 1.054 1.441 10.016) 10.173 8.626 ( -1.072 1.639 9.008) 9.218 8.904 ( 1.287 -2.405 5.928) 6.525 8.922 ( -0.622 -3.814 4.509) 5.939 9.072 ( 1.162 3.685 2.029) 4.364 9.090 ( -0.596 4.615 2.217) 5.154 9.634 ( 2.099 -0.832 -1.688) 2.819 9.679 ( -2.434 -0.800 -4.061) 4.802 10.726 ( 0.662 0.512 -1.216) 1.476 10.736 ( -0.343 1.086 -1.261) 1.699 10.863 ( 2.905 2.252 -1.458) 3.954 10.920 ( -3.044 1.747 -3.017) 4.628 11.233 ( 2.153 -1.217 -1.031) 2.680 11.285 ( -3.217 -1.830 -2.499) 4.466 11.405 ( 0.647 -1.708 -1.706) 2.499 11.418 ( -0.647 -1.972 -1.922) 2.829 11.739 ( 1.387 1.172 -7.505) 7.721 11.751 ( 0.158 1.255 -7.330) 7.438 12.046 ( 1.262 -2.674 -0.776) 3.057 12.096 ( -4.013 -3.854 0.138) 5.566 16.083 ( 0.245 0.579 1.662) 1.777 16.090 ( -0.470 0.478 1.654) 1.785 16.194 ( 1.737 -0.368 1.622) 2.405 16.224 ( -1.472 -0.507 1.168) 1.946 22.705 ( 4.102 -6.464 3.560) 8.443 22.797 ( -5.389 -7.267 4.242) 9.992 23.114 ( 6.502 0.162 0.856) 6.561 23.212 ( -3.695 1.157 1.380) 4.111 23.402 ( 13.321 8.868 -10.196) 18.975 23.623 ( -7.145 2.603 -12.797) 14.886 23.955 ( -2.222 10.716 -10.109) 14.898 23.979 ( -3.290 6.744 -8.009) 10.975 25.664 ( 0.653 2.711 14.417) 14.684 25.690 ( -2.237 1.748 14.203) 14.484 26.787 ( 14.215 -7.842 16.318) 23.018 27.056 ( -14.507 -10.409 10.204) 20.565 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 0.000 11.084 20.474) 23.282 2.084 ( 0.000 7.918 23.567) 24.862 2.251 ( 0.000 17.380 -2.440) 17.551 2.276 ( 0.000 7.297 4.239) 8.439 2.751 ( 0.000 7.220 -9.078) 11.599 2.809 ( 0.000 10.507 4.482) 11.423 2.937 ( 0.000 -3.272 4.437) 5.513 3.113 ( 0.000 -0.331 -0.563) 0.653 3.127 ( 0.000 4.217 -15.704) 16.260 3.146 ( 0.000 -3.986 -8.692) 9.562 3.210 ( 0.000 -6.509 -11.251) 12.998 3.527 ( 0.000 8.302 -0.693) 8.331 3.739 ( 0.000 20.453 31.979) 37.960 3.853 ( 0.000 0.186 -9.872) 9.874 4.008 ( 0.000 -4.300 1.730) 4.635 4.134 ( 0.000 -5.680 -11.079) 12.450 4.172 ( 0.000 7.439 -6.982) 10.202 4.391 ( 0.000 -2.994 2.080) 3.646 4.418 ( 0.000 -0.744 5.762) 5.810 4.752 ( 0.000 4.758 2.842) 5.542 4.785 ( 0.000 -1.246 -11.790) 11.856 4.841 ( 0.000 -0.952 -0.817) 1.255 4.951 ( 0.000 -0.982 -0.862) 1.306 5.115 ( 0.000 1.107 1.888) 2.188 5.344 ( 0.000 3.557 -0.222) 3.563 5.417 ( 0.000 -0.276 4.574) 4.582 5.499 ( 0.000 1.419 -1.256) 1.895 5.638 ( 0.000 -1.563 -3.829) 4.136 5.711 ( 0.000 -1.726 1.032) 2.011 5.760 ( 0.000 3.569 -4.869) 6.037 5.784 ( 0.000 -4.491 -4.188) 6.141 5.868 ( 0.000 -2.774 4.938) 5.664 5.905 ( 0.000 -3.908 3.412) 5.188 6.098 ( 0.000 -4.133 2.064) 4.620 6.117 ( 0.000 2.463 -2.350) 3.404 6.177 ( 0.000 -0.294 -1.007) 1.049 6.291 ( 0.000 5.789 -4.829) 7.539 6.299 ( 0.000 1.319 -0.256) 1.344 6.491 ( 0.000 -7.903 -3.372) 8.593 6.537 ( 0.000 -1.578 -3.784) 4.100 6.720 ( 0.000 -4.714 -7.473) 8.835 6.882 ( 0.000 2.111 -3.962) 4.490 7.238 ( 0.000 -1.427 -0.963) 1.722 7.383 ( 0.000 4.507 0.964) 4.609 7.548 ( 0.000 -4.825 -7.388) 8.824 7.616 ( 0.000 7.434 -0.441) 7.447 7.867 ( 0.000 -3.628 2.514) 4.415 8.009 ( 0.000 -10.036 4.124) 10.850 8.603 ( 0.000 1.175 9.321) 9.395 8.626 ( 0.000 -2.311 7.363) 7.717 8.830 ( 0.000 -5.361 3.513) 6.410 8.853 ( 0.000 -2.827 6.088) 6.712 9.105 ( 0.000 4.626 4.430) 6.405 9.194 ( 0.000 5.314 3.002) 6.104 9.585 ( 0.000 -1.306 2.201) 2.559 9.694 ( 0.000 -2.727 -3.013) 4.063 10.732 ( 0.000 0.953 -1.685) 1.936 10.737 ( 0.000 1.411 -1.881) 2.352 10.887 ( 0.000 4.998 -0.904) 5.079 11.009 ( 0.000 1.993 -5.270) 5.634 11.217 ( 0.000 0.482 -0.619) 0.785 11.312 ( 0.000 -3.042 -2.502) 3.939 11.357 ( 0.000 -2.249 -2.735) 3.541 11.370 ( 0.000 -3.645 -3.670) 5.173 11.736 ( 0.000 2.132 -6.563) 6.900 11.761 ( 0.000 2.154 -6.643) 6.983 11.994 ( 0.000 -3.355 -3.628) 4.942 12.081 ( 0.000 -6.888 -1.058) 6.968 16.099 ( 0.000 1.339 1.414) 1.947 16.111 ( 0.000 0.368 1.255) 1.308 16.146 ( 0.000 -0.261 2.547) 2.561 16.235 ( 0.000 -1.225 0.764) 1.444 22.616 ( 0.000 -5.778 0.172) 5.780 22.660 ( 0.000 -4.103 -1.646) 4.421 22.892 ( 0.000 -1.906 6.998) 7.253 23.182 ( 0.000 -8.589 5.246) 10.064 23.455 ( 0.000 17.968 -4.591) 18.545 23.914 ( 0.000 14.188 -10.986) 17.944 24.106 ( 0.000 3.735 -9.471) 10.181 24.286 ( 0.000 7.788 -17.126) 18.814 25.773 ( 0.000 8.023 14.558) 16.622 25.792 ( 0.000 1.590 14.148) 14.237 26.324 ( 0.000 -8.992 21.915) 23.688 27.031 ( 0.000 -20.911 6.741) 21.970 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -1.117 9.746 18.042) 20.536 2.163 ( 4.509 8.814 19.691) 22.040 2.199 ( -2.679 11.357 3.934) 12.314 2.320 ( 2.510 12.043 2.057) 12.473 2.700 ( -3.379 6.958 -3.664) 8.559 2.832 ( -0.867 7.349 2.842) 7.927 2.883 ( -4.320 2.963 7.441) 9.100 3.004 ( -6.791 -0.619 -14.515) 16.037 3.093 ( -1.325 -2.890 -3.220) 4.525 3.139 ( -0.457 2.302 -14.852) 15.037 3.348 ( 9.020 -5.167 -10.363) 14.678 3.618 ( 8.313 7.237 0.601) 11.038 3.800 ( 5.270 15.952 25.394) 30.449 3.812 ( -3.507 -2.762 -2.073) 4.922 4.003 ( -1.607 -0.271 -1.049) 1.938 4.144 ( 2.438 -4.107 -9.869) 10.963 4.221 ( 3.477 5.499 -8.753) 10.906 4.366 ( -3.125 0.587 5.328) 6.205 4.386 ( -2.169 -2.021 6.602) 7.237 4.672 ( -3.680 3.497 -6.144) 7.970 4.817 ( -0.329 -0.180 -1.976) 2.011 4.847 ( -0.103 0.560 -0.049) 0.571 4.941 ( -1.082 1.275 -1.674) 2.366 5.067 ( -3.934 2.695 -0.220) 4.774 5.382 ( 1.758 2.006 0.623) 2.739 5.418 ( 0.958 -0.879 0.953) 1.612 5.568 ( 4.760 0.556 0.873) 4.871 5.590 ( -3.232 -0.182 -5.150) 6.083 5.680 ( -1.076 -3.752 -1.202) 4.084 5.708 ( -2.627 1.629 -3.222) 4.465 5.787 ( -0.329 -7.050 -2.949) 7.649 5.902 ( 3.932 -0.578 5.432) 6.730 5.971 ( 4.719 -2.777 3.653) 6.582 6.090 ( -1.481 2.003 -2.106) 3.262 6.111 ( 1.551 -4.442 1.867) 5.062 6.225 ( -2.675 0.396 -4.391) 5.157 6.259 ( -0.450 -0.500 -0.878) 1.106 6.281 ( -1.614 1.418 1.031) 2.383 6.508 ( 4.033 2.564 -3.711) 6.050 6.588 ( 4.870 -4.209 -4.446) 7.823 6.731 ( 0.682 -2.349 -2.333) 3.380 6.876 ( -0.373 -1.479 -8.301) 8.440 7.165 ( -6.834 -1.604 -1.063) 7.099 7.341 ( -6.317 0.848 -0.328) 6.382 7.504 ( -1.455 -0.887 -4.165) 4.501 7.609 ( -0.704 6.997 -4.251) 8.217 7.931 ( 4.941 -4.332 2.517) 7.036 8.022 ( 1.147 -10.335 3.766) 11.059 8.609 ( 0.705 1.053 9.142) 9.229 8.631 ( 0.345 -1.730 7.347) 7.556 8.834 ( 0.335 -5.163 3.818) 6.430 8.851 ( -0.247 -3.119 5.818) 6.606 9.124 ( 1.978 5.128 4.173) 6.901 9.199 ( 0.342 5.715 2.991) 6.459 9.586 ( 0.286 -1.703 1.987) 2.633 9.682 ( -1.378 -2.879 -2.316) 3.943 10.730 ( 0.619 1.465 -1.689) 2.319 10.762 ( 1.604 2.007 -1.851) 3.167 10.890 ( 0.429 4.176 -1.165) 4.356 10.997 ( -1.312 2.076 -4.608) 5.221 11.208 ( -0.605 0.117 -0.937) 1.121 11.289 ( -2.250 -2.994 -2.489) 4.497 11.358 ( 0.122 -2.410 -2.936) 3.800 11.371 ( -0.014 -3.485 -3.317) 4.811 11.745 ( 0.984 2.023 -6.619) 6.991 11.770 ( 0.843 1.981 -6.478) 6.826 11.987 ( -0.596 -3.414 -3.353) 4.822 12.058 ( -2.345 -6.116 -1.091) 6.640 16.099 ( -0.013 1.274 1.418) 1.906 16.108 ( -0.251 0.605 1.499) 1.636 16.158 ( 1.185 -0.427 2.120) 2.466 16.228 ( -0.723 -1.157 0.863) 1.614 22.582 ( -0.189 -3.508 1.839) 3.966 22.750 ( 3.237 -4.862 1.734) 6.093 22.878 ( 1.415 -4.382 3.054) 5.525 23.170 ( -1.653 -8.506 4.373) 9.706 23.517 ( 6.439 17.420 -6.332) 19.622 23.897 ( -2.050 14.057 -11.709) 18.409 24.101 ( -0.423 3.987 -9.322) 10.148 24.238 ( -4.808 8.163 -15.829) 18.447 25.764 ( -0.963 6.999 14.691) 16.302 25.772 ( -1.580 3.165 14.846) 15.262 26.403 ( 7.933 -10.091 20.190) 23.925 26.964 ( -7.065 -19.494 8.541) 22.424 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 2.647 9.200 12.239) 15.538 2.112 ( -4.668 9.499 6.659) 12.504 2.279 ( 5.688 9.277 15.013) 18.542 2.345 ( -0.680 11.795 6.719) 13.591 2.662 ( 0.201 3.698 1.403) 3.960 2.729 ( -6.513 2.084 8.851) 11.185 2.868 ( 0.980 9.137 -3.086) 9.694 2.910 ( -3.615 5.232 -9.975) 11.829 3.096 ( 1.072 -1.271 -9.342) 9.489 3.120 ( -1.384 0.675 -13.774) 13.860 3.512 ( 8.994 -6.122 -7.259) 13.079 3.674 ( -8.298 -5.715 -6.392) 11.932 3.787 ( 8.438 3.217 2.020) 9.253 3.918 ( -3.764 3.049 1.727) 5.142 3.985 ( 8.851 12.315 20.445) 25.456 4.177 ( -8.638 4.109 10.799) 14.426 4.216 ( 3.540 -1.354 -7.042) 7.997 4.279 ( -2.984 2.436 -6.150) 7.257 4.460 ( 7.932 1.904 -0.386) 8.167 4.598 ( -5.871 1.577 -5.550) 8.231 4.811 ( 0.267 0.057 0.262) 0.378 4.829 ( -1.351 0.943 0.845) 1.851 4.929 ( 1.066 5.058 -2.013) 5.547 4.989 ( -4.463 4.029 -2.244) 6.418 5.390 ( 0.600 0.643 -2.456) 2.608 5.422 ( -2.327 1.671 -3.057) 4.190 5.530 ( 1.826 -1.894 0.690) 2.720 5.593 ( -3.924 -0.295 0.919) 4.041 5.719 ( 2.174 -5.900 -4.114) 7.514 5.743 ( 1.717 -5.642 -2.265) 6.318 5.816 ( 8.407 -2.578 -1.982) 9.014 5.976 ( 2.796 -2.667 4.739) 6.115 5.997 ( -4.846 1.660 0.033) 5.122 6.038 ( -3.385 -6.115 -2.246) 7.341 6.155 ( 2.844 -4.513 1.937) 5.675 6.167 ( 0.614 1.615 -0.400) 1.773 6.226 ( -2.474 -0.146 0.692) 2.573 6.241 ( -3.189 4.920 1.878) 6.157 6.613 ( 5.844 4.202 -2.743) 7.703 6.698 ( -0.813 0.449 0.377) 1.002 6.734 ( 6.590 -0.538 -3.013) 7.266 6.866 ( -3.222 -5.437 -6.128) 8.803 7.065 ( -0.460 -3.091 -5.436) 6.270 7.175 ( -9.702 -3.140 -4.929) 11.326 7.527 ( 2.812 3.316 -3.604) 5.647 7.580 ( -2.519 5.145 -4.733) 7.431 8.006 ( 2.972 -6.476 2.640) 7.599 8.035 ( -0.205 -9.120 2.929) 9.581 8.624 ( 0.746 0.585 8.576) 8.629 8.633 ( -0.174 -0.493 7.761) 7.779 8.840 ( 0.339 -4.596 4.488) 6.433 8.846 ( -0.286 -3.838 5.180) 6.454 9.167 ( 2.320 6.034 3.505) 7.353 9.197 ( -0.796 6.303 3.051) 7.048 9.603 ( 1.721 -2.554 1.145) 3.286 9.645 ( -2.474 -2.991 -0.567) 3.922 10.753 ( 1.637 2.458 -1.669) 3.392 10.776 ( -0.443 3.152 -1.680) 3.599 10.913 ( 2.224 2.568 -2.016) 3.951 10.961 ( -2.567 2.234 -3.174) 4.654 11.208 ( 0.877 -1.057 -1.682) 2.172 11.242 ( -2.552 -2.418 -2.259) 4.179 11.362 ( 0.293 -2.763 -3.025) 4.108 11.368 ( -0.317 -3.156 -3.076) 4.418 11.767 ( 1.263 1.763 -6.570) 6.919 11.781 ( -0.005 1.737 -6.437) 6.667 11.983 ( 0.491 -3.726 -2.492) 4.510 12.010 ( -2.397 -4.648 -1.533) 5.449 16.100 ( 0.133 1.151 1.485) 1.883 16.103 ( -0.234 0.938 1.569) 1.843 16.184 ( 1.508 -0.708 1.575) 2.292 16.210 ( -1.286 -0.970 1.145) 1.977 22.618 ( 3.828 -2.531 4.398) 6.356 22.705 ( -5.064 -2.199 6.114) 8.238 22.993 ( 7.878 -9.077 -0.726) 12.041 23.112 ( -4.817 -8.982 2.064) 10.399 23.669 ( 9.384 15.869 -10.587) 21.259 23.823 ( -6.537 14.096 -12.939) 20.220 24.101 ( 0.765 5.664 -9.588) 11.162 24.145 ( -4.257 8.085 -12.114) 15.174 25.746 ( -0.473 5.070 15.205) 16.035 25.750 ( -0.804 5.862 15.130) 16.246 26.585 ( 11.263 -12.769 16.741) 23.879 26.793 ( -10.990 -16.232 12.574) 23.289 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 0.000 11.384 19.817) 22.854 2.305 ( 0.000 13.388 14.598) 19.807 2.431 ( 0.000 8.419 4.803) 9.693 2.518 ( 0.000 8.739 0.475) 8.752 2.773 ( 0.000 -5.456 1.347) 5.620 2.783 ( 0.000 -11.317 7.214) 13.421 2.997 ( 0.000 0.983 3.208) 3.355 3.052 ( 0.000 -3.280 -7.725) 8.393 3.128 ( 0.000 12.926 14.032) 19.078 3.188 ( 0.000 1.027 -21.660) 21.684 3.223 ( 0.000 2.501 -16.632) 16.819 3.630 ( 0.000 0.455 3.742) 3.770 3.846 ( 0.000 -7.883 4.107) 8.889 3.863 ( 0.000 0.031 -3.605) 3.605 4.068 ( 0.000 8.396 -1.366) 8.507 4.203 ( 0.000 13.399 9.806) 16.604 4.297 ( 0.000 -3.045 -0.665) 3.117 4.314 ( 0.000 3.262 -11.430) 11.886 4.442 ( 0.000 3.835 -1.279) 4.043 4.730 ( 0.000 -5.107 -10.262) 11.462 4.825 ( 0.000 -0.054 -5.822) 5.823 4.868 ( 0.000 7.396 1.290) 7.507 4.905 ( 0.000 -3.027 -10.748) 11.166 5.125 ( 0.000 -1.261 11.324) 11.394 5.385 ( 0.000 0.599 3.214) 3.269 5.432 ( 0.000 1.738 0.156) 1.745 5.537 ( 0.000 1.466 -6.017) 6.193 5.539 ( 0.000 -7.545 3.987) 8.533 5.680 ( 0.000 -3.547 5.225) 6.315 5.719 ( 0.000 0.900 -3.241) 3.364 5.829 ( 0.000 2.392 -5.693) 6.175 5.830 ( 0.000 -1.212 8.005) 8.096 5.868 ( 0.000 -0.286 5.893) 5.900 5.971 ( 0.000 -5.834 2.381) 6.301 6.188 ( 0.000 4.358 -6.107) 7.503 6.204 ( 0.000 1.927 -3.348) 3.863 6.338 ( 0.000 2.458 1.232) 2.750 6.366 ( 0.000 0.155 -1.210) 1.220 6.372 ( 0.000 -3.563 -6.167) 7.122 6.570 ( 0.000 3.967 -5.610) 6.871 6.605 ( 0.000 -5.092 -6.370) 8.156 6.869 ( 0.000 -3.844 -3.134) 4.960 7.221 ( 0.000 0.269 -0.046) 0.273 7.404 ( 0.000 -8.760 -2.469) 9.101 7.499 ( 0.000 7.557 -0.557) 7.577 7.728 ( 0.000 3.661 -2.107) 4.224 7.812 ( 0.000 -2.054 1.158) 2.358 7.839 ( 0.000 -8.196 1.147) 8.276 8.601 ( 0.000 0.565 7.007) 7.029 8.629 ( 0.000 1.711 8.310) 8.484 8.736 ( 0.000 -4.261 4.913) 6.504 8.767 ( 0.000 -5.741 4.214) 7.121 9.208 ( 0.000 5.481 5.516) 7.776 9.276 ( 0.000 2.840 4.181) 5.055 9.560 ( 0.000 -1.063 3.865) 4.008 9.623 ( 0.000 -4.210 1.447) 4.452 10.759 ( 0.000 1.610 -2.406) 2.895 10.768 ( 0.000 1.486 -2.397) 2.821 10.991 ( 0.000 5.433 -1.649) 5.677 11.052 ( 0.000 2.364 -5.081) 5.604 11.227 ( 0.000 0.315 -3.546) 3.560 11.250 ( 0.000 -3.237 -2.195) 3.911 11.298 ( 0.000 -3.421 -3.421) 4.838 11.312 ( 0.000 -2.303 -3.581) 4.257 11.782 ( 0.000 2.750 -5.905) 6.514 11.808 ( 0.000 2.686 -5.286) 5.930 11.925 ( 0.000 -3.614 -5.045) 6.206 11.967 ( 0.000 -5.090 -2.645) 5.736 16.119 ( 0.000 0.510 1.508) 1.592 16.131 ( 0.000 1.790 1.069) 2.085 16.140 ( 0.000 -0.277 2.261) 2.278 16.207 ( 0.000 -1.738 0.786) 1.907 22.537 ( 0.000 -2.271 0.717) 2.382 22.583 ( 0.000 -3.726 -1.316) 3.951 22.883 ( 0.000 0.920 7.359) 7.416 23.030 ( 0.000 -6.830 6.815) 9.649 23.768 ( 0.000 13.907 -7.664) 15.879 24.047 ( 0.000 -0.202 -9.409) 9.411 24.246 ( 0.000 9.845 -14.002) 17.117 24.396 ( 0.000 3.105 -17.289) 17.565 25.847 ( 0.000 4.402 16.816) 17.382 25.970 ( 0.000 12.592 14.604) 19.283 26.141 ( 0.000 -9.644 20.421) 22.584 26.627 ( 0.000 -20.710 11.287) 23.586 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -1.485 12.752 12.207) 17.715 2.344 ( 3.335 9.968 15.549) 18.768 2.396 ( -3.044 9.508 5.182) 11.248 2.529 ( 0.790 7.356 0.795) 7.441 2.716 ( -5.109 -5.485 2.025) 7.765 2.790 ( 0.219 -7.902 7.436) 10.852 2.964 ( -4.622 -3.540 8.045) 9.930 3.033 ( 0.541 1.009 -8.264) 8.343 3.101 ( -0.998 14.748 6.946) 16.332 3.196 ( -2.978 1.990 -12.771) 13.264 3.288 ( 7.736 -2.639 -15.643) 17.650 3.620 ( -3.920 -9.071 2.802) 10.271 3.793 ( 3.638 6.392 -1.042) 7.428 4.012 ( 7.186 -0.477 -2.590) 7.654 4.073 ( 0.971 4.190 -4.342) 6.111 4.194 ( 0.241 12.117 10.540) 16.061 4.298 ( -1.462 -0.807 -8.027) 8.199 4.331 ( 1.740 1.310 0.693) 2.286 4.417 ( -1.006 3.942 -3.696) 5.497 4.666 ( -5.009 -4.309 -8.180) 10.515 4.834 ( 0.460 2.110 -0.806) 2.305 4.910 ( 2.227 5.904 -0.507) 6.330 4.931 ( 2.762 -0.867 -10.208) 10.611 5.112 ( -1.535 0.295 7.941) 8.094 5.406 ( 1.648 -0.432 3.614) 3.995 5.420 ( 0.282 2.048 -0.354) 2.098 5.557 ( 1.656 -6.188 3.048) 7.093 5.570 ( 2.176 -1.701 -4.887) 5.613 5.618 ( -7.207 1.139 -4.259) 8.448 5.665 ( 0.064 -3.495 4.571) 5.755 5.774 ( -5.737 3.862 -1.938) 7.183 5.883 ( 3.273 -1.453 7.398) 8.219 5.910 ( 3.306 -3.002 3.043) 5.404 5.980 ( 0.832 -7.217 1.402) 7.399 6.144 ( -3.632 3.194 -3.201) 5.800 6.245 ( -1.465 -0.972 -1.777) 2.500 6.277 ( -1.578 3.943 -4.227) 5.992 6.346 ( 1.475 5.252 1.081) 5.561 6.476 ( 6.690 -5.780 -4.931) 10.124 6.603 ( 3.082 2.821 -4.417) 6.080 6.650 ( 5.034 -2.826 -5.208) 7.775 6.843 ( -2.435 -3.165 -3.475) 5.293 7.148 ( -7.266 0.345 -0.454) 7.288 7.299 ( -9.429 -5.296 -1.913) 10.983 7.536 ( 2.916 5.087 -2.225) 6.271 7.717 ( -1.479 4.208 -3.415) 5.617 7.835 ( 1.324 -7.834 1.790) 8.144 7.855 ( 2.109 -4.980 0.084) 5.409 8.612 ( 1.105 0.632 7.041) 7.155 8.635 ( 0.454 1.671 8.134) 8.316 8.740 ( 0.478 -4.413 4.940) 6.641 8.767 ( -0.061 -5.235 4.671) 7.016 9.234 ( 2.694 5.808 5.258) 8.285 9.293 ( 1.684 3.754 4.086) 5.799 9.549 ( -1.036 -1.891 3.831) 4.396 9.607 ( -1.710 -4.493 1.784) 5.128 10.770 ( 1.623 2.406 -2.319) 3.714 10.801 ( 2.926 1.543 -2.331) 4.046 10.973 ( -1.809 4.326 -1.908) 5.062 11.040 ( -1.484 2.117 -4.119) 4.863 11.214 ( -1.096 -0.068 -3.866) 4.019 11.236 ( -1.311 -1.689 -1.832) 2.816 11.298 ( 0.062 -3.741 -3.979) 5.462 11.309 ( -0.232 -2.604 -3.502) 4.370 11.789 ( 0.718 2.585 -5.844) 6.430 11.813 ( 0.429 2.433 -5.366) 5.908 11.919 ( -0.555 -3.500 -4.768) 5.941 11.954 ( -1.238 -4.654 -2.857) 5.600 16.120 ( 0.080 0.780 1.538) 1.726 16.130 ( -0.089 1.802 1.179) 2.155 16.148 ( 0.860 -0.620 1.960) 2.228 16.202 ( -0.552 -1.639 0.879) 1.940 22.543 ( 1.887 -0.319 1.728) 2.579 22.656 ( 6.126 -5.095 -0.324) 7.975 22.840 ( -4.032 0.627 6.738) 7.877 23.011 ( -2.396 -7.526 5.808) 9.804 23.817 ( 5.198 13.256 -8.756) 16.715 24.065 ( 1.759 1.557 -10.257) 10.522 24.213 ( -3.364 8.510 -13.408) 16.233 24.350 ( -4.605 3.135 -16.223) 17.153 25.849 ( 0.471 5.801 16.881) 17.856 25.954 ( -1.717 12.229 14.801) 19.276 26.196 ( 5.589 -11.082 19.288) 22.936 26.583 ( -4.638 -19.681 12.192) 23.611 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 1.925 11.631 6.567) 13.495 2.310 ( -4.488 10.549 4.451) 12.297 2.441 ( 5.512 7.020 7.961) 11.960 2.527 ( -2.471 6.134 1.879) 6.875 2.648 ( 0.240 -3.461 6.715) 7.558 2.730 ( -6.432 0.715 13.241) 14.738 2.947 ( 3.676 -9.156 3.406) 10.438 3.022 ( -2.678 -2.257 -1.786) 3.932 3.106 ( 0.824 11.849 0.282) 11.881 3.133 ( -2.762 5.823 -4.408) 7.808 3.418 ( 6.247 -4.848 -10.664) 13.276 3.523 ( -5.582 -8.285 -4.566) 10.984 3.910 ( 6.959 8.141 -2.012) 10.897 4.013 ( -3.987 6.818 -4.458) 9.070 4.161 ( 5.255 0.111 -4.946) 7.217 4.231 ( 0.327 1.589 1.166) 1.998 4.259 ( 0.358 7.462 0.773) 7.511 4.318 ( -2.590 2.324 2.118) 4.074 4.463 ( 4.921 -1.547 -4.697) 6.977 4.565 ( -5.861 -4.834 -6.437) 9.958 4.858 ( 2.505 5.293 2.519) 6.375 4.912 ( -2.312 7.330 2.778) 8.173 4.990 ( 3.984 1.849 -6.482) 7.830 5.064 ( -3.667 2.306 0.359) 4.347 5.420 ( 1.741 1.910 -0.586) 2.650 5.482 ( 2.496 2.139 2.927) 4.401 5.488 ( -3.229 -0.459 -2.211) 3.940 5.564 ( -2.601 -2.627 -0.470) 3.727 5.604 ( 2.113 -5.733 -1.328) 6.252 5.666 ( -4.875 -0.017 -0.313) 4.885 5.746 ( 7.905 -5.587 1.374) 9.777 5.886 ( -5.320 -7.104 2.132) 9.128 5.954 ( 3.342 -1.476 1.257) 3.864 6.012 ( 0.177 -1.088 -1.743) 2.062 6.070 ( -0.827 -1.751 2.937) 3.518 6.146 ( -5.906 -2.853 0.057) 6.560 6.324 ( 3.256 7.866 -0.069) 8.513 6.362 ( -0.539 7.259 0.319) 7.286 6.605 ( 6.131 -6.145 -4.141) 9.618 6.652 ( 1.169 -3.653 -1.906) 4.283 6.764 ( 5.369 2.426 -1.340) 6.042 6.819 ( 0.706 1.537 -5.433) 5.690 7.010 ( -4.490 -2.527 -3.115) 6.021 7.104 ( -10.811 -4.618 -4.035) 12.429 7.598 ( 3.777 4.688 -3.183) 6.809 7.668 ( -3.625 4.471 -3.686) 6.835 7.865 ( 1.677 -8.543 0.144) 8.707 7.881 ( 0.248 -6.573 -0.241) 6.582 8.632 ( 0.875 0.957 7.264) 7.379 8.640 ( 0.015 1.421 7.708) 7.838 8.752 ( 0.709 -4.456 5.166) 6.859 8.763 ( -0.438 -4.600 5.188) 6.948 9.291 ( 2.915 6.605 4.571) 8.545 9.318 ( 0.283 6.103 4.034) 7.321 9.537 ( 0.274 -4.258 3.581) 5.570 9.566 ( -2.457 -5.056 2.693) 6.233 10.815 ( 3.042 3.779 -2.153) 5.307 10.849 ( 0.857 3.991 -2.131) 4.605 10.944 ( 0.153 0.604 -2.287) 2.370 10.993 ( -3.512 0.578 -2.796) 4.526 11.201 ( -0.096 0.201 -3.553) 3.560 11.212 ( -1.122 0.128 -2.355) 2.611 11.300 ( 0.152 -3.711 -4.174) 5.587 11.304 ( -0.283 -3.221 -3.738) 4.942 11.805 ( 0.955 2.210 -5.740) 6.224 11.817 ( -0.168 2.094 -5.597) 5.978 11.913 ( 0.185 -3.416 -4.055) 5.305 11.929 ( -1.357 -3.831 -3.382) 5.287 16.123 ( 0.245 1.200 1.460) 1.906 16.127 ( -0.229 1.558 1.331) 2.062 16.167 ( 1.155 -1.004 1.515) 2.154 16.187 ( -0.989 -1.371 1.139) 2.039 22.610 ( 5.054 1.627 4.105) 6.711 22.706 ( -4.073 1.916 5.723) 7.281 22.824 ( 5.571 -7.951 1.322) 9.798 22.938 ( -5.536 -8.615 3.450) 10.806 23.941 ( 7.748 11.947 -11.368) 18.221 24.067 ( -4.294 10.161 -13.311) 17.287 24.170 ( 1.603 1.577 -11.039) 11.266 24.250 ( -5.713 2.550 -13.428) 14.814 25.871 ( 1.908 8.505 16.381) 18.555 25.913 ( -2.517 10.844 15.486) 19.071 26.324 ( 7.917 -13.990 16.966) 23.372 26.469 ( -7.498 -17.119 14.391) 23.588 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 0.000 -6.054 8.203) 10.195 2.484 ( 0.000 6.054 8.203) 10.195 2.571 ( 0.000 -5.188 6.566) 8.369 2.571 ( 0.000 5.188 6.566) 8.369 2.599 ( 0.000 -6.749 13.869) 15.424 2.599 ( 0.000 6.749 13.869) 15.424 3.013 ( 0.000 -1.694 -2.831) 3.299 3.013 ( 0.000 1.694 -2.831) 3.299 3.214 ( 0.000 -1.871 -18.274) 18.369 3.214 ( 0.000 1.871 -18.274) 18.369 3.443 ( 0.000 -16.342 7.020) 17.786 3.443 ( 0.000 16.342 7.020) 17.786 3.834 ( 0.000 -2.909 3.304) 4.403 3.834 ( 0.000 2.909 3.304) 4.403 4.188 ( 0.000 -5.800 -10.700) 12.170 4.188 ( 0.000 5.800 -10.700) 12.170 4.366 ( 0.000 -1.344 -1.271) 1.850 4.366 ( 0.000 1.344 -1.271) 1.850 4.582 ( 0.000 -9.541 -4.294) 10.463 4.582 ( 0.000 9.541 -4.294) 10.463 4.853 ( 0.000 -2.474 -11.687) 11.946 4.853 ( 0.000 2.474 -11.687) 11.946 5.032 ( 0.000 -8.549 11.521) 14.347 5.032 ( 0.000 8.549 11.521) 14.347 5.407 ( 0.000 -3.197 3.704) 4.893 5.407 ( 0.000 3.197 3.704) 4.893 5.497 ( 0.000 -3.633 -4.348) 5.666 5.497 ( 0.000 3.633 -4.348) 5.666 5.701 ( 0.000 -2.980 4.790) 5.641 5.701 ( 0.000 2.980 4.790) 5.641 5.818 ( 0.000 -0.792 3.350) 3.442 5.818 ( 0.000 0.792 3.350) 3.442 5.908 ( 0.000 -2.302 0.415) 2.339 5.908 ( 0.000 2.302 0.415) 2.339 6.229 ( 0.000 -0.303 -4.493) 4.503 6.229 ( 0.000 0.303 -4.493) 4.503 6.350 ( 0.000 -0.768 -3.364) 3.450 6.350 ( 0.000 0.768 -3.364) 3.450 6.437 ( 0.000 -7.789 -3.915) 8.718 6.437 ( 0.000 7.789 -3.915) 8.718 6.740 ( 0.000 -8.836 -3.708) 9.582 6.740 ( 0.000 8.836 -3.708) 9.582 7.267 ( 0.000 -4.895 -0.442) 4.915 7.267 ( 0.000 4.895 -0.442) 4.915 7.660 ( 0.000 -8.839 -1.106) 8.908 7.660 ( 0.000 8.839 -1.106) 8.908 7.784 ( 0.000 -1.194 -0.132) 1.201 7.784 ( 0.000 1.194 -0.132) 1.201 8.658 ( 0.000 -5.010 4.830) 6.959 8.658 ( 0.000 5.010 4.830) 6.959 8.671 ( 0.000 -2.656 6.930) 7.421 8.671 ( 0.000 2.656 6.930) 7.421 9.286 ( 0.000 -2.043 5.213) 5.599 9.286 ( 0.000 2.043 5.213) 5.599 9.561 ( 0.000 -1.645 3.851) 4.188 9.561 ( 0.000 1.645 3.851) 4.188 10.780 ( 0.000 -0.325 -2.593) 2.613 10.780 ( 0.000 0.325 -2.593) 2.613 11.070 ( 0.000 -1.797 -3.210) 3.679 11.070 ( 0.000 1.797 -3.210) 3.679 11.214 ( 0.000 -0.412 -4.541) 4.559 11.214 ( 0.000 0.412 -4.541) 4.559 11.277 ( 0.000 -1.078 -2.787) 2.988 11.277 ( 0.000 1.078 -2.787) 2.988 11.835 ( 0.000 -1.915 -4.551) 4.938 11.835 ( 0.000 1.915 -4.551) 4.938 11.891 ( 0.000 -2.176 -5.158) 5.598 11.891 ( 0.000 2.176 -5.158) 5.598 16.130 ( 0.000 -0.526 1.828) 1.902 16.130 ( 0.000 0.526 1.828) 1.902 16.170 ( 0.000 -2.043 0.913) 2.238 16.170 ( 0.000 2.043 0.913) 2.238 22.531 ( 0.000 -1.417 -0.108) 1.421 22.531 ( 0.000 1.417 -0.108) 1.421 22.928 ( 0.000 -3.864 7.445) 8.388 22.928 ( 0.000 3.864 7.445) 8.388 23.971 ( 0.000 -7.387 -8.763) 11.461 23.971 ( 0.000 7.387 -8.763) 11.461 24.387 ( 0.000 -4.145 -16.454) 16.968 24.387 ( 0.000 4.145 -16.454) 16.968 25.964 ( 0.000 -7.825 19.090) 20.632 25.964 ( 0.000 7.825 19.090) 20.632 26.262 ( 0.000 -17.270 13.497) 21.919 26.262 ( 0.000 17.270 13.497) 21.919 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -2.174 -5.228 2.576) 6.221 2.461 ( -2.174 5.228 2.576) 6.221 2.555 ( -2.586 -8.768 5.683) 10.764 2.555 ( -2.586 8.768 5.683) 10.764 2.609 ( 3.094 -7.171 15.629) 17.472 2.609 ( 3.094 7.171 15.629) 17.472 2.995 ( -3.831 -4.580 2.393) 6.432 2.995 ( -3.831 4.580 2.393) 6.432 3.232 ( 2.614 -2.839 -15.221) 15.702 3.232 ( 2.614 2.839 -15.221) 15.702 3.393 ( -3.582 -14.312 4.200) 15.340 3.393 ( -3.582 14.312 4.200) 15.340 3.929 ( 8.260 -6.638 1.473) 10.699 3.929 ( 8.260 6.638 1.473) 10.699 4.180 ( -0.860 -5.757 -9.785) 11.386 4.180 ( -0.860 5.757 -9.785) 11.386 4.365 ( 0.035 -1.659 -2.395) 2.914 4.365 ( 0.035 1.659 -2.395) 2.914 4.536 ( -4.264 -8.232 -4.399) 10.262 4.536 ( -4.264 8.232 -4.399) 10.262 4.893 ( 3.752 -3.082 -7.850) 9.230 4.893 ( 3.752 3.082 -7.850) 9.230 5.049 ( 1.209 -6.764 8.679) 11.070 5.049 ( 1.209 6.764 8.679) 11.070 5.423 ( 1.646 -2.877 2.626) 4.229 5.423 ( 1.646 2.877 2.626) 4.229 5.498 ( 0.429 -3.405 -3.332) 4.784 5.498 ( 0.429 3.405 -3.332) 4.784 5.649 ( -4.081 -0.968 2.783) 5.034 5.649 ( -4.081 0.968 2.783) 5.034 5.851 ( -1.086 -4.072 0.484) 4.242 5.851 ( -1.086 4.072 0.484) 4.242 5.880 ( 0.661 -1.213 4.838) 5.031 5.880 ( 0.661 1.213 4.838) 5.031 6.206 ( -4.370 -3.015 -2.469) 5.855 6.206 ( -4.370 3.015 -2.469) 5.855 6.363 ( 4.061 -4.845 -4.479) 7.748 6.363 ( 4.061 4.845 -4.479) 7.748 6.488 ( 3.894 -7.984 -3.324) 9.484 6.488 ( 3.894 7.984 -3.324) 9.484 6.748 ( 1.320 -6.329 -3.093) 7.167 6.748 ( 1.320 6.329 -3.093) 7.167 7.194 ( -7.682 -4.534 -1.055) 8.982 7.194 ( -7.682 4.534 -1.055) 8.982 7.671 ( 1.453 -8.189 -1.470) 8.446 7.671 ( 1.453 8.189 -1.470) 8.446 7.786 ( -0.287 -3.005 -1.167) 3.236 7.786 ( -0.287 3.005 -1.167) 3.236 8.661 ( 0.543 -3.996 5.525) 6.840 8.661 ( 0.543 3.996 5.525) 6.840 8.679 ( 0.616 -3.169 6.607) 7.353 8.679 ( 0.616 3.169 6.607) 7.353 9.317 ( 3.202 -1.915 5.066) 6.291 9.317 ( 3.202 1.915 5.066) 6.291 9.539 ( -2.328 -1.685 3.931) 4.870 9.539 ( -2.328 1.685 3.931) 4.870 10.806 ( 2.777 -1.044 -2.467) 3.859 10.806 ( 2.777 1.044 -2.467) 3.859 11.043 ( -2.891 -2.388 -2.791) 4.674 11.043 ( -2.891 2.388 -2.791) 4.674 11.216 ( 0.352 -1.666 -4.597) 4.902 11.216 ( 0.352 1.666 -4.597) 4.902 11.268 ( -0.881 -1.322 -3.041) 3.431 11.268 ( -0.881 1.322 -3.041) 3.431 11.839 ( 0.440 -1.870 -4.613) 4.997 11.839 ( 0.440 1.870 -4.613) 4.997 11.884 ( -0.713 -2.072 -5.106) 5.557 11.884 ( -0.713 2.072 -5.106) 5.557 16.134 ( 0.499 -0.758 1.722) 1.947 16.134 ( 0.499 0.758 1.722) 1.947 16.167 ( -0.332 -1.932 0.986) 2.194 16.167 ( -0.332 1.932 0.986) 2.194 22.572 ( 4.350 -3.218 0.695) 5.456 22.572 ( 4.350 3.218 0.695) 5.456 22.893 ( -3.736 -4.654 6.836) 9.075 22.893 ( -3.736 4.654 6.836) 9.075 24.009 ( 3.960 -6.684 -9.508) 12.278 24.009 ( 3.960 6.684 -9.508) 12.278 24.344 ( -4.573 -3.953 -15.692) 16.816 24.344 ( -4.573 3.953 -15.692) 16.816 25.994 ( 3.115 -9.260 18.444) 20.872 25.994 ( 3.115 9.260 18.444) 20.872 26.234 ( -2.961 -16.580 13.988) 21.894 26.234 ( -2.961 16.580 13.988) 21.894 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 0.758 -7.324 0.213) 7.366 2.442 ( 0.758 7.324 0.213) 7.366 2.489 ( -3.861 -7.721 1.817) 8.822 2.489 ( -3.861 7.721 1.817) 8.822 2.713 ( 7.641 -9.492 14.363) 18.836 2.713 ( 7.641 9.492 14.363) 18.836 2.869 ( -8.721 -8.838 9.468) 15.615 2.869 ( -8.721 8.838 9.468) 15.615 3.294 ( 3.272 -8.174 -8.028) 11.915 3.294 ( 3.272 8.174 -8.028) 11.915 3.342 ( -2.261 -11.234 -1.930) 11.621 3.342 ( -2.261 11.234 -1.930) 11.621 4.074 ( 6.583 -7.929 -2.167) 10.531 4.074 ( 6.583 7.929 -2.167) 10.531 4.154 ( -2.361 -6.810 -6.764) 9.884 4.154 ( -2.361 6.810 -6.764) 9.884 4.381 ( 2.176 -2.201 -4.267) 5.271 4.381 ( 2.176 2.201 -4.267) 5.271 4.449 ( -4.799 -5.261 -4.698) 8.531 4.449 ( -4.799 5.261 -4.698) 8.531 4.973 ( 4.622 -4.373 -1.134) 6.463 4.973 ( 4.622 4.373 -1.134) 6.463 5.043 ( -2.374 -4.608 3.781) 6.416 5.043 ( -2.374 4.608 3.781) 6.416 5.460 ( 2.336 -2.483 -0.416) 3.435 5.460 ( 2.336 2.483 -0.416) 3.435 5.502 ( -1.455 -1.974 -3.399) 4.192 5.502 ( -1.455 1.974 -3.399) 4.192 5.624 ( 3.445 -6.046 4.209) 8.133 5.624 ( 3.445 6.046 4.209) 8.133 5.742 ( -7.587 -6.907 1.955) 10.445 5.742 ( -7.587 6.907 1.955) 10.445 5.967 ( 6.180 -2.246 2.487) 7.030 5.967 ( 6.180 2.246 2.486) 7.030 6.091 ( -7.107 -2.587 -0.541) 7.582 6.091 ( -7.107 2.587 -0.541) 7.582 6.465 ( 5.385 -5.345 -2.173) 7.893 6.465 ( 5.385 5.345 -2.173) 7.893 6.526 ( -0.719 -6.600 -2.244) 7.008 6.526 ( -0.719 6.600 -2.244) 7.008 6.826 ( 7.940 -2.457 -3.276) 8.934 6.826 ( 7.940 2.457 -3.276) 8.934 7.013 ( -11.216 -3.738 -2.503) 12.084 7.013 ( -11.216 3.738 -2.503) 12.084 7.713 ( 2.888 -7.239 -2.353) 8.141 7.713 ( 2.888 7.239 -2.353) 8.141 7.763 ( -2.225 -5.631 -2.380) 6.505 7.763 ( -2.225 5.631 -2.380) 6.505 8.675 ( 0.812 -3.310 6.167) 7.046 8.675 ( 0.812 3.310 6.167) 7.046 8.685 ( -0.107 -3.183 6.488) 7.228 8.685 ( -0.107 3.183 6.488) 7.228 9.393 ( 4.775 -1.696 4.676) 6.895 9.393 ( 4.775 1.696 4.676) 6.895 9.478 ( -4.231 -1.671 4.221) 6.206 9.478 ( -4.231 1.671 4.221) 6.206 10.877 ( 4.764 -1.883 -2.249) 5.595 10.877 ( 4.764 1.883 -2.249) 5.595 10.969 ( -4.936 -2.473 -2.287) 5.976 10.969 ( -4.936 2.473 -2.287) 5.976 11.228 ( 0.949 -2.085 -4.319) 4.889 11.228 ( 0.949 2.085 -4.319) 4.889 11.248 ( -1.172 -1.787 -3.666) 4.243 11.248 ( -1.172 1.787 -3.666) 4.243 11.850 ( 0.818 -1.820 -4.772) 5.172 11.850 ( 0.818 1.820 -4.772) 5.172 11.867 ( -0.983 -1.894 -4.962) 5.401 11.867 ( -0.983 1.894 -4.962) 5.401 16.146 ( 0.711 -1.195 1.468) 2.022 16.146 ( 0.711 1.195 1.468) 2.022 16.158 ( -0.610 -1.624 1.189) 2.103 16.158 ( -0.610 1.624 1.189) 2.103 22.677 ( 6.673 -5.081 2.742) 8.824 22.677 ( 6.673 5.081 2.742) 8.824 22.799 ( -6.285 -5.534 5.107) 9.809 22.799 ( -6.285 5.534 5.107) 9.809 24.107 ( 6.554 -5.150 -11.434) 14.150 24.107 ( 6.554 5.150 -11.434) 14.150 24.234 ( -6.927 -4.012 -13.775) 15.932 24.234 ( -6.927 4.012 -13.775) 15.932 26.070 ( 4.866 -12.065 16.936) 21.356 26.070 ( 4.866 12.065 16.936) 21.356 26.161 ( -4.784 -14.706 15.275) 21.737 26.161 ( -4.784 14.706 15.275) 21.737 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 0.000 2.651) 2.651 2.111 ( 0.000 0.000 -9.871) 9.871 2.189 ( 0.000 0.000 9.791) 9.791 2.221 ( 0.000 0.000 7.028) 7.028 2.485 ( 0.000 0.000 7.501) 7.501 2.593 ( 0.000 0.000 -12.917) 12.917 2.833 ( 0.000 0.000 3.003) 3.003 2.851 ( 0.000 0.000 17.817) 17.817 2.898 ( 0.000 0.000 -12.597) 12.597 3.091 ( 0.000 0.000 -14.058) 14.058 3.293 ( 0.000 0.000 9.198) 9.198 3.338 ( 0.000 0.000 4.833) 4.833 3.639 ( 0.000 0.000 -16.977) 16.977 3.754 ( 0.000 0.000 -18.085) 18.085 4.004 ( 0.000 0.000 20.538) 20.538 4.033 ( 0.000 0.000 -0.309) 0.309 4.209 ( 0.000 0.000 -0.121) 0.121 4.361 ( 0.000 0.000 5.835) 5.835 4.442 ( 0.000 0.000 -3.980) 3.980 4.859 ( 0.000 0.000 0.935) 0.935 4.900 ( 0.000 0.000 0.835) 0.835 4.944 ( 0.000 0.000 -10.586) 10.586 4.978 ( 0.000 0.000 11.857) 11.857 5.211 ( 0.000 0.000 8.374) 8.374 5.299 ( 0.000 0.000 7.986) 7.986 5.373 ( 0.000 0.000 -2.076) 2.076 5.525 ( 0.000 0.000 -6.758) 6.758 5.531 ( 0.000 0.000 0.852) 0.852 5.647 ( 0.000 0.000 -0.606) 0.606 5.681 ( 0.000 0.000 -2.449) 2.449 5.742 ( 0.000 0.000 -2.594) 2.594 5.758 ( 0.000 0.000 -3.537) 3.537 6.084 ( 0.000 0.000 -0.216) 0.216 6.121 ( 0.000 0.000 2.873) 2.873 6.133 ( 0.000 0.000 1.966) 1.966 6.186 ( 0.000 0.000 1.403) 1.403 6.318 ( 0.000 0.000 -1.025) 1.025 6.328 ( 0.000 0.000 -2.064) 2.064 6.402 ( 0.000 0.000 -7.701) 7.701 6.466 ( 0.000 0.000 -8.132) 8.132 6.699 ( 0.000 0.000 0.046) 0.046 6.821 ( 0.000 0.000 -2.384) 2.384 7.240 ( 0.000 0.000 0.024) 0.024 7.371 ( 0.000 0.000 2.774) 2.774 7.389 ( 0.000 0.000 1.447) 1.447 7.464 ( 0.000 0.000 -7.840) 7.840 8.059 ( 0.000 0.000 4.524) 4.524 8.257 ( 0.000 0.000 -5.000) 5.000 8.767 ( 0.000 0.000 7.258) 7.258 8.793 ( 0.000 0.000 6.719) 6.719 9.011 ( 0.000 0.000 5.234) 5.234 9.039 ( 0.000 0.000 -0.129) 0.129 9.059 ( 0.000 0.000 0.057) 0.057 9.066 ( 0.000 0.000 2.326) 2.326 9.593 ( 0.000 0.000 -1.034) 1.034 9.602 ( 0.000 0.000 -3.019) 3.019 10.697 ( 0.000 0.000 -0.640) 0.640 10.708 ( 0.000 0.000 -1.004) 1.004 10.787 ( 0.000 0.000 0.750) 0.750 10.871 ( 0.000 0.000 -3.792) 3.792 11.244 ( 0.000 0.000 1.735) 1.735 11.321 ( 0.000 0.000 -2.026) 2.026 11.396 ( 0.000 0.000 -0.093) 0.093 11.424 ( 0.000 0.000 -1.346) 1.346 11.549 ( 0.000 0.000 -4.713) 4.713 11.569 ( 0.000 0.000 -5.894) 5.894 12.081 ( 0.000 0.000 2.638) 2.638 12.232 ( 0.000 0.000 -3.417) 3.417 16.107 ( 0.000 0.000 1.155) 1.155 16.120 ( 0.000 0.000 0.468) 0.468 16.204 ( 0.000 0.000 2.317) 2.317 16.263 ( 0.000 0.000 -0.412) 0.412 22.780 ( 0.000 0.000 -0.318) 0.318 22.781 ( 0.000 0.000 -0.336) 0.336 23.020 ( 0.000 0.000 5.619) 5.619 23.177 ( 0.000 0.000 7.955) 7.955 23.279 ( 0.000 0.000 -6.675) 6.675 23.558 ( 0.000 0.000 5.603) 5.603 23.679 ( 0.000 0.000 -16.199) 16.199 23.850 ( 0.000 0.000 -8.336) 8.336 25.876 ( 0.000 0.000 9.475) 9.475 25.956 ( 0.000 0.000 5.784) 5.784 26.942 ( 0.000 0.000 17.831) 17.831 27.430 ( 0.000 0.000 -6.637) 6.637 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 3.807 0.000 1.623) 4.138 2.087 ( -2.613 0.000 -8.371) 8.769 2.151 ( -3.185 0.000 0.817) 3.289 2.199 ( -2.710 0.000 7.511) 7.985 2.515 ( 3.045 0.000 4.039) 5.059 2.609 ( 1.488 0.000 -12.623) 12.710 2.742 ( -5.870 0.000 -0.058) 5.870 2.825 ( -0.423 0.000 5.419) 5.436 2.859 ( -3.395 0.000 15.571) 15.937 3.136 ( -9.716 0.000 11.477) 15.038 3.282 ( 14.192 0.000 -16.985) 22.134 3.472 ( 7.278 0.000 0.165) 7.279 3.639 ( -0.146 0.000 -16.162) 16.162 3.743 ( -1.225 0.000 -16.000) 16.047 4.042 ( 5.264 0.000 12.656) 13.707 4.153 ( 10.664 0.000 2.605) 10.978 4.224 ( 1.792 0.000 0.869) 1.992 4.367 ( 0.901 0.000 7.269) 7.325 4.421 ( -2.386 0.000 -2.060) 3.152 4.767 ( -13.069 0.000 3.899) 13.638 4.855 ( -0.151 0.000 1.348) 1.356 4.901 ( -0.173 0.000 1.338) 1.349 4.959 ( -7.308 0.000 7.933) 10.786 5.108 ( -7.748 0.000 1.361) 7.866 5.313 ( 0.917 0.000 1.571) 1.819 5.340 ( -2.602 0.000 -4.536) 5.229 5.450 ( -5.790 0.000 -7.994) 9.870 5.464 ( -4.824 0.000 -4.438) 6.555 5.733 ( 8.371 0.000 6.419) 10.549 5.755 ( 5.565 0.000 -1.740) 5.830 5.802 ( 3.711 0.000 -2.723) 4.603 5.868 ( 11.174 0.000 0.307) 11.178 6.098 ( -0.048 0.000 4.450) 4.451 6.138 ( 0.564 0.000 1.634) 1.728 6.180 ( -0.556 0.000 1.237) 1.356 6.222 ( 7.898 0.000 0.136) 7.900 6.312 ( -0.624 0.000 -0.812) 1.024 6.320 ( -0.787 0.000 -1.740) 1.909 6.386 ( -0.108 0.000 -6.921) 6.922 6.488 ( 1.206 0.000 -6.697) 6.805 6.637 ( -3.784 0.000 1.713) 4.154 6.861 ( 2.978 0.000 -7.756) 8.308 7.170 ( -6.987 0.000 -0.934) 7.049 7.344 ( -11.328 0.000 -8.037) 13.889 7.373 ( 0.186 0.000 2.651) 2.657 7.387 ( -0.170 0.000 1.575) 1.584 8.126 ( 6.084 0.000 3.810) 7.179 8.284 ( 2.000 0.000 -3.794) 4.289 8.768 ( 0.145 0.000 7.118) 7.119 8.790 ( -0.351 0.000 6.668) 6.677 9.019 ( 0.906 0.000 4.953) 5.035 9.040 ( 0.181 0.000 -0.040) 0.185 9.057 ( -0.215 0.000 0.099) 0.237 9.068 ( 0.048 0.000 2.462) 2.462 9.582 ( -0.592 0.000 -1.546) 1.656 9.604 ( -0.178 0.000 -2.965) 2.970 10.699 ( 0.180 0.000 -0.657) 0.681 10.708 ( -0.029 0.000 -0.955) 0.955 10.796 ( 1.038 0.000 0.461) 1.136 10.867 ( -0.493 0.000 -3.326) 3.363 11.239 ( -0.366 0.000 1.375) 1.423 11.303 ( -1.768 0.000 -1.851) 2.560 11.398 ( 0.281 0.000 -0.223) 0.359 11.422 ( -0.302 0.000 -1.238) 1.274 11.562 ( 1.303 0.000 -4.819) 4.992 11.581 ( 1.110 0.000 -5.709) 5.816 12.082 ( 0.237 0.000 2.511) 2.522 12.205 ( -2.738 0.000 -2.343) 3.604 16.107 ( -0.003 0.000 1.188) 1.188 16.119 ( -0.175 0.000 0.652) 0.675 16.209 ( 0.606 0.000 1.901) 1.996 16.258 ( -0.579 0.000 -0.254) 0.632 22.779 ( 2.840 0.000 2.018) 3.484 22.896 ( 8.558 0.000 -3.549) 9.265 23.037 ( 1.804 0.000 5.097) 5.407 23.146 ( -2.669 0.000 6.956) 7.450 23.236 ( -3.969 0.000 -3.368) 5.206 23.604 ( 4.297 0.000 2.140) 4.801 23.609 ( -7.462 0.000 -15.247) 16.976 23.830 ( -2.155 0.000 -7.655) 7.953 25.876 ( 0.035 0.000 9.308) 9.308 25.937 ( -1.801 0.000 6.581) 6.823 26.995 ( 5.474 0.000 15.377) 16.322 27.386 ( -4.646 0.000 -4.079) 6.183 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 5.539 0.000 -1.182) 5.664 2.018 ( -4.820 0.000 -4.932) 6.896 2.109 ( -0.702 0.000 -4.856) 4.907 2.135 ( -3.275 0.000 -1.630) 3.658 2.580 ( 3.494 0.000 -4.388) 5.609 2.623 ( -0.716 0.000 -11.184) 11.207 2.709 ( 1.849 0.000 11.528) 11.675 2.779 ( -4.898 0.000 17.837) 18.498 2.848 ( 3.868 0.000 11.507) 12.139 2.967 ( -8.459 0.000 13.131) 15.620 3.523 ( 11.522 0.000 -18.186) 21.528 3.577 ( 4.167 0.000 -7.401) 8.493 3.627 ( -1.432 0.000 -13.218) 13.296 3.685 ( -5.879 0.000 -17.470) 18.433 4.195 ( 11.172 0.000 9.297) 14.534 4.277 ( 3.932 0.000 2.426) 4.621 4.347 ( 5.217 0.000 9.660) 10.979 4.357 ( -4.366 0.000 1.423) 4.592 4.383 ( 1.426 0.000 2.763) 3.110 4.520 ( -11.590 0.000 11.292) 16.181 4.841 ( -2.024 0.000 6.658) 6.958 4.863 ( 1.068 0.000 2.016) 2.281 4.887 ( -1.293 0.000 2.206) 2.557 4.932 ( -9.965 0.000 -0.364) 9.972 5.315 ( 0.368 0.000 -8.281) 8.289 5.343 ( 2.248 0.000 -3.855) 4.463 5.356 ( -4.013 0.000 -9.368) 10.192 5.393 ( -3.174 0.000 -5.097) 6.004 5.839 ( 3.064 0.000 -1.256) 3.312 5.855 ( 1.348 0.000 -1.677) 2.152 5.912 ( 10.118 0.000 8.203) 13.025 6.045 ( -0.274 0.000 4.921) 4.928 6.095 ( 5.897 0.000 5.546) 8.095 6.152 ( 0.881 0.000 0.967) 1.308 6.168 ( -0.798 0.000 0.847) 1.163 6.232 ( -5.547 0.000 2.509) 6.088 6.301 ( -0.334 0.000 -0.537) 0.632 6.305 ( -0.714 0.000 -0.959) 1.196 6.426 ( 2.215 0.000 -3.902) 4.487 6.471 ( -2.629 0.000 -4.896) 5.557 6.704 ( 11.362 0.000 -2.373) 11.607 6.893 ( -3.264 0.000 -8.798) 9.384 7.034 ( -3.507 0.000 -5.089) 6.181 7.129 ( -10.276 0.000 -10.005) 14.342 7.377 ( 0.300 0.000 2.322) 2.341 7.383 ( -0.290 0.000 1.910) 1.932 8.236 ( 5.137 0.000 2.012) 5.517 8.296 ( -1.211 0.000 -0.897) 1.507 8.773 ( 0.395 0.000 6.830) 6.842 8.782 ( -0.525 0.000 6.649) 6.670 9.042 ( 1.397 0.000 4.082) 4.315 9.045 ( 0.335 0.000 0.112) 0.353 9.052 ( -0.352 0.000 0.158) 0.386 9.063 ( -0.713 0.000 3.062) 3.144 9.580 ( 0.377 0.000 -2.301) 2.332 9.593 ( -0.883 0.000 -3.005) 3.132 10.703 ( 0.226 0.000 -0.721) 0.755 10.706 ( -0.133 0.000 -0.837) 0.848 10.822 ( 1.686 0.000 -0.471) 1.751 10.851 ( -1.285 0.000 -1.996) 2.374 11.239 ( 0.689 0.000 0.235) 0.728 11.266 ( -2.030 0.000 -1.113) 2.315 11.405 ( 0.469 0.000 -0.555) 0.726 11.414 ( -0.482 0.000 -0.943) 1.059 11.588 ( 1.221 0.000 -5.056) 5.201 11.597 ( 0.305 0.000 -5.404) 5.413 12.098 ( 1.709 0.000 1.778) 2.466 12.146 ( -3.308 0.000 -0.062) 3.309 16.108 ( 0.209 0.000 1.176) 1.194 16.114 ( -0.327 0.000 0.986) 1.038 16.224 ( 0.996 0.000 1.022) 1.427 16.243 ( -0.967 0.000 0.232) 0.995 22.867 ( 6.172 0.000 3.554) 7.123 22.972 ( -3.523 0.000 2.472) 4.303 23.085 ( 3.372 0.000 3.508) 4.866 23.157 ( -4.372 0.000 0.748) 4.436 23.191 ( 10.593 0.000 -5.119) 11.765 23.421 ( -12.476 0.000 -12.185) 17.439 23.692 ( 4.914 0.000 -2.384) 5.462 23.774 ( -3.928 0.000 -5.653) 6.883 25.881 ( 0.675 0.000 8.814) 8.839 25.903 ( -1.688 0.000 7.907) 8.085 27.124 ( 8.038 0.000 9.435) 12.395 27.270 ( -7.592 0.000 2.189) 7.901 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.000 12.598 1.704) 12.713 2.190 ( 0.000 6.358 -3.247) 7.139 2.241 ( 0.000 5.743 9.594) 11.182 2.279 ( 0.000 6.758 0.824) 6.808 2.524 ( 0.000 4.177 7.074) 8.215 2.632 ( 0.000 3.752 -11.644) 12.233 2.865 ( 0.000 3.510 4.643) 5.820 2.889 ( 0.000 3.999 15.769) 16.268 2.929 ( 0.000 2.956 -11.500) 11.874 3.085 ( 0.000 -0.709 -9.369) 9.396 3.337 ( 0.000 4.011 7.497) 8.503 3.408 ( 0.000 6.553 4.021) 7.688 3.636 ( 0.000 -0.259 -13.060) 13.062 3.754 ( 0.000 -0.084 -18.672) 18.672 3.970 ( 0.000 -2.747 -1.767) 3.267 4.060 ( 0.000 5.721 16.841) 17.786 4.281 ( 0.000 -6.556 3.317) 7.347 4.316 ( 0.000 7.118 -2.561) 7.565 4.508 ( 0.000 5.196 4.065) 6.597 4.798 ( 0.000 -6.575 0.707) 6.612 4.851 ( 0.000 -5.181 1.718) 5.458 4.911 ( 0.000 -5.406 4.660) 7.137 4.953 ( 0.000 -0.009 -10.558) 10.558 5.102 ( 0.000 -6.647 4.195) 7.860 5.296 ( 0.000 0.576 4.506) 4.542 5.443 ( 0.000 5.102 1.757) 5.396 5.505 ( 0.000 -1.933 -0.096) 1.935 5.576 ( 0.000 2.273 -2.670) 3.507 5.633 ( 0.000 0.062 -2.148) 2.148 5.710 ( 0.000 -0.814 -3.454) 3.548 5.730 ( 0.000 3.666 0.687) 3.730 5.873 ( 0.000 8.300 -0.902) 8.349 6.061 ( 0.000 -5.818 1.474) 6.002 6.079 ( 0.000 -0.051 -2.981) 2.981 6.119 ( 0.000 -0.986 2.106) 2.326 6.163 ( 0.000 -2.685 1.900) 3.289 6.265 ( 0.000 -0.225 -1.424) 1.442 6.284 ( 0.000 -2.948 0.087) 2.949 6.491 ( 0.000 1.474 -6.036) 6.214 6.505 ( 0.000 3.081 -5.645) 6.431 6.664 ( 0.000 -3.514 -1.269) 3.736 6.766 ( 0.000 -3.353 -3.131) 4.588 7.239 ( 0.000 -0.084 0.436) 0.444 7.387 ( 0.000 1.610 3.219) 3.599 7.396 ( 0.000 0.302 -3.710) 3.722 7.515 ( 0.000 4.554 -4.001) 6.062 8.017 ( 0.000 -4.032 4.194) 5.818 8.192 ( 0.000 -6.383 -3.381) 7.223 8.759 ( 0.000 -0.595 6.400) 6.428 8.787 ( 0.000 -1.028 5.449) 5.545 8.969 ( 0.000 -4.393 1.024) 4.511 8.989 ( 0.000 -2.319 2.369) 3.315 9.101 ( 0.000 4.008 2.950) 4.977 9.141 ( 0.000 5.090 1.791) 5.396 9.602 ( 0.000 0.886 -0.333) 0.947 9.620 ( 0.000 1.574 -2.617) 3.054 10.698 ( 0.000 0.159 -0.688) 0.706 10.706 ( 0.000 -0.092 -0.858) 0.863 10.811 ( 0.000 2.438 0.431) 2.476 10.884 ( 0.000 1.328 -3.623) 3.859 11.236 ( 0.000 -0.885 1.345) 1.610 11.302 ( 0.000 -1.868 -2.179) 2.870 11.376 ( 0.000 -1.999 -0.463) 2.052 11.385 ( 0.000 -3.306 -1.621) 3.682 11.579 ( 0.000 2.432 -4.260) 4.905 11.590 ( 0.000 2.074 -5.345) 5.734 12.048 ( 0.000 -3.284 1.998) 3.844 12.175 ( 0.000 -5.506 -2.849) 6.199 16.111 ( 0.000 0.397 1.106) 1.175 16.122 ( 0.000 0.263 0.495) 0.560 16.201 ( 0.000 -0.305 2.222) 2.242 16.257 ( 0.000 -0.612 -0.380) 0.720 22.719 ( 0.000 -5.272 -0.474) 5.293 22.721 ( 0.000 -4.601 -0.467) 4.625 23.108 ( 0.000 -3.458 8.256) 8.951 23.157 ( 0.000 12.097 4.093) 12.770 23.428 ( 0.000 -8.461 1.078) 8.529 23.447 ( 0.000 12.696 -7.348) 14.669 23.816 ( 0.000 9.088 -11.256) 14.466 23.877 ( 0.000 2.502 -7.922) 8.308 25.910 ( 0.000 3.617 9.288) 9.968 25.972 ( 0.000 1.764 6.424) 6.662 26.882 ( 0.000 -6.168 17.410) 18.471 27.333 ( 0.000 -9.705 -5.016) 10.925 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 3.121 11.896 1.345) 12.372 2.149 ( -3.735 5.118 -1.408) 6.491 2.186 ( -4.104 3.720 0.741) 5.588 2.275 ( -2.073 8.408 0.470) 8.672 2.563 ( 3.931 4.805 5.480) 8.280 2.641 ( 0.826 3.520 -11.568) 12.120 2.781 ( -5.926 3.746 -2.619) 7.484 2.859 ( -1.099 3.511 6.812) 7.742 2.911 ( -0.544 5.019 15.578) 16.376 3.184 ( -8.289 4.049 10.958) 14.324 3.267 ( 11.204 -0.400 -12.450) 16.754 3.549 ( 8.716 6.485 -1.595) 10.980 3.603 ( -2.326 -1.827 -11.939) 12.300 3.800 ( 2.853 3.911 -18.927) 19.537 4.012 ( 4.353 -4.407 -1.089) 6.289 4.109 ( 4.939 2.702 13.926) 15.021 4.248 ( -2.130 -6.866 4.069) 8.261 4.355 ( 3.521 5.379 -1.801) 6.677 4.501 ( -0.379 5.080 5.520) 7.511 4.712 ( -10.586 -6.143 4.401) 13.007 4.824 ( 0.544 -1.921 0.681) 2.110 4.888 ( -0.664 -1.434 1.106) 1.929 4.962 ( -4.347 0.758 0.633) 4.458 5.014 ( -5.212 -7.522 -0.380) 9.159 5.322 ( 1.121 1.547 0.431) 1.958 5.389 ( -4.234 3.290 -0.684) 5.405 5.467 ( -6.642 2.230 -4.929) 8.567 5.514 ( -2.422 3.509 -4.844) 6.453 5.700 ( 6.959 -3.062 0.845) 7.650 5.705 ( 3.379 -2.865 0.663) 4.479 5.817 ( 4.490 0.398 0.492) 4.534 5.943 ( 6.316 5.453 0.030) 8.344 6.052 ( -0.406 -2.725 2.514) 3.730 6.131 ( 1.471 -2.267 2.007) 3.366 6.156 ( 1.422 -3.620 1.612) 4.210 6.181 ( 3.162 -2.067 -2.752) 4.674 6.265 ( 0.164 -0.042 -0.332) 0.373 6.313 ( 2.952 -0.389 1.408) 3.294 6.461 ( -2.532 1.398 -2.553) 3.858 6.500 ( 1.532 1.307 -6.695) 6.991 6.663 ( -0.529 2.902 -1.366) 3.251 6.788 ( 2.671 -6.316 -6.502) 9.450 7.166 ( -7.315 -0.351 -0.411) 7.335 7.313 ( -9.315 -1.394 -5.016) 10.671 7.401 ( 0.570 2.162 0.956) 2.431 7.463 ( -2.713 5.590 -0.992) 6.292 8.082 ( 5.590 -4.440 3.342) 7.882 8.215 ( 1.707 -6.793 -2.469) 7.426 8.762 ( 0.346 -0.485 6.204) 6.233 8.785 ( -0.221 -0.857 5.427) 5.499 8.973 ( 0.401 -4.261 1.076) 4.413 8.988 ( -0.118 -2.637 2.203) 3.438 9.107 ( 0.698 4.426 2.978) 5.380 9.143 ( 0.076 5.146 1.870) 5.476 9.597 ( -0.354 1.193 -0.695) 1.426 9.619 ( -0.215 1.399 -2.552) 2.918 10.699 ( 0.260 0.107 -0.533) 0.603 10.711 ( 0.368 0.491 -1.002) 1.175 10.818 ( 0.798 2.165 0.184) 2.314 10.881 ( -0.417 1.408 -3.232) 3.550 11.229 ( -0.517 -1.055 1.149) 1.643 11.287 ( -1.564 -1.593 -1.814) 2.876 11.371 ( -0.197 -2.783 -0.933) 2.942 11.386 ( -0.132 -2.932 -1.593) 3.340 11.588 ( 1.109 2.246 -4.321) 4.994 11.606 ( 1.302 2.263 -5.034) 5.671 12.047 ( 0.004 -3.478 1.887) 3.957 12.151 ( -2.476 -5.263 -2.009) 6.154 16.110 ( 0.023 0.421 1.135) 1.211 16.121 ( -0.132 0.308 0.655) 0.735 16.206 ( 0.578 -0.332 1.833) 1.950 16.252 ( -0.548 -0.581 -0.224) 0.829 22.711 ( 2.335 -5.028 2.457) 6.064 22.833 ( 7.917 -5.212 -3.172) 9.995 23.066 ( -3.119 -3.346 7.362) 8.667 23.188 ( 2.696 11.785 3.423) 12.565 23.365 ( -4.602 1.791 -0.011) 4.939 23.463 ( -1.185 1.783 -8.752) 9.010 23.793 ( -1.566 9.433 -8.586) 12.851 23.866 ( -1.318 3.289 -7.482) 8.278 25.908 ( -0.133 3.458 9.190) 9.820 25.956 ( -1.589 1.989 7.111) 7.553 26.931 ( 5.127 -6.503 15.120) 17.239 27.293 ( -4.255 -9.337 -2.717) 10.615 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 3.712 9.631 0.956) 10.366 2.083 ( -3.055 5.112 -0.660) 5.992 2.138 ( 0.134 3.392 -5.969) 6.867 2.201 ( -5.197 7.568 -5.197) 10.549 2.637 ( 2.714 5.553 -4.827) 7.842 2.654 ( 0.332 3.152 -10.738) 11.196 2.741 ( 2.005 3.705 10.142) 10.982 2.818 ( -4.238 4.342 15.154) 16.323 2.924 ( 3.288 6.925 13.915) 15.886 3.028 ( -7.591 5.868 13.757) 16.773 3.455 ( 7.832 -2.904 -12.250) 14.827 3.552 ( -3.436 -3.109 -12.510) 13.341 3.701 ( 7.555 7.945 -9.307) 14.381 3.805 ( -2.998 7.637 -16.890) 18.777 4.101 ( 4.631 -7.811 0.368) 9.088 4.164 ( -1.593 -8.862 5.682) 10.647 4.280 ( 8.096 -0.493 9.509) 12.498 4.434 ( 2.122 1.135 -1.168) 2.675 4.491 ( -5.678 5.071 7.469) 10.665 4.507 ( -4.407 0.544 8.900) 9.947 4.846 ( 0.781 -1.569 1.921) 2.600 4.858 ( -2.501 1.684 4.269) 5.226 4.872 ( -0.895 -0.745 1.409) 1.828 4.926 ( -5.282 -0.935 -1.544) 5.582 5.308 ( -1.502 0.737 -3.656) 4.020 5.317 ( -2.690 0.620 -3.776) 4.677 5.416 ( 1.118 3.978 -6.941) 8.078 5.460 ( -3.133 4.689 -6.980) 8.973 5.794 ( 4.487 -4.450 0.199) 6.323 5.822 ( 3.294 -2.485 -1.040) 4.255 5.886 ( 5.238 -4.687 4.739) 8.477 5.995 ( -3.927 -3.422 1.365) 5.385 6.083 ( 5.686 -1.082 3.807) 6.928 6.145 ( -0.563 -2.587 1.410) 3.000 6.177 ( 1.270 1.103 2.075) 2.671 6.213 ( 0.612 -1.771 1.963) 2.714 6.250 ( -1.713 -1.055 -0.052) 2.012 6.281 ( -4.054 -0.968 2.217) 4.721 6.486 ( 3.733 3.976 -2.786) 6.124 6.552 ( -1.182 5.777 -5.990) 8.405 6.709 ( 9.820 0.358 -1.383) 9.923 6.850 ( 1.293 -4.116 -7.308) 8.487 7.016 ( -6.147 -1.396 -3.419) 7.171 7.099 ( -11.372 -2.230 -7.829) 13.986 7.416 ( 0.954 3.234 0.590) 3.423 7.434 ( -1.058 4.404 -0.009) 4.529 8.178 ( 4.308 -5.772 1.740) 7.410 8.226 ( -0.872 -6.869 -0.403) 6.936 8.770 ( 0.502 -0.332 5.836) 5.867 8.779 ( -0.410 -0.504 5.540) 5.578 8.980 ( 0.363 -3.904 1.314) 4.135 8.985 ( -0.181 -3.332 1.764) 3.775 9.124 ( 1.044 5.053 2.753) 5.848 9.140 ( -0.520 5.230 2.230) 5.709 9.597 ( 0.422 1.412 -1.463) 2.077 9.609 ( -0.800 1.400 -2.288) 2.799 10.707 ( 0.507 0.554 -0.569) 0.942 10.714 ( -0.122 0.921 -0.852) 1.261 10.840 ( 1.507 1.708 -0.724) 2.390 10.866 ( -1.211 1.517 -2.109) 2.866 11.227 ( 0.589 -1.270 0.334) 1.439 11.252 ( -1.935 -1.367 -0.879) 2.527 11.372 ( 0.304 -3.141 -1.427) 3.463 11.380 ( -0.481 -3.063 -1.668) 3.521 11.613 ( 1.281 2.225 -4.357) 5.057 11.624 ( 0.273 2.308 -4.697) 5.240 12.057 ( 1.325 -4.009 1.274) 4.411 12.098 ( -2.918 -4.678 -0.213) 5.518 16.112 ( 0.210 0.443 1.123) 1.225 16.117 ( -0.287 0.397 0.951) 1.070 16.221 ( 0.948 -0.406 1.001) 1.438 16.238 ( -0.918 -0.501 0.246) 1.074 22.790 ( 5.734 -5.035 4.663) 8.943 22.891 ( -3.826 -4.835 4.038) 7.370 23.101 ( 8.611 -5.347 -1.853) 10.305 23.240 ( -0.998 5.509 1.655) 5.838 23.280 ( -0.893 5.819 -2.914) 6.568 23.380 ( -7.066 5.401 -9.822) 13.250 23.792 ( 1.473 7.775 -5.476) 9.623 23.831 ( -2.332 5.064 -6.189) 8.330 25.909 ( 0.406 3.042 8.872) 9.388 25.926 ( -1.396 2.500 8.202) 8.687 27.051 ( 7.480 -7.358 9.610) 14.228 27.187 ( -7.007 -8.424 2.963) 11.351 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.000 10.917 -1.051) 10.968 2.301 ( 0.000 5.340 -1.182) 5.469 2.435 ( 0.000 14.705 8.905) 17.192 2.455 ( 0.000 9.727 0.565) 9.743 2.646 ( 0.000 8.234 6.885) 10.733 2.716 ( 0.000 4.537 -8.443) 9.585 2.953 ( 0.000 3.727 2.609) 4.549 2.995 ( 0.000 6.447 8.564) 10.720 3.007 ( 0.000 6.379 -4.020) 7.540 3.055 ( 0.000 -2.312 2.916) 3.721 3.414 ( 0.000 3.316 6.468) 7.268 3.546 ( 0.000 6.935 1.745) 7.151 3.641 ( 0.000 1.440 -4.264) 4.501 3.755 ( 0.000 0.511 -17.750) 17.757 3.976 ( 0.000 2.893 -9.993) 10.403 4.114 ( 0.000 -7.969 5.684) 9.789 4.213 ( 0.000 6.616 4.073) 7.769 4.407 ( 0.000 1.799 -2.554) 3.124 4.585 ( 0.000 -1.150 11.890) 11.945 4.618 ( 0.000 -10.769 -2.869) 11.145 4.756 ( 0.000 -3.721 -3.674) 5.230 4.833 ( 0.000 1.881 2.850) 3.415 4.862 ( 0.000 -7.899 -6.910) 10.495 5.125 ( 0.000 7.212 -1.683) 7.406 5.325 ( 0.000 2.168 0.616) 2.254 5.456 ( 0.000 -3.025 -0.620) 3.088 5.516 ( 0.000 1.829 3.437) 3.894 5.602 ( 0.000 1.038 -0.713) 1.259 5.661 ( 0.000 2.525 -3.806) 4.567 5.702 ( 0.000 -0.649 -1.909) 2.016 5.795 ( 0.000 2.621 4.862) 5.523 5.970 ( 0.000 -1.868 3.029) 3.559 5.978 ( 0.000 1.697 5.021) 5.300 6.090 ( 0.000 -1.151 -2.286) 2.559 6.114 ( 0.000 -2.106 1.357) 2.505 6.154 ( 0.000 6.014 -6.372) 8.762 6.218 ( 0.000 -2.541 3.159) 4.054 6.289 ( 0.000 1.771 -1.536) 2.345 6.444 ( 0.000 -7.165 -1.147) 7.256 6.487 ( 0.000 -2.313 -2.443) 3.364 6.586 ( 0.000 -4.102 -3.911) 5.667 6.763 ( 0.000 1.260 -7.320) 7.428 7.234 ( 0.000 -0.486 0.965) 1.080 7.384 ( 0.000 -1.969 -6.233) 6.537 7.432 ( 0.000 3.181 3.587) 4.795 7.606 ( 0.000 4.534 -2.761) 5.308 7.923 ( 0.000 -5.234 2.874) 5.971 8.037 ( 0.000 -9.346 -1.255) 9.429 8.753 ( 0.000 0.060 5.127) 5.128 8.753 ( 0.000 -2.133 4.802) 5.254 8.884 ( 0.000 -4.240 1.923) 4.656 8.922 ( 0.000 -4.639 1.030) 4.752 9.198 ( 0.000 5.853 4.149) 7.174 9.248 ( 0.000 5.794 1.845) 6.081 9.619 ( 0.000 0.642 1.113) 1.284 9.645 ( 0.000 0.710 -1.330) 1.507 10.708 ( 0.000 0.972 -0.888) 1.317 10.709 ( 0.000 0.600 -0.720) 0.937 10.874 ( 0.000 4.073 -0.353) 4.088 10.919 ( 0.000 2.189 -3.220) 3.894 11.209 ( 0.000 -1.824 -0.016) 1.824 11.258 ( 0.000 -2.490 -2.463) 3.502 11.317 ( 0.000 -3.594 -1.360) 3.843 11.323 ( 0.000 -3.371 -0.896) 3.488 11.629 ( 0.000 2.843 -3.686) 4.655 11.642 ( 0.000 3.282 -4.512) 5.579 11.966 ( 0.000 -5.048 0.551) 5.078 12.048 ( 0.000 -7.220 -2.176) 7.541 16.124 ( 0.000 0.994 0.910) 1.348 16.130 ( 0.000 0.565 0.604) 0.827 16.192 ( 0.000 -0.573 1.967) 2.049 16.240 ( 0.000 -1.147 -0.270) 1.178 22.617 ( 0.000 -4.884 -0.002) 4.884 22.633 ( 0.000 -4.357 -0.966) 4.463 23.061 ( 0.000 -1.534 9.073) 9.202 23.278 ( 0.000 -7.135 2.692) 7.626 23.422 ( 0.000 14.569 1.489) 14.644 23.700 ( 0.000 12.870 -9.721) 16.128 23.929 ( 0.000 2.526 -7.281) 7.706 23.976 ( 0.000 7.198 -12.010) 14.001 26.016 ( 0.000 7.577 8.646) 11.496 26.027 ( 0.000 4.111 8.175) 9.151 26.720 ( 0.000 -10.331 16.291) 19.291 27.084 ( 0.000 -15.628 -1.339) 15.686 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -0.234 8.325 -0.538) 8.345 2.258 ( -3.148 5.612 -3.505) 7.327 2.322 ( -6.730 11.065 4.124) 13.592 2.475 ( -2.725 10.839 -1.469) 11.272 2.673 ( 2.274 5.796 3.450) 7.119 2.757 ( 4.290 8.932 -2.494) 10.218 2.862 ( -5.118 4.100 -3.910) 7.635 2.966 ( 0.187 7.626 7.866) 10.957 3.027 ( 1.398 6.532 14.176) 15.671 3.213 ( 7.162 -1.052 0.288) 7.244 3.315 ( -4.264 4.338 5.529) 8.220 3.600 ( -3.169 1.916 -9.117) 9.841 3.673 ( 9.114 5.486 1.500) 10.743 3.830 ( 6.091 -0.819 -15.502) 16.676 3.992 ( 1.424 2.365 -10.150) 10.519 4.066 ( -4.676 -7.932 6.080) 11.034 4.229 ( 2.013 5.395 3.933) 6.973 4.407 ( -0.219 -0.277 -4.452) 4.466 4.541 ( -3.944 -8.596 5.656) 11.019 4.581 ( -1.863 -0.645 3.729) 4.218 4.817 ( 1.822 -5.830 -3.729) 7.156 4.842 ( 2.882 5.765 3.776) 7.470 4.869 ( 0.421 -6.061 -3.852) 7.194 5.051 ( -5.940 7.660 -0.910) 9.736 5.370 ( 1.676 2.992 0.059) 3.430 5.431 ( -1.720 0.965 0.852) 2.148 5.518 ( -4.433 2.035 -2.888) 5.668 5.558 ( -0.500 0.474 -2.648) 2.736 5.635 ( 1.666 -2.111 -0.263) 2.703 5.692 ( -0.644 0.748 -0.121) 0.994 5.788 ( -0.800 -2.341 3.368) 4.179 5.997 ( 2.889 0.668 2.990) 4.211 6.047 ( 0.286 -3.857 1.619) 4.193 6.068 ( -0.206 1.035 0.555) 1.192 6.129 ( 1.966 0.272 0.022) 1.985 6.147 ( 0.597 -0.749 -1.812) 2.050 6.280 ( 1.616 -0.773 2.795) 3.319 6.299 ( 2.487 0.952 0.632) 2.737 6.452 ( 2.820 -0.203 -1.877) 3.394 6.501 ( 3.373 -2.489 -4.977) 6.507 6.646 ( 5.497 -5.441 -4.201) 8.802 6.741 ( -2.315 1.960 -5.306) 6.112 7.158 ( -7.834 -0.531 0.586) 7.874 7.287 ( -9.938 -1.813 -4.919) 11.236 7.446 ( 1.329 2.700 1.084) 3.199 7.567 ( -2.863 5.070 -2.405) 6.300 7.973 ( 4.003 -6.418 1.723) 7.758 8.048 ( 0.918 -10.063 -0.926) 10.148 8.754 ( 0.301 -0.951 4.780) 4.883 8.759 ( 0.331 -0.849 4.840) 4.925 8.891 ( 0.650 -4.171 1.947) 4.649 8.921 ( -0.136 -4.314 1.303) 4.508 9.211 ( 1.334 6.209 3.872) 7.439 9.254 ( 0.437 6.169 1.948) 6.484 9.615 ( -0.257 0.492 0.940) 1.092 9.642 ( -0.443 0.493 -1.173) 1.347 10.709 ( 0.733 1.092 -0.404) 1.376 10.730 ( 1.414 1.514 -1.294) 2.443 10.873 ( -0.081 3.384 -0.425) 3.412 10.917 ( -0.285 2.319 -2.964) 3.774 11.199 ( -0.806 -1.945 0.124) 2.109 11.249 ( -1.109 -2.183 -1.727) 2.996 11.303 ( -0.764 -3.894 -1.683) 4.311 11.324 ( -0.356 -3.591 -1.652) 3.969 11.638 ( 1.022 2.924 -3.593) 4.744 11.656 ( 1.178 2.898 -4.301) 5.318 11.962 ( -0.354 -5.137 0.473) 5.171 12.029 ( -1.896 -6.888 -1.753) 7.356 16.124 ( 0.040 0.973 0.951) 1.361 16.131 ( -0.008 0.663 0.691) 0.958 16.197 ( 0.496 -0.627 1.650) 1.833 16.236 ( -0.457 -1.089 -0.128) 1.188 22.625 ( 2.920 -3.666 2.344) 5.241 22.730 ( 7.842 -5.274 -2.369) 9.743 23.011 ( -4.723 -1.981 8.450) 9.881 23.244 ( -3.897 -7.414 1.635) 8.534 23.452 ( 3.084 14.370 -0.094) 14.697 23.676 ( -2.640 12.867 -9.452) 16.183 23.926 ( -0.233 3.352 -7.248) 7.989 23.960 ( -1.432 6.829 -10.326) 12.462 26.010 ( -0.597 7.108 8.764) 11.300 26.018 ( -0.864 4.833 8.512) 9.826 26.761 ( 4.222 -10.887 14.417) 18.553 27.053 ( -3.344 -15.126 0.389) 15.496 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -0.183 5.311 -0.275) 5.322 2.198 ( -3.961 5.830 -2.130) 7.364 2.278 ( 3.137 9.629 -2.728) 10.488 2.376 ( -6.619 8.339 -4.935) 11.735 2.728 ( 3.261 5.351 -2.011) 6.581 2.778 ( -2.212 7.506 -7.212) 10.642 2.868 ( 4.611 9.977 8.328) 13.790 2.946 ( -3.095 8.877 11.228) 14.644 3.067 ( 3.645 7.047 14.562) 16.583 3.157 ( -5.857 6.670 13.652) 16.284 3.416 ( 7.783 -1.942 -5.649) 9.811 3.530 ( -4.791 0.285 -8.674) 9.913 3.824 ( 7.108 3.761 -0.632) 8.067 3.915 ( -0.042 2.471 -13.925) 14.143 3.985 ( -1.300 -7.965 3.919) 8.971 4.006 ( -0.503 -0.010 -9.230) 9.244 4.293 ( 4.873 0.801 2.565) 5.565 4.382 ( -3.583 -4.491 -2.103) 6.117 4.500 ( 0.782 -2.444 2.734) 3.750 4.545 ( -2.620 -1.590 1.636) 3.474 4.834 ( 1.640 1.026 1.093) 2.222 4.869 ( -0.999 1.002 1.983) 2.436 4.893 ( 2.213 2.304 1.549) 3.551 4.951 ( -4.474 4.998 -0.453) 6.724 5.354 ( -1.023 3.861 -0.342) 4.009 5.376 ( -3.474 4.530 -0.564) 5.737 5.489 ( 1.974 3.236 -4.736) 6.067 5.539 ( -2.752 2.943 -5.981) 7.211 5.690 ( 3.996 -5.699 1.578) 7.137 5.746 ( 0.818 -8.174 2.608) 8.619 5.779 ( 4.376 -1.476 -0.742) 4.678 5.924 ( -8.220 -3.805 -3.749) 9.803 6.050 ( 1.729 -2.381 3.362) 4.468 6.077 ( -1.206 -3.747 2.772) 4.814 6.183 ( 2.801 -1.029 1.241) 3.232 6.202 ( 3.257 -0.545 1.642) 3.688 6.260 ( -0.838 2.396 2.925) 3.873 6.298 ( -2.716 2.859 3.237) 5.102 6.542 ( 6.244 1.181 -4.048) 7.535 6.640 ( 0.002 2.985 -8.026) 8.563 6.698 ( 7.650 -2.037 0.555) 7.936 6.773 ( 5.848 -2.532 -1.895) 6.648 6.989 ( -8.210 -1.273 -1.969) 8.538 7.062 ( -12.866 -1.839 -5.530) 14.125 7.479 ( 2.137 3.278 -0.792) 3.992 7.520 ( -2.336 4.374 -2.012) 5.351 8.034 ( 2.321 -8.810 0.395) 9.119 8.057 ( -0.242 -10.352 -0.409) 10.363 8.761 ( 0.349 -0.780 4.603) 4.682 8.763 ( 0.088 -0.592 4.690) 4.728 8.904 ( 0.737 -3.967 1.911) 4.464 8.915 ( -0.459 -3.933 1.713) 4.315 9.239 ( 1.451 6.810 3.159) 7.646 9.256 ( -0.323 6.809 2.384) 7.221 9.616 ( 0.410 0.171 0.329) 0.553 9.629 ( -0.877 0.165 -0.588) 1.069 10.731 ( 1.383 2.092 -0.468) 2.551 10.746 ( 0.028 2.612 -1.105) 2.836 10.879 ( 0.978 2.132 -1.120) 2.599 10.903 ( -1.266 2.177 -2.270) 3.390 11.194 ( 0.502 -2.086 0.183) 2.153 11.218 ( -1.936 -2.029 -0.373) 2.830 11.300 ( 0.373 -4.106 -2.588) 4.868 11.312 ( -0.814 -3.869 -2.408) 4.630 11.661 ( 1.219 2.714 -3.539) 4.623 11.672 ( 0.222 2.632 -3.906) 4.715 11.962 ( 0.656 -5.494 0.066) 5.533 11.989 ( -2.135 -6.152 -0.815) 6.562 16.126 ( 0.171 0.935 0.971) 1.359 16.129 ( -0.163 0.824 0.873) 1.211 16.209 ( 0.812 -0.766 0.950) 1.466 16.224 ( -0.777 -0.942 0.293) 1.255 22.716 ( 6.508 -2.518 5.037) 8.606 22.825 ( -2.623 -2.159 4.288) 5.470 22.975 ( 5.820 -6.798 0.021) 8.949 23.131 ( -8.289 -7.832 -1.091) 11.456 23.524 ( 4.496 14.079 -3.589) 15.209 23.608 ( -4.499 13.424 -7.436) 15.992 23.925 ( 0.177 4.883 -7.103) 8.622 23.936 ( -1.025 5.739 -7.717) 9.671 26.000 ( -0.273 6.353 8.975) 11.000 26.003 ( -0.569 5.975 8.889) 10.725 26.859 ( 6.084 -12.246 9.970) 16.923 26.969 ( -5.600 -13.839 4.737) 15.663 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 0.000 6.425 -4.342) 7.754 2.388 ( 0.000 3.430 -6.179) 7.067 2.620 ( 0.000 7.488 2.650) 7.943 2.710 ( 0.000 10.259 -0.479) 10.270 2.798 ( 0.000 4.635 1.148) 4.775 2.814 ( 0.000 8.704 10.742) 13.826 2.965 ( 0.000 -1.867 2.897) 3.447 2.979 ( 0.000 -3.311 10.897) 11.389 3.138 ( 0.000 5.882 8.107) 10.016 3.146 ( 0.000 5.538 5.070) 7.508 3.460 ( 0.000 2.918 10.249) 10.656 3.668 ( 0.000 6.130 -0.994) 6.210 3.711 ( 0.000 5.674 -5.053) 7.598 3.757 ( 0.000 -1.686 -16.367) 16.454 3.948 ( 0.000 -6.977 4.915) 8.534 4.020 ( 0.000 -0.647 -15.348) 15.362 4.330 ( 0.000 3.417 -4.500) 5.650 4.346 ( 0.000 -6.289 4.174) 7.548 4.491 ( 0.000 -4.148 4.102) 5.834 4.506 ( 0.000 -0.442 -11.566) 11.574 4.651 ( 0.000 -5.463 -10.169) 11.543 4.705 ( 0.000 -8.043 -8.632) 11.798 5.058 ( 0.000 16.559 13.874) 21.603 5.276 ( 0.000 7.059 2.844) 7.610 5.362 ( 0.000 1.415 -2.905) 3.231 5.403 ( 0.000 -2.138 -2.393) 3.208 5.507 ( 0.000 -2.339 3.250) 4.004 5.618 ( 0.000 -2.983 3.109) 4.308 5.671 ( 0.000 0.540 -2.119) 2.187 5.718 ( 0.000 3.721 -3.859) 5.361 5.830 ( 0.000 0.615 7.184) 7.210 5.979 ( 0.000 1.131 5.176) 5.298 5.997 ( 0.000 0.207 7.518) 7.521 6.012 ( 0.000 -6.800 0.690) 6.835 6.117 ( 0.000 3.589 0.137) 3.592 6.148 ( 0.000 -0.224 -0.658) 0.695 6.281 ( 0.000 -4.089 -3.898) 5.649 6.328 ( 0.000 4.660 -3.057) 5.573 6.357 ( 0.000 0.638 0.944) 1.140 6.442 ( 0.000 1.450 -5.439) 5.629 6.500 ( 0.000 -5.367 -3.558) 6.439 6.742 ( 0.000 -4.345 -8.964) 9.961 7.227 ( 0.000 0.091 0.739) 0.744 7.319 ( 0.000 -4.246 -4.045) 5.864 7.514 ( 0.000 5.550 2.163) 5.957 7.676 ( 0.000 2.192 -3.685) 4.287 7.837 ( 0.000 -3.603 1.022) 3.745 7.861 ( 0.000 -8.163 0.362) 8.171 8.720 ( 0.000 -0.892 4.554) 4.640 8.759 ( 0.000 0.405 3.909) 3.930 8.818 ( 0.000 -2.514 2.841) 3.794 8.825 ( 0.000 -4.940 1.750) 5.241 9.309 ( 0.000 5.261 4.018) 6.620 9.345 ( 0.000 3.894 2.316) 4.531 9.622 ( 0.000 -0.299 2.091) 2.113 9.640 ( 0.000 -1.163 0.554) 1.288 10.728 ( 0.000 1.229 -0.780) 1.455 10.732 ( 0.000 1.307 -1.081) 1.696 10.955 ( 0.000 3.897 -1.707) 4.254 10.963 ( 0.000 2.315 -3.041) 3.822 11.172 ( 0.000 -1.686 -1.212) 2.076 11.214 ( 0.000 -2.105 -1.906) 2.840 11.255 ( 0.000 -3.402 -1.595) 3.757 11.255 ( 0.000 -2.699 -1.189) 2.950 11.691 ( 0.000 3.655 -2.894) 4.662 11.714 ( 0.000 4.200 -3.710) 5.604 11.866 ( 0.000 -5.273 -0.932) 5.355 11.916 ( 0.000 -6.443 -2.361) 6.862 16.144 ( 0.000 0.817 0.831) 1.165 16.148 ( 0.000 1.473 0.574) 1.581 16.179 ( 0.000 -0.726 1.609) 1.766 16.214 ( 0.000 -1.553 -0.058) 1.555 22.546 ( 0.000 -2.410 0.228) 2.421 22.562 ( 0.000 -2.950 -0.751) 3.044 23.050 ( 0.000 0.527 8.389) 8.406 23.160 ( 0.000 -5.169 4.965) 7.167 23.678 ( 0.000 11.570 -1.106) 11.623 23.884 ( 0.000 3.764 -6.860) 7.825 23.981 ( 0.000 4.586 -10.545) 11.499 24.075 ( 0.000 2.850 -13.102) 13.408 26.133 ( 0.000 7.105 10.526) 12.700 26.200 ( 0.000 11.640 7.391) 13.789 26.507 ( 0.000 -11.499 14.719) 18.678 26.767 ( 0.000 -16.983 2.422) 17.155 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -3.066 5.562 -3.420) 7.213 2.353 ( -2.744 3.747 -7.011) 8.410 2.505 ( -7.975 7.011 1.943) 10.795 2.621 ( -8.728 2.727 -6.850) 11.425 2.806 ( 2.274 8.904 13.222) 16.102 2.924 ( 3.007 5.269 2.338) 6.502 2.947 ( 5.491 6.792 6.886) 11.122 3.069 ( 3.359 -0.234 6.043) 6.918 3.146 ( 0.846 5.540 9.767) 11.260 3.208 ( 6.801 1.499 4.260) 8.164 3.383 ( -6.202 3.899 12.101) 14.146 3.633 ( -5.668 -1.671 -4.541) 7.453 3.765 ( 7.147 6.057 -0.010) 9.369 3.827 ( 5.400 1.292 -12.879) 14.024 3.935 ( -0.627 -3.140 -1.127) 3.395 4.045 ( 1.743 -0.155 -12.556) 12.677 4.288 ( -1.540 -0.963 -3.211) 3.689 4.352 ( -5.147 -6.272 -4.767) 9.410 4.404 ( 0.906 -0.361 0.664) 1.180 4.528 ( -3.526 -4.776 -3.215) 6.751 4.717 ( 6.734 -3.104 -8.864) 11.556 4.772 ( 6.729 -4.094 -5.610) 9.670 5.056 ( -0.735 14.165 11.208) 18.078 5.209 ( -5.868 7.731 1.334) 9.797 5.396 ( 1.225 -0.301 -0.493) 1.355 5.436 ( 3.665 -0.918 -1.549) 4.084 5.502 ( -0.555 -3.504 0.521) 3.585 5.565 ( -6.723 0.904 -1.562) 6.961 5.620 ( 0.052 -0.043 2.498) 2.499 5.706 ( -1.626 0.714 -3.161) 3.626 5.796 ( -2.876 2.702 7.110) 8.132 5.983 ( -2.897 -2.774 0.856) 4.101 6.005 ( 0.270 -2.692 2.548) 3.717 6.010 ( 0.554 -2.159 4.605) 5.116 6.132 ( 1.246 1.806 2.434) 3.278 6.201 ( -2.175 2.536 -2.947) 4.455 6.248 ( 5.539 -1.182 3.020) 6.419 6.342 ( 2.691 2.205 -1.830) 3.931 6.413 ( 2.408 -4.602 -1.095) 5.308 6.500 ( 8.082 5.258 -6.107) 11.413 6.549 ( 4.320 -5.367 -3.342) 7.657 6.738 ( -0.290 -2.871 -6.731) 7.323 7.151 ( -7.938 0.149 0.761) 7.976 7.233 ( -9.073 -3.543 -3.496) 10.348 7.518 ( 0.851 5.155 0.869) 5.296 7.652 ( -2.169 3.628 -3.640) 5.579 7.852 ( 0.263 -7.844 -0.238) 7.852 7.858 ( 0.440 -7.308 0.082) 7.321 8.731 ( 1.049 -0.460 4.426) 4.572 8.762 ( 0.222 0.453 3.882) 3.914 8.820 ( 0.500 -3.304 2.734) 4.318 8.836 ( 0.689 -3.912 2.155) 4.519 9.330 ( 2.123 5.739 3.798) 7.202 9.362 ( 1.587 4.677 2.320) 5.456 9.610 ( -1.095 -0.920 2.108) 2.547 9.630 ( -1.082 -1.651 0.717) 2.100 10.741 ( 1.745 2.015 -0.568) 2.726 10.762 ( 2.691 1.524 -1.431) 3.407 10.936 ( -1.626 2.997 -1.406) 3.688 10.965 ( -0.426 2.399 -2.847) 3.747 11.164 ( -0.730 -1.441 -0.958) 1.878 11.207 ( -0.747 -2.277 -1.622) 2.894 11.236 ( -1.297 -2.767 -1.745) 3.519 11.254 ( -0.578 -3.449 -1.921) 3.990 11.699 ( 0.816 3.464 -2.855) 4.562 11.719 ( 0.461 3.712 -3.592) 5.185 11.862 ( -0.284 -5.072 -0.973) 5.172 11.904 ( -1.213 -6.063 -2.173) 6.554 16.144 ( 0.082 0.999 0.852) 1.316 16.149 ( 0.075 1.374 0.604) 1.502 16.183 ( 0.354 -0.836 1.402) 1.670 16.211 ( -0.323 -1.480 0.056) 1.516 22.578 ( 4.351 -1.130 1.697) 4.805 22.640 ( 7.238 -4.019 -1.133) 8.356 22.997 ( -5.507 0.573 7.913) 9.658 23.118 ( -4.595 -5.635 3.884) 8.244 23.704 ( 2.689 11.317 -2.318) 11.861 23.879 ( -0.928 6.380 -8.181) 10.416 23.972 ( -0.617 2.519 -8.825) 9.198 24.054 ( -2.039 2.589 -11.852) 12.302 26.134 ( 0.214 7.813 10.392) 13.003 26.190 ( -1.028 11.396 7.746) 13.818 26.536 ( 3.002 -12.189 13.389) 18.353 26.745 ( -2.380 -16.552 3.581) 17.101 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 0.355 5.666 -3.029) 6.435 2.310 ( -2.714 5.510 -5.812) 8.457 2.401 ( -1.348 2.962 -2.242) 3.952 2.466 ( -7.069 1.056 -6.165) 9.439 2.864 ( 3.566 8.691 9.002) 13.011 2.917 ( -1.770 7.412 3.462) 8.370 3.063 ( 3.787 7.202 4.255) 9.182 3.097 ( -0.243 3.375 6.852) 7.641 3.178 ( 3.684 5.685 12.693) 14.387 3.268 ( -5.338 5.788 13.071) 15.259 3.360 ( 8.114 -3.646 3.814) 9.679 3.507 ( -7.739 -4.084 0.427) 8.761 3.871 ( 3.795 4.174 -0.224) 5.646 3.908 ( 0.147 1.057 -3.949) 4.091 3.962 ( 5.634 2.250 -11.826) 13.292 4.047 ( -2.371 1.314 -11.414) 11.732 4.283 ( 0.659 -1.897 -3.922) 4.406 4.294 ( -0.729 -4.072 -5.593) 6.957 4.408 ( -0.118 -5.998 -1.967) 6.313 4.447 ( -4.288 -7.106 -4.402) 9.395 4.864 ( 9.287 2.492 -4.316) 10.540 4.908 ( 6.921 2.327 -0.794) 7.345 5.014 ( -4.052 8.023 5.257) 10.413 5.067 ( -9.268 6.179 0.710) 11.162 5.411 ( 1.100 1.453 0.089) 1.825 5.451 ( -3.461 1.617 -0.740) 3.891 5.498 ( 2.422 -2.797 -1.497) 3.991 5.519 ( -0.027 -4.949 -2.542) 5.563 5.633 ( 1.869 1.564 2.472) 3.471 5.682 ( -2.482 2.575 1.317) 3.812 5.775 ( 2.653 0.355 2.620) 3.745 5.877 ( -7.122 -1.739 -1.030) 7.403 6.006 ( 0.050 -1.113 1.946) 2.242 6.011 ( -0.361 -2.070 2.847) 3.538 6.145 ( 0.405 -2.902 2.455) 3.823 6.163 ( -1.561 -3.469 1.369) 4.043 6.338 ( 3.594 5.116 1.815) 6.511 6.374 ( -0.318 4.847 0.727) 4.911 6.517 ( 7.571 -3.500 -3.369) 8.996 6.602 ( -0.509 -5.623 -3.530) 6.659 6.706 ( 12.550 2.470 -3.253) 13.198 6.761 ( 4.366 0.293 -1.068) 4.504 6.970 ( -10.010 -0.698 -0.879) 10.073 7.019 ( -13.005 -2.716 -3.794) 13.816 7.551 ( 2.563 4.693 -1.228) 5.487 7.604 ( -2.983 4.644 -2.871) 6.222 7.853 ( 0.427 -10.377 -1.071) 10.441 7.863 ( -0.330 -8.770 -1.367) 8.882 8.752 ( 1.006 0.230 4.240) 4.363 8.763 ( -0.209 0.557 4.047) 4.091 8.833 ( 0.746 -3.439 2.676) 4.420 8.842 ( -0.097 -3.526 2.453) 4.297 9.373 ( 2.059 6.839 3.193) 7.823 9.387 ( 0.629 6.577 2.519) 7.071 9.593 ( -0.358 -2.567 1.929) 3.231 9.604 ( -1.378 -2.747 1.242) 3.315 10.786 ( 2.808 3.468 -0.635) 4.507 10.810 ( 1.344 3.639 -1.576) 4.187 10.908 ( -0.456 0.728 -1.067) 1.370 10.938 ( -2.441 0.971 -2.327) 3.509 11.160 ( 0.568 -1.078 -0.621) 1.368 11.183 ( -1.703 -1.318 -0.574) 2.229 11.225 ( 0.274 -3.545 -3.004) 4.654 11.238 ( -0.984 -3.652 -2.668) 4.629 11.716 ( 0.875 3.034 -2.911) 4.295 11.725 ( -0.011 2.994 -3.257) 4.424 11.861 ( 0.362 -4.858 -1.222) 5.023 11.878 ( -1.361 -5.276 -1.725) 5.716 16.147 ( 0.159 1.184 0.835) 1.458 16.149 ( -0.081 1.293 0.734) 1.489 16.192 ( 0.603 -1.056 0.890) 1.507 16.203 ( -0.566 -1.291 0.387) 1.462 22.696 ( 7.908 0.352 4.098) 8.914 22.790 ( 5.989 -2.579 1.064) 6.607 22.878 ( -4.364 -2.107 4.832) 6.843 22.995 ( -8.610 -6.248 1.491) 10.742 23.767 ( 3.993 10.844 -5.369) 12.742 23.838 ( -3.417 9.998 -8.514) 13.569 23.976 ( 1.248 0.464 -7.288) 7.409 24.011 ( -2.380 1.592 -9.180) 9.616 26.144 ( 0.911 9.299 9.735) 13.494 26.166 ( -1.377 10.620 8.669) 13.778 26.606 ( 4.353 -13.750 10.227) 17.680 26.685 ( -4.009 -15.374 6.555) 17.187 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 0.000 -1.252 -7.478) 7.582 2.413 ( 0.000 1.252 -7.478) 7.582 2.737 ( 0.000 -4.341 -5.247) 6.810 2.737 ( 0.000 4.341 -5.247) 6.810 2.899 ( 0.000 -4.074 8.212) 9.168 2.899 ( 0.000 4.074 8.213) 9.168 2.941 ( 0.000 -2.790 16.615) 16.847 2.941 ( 0.000 2.790 16.615) 16.847 3.187 ( 0.000 -0.152 8.675) 8.677 3.187 ( 0.000 0.152 8.675) 8.677 3.590 ( 0.000 -9.817 2.736) 10.192 3.590 ( 0.000 9.817 2.736) 10.192 3.805 ( 0.000 -0.997 -3.673) 3.806 3.805 ( 0.000 0.997 -3.673) 3.806 3.917 ( 0.000 -6.110 -12.421) 13.842 3.917 ( 0.000 6.110 -12.421) 13.842 4.313 ( 0.000 -2.182 -2.332) 3.193 4.313 ( 0.000 2.182 -2.332) 3.193 4.499 ( 0.000 -1.932 -4.408) 4.813 4.499 ( 0.000 1.932 -4.408) 4.813 4.597 ( 0.000 -1.304 -11.677) 11.749 4.597 ( 0.000 1.304 -11.677) 11.749 5.323 ( 0.000 -5.739 10.467) 11.937 5.323 ( 0.000 5.739 10.467) 11.937 5.387 ( 0.000 -1.132 -1.673) 2.020 5.387 ( 0.000 1.132 -1.673) 2.020 5.480 ( 0.000 -4.002 1.273) 4.200 5.480 ( 0.000 4.002 1.273) 4.200 5.746 ( 0.000 -3.798 -1.052) 3.941 5.746 ( 0.000 3.798 -1.052) 3.941 5.862 ( 0.000 -6.403 3.989) 7.544 5.862 ( 0.000 6.403 3.989) 7.544 6.000 ( 0.000 -0.742 5.928) 5.974 6.000 ( 0.000 0.742 5.928) 5.974 6.168 ( 0.000 -1.240 -0.869) 1.515 6.168 ( 0.000 1.240 -0.869) 1.515 6.278 ( 0.000 -5.460 -1.130) 5.575 6.278 ( 0.000 5.460 -1.130) 5.575 6.402 ( 0.000 -3.808 -1.408) 4.060 6.402 ( 0.000 3.808 -1.408) 4.060 6.597 ( 0.000 -9.962 -9.760) 13.946 6.597 ( 0.000 9.962 -9.760) 13.946 7.250 ( 0.000 -2.528 -0.878) 2.676 7.250 ( 0.000 2.528 -0.878) 2.676 7.635 ( 0.000 -6.270 -1.330) 6.410 7.635 ( 0.000 6.270 -1.330) 6.410 7.790 ( 0.000 -0.885 0.380) 0.963 7.790 ( 0.000 0.885 0.380) 0.963 8.734 ( 0.000 -2.383 2.573) 3.507 8.734 ( 0.000 2.383 2.573) 3.507 8.787 ( 0.000 -0.843 4.055) 4.142 8.787 ( 0.000 0.843 4.055) 4.142 9.376 ( 0.000 -1.133 3.234) 3.427 9.376 ( 0.000 1.133 3.234) 3.427 9.619 ( 0.000 -0.455 1.939) 1.992 9.619 ( 0.000 0.455 1.939) 1.992 10.745 ( 0.000 -0.169 -0.959) 0.974 10.745 ( 0.000 0.169 -0.959) 0.974 10.994 ( 0.000 -0.285 -3.211) 3.223 10.994 ( 0.000 0.285 -3.211) 3.223 11.170 ( 0.000 -1.856 -0.460) 1.912 11.170 ( 0.000 1.856 -0.460) 1.912 11.224 ( 0.000 -0.335 -2.232) 2.257 11.224 ( 0.000 0.335 -2.232) 2.257 11.769 ( 0.000 -4.334 -1.806) 4.695 11.769 ( 0.000 4.334 -1.806) 4.695 11.805 ( 0.000 -4.955 -3.206) 5.902 11.805 ( 0.000 4.955 -3.206) 5.902 16.160 ( 0.000 -0.732 1.067) 1.294 16.160 ( 0.000 0.732 1.067) 1.294 16.183 ( 0.000 -1.566 0.356) 1.606 16.183 ( 0.000 1.566 0.356) 1.606 22.528 ( 0.000 -0.487 -0.141) 0.507 22.528 ( 0.000 0.487 -0.141) 0.507 23.083 ( 0.000 -2.878 6.921) 7.496 23.083 ( 0.000 2.878 6.921) 7.496 23.847 ( 0.000 -5.927 -3.139) 6.707 23.847 ( 0.000 5.927 -3.139) 6.707 24.074 ( 0.000 -3.018 -13.388) 13.724 24.074 ( 0.000 3.018 -13.388) 13.724 26.297 ( 0.000 -9.957 12.820) 16.232 26.297 ( 0.000 9.957 12.820) 16.232 26.457 ( 0.000 -15.072 5.344) 15.991 26.457 ( 0.000 15.072 5.344) 15.991 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -2.914 -1.616 -6.860) 7.627 2.376 ( -2.914 1.616 -6.860) 7.627 2.602 ( -9.709 -3.489 -3.142) 10.784 2.602 ( -9.709 3.489 -3.142) 10.784 2.957 ( 2.730 -4.733 15.333) 16.277 2.957 ( 2.730 4.733 15.333) 16.277 3.026 ( 6.640 -1.763 3.882) 7.891 3.026 ( 6.640 1.763 3.882) 7.891 3.206 ( 2.441 -1.859 10.011) 10.471 3.206 ( 2.441 1.859 10.011) 10.471 3.513 ( -6.396 -8.576 5.080) 11.843 3.513 ( -6.396 8.576 5.080) 11.843 3.872 ( 5.471 -1.237 -7.637) 9.475 3.872 ( 5.471 1.237 -7.637) 9.475 3.948 ( 3.033 -7.552 -9.039) 12.163 3.948 ( 3.033 7.552 -9.039) 12.163 4.278 ( -2.685 -1.660 -4.756) 5.708 4.278 ( -2.685 1.660 -4.756) 5.708 4.439 ( -4.726 -3.505 -5.019) 7.733 4.439 ( -4.726 3.505 -5.019) 7.733 4.713 ( 9.835 -2.034 -7.984) 12.830 4.713 ( 9.835 2.034 -7.984) 12.830 5.271 ( -5.492 -4.900 7.087) 10.217 5.271 ( -5.492 4.900 7.087) 10.217 5.405 ( 1.308 -1.931 -0.835) 2.477 5.405 ( 1.308 1.931 -0.835) 2.477 5.481 ( -0.232 -4.561 0.437) 4.588 5.481 ( -0.232 4.561 0.437) 4.588 5.690 ( -2.490 -3.894 1.093) 4.749 5.690 ( -2.490 3.894 1.093) 4.749 5.865 ( -1.385 -5.695 2.531) 6.384 5.865 ( -1.385 5.695 2.531) 6.384 6.005 ( 0.050 -0.436 5.173) 5.191 6.005 ( 0.050 0.436 5.173) 5.191 6.180 ( -2.875 -2.842 0.787) 4.119 6.180 ( -2.875 2.842 0.787) 4.119 6.293 ( 6.403 -4.477 -1.204) 7.905 6.293 ( 6.403 4.477 -1.204) 7.905 6.442 ( 3.181 -5.161 -1.815) 6.329 6.442 ( 3.181 5.161 -1.815) 6.329 6.633 ( 3.765 -7.446 -7.759) 11.394 6.633 ( 3.765 7.446 -7.759) 11.394 7.173 ( -8.166 -2.281 -0.750) 8.512 7.173 ( -8.166 2.281 -0.750) 8.512 7.638 ( 0.671 -6.426 -1.597) 6.655 7.638 ( 0.671 6.426 -1.597) 6.655 7.770 ( -2.164 -2.549 -0.578) 3.393 7.770 ( -2.164 2.549 -0.578) 3.393 8.747 ( 1.289 -2.034 2.854) 3.734 8.747 ( 1.289 2.034 2.854) 3.734 8.791 ( 0.296 -1.086 3.901) 4.060 8.791 ( 0.296 1.086 3.901) 4.060 9.404 ( 2.890 -1.070 3.128) 4.390 9.404 ( 2.890 1.070 3.128) 4.390 9.600 ( -2.057 -0.617 2.054) 2.972 9.600 ( -2.057 0.617 2.054) 2.972 10.771 ( 2.838 -0.766 -0.971) 3.096 10.771 ( 2.838 0.766 -0.971) 3.096 10.981 ( -1.716 -1.227 -2.689) 3.418 10.981 ( -1.716 1.227 -2.689) 3.418 11.164 ( -0.405 -1.728 -0.942) 2.010 11.164 ( -0.405 1.728 -0.942) 2.010 11.213 ( -1.135 -0.524 -2.227) 2.554 11.213 ( -1.135 0.524 -2.227) 2.554 11.772 ( 0.296 -4.054 -1.899) 4.486 11.772 ( 0.296 4.054 -1.899) 4.486 11.801 ( -0.453 -4.575 -3.022) 5.502 11.801 ( -0.453 4.575 -3.022) 5.502 16.162 ( 0.298 -0.835 0.989) 1.328 16.162 ( 0.298 0.835 0.989) 1.328 16.181 ( -0.183 -1.501 0.415) 1.568 16.181 ( -0.183 1.501 0.415) 1.568 22.584 ( 5.926 -1.683 0.428) 6.175 22.584 ( 5.926 1.683 0.428) 6.175 23.033 ( -5.274 -3.234 6.188) 8.750 23.033 ( -5.274 3.234 6.188) 8.750 23.867 ( 2.134 -5.509 -4.021) 7.146 23.867 ( 2.134 5.509 -4.021) 7.146 24.049 ( -2.580 -3.135 -12.300) 12.953 24.049 ( -2.580 3.135 -12.300) 12.953 26.313 ( 1.628 -10.703 12.082) 16.222 26.313 ( 1.628 10.703 12.082) 16.222 26.442 ( -1.620 -14.748 6.052) 16.023 26.442 ( -1.620 14.748 6.052) 16.023 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 1.535 -2.247 -5.887) 6.486 2.355 ( 1.535 2.247 -5.887) 6.486 2.440 ( -7.367 -2.741 -4.601) 9.108 2.440 ( -7.367 2.741 -4.601) 9.108 3.018 ( 3.735 -4.077 12.186) 13.381 3.018 ( 3.735 4.077 12.186) 13.381 3.072 ( -1.289 -2.488 6.658) 7.224 3.072 ( -1.289 2.488 6.658) 7.224 3.287 ( 5.770 -4.544 8.451) 11.196 3.287 ( 5.770 4.544 8.451) 11.196 3.396 ( -6.125 -6.705 6.789) 11.339 3.396 ( -6.125 6.705 6.789) 11.339 3.964 ( 3.938 -2.692 -8.994) 10.181 3.964 ( 3.938 2.692 -8.994) 10.181 3.996 ( 0.921 -6.683 -6.814) 9.589 3.996 ( 0.921 6.683 -6.814) 9.589 4.261 ( 1.845 -0.418 -6.191) 6.473 4.261 ( 1.845 0.418 -6.191) 6.473 4.341 ( -5.730 -1.592 -5.280) 7.952 4.341 ( -5.730 1.592 -5.280) 7.952 4.916 ( 11.783 -1.828 -3.687) 12.481 4.916 ( 11.783 1.828 -3.687) 12.481 5.123 ( -10.303 -1.980 1.563) 10.607 5.123 ( -10.303 1.980 1.563) 10.607 5.430 ( 1.508 -1.523 -1.324) 2.519 5.430 ( 1.508 1.523 -1.324) 2.519 5.461 ( -1.730 -1.290 -1.180) 2.460 5.461 ( -1.730 1.290 -1.180) 2.460 5.709 ( 3.955 -3.815 4.048) 6.825 5.709 ( 3.955 3.815 4.048) 6.825 5.800 ( -5.138 -5.122 3.702) 8.145 5.800 ( -5.138 5.122 3.702) 8.145 6.026 ( 2.567 -0.100 2.477) 3.569 6.026 ( 2.567 0.100 2.477) 3.569 6.095 ( -4.772 -0.665 0.930) 4.907 6.095 ( -4.772 0.665 0.930) 4.907 6.434 ( 5.947 -4.700 -0.212) 7.583 6.434 ( 5.947 4.700 -0.212) 7.583 6.482 ( 0.361 -6.311 -1.766) 6.564 6.482 ( 0.361 6.311 -1.766) 6.564 6.752 ( 9.963 -1.732 -3.928) 10.849 6.752 ( 9.963 1.732 -3.928) 10.849 6.973 ( -12.799 -1.433 -1.257) 12.941 6.973 ( -12.799 1.433 -1.257) 12.941 7.666 ( 2.357 -6.199 -2.123) 6.964 7.666 ( 2.357 6.199 -2.123) 6.964 7.719 ( -3.160 -4.902 -1.886) 6.129 7.719 ( -3.160 4.902 -1.886) 6.129 8.773 ( 1.359 -1.639 3.292) 3.920 8.773 ( 1.359 1.639 3.292) 3.920 8.791 ( -0.447 -1.401 3.618) 3.906 8.791 ( -0.447 1.401 3.618) 3.906 9.472 ( 4.227 -0.943 2.810) 5.163 9.472 ( 4.227 0.943 2.810) 5.163 9.546 ( -3.707 -0.817 2.384) 4.482 9.546 ( -3.707 0.817 2.384) 4.482 10.842 ( 4.609 -1.402 -1.107) 4.943 10.842 ( 4.609 1.402 -1.107) 4.943 10.926 ( -4.150 -1.735 -1.652) 4.791 10.926 ( -4.150 1.735 -1.652) 4.791 11.166 ( 0.748 -1.560 -1.835) 2.522 11.166 ( 0.748 1.560 -1.835) 2.522 11.188 ( -1.466 -1.091 -2.185) 2.848 11.188 ( -1.466 1.091 -2.185) 2.848 11.779 ( 0.536 -3.628 -2.174) 4.263 11.779 ( 0.536 3.628 -2.174) 4.263 11.790 ( -0.630 -3.846 -2.598) 4.683 11.790 ( -0.630 3.846 -2.598) 4.683 16.169 ( 0.417 -1.069 0.796) 1.397 16.169 ( 0.417 1.069 0.796) 1.397 16.177 ( -0.347 -1.319 0.577) 1.481 16.177 ( -0.347 1.319 0.577) 1.481 22.728 ( 9.295 -2.931 2.045) 9.958 22.728 ( 9.295 2.931 2.045) 9.958 22.900 ( -8.895 -3.489 4.271) 10.466 22.900 ( -8.895 3.489 4.271) 10.466 23.920 ( 3.515 -4.566 -6.401) 8.613 23.920 ( 3.515 4.566 -6.401) 8.613 23.988 ( -3.786 -3.647 -9.555) 10.905 23.988 ( -3.786 3.647 -9.555) 10.905 26.353 ( 2.612 -12.292 10.191) 16.179 26.353 ( 2.612 12.292 10.191) 16.179 26.402 ( -2.610 -13.786 7.899) 16.101 26.402 ( -2.610 13.786 7.899) 16.101 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 0.000 0.000 -8.313) 8.313 1.904 ( 0.000 0.000 8.313) 8.313 2.310 ( 0.000 0.000 -1.452) 1.452 2.310 ( 0.000 0.000 1.452) 1.452 2.464 ( 0.000 0.000 -0.158) 0.158 2.464 ( 0.000 0.000 0.158) 0.158 2.812 ( 0.000 0.000 -6.391) 6.391 2.812 ( 0.000 0.000 6.391) 6.391 3.193 ( 0.000 0.000 -21.247) 21.247 3.193 ( 0.000 0.000 21.247) 21.247 3.322 ( 0.000 0.000 -22.729) 22.729 3.322 ( 0.000 0.000 22.729) 22.729 3.413 ( 0.000 0.000 -1.749) 1.749 3.413 ( 0.000 0.000 1.749) 1.749 4.079 ( 0.000 0.000 -3.664) 3.664 4.079 ( 0.000 0.000 3.664) 3.664 4.299 ( 0.000 0.000 -7.903) 7.903 4.299 ( 0.000 0.000 7.903) 7.903 4.667 ( 0.000 0.000 -16.212) 16.212 4.667 ( 0.000 0.000 16.212) 16.212 4.889 ( 0.000 0.000 -1.489) 1.489 4.889 ( 0.000 0.000 1.489) 1.489 5.204 ( 0.000 0.000 -8.465) 8.465 5.204 ( 0.000 0.000 8.465) 8.465 5.403 ( 0.000 0.000 -4.505) 4.505 5.403 ( 0.000 0.000 4.505) 4.505 5.471 ( 0.000 0.000 -6.484) 6.484 5.471 ( 0.000 0.000 6.484) 6.484 5.677 ( 0.000 0.000 -3.334) 3.334 5.677 ( 0.000 0.000 3.334) 3.334 5.691 ( 0.000 0.000 -2.560) 2.560 5.691 ( 0.000 0.000 2.560) 2.560 6.130 ( 0.000 0.000 -2.718) 2.718 6.130 ( 0.000 0.000 2.718) 2.718 6.175 ( 0.000 0.000 -1.809) 1.809 6.175 ( 0.000 0.000 1.809) 1.809 6.308 ( 0.000 0.000 -0.109) 0.109 6.308 ( 0.000 0.000 0.109) 0.109 6.330 ( 0.000 0.000 -2.492) 2.492 6.330 ( 0.000 0.000 2.492) 2.492 6.757 ( 0.000 0.000 -3.857) 3.857 6.757 ( 0.000 0.000 3.857) 3.857 7.303 ( 0.000 0.000 -6.384) 6.384 7.303 ( 0.000 0.000 6.384) 6.384 7.403 ( 0.000 0.000 -0.318) 0.318 7.403 ( 0.000 0.000 0.318) 0.318 8.156 ( 0.000 0.000 -4.892) 4.892 8.156 ( 0.000 0.000 4.892) 4.892 8.857 ( 0.000 0.000 -0.976) 0.976 8.857 ( 0.000 0.000 0.976) 0.976 9.045 ( 0.000 0.000 -0.936) 0.936 9.045 ( 0.000 0.000 0.936) 0.936 9.077 ( 0.000 0.000 -1.282) 1.282 9.077 ( 0.000 0.000 1.282) 1.282 9.579 ( 0.000 0.000 -0.153) 0.153 9.579 ( 0.000 0.000 0.153) 0.153 10.693 ( 0.000 0.000 -0.304) 0.304 10.693 ( 0.000 0.000 0.304) 0.304 10.813 ( 0.000 0.000 -1.956) 1.956 10.813 ( 0.000 0.000 1.956) 1.956 11.283 ( 0.000 0.000 -1.960) 1.960 11.283 ( 0.000 0.000 1.960) 1.960 11.402 ( 0.000 0.000 -0.751) 0.751 11.402 ( 0.000 0.000 0.751) 0.751 11.501 ( 0.000 0.000 -0.375) 0.375 11.501 ( 0.000 0.000 0.375) 0.375 12.154 ( 0.000 0.000 -4.013) 4.013 12.154 ( 0.000 0.000 4.013) 4.013 16.122 ( 0.000 0.000 -0.300) 0.300 16.122 ( 0.000 0.000 0.300) 0.300 16.243 ( 0.000 0.000 -1.497) 1.497 16.243 ( 0.000 0.000 1.497) 1.497 22.777 ( 0.000 0.000 -0.039) 0.039 22.777 ( 0.000 0.000 0.039) 0.039 23.144 ( 0.000 0.000 -6.416) 6.416 23.144 ( 0.000 0.000 6.416) 6.416 23.385 ( 0.000 0.000 -12.364) 12.364 23.385 ( 0.000 0.000 12.364) 12.364 23.690 ( 0.000 0.000 -7.235) 7.235 23.690 ( 0.000 0.000 7.235) 7.235 25.996 ( 0.000 0.000 -2.019) 2.019 25.996 ( 0.000 0.000 2.019) 2.019 27.244 ( 0.000 0.000 -11.753) 11.753 27.244 ( 0.000 0.000 11.753) 11.753 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.783 0.000 -6.743) 6.788 1.912 ( 0.783 0.000 6.743) 6.788 2.193 ( -9.613 0.000 -3.910) 10.378 2.193 ( -9.613 0.000 3.910) 10.378 2.474 ( 0.965 0.000 -0.846) 1.283 2.474 ( 0.965 0.000 0.846) 1.283 2.921 ( 9.216 0.000 -16.454) 18.859 2.921 ( 9.216 0.000 16.454) 18.859 3.183 ( -1.058 0.000 -17.643) 17.674 3.183 ( -1.058 0.000 17.643) 17.674 3.315 ( -1.470 0.000 -23.577) 23.622 3.315 ( -1.470 0.000 23.577) 23.622 3.407 ( -0.548 0.000 -4.221) 4.256 3.407 ( -0.548 0.000 4.221) 4.256 4.144 ( 7.232 0.000 -4.493) 8.514 4.144 ( 7.232 0.000 4.493) 8.514 4.316 ( 1.616 0.000 -6.716) 6.908 4.316 ( 1.616 0.000 6.716) 6.908 4.646 ( -2.514 0.000 -12.923) 13.165 4.646 ( -2.514 0.000 12.923) 13.165 4.895 ( 0.552 0.000 -1.725) 1.811 4.895 ( 0.552 0.000 1.725) 1.811 5.110 ( -9.443 0.000 -5.430) 10.893 5.110 ( -9.443 0.000 5.430) 10.893 5.327 ( -6.256 0.000 -3.316) 7.080 5.327 ( -6.256 0.000 3.316) 7.080 5.370 ( -5.211 0.000 -4.174) 6.677 5.370 ( -5.211 0.000 4.174) 6.677 5.755 ( 5.139 0.000 -1.497) 5.353 5.755 ( 5.139 0.000 1.497) 5.353 5.842 ( 12.382 0.000 -3.467) 12.858 5.842 ( 12.382 0.000 3.467) 12.858 6.174 ( -0.109 0.000 -1.454) 1.458 6.174 ( -0.109 0.000 1.454) 1.458 6.205 ( 6.474 0.000 -4.854) 8.091 6.205 ( 6.474 0.000 4.854) 8.091 6.303 ( -0.535 0.000 -0.060) 0.539 6.303 ( -0.535 0.000 0.060) 0.539 6.335 ( 0.446 0.000 -5.174) 5.193 6.335 ( 0.446 0.000 5.174) 5.193 6.725 ( -2.606 0.000 -5.944) 6.490 6.725 ( -2.606 0.000 5.944) 6.490 7.203 ( -9.757 0.000 -4.643) 10.805 7.203 ( -9.757 0.000 4.643) 10.805 7.403 ( 0.016 0.000 -0.259) 0.260 7.403 ( 0.016 0.000 0.259) 0.260 8.204 ( 4.255 0.000 -3.870) 5.752 8.204 ( 4.255 0.000 3.870) 5.752 8.854 ( -0.223 0.000 -0.805) 0.835 8.854 ( -0.223 0.000 0.805) 0.835 9.046 ( 0.073 0.000 -0.759) 0.763 9.046 ( 0.073 0.000 0.759) 0.763 9.081 ( 0.438 0.000 -1.138) 1.219 9.081 ( 0.438 0.000 1.138) 1.219 9.572 ( -0.650 0.000 -0.538) 0.844 9.572 ( -0.650 0.000 0.538) 0.844 10.694 ( 0.093 0.000 -0.249) 0.266 10.694 ( 0.093 0.000 0.249) 0.266 10.817 ( 0.358 0.000 -1.639) 1.677 10.817 ( 0.358 0.000 1.639) 1.677 11.270 ( -1.192 0.000 -1.601) 1.996 11.270 ( -1.192 0.000 1.601) 1.996 11.402 ( -0.022 0.000 -0.609) 0.609 11.402 ( -0.022 0.000 0.609) 0.609 11.514 ( 1.271 0.000 -0.474) 1.357 11.514 ( 1.271 0.000 0.474) 1.357 12.145 ( -0.786 0.000 -3.288) 3.381 12.145 ( -0.786 0.000 3.288) 3.381 16.122 ( 0.021 0.000 -0.305) 0.306 16.122 ( 0.021 0.000 0.305) 0.306 16.242 ( -0.116 0.000 -1.235) 1.241 16.242 ( -0.116 0.000 1.235) 1.241 22.829 ( 5.467 0.000 -2.878) 6.178 22.829 ( 5.467 0.000 2.878) 6.178 23.144 ( 0.013 0.000 -5.194) 5.194 23.144 ( 0.013 0.000 5.194) 5.194 23.335 ( -5.239 0.000 -11.406) 12.552 23.335 ( -5.239 0.000 11.406) 12.552 23.690 ( -0.023 0.000 -5.857) 5.857 23.690 ( -0.023 0.000 5.857) 5.857 25.990 ( -0.593 0.000 -1.580) 1.687 25.990 ( -0.593 0.000 1.580) 1.687 27.248 ( 0.434 0.000 -9.448) 9.458 27.248 ( 0.434 0.000 9.448) 9.458 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 0.465 0.000 -2.582) 2.623 1.925 ( 0.465 0.000 2.582) 2.623 2.050 ( -4.554 0.000 -1.566) 4.816 2.050 ( -4.554 0.000 1.566) 4.816 2.492 ( 0.673 0.000 -0.584) 0.891 2.492 ( 0.673 0.000 0.584) 0.891 3.090 ( 8.514 0.000 -20.491) 22.190 3.090 ( 8.514 0.000 20.491) 22.190 3.163 ( -0.755 0.000 -6.971) 7.012 3.163 ( -0.755 0.000 6.971) 7.012 3.248 ( -5.620 0.000 -22.399) 23.093 3.248 ( -5.620 0.000 22.399) 23.093 3.398 ( -0.284 0.000 -2.374) 2.391 3.398 ( -0.284 0.000 2.374) 2.391 4.332 ( 12.346 0.000 -6.202) 13.816 4.332 ( 12.346 0.000 6.202) 13.816 4.344 ( 1.052 0.000 -2.784) 2.976 4.344 ( 1.052 0.000 2.784) 2.976 4.549 ( -8.909 0.000 -6.755) 11.181 4.549 ( -8.909 0.000 6.755) 11.181 4.906 ( 0.514 0.000 -1.049) 1.168 4.906 ( 0.514 0.000 1.049) 1.168 4.950 ( -5.451 0.000 -1.315) 5.607 4.950 ( -5.451 0.000 1.315) 5.607 5.231 ( -3.273 0.000 -1.391) 3.556 5.231 ( -3.273 0.000 1.391) 3.556 5.313 ( -1.440 0.000 -1.634) 2.178 5.313 ( -1.440 0.000 1.634) 2.178 5.831 ( 2.400 0.000 -0.475) 2.447 5.831 ( 2.400 0.000 0.475) 2.447 6.059 ( 9.853 0.000 -3.869) 10.586 6.059 ( 9.853 0.000 3.869) 10.586 6.172 ( -0.065 0.000 -0.548) 0.552 6.172 ( -0.065 0.000 0.548) 0.552 6.285 ( 1.291 0.000 -10.767) 10.844 6.285 ( 1.291 0.000 10.767) 10.844 6.293 ( -0.389 0.000 -0.009) 0.389 6.293 ( -0.389 0.000 0.009) 0.389 6.321 ( -2.776 0.000 -6.826) 7.369 6.321 ( -2.776 0.000 6.826) 7.369 6.729 ( 3.961 0.000 -5.377) 6.679 6.729 ( 3.961 0.000 5.377) 6.679 7.004 ( -9.789 0.000 -1.899) 9.972 7.004 ( -9.789 0.000 1.899) 9.972 7.404 ( 0.010 0.000 -0.100) 0.101 7.404 ( 0.010 0.000 0.100) 0.101 8.270 ( 2.154 0.000 -1.471) 2.609 8.270 ( 2.154 0.000 1.471) 2.609 8.850 ( -0.137 0.000 -0.316) 0.344 8.850 ( -0.137 0.000 0.316) 0.344 9.047 ( 0.044 0.000 -0.291) 0.294 9.047 ( 0.044 0.000 0.291) 0.294 9.089 ( 0.318 0.000 -0.500) 0.593 9.089 ( 0.318 0.000 0.500) 0.593 9.560 ( -0.438 0.000 -0.345) 0.558 9.560 ( -0.438 0.000 0.345) 0.558 10.696 ( 0.057 0.000 -0.097) 0.112 10.696 ( 0.057 0.000 0.097) 0.112 10.824 ( 0.283 0.000 -0.670) 0.727 10.824 ( 0.283 0.000 0.670) 0.727 11.250 ( -0.769 0.000 -0.637) 0.999 11.250 ( -0.769 0.000 0.637) 0.999 11.402 ( -0.014 0.000 -0.233) 0.234 11.402 ( -0.014 0.000 0.233) 0.234 11.536 ( 0.789 0.000 -0.255) 0.829 11.536 ( 0.789 0.000 0.255) 0.829 12.132 ( -0.510 0.000 -1.286) 1.384 12.132 ( -0.510 0.000 1.286) 1.384 16.122 ( 0.013 0.000 -0.148) 0.149 16.122 ( 0.013 0.000 0.148) 0.149 16.240 ( -0.071 0.000 -0.487) 0.492 16.240 ( -0.071 0.000 0.487) 0.492 22.951 ( 6.326 0.000 -4.056) 7.515 22.951 ( 6.326 0.000 4.056) 7.515 23.144 ( 0.008 0.000 -1.986) 1.986 23.144 ( 0.008 0.000 1.986) 1.986 23.217 ( -6.187 0.000 -7.128) 9.438 23.217 ( -6.187 0.000 7.128) 9.438 23.689 ( -0.014 0.000 -2.239) 2.239 23.689 ( -0.014 0.000 2.239) 2.239 25.980 ( -0.358 0.000 -0.572) 0.675 25.980 ( -0.358 0.000 0.572) 0.675 27.256 ( 0.262 0.000 -3.572) 3.582 27.256 ( 0.262 0.000 3.572) 3.582 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 0.000 10.945 -7.658) 13.358 2.023 ( 0.000 10.945 7.658) 13.358 2.310 ( 0.000 1.406 -0.411) 1.464 2.310 ( 0.000 1.406 0.411) 1.464 2.562 ( 0.000 8.882 -1.620) 9.029 2.562 ( 0.000 8.882 1.620) 9.029 2.844 ( 0.000 3.391 -6.327) 7.178 2.844 ( 0.000 3.391 6.327) 7.178 3.205 ( 0.000 1.023 -18.946) 18.974 3.205 ( 0.000 1.023 18.946) 18.974 3.332 ( 0.000 1.062 -21.555) 21.582 3.332 ( 0.000 1.062 21.555) 21.582 3.482 ( 0.000 6.734 -2.596) 7.217 3.482 ( 0.000 6.734 2.596) 7.217 4.055 ( 0.000 -1.944 -7.714) 7.955 4.055 ( 0.000 -1.944 7.714) 7.955 4.310 ( 0.000 0.143 -1.227) 1.236 4.310 ( 0.000 0.143 1.227) 1.236 4.710 ( 0.000 3.532 -11.276) 11.816 4.710 ( 0.000 3.532 11.276) 11.816 4.842 ( 0.000 -4.011 -1.267) 4.207 4.842 ( 0.000 -4.011 1.267) 4.207 5.051 ( 0.000 -11.126 -7.531) 13.435 5.051 ( 0.000 -11.126 7.531) 13.435 5.420 ( 0.000 -0.550 -6.722) 6.744 5.420 ( 0.000 -0.550 6.722) 6.744 5.525 ( 0.000 4.364 -3.710) 5.728 5.525 ( 0.000 4.364 3.710) 5.728 5.638 ( 0.000 -0.811 -2.569) 2.694 5.638 ( 0.000 -0.811 2.569) 2.694 5.805 ( 0.000 7.816 -5.247) 9.414 5.805 ( 0.000 7.816 5.247) 9.414 6.068 ( 0.000 -4.586 -0.709) 4.641 6.068 ( 0.000 -4.586 0.709) 4.641 6.168 ( 0.000 -1.018 -1.734) 2.010 6.168 ( 0.000 -1.018 1.734) 2.010 6.265 ( 0.000 -1.088 -1.925) 2.211 6.265 ( 0.000 -1.088 1.925) 2.211 6.420 ( 0.000 4.267 -1.448) 4.506 6.420 ( 0.000 4.267 1.448) 4.506 6.700 ( 0.000 -5.051 -3.239) 6.000 6.700 ( 0.000 -5.051 3.239) 6.000 7.298 ( 0.000 -0.406 -5.008) 5.024 7.298 ( 0.000 -0.406 5.008) 5.024 7.446 ( 0.000 3.721 -2.703) 4.599 7.446 ( 0.000 3.721 2.703) 4.599 8.107 ( 0.000 -4.866 -4.492) 6.622 8.107 ( 0.000 -4.866 4.492) 6.622 8.837 ( 0.000 -1.721 -0.904) 1.944 8.837 ( 0.000 -1.721 0.904) 1.944 8.991 ( 0.000 -3.493 -1.183) 3.688 8.991 ( 0.000 -3.493 1.183) 3.688 9.149 ( 0.000 5.107 -1.169) 5.239 9.149 ( 0.000 5.107 1.169) 5.239 9.598 ( 0.000 1.776 -0.065) 1.777 9.598 ( 0.000 1.776 0.065) 1.777 10.693 ( 0.000 0.069 -0.257) 0.266 10.693 ( 0.000 0.069 0.257) 0.266 10.831 ( 0.000 1.816 -1.671) 2.468 10.831 ( 0.000 1.816 1.671) 2.468 11.266 ( 0.000 -1.783 -1.555) 2.366 11.266 ( 0.000 -1.783 1.555) 2.366 11.369 ( 0.000 -2.755 -0.015) 2.755 11.369 ( 0.000 -2.755 0.015) 2.755 11.533 ( 0.000 2.679 -0.055) 2.680 11.533 ( 0.000 2.679 0.055) 2.680 12.108 ( 0.000 -4.477 -3.436) 5.643 12.108 ( 0.000 -4.477 3.436) 5.643 16.125 ( 0.000 0.317 -0.281) 0.423 16.125 ( 0.000 0.317 0.281) 0.423 16.238 ( 0.000 -0.492 -1.420) 1.503 16.238 ( 0.000 -0.492 1.420) 1.503 22.715 ( 0.000 -5.045 -0.042) 5.045 22.715 ( 0.000 -5.045 0.042) 5.045 23.235 ( 0.000 5.772 -0.523) 5.795 23.235 ( 0.000 5.772 0.523) 5.795 23.366 ( 0.000 0.928 -3.281) 3.410 23.366 ( 0.000 0.928 3.281) 3.410 23.747 ( 0.000 5.010 -3.660) 6.205 23.747 ( 0.000 5.010 3.660) 6.205 26.024 ( 0.000 2.922 -1.573) 3.318 26.024 ( 0.000 2.922 1.573) 3.318 27.171 ( 0.000 -7.360 -10.955) 13.198 27.171 ( 0.000 -7.360 10.955) 13.198 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 0.424 10.169 -5.774) 11.702 2.028 ( 0.424 10.169 5.774) 11.702 2.219 ( -8.174 3.491 -3.372) 9.506 2.219 ( -8.174 3.491 3.372) 9.506 2.538 ( -0.892 6.397 -1.276) 6.583 2.538 ( -0.892 6.397 1.276) 6.583 2.952 ( 8.642 3.416 -15.867) 18.388 2.952 ( 8.642 3.416 15.867) 18.388 3.189 ( -1.255 0.667 -16.188) 16.250 3.189 ( -1.255 0.667 16.188) 16.250 3.347 ( 0.260 3.008 -21.338) 21.550 3.347 ( 0.260 3.008 21.338) 21.550 3.478 ( 0.017 6.956 -4.591) 8.334 3.478 ( 0.017 6.956 4.591) 8.334 4.103 ( 5.084 -3.325 -7.721) 9.824 4.103 ( 5.084 -3.325 7.721) 9.824 4.316 ( 0.876 -1.079 -1.742) 2.229 4.316 ( 0.876 -1.079 1.742) 2.229 4.678 ( -3.473 1.895 -6.756) 7.829 4.678 ( -3.473 1.895 6.756) 7.829 4.860 ( 1.641 -2.155 -2.585) 3.744 4.860 ( 1.641 -2.155 2.585) 3.744 4.999 ( -4.802 -8.194 -4.689) 10.592 4.999 ( -4.802 -8.194 4.689) 10.592 5.385 ( -3.230 1.617 -4.857) 6.053 5.385 ( -3.230 1.617 4.857) 6.053 5.412 ( -8.253 5.675 -3.011) 10.459 5.412 ( -8.253 5.675 3.011) 10.459 5.708 ( 5.912 -3.184 -1.016) 6.792 5.708 ( 5.912 -3.184 1.016) 6.792 5.888 ( 6.465 2.804 -4.648) 8.441 5.888 ( 6.465 2.804 4.648) 8.441 6.120 ( 3.730 -4.019 -2.935) 6.219 6.120 ( 3.730 -4.019 2.935) 6.219 6.172 ( 0.700 -1.564 -0.627) 1.824 6.172 ( 0.700 -1.564 0.627) 1.824 6.298 ( 3.486 0.440 -3.834) 5.200 6.298 ( 3.486 0.440 3.834) 5.200 6.412 ( -0.665 3.805 -2.275) 4.483 6.412 ( -0.665 3.805 2.275) 4.483 6.687 ( -0.634 -3.182 -3.550) 4.810 6.687 ( -0.634 -3.182 3.550) 4.810 7.203 ( -9.680 -0.006 -4.188) 10.547 7.203 ( -9.680 -0.006 4.188) 10.547 7.437 ( -0.507 3.046 -1.575) 3.466 7.437 ( -0.507 3.046 1.575) 3.466 8.150 ( 3.701 -5.464 -3.418) 7.432 8.150 ( 3.701 -5.464 3.418) 7.432 8.836 ( -0.053 -1.596 -0.738) 1.759 8.836 ( -0.053 -1.596 0.738) 1.759 8.992 ( 0.117 -3.458 -0.913) 3.578 8.992 ( 0.117 -3.458 0.913) 3.578 9.153 ( 0.432 5.213 -1.007) 5.327 9.153 ( 0.432 5.213 1.007) 5.327 9.593 ( -0.467 1.916 -0.446) 2.022 9.593 ( -0.467 1.916 0.446) 2.022 10.697 ( 0.336 0.322 -0.305) 0.556 10.697 ( 0.336 0.322 0.305) 0.556 10.834 ( 0.242 1.707 -1.451) 2.254 10.834 ( 0.242 1.707 1.451) 2.254 11.256 ( -0.955 -1.520 -1.398) 2.275 11.256 ( -0.955 -1.520 1.398) 2.275 11.364 ( -0.438 -3.181 -0.456) 3.243 11.364 ( -0.438 -3.181 0.456) 3.243 11.548 ( 1.378 2.739 -0.531) 3.112 11.548 ( 1.378 2.739 0.531) 3.112 12.099 ( -0.871 -4.549 -2.822) 5.423 12.099 ( -0.871 -4.549 2.822) 5.423 16.125 ( 0.042 0.337 -0.285) 0.443 16.125 ( 0.042 0.337 0.285) 0.443 16.237 ( -0.103 -0.478 -1.171) 1.269 16.237 ( -0.103 -0.478 1.171) 1.269 22.767 ( 5.426 -4.913 -3.042) 7.926 22.767 ( 5.426 -4.913 3.042) 7.926 23.222 ( -1.814 2.625 -4.973) 5.909 23.222 ( -1.814 2.625 4.973) 5.909 23.329 ( -3.367 3.921 -0.393) 5.183 23.329 ( -3.367 3.921 0.393) 5.183 23.747 ( 0.012 5.067 -3.181) 5.983 23.747 ( 0.012 5.067 3.181) 5.983 26.017 ( -0.590 2.932 -1.224) 3.232 26.017 ( -0.590 2.932 1.224) 3.232 27.176 ( 0.421 -7.376 -8.804) 11.494 27.176 ( 0.421 -7.376 8.804) 11.494 ======================= Grid point 239 (81/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 1.030 8.226 -0.976) 8.348 2.039 ( 1.030 8.226 0.976) 8.348 2.087 ( -4.981 6.059 -2.929) 8.372 2.087 ( -4.981 6.059 2.929) 8.372 2.535 ( 0.158 4.610 -0.365) 4.627 2.535 ( 0.158 4.610 0.365) 4.627 3.091 ( 5.419 0.885 -16.653) 17.535 3.091 ( 5.419 0.885 16.653) 17.535 3.169 ( -0.916 1.492 -10.565) 10.710 3.169 ( -0.916 1.492 10.565) 10.710 3.323 ( -1.960 6.177 -10.648) 12.465 3.323 ( -1.960 6.177 10.648) 12.465 3.483 ( 0.178 7.924 -1.588) 8.083 3.483 ( 0.178 7.924 1.588) 8.083 4.205 ( 4.035 -7.530 -5.332) 10.070 4.205 ( 4.035 -7.530 5.332) 10.070 4.355 ( 3.404 -3.422 -3.691) 6.077 4.355 ( 3.404 -3.422 3.691) 6.077 4.588 ( -5.365 2.110 -1.062) 5.861 4.588 ( -5.365 2.110 1.062) 5.861 4.889 ( 1.122 -0.422 -1.220) 1.711 4.889 ( 1.122 -0.422 1.220) 1.711 4.921 ( -2.712 -2.481 -1.092) 3.834 4.921 ( -2.712 -2.481 1.092) 3.834 5.285 ( -3.987 4.775 -0.166) 6.223 5.285 ( -3.987 4.775 0.166) 6.223 5.343 ( -1.511 3.099 -2.322) 4.157 5.343 ( -1.511 3.099 2.322) 4.157 5.806 ( 3.513 -2.415 -0.710) 4.322 5.806 ( 3.513 -2.415 0.710) 4.322 5.982 ( 2.936 -7.435 -3.198) 8.610 5.982 ( 2.936 -7.435 3.198) 8.610 6.149 ( 0.098 -1.904 -1.421) 2.377 6.149 ( 0.098 -1.904 1.421) 2.377 6.217 ( 3.868 -1.291 -1.784) 4.451 6.217 ( 3.868 -1.291 1.784) 4.451 6.320 ( -2.644 0.491 -4.260) 5.037 6.320 ( -2.644 0.491 4.260) 5.037 6.419 ( 1.232 5.655 -2.579) 6.337 6.419 ( 1.232 5.655 2.579) 6.337 6.730 ( 5.827 0.160 -3.602) 6.852 6.730 ( 5.827 0.160 3.602) 6.852 6.996 ( -10.876 -0.657 -1.755) 11.036 6.996 ( -10.876 -0.657 1.755) 11.036 7.431 ( -0.117 2.546 -0.489) 2.595 7.431 ( -0.117 2.546 0.489) 2.595 8.206 ( 1.806 -6.433 -1.234) 6.795 8.206 ( 1.806 -6.433 1.234) 6.795 8.835 ( 0.001 -1.329 -0.277) 1.357 8.835 ( 0.001 -1.329 0.277) 1.357 8.994 ( 0.063 -3.442 -0.322) 3.458 8.994 ( 0.063 -3.442 0.322) 3.458 9.161 ( 0.293 5.367 -0.426) 5.392 9.161 ( 0.293 5.367 0.426) 5.392 9.585 ( -0.314 2.160 -0.287) 2.201 9.585 ( -0.314 2.160 0.287) 2.201 10.703 ( 0.236 0.799 -0.172) 0.851 10.703 ( 0.236 0.799 0.172) 0.851 10.838 ( 0.170 1.433 -0.628) 1.574 10.838 ( 0.170 1.433 0.628) 1.574 11.239 ( -0.648 -1.117 -0.616) 1.431 11.239 ( -0.648 -1.117 0.616) 1.431 11.357 ( -0.213 -3.805 -0.247) 3.819 11.357 ( -0.213 -3.805 0.247) 3.819 11.571 ( 0.844 2.841 -0.312) 2.980 11.571 ( 0.844 2.841 0.312) 2.980 12.084 ( -0.572 -4.684 -1.109) 4.848 12.084 ( -0.572 -4.684 1.109) 4.848 16.126 ( 0.026 0.371 -0.139) 0.397 16.126 ( 0.026 0.371 0.139) 0.397 16.236 ( -0.063 -0.456 -0.461) 0.652 16.236 ( -0.063 -0.456 0.461) 0.652 22.887 ( 6.078 -4.382 -4.117) 8.549 22.887 ( 6.078 -4.382 4.117) 8.549 23.151 ( -4.976 -4.625 -7.038) 9.782 23.151 ( -4.976 -4.625 7.038) 9.782 23.286 ( -0.957 10.602 -2.195) 10.869 23.286 ( -0.957 10.602 2.195) 10.869 23.748 ( 0.014 5.165 -1.320) 5.331 23.748 ( 0.014 5.165 1.320) 5.331 26.007 ( -0.357 2.946 -0.439) 3.000 26.007 ( -0.357 2.946 0.439) 3.000 27.183 ( 0.253 -7.403 -3.328) 8.120 27.183 ( 0.253 -7.403 3.328) 8.120 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.000 6.680 -4.568) 8.092 2.213 ( 0.000 6.680 4.568) 8.092 2.411 ( 0.000 9.210 -1.608) 9.349 2.411 ( 0.000 9.210 1.608) 9.349 2.770 ( 0.000 12.411 -3.537) 12.905 2.770 ( 0.000 12.411 3.537) 12.905 2.945 ( 0.000 7.149 -5.307) 8.903 2.945 ( 0.000 7.149 5.307) 8.903 3.229 ( 0.000 1.706 -14.656) 14.755 3.229 ( 0.000 1.706 14.656) 14.755 3.360 ( 0.000 1.696 -18.536) 18.613 3.360 ( 0.000 1.696 18.536) 18.613 3.631 ( 0.000 7.527 -5.180) 9.137 3.631 ( 0.000 7.527 5.180) 9.137 4.016 ( 0.000 -2.303 -13.013) 13.215 4.016 ( 0.000 -2.303 13.013) 13.215 4.293 ( 0.000 -1.297 -7.298) 7.412 4.293 ( 0.000 -1.297 7.298) 7.412 4.645 ( 0.000 -9.663 -4.102) 10.498 4.645 ( 0.000 -9.663 4.102) 10.498 4.744 ( 0.000 -9.510 -3.922) 10.287 4.744 ( 0.000 -9.510 3.922) 10.287 5.011 ( 0.000 10.140 -9.719) 14.045 5.011 ( 0.000 10.140 9.719) 14.045 5.395 ( 0.000 -1.821 -4.795) 5.129 5.395 ( 0.000 -1.821 4.795) 5.129 5.589 ( 0.000 2.669 -1.162) 2.910 5.589 ( 0.000 2.669 1.162) 2.910 5.638 ( 0.000 0.159 -2.979) 2.983 5.638 ( 0.000 0.159 2.979) 2.983 5.944 ( 0.000 4.918 -8.731) 10.021 5.944 ( 0.000 4.918 8.731) 10.021 6.022 ( 0.000 1.432 -1.172) 1.851 6.022 ( 0.000 1.432 1.173) 1.851 6.138 ( 0.000 -1.651 -0.345) 1.687 6.138 ( 0.000 -1.651 0.345) 1.687 6.249 ( 0.000 -1.292 -0.972) 1.617 6.249 ( 0.000 -1.292 0.972) 1.617 6.439 ( 0.000 -2.433 -0.735) 2.541 6.439 ( 0.000 -2.433 0.735) 2.541 6.616 ( 0.000 -3.024 -5.764) 6.509 6.616 ( 0.000 -3.024 5.764) 6.509 7.284 ( 0.000 -1.139 -3.778) 3.946 7.284 ( 0.000 -1.139 3.778) 3.946 7.521 ( 0.000 3.830 -4.813) 6.151 7.521 ( 0.000 3.830 4.813) 6.151 7.985 ( 0.000 -7.351 -3.104) 7.980 7.985 ( 0.000 -7.351 3.104) 7.980 8.806 ( 0.000 -1.298 -0.028) 1.298 8.806 ( 0.000 -1.298 0.028) 1.298 8.916 ( 0.000 -4.276 -1.182) 4.437 8.916 ( 0.000 -4.276 1.182) 4.437 9.256 ( 0.000 5.911 -1.257) 6.043 9.256 ( 0.000 5.911 1.257) 6.043 9.632 ( 0.000 1.474 -0.341) 1.513 9.632 ( 0.000 1.474 0.341) 1.513 10.700 ( 0.000 0.752 -0.118) 0.762 10.700 ( 0.000 0.752 0.118) 0.762 10.878 ( 0.000 2.948 -0.893) 3.080 10.878 ( 0.000 2.948 0.893) 3.080 11.220 ( 0.000 -2.731 -1.172) 2.972 11.220 ( 0.000 -2.731 1.172) 2.972 11.310 ( 0.000 -3.394 -0.370) 3.414 11.310 ( 0.000 -3.394 0.370) 3.414 11.592 ( 0.000 3.501 -0.242) 3.510 11.592 ( 0.000 3.501 0.242) 3.510 11.999 ( 0.000 -6.484 -2.313) 6.884 11.999 ( 0.000 -6.484 2.313) 6.884 16.135 ( 0.000 0.747 -0.168) 0.766 16.135 ( 0.000 0.747 0.168) 0.766 16.225 ( 0.000 -0.904 -1.200) 1.502 16.225 ( 0.000 -0.904 1.200) 1.502 22.620 ( 0.000 -4.535 -0.359) 4.549 22.620 ( 0.000 -4.535 0.359) 4.549 23.233 ( 0.000 -2.874 -6.609) 7.207 23.233 ( 0.000 -2.874 6.609) 7.207 23.523 ( 0.000 11.764 -7.432) 13.915 23.523 ( 0.000 11.764 7.432) 13.915 23.845 ( 0.000 4.570 -0.306) 4.580 23.845 ( 0.000 4.570 0.306) 4.580 26.110 ( 0.000 6.171 -0.289) 6.177 26.110 ( 0.000 6.171 0.289) 6.177 26.979 ( 0.000 -12.269 -8.945) 15.184 26.979 ( 0.000 -12.269 8.945) 15.184 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -2.928 5.232 -2.427) 6.468 2.183 ( -2.928 5.232 2.427) 6.468 2.362 ( -4.572 9.847 -3.831) 11.513 2.362 ( -4.572 9.847 3.831) 11.513 2.712 ( -2.993 11.919 -3.422) 12.756 2.712 ( -2.993 11.919 3.422) 12.756 3.050 ( 7.213 6.396 -13.519) 16.604 3.050 ( 7.213 6.396 13.519) 16.604 3.217 ( -0.231 2.639 -11.545) 11.845 3.217 ( -0.231 2.639 11.545) 11.845 3.406 ( 3.162 2.812 -18.621) 19.096 3.406 ( 3.162 2.812 18.621) 19.096 3.635 ( 0.723 8.174 -7.585) 11.175 3.635 ( 0.723 8.174 7.585) 11.175 4.035 ( 1.996 -3.799 -11.628) 12.394 4.035 ( 1.996 -3.799 11.628) 12.394 4.267 ( -1.920 -3.375 -7.303) 8.271 4.267 ( -1.920 -3.375 7.303) 8.271 4.612 ( -3.292 -7.951 -3.378) 9.245 4.612 ( -3.292 -7.951 3.378) 9.245 4.790 ( 4.221 -7.635 -2.985) 9.221 4.790 ( 4.221 -7.635 2.985) 9.221 4.990 ( -1.845 9.488 -6.424) 11.606 4.990 ( -1.845 9.488 6.424) 11.606 5.415 ( 1.227 0.872 -3.565) 3.870 5.415 ( 1.227 0.872 3.565) 3.870 5.494 ( -7.257 2.847 -2.009) 8.051 5.494 ( -7.257 2.847 2.009) 8.051 5.666 ( 2.410 -1.098 -2.184) 3.433 5.666 ( 2.410 -1.098 2.184) 3.433 5.914 ( -2.794 0.546 -7.394) 7.923 5.914 ( -2.794 0.546 7.394) 7.923 6.095 ( 4.484 0.199 -1.808) 4.839 6.095 ( 4.484 0.199 1.808) 4.839 6.136 ( 1.038 -1.335 -0.458) 1.752 6.136 ( 1.038 -1.335 0.458) 1.752 6.311 ( 5.039 0.755 -1.985) 5.468 6.311 ( 5.039 0.755 1.985) 5.468 6.426 ( -0.017 -2.072 -1.155) 2.373 6.426 ( -0.017 -2.072 1.155) 2.373 6.641 ( 2.662 -1.641 -3.483) 4.681 6.641 ( 2.662 -1.641 3.483) 4.681 7.198 ( -9.201 -0.677 -3.326) 9.807 7.198 ( -9.201 -0.677 3.326) 9.807 7.502 ( -1.308 3.539 -3.483) 5.135 7.502 ( -1.308 3.539 3.483) 5.135 8.011 ( 2.140 -8.527 -2.091) 9.037 8.011 ( 2.140 -8.527 2.091) 9.037 8.807 ( 0.144 -1.228 -0.253) 1.262 8.807 ( 0.144 -1.228 0.253) 1.262 8.920 ( 0.411 -3.967 -0.970) 4.104 8.920 ( 0.411 -3.967 0.970) 4.104 9.264 ( 0.821 6.251 -1.060) 6.393 9.264 ( 0.821 6.251 1.060) 6.393 9.628 ( -0.386 1.367 -0.457) 1.492 9.628 ( -0.386 1.367 0.457) 1.492 10.711 ( 1.050 1.228 -0.531) 1.701 10.711 ( 1.050 1.228 0.531) 1.701 10.877 ( -0.129 2.718 -0.992) 2.897 10.877 ( -0.129 2.718 0.992) 2.897 11.215 ( -0.454 -2.594 -1.389) 2.977 11.215 ( -0.454 -2.594 1.389) 2.977 11.298 ( -1.189 -3.653 -0.815) 3.927 11.298 ( -1.189 -3.653 0.815) 3.927 11.606 ( 1.290 3.304 -0.502) 3.582 11.606 ( 1.290 3.304 0.502) 3.582 11.990 ( -0.945 -6.451 -1.912) 6.794 11.990 ( -0.945 -6.451 1.912) 6.794 16.136 ( 0.081 0.767 -0.191) 0.794 16.136 ( 0.081 0.767 0.191) 0.794 16.224 ( -0.070 -0.882 -0.989) 1.327 16.224 ( -0.070 -0.882 0.989) 1.327 22.677 ( 5.949 -4.266 -2.655) 7.787 22.677 ( 5.949 -4.266 2.655) 7.787 23.182 ( -5.468 -3.474 -7.163) 9.658 23.182 ( -5.468 -3.474 7.163) 9.658 23.519 ( -0.288 12.081 -5.971) 13.478 23.519 ( -0.288 12.081 5.971) 13.478 23.846 ( 0.112 4.591 -0.659) 4.640 23.846 ( 0.112 4.591 0.659) 4.640 26.104 ( -0.522 6.247 -0.225) 6.273 26.104 ( -0.522 6.247 0.225) 6.273 26.983 ( 0.367 -12.316 -7.187) 14.264 26.983 ( 0.367 -12.316 7.187) 14.264 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -1.873 4.610 -0.439) 4.996 2.132 ( -1.873 4.610 0.439) 4.996 2.290 ( -2.393 9.172 -2.543) 9.814 2.290 ( -2.393 9.172 2.543) 9.814 2.684 ( -0.559 11.513 -0.994) 11.570 2.684 ( -0.559 11.513 0.994) 11.570 3.133 ( 1.684 3.201 -7.410) 8.245 3.133 ( 1.684 3.201 7.410) 8.245 3.240 ( 2.033 6.048 -2.592) 6.887 3.240 ( 2.033 6.048 2.592) 6.887 3.433 ( 0.021 4.523 -8.629) 9.743 3.433 ( 0.021 4.523 8.629) 9.743 3.655 ( 0.961 8.996 -3.186) 9.591 3.655 ( 0.961 8.996 3.186) 9.591 4.069 ( 1.055 -6.546 -5.192) 8.422 4.069 ( 1.055 -6.546 5.192) 8.422 4.257 ( 0.782 -5.655 -3.961) 6.949 4.257 ( 0.782 -5.655 3.961) 6.949 4.545 ( -3.066 -6.449 -1.484) 7.294 4.545 ( -3.066 -6.449 1.484) 7.294 4.869 ( 3.752 -1.940 -2.188) 4.758 4.869 ( 3.752 -1.940 2.188) 4.758 4.952 ( -2.198 6.046 -1.084) 6.524 4.952 ( -2.198 6.046 1.084) 6.524 5.381 ( -3.572 4.721 -1.151) 6.031 5.381 ( -3.572 4.721 1.151) 6.031 5.423 ( -0.387 4.776 -1.883) 5.148 5.423 ( -0.387 4.776 1.883) 5.148 5.742 ( 5.612 -4.647 -2.326) 7.648 5.742 ( 5.612 -4.647 2.326) 7.648 5.844 ( -4.910 -4.501 -4.609) 8.100 5.844 ( -4.910 -4.501 4.609) 8.100 6.106 ( -0.444 -2.926 -0.813) 3.069 6.106 ( -0.444 -2.926 0.813) 3.069 6.203 ( 2.978 -0.835 -1.016) 3.255 6.203 ( 2.978 -0.835 1.016) 3.255 6.334 ( -1.112 1.250 -2.128) 2.707 6.334 ( -1.112 1.250 2.128) 2.707 6.496 ( 4.303 2.446 -2.689) 5.633 6.496 ( 4.303 2.446 2.689) 5.633 6.732 ( 7.962 -0.248 -2.365) 8.309 6.732 ( 7.962 -0.248 2.365) 8.309 6.984 ( -12.448 -0.642 -1.638) 12.572 6.984 ( -12.448 -0.642 1.638) 12.572 7.487 ( -0.372 3.100 -1.216) 3.351 7.487 ( -0.372 3.100 1.216) 3.351 8.041 ( 0.898 -10.246 -0.629) 10.305 8.041 ( 0.898 -10.246 0.629) 10.305 8.811 ( 0.173 -1.044 -0.133) 1.066 8.811 ( 0.173 -1.044 0.133) 1.066 8.927 ( 0.190 -3.575 -0.374) 3.599 8.927 ( 0.190 -3.575 0.374) 3.599 9.279 ( 0.530 6.828 -0.435) 6.863 9.279 ( 0.530 6.828 0.435) 6.863 9.622 ( -0.262 1.170 -0.261) 1.227 9.622 ( -0.262 1.170 0.261) 1.227 10.731 ( 0.823 2.239 -0.413) 2.421 10.731 ( 0.823 2.239 0.413) 2.421 10.873 ( -0.245 2.046 -0.597) 2.146 10.873 ( -0.245 2.046 0.597) 2.146 11.208 ( -0.193 -2.022 -0.896) 2.220 11.208 ( -0.193 -2.022 0.896) 2.220 11.277 ( -0.797 -4.405 -0.629) 4.521 11.277 ( -0.797 -4.405 0.629) 4.521 11.628 ( 0.825 3.043 -0.303) 3.168 11.628 ( 0.825 3.043 0.303) 3.168 11.973 ( -0.640 -6.414 -0.765) 6.491 11.973 ( -0.640 -6.414 0.765) 6.491 16.137 ( 0.051 0.799 -0.100) 0.807 16.137 ( 0.051 0.799 0.100) 0.807 16.223 ( -0.044 -0.848 -0.389) 0.935 16.223 ( -0.044 -0.848 0.389) 0.935 22.814 ( 7.750 -3.134 -4.035) 9.282 22.814 ( 7.750 -3.134 4.035) 9.282 23.052 ( -7.511 -4.979 -5.796) 10.714 23.052 ( -7.511 -4.979 5.796) 10.714 23.515 ( -0.127 12.430 -2.229) 12.629 23.515 ( -0.127 12.430 2.229) 12.629 23.848 ( 0.078 4.625 -0.378) 4.641 23.848 ( 0.078 4.625 0.378) 4.641 26.095 ( -0.317 6.369 -0.086) 6.377 26.095 ( -0.317 6.369 0.086) 6.377 26.989 ( 0.220 -12.392 -2.715) 12.688 26.989 ( 0.220 -12.392 2.715) 12.688 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 0.000 2.952 -1.258) 3.209 2.298 ( 0.000 2.952 1.258) 3.209 2.569 ( 0.000 5.665 -1.084) 5.768 2.569 ( 0.000 5.665 1.084) 5.768 2.995 ( 0.000 9.310 -3.408) 9.915 2.995 ( 0.000 9.310 3.408) 9.915 3.098 ( 0.000 7.530 -3.473) 8.292 3.098 ( 0.000 7.530 3.473) 8.292 3.288 ( 0.000 5.231 -11.213) 12.373 3.288 ( 0.000 5.231 11.213) 12.373 3.393 ( 0.000 1.550 -15.356) 15.434 3.393 ( 0.000 1.550 15.356) 15.434 3.722 ( 0.000 1.472 -7.501) 7.644 3.722 ( 0.000 1.472 7.501) 7.644 3.959 ( 0.000 -3.450 -11.292) 11.807 3.959 ( 0.000 -3.450 11.292) 11.807 4.272 ( 0.000 -1.647 -7.816) 7.988 4.272 ( 0.000 -1.647 7.816) 7.988 4.461 ( 0.000 -6.681 -7.203) 9.824 4.461 ( 0.000 -6.681 7.203) 9.824 4.575 ( 0.000 -7.234 -4.248) 8.389 4.575 ( 0.000 -7.234 4.248) 8.390 5.257 ( 0.000 13.330 -4.614) 14.106 5.257 ( 0.000 13.330 4.614) 14.106 5.355 ( 0.000 -2.040 -1.865) 2.764 5.355 ( 0.000 -2.040 1.865) 2.764 5.598 ( 0.000 -3.583 -4.442) 5.707 5.598 ( 0.000 -3.583 4.442) 5.707 5.665 ( 0.000 4.356 -1.464) 4.595 5.665 ( 0.000 4.356 1.464) 4.595 5.965 ( 0.000 -2.402 -5.037) 5.581 5.965 ( 0.000 -2.402 5.037) 5.581 6.070 ( 0.000 2.023 -2.134) 2.940 6.070 ( 0.000 2.023 2.134) 2.940 6.178 ( 0.000 3.588 -0.104) 3.590 6.178 ( 0.000 3.588 0.104) 3.590 6.208 ( 0.000 0.407 -2.774) 2.803 6.208 ( 0.000 0.407 2.774) 2.803 6.387 ( 0.000 -1.713 -2.070) 2.687 6.387 ( 0.000 -1.713 2.070) 2.687 6.543 ( 0.000 -5.893 -8.574) 10.404 6.543 ( 0.000 -5.893 8.574) 10.404 7.256 ( 0.000 -1.516 -2.217) 2.686 7.256 ( 0.000 -1.516 2.217) 2.686 7.586 ( 0.000 2.939 -4.513) 5.386 7.586 ( 0.000 2.939 4.513) 5.386 7.854 ( 0.000 -5.707 -0.730) 5.754 7.854 ( 0.000 -5.707 0.730) 5.754 8.782 ( 0.000 -1.527 -1.306) 2.009 8.782 ( 0.000 -1.527 1.306) 2.009 8.847 ( 0.000 -2.308 -0.075) 2.309 8.847 ( 0.000 -2.308 0.075) 2.309 9.361 ( 0.000 4.622 -0.920) 4.712 9.361 ( 0.000 4.622 0.920) 4.712 9.645 ( 0.000 -0.133 -0.250) 0.284 9.645 ( 0.000 -0.133 0.250) 0.284 10.721 ( 0.000 1.249 -0.039) 1.250 10.721 ( 0.000 1.249 0.039) 1.250 10.934 ( 0.000 2.525 -0.049) 2.525 10.934 ( 0.000 2.525 0.049) 2.525 11.176 ( 0.000 -1.441 -1.331) 1.962 11.176 ( 0.000 -1.441 1.331) 1.962 11.242 ( 0.000 -3.506 -0.092) 3.507 11.242 ( 0.000 -3.506 0.092) 3.507 11.667 ( 0.000 4.413 -0.642) 4.460 11.667 ( 0.000 4.413 0.642) 4.460 11.875 ( 0.000 -6.375 -1.477) 6.544 11.875 ( 0.000 -6.375 1.477) 6.544 16.153 ( 0.000 1.124 -0.087) 1.128 16.153 ( 0.000 1.124 0.087) 1.128 16.205 ( 0.000 -1.177 -0.857) 1.456 16.205 ( 0.000 -1.177 0.857) 1.456 22.551 ( 0.000 -2.562 -0.336) 2.584 22.551 ( 0.000 -2.562 0.336) 2.584 23.184 ( 0.000 -1.932 -3.333) 3.853 23.184 ( 0.000 -1.932 3.333) 3.853 23.732 ( 0.000 9.347 -6.424) 11.342 23.732 ( 0.000 9.347 6.424) 11.342 23.903 ( 0.000 1.137 -2.913) 3.127 23.903 ( 0.000 1.137 2.913) 3.127 26.260 ( 0.000 9.578 -1.643) 9.718 26.260 ( 0.000 9.578 1.643) 9.718 26.726 ( 0.000 -13.773 -6.454) 15.211 26.726 ( 0.000 -13.773 6.454) 15.211 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -2.967 3.253 -0.899) 4.493 2.262 ( -2.967 3.253 0.899) 4.493 2.499 ( -6.596 4.162 -1.821) 8.010 2.499 ( -6.596 4.162 1.821) 8.010 2.960 ( -1.937 12.235 -1.230) 12.448 2.960 ( -1.937 12.235 1.230) 12.448 3.151 ( 3.278 2.850 -6.450) 7.776 3.151 ( 3.278 2.850 6.450) 7.776 3.310 ( 2.856 7.146 -7.120) 10.484 3.310 ( 2.856 7.146 7.120) 10.484 3.450 ( 4.199 1.677 -14.883) 15.555 3.450 ( 4.199 1.677 14.883) 15.555 3.742 ( 2.236 2.282 -8.649) 9.220 3.742 ( 2.236 2.282 8.649) 9.220 3.957 ( -0.137 -3.980 -9.545) 10.342 3.957 ( -0.137 -3.980 9.545) 10.342 4.209 ( -4.062 -2.507 -5.329) 7.154 4.209 ( -4.062 -2.507 5.329) 7.154 4.455 ( -2.478 -7.095 -4.056) 8.540 4.455 ( -2.478 -7.095 4.056) 8.540 4.665 ( 9.222 -4.467 -3.358) 10.783 4.665 ( 9.222 -4.467 3.359) 10.783 5.201 ( -5.220 10.371 -2.508) 11.878 5.201 ( -5.220 10.371 2.508) 11.878 5.402 ( 3.436 -1.166 -0.985) 3.760 5.402 ( 3.436 -1.166 0.985) 3.760 5.535 ( -5.643 -0.146 -1.544) 5.853 5.535 ( -5.644 -0.146 1.544) 5.853 5.659 ( 0.557 1.526 -1.830) 2.447 5.659 ( 0.557 1.526 1.830) 2.447 5.935 ( -4.110 0.064 -5.195) 6.625 5.935 ( -4.110 0.064 5.195) 6.625 6.059 ( -1.358 -1.002 -0.588) 1.787 6.059 ( -1.358 -1.002 0.588) 1.787 6.163 ( 1.218 1.929 -0.461) 2.327 6.163 ( 1.218 1.929 0.461) 2.327 6.324 ( 7.178 0.722 -2.342) 7.585 6.324 ( 7.178 0.722 2.342) 7.585 6.389 ( 2.612 -0.397 -0.436) 2.678 6.389 ( 2.612 -0.397 0.436) 2.678 6.587 ( 4.248 -4.633 -6.602) 9.116 6.587 ( 4.248 -4.633 6.602) 9.116 7.178 ( -8.416 -1.131 -1.906) 8.703 7.178 ( -8.416 -1.131 1.906) 8.703 7.570 ( -1.236 3.629 -3.819) 5.411 7.570 ( -1.236 3.629 3.819) 5.411 7.851 ( -0.400 -7.533 -0.304) 7.549 7.851 ( -0.400 -7.533 0.304) 7.549 8.788 ( 0.648 -0.886 -1.007) 1.489 8.788 ( 0.648 -0.886 1.007) 1.489 8.854 ( 0.640 -2.542 -0.460) 2.661 8.854 ( 0.640 -2.542 0.460) 2.661 9.379 ( 1.752 5.239 -0.807) 5.583 9.379 ( 1.752 5.239 0.807) 5.583 9.635 ( -1.002 -0.640 -0.366) 1.244 9.635 ( -1.002 -0.640 0.366) 1.244 10.742 ( 2.122 1.769 -0.575) 2.821 10.742 ( 2.122 1.769 0.575) 2.821 10.928 ( -0.747 2.268 -0.734) 2.498 10.928 ( -0.747 2.268 0.734) 2.498 11.170 ( -0.477 -1.695 -1.365) 2.228 11.170 ( -0.477 -1.695 1.365) 2.228 11.229 ( -1.399 -3.407 -0.585) 3.729 11.229 ( -1.399 -3.407 0.585) 3.729 11.675 ( 0.744 4.021 -0.551) 4.126 11.675 ( 0.744 4.021 0.551) 4.126 11.868 ( -0.676 -6.112 -1.217) 6.268 11.868 ( -0.676 -6.112 1.217) 6.268 16.154 ( 0.108 1.137 -0.116) 1.148 16.154 ( 0.108 1.137 0.116) 1.148 16.204 ( -0.035 -1.166 -0.710) 1.365 16.204 ( -0.035 -1.166 0.710) 1.365 22.612 ( 6.432 -2.409 -1.535) 7.038 22.612 ( 6.432 -2.409 1.535) 7.038 23.127 ( -6.125 -2.096 -3.619) 7.416 23.127 ( -6.125 -2.096 3.619) 7.416 23.732 ( -0.057 9.449 -5.081) 10.728 23.732 ( -0.057 9.449 5.081) 10.728 23.903 ( 0.025 1.014 -2.284) 2.499 23.903 ( 0.025 1.014 2.284) 2.499 26.257 ( -0.305 9.736 -1.357) 9.835 26.257 ( -0.305 9.736 1.357) 9.835 26.728 ( 0.234 -13.879 -5.189) 14.819 26.728 ( 0.234 -13.879 5.189) 14.819 ======================= Grid point 259 (87/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -0.602 4.850 -0.617) 4.926 2.226 ( -0.602 4.850 0.617) 4.926 2.381 ( -4.680 1.214 -1.235) 4.990 2.381 ( -4.680 1.214 1.235) 4.990 2.940 ( -0.450 13.385 -0.553) 13.404 2.940 ( -0.450 13.385 0.553) 13.404 3.186 ( 0.803 1.281 -2.720) 3.113 3.186 ( 0.803 1.281 2.720) 3.113 3.378 ( 3.294 7.247 -3.555) 8.718 3.378 ( 3.294 7.247 3.555) 8.718 3.488 ( -0.065 1.496 -7.894) 8.035 3.488 ( -0.065 1.496 7.894) 8.035 3.789 ( 1.895 4.503 -4.104) 6.381 3.789 ( 1.895 4.503 4.104) 6.381 3.956 ( -0.012 -5.200 -3.800) 6.441 3.956 ( -0.012 -5.200 3.800) 6.441 4.177 ( 0.359 -1.936 -1.849) 2.701 4.177 ( 0.359 -1.936 1.849) 2.701 4.391 ( -3.233 -8.487 -0.810) 9.118 4.391 ( -3.233 -8.487 0.810) 9.118 4.855 ( 10.361 0.506 -2.683) 10.715 4.855 ( 10.361 0.506 2.683) 10.715 5.071 ( -8.593 5.269 -1.292) 10.162 5.071 ( -8.593 5.269 1.292) 10.162 5.430 ( -0.963 0.014 -1.732) 1.981 5.430 ( -0.963 0.014 1.732) 1.982 5.477 ( 0.265 -0.909 -0.990) 1.370 5.477 ( 0.265 -0.909 0.990) 1.370 5.685 ( 1.822 2.182 -1.565) 3.245 5.685 ( 1.822 2.182 1.565) 3.245 5.847 ( -4.018 2.716 -2.861) 5.631 5.847 ( -4.018 2.716 2.861) 5.631 6.043 ( -0.413 -2.657 -0.421) 2.722 6.043 ( -0.413 -2.657 0.421) 2.722 6.168 ( -0.319 -3.035 -0.851) 3.168 6.168 ( -0.319 -3.035 0.851) 3.168 6.377 ( 0.991 3.313 -1.113) 3.633 6.377 ( 0.991 3.313 1.113) 3.633 6.511 ( 4.872 -1.093 -3.370) 6.024 6.511 ( 4.872 -1.093 3.370) 6.024 6.714 ( 10.674 -1.394 -2.918) 11.153 6.714 ( 10.674 -1.394 2.918) 11.153 6.970 ( -13.281 -0.775 -0.961) 13.339 6.970 ( -13.281 -0.775 0.961) 13.339 7.555 ( -0.404 4.317 -1.578) 4.614 7.555 ( -0.404 4.317 1.578) 4.614 7.842 ( -0.443 -10.055 -0.301) 10.069 7.842 ( -0.443 -10.055 0.301) 10.069 8.800 ( 0.472 0.015 -0.395) 0.615 8.800 ( 0.472 0.015 0.395) 0.615 8.863 ( 0.283 -2.879 -0.284) 2.906 8.863 ( 0.283 -2.879 0.284) 2.906 9.411 ( 1.279 6.677 -0.372) 6.808 9.411 ( 1.279 6.677 0.372) 6.808 9.616 ( -0.813 -1.894 -0.245) 2.075 9.616 ( -0.813 -1.894 0.245) 2.075 10.787 ( 2.178 3.374 -0.639) 4.066 10.787 ( 2.178 3.374 0.639) 4.066 10.905 ( -1.413 0.974 -0.782) 1.886 10.905 ( -1.413 0.974 0.782) 1.886 11.168 ( 0.379 -1.908 -1.209) 2.290 11.168 ( 0.379 -1.908 1.209) 2.290 11.199 ( -1.446 -3.351 -0.915) 3.762 11.199 ( -1.446 -3.351 0.915) 3.762 11.688 ( 0.509 3.371 -0.239) 3.418 11.688 ( 0.509 3.371 0.239) 3.418 11.855 ( -0.471 -5.652 -0.488) 5.692 11.855 ( -0.471 -5.652 0.488) 5.692 16.156 ( 0.068 1.160 -0.066) 1.164 16.156 ( 0.068 1.160 0.066) 1.164 16.204 ( -0.023 -1.149 -0.282) 1.183 16.204 ( -0.023 -1.149 0.282) 1.183 22.768 ( 9.743 -1.723 -2.656) 10.244 22.768 ( 9.743 -1.723 2.656) 10.244 22.976 ( -9.579 -2.794 -3.446) 10.557 22.976 ( -9.579 -2.794 3.446) 10.557 23.731 ( -0.013 9.623 -1.873) 9.803 23.731 ( -0.013 9.623 1.873) 9.803 23.903 ( 0.020 0.801 -0.833) 1.155 23.903 ( 0.020 0.801 0.833) 1.155 26.252 ( -0.185 9.990 -0.534) 10.006 26.252 ( -0.185 9.990 0.534) 10.006 26.732 ( 0.140 -14.046 -1.963) 14.184 26.732 ( 0.140 -14.046 1.963) 14.184 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.000 0.000 0.000) 0.000 2.327 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 -0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 -0.000 -0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 -0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 -0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 -0.000 -0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 -0.000 0.000) 0.000 5.464 ( 0.000 -0.000 0.000) 0.000 5.487 ( 0.000 0.000 -0.000) 0.000 5.487 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 -0.000 -0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 -0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 -0.000 -0.000) 0.000 6.383 ( 0.000 -0.000 0.000) 0.000 6.408 ( 0.000 0.000 -0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 -0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.620 ( 0.000 -0.000 0.000) 0.000 7.620 ( 0.000 0.000 0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 8.829 ( 0.000 0.000 0.000) 0.000 8.829 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 9.640 ( 0.000 -0.000 0.000) 0.000 9.640 ( 0.000 0.000 0.000) 0.000 10.736 ( 0.000 0.000 0.000) 0.000 10.736 ( 0.000 0.000 0.000) 0.000 10.960 ( 0.000 0.000 0.000) 0.000 10.960 ( 0.000 0.000 0.000) 0.000 11.171 ( 0.000 -0.000 -0.000) 0.000 11.171 ( 0.000 0.000 0.000) 0.000 11.196 ( 0.000 0.000 0.000) 0.000 11.196 ( 0.000 0.000 0.000) 0.000 11.760 ( 0.000 0.000 -0.000) 0.000 11.760 ( 0.000 0.000 0.000) 0.000 11.762 ( 0.000 -0.000 -0.000) 0.000 11.762 ( 0.000 -0.000 0.000) 0.000 16.171 ( 0.000 -0.000 0.000) 0.000 16.171 ( 0.000 0.000 0.000) 0.000 16.186 ( 0.000 0.000 0.000) 0.000 16.186 ( 0.000 0.000 0.000) 0.000 22.526 ( 0.000 0.000 0.000) 0.000 22.526 ( 0.000 0.000 0.000) 0.000 23.165 ( 0.000 0.000 0.000) 0.000 23.165 ( 0.000 0.000 0.000) 0.000 23.846 ( 0.000 0.000 -0.000) 0.000 23.846 ( 0.000 0.000 0.000) 0.000 23.893 ( 0.000 -0.000 -0.000) 0.000 23.893 ( 0.000 0.000 0.000) 0.000 26.465 ( 0.000 -0.000 0.000) 0.000 26.465 ( 0.000 -0.000 0.000) 0.000 26.479 ( 0.000 0.000 0.000) 0.000 26.479 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -2.390 0.000 0.000) 2.390 2.296 ( -2.390 0.000 0.000) 2.390 2.535 ( -8.083 0.000 0.000) 8.083 2.535 ( -8.083 0.000 0.000) 8.083 3.105 ( 1.825 0.000 0.000) 1.825 3.105 ( 1.825 0.000 0.000) 1.825 3.159 ( -1.001 0.000 0.000) 1.001 3.159 ( -1.001 0.000 0.000) 1.001 3.413 ( 2.206 0.000 0.000) 2.206 3.413 ( 2.206 0.000 0.000) 2.206 3.460 ( 4.648 0.000 -0.000) 4.648 3.460 ( 4.648 0.000 0.000) 4.648 3.745 ( 3.546 0.000 -0.000) 3.546 3.745 ( 3.546 0.000 0.000) 3.546 3.914 ( -0.441 -0.000 0.000) 0.441 3.914 ( -0.441 0.000 0.000) 0.441 4.183 ( -3.137 -0.000 0.000) 3.137 4.183 ( -3.137 0.000 0.000) 3.137 4.381 ( -4.114 0.000 0.000) 4.114 4.381 ( -4.114 0.000 0.000) 4.114 4.626 ( 11.609 0.000 0.000) 11.609 4.626 ( 11.609 0.000 0.000) 11.609 5.303 ( -4.854 0.000 0.000) 4.854 5.303 ( -4.854 0.000 0.000) 4.854 5.432 ( -2.630 -0.000 0.000) 2.630 5.432 ( -2.630 0.000 0.000) 2.630 5.475 ( -1.277 0.000 -0.000) 1.277 5.475 ( -1.277 0.000 0.000) 1.277 5.711 ( 0.106 0.000 0.000) 0.106 5.711 ( 0.106 0.000 0.000) 0.106 5.900 ( -1.316 0.000 0.000) 1.316 5.900 ( -1.316 0.000 0.000) 1.316 6.075 ( -2.468 0.000 0.000) 2.468 6.075 ( -2.468 0.000 0.000) 2.468 6.178 ( -2.069 0.000 -0.000) 2.069 6.178 ( -2.069 0.000 0.000) 2.069 6.335 ( 6.089 0.000 -0.000) 6.089 6.335 ( 6.089 0.000 0.000) 6.089 6.416 ( 2.878 0.000 -0.000) 2.878 6.416 ( 2.878 -0.000 0.000) 2.878 6.502 ( 7.487 0.000 -0.000) 7.487 6.502 ( 7.487 0.000 0.000) 7.487 7.165 ( -8.009 0.000 0.000) 8.009 7.165 ( -8.009 0.000 0.000) 8.009 7.620 ( 0.313 -0.000 0.000) 0.313 7.620 ( 0.313 0.000 0.000) 0.313 7.762 ( -3.097 0.000 0.000) 3.097 7.762 ( -3.097 0.000 0.000) 3.097 8.777 ( 1.544 0.000 0.000) 1.544 8.777 ( 1.544 0.000 0.000) 1.544 8.831 ( 0.141 -0.000 0.000) 0.141 8.831 ( 0.141 0.000 0.000) 0.141 9.437 ( 2.767 0.000 0.000) 2.767 9.437 ( 2.767 0.000 0.000) 2.767 9.622 ( -1.919 -0.000 0.000) 1.919 9.622 ( -1.919 0.000 0.000) 1.919 10.762 ( 2.803 0.000 0.000) 2.803 10.762 ( 2.803 0.000 0.000) 2.803 10.951 ( -1.160 0.000 0.000) 1.160 10.951 ( -1.160 0.000 0.000) 1.160 11.159 ( -1.057 0.000 0.000) 1.057 11.159 ( -1.057 0.000 0.000) 1.057 11.186 ( -0.990 0.000 0.000) 0.990 11.186 ( -0.990 0.000 0.000) 0.990 11.760 ( 0.001 0.000 -0.000) 0.001 11.760 ( 0.001 0.000 0.000) 0.001 11.762 ( -0.049 -0.000 -0.000) 0.049 11.762 ( -0.049 -0.000 0.000) 0.049 16.173 ( 0.201 -0.000 0.000) 0.201 16.173 ( 0.201 0.000 0.000) 0.201 16.185 ( -0.106 0.000 0.000) 0.106 16.185 ( -0.106 0.000 0.000) 0.106 22.588 ( 6.599 0.000 0.000) 6.599 22.588 ( 6.599 0.000 0.000) 6.599 23.106 ( -6.289 0.000 0.000) 6.289 23.106 ( -6.289 0.000 0.000) 6.289 23.849 ( 0.403 0.000 -0.000) 0.403 23.849 ( 0.403 0.000 0.000) 0.403 23.888 ( -0.476 -0.000 -0.000) 0.476 23.888 ( -0.476 0.000 0.000) 0.476 26.466 ( 0.119 -0.000 0.000) 0.119 26.466 ( 0.119 -0.000 0.000) 0.119 26.477 ( -0.132 0.000 0.000) 0.132 26.477 ( -0.132 0.000 0.000) 0.132 ======================= Grid point 273 (90/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 2.072 0.000 0.000) 2.072 2.285 ( 2.072 0.000 0.000) 2.072 2.379 ( -7.754 0.000 0.000) 7.754 2.379 ( -7.754 0.000 0.000) 7.754 3.132 ( 1.079 -0.000 0.000) 1.079 3.132 ( 1.079 0.000 0.000) 1.079 3.146 ( -0.534 -0.000 0.000) 0.534 3.146 ( -0.534 0.000 0.000) 0.534 3.462 ( 2.840 0.000 0.000) 2.840 3.462 ( 2.840 0.000 0.000) 2.840 3.499 ( -0.540 0.000 -0.000) 0.540 3.499 ( -0.540 0.000 0.000) 0.540 3.832 ( 4.763 0.000 0.000) 4.763 3.832 ( 4.763 0.000 0.000) 4.763 3.893 ( -2.002 -0.000 0.000) 2.002 3.893 ( -2.002 0.000 0.000) 2.002 4.181 ( 3.326 -0.000 0.000) 3.326 4.181 ( 3.326 0.000 0.000) 3.326 4.281 ( -6.372 0.000 0.000) 6.372 4.281 ( -6.372 0.000 0.000) 6.372 4.868 ( 14.223 0.000 0.000) 14.223 4.868 ( 14.223 0.000 0.000) 14.223 5.124 ( -13.178 0.000 0.000) 13.178 5.124 ( -13.178 0.000 0.000) 13.178 5.419 ( 0.884 0.000 0.000) 0.884 5.419 ( 0.884 0.000 0.000) 0.884 5.446 ( -1.734 -0.000 0.000) 1.734 5.446 ( -1.734 0.000 0.000) 1.734 5.762 ( 4.583 -0.000 0.000) 4.583 5.762 ( 4.583 0.000 0.000) 4.583 5.849 ( -4.282 0.000 0.000) 4.282 5.849 ( -4.282 0.000 0.000) 4.282 6.056 ( 0.848 -0.000 0.000) 0.848 6.056 ( 0.848 0.000 0.000) 0.848 6.103 ( -4.038 0.000 0.000) 4.038 6.103 ( -4.038 0.000 0.000) 4.038 6.447 ( 3.350 -0.000 -0.000) 3.350 6.447 ( 3.350 -0.000 0.000) 3.350 6.460 ( 1.345 0.000 -0.000) 1.345 6.460 ( 1.345 0.000 0.000) 1.345 6.698 ( 13.872 0.000 0.000) 13.872 6.698 ( 13.872 0.000 0.000) 13.872 6.961 ( -13.723 0.000 0.000) 13.723 6.961 ( -13.723 0.000 0.000) 13.723 7.641 ( 2.148 -0.000 0.000) 2.148 7.641 ( 2.148 0.000 0.000) 2.148 7.696 ( -3.679 0.000 0.000) 3.679 7.696 ( -3.679 0.000 0.000) 3.679 8.807 ( 1.574 0.000 0.000) 1.574 8.807 ( 1.574 0.000 0.000) 1.574 8.828 ( -0.623 -0.000 0.000) 0.623 8.828 ( -0.623 0.000 0.000) 0.623 9.501 ( 3.994 0.000 0.000) 3.994 9.501 ( 3.994 0.000 0.000) 3.994 9.572 ( -3.465 -0.000 0.000) 3.465 9.572 ( -3.465 0.000 0.000) 3.465 10.831 ( 4.415 0.000 0.000) 4.415 10.831 ( 4.415 0.000 0.000) 4.415 10.908 ( -3.590 0.000 0.000) 3.590 10.908 ( -3.590 0.000 0.000) 3.590 11.148 ( 0.191 0.000 0.000) 0.191 11.148 ( 0.191 0.000 0.000) 0.191 11.164 ( -1.266 0.000 0.000) 1.266 11.164 ( -1.266 0.000 0.000) 1.266 11.760 ( 0.019 0.000 0.000) 0.019 11.760 ( 0.019 0.000 -0.000) 0.019 11.761 ( -0.046 -0.000 0.000) 0.046 11.761 ( -0.046 -0.000 -0.000) 0.046 16.178 ( 0.272 -0.000 0.000) 0.272 16.178 ( 0.272 0.000 0.000) 0.272 16.182 ( -0.213 -0.000 0.000) 0.213 16.182 ( -0.213 0.000 0.000) 0.213 22.751 ( 10.568 0.000 0.000) 10.568 22.751 ( 10.568 0.000 0.000) 10.568 22.949 ( -10.402 0.000 0.000) 10.402 22.949 ( -10.402 0.000 0.000) 10.402 23.861 ( 0.807 0.000 0.000) 0.807 23.861 ( 0.807 0.000 0.000) 0.807 23.876 ( -0.826 -0.000 0.000) 0.826 23.876 ( -0.826 -0.000 0.000) 0.826 26.469 ( 0.227 -0.000 0.000) 0.227 26.469 ( 0.227 -0.000 0.000) 0.227 26.474 ( -0.237 0.000 0.000) 0.237 26.474 ( -0.237 0.000 0.000) 0.237 =================== 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 3/33600 10.0 4073.591 4614.570 4625.065 0.000 0.000 0.000 3/33600 20.0 337.471 484.855 467.926 0.000 0.000 -0.000 3/33600 30.0 87.206 134.600 129.154 0.000 0.000 -0.000 3/33600 40.0 35.921 57.732 56.509 0.000 0.000 -0.000 3/33600 50.0 19.347 31.835 31.833 0.000 0.000 -0.000 3/33600 60.0 12.324 20.546 20.885 0.000 0.000 -0.000 3/33600 70.0 8.752 14.691 15.110 0.000 0.000 -0.000 3/33600 80.0 6.687 11.262 11.680 0.000 0.000 -0.000 3/33600 90.0 5.376 9.066 9.461 0.000 0.000 -0.000 3/33600 100.0 4.484 7.565 7.931 0.000 0.000 -0.000 3/33600 110.0 3.845 6.484 6.823 0.000 0.000 -0.000 3/33600 120.0 3.366 5.675 5.989 0.000 0.000 -0.000 3/33600 130.0 2.997 5.049 5.342 0.000 0.000 -0.000 3/33600 140.0 2.703 4.553 4.828 0.000 0.000 -0.000 3/33600 150.0 2.465 4.151 4.411 0.000 0.000 -0.000 3/33600 160.0 2.269 3.820 4.068 0.000 0.000 -0.000 3/33600 170.0 2.105 3.543 3.782 0.000 0.000 -0.000 3/33600 180.0 1.965 3.309 3.541 0.000 0.000 -0.000 3/33600 190.0 1.845 3.108 3.335 0.000 0.000 -0.000 3/33600 200.0 1.742 2.935 3.157 0.000 0.000 -0.000 3/33600 210.0 1.651 2.783 3.003 0.000 0.000 -0.000 3/33600 220.0 1.571 2.650 2.868 0.000 0.000 -0.000 3/33600 230.0 1.499 2.532 2.749 0.000 0.000 -0.000 3/33600 240.0 1.436 2.426 2.643 0.000 0.000 -0.000 3/33600 250.0 1.378 2.331 2.548 0.000 0.000 -0.000 3/33600 260.0 1.326 2.246 2.462 0.000 0.000 -0.000 3/33600 270.0 1.278 2.167 2.385 0.000 0.000 -0.000 3/33600 280.0 1.235 2.096 2.314 0.000 0.000 -0.000 3/33600 290.0 1.195 2.030 2.249 0.000 0.000 -0.000 3/33600 300.0 1.157 1.969 2.188 0.000 0.000 -0.000 3/33600 310.0 1.123 1.912 2.133 0.000 0.000 -0.000 3/33600 320.0 1.091 1.860 2.080 0.000 0.000 -0.000 3/33600 330.0 1.061 1.810 2.031 0.000 0.000 -0.000 3/33600 340.0 1.033 1.764 1.986 0.000 0.000 -0.000 3/33600 350.0 1.006 1.720 1.942 0.000 0.000 -0.000 3/33600 360.0 0.981 1.679 1.901 0.000 0.000 0.000 3/33600 370.0 0.957 1.640 1.862 0.000 0.000 0.000 3/33600 380.0 0.935 1.603 1.825 0.000 0.000 0.000 3/33600 390.0 0.913 1.568 1.789 0.000 0.000 0.000 3/33600 400.0 0.893 1.534 1.755 0.000 0.000 0.000 3/33600 410.0 0.874 1.502 1.723 0.000 0.000 0.000 3/33600 420.0 0.855 1.472 1.692 0.000 0.000 0.000 3/33600 430.0 0.838 1.442 1.661 0.000 0.000 0.000 3/33600 440.0 0.821 1.414 1.633 0.000 0.000 0.000 3/33600 450.0 0.804 1.387 1.605 0.000 0.000 0.000 3/33600 460.0 0.789 1.361 1.578 0.000 0.000 0.000 3/33600 470.0 0.774 1.337 1.552 0.000 0.000 0.000 3/33600 480.0 0.760 1.313 1.526 0.000 0.000 0.000 3/33600 490.0 0.746 1.289 1.502 0.000 0.000 0.000 3/33600 500.0 0.732 1.267 1.478 0.000 0.000 0.000 3/33600 510.0 0.719 1.245 1.455 0.000 0.000 0.000 3/33600 520.0 0.707 1.225 1.433 0.000 0.000 0.000 3/33600 530.0 0.695 1.204 1.412 0.000 0.000 0.000 3/33600 540.0 0.683 1.185 1.391 0.000 0.000 0.000 3/33600 550.0 0.672 1.166 1.370 0.000 0.000 0.000 3/33600 560.0 0.661 1.148 1.351 0.000 0.000 0.000 3/33600 570.0 0.651 1.130 1.331 0.000 0.000 0.000 3/33600 580.0 0.641 1.113 1.313 0.000 0.000 0.000 3/33600 590.0 0.631 1.096 1.294 0.000 0.000 0.000 3/33600 600.0 0.621 1.080 1.276 0.000 0.000 0.000 3/33600 610.0 0.612 1.064 1.259 0.000 0.000 0.000 3/33600 620.0 0.603 1.049 1.242 0.000 0.000 0.000 3/33600 630.0 0.594 1.034 1.226 0.000 0.000 0.000 3/33600 640.0 0.586 1.019 1.210 0.000 0.000 0.000 3/33600 650.0 0.577 1.005 1.194 0.000 0.000 0.000 3/33600 660.0 0.569 0.992 1.179 0.000 0.000 0.000 3/33600 670.0 0.561 0.978 1.164 0.000 0.000 0.000 3/33600 680.0 0.554 0.965 1.149 0.000 0.000 0.000 3/33600 690.0 0.546 0.953 1.135 0.000 0.000 0.000 3/33600 700.0 0.539 0.940 1.121 0.000 0.000 0.000 3/33600 710.0 0.532 0.928 1.108 0.000 0.000 0.000 3/33600 720.0 0.525 0.916 1.094 0.000 0.000 0.000 3/33600 730.0 0.519 0.905 1.081 0.000 0.000 0.000 3/33600 740.0 0.512 0.894 1.069 0.000 0.000 0.000 3/33600 750.0 0.506 0.883 1.056 0.000 0.000 0.000 3/33600 760.0 0.499 0.872 1.044 0.000 0.000 0.000 3/33600 770.0 0.493 0.862 1.032 0.000 0.000 0.000 3/33600 780.0 0.487 0.852 1.020 0.000 0.000 0.000 3/33600 790.0 0.482 0.842 1.009 0.000 0.000 0.000 3/33600 800.0 0.476 0.832 0.998 0.000 0.000 0.000 3/33600 810.0 0.470 0.822 0.987 0.000 0.000 0.000 3/33600 820.0 0.465 0.813 0.976 0.000 0.000 0.000 3/33600 830.0 0.460 0.804 0.966 0.000 0.000 0.000 3/33600 840.0 0.455 0.795 0.956 0.000 0.000 0.000 3/33600 850.0 0.450 0.786 0.946 0.000 0.000 0.000 3/33600 860.0 0.445 0.778 0.936 0.000 0.000 0.000 3/33600 870.0 0.440 0.770 0.926 0.000 0.000 0.000 3/33600 880.0 0.435 0.761 0.917 0.000 0.000 0.000 3/33600 890.0 0.430 0.753 0.907 0.000 0.000 0.000 3/33600 900.0 0.426 0.746 0.898 0.000 0.000 0.000 3/33600 910.0 0.421 0.738 0.889 0.000 0.000 0.000 3/33600 920.0 0.417 0.730 0.880 0.000 0.000 0.000 3/33600 930.0 0.413 0.723 0.872 0.000 0.000 0.000 3/33600 940.0 0.409 0.716 0.863 0.000 0.000 0.000 3/33600 950.0 0.404 0.709 0.855 0.000 0.000 0.000 3/33600 960.0 0.400 0.702 0.847 0.000 0.000 0.000 3/33600 970.0 0.396 0.695 0.839 0.000 0.000 0.000 3/33600 980.0 0.393 0.688 0.831 0.000 0.000 0.000 3/33600 990.0 0.389 0.682 0.823 0.000 0.000 0.000 3/33600 1000.0 0.385 0.675 0.816 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:34:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|