----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:23:04]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.337150760383247 0.000000000000000 0.000000000000000 b 0.000000000000000 9.815564610000001 0.000000000000000 c -2.485721242550191 0.000000000000000 6.880249191803831 Atomic positions (fractional): *1 F 0.14960345872665 0.38193278728867 0.00933563639965 18.998 2 F 0.85039654127335 0.88193278728867 0.49066436360035 18.998 3 F 0.85039654127335 0.61806721271133 0.99066436360035 18.998 4 F 0.14960345872665 0.11806721271133 0.50933563639965 18.998 *5 F 0.36235964964554 0.21239009424590 0.84065520990877 18.998 6 F 0.63764035035446 0.71239009424590 0.65934479009123 18.998 7 F 0.63764035035446 0.78760990575410 0.15934479009123 18.998 8 F 0.36235964964554 0.28760990575410 0.34065520990877 18.998 *9 F 0.38300857838783 0.60964724493972 0.31609996428903 18.998 10 F 0.61699142161217 0.10964724493972 0.18390003571097 18.998 11 F 0.61699142161217 0.39035275506028 0.68390003571097 18.998 12 F 0.38300857838783 0.89035275506028 0.81609996428903 18.998 *13 F 0.65854726261827 0.36375207826127 0.13928363241145 18.998 14 F 0.34145273738173 0.86375207826127 0.36071636758855 18.998 15 F 0.34145273738173 0.63624792173873 0.86071636758855 18.998 16 F 0.65854726261827 0.13624792173873 0.63928363241145 18.998 *17 F 0.87959641436954 0.62449960648160 0.44402544707384 18.998 18 F 0.12040358563046 0.12449960648161 0.05597455292616 18.998 19 F 0.12040358563046 0.37550039351839 0.55597455292616 18.998 20 F 0.87959641436954 0.87550039351840 0.94402544707384 18.998 *21 Al 0.39598995530692 0.24714246170011 0.09975981796501 26.982 22 Al 0.60401004469308 0.74714246170011 0.40024018203499 26.982 23 Al 0.60401004469308 0.75285753829989 0.90024018203499 26.982 24 Al 0.39598995530692 0.25285753829989 0.59975981796501 26.982 *25 Ca 0.02864702864224 0.01952853903551 0.75489549125804 40.078 26 Ca 0.97135297135776 0.51952853903551 0.74510450874196 40.078 27 Ca 0.97135297135776 0.98047146096449 0.24510450874196 40.078 28 Ca 0.02864702864224 0.48047146096449 0.25489549125804 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.337150760383247 0.000000000000000 0.000000000000000 b 0.000000000000000 9.815564610000001 0.000000000000000 c -2.485721242550191 0.000000000000000 6.880249191803831 Atomic positions (fractional): *1 F 0.14960345872665 0.38193278728867 0.00933563639965 18.998 > 1 2 F 0.85039654127335 0.88193278728867 0.49066436360035 18.998 > 2 3 F 0.85039654127335 0.61806721271133 0.99066436360035 18.998 > 3 4 F 0.14960345872665 0.11806721271133 0.50933563639965 18.998 > 4 *5 F 0.36235964964554 0.21239009424590 0.84065520990877 18.998 > 5 6 F 0.63764035035446 0.71239009424590 0.65934479009123 18.998 > 6 7 F 0.63764035035446 0.78760990575410 0.15934479009123 18.998 > 7 8 F 0.36235964964554 0.28760990575410 0.34065520990877 18.998 > 8 *9 F 0.38300857838783 0.60964724493972 0.31609996428903 18.998 > 9 10 F 0.61699142161217 0.10964724493972 0.18390003571097 18.998 > 10 11 F 0.61699142161217 0.39035275506028 0.68390003571097 18.998 > 11 12 F 0.38300857838783 0.89035275506028 0.81609996428903 18.998 > 12 *13 F 0.65854726261827 0.36375207826127 0.13928363241145 18.998 > 13 14 F 0.34145273738173 0.86375207826127 0.36071636758855 18.998 > 14 15 F 0.34145273738173 0.63624792173873 0.86071636758855 18.998 > 15 16 F 0.65854726261827 0.13624792173873 0.63928363241145 18.998 > 16 *17 F 0.87959641436954 0.62449960648160 0.44402544707384 18.998 > 17 18 F 0.12040358563046 0.12449960648161 0.05597455292616 18.998 > 18 19 F 0.12040358563046 0.37550039351839 0.55597455292616 18.998 > 19 20 F 0.87959641436954 0.87550039351840 0.94402544707384 18.998 > 20 *21 Al 0.39598995530692 0.24714246170011 0.09975981796501 26.982 > 21 22 Al 0.60401004469308 0.74714246170011 0.40024018203499 26.982 > 22 23 Al 0.60401004469308 0.75285753829989 0.90024018203499 26.982 > 23 24 Al 0.39598995530692 0.25285753829989 0.59975981796501 26.982 > 24 *25 Ca 0.02864702864224 0.01952853903551 0.75489549125804 40.078 > 25 26 Ca 0.97135297135776 0.51952853903551 0.74510450874196 40.078 > 26 27 Ca 0.97135297135776 0.98047146096449 0.24510450874196 40.078 > 27 28 Ca 0.02864702864224 0.48047146096449 0.25489549125804 40.078 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.674301520766495 0.000000000000000 0.000000000000000 b 0.000000000000000 9.815564610000001 0.000000000000000 c -4.971442485100382 0.000000000000000 13.760498383607661 Atomic positions (fractional): *1 F 0.07480172936332 0.38193278728867 0.00466781819983 18.998 > 1 2 F 0.57480172936332 0.38193278728867 0.00466781819983 18.998 > 1 3 F 0.07480172936332 0.38193278728867 0.50466781819982 18.998 > 1 4 F 0.57480172936332 0.38193278728867 0.50466781819982 18.998 > 1 5 F 0.42519827063668 0.88193278728867 0.24533218180017 18.998 > 2 6 F 0.92519827063668 0.88193278728867 0.24533218180017 18.998 > 2 7 F 0.42519827063668 0.88193278728867 0.74533218180018 18.998 > 2 8 F 0.92519827063668 0.88193278728867 0.74533218180018 18.998 > 2 9 F 0.42519827063668 0.61806721271133 0.49533218180018 18.998 > 3 10 F 0.92519827063668 0.61806721271133 0.49533218180018 18.998 > 3 11 F 0.42519827063668 0.61806721271133 0.99533218180018 18.998 > 3 12 F 0.92519827063668 0.61806721271133 0.99533218180018 18.998 > 3 13 F 0.07480172936332 0.11806721271133 0.25466781819982 18.998 > 4 14 F 0.57480172936332 0.11806721271133 0.25466781819982 18.998 > 4 15 F 0.07480172936332 0.11806721271133 0.75466781819982 18.998 > 4 16 F 0.57480172936332 0.11806721271133 0.75466781819982 18.998 > 4 *17 F 0.18117982482277 0.21239009424590 0.42032760495438 18.998 > 5 18 F 0.68117982482277 0.21239009424590 0.42032760495438 18.998 > 5 19 F 0.18117982482277 0.21239009424590 0.92032760495438 18.998 > 5 20 F 0.68117982482277 0.21239009424590 0.92032760495438 18.998 > 5 21 F 0.31882017517723 0.71239009424590 0.32967239504562 18.998 > 6 22 F 0.81882017517723 0.71239009424590 0.32967239504562 18.998 > 6 23 F 0.31882017517723 0.71239009424590 0.82967239504562 18.998 > 6 24 F 0.81882017517723 0.71239009424590 0.82967239504562 18.998 > 6 25 F 0.31882017517723 0.78760990575410 0.07967239504562 18.998 > 7 26 F 0.81882017517723 0.78760990575410 0.07967239504562 18.998 > 7 27 F 0.31882017517723 0.78760990575410 0.57967239504561 18.998 > 7 28 F 0.81882017517723 0.78760990575410 0.57967239504561 18.998 > 7 29 F 0.18117982482277 0.28760990575410 0.17032760495439 18.998 > 8 30 F 0.68117982482277 0.28760990575410 0.17032760495439 18.998 > 8 31 F 0.18117982482277 0.28760990575410 0.67032760495439 18.998 > 8 32 F 0.68117982482277 0.28760990575410 0.67032760495439 18.998 > 8 *33 F 0.19150428919391 0.60964724493972 0.15804998214451 18.998 > 9 34 F 0.69150428919391 0.60964724493972 0.15804998214451 18.998 > 9 35 F 0.19150428919391 0.60964724493972 0.65804998214451 18.998 > 9 36 F 0.69150428919391 0.60964724493972 0.65804998214451 18.998 > 9 37 F 0.30849571080609 0.10964724493972 0.09195001785548 18.998 > 10 38 F 0.80849571080609 0.10964724493972 0.09195001785548 18.998 > 10 39 F 0.30849571080609 0.10964724493972 0.59195001785548 18.998 > 10 40 F 0.80849571080609 0.10964724493972 0.59195001785548 18.998 > 10 41 F 0.30849571080609 0.39035275506028 0.34195001785549 18.998 > 11 42 F 0.80849571080609 0.39035275506028 0.34195001785549 18.998 > 11 43 F 0.30849571080609 0.39035275506028 0.84195001785549 18.998 > 11 44 F 0.80849571080609 0.39035275506028 0.84195001785549 18.998 > 11 45 F 0.19150428919391 0.89035275506028 0.40804998214451 18.998 > 12 46 F 0.69150428919391 0.89035275506028 0.40804998214451 18.998 > 12 47 F 0.19150428919391 0.89035275506028 0.90804998214451 18.998 > 12 48 F 0.69150428919391 0.89035275506028 0.90804998214451 18.998 > 12 *49 F 0.32927363130914 0.36375207826127 0.06964181620573 18.998 > 13 50 F 0.82927363130914 0.36375207826127 0.06964181620573 18.998 > 13 51 F 0.32927363130914 0.36375207826127 0.56964181620573 18.998 > 13 52 F 0.82927363130914 0.36375207826127 0.56964181620573 18.998 > 13 53 F 0.17072636869086 0.86375207826127 0.18035818379427 18.998 > 14 54 F 0.67072636869086 0.86375207826127 0.18035818379427 18.998 > 14 55 F 0.17072636869086 0.86375207826127 0.68035818379427 18.998 > 14 56 F 0.67072636869086 0.86375207826127 0.68035818379427 18.998 > 14 57 F 0.17072636869086 0.63624792173873 0.43035818379427 18.998 > 15 58 F 0.67072636869086 0.63624792173873 0.43035818379427 18.998 > 15 59 F 0.17072636869086 0.63624792173873 0.93035818379427 18.998 > 15 60 F 0.67072636869086 0.63624792173873 0.93035818379427 18.998 > 15 61 F 0.32927363130914 0.13624792173873 0.31964181620573 18.998 > 16 62 F 0.82927363130914 0.13624792173873 0.31964181620573 18.998 > 16 63 F 0.32927363130914 0.13624792173873 0.81964181620573 18.998 > 16 64 F 0.82927363130914 0.13624792173873 0.81964181620573 18.998 > 16 *65 F 0.43979820718477 0.62449960648160 0.22201272353692 18.998 > 17 66 F 0.93979820718477 0.62449960648160 0.22201272353692 18.998 > 17 67 F 0.43979820718477 0.62449960648160 0.72201272353692 18.998 > 17 68 F 0.93979820718477 0.62449960648160 0.72201272353692 18.998 > 17 69 F 0.06020179281523 0.12449960648161 0.02798727646308 18.998 > 18 70 F 0.56020179281523 0.12449960648161 0.02798727646308 18.998 > 18 71 F 0.06020179281523 0.12449960648161 0.52798727646308 18.998 > 18 72 F 0.56020179281523 0.12449960648161 0.52798727646308 18.998 > 18 73 F 0.06020179281523 0.37550039351839 0.27798727646308 18.998 > 19 74 F 0.56020179281523 0.37550039351839 0.27798727646308 18.998 > 19 75 F 0.06020179281523 0.37550039351839 0.77798727646308 18.998 > 19 76 F 0.56020179281523 0.37550039351839 0.77798727646308 18.998 > 19 77 F 0.43979820718477 0.87550039351840 0.47201272353692 18.998 > 20 78 F 0.93979820718477 0.87550039351840 0.47201272353692 18.998 > 20 79 F 0.43979820718477 0.87550039351840 0.97201272353692 18.998 > 20 80 F 0.93979820718477 0.87550039351840 0.97201272353692 18.998 > 20 *81 Al 0.19799497765346 0.24714246170011 0.04987990898250 26.982 > 21 82 Al 0.69799497765346 0.24714246170011 0.04987990898250 26.982 > 21 83 Al 0.19799497765346 0.24714246170011 0.54987990898250 26.982 > 21 84 Al 0.69799497765346 0.24714246170011 0.54987990898250 26.982 > 21 85 Al 0.30200502234654 0.74714246170011 0.20012009101750 26.982 > 22 86 Al 0.80200502234654 0.74714246170011 0.20012009101750 26.982 > 22 87 Al 0.30200502234654 0.74714246170011 0.70012009101750 26.982 > 22 88 Al 0.80200502234654 0.74714246170011 0.70012009101750 26.982 > 22 89 Al 0.30200502234654 0.75285753829989 0.45012009101750 26.982 > 23 90 Al 0.80200502234654 0.75285753829989 0.45012009101750 26.982 > 23 91 Al 0.30200502234654 0.75285753829989 0.95012009101750 26.982 > 23 92 Al 0.80200502234654 0.75285753829989 0.95012009101750 26.982 > 23 93 Al 0.19799497765346 0.25285753829989 0.29987990898250 26.982 > 24 94 Al 0.69799497765346 0.25285753829989 0.29987990898250 26.982 > 24 95 Al 0.19799497765346 0.25285753829989 0.79987990898250 26.982 > 24 96 Al 0.69799497765346 0.25285753829989 0.79987990898250 26.982 > 24 *97 Ca 0.01432351432112 0.01952853903551 0.37744774562902 40.078 > 25 98 Ca 0.51432351432112 0.01952853903551 0.37744774562902 40.078 > 25 99 Ca 0.01432351432112 0.01952853903551 0.87744774562902 40.078 > 25 100 Ca 0.51432351432112 0.01952853903551 0.87744774562902 40.078 > 25 101 Ca 0.48567648567888 0.51952853903551 0.37255225437098 40.078 > 26 102 Ca 0.98567648567888 0.51952853903551 0.37255225437098 40.078 > 26 103 Ca 0.48567648567888 0.51952853903551 0.87255225437098 40.078 > 26 104 Ca 0.98567648567888 0.51952853903551 0.87255225437098 40.078 > 26 105 Ca 0.48567648567888 0.98047146096449 0.12255225437098 40.078 > 27 106 Ca 0.98567648567888 0.98047146096449 0.12255225437098 40.078 > 27 107 Ca 0.48567648567888 0.98047146096449 0.62255225437098 40.078 > 27 108 Ca 0.98567648567888 0.98047146096449 0.62255225437098 40.078 > 27 109 Ca 0.01432351432112 0.48047146096449 0.12744774562902 40.078 > 28 110 Ca 0.51432351432112 0.48047146096449 0.12744774562902 40.078 > 28 111 Ca 0.01432351432112 0.48047146096449 0.62744774562902 40.078 > 28 112 Ca 0.51432351432112 0.48047146096449 0.62744774562902 40.078 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0564249 0.0000000 -0.0047916 0.0000000 2.0500639 0.0000000 -0.0047913 0.0000000 2.0689785 -------------------------- Born effective charges -------------------------- 1 F -0.9444683 0.3037929 0.0093000 0.3031199 -1.1238503 0.1753647 0.0096994 0.1680520 -1.1536174 2 F -0.9444683 -0.3037929 0.0093000 -0.3031199 -1.1238503 -0.1753647 0.0096994 -0.1680520 -1.1536174 3 F -0.9444683 0.3037929 0.0093000 0.3031199 -1.1238503 0.1753647 0.0096994 0.1680520 -1.1536174 4 F -0.9444683 -0.3037929 0.0093000 -0.3031199 -1.1238503 -0.1753647 0.0096994 -0.1680520 -1.1536174 5 F -0.8615408 -0.1134596 0.2542048 -0.1115228 -0.8496242 -0.0258869 0.2536236 -0.0232330 -1.4797032 6 F -0.8615408 0.1134596 0.2542048 0.1115228 -0.8496242 0.0258869 0.2536236 0.0232330 -1.4797032 7 F -0.8615408 -0.1134596 0.2542048 -0.1115228 -0.8496242 -0.0258869 0.2536236 -0.0232330 -1.4797032 8 F -0.8615408 0.1134596 0.2542048 0.1115228 -0.8496242 0.0258869 0.2536236 0.0232330 -1.4797032 9 F -1.1709548 -0.3929534 -0.1608555 -0.3831226 -1.1474044 -0.1456922 -0.1748696 -0.1562105 -0.7974577 10 F -1.1709548 0.3929534 -0.1608555 0.3831226 -1.1474044 0.1456922 -0.1748696 0.1562105 -0.7974577 11 F -1.1709548 -0.3929534 -0.1608555 -0.3831226 -1.1474044 -0.1456922 -0.1748696 -0.1562105 -0.7974577 12 F -1.1709548 0.3929534 -0.1608555 0.3831226 -1.1474044 0.1456922 -0.1748696 0.1562105 -0.7974577 13 F -1.2745098 -0.3911457 -0.1927054 -0.3919431 -1.0466390 -0.1390978 -0.1783428 -0.1334448 -0.7958290 14 F -1.2745098 0.3911457 -0.1927054 0.3919431 -1.0466390 0.1390978 -0.1783428 0.1334448 -0.7958290 15 F -1.2745098 -0.3911457 -0.1927054 -0.3919431 -1.0466390 -0.1390978 -0.1783428 -0.1334448 -0.7958290 16 F -1.2745098 0.3911457 -0.1927054 0.3919431 -1.0466390 0.1390978 -0.1783428 0.1334448 -0.7958290 17 F -1.0385311 0.3209579 0.0929315 0.3229832 -1.0952675 0.0629950 0.0953108 0.0647973 -1.0835170 18 F -1.0385311 -0.3209579 0.0929315 -0.3229832 -1.0952675 -0.0629950 0.0953108 -0.0647973 -1.0835170 19 F -1.0385311 0.3209579 0.0929315 0.3229832 -1.0952675 0.0629950 0.0953108 0.0647973 -1.0835170 20 F -1.0385311 -0.3209579 0.0929315 -0.3229832 -1.0952675 -0.0629950 0.0953108 -0.0647973 -1.0835170 21 Al 2.8913152 -0.0560101 -0.0063345 -0.0042351 2.9408136 0.0369155 -0.0108096 0.0970193 2.9166678 22 Al 2.8913152 0.0560101 -0.0063345 0.0042351 2.9408136 -0.0369155 -0.0108096 -0.0970193 2.9166678 23 Al 2.8913152 -0.0560101 -0.0063345 -0.0042351 2.9408136 0.0369155 -0.0108096 0.0970193 2.9166678 24 Al 2.8913152 0.0560101 -0.0063345 0.0042351 2.9408136 -0.0369155 -0.0108096 -0.0970193 2.9166678 25 Ca 2.3986895 -0.0338200 0.0034591 -0.0930599 2.3219718 -0.0256814 0.0053881 -0.0082014 2.3934565 26 Ca 2.3986895 0.0338200 0.0034591 0.0930599 2.3219718 0.0256814 0.0053881 0.0082014 2.3934565 27 Ca 2.3986895 -0.0338200 0.0034591 -0.0930599 2.3219718 -0.0256814 0.0053881 -0.0082014 2.3934565 28 Ca 2.3986895 0.0338200 0.0034591 0.0930599 2.3219718 0.0256814 0.0053881 0.0082014 2.3934565 ---------------------------------------------------------------------------- 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: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 880 - Time: 0.994 Solver_block: 200 / 880 - Time: 0.898 Solver_block: 300 / 880 - Time: 0.899 Solver_block: 400 / 880 - Time: 0.901 Solver_block: 500 / 880 - Time: 0.901 Solver_block: 600 / 880 - Time: 0.903 Solver_block: 700 / 880 - Time: 0.902 Solver_block: 800 / 880 - Time: 0.902 Solver_block: 880 / 880 - Time: 0.806 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.293 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) 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: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yx) 0.00000000 (yx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:23:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:23:55]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.337150760383247 0.000000000000000 0.000000000000000 b 0.000000000000000 9.815564610000001 0.000000000000000 c -2.485721242550191 0.000000000000000 6.880249191803831 Atomic positions (fractional): 1 F 0.14960345872665 0.38193278728867 0.00933563639965 18.998 2 F 0.85039654127335 0.88193278728867 0.49066436360035 18.998 3 F 0.85039654127335 0.61806721271133 0.99066436360035 18.998 4 F 0.14960345872665 0.11806721271133 0.50933563639965 18.998 5 F 0.36235964964554 0.21239009424590 0.84065520990877 18.998 6 F 0.63764035035446 0.71239009424590 0.65934479009123 18.998 7 F 0.63764035035446 0.78760990575410 0.15934479009123 18.998 8 F 0.36235964964554 0.28760990575410 0.34065520990877 18.998 9 F 0.38300857838783 0.60964724493972 0.31609996428903 18.998 10 F 0.61699142161217 0.10964724493972 0.18390003571097 18.998 11 F 0.61699142161217 0.39035275506028 0.68390003571097 18.998 12 F 0.38300857838783 0.89035275506028 0.81609996428903 18.998 13 F 0.65854726261827 0.36375207826127 0.13928363241145 18.998 14 F 0.34145273738173 0.86375207826127 0.36071636758855 18.998 15 F 0.34145273738173 0.63624792173873 0.86071636758855 18.998 16 F 0.65854726261827 0.13624792173873 0.63928363241145 18.998 17 F 0.87959641436954 0.62449960648160 0.44402544707384 18.998 18 F 0.12040358563046 0.12449960648161 0.05597455292616 18.998 19 F 0.12040358563046 0.37550039351839 0.55597455292616 18.998 20 F 0.87959641436954 0.87550039351840 0.94402544707384 18.998 21 Al 0.39598995530692 0.24714246170011 0.09975981796501 26.982 22 Al 0.60401004469308 0.74714246170011 0.40024018203499 26.982 23 Al 0.60401004469308 0.75285753829989 0.90024018203499 26.982 24 Al 0.39598995530692 0.25285753829989 0.59975981796501 26.982 25 Ca 0.02864702864224 0.01952853903551 0.75489549125804 40.078 26 Ca 0.97135297135776 0.51952853903551 0.74510450874196 40.078 27 Ca 0.97135297135776 0.98047146096449 0.24510450874196 40.078 28 Ca 0.02864702864224 0.48047146096449 0.25489549125804 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.674301520766495 0.000000000000000 0.000000000000000 b 0.000000000000000 9.815564610000001 0.000000000000000 c -4.971442485100382 0.000000000000000 13.760498383607661 Atomic positions (fractional): 1 F 0.07480172936332 0.38193278728867 0.00466781819983 18.998 > 1 2 F 0.57480172936332 0.38193278728867 0.00466781819983 18.998 > 1 3 F 0.07480172936332 0.38193278728867 0.50466781819982 18.998 > 1 4 F 0.57480172936332 0.38193278728867 0.50466781819982 18.998 > 1 5 F 0.42519827063668 0.88193278728867 0.24533218180017 18.998 > 5 6 F 0.92519827063668 0.88193278728867 0.24533218180017 18.998 > 5 7 F 0.42519827063668 0.88193278728867 0.74533218180018 18.998 > 5 8 F 0.92519827063668 0.88193278728867 0.74533218180018 18.998 > 5 9 F 0.42519827063668 0.61806721271133 0.49533218180018 18.998 > 9 10 F 0.92519827063668 0.61806721271133 0.49533218180018 18.998 > 9 11 F 0.42519827063668 0.61806721271133 0.99533218180018 18.998 > 9 12 F 0.92519827063668 0.61806721271133 0.99533218180018 18.998 > 9 13 F 0.07480172936332 0.11806721271133 0.25466781819982 18.998 > 13 14 F 0.57480172936332 0.11806721271133 0.25466781819982 18.998 > 13 15 F 0.07480172936332 0.11806721271133 0.75466781819982 18.998 > 13 16 F 0.57480172936332 0.11806721271133 0.75466781819982 18.998 > 13 17 F 0.18117982482277 0.21239009424590 0.42032760495438 18.998 > 17 18 F 0.68117982482277 0.21239009424590 0.42032760495438 18.998 > 17 19 F 0.18117982482277 0.21239009424590 0.92032760495438 18.998 > 17 20 F 0.68117982482277 0.21239009424590 0.92032760495438 18.998 > 17 21 F 0.31882017517723 0.71239009424590 0.32967239504562 18.998 > 21 22 F 0.81882017517723 0.71239009424590 0.32967239504562 18.998 > 21 23 F 0.31882017517723 0.71239009424590 0.82967239504562 18.998 > 21 24 F 0.81882017517723 0.71239009424590 0.82967239504562 18.998 > 21 25 F 0.31882017517723 0.78760990575410 0.07967239504562 18.998 > 25 26 F 0.81882017517723 0.78760990575410 0.07967239504562 18.998 > 25 27 F 0.31882017517723 0.78760990575410 0.57967239504561 18.998 > 25 28 F 0.81882017517723 0.78760990575410 0.57967239504561 18.998 > 25 29 F 0.18117982482277 0.28760990575410 0.17032760495439 18.998 > 29 30 F 0.68117982482277 0.28760990575410 0.17032760495439 18.998 > 29 31 F 0.18117982482277 0.28760990575410 0.67032760495439 18.998 > 29 32 F 0.68117982482277 0.28760990575410 0.67032760495439 18.998 > 29 33 F 0.19150428919391 0.60964724493972 0.15804998214451 18.998 > 33 34 F 0.69150428919391 0.60964724493972 0.15804998214451 18.998 > 33 35 F 0.19150428919391 0.60964724493972 0.65804998214451 18.998 > 33 36 F 0.69150428919391 0.60964724493972 0.65804998214451 18.998 > 33 37 F 0.30849571080609 0.10964724493972 0.09195001785548 18.998 > 37 38 F 0.80849571080609 0.10964724493972 0.09195001785548 18.998 > 37 39 F 0.30849571080609 0.10964724493972 0.59195001785548 18.998 > 37 40 F 0.80849571080609 0.10964724493972 0.59195001785548 18.998 > 37 41 F 0.30849571080609 0.39035275506028 0.34195001785549 18.998 > 41 42 F 0.80849571080609 0.39035275506028 0.34195001785549 18.998 > 41 43 F 0.30849571080609 0.39035275506028 0.84195001785549 18.998 > 41 44 F 0.80849571080609 0.39035275506028 0.84195001785549 18.998 > 41 45 F 0.19150428919391 0.89035275506028 0.40804998214451 18.998 > 45 46 F 0.69150428919391 0.89035275506028 0.40804998214451 18.998 > 45 47 F 0.19150428919391 0.89035275506028 0.90804998214451 18.998 > 45 48 F 0.69150428919391 0.89035275506028 0.90804998214451 18.998 > 45 49 F 0.32927363130914 0.36375207826127 0.06964181620573 18.998 > 49 50 F 0.82927363130914 0.36375207826127 0.06964181620573 18.998 > 49 51 F 0.32927363130914 0.36375207826127 0.56964181620573 18.998 > 49 52 F 0.82927363130914 0.36375207826127 0.56964181620573 18.998 > 49 53 F 0.17072636869086 0.86375207826127 0.18035818379427 18.998 > 53 54 F 0.67072636869086 0.86375207826127 0.18035818379427 18.998 > 53 55 F 0.17072636869086 0.86375207826127 0.68035818379427 18.998 > 53 56 F 0.67072636869086 0.86375207826127 0.68035818379427 18.998 > 53 57 F 0.17072636869086 0.63624792173873 0.43035818379427 18.998 > 57 58 F 0.67072636869086 0.63624792173873 0.43035818379427 18.998 > 57 59 F 0.17072636869086 0.63624792173873 0.93035818379427 18.998 > 57 60 F 0.67072636869086 0.63624792173873 0.93035818379427 18.998 > 57 61 F 0.32927363130914 0.13624792173873 0.31964181620573 18.998 > 61 62 F 0.82927363130914 0.13624792173873 0.31964181620573 18.998 > 61 63 F 0.32927363130914 0.13624792173873 0.81964181620573 18.998 > 61 64 F 0.82927363130914 0.13624792173873 0.81964181620573 18.998 > 61 65 F 0.43979820718477 0.62449960648160 0.22201272353692 18.998 > 65 66 F 0.93979820718477 0.62449960648160 0.22201272353692 18.998 > 65 67 F 0.43979820718477 0.62449960648160 0.72201272353692 18.998 > 65 68 F 0.93979820718477 0.62449960648160 0.72201272353692 18.998 > 65 69 F 0.06020179281523 0.12449960648161 0.02798727646308 18.998 > 69 70 F 0.56020179281523 0.12449960648161 0.02798727646308 18.998 > 69 71 F 0.06020179281523 0.12449960648161 0.52798727646308 18.998 > 69 72 F 0.56020179281523 0.12449960648161 0.52798727646308 18.998 > 69 73 F 0.06020179281523 0.37550039351839 0.27798727646308 18.998 > 73 74 F 0.56020179281523 0.37550039351839 0.27798727646308 18.998 > 73 75 F 0.06020179281523 0.37550039351839 0.77798727646308 18.998 > 73 76 F 0.56020179281523 0.37550039351839 0.77798727646308 18.998 > 73 77 F 0.43979820718477 0.87550039351840 0.47201272353692 18.998 > 77 78 F 0.93979820718477 0.87550039351840 0.47201272353692 18.998 > 77 79 F 0.43979820718477 0.87550039351840 0.97201272353692 18.998 > 77 80 F 0.93979820718477 0.87550039351840 0.97201272353692 18.998 > 77 81 Al 0.19799497765346 0.24714246170011 0.04987990898250 26.982 > 81 82 Al 0.69799497765346 0.24714246170011 0.04987990898250 26.982 > 81 83 Al 0.19799497765346 0.24714246170011 0.54987990898250 26.982 > 81 84 Al 0.69799497765346 0.24714246170011 0.54987990898250 26.982 > 81 85 Al 0.30200502234654 0.74714246170011 0.20012009101750 26.982 > 85 86 Al 0.80200502234654 0.74714246170011 0.20012009101750 26.982 > 85 87 Al 0.30200502234654 0.74714246170011 0.70012009101750 26.982 > 85 88 Al 0.80200502234654 0.74714246170011 0.70012009101750 26.982 > 85 89 Al 0.30200502234654 0.75285753829989 0.45012009101750 26.982 > 89 90 Al 0.80200502234654 0.75285753829989 0.45012009101750 26.982 > 89 91 Al 0.30200502234654 0.75285753829989 0.95012009101750 26.982 > 89 92 Al 0.80200502234654 0.75285753829989 0.95012009101750 26.982 > 89 93 Al 0.19799497765346 0.25285753829989 0.29987990898250 26.982 > 93 94 Al 0.69799497765346 0.25285753829989 0.29987990898250 26.982 > 93 95 Al 0.19799497765346 0.25285753829989 0.79987990898250 26.982 > 93 96 Al 0.69799497765346 0.25285753829989 0.79987990898250 26.982 > 93 97 Ca 0.01432351432112 0.01952853903551 0.37744774562902 40.078 > 97 98 Ca 0.51432351432112 0.01952853903551 0.37744774562902 40.078 > 97 99 Ca 0.01432351432112 0.01952853903551 0.87744774562902 40.078 > 97 100 Ca 0.51432351432112 0.01952853903551 0.87744774562902 40.078 > 97 101 Ca 0.48567648567888 0.51952853903551 0.37255225437098 40.078 > 101 102 Ca 0.98567648567888 0.51952853903551 0.37255225437098 40.078 > 101 103 Ca 0.48567648567888 0.51952853903551 0.87255225437098 40.078 > 101 104 Ca 0.98567648567888 0.51952853903551 0.87255225437098 40.078 > 101 105 Ca 0.48567648567888 0.98047146096449 0.12255225437098 40.078 > 105 106 Ca 0.98567648567888 0.98047146096449 0.12255225437098 40.078 > 105 107 Ca 0.48567648567888 0.98047146096449 0.62255225437098 40.078 > 105 108 Ca 0.98567648567888 0.98047146096449 0.62255225437098 40.078 > 105 109 Ca 0.01432351432112 0.48047146096449 0.12744774562902 40.078 > 109 110 Ca 0.51432351432112 0.48047146096449 0.12744774562902 40.078 > 109 111 Ca 0.01432351432112 0.48047146096449 0.62744774562902 40.078 > 109 112 Ca 0.51432351432112 0.48047146096449 0.62744774562902 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0564249 0.0000000 -0.0047916 0.0000000 2.0500639 0.0000000 -0.0047913 0.0000000 2.0689785 -------------------------- Born effective charges -------------------------- 1 F -0.9444683 0.3037929 0.0093000 0.3031199 -1.1238503 0.1753647 0.0096994 0.1680520 -1.1536174 2 F -0.9444683 -0.3037929 0.0093000 -0.3031199 -1.1238503 -0.1753647 0.0096994 -0.1680520 -1.1536174 3 F -0.9444683 0.3037929 0.0093000 0.3031199 -1.1238503 0.1753647 0.0096994 0.1680520 -1.1536174 4 F -0.9444683 -0.3037929 0.0093000 -0.3031199 -1.1238503 -0.1753647 0.0096994 -0.1680520 -1.1536174 5 F -0.8615408 -0.1134596 0.2542048 -0.1115228 -0.8496242 -0.0258869 0.2536236 -0.0232330 -1.4797032 6 F -0.8615408 0.1134596 0.2542048 0.1115228 -0.8496242 0.0258869 0.2536236 0.0232330 -1.4797032 7 F -0.8615408 -0.1134596 0.2542048 -0.1115228 -0.8496242 -0.0258869 0.2536236 -0.0232330 -1.4797032 8 F -0.8615408 0.1134596 0.2542048 0.1115228 -0.8496242 0.0258869 0.2536236 0.0232330 -1.4797032 9 F -1.1709548 -0.3929534 -0.1608555 -0.3831226 -1.1474044 -0.1456922 -0.1748696 -0.1562105 -0.7974577 10 F -1.1709548 0.3929534 -0.1608555 0.3831226 -1.1474044 0.1456922 -0.1748696 0.1562105 -0.7974577 11 F -1.1709548 -0.3929534 -0.1608555 -0.3831226 -1.1474044 -0.1456922 -0.1748696 -0.1562105 -0.7974577 12 F -1.1709548 0.3929534 -0.1608555 0.3831226 -1.1474044 0.1456922 -0.1748696 0.1562105 -0.7974577 13 F -1.2745098 -0.3911457 -0.1927054 -0.3919431 -1.0466390 -0.1390978 -0.1783428 -0.1334448 -0.7958290 14 F -1.2745098 0.3911457 -0.1927054 0.3919431 -1.0466390 0.1390978 -0.1783428 0.1334448 -0.7958290 15 F -1.2745098 -0.3911457 -0.1927054 -0.3919431 -1.0466390 -0.1390978 -0.1783428 -0.1334448 -0.7958290 16 F -1.2745098 0.3911457 -0.1927054 0.3919431 -1.0466390 0.1390978 -0.1783428 0.1334448 -0.7958290 17 F -1.0385311 0.3209579 0.0929315 0.3229832 -1.0952675 0.0629950 0.0953108 0.0647973 -1.0835170 18 F -1.0385311 -0.3209579 0.0929315 -0.3229832 -1.0952675 -0.0629950 0.0953108 -0.0647973 -1.0835170 19 F -1.0385311 0.3209579 0.0929315 0.3229832 -1.0952675 0.0629950 0.0953108 0.0647973 -1.0835170 20 F -1.0385311 -0.3209579 0.0929315 -0.3229832 -1.0952675 -0.0629950 0.0953108 -0.0647973 -1.0835170 21 Al 2.8913152 -0.0560101 -0.0063345 -0.0042351 2.9408136 0.0369155 -0.0108096 0.0970193 2.9166678 22 Al 2.8913152 0.0560101 -0.0063345 0.0042351 2.9408136 -0.0369155 -0.0108096 -0.0970193 2.9166678 23 Al 2.8913152 -0.0560101 -0.0063345 -0.0042351 2.9408136 0.0369155 -0.0108096 0.0970193 2.9166678 24 Al 2.8913152 0.0560101 -0.0063345 0.0042351 2.9408136 -0.0369155 -0.0108096 -0.0970193 2.9166678 25 Ca 2.3986895 -0.0338200 0.0034591 -0.0930599 2.3219718 -0.0256814 0.0053881 -0.0082014 2.3934565 26 Ca 2.3986895 0.0338200 0.0034591 0.0930599 2.3219718 0.0256814 0.0053881 0.0082014 2.3934565 27 Ca 2.3986895 -0.0338200 0.0034591 -0.0930599 2.3219718 -0.0256814 0.0053881 -0.0082014 2.3934565 28 Ca 2.3986895 0.0338200 0.0034591 0.0930599 2.3219718 0.0256814 0.0053881 0.0082014 2.3934565 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 33, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:24:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:24:31]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.337150760383247 0.000000000000000 0.000000000000000 b 0.000000000000000 9.815564610000001 0.000000000000000 c -2.485721242550191 0.000000000000000 6.880249191803831 Atomic positions (fractional): 1 F 0.14960345872665 0.38193278728867 0.00933563639965 18.998 2 F 0.85039654127335 0.88193278728867 0.49066436360035 18.998 3 F 0.85039654127335 0.61806721271133 0.99066436360035 18.998 4 F 0.14960345872665 0.11806721271133 0.50933563639965 18.998 5 F 0.36235964964554 0.21239009424590 0.84065520990877 18.998 6 F 0.63764035035446 0.71239009424590 0.65934479009123 18.998 7 F 0.63764035035446 0.78760990575410 0.15934479009123 18.998 8 F 0.36235964964554 0.28760990575410 0.34065520990877 18.998 9 F 0.38300857838783 0.60964724493972 0.31609996428903 18.998 10 F 0.61699142161217 0.10964724493972 0.18390003571097 18.998 11 F 0.61699142161217 0.39035275506028 0.68390003571097 18.998 12 F 0.38300857838783 0.89035275506028 0.81609996428903 18.998 13 F 0.65854726261827 0.36375207826127 0.13928363241145 18.998 14 F 0.34145273738173 0.86375207826127 0.36071636758855 18.998 15 F 0.34145273738173 0.63624792173873 0.86071636758855 18.998 16 F 0.65854726261827 0.13624792173873 0.63928363241145 18.998 17 F 0.87959641436954 0.62449960648160 0.44402544707384 18.998 18 F 0.12040358563046 0.12449960648161 0.05597455292616 18.998 19 F 0.12040358563046 0.37550039351839 0.55597455292616 18.998 20 F 0.87959641436954 0.87550039351840 0.94402544707384 18.998 21 Al 0.39598995530692 0.24714246170011 0.09975981796501 26.982 22 Al 0.60401004469308 0.74714246170011 0.40024018203499 26.982 23 Al 0.60401004469308 0.75285753829989 0.90024018203499 26.982 24 Al 0.39598995530692 0.25285753829989 0.59975981796501 26.982 25 Ca 0.02864702864224 0.01952853903551 0.75489549125804 40.078 26 Ca 0.97135297135776 0.51952853903551 0.74510450874196 40.078 27 Ca 0.97135297135776 0.98047146096449 0.24510450874196 40.078 28 Ca 0.02864702864224 0.48047146096449 0.25489549125804 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.674301520766495 0.000000000000000 0.000000000000000 b 0.000000000000000 9.815564610000001 0.000000000000000 c -4.971442485100382 0.000000000000000 13.760498383607661 Atomic positions (fractional): 1 F 0.07480172936332 0.38193278728867 0.00466781819983 18.998 > 1 2 F 0.57480172936332 0.38193278728867 0.00466781819983 18.998 > 1 3 F 0.07480172936332 0.38193278728867 0.50466781819982 18.998 > 1 4 F 0.57480172936332 0.38193278728867 0.50466781819982 18.998 > 1 5 F 0.42519827063668 0.88193278728867 0.24533218180017 18.998 > 5 6 F 0.92519827063668 0.88193278728867 0.24533218180017 18.998 > 5 7 F 0.42519827063668 0.88193278728867 0.74533218180018 18.998 > 5 8 F 0.92519827063668 0.88193278728867 0.74533218180018 18.998 > 5 9 F 0.42519827063668 0.61806721271133 0.49533218180018 18.998 > 9 10 F 0.92519827063668 0.61806721271133 0.49533218180018 18.998 > 9 11 F 0.42519827063668 0.61806721271133 0.99533218180018 18.998 > 9 12 F 0.92519827063668 0.61806721271133 0.99533218180018 18.998 > 9 13 F 0.07480172936332 0.11806721271133 0.25466781819982 18.998 > 13 14 F 0.57480172936332 0.11806721271133 0.25466781819982 18.998 > 13 15 F 0.07480172936332 0.11806721271133 0.75466781819982 18.998 > 13 16 F 0.57480172936332 0.11806721271133 0.75466781819982 18.998 > 13 17 F 0.18117982482277 0.21239009424590 0.42032760495438 18.998 > 17 18 F 0.68117982482277 0.21239009424590 0.42032760495438 18.998 > 17 19 F 0.18117982482277 0.21239009424590 0.92032760495438 18.998 > 17 20 F 0.68117982482277 0.21239009424590 0.92032760495438 18.998 > 17 21 F 0.31882017517723 0.71239009424590 0.32967239504562 18.998 > 21 22 F 0.81882017517723 0.71239009424590 0.32967239504562 18.998 > 21 23 F 0.31882017517723 0.71239009424590 0.82967239504562 18.998 > 21 24 F 0.81882017517723 0.71239009424590 0.82967239504562 18.998 > 21 25 F 0.31882017517723 0.78760990575410 0.07967239504562 18.998 > 25 26 F 0.81882017517723 0.78760990575410 0.07967239504562 18.998 > 25 27 F 0.31882017517723 0.78760990575410 0.57967239504561 18.998 > 25 28 F 0.81882017517723 0.78760990575410 0.57967239504561 18.998 > 25 29 F 0.18117982482277 0.28760990575410 0.17032760495439 18.998 > 29 30 F 0.68117982482277 0.28760990575410 0.17032760495439 18.998 > 29 31 F 0.18117982482277 0.28760990575410 0.67032760495439 18.998 > 29 32 F 0.68117982482277 0.28760990575410 0.67032760495439 18.998 > 29 33 F 0.19150428919391 0.60964724493972 0.15804998214451 18.998 > 33 34 F 0.69150428919391 0.60964724493972 0.15804998214451 18.998 > 33 35 F 0.19150428919391 0.60964724493972 0.65804998214451 18.998 > 33 36 F 0.69150428919391 0.60964724493972 0.65804998214451 18.998 > 33 37 F 0.30849571080609 0.10964724493972 0.09195001785548 18.998 > 37 38 F 0.80849571080609 0.10964724493972 0.09195001785548 18.998 > 37 39 F 0.30849571080609 0.10964724493972 0.59195001785548 18.998 > 37 40 F 0.80849571080609 0.10964724493972 0.59195001785548 18.998 > 37 41 F 0.30849571080609 0.39035275506028 0.34195001785549 18.998 > 41 42 F 0.80849571080609 0.39035275506028 0.34195001785549 18.998 > 41 43 F 0.30849571080609 0.39035275506028 0.84195001785549 18.998 > 41 44 F 0.80849571080609 0.39035275506028 0.84195001785549 18.998 > 41 45 F 0.19150428919391 0.89035275506028 0.40804998214451 18.998 > 45 46 F 0.69150428919391 0.89035275506028 0.40804998214451 18.998 > 45 47 F 0.19150428919391 0.89035275506028 0.90804998214451 18.998 > 45 48 F 0.69150428919391 0.89035275506028 0.90804998214451 18.998 > 45 49 F 0.32927363130914 0.36375207826127 0.06964181620573 18.998 > 49 50 F 0.82927363130914 0.36375207826127 0.06964181620573 18.998 > 49 51 F 0.32927363130914 0.36375207826127 0.56964181620573 18.998 > 49 52 F 0.82927363130914 0.36375207826127 0.56964181620573 18.998 > 49 53 F 0.17072636869086 0.86375207826127 0.18035818379427 18.998 > 53 54 F 0.67072636869086 0.86375207826127 0.18035818379427 18.998 > 53 55 F 0.17072636869086 0.86375207826127 0.68035818379427 18.998 > 53 56 F 0.67072636869086 0.86375207826127 0.68035818379427 18.998 > 53 57 F 0.17072636869086 0.63624792173873 0.43035818379427 18.998 > 57 58 F 0.67072636869086 0.63624792173873 0.43035818379427 18.998 > 57 59 F 0.17072636869086 0.63624792173873 0.93035818379427 18.998 > 57 60 F 0.67072636869086 0.63624792173873 0.93035818379427 18.998 > 57 61 F 0.32927363130914 0.13624792173873 0.31964181620573 18.998 > 61 62 F 0.82927363130914 0.13624792173873 0.31964181620573 18.998 > 61 63 F 0.32927363130914 0.13624792173873 0.81964181620573 18.998 > 61 64 F 0.82927363130914 0.13624792173873 0.81964181620573 18.998 > 61 65 F 0.43979820718477 0.62449960648160 0.22201272353692 18.998 > 65 66 F 0.93979820718477 0.62449960648160 0.22201272353692 18.998 > 65 67 F 0.43979820718477 0.62449960648160 0.72201272353692 18.998 > 65 68 F 0.93979820718477 0.62449960648160 0.72201272353692 18.998 > 65 69 F 0.06020179281523 0.12449960648161 0.02798727646308 18.998 > 69 70 F 0.56020179281523 0.12449960648161 0.02798727646308 18.998 > 69 71 F 0.06020179281523 0.12449960648161 0.52798727646308 18.998 > 69 72 F 0.56020179281523 0.12449960648161 0.52798727646308 18.998 > 69 73 F 0.06020179281523 0.37550039351839 0.27798727646308 18.998 > 73 74 F 0.56020179281523 0.37550039351839 0.27798727646308 18.998 > 73 75 F 0.06020179281523 0.37550039351839 0.77798727646308 18.998 > 73 76 F 0.56020179281523 0.37550039351839 0.77798727646308 18.998 > 73 77 F 0.43979820718477 0.87550039351840 0.47201272353692 18.998 > 77 78 F 0.93979820718477 0.87550039351840 0.47201272353692 18.998 > 77 79 F 0.43979820718477 0.87550039351840 0.97201272353692 18.998 > 77 80 F 0.93979820718477 0.87550039351840 0.97201272353692 18.998 > 77 81 Al 0.19799497765346 0.24714246170011 0.04987990898250 26.982 > 81 82 Al 0.69799497765346 0.24714246170011 0.04987990898250 26.982 > 81 83 Al 0.19799497765346 0.24714246170011 0.54987990898250 26.982 > 81 84 Al 0.69799497765346 0.24714246170011 0.54987990898250 26.982 > 81 85 Al 0.30200502234654 0.74714246170011 0.20012009101750 26.982 > 85 86 Al 0.80200502234654 0.74714246170011 0.20012009101750 26.982 > 85 87 Al 0.30200502234654 0.74714246170011 0.70012009101750 26.982 > 85 88 Al 0.80200502234654 0.74714246170011 0.70012009101750 26.982 > 85 89 Al 0.30200502234654 0.75285753829989 0.45012009101750 26.982 > 89 90 Al 0.80200502234654 0.75285753829989 0.45012009101750 26.982 > 89 91 Al 0.30200502234654 0.75285753829989 0.95012009101750 26.982 > 89 92 Al 0.80200502234654 0.75285753829989 0.95012009101750 26.982 > 89 93 Al 0.19799497765346 0.25285753829989 0.29987990898250 26.982 > 93 94 Al 0.69799497765346 0.25285753829989 0.29987990898250 26.982 > 93 95 Al 0.19799497765346 0.25285753829989 0.79987990898250 26.982 > 93 96 Al 0.69799497765346 0.25285753829989 0.79987990898250 26.982 > 93 97 Ca 0.01432351432112 0.01952853903551 0.37744774562902 40.078 > 97 98 Ca 0.51432351432112 0.01952853903551 0.37744774562902 40.078 > 97 99 Ca 0.01432351432112 0.01952853903551 0.87744774562902 40.078 > 97 100 Ca 0.51432351432112 0.01952853903551 0.87744774562902 40.078 > 97 101 Ca 0.48567648567888 0.51952853903551 0.37255225437098 40.078 > 101 102 Ca 0.98567648567888 0.51952853903551 0.37255225437098 40.078 > 101 103 Ca 0.48567648567888 0.51952853903551 0.87255225437098 40.078 > 101 104 Ca 0.98567648567888 0.51952853903551 0.87255225437098 40.078 > 101 105 Ca 0.48567648567888 0.98047146096449 0.12255225437098 40.078 > 105 106 Ca 0.98567648567888 0.98047146096449 0.12255225437098 40.078 > 105 107 Ca 0.48567648567888 0.98047146096449 0.62255225437098 40.078 > 105 108 Ca 0.98567648567888 0.98047146096449 0.62255225437098 40.078 > 105 109 Ca 0.01432351432112 0.48047146096449 0.12744774562902 40.078 > 109 110 Ca 0.51432351432112 0.48047146096449 0.12744774562902 40.078 > 109 111 Ca 0.01432351432112 0.48047146096449 0.62744774562902 40.078 > 109 112 Ca 0.51432351432112 0.48047146096449 0.62744774562902 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0564249 0.0000000 -0.0047916 0.0000000 2.0500639 0.0000000 -0.0047913 0.0000000 2.0689785 -------------------------- Born effective charges -------------------------- 1 F -0.9444683 0.3037929 0.0093000 0.3031199 -1.1238503 0.1753647 0.0096994 0.1680520 -1.1536174 2 F -0.9444683 -0.3037929 0.0093000 -0.3031199 -1.1238503 -0.1753647 0.0096994 -0.1680520 -1.1536174 3 F -0.9444683 0.3037929 0.0093000 0.3031199 -1.1238503 0.1753647 0.0096994 0.1680520 -1.1536174 4 F -0.9444683 -0.3037929 0.0093000 -0.3031199 -1.1238503 -0.1753647 0.0096994 -0.1680520 -1.1536174 5 F -0.8615408 -0.1134596 0.2542048 -0.1115228 -0.8496242 -0.0258869 0.2536236 -0.0232330 -1.4797032 6 F -0.8615408 0.1134596 0.2542048 0.1115228 -0.8496242 0.0258869 0.2536236 0.0232330 -1.4797032 7 F -0.8615408 -0.1134596 0.2542048 -0.1115228 -0.8496242 -0.0258869 0.2536236 -0.0232330 -1.4797032 8 F -0.8615408 0.1134596 0.2542048 0.1115228 -0.8496242 0.0258869 0.2536236 0.0232330 -1.4797032 9 F -1.1709548 -0.3929534 -0.1608555 -0.3831226 -1.1474044 -0.1456922 -0.1748696 -0.1562105 -0.7974577 10 F -1.1709548 0.3929534 -0.1608555 0.3831226 -1.1474044 0.1456922 -0.1748696 0.1562105 -0.7974577 11 F -1.1709548 -0.3929534 -0.1608555 -0.3831226 -1.1474044 -0.1456922 -0.1748696 -0.1562105 -0.7974577 12 F -1.1709548 0.3929534 -0.1608555 0.3831226 -1.1474044 0.1456922 -0.1748696 0.1562105 -0.7974577 13 F -1.2745098 -0.3911457 -0.1927054 -0.3919431 -1.0466390 -0.1390978 -0.1783428 -0.1334448 -0.7958290 14 F -1.2745098 0.3911457 -0.1927054 0.3919431 -1.0466390 0.1390978 -0.1783428 0.1334448 -0.7958290 15 F -1.2745098 -0.3911457 -0.1927054 -0.3919431 -1.0466390 -0.1390978 -0.1783428 -0.1334448 -0.7958290 16 F -1.2745098 0.3911457 -0.1927054 0.3919431 -1.0466390 0.1390978 -0.1783428 0.1334448 -0.7958290 17 F -1.0385311 0.3209579 0.0929315 0.3229832 -1.0952675 0.0629950 0.0953108 0.0647973 -1.0835170 18 F -1.0385311 -0.3209579 0.0929315 -0.3229832 -1.0952675 -0.0629950 0.0953108 -0.0647973 -1.0835170 19 F -1.0385311 0.3209579 0.0929315 0.3229832 -1.0952675 0.0629950 0.0953108 0.0647973 -1.0835170 20 F -1.0385311 -0.3209579 0.0929315 -0.3229832 -1.0952675 -0.0629950 0.0953108 -0.0647973 -1.0835170 21 Al 2.8913152 -0.0560101 -0.0063345 -0.0042351 2.9408136 0.0369155 -0.0108096 0.0970193 2.9166678 22 Al 2.8913152 0.0560101 -0.0063345 0.0042351 2.9408136 -0.0369155 -0.0108096 -0.0970193 2.9166678 23 Al 2.8913152 -0.0560101 -0.0063345 -0.0042351 2.9408136 0.0369155 -0.0108096 0.0970193 2.9166678 24 Al 2.8913152 0.0560101 -0.0063345 0.0042351 2.9408136 -0.0369155 -0.0108096 -0.0970193 2.9166678 25 Ca 2.3986895 -0.0338200 0.0034591 -0.0930599 2.3219718 -0.0256814 0.0053881 -0.0082014 2.3934565 26 Ca 2.3986895 0.0338200 0.0034591 0.0930599 2.3219718 0.0256814 0.0053881 0.0082014 2.3934565 27 Ca 2.3986895 -0.0338200 0.0034591 -0.0930599 2.3219718 -0.0256814 0.0053881 -0.0082014 2.3934565 28 Ca 2.3986895 0.0338200 0.0034591 0.0930599 2.3219718 0.0256814 0.0053881 0.0082014 2.3934565 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) --------------------------- 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 ... [ 10 5 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 309, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 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 1.838 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.470 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.540 ( 0.000 0.000 0.000) 0.000 6.734 ( 0.000 0.000 0.000) 0.000 6.748 ( 0.000 0.000 0.000) 0.000 6.844 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.396 ( 0.000 0.000 0.000) 0.000 7.611 ( 0.000 0.000 0.000) 0.000 7.728 ( 0.000 0.000 0.000) 0.000 7.834 ( 0.000 0.000 0.000) 0.000 8.024 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.270 ( 0.000 0.000 0.000) 0.000 8.833 ( 0.000 0.000 0.000) 0.000 8.999 ( 0.000 0.000 0.000) 0.000 9.189 ( 0.000 0.000 0.000) 0.000 9.234 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.684 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 9.815 ( 0.000 0.000 0.000) 0.000 10.251 ( 0.000 0.000 0.000) 0.000 10.351 ( 0.000 0.000 0.000) 0.000 10.446 ( 0.000 0.000 0.000) 0.000 10.506 ( 0.000 0.000 0.000) 0.000 10.812 ( 0.000 0.000 0.000) 0.000 10.852 ( 0.000 0.000 0.000) 0.000 11.436 ( 0.000 0.000 0.000) 0.000 11.625 ( 0.000 0.000 0.000) 0.000 11.830 ( 0.000 0.000 0.000) 0.000 12.040 ( 0.000 0.000 0.000) 0.000 12.065 ( 0.000 0.000 0.000) 0.000 12.330 ( 0.000 0.000 0.000) 0.000 12.356 ( 0.000 0.000 0.000) 0.000 12.551 ( 0.000 0.000 0.000) 0.000 12.794 ( 0.000 0.000 0.000) 0.000 12.861 ( 0.000 0.000 0.000) 0.000 13.026 ( 0.000 0.000 0.000) 0.000 13.040 ( 0.000 0.000 0.000) 0.000 15.605 ( 0.000 0.000 0.000) 0.000 15.659 ( 0.000 0.000 0.000) 0.000 15.905 ( 0.000 0.000 0.000) 0.000 15.910 ( 0.000 0.000 0.000) 0.000 16.244 ( 0.000 0.000 0.000) 0.000 16.322 ( 0.000 0.000 0.000) 0.000 17.358 ( 0.000 0.000 0.000) 0.000 17.566 ( 0.000 0.000 0.000) 0.000 19.114 ( 0.000 0.000 0.000) 0.000 19.194 ( 0.000 0.000 0.000) 0.000 19.387 ( 0.000 0.000 0.000) 0.000 19.463 ( 0.000 0.000 0.000) 0.000 19.491 ( 0.000 0.000 0.000) 0.000 19.579 ( 0.000 0.000 0.000) 0.000 19.754 ( 0.000 0.000 0.000) 0.000 22.211 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.10 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 21.611 0.000 11.196) 24.339 0.932 ( 41.319 0.000 13.049) 43.330 1.181 ( 53.527 0.000 16.897) 56.131 1.936 ( 9.515 0.000 3.541) 10.152 2.022 ( 14.033 0.000 6.120) 15.309 2.255 ( 8.285 0.000 -0.238) 8.288 2.617 ( -0.217 0.000 -3.578) 3.584 3.045 ( -7.112 0.000 0.622) 7.140 3.173 ( -2.582 0.000 11.145) 11.440 3.218 ( 1.308 0.000 -1.227) 1.793 3.305 ( 0.327 0.000 -0.976) 1.029 3.568 ( -6.777 0.000 -0.184) 6.779 3.648 ( 9.349 0.000 -8.202) 12.437 4.014 ( 5.821 0.000 -5.115) 7.749 4.188 ( 11.291 0.000 -1.321) 11.368 4.391 ( 3.073 0.000 1.675) 3.500 4.554 ( -3.086 0.000 2.567) 4.014 4.692 ( -3.751 0.000 0.337) 3.767 4.697 ( -1.218 0.000 1.190) 1.702 4.832 ( 2.472 0.000 -1.503) 2.893 4.866 ( -4.753 0.000 -1.076) 4.873 5.177 ( -16.041 0.000 -11.663) 19.833 5.182 ( -4.991 0.000 -0.472) 5.013 5.298 ( -3.623 0.000 -2.527) 4.417 6.186 ( -2.163 0.000 -0.364) 2.193 6.276 ( -1.282 0.000 1.997) 2.373 6.283 ( 5.792 0.000 0.091) 5.793 6.526 ( 1.431 0.000 -5.162) 5.356 6.732 ( -0.400 0.000 0.107) 0.414 6.790 ( -1.286 0.000 1.323) 1.845 6.851 ( -4.422 0.000 -5.606) 7.140 6.969 ( 9.375 0.000 8.323) 12.537 6.977 ( -5.463 0.000 4.814) 7.281 7.183 ( -3.259 0.000 3.570) 4.833 7.381 ( -0.166 0.000 -5.915) 5.918 7.463 ( 2.686 0.000 1.965) 3.328 7.633 ( 1.508 0.000 2.516) 2.933 7.695 ( -0.648 0.000 -7.681) 7.708 7.833 ( 0.256 0.000 1.974) 1.991 8.142 ( -7.301 0.000 -4.088) 8.367 8.187 ( -11.006 0.000 5.449) 12.281 8.832 ( -1.847 0.000 4.005) 4.411 9.008 ( 0.331 0.000 1.318) 1.359 9.123 ( -5.060 0.000 0.501) 5.085 9.254 ( 1.679 0.000 0.192) 1.690 9.312 ( -14.027 0.000 7.233) 15.782 9.437 ( -14.915 0.000 -5.501) 15.897 9.698 ( -0.571 0.000 1.631) 1.728 9.744 ( -16.140 0.000 12.427) 20.370 9.816 ( 10.304 0.000 -27.559) 29.422 10.221 ( -3.487 0.000 6.230) 7.140 10.362 ( -0.640 0.000 1.920) 2.023 10.468 ( -0.515 0.000 3.949) 3.983 10.633 ( 14.463 0.000 -8.029) 16.542 10.858 ( 0.360 0.000 1.195) 1.248 10.959 ( 8.593 0.000 8.055) 11.778 11.348 ( -7.132 0.000 -4.276) 8.316 11.712 ( -6.230 0.000 -7.249) 9.558 11.930 ( 17.319 0.000 7.106) 18.720 12.096 ( 2.667 0.000 0.678) 2.752 12.136 ( 10.488 0.000 0.311) 10.493 12.259 ( -2.576 0.000 -0.961) 2.749 12.488 ( 8.734 0.000 -0.164) 8.735 12.574 ( 1.680 0.000 -7.820) 7.998 12.639 ( -6.428 0.000 0.031) 6.428 12.911 ( -0.698 0.000 -0.955) 1.183 13.044 ( 3.129 0.000 -7.414) 8.047 13.251 ( 18.140 0.000 6.455) 19.255 15.570 ( -1.739 0.000 0.176) 1.748 15.735 ( 2.727 0.000 7.886) 8.344 15.907 ( -1.515 0.000 3.880) 4.165 15.912 ( -0.291 0.000 1.161) 1.196 16.332 ( 1.526 0.000 -1.841) 2.391 16.766 ( -0.917 0.000 0.584) 1.087 17.376 ( 1.499 0.000 0.839) 1.718 17.548 ( -1.813 0.000 0.122) 1.817 19.116 ( 0.238 0.000 -0.078) 0.250 19.130 ( -3.547 0.000 -4.241) 5.529 19.407 ( -4.916 0.000 0.511) 4.942 19.424 ( 3.532 0.000 1.460) 3.822 19.593 ( 2.510 0.000 9.893) 10.206 19.786 ( 5.285 0.000 -7.484) 9.162 21.988 ( -20.440 0.000 -7.580) 21.800 22.570 ( -3.520 0.000 -0.424) 3.546 ======================= Grid point 2 (3/108) ======================= 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 19.187 0.000 9.344) 21.342 1.651 ( 26.682 0.000 8.047) 27.869 2.038 ( 22.910 0.000 2.758) 23.076 2.204 ( 14.312 0.000 5.682) 15.399 2.431 ( 21.160 0.000 9.749) 23.298 2.553 ( 1.626 0.000 -5.539) 5.773 2.632 ( 28.941 0.000 9.616) 30.496 2.908 ( -5.522 0.000 5.375) 7.706 3.215 ( -1.255 0.000 -1.135) 1.692 3.319 ( 2.273 0.000 -1.911) 2.969 3.335 ( 9.117 0.000 8.442) 12.425 3.460 ( -3.153 0.000 -0.732) 3.237 3.642 ( -3.967 0.000 -1.475) 4.232 4.066 ( 3.530 0.000 -16.507) 16.880 4.346 ( 3.026 0.000 -2.784) 4.112 4.402 ( -21.054 0.000 4.776) 21.589 4.448 ( 0.687 0.000 0.923) 1.150 4.621 ( -2.058 0.000 -12.631) 12.797 4.653 ( 1.278 0.000 0.909) 1.568 4.748 ( -3.102 0.000 9.574) 10.064 4.846 ( 2.773 0.000 -11.546) 11.874 4.912 ( -3.320 0.000 -9.155) 9.738 5.068 ( -7.100 0.000 7.239) 10.140 5.252 ( 2.301 0.000 -5.427) 5.894 6.107 ( -3.718 0.000 -1.526) 4.019 6.278 ( -0.995 0.000 3.686) 3.818 6.363 ( 2.820 0.000 -1.170) 3.053 6.549 ( 3.617 0.000 -2.517) 4.407 6.677 ( -5.625 0.000 -2.496) 6.154 6.770 ( 0.672 0.000 -4.364) 4.416 6.771 ( -1.792 0.000 0.608) 1.892 6.902 ( -5.128 0.000 6.437) 8.230 7.136 ( -4.665 0.000 3.564) 5.871 7.264 ( 12.088 0.000 11.318) 16.560 7.321 ( -1.612 0.000 -4.888) 5.147 7.437 ( -2.777 0.000 -6.819) 7.363 7.614 ( -4.746 0.000 -1.666) 5.030 7.695 ( 2.393 0.000 3.247) 4.033 7.877 ( 2.500 0.000 0.663) 2.586 7.968 ( -6.368 0.000 -5.332) 8.305 7.972 ( -14.390 0.000 10.160) 17.616 8.820 ( -1.858 0.000 3.725) 4.163 8.885 ( -28.350 0.000 -7.050) 29.213 9.020 ( -0.568 0.000 1.657) 1.752 9.058 ( -2.468 0.000 2.038) 3.200 9.113 ( -11.336 0.000 -2.315) 11.570 9.295 ( 2.390 0.000 0.295) 2.408 9.661 ( -1.937 0.000 -0.459) 1.991 9.706 ( 3.888 0.000 -9.926) 10.660 9.830 ( -0.725 0.000 4.674) 4.730 10.217 ( -1.615 0.000 5.391) 5.628 10.365 ( -0.718 0.000 3.737) 3.805 10.476 ( -1.527 0.000 4.621) 4.867 10.855 ( 12.244 0.000 -7.303) 14.256 10.878 ( -0.031 0.000 2.762) 2.762 11.158 ( -6.355 0.000 -8.176) 10.355 11.221 ( 13.667 0.000 4.067) 14.259 11.494 ( -10.098 0.000 -9.770) 14.050 12.112 ( 3.368 0.000 1.965) 3.899 12.119 ( -2.193 0.000 -0.800) 2.334 12.219 ( -0.362 0.000 -1.154) 1.209 12.465 ( 7.694 0.000 0.936) 7.750 12.595 ( 0.341 0.000 0.896) 0.958 12.603 ( 12.794 0.000 1.022) 12.835 12.678 ( 11.150 0.000 1.078) 11.202 12.889 ( 0.358 0.000 0.296) 0.464 13.055 ( 4.665 0.000 -10.989) 11.938 13.686 ( 21.933 0.000 8.215) 23.421 15.554 ( -0.669 0.000 1.688) 1.816 15.828 ( -0.389 0.000 11.048) 11.054 15.906 ( -1.248 0.000 3.369) 3.593 15.915 ( -0.012 0.000 0.327) 0.327 16.348 ( 1.673 0.000 -2.345) 2.881 16.768 ( 1.016 0.000 0.771) 1.276 17.410 ( 1.651 0.000 -1.833) 2.467 17.515 ( -2.130 0.000 3.238) 3.875 19.056 ( -1.253 0.000 -2.220) 2.549 19.120 ( 0.155 0.000 -0.134) 0.205 19.332 ( -2.271 0.000 -0.155) 2.276 19.515 ( 3.648 0.000 3.293) 4.914 19.692 ( 0.095 0.000 10.499) 10.499 19.824 ( 5.005 0.000 -10.766) 11.873 21.387 ( -34.729 0.000 -12.958) 37.068 22.475 ( -5.465 0.000 -1.913) 5.790 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.30 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 15.366 0.000 6.609) 16.727 2.062 ( 13.802 0.000 4.109) 14.400 2.247 ( 6.027 0.000 -3.815) 7.133 2.441 ( -4.933 0.000 -7.859) 9.279 2.497 ( 11.742 0.000 4.447) 12.556 2.774 ( 8.339 0.000 9.053) 12.308 2.922 ( -0.586 0.000 4.067) 4.109 3.156 ( -4.748 0.000 3.477) 5.885 3.284 ( 10.963 0.000 4.550) 11.870 3.306 ( 2.225 0.000 -3.582) 4.217 3.480 ( -3.750 0.000 2.336) 4.418 3.542 ( 14.813 0.000 0.565) 14.824 3.603 ( -4.342 0.000 2.638) 5.081 3.913 ( 6.913 0.000 -17.601) 18.910 4.110 ( -9.931 0.000 5.631) 11.416 4.295 ( 0.917 0.000 -1.728) 1.956 4.384 ( -6.894 0.000 -2.969) 7.506 4.555 ( -0.376 0.000 -6.330) 6.341 4.718 ( 1.017 0.000 2.954) 3.124 4.752 ( -1.979 0.000 3.002) 3.595 4.799 ( 3.220 0.000 -7.208) 7.894 4.838 ( 0.174 0.000 -1.320) 1.331 5.102 ( 4.405 0.000 5.788) 7.273 5.330 ( 8.411 0.000 -6.135) 10.411 6.081 ( 1.011 0.000 0.858) 1.326 6.279 ( -1.840 0.000 4.886) 5.221 6.358 ( -3.290 0.000 -1.983) 3.841 6.547 ( -4.453 0.000 -3.288) 5.536 6.607 ( 3.323 0.000 -0.795) 3.417 6.730 ( -0.625 0.000 -3.743) 3.795 6.766 ( 0.748 0.000 -2.720) 2.821 6.888 ( -3.269 0.000 7.433) 8.120 7.068 ( -2.985 0.000 1.733) 3.452 7.225 ( -10.934 0.000 -5.804) 12.379 7.272 ( -1.410 0.000 -1.468) 2.036 7.451 ( -5.133 0.000 0.116) 5.135 7.548 ( 1.791 0.000 0.942) 2.024 7.718 ( -2.228 0.000 0.035) 2.228 7.883 ( -0.273 0.000 -2.169) 2.186 7.911 ( 1.750 0.000 -1.187) 2.115 7.968 ( 5.069 0.000 18.720) 19.394 8.356 ( -21.178 0.000 -5.798) 21.957 8.821 ( -0.602 0.000 3.493) 3.545 8.913 ( -7.862 0.000 -2.538) 8.261 8.996 ( -2.947 0.000 2.432) 3.821 9.057 ( 0.690 0.000 1.395) 1.556 9.339 ( 1.866 0.000 0.124) 1.870 9.612 ( -0.881 0.000 -6.159) 6.222 9.713 ( 1.509 0.000 -3.119) 3.465 9.848 ( -1.091 0.000 5.381) 5.490 10.220 ( -2.073 0.000 5.524) 5.900 10.390 ( 0.367 0.000 4.207) 4.223 10.478 ( -1.525 0.000 4.826) 5.061 10.806 ( -7.641 0.000 -13.640) 15.635 10.885 ( -1.325 0.000 3.025) 3.302 11.186 ( 11.510 0.000 -3.939) 12.165 11.216 ( -11.846 0.000 -10.440) 15.789 11.497 ( 13.399 0.000 1.564) 13.490 12.027 ( -5.081 0.000 -1.617) 5.332 12.160 ( 0.663 0.000 1.765) 1.885 12.201 ( -1.839 0.000 -0.983) 2.085 12.459 ( -0.870 0.000 -4.374) 4.460 12.601 ( -0.366 0.000 -0.956) 1.023 12.824 ( 3.753 0.000 -0.792) 3.835 12.916 ( 11.625 0.000 3.626) 12.177 13.048 ( 13.641 0.000 5.567) 14.733 13.079 ( 5.699 0.000 -9.336) 10.938 14.160 ( 22.021 0.000 8.501) 23.605 15.565 ( 0.502 0.000 1.778) 1.848 15.851 ( -4.779 0.000 9.868) 10.964 15.906 ( -0.786 0.000 2.385) 2.511 15.916 ( 0.088 0.000 -0.179) 0.199 16.367 ( 1.864 0.000 -1.367) 2.311 16.811 ( 2.526 0.000 0.972) 2.707 17.392 ( -1.374 0.000 -2.580) 2.923 17.535 ( 1.062 0.000 4.070) 4.206 19.065 ( 3.081 0.000 -0.437) 3.112 19.117 ( -0.171 0.000 -0.305) 0.350 19.341 ( 2.578 0.000 1.752) 3.117 19.579 ( -0.478 0.000 5.251) 5.273 19.734 ( -1.453 0.000 6.519) 6.679 19.822 ( 2.836 0.000 -11.541) 11.885 20.586 ( -38.472 0.000 -14.567) 41.137 22.353 ( -5.585 0.000 -2.261) 6.026 ======================= Grid point 4 (5/108) ======================= 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 9.656 0.000 3.366) 10.225 2.241 ( 3.567 0.000 1.224) 3.772 2.277 ( -1.796 0.000 -4.663) 4.997 2.313 ( -0.914 0.000 -2.956) 3.094 2.624 ( -0.754 0.000 -0.530) 0.922 2.902 ( 2.686 0.000 -0.595) 2.751 3.007 ( 9.465 0.000 11.274) 14.721 3.023 ( -12.389 0.000 5.730) 13.650 3.180 ( -1.576 0.000 -10.636) 10.752 3.237 ( -16.022 0.000 4.838) 16.737 3.452 ( 5.069 0.000 -1.048) 5.176 3.563 ( 0.483 0.000 -8.122) 8.137 3.691 ( 1.198 0.000 -1.615) 2.010 3.797 ( -9.080 0.000 -9.512) 13.150 4.218 ( -6.644 0.000 -2.570) 7.124 4.307 ( 14.951 0.000 4.823) 15.710 4.470 ( 7.418 0.000 5.870) 9.459 4.544 ( 2.015 0.000 0.544) 2.087 4.719 ( -1.010 0.000 0.911) 1.360 4.775 ( 3.880 0.000 -5.175) 6.468 4.869 ( 1.032 0.000 10.426) 10.477 4.986 ( 18.920 0.000 -0.544) 18.928 5.217 ( 3.010 0.000 4.673) 5.558 5.415 ( 4.504 0.000 -6.589) 7.981 6.120 ( 0.365 0.000 4.367) 4.382 6.194 ( -10.184 0.000 -3.569) 10.791 6.268 ( -1.568 0.000 -0.830) 1.774 6.504 ( 0.410 0.000 -0.724) 0.832 6.652 ( 1.872 0.000 -0.546) 1.950 6.709 ( 1.620 0.000 -6.628) 6.823 6.752 ( -0.883 0.000 -1.373) 1.632 6.827 ( -7.588 0.000 8.232) 11.196 6.991 ( -8.676 0.000 -2.990) 9.176 7.092 ( 3.809 0.000 0.759) 3.884 7.241 ( -1.501 0.000 0.034) 1.501 7.353 ( -3.134 0.000 -1.762) 3.596 7.560 ( -0.005 0.000 -0.332) 0.332 7.662 ( -2.134 0.000 -1.034) 2.371 7.733 ( -12.460 0.000 -6.051) 13.851 7.936 ( 1.724 0.000 -1.181) 2.090 8.171 ( 1.208 0.000 2.607) 2.873 8.240 ( 7.762 0.000 13.284) 15.385 8.793 ( -3.496 0.000 -1.478) 3.796 8.835 ( -0.804 0.000 3.393) 3.487 8.957 ( -2.356 0.000 1.456) 2.769 9.106 ( 3.361 0.000 1.806) 3.815 9.362 ( 0.612 0.000 -0.216) 0.649 9.555 ( -1.131 0.000 -3.859) 4.021 9.719 ( 0.647 0.000 -1.130) 1.302 9.860 ( -0.556 0.000 2.666) 2.724 10.227 ( -1.788 0.000 9.169) 9.342 10.423 ( 0.741 0.000 1.257) 1.459 10.487 ( -0.868 0.000 4.367) 4.452 10.546 ( -7.639 0.000 -16.554) 18.231 10.873 ( -1.369 0.000 1.464) 2.005 10.939 ( -9.609 0.000 -8.147) 12.597 11.378 ( 9.252 0.000 -0.687) 9.278 11.731 ( 10.266 0.000 0.337) 10.271 11.939 ( -3.035 0.000 -0.954) 3.182 12.135 ( -3.903 0.000 -1.059) 4.044 12.172 ( 0.201 0.000 0.270) 0.337 12.396 ( -3.375 0.000 -2.160) 4.007 12.579 ( -0.848 0.000 -1.047) 1.348 12.877 ( 2.384 0.000 -0.283) 2.401 13.058 ( 4.588 0.000 -1.732) 4.904 13.145 ( 4.056 0.000 -2.081) 4.559 13.320 ( 9.832 0.000 3.862) 10.564 14.587 ( 16.413 0.000 6.404) 17.618 15.595 ( 1.557 0.000 0.961) 1.829 15.799 ( -5.423 0.000 5.433) 7.676 15.909 ( -0.345 0.000 1.321) 1.365 15.915 ( 0.075 0.000 -0.387) 0.394 16.399 ( 1.809 0.000 -0.301) 1.834 16.859 ( 1.731 0.000 0.592) 1.830 17.348 ( -1.714 0.000 -0.711) 1.856 17.585 ( 1.688 0.000 1.851) 2.505 19.116 ( 0.338 0.000 -0.071) 0.345 19.151 ( 5.612 0.000 -0.441) 5.630 19.431 ( 3.967 0.000 4.268) 5.827 19.560 ( -4.959 0.000 5.500) 7.405 19.742 ( -0.473 0.000 1.825) 1.885 19.771 ( -2.927 0.000 -8.694) 9.173 19.857 ( -24.528 0.000 -11.591) 27.128 22.252 ( -3.522 0.000 -1.510) 3.832 ======================= Grid point 5 (6/108) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 -0.000) 0.000 2.594 ( -0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 3.034 ( -0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.269 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 -0.000) 0.000 3.499 ( 0.000 0.000 -0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.593 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.781 ( 0.000 0.000 -0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 -0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.227 ( 0.000 0.000 0.000) 0.000 6.513 ( 0.000 0.000 0.000) 0.000 6.676 ( -0.000 0.000 -0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 -0.000) 0.000 6.899 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 -0.000) 0.000 7.218 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 -0.000) 0.000 7.561 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.950 ( 0.000 0.000 0.000) 0.000 8.215 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.757 ( 0.000 0.000 0.000) 0.000 8.836 ( 0.000 0.000 0.000) 0.000 8.938 ( 0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 -0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.530 ( 0.000 0.000 0.000) 0.000 9.721 ( 0.000 0.000 -0.000) 0.000 9.864 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 -0.000) 0.000 10.356 ( 0.000 0.000 0.000) 0.000 10.441 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 10.807 ( 0.000 0.000 0.000) 0.000 10.864 ( 0.000 0.000 -0.000) 0.000 11.474 ( 0.000 0.000 0.000) 0.000 11.842 ( 0.000 0.000 0.000) 0.000 11.907 ( 0.000 0.000 0.000) 0.000 12.083 ( 0.000 0.000 0.000) 0.000 12.175 ( 0.000 0.000 0.000) 0.000 12.343 ( 0.000 0.000 0.000) 0.000 12.566 ( 0.000 0.000 0.000) 0.000 12.900 ( 0.000 0.000 0.000) 0.000 13.098 ( 0.000 0.000 -0.000) 0.000 13.173 ( 0.000 0.000 0.000) 0.000 13.429 ( 0.000 0.000 0.000) 0.000 14.779 ( 0.000 0.000 0.000) 0.000 15.619 ( 0.000 0.000 -0.000) 0.000 15.759 ( 0.000 0.000 0.000) 0.000 15.910 ( 0.000 0.000 -0.000) 0.000 15.914 ( 0.000 0.000 0.000) 0.000 16.417 ( 0.000 0.000 0.000) 0.000 16.878 ( 0.000 0.000 0.000) 0.000 17.329 ( 0.000 0.000 0.000) 0.000 17.609 ( 0.000 0.000 -0.000) 0.000 19.125 ( 0.000 0.000 0.000) 0.000 19.218 ( 0.000 0.000 0.000) 0.000 19.506 ( -0.000 0.000 -0.000) 0.000 19.510 ( 0.000 0.000 0.000) 0.000 19.516 ( 0.000 0.000 0.000) 0.000 19.743 ( 0.000 0.000 0.000) 0.000 19.743 ( 0.000 0.000 0.000) 0.000 22.212 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/108) ======================= q-point: ( 0.00 0.20 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 37.248 0.000) 37.248 0.934 ( 0.000 42.089 0.000) 42.089 1.232 ( 0.000 56.395 0.000) 56.395 1.920 ( 0.000 8.919 0.000) 8.919 2.011 ( 0.000 -2.681 0.000) 2.681 2.260 ( 0.000 6.440 0.000) 6.440 2.574 ( 0.000 -4.766 0.000) 4.766 2.876 ( 0.000 -25.868 0.000) 25.868 3.075 ( 0.000 2.491 0.000) 2.491 3.244 ( 0.000 -7.810 0.000) 7.810 3.319 ( 0.000 0.365 0.000) 0.365 3.574 ( 0.000 8.709 0.000) 8.709 3.662 ( 0.000 1.303 0.000) 1.303 3.985 ( 0.000 -7.398 0.000) 7.398 4.197 ( 0.000 12.200 0.000) 12.200 4.271 ( 0.000 -4.173 0.000) 4.173 4.624 ( 0.000 3.822 0.000) 3.822 4.624 ( 0.000 -6.715 0.000) 6.715 4.705 ( 0.000 -1.611 0.000) 1.611 4.723 ( 0.000 -14.553 0.000) 14.553 4.861 ( 0.000 -0.431 0.000) 0.431 5.010 ( 0.000 -24.297 0.000) 24.297 5.268 ( 0.000 -1.895 0.000) 1.895 5.343 ( 0.000 0.728 0.000) 0.728 6.152 ( 0.000 6.615 0.000) 6.615 6.248 ( 0.000 3.544 0.000) 3.544 6.468 ( 0.000 2.245 0.000) 2.245 6.626 ( 0.000 6.439 0.000) 6.439 6.747 ( 0.000 0.448 0.000) 0.448 6.853 ( 0.000 -0.825 0.000) 0.825 6.892 ( 0.000 -1.708 0.000) 1.708 6.903 ( 0.000 0.606 0.000) 0.606 7.045 ( 0.000 3.246 0.000) 3.246 7.166 ( 0.000 5.946 0.000) 5.946 7.229 ( 0.000 2.459 0.000) 2.459 7.553 ( 0.000 -4.912 0.000) 4.912 7.746 ( 0.000 1.854 0.000) 1.854 7.799 ( 0.000 -0.241 0.000) 0.241 8.118 ( 0.000 -9.877 0.000) 9.877 8.136 ( 0.000 0.554 0.000) 0.554 8.205 ( 0.000 2.890 0.000) 2.890 8.843 ( 0.000 1.394 0.000) 1.394 8.963 ( 0.000 -1.456 0.000) 1.456 9.140 ( 0.000 -2.782 0.000) 2.782 9.208 ( 0.000 -5.133 0.000) 5.133 9.314 ( 0.000 -9.155 0.000) 9.155 9.662 ( 0.000 4.288 0.000) 4.288 9.705 ( 0.000 1.513 0.000) 1.513 9.707 ( 0.000 1.094 0.000) 1.094 9.809 ( 0.000 -0.680 0.000) 0.680 10.239 ( 0.000 -0.376 0.000) 0.376 10.346 ( 0.000 -2.505 0.000) 2.505 10.513 ( 0.000 5.801 0.000) 5.801 10.604 ( 0.000 8.443 0.000) 8.443 10.826 ( 0.000 -2.470 0.000) 2.470 10.955 ( 0.000 11.885 0.000) 11.885 11.324 ( 0.000 -9.500 0.000) 9.500 11.649 ( 0.000 -0.465 0.000) 0.465 11.775 ( 0.000 -2.048 0.000) 2.048 12.082 ( 0.000 1.742 0.000) 1.742 12.193 ( 0.000 3.588 0.000) 3.588 12.317 ( 0.000 -0.598 0.000) 0.598 12.404 ( 0.000 1.781 0.000) 1.781 12.522 ( 0.000 -2.681 0.000) 2.681 12.887 ( 0.000 2.254 0.000) 2.254 12.906 ( 0.000 -1.266 0.000) 1.266 12.996 ( 0.000 -2.440 0.000) 2.440 13.039 ( 0.000 -0.231 0.000) 0.231 15.602 ( 0.000 -0.186 0.000) 0.186 15.681 ( 0.000 -1.684 0.000) 1.684 15.907 ( 0.000 0.143 0.000) 0.143 15.911 ( 0.000 0.076 0.000) 0.076 16.261 ( 0.000 1.523 0.000) 1.523 16.325 ( 0.000 0.112 0.000) 0.112 17.379 ( 0.000 1.495 0.000) 1.495 17.543 ( 0.000 -2.153 0.000) 2.153 19.171 ( 0.000 -1.679 0.000) 1.679 19.314 ( 0.000 -7.291 0.000) 7.291 19.400 ( 0.000 1.284 0.000) 1.284 19.539 ( 0.000 -1.369 0.000) 1.369 19.660 ( 0.000 6.738 0.000) 6.738 19.773 ( 0.000 2.150 0.000) 2.150 22.230 ( 0.000 1.803 0.000) 1.803 22.388 ( 0.000 -1.728 0.000) 1.728 ======================= Grid point 12 (8/108) ======================= q-point: ( 0.10 0.20 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 18.528 21.348 2.303) 28.361 0.906 ( 11.103 30.962 6.298) 33.490 1.763 ( 23.062 21.326 7.917) 32.393 2.008 ( 7.364 4.886 2.283) 9.128 2.107 ( 11.163 8.494 2.277) 14.210 2.414 ( 18.812 17.737 6.911) 26.763 2.574 ( 1.178 -3.620 -3.157) 4.946 2.886 ( 1.156 -25.076 -0.656) 25.111 3.048 ( -6.809 -0.274 0.144) 6.816 3.183 ( -1.087 -0.946 10.271) 10.372 3.307 ( -0.953 -2.652 -1.781) 3.333 3.514 ( -11.333 -3.985 0.918) 12.048 3.679 ( 9.239 3.418 -9.798) 13.895 4.057 ( 2.137 -9.797 -4.312) 10.915 4.220 ( 4.454 11.907 -4.043) 13.340 4.286 ( 2.135 -5.237 -0.336) 5.666 4.594 ( -1.224 0.098 0.684) 1.405 4.630 ( -4.372 -5.048 4.190) 7.884 4.648 ( 1.053 -0.889 -1.337) 1.920 4.771 ( 1.019 -6.887 3.150) 7.641 4.853 ( -0.572 -1.405 -1.387) 2.055 4.984 ( 1.251 -14.138 -9.946) 17.331 5.229 ( -1.865 -3.882 -3.778) 5.729 5.272 ( -7.915 1.823 2.760) 8.578 6.156 ( 0.785 6.084 0.146) 6.136 6.272 ( 1.416 4.530 1.406) 4.950 6.469 ( -0.714 4.461 1.467) 4.750 6.568 ( -2.402 3.846 -5.521) 7.145 6.728 ( -1.338 0.475 -0.113) 1.424 6.809 ( -0.126 1.294 -0.876) 1.568 6.954 ( 6.241 -0.698 4.291) 7.606 6.986 ( -4.096 5.781 1.932) 7.344 7.018 ( -3.795 3.798 2.707) 6.013 7.148 ( -2.385 -2.676 6.523) 7.443 7.297 ( 7.103 -2.424 -5.210) 9.136 7.582 ( -0.316 -6.313 1.995) 6.628 7.685 ( -0.382 2.193 -9.261) 9.525 7.768 ( -7.699 9.650 -1.002) 12.385 7.888 ( -7.977 10.485 -1.111) 13.221 7.978 ( -8.813 -4.330 2.786) 10.207 8.285 ( 1.656 -0.169 0.647) 1.786 8.850 ( -0.655 1.606 3.111) 3.562 8.971 ( -0.453 -3.171 1.464) 3.522 9.097 ( -3.291 -2.021 1.538) 4.157 9.232 ( 0.778 -1.801 -0.596) 2.050 9.326 ( -11.731 -15.877 9.429) 21.877 9.399 ( -6.500 -0.045 -1.992) 6.799 9.463 ( -22.896 -2.247 -10.287) 25.201 9.707 ( 2.292 0.776 -5.199) 5.735 9.808 ( 2.776 -0.809 -6.389) 7.013 10.247 ( -1.366 0.930 3.393) 3.774 10.357 ( -0.876 -2.073 3.252) 3.954 10.507 ( -0.908 5.312 2.536) 5.956 10.575 ( 2.163 -0.760 -2.514) 3.402 10.834 ( -0.653 -2.509 3.674) 4.497 11.107 ( 11.007 9.323 -2.541) 14.647 11.220 ( -5.825 -8.371 -3.694) 10.846 11.712 ( 0.482 -1.952 -3.578) 4.104 11.927 ( 12.686 1.338 3.592) 13.252 12.042 ( -1.577 -2.632 1.631) 3.475 12.205 ( 2.633 6.866 1.501) 7.505 12.396 ( 5.040 3.568 1.638) 6.389 12.470 ( 8.477 -1.154 -0.688) 8.583 12.552 ( 1.828 -2.129 -5.611) 6.273 12.823 ( -4.920 10.659 2.168) 11.938 12.943 ( 1.488 2.531 -2.129) 3.626 13.040 ( 2.744 -0.506 -6.416) 6.996 13.222 ( 18.568 -3.156 6.930) 20.069 15.578 ( -1.641 0.757 -0.116) 1.810 15.712 ( 1.820 -2.230 5.156) 5.905 15.908 ( -1.799 0.086 4.956) 5.273 15.914 ( -0.157 0.100 1.143) 1.159 16.287 ( 2.890 -1.792 -2.468) 4.202 16.563 ( 11.616 -9.113 4.420) 15.412 17.392 ( 1.147 1.330 0.595) 1.854 17.530 ( -1.447 -1.708 0.501) 2.294 19.129 ( -1.786 0.438 -2.124) 2.809 19.348 ( -4.253 4.097 -0.061) 5.906 19.359 ( -3.491 1.964 1.009) 4.130 19.454 ( 2.773 1.532 0.784) 3.263 19.628 ( -2.156 3.611 3.374) 5.392 19.799 ( 3.021 0.623 -5.382) 6.203 22.018 ( -19.213 2.930 -7.123) 20.699 22.389 ( -1.986 -10.324 -0.420) 10.522 ======================= Grid point 13 (9/108) ======================= q-point: ( 0.20 0.20 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 14.266 21.973 6.797) 27.065 1.455 ( 32.681 -8.148 8.792) 34.810 2.141 ( 15.222 1.856 5.581) 16.318 2.241 ( 12.113 3.997 2.509) 13.000 2.296 ( 11.615 -2.910 1.404) 12.056 2.544 ( -0.350 -1.398 -5.563) 5.746 2.845 ( 0.966 0.033 4.799) 4.895 2.905 ( 0.733 -23.338 -0.220) 23.351 3.042 ( 12.190 13.300 12.710) 22.069 3.192 ( -8.296 -17.695 -4.476) 20.049 3.334 ( 5.022 0.697 3.483) 6.152 3.447 ( 10.657 7.437 7.824) 15.169 3.699 ( 1.060 3.636 -10.980) 11.615 3.943 ( -7.121 -7.144 -2.492) 10.391 4.243 ( 0.130 8.327 -5.572) 10.020 4.368 ( 6.090 -5.748 -4.560) 9.535 4.590 ( 0.324 1.779 -0.522) 1.883 4.643 ( -0.790 2.621 7.648) 8.123 4.658 ( 2.485 -2.705 -4.994) 6.199 4.778 ( -2.588 -4.346 -0.689) 5.105 4.832 ( 1.516 0.060 -4.385) 4.641 4.925 ( 0.287 1.352 -13.608) 13.678 5.136 ( -7.174 2.046 7.549) 10.614 5.205 ( 1.044 -2.104 -0.187) 2.356 6.101 ( -5.424 5.345 -2.650) 8.063 6.341 ( 3.775 3.623 2.893) 5.979 6.446 ( -2.280 6.942 0.183) 7.309 6.506 ( -1.481 -1.590 -2.198) 3.091 6.708 ( -0.650 0.140 -0.367) 0.759 6.796 ( -0.716 3.798 -4.984) 6.307 6.865 ( -5.643 6.788 1.192) 8.907 6.957 ( -3.278 4.875 3.352) 6.764 7.116 ( -4.021 -2.049 7.171) 8.473 7.148 ( 3.913 -9.329 7.729) 12.731 7.312 ( -1.993 -2.594 -6.028) 6.858 7.454 ( -6.601 -1.778 -3.191) 7.544 7.594 ( -4.065 1.867 -2.766) 5.259 7.717 ( 1.169 2.217 -5.181) 5.755 7.887 ( 2.021 1.388 0.560) 2.515 7.949 ( 2.812 6.227 11.038) 12.981 8.185 ( -11.169 9.944 -2.081) 15.098 8.779 ( -26.779 -11.727 -4.388) 29.562 8.850 ( -1.737 2.259 3.700) 4.669 8.996 ( -5.568 -2.017 0.467) 5.940 9.054 ( -1.736 -0.104 -0.123) 1.743 9.140 ( -9.018 1.992 -1.349) 9.333 9.266 ( 2.437 -3.154 -1.644) 4.311 9.397 ( 0.542 -15.835 -0.161) 15.845 9.719 ( 2.394 1.028 -4.600) 5.286 9.820 ( 0.778 -0.995 -0.199) 1.279 10.244 ( -1.596 1.501 4.388) 4.904 10.359 ( -1.749 -1.894 5.440) 6.020 10.506 ( -1.201 4.306 3.910) 5.939 10.693 ( 10.404 -10.190 -4.098) 15.129 10.851 ( -0.921 -3.348 5.483) 6.490 10.969 ( -8.712 -12.752 -8.786) 17.768 11.386 ( 13.238 10.535 -1.169) 16.959 11.605 ( -6.319 7.590 -8.192) 12.832 12.002 ( -0.146 -3.226 2.116) 3.861 12.194 ( 8.251 -3.142 2.432) 9.157 12.284 ( 3.711 7.162 0.408) 8.076 12.461 ( 1.274 -2.918 -3.326) 4.605 12.544 ( 4.419 -2.962 -2.378) 5.827 12.648 ( 3.975 1.506 0.731) 4.313 12.810 ( 3.052 10.818 1.560) 11.348 12.998 ( 6.761 11.119 0.964) 13.048 13.047 ( 3.563 -0.707 -8.721) 9.447 13.650 ( 20.362 -3.758 7.845) 22.142 15.557 ( -0.904 0.721 0.972) 1.510 15.778 ( -0.162 -4.181 7.692) 8.757 15.908 ( -1.466 0.183 4.100) 4.358 15.919 ( -0.381 0.201 1.858) 1.907 16.345 ( 4.846 0.864 -1.695) 5.206 16.709 ( 3.660 -5.390 1.272) 6.638 17.419 ( 1.348 0.891 -1.298) 2.073 17.506 ( -1.841 -0.935 2.955) 3.605 19.105 ( -0.312 4.778 0.156) 4.791 19.242 ( -2.479 9.120 -1.229) 9.530 19.346 ( -1.973 0.836 0.885) 2.318 19.519 ( 3.021 0.284 1.669) 3.463 19.664 ( 0.088 -2.157 7.939) 8.227 19.799 ( 2.768 -2.449 -9.438) 10.136 21.463 ( -31.430 7.334 -11.729) 34.339 22.300 ( -5.897 -14.788 -2.156) 16.066 ======================= Grid point 14 (10/108) ======================= q-point: ( 0.30 0.20 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 12.437 15.504 5.265) 20.561 1.972 ( 17.038 -5.679 3.915) 18.381 2.292 ( 1.389 -0.129 -3.892) 4.134 2.395 ( 1.717 -1.277 -4.597) 5.070 2.546 ( 7.749 1.458 2.686) 8.330 2.653 ( 13.960 -7.772 8.205) 17.961 2.828 ( -2.593 -11.206 2.762) 11.829 2.907 ( -1.162 -17.207 3.414) 17.580 3.060 ( 0.819 -12.223 -2.500) 12.503 3.289 ( 5.335 -4.253 10.263) 12.324 3.413 ( 4.620 -0.645 2.262) 5.184 3.643 ( 2.487 4.330 -8.995) 10.288 3.781 ( 10.081 -3.263 0.991) 10.642 3.959 ( 6.040 23.518 6.068) 25.028 4.146 ( -5.264 5.599 -7.317) 10.611 4.368 ( -3.314 -0.948 -3.813) 5.140 4.566 ( -3.452 3.710 -7.608) 9.141 4.587 ( -1.449 5.051 -1.021) 5.353 4.687 ( -1.481 -1.846 -2.816) 3.678 4.701 ( -2.353 -1.790 5.283) 6.054 4.818 ( -0.524 -0.018 -9.240) 9.255 4.888 ( 6.788 6.939 -2.547) 10.036 5.151 ( 1.404 2.101 10.052) 10.364 5.268 ( 6.537 -2.478 -3.586) 7.857 6.028 ( 0.291 -2.144 -0.327) 2.188 6.384 ( -4.118 9.365 3.714) 10.884 6.414 ( -0.964 3.889 -0.195) 4.012 6.455 ( -1.292 -4.812 -1.358) 5.164 6.698 ( 0.032 -0.993 -1.148) 1.518 6.722 ( -1.943 4.659 -3.423) 6.099 6.802 ( -1.779 3.685 -2.330) 4.709 6.938 ( -4.765 3.800 7.328) 9.531 7.064 ( -2.618 -0.691 3.368) 4.321 7.166 ( -5.788 -6.092 0.278) 8.408 7.221 ( -2.166 -3.667 -4.707) 6.348 7.416 ( 0.696 -4.403 1.697) 4.770 7.520 ( -1.736 -1.705 -1.331) 2.774 7.660 ( -3.004 -2.764 -2.305) 4.688 7.898 ( -13.767 4.793 -2.946) 14.872 7.918 ( 1.255 0.411 -0.570) 1.438 8.163 ( 6.164 10.624 9.116) 15.296 8.297 ( -17.081 -5.097 -3.534) 18.172 8.844 ( -1.873 0.724 2.281) 3.039 8.884 ( -5.603 -0.491 0.803) 5.681 9.009 ( -2.601 0.232 0.460) 2.652 9.084 ( 0.650 2.654 0.542) 2.785 9.301 ( 1.759 -3.706 -0.417) 4.123 9.397 ( 0.144 -15.528 -1.655) 15.616 9.732 ( 1.706 1.618 -2.987) 3.801 9.833 ( 0.271 -1.213 1.280) 1.784 10.244 ( -1.836 1.744 5.391) 5.956 10.373 ( -0.697 -2.025 5.476) 5.880 10.513 ( -0.732 3.338 2.719) 4.367 10.665 ( -6.280 -8.519 -10.963) 15.238 10.858 ( -2.364 -3.009 5.553) 6.744 10.984 ( 12.553 -13.737 -1.808) 18.696 11.379 ( -9.350 11.017 -8.604) 16.817 11.621 ( 11.085 7.791 -2.753) 13.826 12.021 ( 0.507 1.166 2.233) 2.570 12.274 ( -2.990 3.834 -3.054) 5.741 12.292 ( 1.406 4.520 0.526) 4.763 12.465 ( 1.342 4.043 -3.859) 5.748 12.593 ( 1.455 -0.375 -0.160) 1.511 12.802 ( 12.352 -6.216 2.903) 14.129 12.862 ( 2.124 1.804 -0.258) 2.799 13.048 ( 2.734 1.873 -6.388) 7.197 13.186 ( 9.062 7.453 1.301) 11.805 14.056 ( 16.960 -9.921 6.890) 20.821 15.556 ( -0.116 0.009 1.233) 1.239 15.794 ( -3.490 -4.699 6.895) 9.044 15.909 ( -0.949 0.209 2.831) 2.993 15.922 ( -0.597 0.193 1.424) 1.556 16.433 ( 4.630 5.408 -0.739) 7.157 16.770 ( 3.008 -3.767 0.751) 4.879 17.405 ( -1.263 1.249 -1.874) 2.582 17.521 ( 0.738 -1.305 3.504) 3.811 19.109 ( 0.629 4.359 0.458) 4.428 19.206 ( -1.205 7.321 -0.752) 7.457 19.358 ( 1.928 1.024 2.464) 3.292 19.568 ( 0.354 -1.344 2.202) 2.604 19.672 ( -3.494 -4.003 4.366) 6.877 19.804 ( 4.007 -2.162 -8.170) 9.354 20.762 ( -32.380 16.005 -12.172) 38.115 22.162 ( -6.533 -17.670 -2.607) 19.019 ======================= Grid point 15 (11/108) ======================= q-point: ( 0.40 0.20 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 7.802 11.066 2.676) 13.802 2.197 ( 4.864 -1.499 0.400) 5.105 2.242 ( 0.006 -2.828 -4.114) 4.992 2.388 ( 2.714 4.668 -0.202) 5.403 2.642 ( 1.070 1.858 0.138) 2.148 2.837 ( 4.778 -3.739 3.996) 7.265 2.886 ( -1.770 -17.096 3.651) 17.571 2.972 ( 6.588 1.127 4.594) 8.110 3.046 ( 1.844 -4.336 1.449) 4.930 3.370 ( -5.957 1.437 0.386) 6.140 3.495 ( 3.887 3.997 4.779) 7.343 3.640 ( -2.563 4.987 -12.160) 13.390 3.841 ( -10.651 19.716 -9.021) 24.157 3.980 ( -2.773 11.151 -1.500) 11.588 4.129 ( 19.126 -10.343 10.067) 23.961 4.248 ( -3.645 0.774 -3.444) 5.074 4.535 ( 0.965 1.678 0.356) 1.968 4.582 ( 1.031 3.509 0.130) 3.659 4.667 ( -0.499 -4.499 1.903) 4.910 4.712 ( 3.354 -4.543 -1.740) 5.909 4.782 ( -0.259 -3.375 -2.101) 3.984 5.044 ( 7.092 1.164 -0.016) 7.187 5.239 ( 0.898 -0.893 5.697) 5.836 5.363 ( 4.580 -3.121 -5.469) 7.786 6.060 ( 2.049 -1.796 1.314) 3.025 6.297 ( -5.467 7.913 0.523) 9.633 6.356 ( -2.324 4.232 -0.018) 4.828 6.465 ( 0.661 -0.920 0.151) 1.143 6.682 ( -0.055 -3.119 -1.094) 3.306 6.713 ( 0.299 3.091 -0.508) 3.147 6.743 ( -1.112 1.681 -5.174) 5.553 6.872 ( -6.007 4.759 8.016) 11.090 7.000 ( -8.448 -0.345 -2.769) 8.897 7.077 ( -0.073 -2.520 1.606) 2.989 7.185 ( 0.652 -3.336 -2.762) 4.380 7.384 ( -1.471 1.574 -2.108) 3.014 7.531 ( -0.153 -4.976 0.282) 4.987 7.580 ( -5.664 -6.594 1.991) 8.918 7.692 ( -3.353 -0.112 -5.731) 6.641 7.934 ( 0.960 -0.637 -0.691) 1.343 8.073 ( -3.436 -3.768 5.795) 7.719 8.315 ( 1.093 0.838 2.195) 2.592 8.786 ( -2.465 -0.270 -0.773) 2.597 8.847 ( -2.352 0.905 3.339) 4.184 8.971 ( -1.620 1.129 0.272) 1.994 9.113 ( 1.468 0.437 -0.004) 1.531 9.324 ( 0.920 -3.559 0.114) 3.678 9.384 ( -0.113 -13.399 -1.659) 13.502 9.741 ( 0.871 1.978 -1.431) 2.593 9.846 ( 0.301 -0.985 0.901) 1.368 10.258 ( -1.155 1.978 6.922) 7.291 10.397 ( 0.250 -2.150 1.121) 2.438 10.488 ( -0.328 0.872 -4.712) 4.803 10.551 ( -0.960 4.108 0.209) 4.224 10.847 ( -2.284 -2.642 3.985) 5.299 11.098 ( -5.844 9.118 -9.735) 14.562 11.244 ( 7.313 -8.028 0.302) 10.864 11.754 ( 3.755 -0.917 -2.035) 4.368 12.045 ( 0.363 8.407 1.726) 8.590 12.203 ( -0.866 4.556 -2.985) 5.515 12.282 ( -1.536 10.587 -0.426) 10.706 12.462 ( 0.669 6.983 -1.754) 7.231 12.618 ( 0.616 2.434 0.684) 2.602 12.878 ( 1.023 1.186 -1.329) 2.054 13.043 ( 7.980 -7.957 1.615) 11.384 13.062 ( 2.355 0.743 -2.434) 3.468 13.331 ( 5.845 0.120 0.919) 5.918 14.358 ( 10.610 -20.925 4.456) 23.881 15.567 ( 0.443 -1.177 0.709) 1.443 15.753 ( -4.204 -3.981 3.979) 7.025 15.910 ( -0.441 0.169 1.505) 1.577 15.918 ( -0.351 0.145 0.442) 0.583 16.483 ( 1.111 6.788 -0.622) 6.907 16.847 ( 4.121 -1.824 0.950) 4.605 17.368 ( -1.493 1.914 -0.492) 2.477 17.560 ( 1.220 -2.328 1.610) 3.082 19.144 ( 3.056 0.105 -0.133) 3.060 19.188 ( -0.242 6.316 -0.340) 6.330 19.384 ( -2.717 -4.377 3.273) 6.104 19.558 ( -2.678 -3.397 -0.309) 4.336 19.650 ( 0.298 2.155 2.744) 3.501 19.806 ( 0.840 0.986 -5.796) 5.939 20.191 ( -18.762 25.180 -7.040) 32.181 22.041 ( -4.225 -19.885 -1.753) 20.404 ======================= Grid point 16 (12/108) ======================= q-point: (-0.50 0.20 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.000 9.182 0.000) 9.182 2.186 ( 0.000 -1.149 0.000) 1.149 2.260 ( 0.000 -3.873 -0.000) 3.873 2.486 ( 0.000 16.240 0.000) 16.240 2.650 ( 0.000 4.307 0.000) 4.307 2.847 ( 0.000 -0.936 0.000) 0.936 2.887 ( 0.000 -17.975 0.000) 17.975 3.053 ( 0.000 6.030 0.000) 6.030 3.180 ( 0.000 9.485 0.000) 9.485 3.194 ( 0.000 -6.617 -0.000) 6.617 3.493 ( 0.000 7.291 -0.000) 7.291 3.623 ( 0.000 12.481 0.000) 12.481 3.647 ( -0.000 3.871 -0.000) 3.871 3.960 ( 0.000 13.560 0.000) 13.560 4.171 ( 0.000 2.526 0.000) 2.526 4.444 ( 0.000 -1.183 0.000) 1.183 4.536 ( 0.000 -2.106 -0.000) 2.106 4.602 ( -0.000 0.690 -0.000) 0.690 4.668 ( 0.000 -4.045 0.000) 4.045 4.762 ( 0.000 -1.534 -0.000) 1.534 4.850 ( 0.000 -10.277 0.000) 10.277 5.014 ( 0.000 -21.263 0.000) 21.263 5.265 ( 0.000 3.527 -0.000) 3.527 5.366 ( 0.000 -4.914 0.000) 4.914 6.154 ( 0.000 1.688 0.000) 1.688 6.198 ( 0.000 10.650 0.000) 10.650 6.326 ( 0.000 6.796 0.000) 6.796 6.477 ( 0.000 -1.612 0.000) 1.612 6.679 ( 0.000 -1.799 0.000) 1.799 6.683 ( 0.000 -1.949 0.000) 1.949 6.742 ( 0.000 5.005 0.000) 5.005 6.845 ( 0.000 6.028 -0.000) 6.028 6.886 ( 0.000 -1.700 0.000) 1.700 7.084 ( 0.000 -5.181 -0.000) 5.181 7.183 ( 0.000 -3.811 0.000) 3.811 7.375 ( -0.000 3.862 0.000) 3.862 7.488 ( 0.000 -1.460 0.000) 1.460 7.538 ( 0.000 -7.253 0.000) 7.253 7.660 ( 0.000 2.862 0.000) 2.862 7.942 ( 0.000 -1.285 0.000) 1.285 8.113 ( 0.000 -8.160 -0.000) 8.160 8.298 ( 0.000 -7.287 0.000) 7.287 8.760 ( 0.000 0.555 0.000) 0.555 8.832 ( 0.000 0.167 -0.000) 0.167 8.957 ( 0.000 1.726 0.000) 1.726 9.125 ( 0.000 -1.903 -0.000) 1.903 9.335 ( 0.000 -3.053 0.000) 3.053 9.377 ( 0.000 -12.483 0.000) 12.483 9.745 ( 0.000 2.068 0.000) 2.068 9.853 ( 0.000 -0.816 0.000) 0.816 10.274 ( 0.000 0.007 -0.000) 0.007 10.394 ( 0.000 -0.973 0.000) 0.973 10.496 ( 0.000 9.806 0.000) 9.806 10.551 ( 0.000 4.412 0.000) 4.412 10.834 ( 0.000 -2.421 -0.000) 2.421 10.965 ( 0.000 12.555 0.000) 12.555 11.349 ( 0.000 -10.518 0.000) 10.518 11.761 ( 0.000 -7.505 -0.000) 7.505 12.054 ( 0.000 12.526 0.000) 12.526 12.197 ( 0.000 7.727 0.000) 7.727 12.262 ( 0.000 10.364 0.000) 10.364 12.464 ( 0.000 8.526 0.000) 8.526 12.623 ( 0.000 5.370 0.000) 5.370 12.883 ( 0.000 -0.739 0.000) 0.739 13.072 ( 0.000 -1.738 -0.000) 1.738 13.123 ( 0.000 -4.383 0.000) 4.383 13.398 ( 0.000 -3.001 0.000) 3.001 14.480 ( 0.000 -27.375 0.000) 27.375 15.575 ( 0.000 -1.989 -0.000) 1.989 15.720 ( 0.000 -3.355 0.000) 3.355 15.912 ( 0.000 0.131 -0.000) 0.131 15.916 ( 0.000 0.112 0.000) 0.112 16.486 ( 0.000 6.271 0.000) 6.271 16.898 ( 0.000 -0.318 0.000) 0.318 17.351 ( 0.000 2.209 0.000) 2.209 17.578 ( 0.000 -2.873 -0.000) 2.873 19.187 ( 0.000 5.765 0.000) 5.765 19.189 ( 0.000 -2.056 0.000) 2.056 19.345 ( 0.000 -7.114 -0.000) 7.114 19.502 ( 0.000 -1.030 0.000) 1.030 19.691 ( 0.000 7.243 -0.000) 7.243 19.777 ( 0.000 2.648 0.000) 2.648 20.002 ( 0.000 24.928 0.000) 24.928 21.994 ( 0.000 -20.758 0.000) 20.758 ======================= Grid point 22 (13/108) ======================= q-point: ( 0.00 0.40 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.000 35.415 0.000) 35.415 1.579 ( 0.000 18.973 0.000) 18.973 1.798 ( 0.000 -3.845 0.000) 3.845 2.137 ( 0.000 -11.892 0.000) 11.892 2.283 ( 0.000 27.142 0.000) 27.142 2.332 ( 0.000 -1.667 0.000) 1.667 2.458 ( 0.000 -6.413 0.000) 6.413 2.605 ( 0.000 20.726 0.000) 20.726 3.003 ( 0.000 -7.739 0.000) 7.739 3.148 ( 0.000 4.747 0.000) 4.747 3.263 ( 0.000 -5.720 0.000) 5.720 3.502 ( 0.000 -21.402 0.000) 21.402 3.830 ( 0.000 12.531 0.000) 12.531 3.882 ( 0.000 1.231 0.000) 1.231 4.082 ( 0.000 -10.116 0.000) 10.116 4.136 ( 0.000 -25.859 0.000) 25.859 4.481 ( 0.000 10.588 0.000) 10.588 4.575 ( 0.000 -0.741 0.000) 0.741 4.628 ( 0.000 -2.469 0.000) 2.469 4.694 ( 0.000 -9.514 0.000) 9.514 4.760 ( 0.000 5.291 0.000) 5.291 4.845 ( 0.000 -2.558 0.000) 2.558 5.265 ( 0.000 2.302 0.000) 2.302 5.332 ( 0.000 -2.741 0.000) 2.741 6.243 ( 0.000 2.886 0.000) 2.886 6.280 ( 0.000 -0.564 0.000) 0.564 6.593 ( 0.000 8.679 0.000) 8.679 6.750 ( 0.000 -4.722 0.000) 4.722 6.757 ( 0.000 5.481 0.000) 5.481 6.792 ( 0.000 0.166 0.000) 0.166 6.883 ( 0.000 -1.078 0.000) 1.078 6.887 ( 0.000 -1.909 0.000) 1.909 7.151 ( 0.000 6.414 0.000) 6.414 7.229 ( 0.000 -0.258 0.000) 0.258 7.310 ( 0.000 5.526 0.000) 5.526 7.441 ( 0.000 -6.112 0.000) 6.112 7.796 ( 0.000 0.609 0.000) 0.609 7.802 ( 0.000 3.599 0.000) 3.599 7.907 ( 0.000 -11.277 0.000) 11.277 7.918 ( 0.000 -8.098 0.000) 8.098 8.534 ( 0.000 19.775 0.000) 19.775 8.889 ( 0.000 2.606 0.000) 2.606 8.905 ( 0.000 -9.746 0.000) 9.746 8.960 ( 0.000 -10.210 0.000) 10.210 9.132 ( 0.000 2.164 0.000) 2.164 9.205 ( 0.000 -4.199 0.000) 4.199 9.727 ( 0.000 1.127 0.000) 1.127 9.729 ( 0.000 0.639 0.000) 0.639 9.736 ( 0.000 2.566 0.000) 2.566 9.784 ( 0.000 -1.816 0.000) 1.816 10.252 ( 0.000 1.565 0.000) 1.565 10.295 ( 0.000 -2.403 0.000) 2.403 10.639 ( 0.000 6.097 0.000) 6.097 10.751 ( 0.000 -4.746 0.000) 4.746 10.826 ( 0.000 12.477 0.000) 12.477 11.080 ( 0.000 -11.215 0.000) 11.215 11.243 ( 0.000 12.613 0.000) 12.613 11.500 ( 0.000 -11.369 0.000) 11.369 11.865 ( 0.000 8.019 0.000) 8.019 12.028 ( 0.000 -6.697 0.000) 6.697 12.281 ( 0.000 4.487 0.000) 4.487 12.330 ( 0.000 0.566 0.000) 0.566 12.431 ( 0.000 0.635 0.000) 0.635 12.457 ( 0.000 -2.895 0.000) 2.895 12.888 ( 0.000 -0.051 0.000) 0.051 12.908 ( 0.000 -1.331 0.000) 1.331 12.980 ( 0.000 1.958 0.000) 1.958 13.023 ( 0.000 -1.543 0.000) 1.543 15.607 ( 0.000 0.908 0.000) 0.908 15.639 ( 0.000 -2.076 0.000) 2.076 15.910 ( 0.000 0.132 0.000) 0.132 15.912 ( 0.000 -0.015 0.000) 0.015 16.296 ( 0.000 1.651 0.000) 1.651 16.321 ( 0.000 -0.647 0.000) 0.647 17.423 ( 0.000 2.786 0.000) 2.786 17.486 ( 0.000 -3.195 0.000) 3.195 19.152 ( 0.000 0.280 0.000) 0.280 19.195 ( 0.000 -4.084 0.000) 4.084 19.439 ( 0.000 2.476 0.000) 2.476 19.494 ( 0.000 -2.696 0.000) 2.696 19.770 ( 0.000 3.665 0.000) 3.665 19.804 ( 0.000 0.262 0.000) 0.262 22.280 ( 0.000 2.875 0.000) 2.875 22.340 ( 0.000 -2.829 0.000) 2.829 ======================= Grid point 23 (14/108) ======================= q-point: ( 0.10 0.40 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -3.764 31.590 -3.629) 32.020 1.577 ( 5.485 33.380 3.287) 33.987 1.866 ( 5.953 -6.550 2.363) 9.161 2.144 ( 2.101 13.244 -0.953) 13.443 2.198 ( 3.062 -16.083 0.747) 16.389 2.396 ( 2.551 -5.908 -2.944) 7.077 2.477 ( 2.756 -5.293 -1.963) 6.282 2.673 ( -5.955 -21.598 -3.632) 22.697 3.050 ( 2.321 9.204 7.670) 12.203 3.161 ( -8.144 -3.580 2.953) 9.373 3.265 ( 14.309 15.612 5.607) 21.907 3.512 ( -1.803 -0.719 2.988) 3.563 3.806 ( 4.846 9.666 -9.263) 14.238 3.951 ( 0.421 2.331 1.323) 2.713 4.098 ( 3.042 -10.771 -4.599) 12.100 4.238 ( 11.060 -26.907 6.962) 29.913 4.490 ( 1.500 9.760 -1.643) 10.011 4.591 ( 2.857 0.955 -2.905) 4.185 4.660 ( 2.662 -3.293 -0.912) 4.331 4.696 ( 0.536 -2.705 -1.153) 2.989 4.769 ( 2.330 0.184 -4.891) 5.421 4.833 ( -0.120 -3.418 -2.009) 3.967 5.198 ( -5.166 1.466 -1.193) 5.501 5.258 ( -7.382 -2.873 1.983) 8.166 6.276 ( 2.871 3.936 1.300) 5.042 6.320 ( 2.449 -0.372 1.430) 2.861 6.586 ( -1.241 7.039 -0.107) 7.148 6.682 ( -0.608 2.482 -8.974) 9.330 6.730 ( -5.225 2.565 7.797) 9.730 6.855 ( 2.595 0.728 5.573) 6.191 6.886 ( 1.190 -2.733 -1.388) 3.289 6.977 ( 4.890 -5.244 1.268) 7.281 7.125 ( -6.629 6.077 11.074) 14.265 7.164 ( -9.017 2.391 9.347) 13.206 7.271 ( 2.579 0.323 -14.625) 14.854 7.389 ( -3.469 -10.264 -4.788) 11.845 7.800 ( 5.246 6.877 -8.755) 12.307 7.831 ( -0.787 1.317 0.884) 1.770 7.916 ( 3.128 3.069 10.844) 11.696 8.132 ( 11.606 -11.896 3.616) 17.009 8.327 ( -16.996 22.309 -7.251) 28.967 8.786 ( -12.755 -19.793 -3.554) 23.814 8.898 ( -1.094 2.028 3.608) 4.281 8.959 ( -0.655 -5.291 2.158) 5.752 9.123 ( -1.208 1.741 -1.264) 2.468 9.189 ( -2.027 -3.399 0.741) 4.026 9.453 ( -16.216 1.564 -3.038) 16.573 9.463 ( -18.762 0.192 -6.071) 19.721 9.737 ( 1.449 2.109 -3.941) 4.699 9.781 ( 1.602 -1.875 -3.792) 4.523 10.270 ( 0.178 1.606 1.402) 2.139 10.311 ( 0.001 -2.282 1.728) 2.863 10.628 ( -0.969 6.012 0.547) 6.114 10.667 ( -7.899 7.328 -3.292) 11.266 10.767 ( -3.357 -2.359 6.750) 7.900 10.940 ( -11.594 -13.104 -1.503) 17.562 11.382 ( 12.777 11.837 -3.801) 17.827 11.596 ( 8.551 -8.720 -3.627) 12.740 11.967 ( 5.866 2.271 2.313) 6.702 12.010 ( -1.632 -1.666 1.336) 2.688 12.350 ( 3.338 7.092 0.471) 7.853 12.439 ( 3.003 1.376 0.141) 3.306 12.457 ( 8.194 -0.730 1.184) 8.312 12.482 ( 1.305 -4.605 -3.681) 6.038 12.969 ( -0.131 3.763 0.738) 3.837 13.005 ( 7.851 2.738 -0.629) 8.338 13.025 ( 5.294 0.602 -0.311) 5.337 13.128 ( 17.644 -5.607 7.146) 19.844 15.603 ( -0.462 1.847 0.368) 1.939 15.654 ( 0.729 -2.993 2.065) 3.709 15.911 ( -1.222 0.199 3.671) 3.874 15.914 ( -0.434 -0.073 1.880) 1.930 16.316 ( 3.725 4.137 -1.005) 5.657 16.423 ( 7.365 -5.870 2.016) 9.632 17.430 ( 0.510 2.387 0.600) 2.513 17.484 ( -0.493 -2.663 0.701) 2.798 19.164 ( 1.613 3.163 1.610) 3.899 19.253 ( 3.190 -5.189 4.374) 7.499 19.454 ( -0.219 2.202 -0.456) 2.259 19.478 ( 0.030 0.065 -0.041) 0.082 19.718 ( -3.703 4.506 -1.507) 6.024 19.788 ( -1.074 -1.993 -3.355) 4.048 22.102 ( -15.738 5.127 -5.827) 17.548 22.222 ( -9.957 -6.663 -3.636) 12.520 ======================= Grid point 24 (15/108) ======================= q-point: ( 0.20 0.40 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 13.667 19.228 2.270) 23.700 1.736 ( 8.204 28.662 3.429) 30.009 2.018 ( 7.087 -16.109 3.277) 17.901 2.267 ( 6.046 -6.039 0.331) 8.552 2.294 ( 8.050 -6.135 -0.606) 10.140 2.406 ( 0.679 -14.374 -1.203) 14.440 2.509 ( 2.857 -3.092 -3.006) 5.173 2.566 ( 1.792 -13.195 -2.072) 13.477 3.022 ( -6.897 1.975 7.003) 10.026 3.095 ( -2.534 -3.806 10.478) 11.432 3.464 ( -0.064 6.960 1.732) 7.172 3.570 ( 2.653 -1.938 3.045) 4.480 3.850 ( 6.524 11.352 -15.839) 20.550 4.075 ( 10.260 5.280 -0.134) 11.539 4.133 ( 8.643 2.752 -0.528) 9.086 4.473 ( 2.863 4.494 0.835) 5.394 4.542 ( 7.045 -8.406 1.353) 11.051 4.616 ( 1.654 -0.749 -3.972) 4.367 4.683 ( -0.303 -0.788 -0.526) 0.994 4.732 ( 3.526 2.965 -1.914) 4.989 4.750 ( 0.373 -5.025 -2.627) 5.683 4.845 ( 6.358 -6.829 -10.097) 13.748 5.120 ( -2.801 0.441 3.458) 4.472 5.165 ( -3.873 -2.924 8.406) 9.706 6.306 ( -2.929 8.190 -1.220) 8.783 6.369 ( 2.303 -0.276 0.815) 2.458 6.529 ( -3.465 5.393 -1.544) 6.593 6.623 ( -1.008 4.497 -4.798) 6.653 6.688 ( -4.379 2.087 6.551) 8.151 6.872 ( -2.988 -5.964 0.164) 6.672 6.927 ( 0.917 3.168 2.526) 4.154 7.007 ( -1.426 1.549 -2.875) 3.564 7.073 ( -7.796 -0.786 13.415) 15.535 7.088 ( -6.191 3.840 16.284) 17.840 7.218 ( 2.356 -3.895 -15.345) 16.005 7.311 ( -0.653 -8.788 -6.416) 10.900 7.720 ( -9.687 5.482 -7.177) 13.244 7.760 ( -4.543 0.862 -6.274) 7.794 7.987 ( -6.920 10.902 -1.941) 13.058 8.147 ( 7.339 10.708 9.946) 16.354 8.262 ( -4.250 -4.962 -5.046) 8.255 8.416 ( -15.601 -18.414 0.833) 24.149 8.896 ( -2.378 2.170 4.004) 5.138 8.947 ( -3.247 -2.769 3.256) 5.368 9.059 ( -3.468 1.673 -1.934) 4.309 9.127 ( -3.822 -4.655 -1.325) 6.167 9.216 ( -3.690 3.098 -2.710) 5.528 9.274 ( -2.247 -2.011 -3.397) 4.542 9.745 ( 1.787 1.722 -2.298) 3.382 9.788 ( 1.043 -2.108 -1.329) 2.702 10.275 ( -1.141 1.690 3.569) 4.111 10.314 ( -1.600 -2.125 4.704) 5.404 10.558 ( 0.611 -0.403 -3.157) 3.240 10.604 ( -2.806 1.163 -1.687) 3.475 10.726 ( -5.667 -6.003 -1.984) 8.491 10.771 ( -2.798 -5.259 7.253) 9.386 11.588 ( 10.751 8.357 -4.118) 14.226 11.690 ( 3.478 -0.719 -6.094) 7.053 12.003 ( 1.012 3.220 2.650) 4.291 12.095 ( 6.015 -5.176 2.652) 8.367 12.377 ( 2.764 0.563 -4.053) 4.938 12.407 ( -2.971 -1.739 -4.772) 5.884 12.532 ( 6.106 3.842 0.297) 7.221 12.628 ( 6.805 -3.517 1.589) 7.823 12.953 ( -0.706 4.227 -2.055) 4.753 13.014 ( 2.120 -2.114 -5.188) 5.990 13.295 ( 11.566 14.059 4.355) 18.719 13.525 ( 16.527 -8.597 6.650) 19.780 15.598 ( -0.607 3.254 0.903) 3.431 15.682 ( -0.092 -4.793 3.357) 5.853 15.913 ( -1.392 0.323 4.113) 4.354 15.919 ( -0.876 -0.198 3.017) 3.148 16.416 ( 7.052 6.072 -0.298) 9.311 16.568 ( 6.261 -7.946 1.032) 10.169 17.445 ( 0.446 1.569 0.187) 1.642 17.479 ( -0.837 -1.634 1.851) 2.607 19.226 ( 1.625 6.338 4.294) 7.827 19.330 ( 0.656 -3.124 4.623) 5.618 19.407 ( -2.343 6.355 -1.294) 6.896 19.501 ( 0.705 -2.851 -0.151) 2.941 19.655 ( -1.407 2.262 -0.387) 2.692 19.729 ( -0.545 -4.101 -6.469) 7.679 21.672 ( -23.128 12.786 -8.636) 27.802 21.970 ( -12.847 -16.121 -4.806) 21.167 ======================= Grid point 25 (16/108) ======================= q-point: ( 0.30 0.40 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 7.780 22.616 0.909) 23.934 1.943 ( 18.204 5.502 6.869) 20.220 2.163 ( 6.622 -12.328 -2.489) 14.214 2.362 ( 4.685 -16.422 9.618) 19.600 2.393 ( 2.118 -1.515 -2.708) 3.757 2.495 ( 10.109 -14.785 -6.229) 18.962 2.627 ( 8.783 1.012 3.156) 9.388 2.642 ( 7.085 -2.176 2.209) 7.734 3.032 ( 1.473 4.264 9.178) 10.226 3.152 ( 1.523 -6.983 10.849) 12.992 3.491 ( 1.984 5.730 3.831) 7.172 3.610 ( 2.635 -5.427 2.165) 6.410 3.848 ( 4.643 8.647 -11.856) 15.391 4.065 ( 1.965 -11.105 -13.780) 17.806 4.382 ( 0.449 13.670 4.805) 14.497 4.524 ( 6.229 13.632 -1.199) 15.036 4.574 ( -2.309 -5.157 -0.988) 5.736 4.621 ( 1.772 0.614 -9.736) 9.915 4.661 ( -1.055 1.330 1.683) 2.390 4.704 ( -1.840 0.965 2.487) 3.241 4.778 ( 0.210 0.421 -6.247) 6.265 4.941 ( 5.830 -6.302 -1.809) 8.774 5.153 ( 2.558 1.557 3.553) 4.647 5.229 ( 2.964 -4.901 5.075) 7.652 6.150 ( -7.344 12.858 -3.877) 15.307 6.357 ( -4.072 -6.048 -2.639) 7.754 6.484 ( -0.932 4.133 -0.468) 4.263 6.573 ( -1.554 1.133 -1.141) 2.236 6.651 ( -4.190 3.956 6.447) 8.647 6.795 ( -4.986 -2.291 4.220) 6.922 6.896 ( -3.850 5.329 -1.996) 6.870 6.977 ( -0.098 -1.075 -3.327) 3.497 7.030 ( -4.941 -1.330 11.042) 12.170 7.087 ( -7.163 0.484 16.260) 17.774 7.156 ( 2.569 -1.764 -16.764) 17.052 7.261 ( -1.036 -8.565 -1.922) 8.839 7.527 ( -4.342 1.932 -5.384) 7.182 7.593 ( -6.512 -4.273 -4.124) 8.813 7.932 ( -1.696 1.225 -0.488) 2.148 7.969 ( -10.482 -0.992 -6.018) 12.127 8.233 ( -10.217 4.257 1.874) 11.226 8.311 ( -0.219 0.534 0.819) 1.002 8.850 ( -3.708 1.541 1.066) 4.155 8.894 ( -3.960 -1.000 3.690) 5.504 9.011 ( -1.056 1.080 -0.062) 1.512 9.091 ( 0.183 -6.456 -0.105) 6.460 9.177 ( -0.489 1.697 -1.708) 2.456 9.245 ( 0.354 -3.606 -2.160) 4.219 9.769 ( 1.865 1.870 -1.438) 3.007 9.804 ( 1.294 -1.558 -0.465) 2.078 10.282 ( -0.801 2.038 4.074) 4.625 10.328 ( -0.400 -2.290 4.585) 5.140 10.531 ( 0.745 1.317 -3.763) 4.056 10.621 ( 3.695 -0.677 0.643) 3.811 10.731 ( 5.509 -6.466 3.278) 9.105 10.776 ( -1.753 -4.668 5.687) 7.564 11.597 ( -5.387 9.289 -8.002) 13.392 11.710 ( 2.780 -0.582 -5.732) 6.397 12.102 ( 6.230 6.359 4.311) 9.891 12.228 ( 6.670 -4.576 0.927) 8.142 12.352 ( 0.613 1.047 -2.078) 2.407 12.431 ( 4.730 -5.946 -2.450) 7.983 12.672 ( 8.042 5.000 1.113) 9.535 12.739 ( 5.028 -0.941 -0.387) 5.130 12.929 ( 0.412 4.791 -2.354) 5.354 13.032 ( 3.133 -3.876 -3.772) 6.251 13.439 ( 1.824 16.537 0.806) 16.657 13.783 ( 6.968 -15.995 3.426) 17.780 15.591 ( -0.905 3.500 1.283) 3.836 15.686 ( -1.970 -5.407 3.281) 6.624 15.914 ( -1.089 0.332 3.098) 3.301 15.921 ( -0.944 -0.237 2.478) 2.663 16.553 ( 6.631 6.029 -0.010) 8.962 16.672 ( 4.888 -5.535 0.370) 7.394 17.441 ( -0.792 2.080 -0.098) 2.228 17.485 ( -0.009 -2.112 1.956) 2.879 19.225 ( -3.595 6.417 2.083) 7.644 19.334 ( -3.107 -2.336 2.583) 4.667 19.370 ( -1.234 6.121 -0.164) 6.246 19.495 ( -0.780 -5.363 -0.685) 5.462 19.659 ( 2.051 2.692 0.577) 3.433 19.737 ( 4.878 -4.103 -3.859) 7.451 21.183 ( -21.536 24.203 -8.090) 33.392 21.703 ( -11.728 -25.573 -4.496) 28.491 ======================= Grid point 26 (17/108) ======================= q-point: ( 0.40 0.40 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 3.948 17.226 1.149) 17.710 2.181 ( 0.684 -1.063 -2.075) 2.430 2.204 ( 3.043 0.444 -2.039) 3.690 2.460 ( 1.310 -19.623 5.224) 20.348 2.523 ( 13.421 7.150 1.241) 15.257 2.663 ( 7.045 -2.355 -0.108) 7.429 2.815 ( 7.164 0.759 4.734) 8.621 2.882 ( 12.019 -6.632 6.270) 15.091 3.118 ( 3.678 8.348 3.427) 9.744 3.296 ( 4.671 -7.566 4.513) 9.971 3.610 ( 6.969 7.347 6.693) 12.139 3.751 ( 9.675 0.243 -0.084) 9.679 3.882 ( 6.373 -1.827 0.675) 6.664 4.030 ( 1.117 -7.050 -3.212) 7.827 4.324 ( -3.477 14.150 -9.544) 17.418 4.424 ( -15.716 18.645 0.075) 24.385 4.524 ( -1.098 -5.700 -2.746) 6.422 4.587 ( -2.193 -1.326 -1.693) 3.072 4.620 ( -4.510 2.595 -5.093) 7.281 4.678 ( 1.189 1.559 -2.403) 3.102 4.722 ( 0.208 -2.488 -0.936) 2.667 4.924 ( -11.908 -14.141 0.166) 18.488 5.232 ( 5.404 1.177 -1.065) 5.632 5.282 ( 2.681 -3.925 -1.291) 4.925 6.120 ( 4.340 7.125 1.528) 8.481 6.286 ( 0.322 -7.499 -0.227) 7.509 6.449 ( -2.490 6.263 -0.751) 6.781 6.563 ( 0.663 -2.400 -1.234) 2.779 6.617 ( -4.330 6.685 6.668) 10.387 6.758 ( -3.310 -1.572 4.309) 5.656 6.802 ( -2.866 3.675 -2.036) 5.086 6.912 ( -4.581 -5.921 -1.798) 7.699 7.012 ( -2.887 3.346 -6.486) 7.849 7.055 ( -3.566 6.321 16.350) 17.889 7.104 ( 2.953 -4.586 -11.550) 12.773 7.283 ( 0.966 -12.224 8.128) 14.712 7.459 ( -0.006 2.712 -3.209) 4.201 7.513 ( -2.510 -2.286 -1.097) 3.568 7.771 ( -5.692 6.804 -5.303) 10.335 7.890 ( -2.922 -3.864 -1.188) 4.988 8.067 ( -5.898 3.537 0.452) 6.892 8.216 ( -7.011 -9.124 -3.978) 12.174 8.804 ( -1.576 2.283 0.216) 2.783 8.852 ( -2.534 -1.212 2.224) 3.582 9.004 ( -0.004 2.636 0.379) 2.663 9.106 ( 0.747 -6.119 0.237) 6.169 9.163 ( -0.081 0.053 -0.770) 0.776 9.243 ( 0.493 -4.916 -1.172) 5.078 9.787 ( 0.889 2.194 -0.944) 2.548 9.824 ( 0.868 -1.371 -0.293) 1.649 10.294 ( -0.279 2.053 1.853) 2.780 10.345 ( 0.118 -2.762 1.091) 2.972 10.620 ( 5.654 9.781 5.186) 12.431 10.660 ( 2.818 6.257 -1.492) 7.023 10.775 ( -2.292 -3.562 5.936) 7.293 10.930 ( 10.252 -14.079 2.957) 17.666 11.409 ( -7.494 12.825 -7.979) 16.861 11.642 ( -4.507 -9.353 -5.400) 11.703 12.248 ( 5.266 10.557 3.616) 12.339 12.336 ( 3.490 8.413 -1.688) 9.263 12.399 ( 4.389 -1.824 1.580) 5.009 12.500 ( 3.425 -5.695 -0.953) 6.714 12.758 ( 2.329 9.372 -0.877) 9.696 12.877 ( 5.768 -4.849 1.143) 7.622 12.957 ( 4.902 4.676 -0.653) 6.806 13.079 ( 3.267 -2.618 -1.461) 4.434 13.403 ( -3.791 12.474 -1.393) 13.111 13.843 ( -1.097 -26.678 0.526) 26.706 15.582 ( -0.821 2.611 0.949) 2.897 15.660 ( -2.367 -4.640 2.056) 5.600 15.915 ( -0.549 0.224 1.534) 1.644 15.919 ( -0.581 -0.123 1.220) 1.357 16.632 ( 2.124 7.405 -0.439) 7.717 16.770 ( 4.600 -5.652 0.526) 7.307 17.424 ( -0.827 3.375 0.098) 3.476 17.497 ( 0.184 -3.596 0.930) 3.719 19.175 ( -1.752 3.135 0.309) 3.605 19.264 ( -4.593 -4.689 1.009) 6.641 19.348 ( -0.722 6.408 -0.207) 6.452 19.470 ( -1.160 -4.956 -0.704) 5.138 19.738 ( 4.358 4.484 1.525) 6.436 19.803 ( 3.044 -1.624 -1.403) 3.725 20.805 ( -13.017 33.682 -4.894) 36.440 21.494 ( -7.238 -32.159 -2.816) 33.084 ======================= Grid point 27 (18/108) ======================= q-point: (-0.50 0.40 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -0.000 14.251 0.000) 14.251 2.166 ( 0.000 -0.794 0.000) 0.794 2.210 ( 0.000 0.666 -0.000) 0.666 2.480 ( 0.000 -20.029 0.000) 20.029 2.715 ( 0.000 4.641 0.000) 4.641 2.726 ( -0.000 2.378 -0.000) 2.378 2.892 ( 0.000 5.039 0.000) 5.039 3.032 ( 0.000 -8.122 0.000) 8.122 3.245 ( 0.000 8.477 0.000) 8.477 3.309 ( 0.000 1.906 0.000) 1.906 3.745 ( 0.000 16.921 -0.000) 16.921 3.857 ( 0.000 16.653 0.000) 16.653 3.929 ( -0.000 14.671 -0.000) 14.671 4.041 ( 0.000 -7.610 0.000) 7.610 4.317 ( 0.000 10.117 0.000) 10.117 4.337 ( 0.000 -11.889 0.000) 11.889 4.374 ( -0.000 -13.472 -0.000) 13.472 4.535 ( -0.000 -8.340 0.000) 8.340 4.594 ( 0.000 -3.333 0.000) 3.333 4.648 ( 0.000 -9.618 -0.000) 9.618 4.684 ( -0.000 -0.059 0.000) 0.059 4.726 ( 0.000 -2.312 0.000) 2.312 5.303 ( -0.000 -0.526 0.000) 0.526 5.309 ( 0.000 0.367 0.000) 0.367 6.208 ( 0.000 3.902 0.000) 3.902 6.311 ( 0.000 -5.449 0.000) 5.449 6.406 ( 0.000 9.133 0.000) 9.133 6.565 ( 0.000 -6.607 -0.000) 6.607 6.591 ( -0.000 9.472 0.000) 9.472 6.718 ( 0.000 1.400 0.000) 1.400 6.802 ( 0.000 -4.938 0.000) 4.938 6.827 ( 0.000 -0.481 0.000) 0.481 6.963 ( 0.000 4.464 -0.000) 4.464 7.087 ( 0.000 -5.628 -0.000) 5.628 7.093 ( -0.000 10.496 0.000) 10.496 7.343 ( 0.000 -11.046 0.000) 11.046 7.440 ( 0.000 2.344 0.000) 2.344 7.479 ( 0.000 -1.485 0.000) 1.485 7.710 ( 0.000 3.428 -0.000) 3.428 7.837 ( 0.000 -8.254 0.000) 8.254 8.024 ( 0.000 0.704 0.000) 0.704 8.111 ( 0.000 -8.021 0.000) 8.021 8.790 ( 0.000 2.433 0.000) 2.433 8.835 ( 0.000 -0.950 0.000) 0.950 9.007 ( 0.000 3.451 -0.000) 3.451 9.113 ( 0.000 -4.330 -0.000) 4.330 9.161 ( 0.000 -1.574 0.000) 1.574 9.244 ( 0.000 -5.338 0.000) 5.338 9.792 ( 0.000 2.263 0.000) 2.263 9.830 ( 0.000 -1.480 0.000) 1.480 10.297 ( 0.000 2.137 -0.000) 2.137 10.350 ( 0.000 -2.723 0.000) 2.723 10.656 ( 0.000 5.548 0.000) 5.548 10.762 ( -0.000 -4.549 0.000) 4.549 10.764 ( 0.000 14.758 -0.000) 14.758 11.056 ( 0.000 -12.386 -0.000) 12.386 11.288 ( 0.000 12.767 0.000) 12.767 11.556 ( 0.000 -12.167 -0.000) 12.167 12.316 ( 0.000 10.796 0.000) 10.796 12.352 ( 0.000 7.225 0.000) 7.225 12.462 ( 0.000 3.640 -0.000) 3.640 12.529 ( 0.000 -3.314 0.000) 3.314 12.790 ( 0.000 9.666 -0.000) 9.666 12.907 ( 0.000 -0.136 0.000) 0.136 13.053 ( 0.000 1.101 0.000) 1.101 13.093 ( -0.000 3.484 0.000) 3.484 13.355 ( 0.000 4.388 0.000) 4.388 13.815 ( 0.000 -33.604 0.000) 33.604 15.577 ( 0.000 2.003 0.000) 2.003 15.642 ( 0.000 -3.946 0.000) 3.946 15.915 ( 0.000 0.146 -0.000) 0.146 15.917 ( 0.000 -0.049 0.000) 0.049 16.647 ( 0.000 8.945 0.000) 8.945 16.819 ( 0.000 -7.003 0.000) 7.003 17.416 ( 0.000 3.930 0.000) 3.930 17.502 ( 0.000 -4.297 0.000) 4.297 19.167 ( 0.000 0.376 0.000) 0.376 19.214 ( -0.000 -4.023 0.000) 4.023 19.341 ( 0.000 6.765 0.000) 6.765 19.454 ( 0.000 -3.909 0.000) 3.909 19.798 ( -0.000 3.158 -0.000) 3.158 19.819 ( 0.000 0.892 0.000) 0.892 20.661 ( 0.000 37.091 0.000) 37.091 21.414 ( 0.000 -34.597 0.000) 34.597 ======================= Grid point 55 (19/108) ======================= q-point: ( 0.00 0.00 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 14.021 0.000 30.357) 33.438 0.806 ( 4.131 0.000 37.880) 38.104 1.350 ( -11.774 0.000 61.013) 62.139 1.849 ( 2.985 0.000 1.394) 3.295 1.918 ( 5.581 0.000 5.359) 7.738 2.203 ( -2.409 0.000 2.380) 3.386 2.593 ( -2.135 0.000 -3.420) 4.032 3.019 ( 8.853 0.000 -5.208) 10.271 3.247 ( -1.626 0.000 -2.905) 3.329 3.290 ( 9.944 0.000 1.194) 10.016 3.420 ( -4.116 0.000 13.891) 14.488 3.557 ( -18.798 0.000 5.774) 19.665 3.682 ( -2.099 0.000 5.783) 6.153 4.003 ( -2.213 0.000 -5.258) 5.705 4.008 ( -2.705 0.000 0.246) 2.716 4.382 ( 0.277 0.000 -0.873) 0.916 4.507 ( 1.290 0.000 -3.105) 3.362 4.644 ( 5.385 0.000 -2.700) 6.024 4.719 ( 3.724 0.000 1.224) 3.920 4.899 ( -1.832 0.000 -1.919) 2.653 5.137 ( -11.925 0.000 3.974) 12.570 5.225 ( -6.546 0.000 -3.625) 7.483 5.433 ( -8.650 0.000 -1.381) 8.759 5.620 ( -13.314 0.000 11.188) 17.391 6.074 ( 6.743 0.000 -11.585) 13.405 6.080 ( 6.511 0.000 1.040) 6.594 6.169 ( 7.900 0.000 -14.075) 16.141 6.461 ( 0.070 0.000 -0.279) 0.288 6.619 ( 4.191 0.000 -7.342) 8.454 6.717 ( 2.425 0.000 -3.041) 3.890 6.807 ( 1.638 0.000 4.883) 5.151 6.869 ( -4.981 0.000 -5.264) 7.247 6.985 ( 3.235 0.000 8.314) 8.921 7.148 ( 1.907 0.000 -2.383) 3.052 7.347 ( 7.229 0.000 -4.008) 8.266 7.529 ( -0.810 0.000 -16.320) 16.340 7.650 ( -2.683 0.000 24.648) 24.793 7.753 ( 3.810 0.000 -7.847) 8.724 7.846 ( -5.744 0.000 17.953) 18.849 8.062 ( 16.316 0.000 -0.080) 16.316 8.226 ( -3.807 0.000 -0.459) 3.835 8.372 ( 1.849 0.000 7.889) 8.102 8.878 ( 3.076 0.000 3.580) 4.720 9.034 ( 0.052 0.000 3.516) 3.516 9.197 ( 0.591 0.000 0.063) 0.594 9.317 ( -1.674 0.000 7.484) 7.669 9.444 ( -1.291 0.000 -2.620) 2.921 9.495 ( -4.059 0.000 -8.395) 9.325 10.013 ( -9.889 0.000 15.962) 18.778 10.034 ( 8.976 0.000 -14.649) 17.180 10.268 ( 3.679 0.000 -8.898) 9.628 10.358 ( 5.061 0.000 -2.868) 5.817 10.665 ( -9.989 0.000 11.582) 15.294 10.765 ( 2.787 0.000 -5.897) 6.523 10.935 ( -4.199 0.000 12.094) 12.802 11.508 ( -5.760 0.000 5.448) 7.928 11.649 ( 11.955 0.000 1.804) 12.090 11.862 ( -7.337 0.000 2.331) 7.698 11.896 ( 3.216 0.000 -0.056) 3.217 12.064 ( 0.041 0.000 -0.697) 0.698 12.339 ( -0.247 0.000 0.748) 0.788 12.406 ( 3.353 0.000 -0.237) 3.361 12.423 ( -3.954 0.000 4.991) 6.367 12.791 ( -6.811 0.000 1.737) 7.029 12.893 ( 6.598 0.000 2.622) 7.100 13.050 ( -7.745 0.000 0.848) 7.791 13.088 ( 3.770 0.000 5.841) 6.952 13.639 ( -71.805 0.000 0.087) 71.805 15.250 ( 10.483 0.000 -30.677) 32.419 15.370 ( 10.094 0.000 -33.349) 34.844 15.475 ( 16.476 0.000 -16.290) 23.169 16.046 ( -33.335 0.000 -17.400) 37.603 16.763 ( 3.090 0.000 26.009) 26.192 17.482 ( -2.451 0.000 9.331) 9.648 17.672 ( -2.823 0.000 8.878) 9.316 17.892 ( -94.343 0.000 7.026) 94.604 19.110 ( 0.082 0.000 -0.407) 0.415 19.141 ( -3.960 0.000 -3.323) 5.169 19.406 ( -0.179 0.000 1.944) 1.952 19.478 ( 1.142 0.000 1.299) 1.730 19.657 ( 10.854 0.000 13.145) 17.047 19.796 ( -11.219 0.000 3.982) 11.905 20.370 ( 137.643 0.000 -1.765) 137.654 22.051 ( -3.028 0.000 -14.906) 15.211 ======================= Grid point 56 (20/108) ======================= q-point: ( 0.10 0.00 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 15.936 0.000 31.807) 35.576 1.366 ( 23.970 0.000 24.850) 34.526 1.744 ( 14.742 0.000 36.315) 39.193 2.019 ( 12.222 0.000 4.214) 12.928 2.193 ( 17.608 0.000 10.360) 20.430 2.286 ( 11.614 0.000 5.567) 12.879 2.522 ( -2.223 0.000 -5.194) 5.650 3.134 ( -1.387 0.000 6.556) 6.701 3.223 ( 1.576 0.000 -5.176) 5.410 3.325 ( -1.182 0.000 -2.527) 2.789 3.421 ( -6.177 0.000 15.005) 16.227 3.469 ( 7.848 0.000 -3.685) 8.670 3.622 ( -7.570 0.000 8.675) 11.513 3.940 ( -4.452 0.000 -2.005) 4.882 4.064 ( 11.671 0.000 -9.327) 14.940 4.325 ( -1.657 0.000 -10.294) 10.427 4.490 ( -0.407 0.000 -5.636) 5.650 4.688 ( -8.736 0.000 0.030) 8.736 4.716 ( 1.028 0.000 5.407) 5.504 4.842 ( -1.209 0.000 -5.095) 5.237 4.956 ( -8.588 0.000 8.701) 12.226 5.114 ( -3.251 0.000 2.612) 4.170 5.323 ( -6.356 0.000 7.612) 9.917 5.331 ( -19.797 0.000 9.265) 21.858 6.133 ( -1.717 0.000 -3.053) 3.503 6.154 ( 8.326 0.000 -12.605) 15.106 6.195 ( 8.170 0.000 -15.875) 17.853 6.488 ( 0.725 0.000 3.579) 3.652 6.626 ( 1.957 0.000 -10.061) 10.249 6.707 ( -2.687 0.000 -1.624) 3.140 6.733 ( -4.555 0.000 -2.807) 5.350 6.832 ( 1.538 0.000 -2.115) 2.615 7.169 ( 1.419 0.000 -2.449) 2.830 7.195 ( 11.375 0.000 9.269) 14.673 7.342 ( -1.857 0.000 -14.029) 14.152 7.519 ( 6.892 0.000 -6.239) 9.296 7.660 ( -8.921 0.000 14.791) 17.273 7.771 ( 3.663 0.000 -6.817) 7.738 7.879 ( -3.308 0.000 16.839) 17.161 8.090 ( -9.297 0.000 -0.341) 9.304 8.342 ( -9.995 0.000 9.090) 13.510 8.485 ( 22.005 0.000 -16.056) 27.240 8.950 ( -0.309 0.000 6.169) 6.176 9.064 ( -0.003 0.000 3.770) 3.770 9.155 ( -3.967 0.000 1.996) 4.441 9.243 ( -12.820 0.000 -8.403) 15.329 9.354 ( -0.895 0.000 9.057) 9.102 9.359 ( -4.755 0.000 -3.860) 6.125 9.959 ( -8.333 0.000 20.405) 22.041 10.089 ( 7.205 0.000 -14.780) 16.443 10.229 ( 2.098 0.000 -14.142) 14.297 10.419 ( 5.101 0.000 -6.085) 7.940 10.713 ( 4.908 0.000 12.474) 13.405 10.724 ( 0.680 0.000 -7.405) 7.437 11.005 ( -5.641 0.000 14.170) 15.252 11.364 ( -12.671 0.000 4.367) 13.402 11.663 ( -15.589 0.000 12.460) 19.956 11.739 ( -34.656 0.000 22.802) 41.484 12.078 ( 2.276 0.000 -3.307) 4.015 12.110 ( 1.641 0.000 12.393) 12.502 12.229 ( 0.055 0.000 11.648) 11.648 12.256 ( -4.296 0.000 0.511) 4.327 12.518 ( 7.590 0.000 1.596) 7.756 12.533 ( -9.367 0.000 2.352) 9.658 12.699 ( -4.459 0.000 7.592) 8.804 12.923 ( -3.820 0.000 -4.511) 5.911 12.941 ( -2.397 0.000 3.446) 4.197 13.389 ( 19.927 0.000 6.708) 21.026 15.245 ( 10.625 0.000 -29.381) 31.243 15.326 ( 11.583 0.000 -34.497) 36.390 15.629 ( 1.257 0.000 -22.655) 22.690 15.692 ( 14.497 0.000 -8.850) 16.985 16.939 ( -3.932 0.000 27.667) 27.945 17.116 ( -25.189 0.000 26.100) 36.273 17.485 ( -3.344 0.000 7.159) 7.902 17.693 ( -2.577 0.000 12.339) 12.605 19.063 ( -2.423 0.000 -2.017) 3.153 19.112 ( 0.388 0.000 -0.284) 0.481 19.448 ( -6.294 0.000 3.203) 7.062 19.465 ( 4.052 0.000 2.286) 4.652 19.664 ( -1.485 0.000 -4.274) 4.524 19.871 ( 2.601 0.000 16.404) 16.608 21.692 ( -21.673 0.000 -20.167) 29.605 21.866 ( 46.158 0.000 -38.355) 60.014 ======================= Grid point 57 (21/108) ======================= q-point: ( 0.20 0.00 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 3.395 0.000 38.754) 38.902 1.883 ( 16.807 0.000 13.237) 21.393 2.081 ( 7.817 0.000 5.214) 9.397 2.311 ( 14.208 0.000 4.558) 14.921 2.401 ( -3.050 0.000 -8.246) 8.792 2.657 ( 20.076 0.000 11.459) 23.116 2.849 ( 32.223 0.000 11.139) 34.094 3.082 ( -6.690 0.000 10.999) 12.874 3.214 ( 1.021 0.000 -6.348) 6.430 3.382 ( -8.485 0.000 10.177) 13.251 3.409 ( 7.293 0.000 -6.283) 9.626 3.535 ( 5.662 0.000 -11.622) 12.928 3.563 ( -4.954 0.000 11.162) 12.213 3.800 ( -8.751 0.000 -0.499) 8.765 4.188 ( 7.666 0.000 -23.264) 24.494 4.283 ( 5.854 0.000 3.631) 6.889 4.364 ( -9.673 0.000 -3.595) 10.319 4.543 ( -3.498 0.000 1.397) 3.767 4.741 ( -3.462 0.000 7.931) 8.654 4.755 ( -2.944 0.000 -5.894) 6.589 4.890 ( -6.000 0.000 8.874) 10.712 5.088 ( -12.522 0.000 17.477) 21.500 5.171 ( 4.048 0.000 1.363) 4.271 5.271 ( -4.915 0.000 9.651) 10.831 6.043 ( -1.125 0.000 -6.571) 6.666 6.207 ( 7.642 0.000 -14.684) 16.554 6.300 ( 10.558 0.000 -9.291) 14.063 6.479 ( -4.058 0.000 -2.332) 4.681 6.528 ( -4.483 0.000 -9.377) 10.394 6.641 ( -2.431 0.000 3.841) 4.546 6.697 ( 1.198 0.000 -1.771) 2.138 6.853 ( 2.052 0.000 -2.573) 3.292 7.151 ( -1.554 0.000 -2.586) 3.017 7.192 ( -2.959 0.000 -15.104) 15.391 7.428 ( 7.893 0.000 -2.906) 8.411 7.589 ( -0.125 0.000 3.098) 3.100 7.601 ( -7.575 0.000 15.484) 17.238 7.789 ( 3.145 0.000 -7.673) 8.293 7.888 ( -8.589 0.000 0.053) 8.589 7.952 ( -3.188 0.000 14.571) 14.916 8.212 ( -7.192 0.000 13.544) 15.335 8.504 ( -7.473 0.000 -11.824) 13.987 8.940 ( -3.775 0.000 6.324) 7.365 9.018 ( -7.514 0.000 -3.724) 8.386 9.072 ( -1.732 0.000 3.028) 3.488 9.133 ( -1.450 0.000 4.770) 4.986 9.280 ( 1.682 0.000 -6.371) 6.590 9.387 ( -1.898 0.000 7.698) 7.929 9.963 ( -6.638 0.000 21.068) 22.089 10.108 ( 5.251 0.000 -13.454) 14.443 10.196 ( 5.983 0.000 -17.894) 18.868 10.458 ( 2.578 0.000 -6.405) 6.904 10.710 ( -3.132 0.000 1.639) 3.535 10.728 ( -26.920 0.000 23.866) 35.976 10.905 ( 1.945 0.000 9.691) 9.884 11.153 ( -8.398 0.000 5.788) 10.200 11.347 ( -13.022 0.000 8.667) 15.643 11.590 ( -4.242 0.000 15.384) 15.958 12.056 ( -1.680 0.000 -5.182) 5.447 12.172 ( 1.773 0.000 3.871) 4.258 12.221 ( -0.904 0.000 1.028) 1.369 12.419 ( -1.068 0.000 -2.757) 2.956 12.660 ( 19.097 0.000 1.797) 19.182 12.670 ( 1.049 0.000 4.701) 4.817 12.744 ( 6.774 0.000 7.170) 9.863 12.877 ( 2.933 0.000 -5.965) 6.647 12.938 ( 1.893 0.000 3.603) 4.070 13.839 ( 22.545 0.000 6.286) 23.405 15.248 ( 10.650 0.000 -28.882) 30.783 15.344 ( 14.776 0.000 -34.237) 37.290 15.568 ( 8.040 0.000 -26.288) 27.490 15.843 ( 5.926 0.000 -6.916) 9.108 16.894 ( -16.830 0.000 28.038) 32.701 17.064 ( -3.583 0.000 22.243) 22.529 17.470 ( -2.507 0.000 6.307) 6.787 17.723 ( -4.384 0.000 14.073) 14.740 19.033 ( 0.181 0.000 -0.148) 0.233 19.116 ( 0.042 0.000 -0.209) 0.213 19.369 ( -2.159 0.000 3.641) 4.233 19.562 ( 4.322 0.000 1.464) 4.564 19.647 ( 2.191 0.000 -6.078) 6.461 19.969 ( -3.943 0.000 15.643) 16.133 21.019 ( -33.239 0.000 -21.530) 39.602 22.136 ( 12.507 0.000 -24.347) 27.372 ======================= Grid point 58 (22/108) ======================= q-point: ( 0.30 0.00 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.053 0.000 31.530) 31.530 2.192 ( 8.692 0.000 8.067) 11.859 2.233 ( 3.574 0.000 10.076) 10.691 2.289 ( -2.456 0.000 -6.437) 6.890 2.552 ( 7.503 0.000 0.681) 7.534 2.923 ( -3.196 0.000 -3.513) 4.749 3.041 ( 3.397 0.000 15.198) 15.573 3.108 ( -10.150 0.000 -10.352) 14.498 3.234 ( -3.577 0.000 -5.104) 6.233 3.388 ( 13.530 0.000 11.266) 17.606 3.447 ( 0.953 0.000 -8.430) 8.483 3.480 ( -6.386 0.000 -9.390) 11.356 3.635 ( 5.728 0.000 8.621) 10.351 3.765 ( 4.000 0.000 2.961) 4.977 4.149 ( 3.850 0.000 -17.162) 17.589 4.237 ( -0.755 0.000 9.035) 9.067 4.466 ( 0.885 0.000 13.566) 13.595 4.546 ( 1.249 0.000 2.643) 2.924 4.696 ( 0.291 0.000 -2.443) 2.461 4.741 ( 1.852 0.000 3.368) 3.844 4.844 ( -1.609 0.000 8.128) 8.286 5.017 ( -4.005 0.000 5.199) 6.563 5.301 ( 4.964 0.000 9.003) 10.280 5.310 ( 1.505 0.000 11.734) 11.830 6.024 ( 4.197 0.000 -10.904) 11.684 6.253 ( 6.537 0.000 -11.800) 13.490 6.339 ( -4.277 0.000 -6.895) 8.114 6.351 ( -6.992 0.000 -9.728) 11.980 6.444 ( 6.683 0.000 -0.838) 6.735 6.661 ( 0.127 0.000 4.489) 4.490 6.722 ( 2.144 0.000 -1.211) 2.463 6.855 ( 0.169 0.000 -4.537) 4.540 7.028 ( -3.996 0.000 -13.263) 13.852 7.095 ( -1.866 0.000 -1.581) 2.446 7.461 ( -11.984 0.000 1.015) 12.027 7.487 ( 4.115 0.000 -7.366) 8.438 7.579 ( -7.978 0.000 19.115) 20.713 7.718 ( -6.185 0.000 -5.338) 8.170 7.788 ( 3.377 0.000 -9.485) 10.068 7.998 ( -6.197 0.000 15.097) 16.319 8.251 ( -9.693 0.000 -0.142) 9.694 8.338 ( 4.901 0.000 16.562) 17.272 8.863 ( -6.656 0.000 -1.528) 6.829 8.928 ( -1.656 0.000 4.252) 4.563 9.034 ( -4.178 0.000 2.066) 4.661 9.149 ( -0.561 0.000 6.447) 6.471 9.309 ( 5.188 0.000 -8.186) 9.692 9.389 ( -1.877 0.000 3.885) 4.314 9.987 ( -5.904 0.000 20.772) 21.595 10.103 ( 4.714 0.000 -16.952) 17.595 10.208 ( 7.293 0.000 -14.452) 16.187 10.335 ( -17.690 0.000 16.019) 23.865 10.505 ( -6.233 0.000 8.633) 10.648 10.739 ( 5.183 0.000 -8.929) 10.324 10.761 ( -14.689 0.000 6.037) 15.881 11.160 ( -12.093 0.000 3.908) 12.709 11.287 ( 8.929 0.000 10.991) 14.161 11.681 ( 3.063 0.000 12.224) 12.602 11.980 ( -2.832 0.000 -2.949) 4.089 12.165 ( -1.421 0.000 -1.748) 2.253 12.200 ( -2.343 0.000 0.807) 2.478 12.424 ( 0.114 0.000 1.217) 1.222 12.662 ( -4.090 0.000 6.276) 7.491 12.879 ( 2.071 0.000 6.432) 6.757 12.913 ( 8.770 0.000 -1.270) 8.862 12.977 ( 9.456 0.000 -2.584) 9.803 13.135 ( 13.647 0.000 2.531) 13.880 14.295 ( 21.517 0.000 4.085) 21.901 15.253 ( 10.881 0.000 -29.166) 31.130 15.403 ( 15.115 0.000 -31.883) 35.285 15.548 ( 9.140 0.000 -27.761) 29.226 15.804 ( -2.463 0.000 -12.146) 12.393 16.807 ( -11.471 0.000 24.442) 27.000 17.139 ( -5.088 0.000 23.113) 23.666 17.481 ( -2.299 0.000 8.869) 9.162 17.714 ( -5.165 0.000 11.117) 12.258 19.067 ( 3.091 0.000 0.502) 3.131 19.112 ( -0.027 0.000 -0.166) 0.168 19.439 ( 4.270 0.000 7.649) 8.760 19.632 ( 2.184 0.000 0.551) 2.252 19.650 ( 2.431 0.000 -4.627) 5.227 19.935 ( -9.366 0.000 11.943) 15.178 20.236 ( -33.491 0.000 -18.341) 38.184 22.136 ( 3.909 0.000 -16.534) 16.989 ======================= Grid point 59 (23/108) ======================= q-point: ( 0.40 0.00 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -0.896 0.000 22.809) 22.827 2.237 ( -0.859 0.000 1.583) 1.801 2.310 ( -0.849 0.000 5.372) 5.439 2.342 ( -2.825 0.000 16.069) 16.315 2.560 ( -0.656 0.000 -4.693) 4.739 2.807 ( -8.789 0.000 -12.685) 15.432 2.866 ( 2.223 0.000 -3.744) 4.355 3.151 ( -6.340 0.000 -2.720) 6.898 3.191 ( 1.851 0.000 -3.991) 4.399 3.315 ( -8.681 0.000 -5.443) 10.246 3.415 ( 8.236 0.000 11.932) 14.499 3.597 ( 0.839 0.000 18.694) 18.713 3.793 ( -2.800 0.000 5.818) 6.456 3.800 ( 2.116 0.000 10.453) 10.665 4.107 ( 2.123 0.000 -9.575) 9.808 4.414 ( 6.269 0.000 5.008) 8.024 4.432 ( -2.767 0.000 -4.151) 4.989 4.594 ( 1.270 0.000 2.980) 3.239 4.693 ( -3.298 0.000 -5.185) 6.145 4.735 ( 3.370 0.000 1.025) 3.522 4.986 ( -0.298 0.000 -0.926) 0.973 5.111 ( 11.623 0.000 13.179) 17.572 5.447 ( 2.267 0.000 12.988) 13.184 5.465 ( 4.356 0.000 12.081) 12.842 5.994 ( 2.746 0.000 -18.351) 18.555 6.119 ( -9.032 0.000 -3.728) 9.771 6.261 ( -2.005 0.000 1.023) 2.251 6.324 ( 7.852 0.000 -14.066) 16.109 6.516 ( 2.645 0.000 -4.009) 4.803 6.688 ( 0.583 0.000 0.704) 0.914 6.745 ( -0.260 0.000 1.092) 1.122 6.793 ( -3.422 0.000 -2.508) 4.243 6.897 ( -0.626 0.000 -8.331) 8.354 7.087 ( 1.958 0.000 -2.231) 2.968 7.280 ( -5.248 0.000 -2.920) 6.006 7.510 ( -7.477 0.000 4.093) 8.524 7.513 ( 3.419 0.000 -5.531) 6.503 7.637 ( -4.408 0.000 12.823) 13.559 7.796 ( 4.927 0.000 -11.061) 12.109 7.899 ( -11.535 0.000 17.523) 20.979 8.212 ( 0.472 0.000 1.077) 1.176 8.452 ( -3.074 0.000 6.889) 7.544 8.768 ( -2.605 0.000 -0.414) 2.638 8.916 ( -2.063 0.000 2.450) 3.203 8.951 ( -4.858 0.000 -0.138) 4.859 9.195 ( 0.306 0.000 4.374) 4.385 9.346 ( 4.585 0.000 -7.629) 8.901 9.379 ( -0.840 0.000 1.671) 1.871 10.023 ( -4.798 0.000 18.968) 19.565 10.039 ( 2.254 0.000 -19.950) 20.077 10.156 ( -13.560 0.000 19.008) 23.350 10.280 ( 7.386 0.000 -8.854) 11.531 10.456 ( -3.132 0.000 1.520) 3.482 10.599 ( -6.577 0.000 11.935) 13.627 10.772 ( 2.783 0.000 -7.948) 8.421 10.986 ( -8.661 0.000 10.449) 13.572 11.508 ( 5.561 0.000 10.926) 12.260 11.846 ( 5.833 0.000 8.976) 10.705 11.923 ( -1.692 0.000 -0.548) 1.778 12.140 ( 0.336 0.000 -2.718) 2.739 12.149 ( -3.611 0.000 1.926) 4.093 12.398 ( -3.146 0.000 1.741) 3.595 12.634 ( -2.941 0.000 6.306) 6.959 12.947 ( 0.219 0.000 7.112) 7.116 13.078 ( 6.417 0.000 5.343) 8.350 13.079 ( 5.030 0.000 -5.923) 7.771 13.352 ( 7.384 0.000 -0.678) 7.415 14.645 ( 12.800 0.000 -1.265) 12.862 15.260 ( 11.040 0.000 -30.022) 31.987 15.463 ( 12.894 0.000 -29.443) 32.142 15.530 ( 9.662 0.000 -29.120) 30.681 15.636 ( -2.596 0.000 -19.352) 19.525 16.784 ( -8.544 0.000 23.219) 24.741 17.182 ( -6.801 0.000 22.267) 23.283 17.483 ( -4.603 0.000 10.887) 11.820 17.701 ( -3.050 0.000 7.688) 8.271 19.120 ( 0.732 0.000 0.422) 0.845 19.144 ( 4.588 0.000 -0.242) 4.594 19.523 ( -0.646 0.000 1.979) 2.082 19.625 ( -18.202 0.000 -10.159) 20.846 19.639 ( -2.912 0.000 1.363) 3.215 19.739 ( 6.526 0.000 8.157) 10.447 19.808 ( -8.832 0.000 5.166) 10.232 22.098 ( 3.127 0.000 -12.445) 12.832 ======================= Grid point 60 (24/108) ======================= q-point: (-0.50 0.00 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -12.553 0.000 32.325) 34.677 2.273 ( 3.505 0.000 5.547) 6.562 2.310 ( -1.667 0.000 4.734) 5.019 2.347 ( -2.337 0.000 5.489) 5.966 2.563 ( 2.810 0.000 -2.414) 3.704 2.711 ( 6.396 0.000 -6.925) 9.427 2.882 ( 4.892 0.000 -12.245) 13.186 2.983 ( -5.649 0.000 -4.274) 7.083 3.112 ( -9.323 0.000 0.333) 9.329 3.250 ( 4.858 0.000 0.515) 4.886 3.675 ( -5.998 0.000 13.344) 14.630 3.725 ( 2.524 0.000 14.697) 14.912 3.786 ( 4.492 0.000 9.686) 10.677 3.829 ( -6.809 0.000 13.223) 14.873 4.138 ( 6.641 0.000 -0.940) 6.707 4.387 ( 0.473 0.000 -4.438) 4.463 4.435 ( -3.491 0.000 -0.350) 3.508 4.600 ( -2.584 0.000 0.453) 2.624 4.616 ( 2.370 0.000 -11.019) 11.271 4.757 ( -0.039 0.000 -6.259) 6.259 4.984 ( -4.027 0.000 7.899) 8.866 5.289 ( -1.501 0.000 8.253) 8.388 5.416 ( -14.533 0.000 7.433) 16.323 5.586 ( -0.439 0.000 11.638) 11.646 5.929 ( 4.851 0.000 -17.002) 17.681 6.065 ( 6.114 0.000 0.842) 6.172 6.263 ( 0.787 0.000 0.940) 1.226 6.352 ( 4.806 0.000 -13.194) 14.042 6.529 ( 2.817 0.000 -8.555) 9.007 6.671 ( 1.119 0.000 -6.155) 6.256 6.745 ( 0.842 0.000 0.866) 1.208 6.747 ( -2.762 0.000 5.965) 6.573 6.901 ( 3.669 0.000 -1.693) 4.041 7.077 ( -1.259 0.000 -6.090) 6.218 7.237 ( 3.370 0.000 -5.446) 6.404 7.460 ( -0.420 0.000 5.530) 5.546 7.538 ( 2.494 0.000 -3.865) 4.600 7.697 ( -1.196 0.000 19.518) 19.554 7.816 ( 5.167 0.000 -11.949) 13.019 7.874 ( -4.504 0.000 19.800) 20.306 8.184 ( -3.040 0.000 -2.637) 4.025 8.299 ( -12.919 0.000 -6.229) 14.343 8.759 ( 1.419 0.000 0.842) 1.650 8.859 ( -4.096 0.000 0.794) 4.173 8.912 ( 0.187 0.000 0.462) 0.498 9.181 ( -3.365 0.000 1.202) 3.573 9.378 ( 3.913 0.000 -7.140) 8.142 9.388 ( 0.148 0.000 2.338) 2.343 9.962 ( 3.658 0.000 -16.765) 17.159 10.023 ( -5.556 0.000 8.722) 10.341 10.128 ( -6.620 0.000 30.027) 30.748 10.285 ( 1.426 0.000 -12.777) 12.856 10.415 ( -2.437 0.000 2.451) 3.457 10.699 ( -0.730 0.000 -12.224) 12.246 10.721 ( 5.588 0.000 20.228) 20.985 11.051 ( 3.188 0.000 17.683) 17.968 11.603 ( -3.847 0.000 10.431) 11.118 11.914 ( 0.745 0.000 0.536) 0.917 11.943 ( -4.051 0.000 8.244) 9.186 12.122 ( -0.099 0.000 2.662) 2.664 12.138 ( 1.622 0.000 -2.840) 3.271 12.389 ( 1.443 0.000 4.151) 4.395 12.645 ( -1.077 0.000 7.972) 8.045 12.977 ( -2.391 0.000 7.453) 7.827 13.076 ( 0.162 0.000 -6.677) 6.679 13.226 ( 2.970 0.000 9.292) 9.755 13.379 ( -2.726 0.000 -4.433) 5.204 14.692 ( -4.882 0.000 -8.299) 9.629 15.248 ( 10.125 0.000 -31.976) 33.540 15.457 ( 8.541 0.000 -31.139) 32.290 15.489 ( 3.290 0.000 -24.690) 24.908 15.538 ( 11.524 0.000 -28.031) 30.308 16.790 ( -7.869 0.000 23.390) 24.678 17.186 ( -8.471 0.000 21.446) 23.059 17.474 ( -3.803 0.000 10.880) 11.526 17.687 ( -3.864 0.000 6.271) 7.366 19.127 ( -0.540 0.000 0.245) 0.593 19.209 ( 1.656 0.000 -0.812) 1.844 19.461 ( -2.061 0.000 -1.220) 2.395 19.524 ( -7.868 0.000 0.595) 7.891 19.548 ( 10.606 0.000 2.491) 10.895 19.733 ( -1.332 0.000 -0.838) 1.573 19.932 ( 4.149 0.000 15.475) 16.022 22.096 ( 5.142 0.000 -11.006) 12.148 ======================= Grid point 61 (25/108) ======================= q-point: (-0.40 0.00 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -25.418 0.000 34.007) 42.457 2.254 ( -8.063 0.000 2.187) 8.354 2.363 ( -0.553 0.000 3.546) 3.589 2.437 ( 7.131 0.000 7.962) 10.688 2.580 ( -2.326 0.000 -4.301) 4.890 2.780 ( -4.033 0.000 -9.590) 10.403 2.906 ( 15.149 0.000 -1.826) 15.259 2.915 ( -4.300 0.000 0.854) 4.384 3.155 ( 16.446 0.000 -2.377) 16.617 3.334 ( 2.351 0.000 2.115) 3.162 3.501 ( -15.795 0.000 -3.216) 16.119 3.634 ( -8.623 0.000 -1.079) 8.691 3.777 ( -6.237 0.000 7.165) 9.500 4.022 ( 1.448 0.000 5.135) 5.335 4.276 ( 0.029 0.000 1.338) 1.339 4.300 ( -11.648 0.000 7.877) 14.061 4.432 ( 8.183 0.000 11.377) 14.015 4.593 ( 6.054 0.000 4.299) 7.425 4.654 ( 6.359 0.000 -5.336) 8.301 4.703 ( -1.309 0.000 -0.800) 1.535 4.971 ( -3.581 0.000 11.761) 12.294 4.978 ( -22.786 0.000 1.093) 22.812 5.331 ( -7.215 0.000 10.520) 12.757 5.606 ( -6.538 0.000 10.333) 12.228 5.950 ( 7.797 0.000 -12.440) 14.682 6.241 ( -2.613 0.000 -2.796) 3.826 6.262 ( 8.906 0.000 2.510) 9.253 6.356 ( 7.689 0.000 -13.208) 15.283 6.461 ( 0.332 0.000 -16.105) 16.108 6.713 ( 4.984 0.000 -6.582) 8.256 6.733 ( -3.420 0.000 7.107) 7.887 6.773 ( 0.578 0.000 0.096) 0.586 6.993 ( -1.169 0.000 -6.430) 6.535 7.018 ( 11.043 0.000 -2.276) 11.275 7.306 ( 6.612 0.000 -4.622) 8.067 7.527 ( 0.706 0.000 11.218) 11.240 7.555 ( 2.414 0.000 -4.044) 4.709 7.806 ( 0.698 0.000 -14.615) 14.631 7.808 ( -1.514 0.000 15.900) 15.972 7.952 ( -14.067 0.000 -8.970) 16.683 7.975 ( -1.567 0.000 13.797) 13.885 8.147 ( 4.924 0.000 3.699) 6.158 8.808 ( -1.376 0.000 -0.880) 1.633 8.828 ( 4.694 0.000 2.383) 5.264 8.932 ( 1.321 0.000 1.072) 1.701 9.121 ( -3.830 0.000 2.434) 4.538 9.385 ( 2.126 0.000 -8.152) 8.425 9.405 ( -0.895 0.000 4.312) 4.404 9.954 ( 6.762 0.000 -15.292) 16.721 9.984 ( -5.289 0.000 10.448) 11.710 10.203 ( 0.858 0.000 -15.938) 15.961 10.264 ( -1.244 0.000 29.875) 29.901 10.401 ( -1.603 0.000 5.842) 6.058 10.632 ( 2.863 0.000 -12.707) 13.025 10.979 ( 5.337 0.000 21.372) 22.028 11.277 ( 6.772 0.000 18.412) 19.618 11.526 ( -10.868 0.000 11.109) 15.541 11.825 ( -12.539 0.000 7.915) 14.828 11.955 ( 3.264 0.000 0.139) 3.267 12.142 ( 0.106 0.000 -1.506) 1.509 12.172 ( 2.958 0.000 1.680) 3.402 12.493 ( 3.964 0.000 6.912) 7.968 12.688 ( -1.244 0.000 9.442) 9.524 12.959 ( -4.669 0.000 7.613) 8.931 12.990 ( -4.671 0.000 -7.899) 9.177 13.204 ( -11.229 0.000 -6.370) 12.910 13.312 ( -1.783 0.000 13.127) 13.247 14.395 ( -17.287 0.000 -11.700) 20.874 15.215 ( 9.867 0.000 -32.445) 33.912 15.387 ( 7.981 0.000 -34.433) 35.345 15.420 ( 8.507 0.000 -29.356) 30.564 15.562 ( 10.764 0.000 -26.736) 28.822 16.810 ( -7.317 0.000 25.289) 26.326 17.155 ( -10.205 0.000 20.993) 23.342 17.497 ( -1.450 0.000 10.270) 10.371 17.640 ( -5.465 0.000 6.264) 8.312 19.121 ( -0.146 0.000 0.337) 0.367 19.162 ( -5.518 0.000 0.702) 5.562 19.397 ( -3.656 0.000 0.897) 3.764 19.443 ( 0.921 0.000 -5.449) 5.526 19.706 ( -1.180 0.000 -1.762) 2.121 19.992 ( 19.413 0.000 10.072) 21.870 20.117 ( 13.457 0.000 14.690) 19.922 22.133 ( 7.124 0.000 -13.152) 14.957 ======================= Grid point 62 (26/108) ======================= q-point: (-0.30 0.00 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -29.323 0.000 33.820) 44.762 2.026 ( -17.427 0.000 0.594) 17.437 2.321 ( -8.015 0.000 2.696) 8.457 2.374 ( -12.761 0.000 -7.021) 14.565 2.601 ( 4.072 0.000 6.898) 8.010 2.640 ( -10.011 0.000 -4.429) 10.947 2.839 ( -3.435 0.000 -1.897) 3.923 3.022 ( -22.009 0.000 -13.078) 25.601 3.201 ( 6.829 0.000 6.228) 9.242 3.368 ( 0.216 0.000 2.416) 2.426 3.394 ( -10.080 0.000 -9.549) 13.885 3.492 ( 14.253 0.000 -3.143) 14.595 3.658 ( -12.196 0.000 9.302) 15.338 3.970 ( 5.592 0.000 -2.882) 6.291 4.272 ( 3.314 0.000 -2.628) 4.230 4.316 ( 0.694 0.000 15.433) 15.449 4.510 ( -11.099 0.000 5.578) 12.422 4.701 ( -0.062 0.000 3.761) 3.762 4.714 ( 0.108 0.000 -1.534) 1.538 4.800 ( 3.738 0.000 11.792) 12.371 4.879 ( 11.160 0.000 7.636) 13.522 5.027 ( 1.422 0.000 14.029) 14.101 5.224 ( -11.248 0.000 13.613) 17.659 5.475 ( -11.976 0.000 7.633) 14.202 6.043 ( 6.948 0.000 -4.087) 8.061 6.183 ( 1.544 0.000 -4.685) 4.933 6.313 ( 2.598 0.000 -8.630) 9.013 6.372 ( 4.375 0.000 -21.968) 22.399 6.531 ( 11.690 0.000 -1.715) 11.815 6.691 ( 0.394 0.000 -7.997) 8.006 6.721 ( -3.497 0.000 5.593) 6.596 6.751 ( -1.225 0.000 -4.604) 4.765 6.988 ( 3.798 0.000 -4.723) 6.061 7.251 ( 9.453 0.000 -3.016) 9.923 7.381 ( 5.998 0.000 -8.283) 10.227 7.542 ( -1.465 0.000 -18.201) 18.260 7.592 ( 0.222 0.000 2.857) 2.866 7.632 ( 0.218 0.000 16.305) 16.307 7.825 ( -5.776 0.000 11.293) 12.685 7.845 ( 0.663 0.000 -6.281) 6.316 8.013 ( 1.023 0.000 8.961) 9.019 8.396 ( 13.243 0.000 2.447) 13.467 8.790 ( 0.015 0.000 -1.030) 1.030 8.959 ( 7.311 0.000 2.352) 7.680 8.972 ( 2.221 0.000 0.520) 2.281 9.078 ( -2.866 0.000 3.546) 4.559 9.352 ( 0.960 0.000 -7.973) 8.031 9.404 ( -3.162 0.000 6.166) 6.930 9.965 ( -5.545 0.000 13.651) 14.735 9.986 ( 6.439 0.000 -14.598) 15.955 10.129 ( 3.984 0.000 -16.643) 17.114 10.352 ( 0.413 0.000 -2.551) 2.584 10.530 ( 5.781 0.000 6.676) 8.831 10.682 ( 2.970 0.000 27.398) 27.559 11.175 ( -0.510 0.000 19.183) 19.190 11.387 ( -10.661 0.000 11.900) 15.977 11.485 ( -1.261 0.000 9.585) 9.668 11.660 ( -7.520 0.000 17.363) 18.922 12.032 ( 5.130 0.000 -1.812) 5.441 12.126 ( -1.048 0.000 -0.221) 1.071 12.229 ( 1.634 0.000 1.651) 2.323 12.582 ( -1.168 0.000 6.440) 6.545 12.682 ( -5.708 0.000 3.333) 6.610 12.779 ( -10.885 0.000 -7.792) 13.387 12.911 ( -9.433 0.000 7.080) 11.794 12.956 ( -6.292 0.000 1.219) 6.409 13.344 ( -5.038 0.000 15.396) 16.200 13.955 ( -20.424 0.000 -10.969) 23.183 15.189 ( 10.748 0.000 -31.477) 33.262 15.304 ( 9.325 0.000 -36.676) 37.843 15.390 ( 10.283 0.000 -32.834) 34.407 15.581 ( 10.299 0.000 -25.576) 27.572 16.869 ( -5.798 0.000 29.153) 29.724 17.090 ( -11.544 0.000 20.437) 23.472 17.543 ( -1.289 0.000 6.052) 6.188 17.583 ( -4.938 0.000 10.366) 11.482 19.089 ( -1.971 0.000 2.040) 2.837 19.123 ( -0.011 0.000 0.153) 0.154 19.355 ( -1.839 0.000 2.733) 3.294 19.434 ( 1.959 0.000 -7.406) 7.661 19.654 ( -3.112 0.000 -2.312) 3.877 20.112 ( -4.820 0.000 15.899) 16.613 20.813 ( 39.139 0.000 6.878) 39.739 22.155 ( 6.595 0.000 -21.873) 22.846 ======================= Grid point 63 (27/108) ======================= q-point: (-0.20 0.00 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -30.498 0.000 32.187) 44.341 1.593 ( -30.718 0.000 3.274) 30.892 1.957 ( -35.008 0.000 0.954) 35.021 2.082 ( -12.408 0.000 -5.827) 13.708 2.271 ( -20.898 0.000 -5.228) 21.542 2.513 ( -18.235 0.000 2.032) 18.348 2.673 ( -1.075 0.000 3.449) 3.612 2.846 ( 5.047 0.000 -2.333) 5.560 3.148 ( -6.574 0.000 -6.454) 9.212 3.342 ( 0.073 0.000 3.111) 3.112 3.437 ( 6.680 0.000 4.219) 7.900 3.500 ( -11.411 0.000 13.424) 17.619 3.717 ( 8.471 0.000 3.539) 9.181 4.137 ( 7.951 0.000 -4.318) 9.048 4.340 ( -4.186 0.000 -3.721) 5.601 4.373 ( 2.940 0.000 1.578) 3.337 4.435 ( 2.759 0.000 5.448) 6.106 4.612 ( -5.912 0.000 -8.446) 10.310 4.692 ( -6.858 0.000 2.856) 7.429 4.857 ( 0.559 0.000 6.441) 6.465 5.056 ( -1.350 0.000 11.308) 11.388 5.208 ( 5.922 0.000 20.680) 21.511 5.217 ( 1.606 0.000 14.118) 14.209 5.381 ( -2.728 0.000 6.777) 7.305 6.107 ( 2.488 0.000 -0.752) 2.599 6.229 ( 0.470 0.000 -2.786) 2.825 6.270 ( -0.503 0.000 -10.635) 10.647 6.378 ( 16.237 0.000 -25.928) 30.593 6.665 ( 3.577 0.000 -9.688) 10.327 6.669 ( -1.230 0.000 -7.714) 7.812 6.707 ( -3.822 0.000 11.310) 11.938 6.727 ( 9.428 0.000 -2.280) 9.699 7.033 ( 4.344 0.000 -4.953) 6.588 7.114 ( -9.855 0.000 -2.503) 10.167 7.416 ( 0.548 0.000 -8.080) 8.099 7.645 ( 7.588 0.000 -9.363) 12.052 7.717 ( 12.367 0.000 -6.736) 14.082 7.726 ( -2.539 0.000 15.052) 15.265 7.805 ( -5.650 0.000 16.599) 17.534 7.830 ( 6.916 0.000 -1.204) 7.020 8.120 ( 3.907 0.000 6.621) 7.688 8.494 ( -0.868 0.000 -19.810) 19.829 8.793 ( 0.681 0.000 -0.043) 0.683 9.015 ( 1.238 0.000 0.965) 1.569 9.069 ( -0.004 0.000 3.805) 3.805 9.164 ( 14.046 0.000 3.006) 14.364 9.360 ( 3.976 0.000 -2.008) 4.454 9.370 ( -4.836 0.000 6.298) 7.940 9.966 ( -5.387 0.000 17.941) 18.732 9.978 ( 4.064 0.000 -14.228) 14.798 10.149 ( 8.313 0.000 -13.786) 16.098 10.325 ( 0.959 0.000 -7.879) 7.937 10.595 ( 7.528 0.000 -13.663) 15.600 11.109 ( -16.066 0.000 14.313) 21.517 11.157 ( 11.153 0.000 54.012) 55.152 11.314 ( -14.486 0.000 11.742) 18.647 11.407 ( 1.461 0.000 12.832) 12.915 11.850 ( 5.618 0.000 25.268) 25.885 12.087 ( -5.127 0.000 -0.011) 5.127 12.096 ( 2.396 0.000 -2.538) 3.491 12.256 ( 0.146 0.000 1.627) 1.633 12.322 ( -18.300 0.000 -9.944) 20.827 12.565 ( -2.518 0.000 -3.275) 4.131 12.750 ( -11.108 0.000 9.095) 14.357 12.757 ( 4.307 0.000 18.256) 18.757 12.968 ( -0.732 0.000 8.465) 8.496 13.332 ( -7.221 0.000 16.075) 17.623 13.506 ( -19.763 0.000 -8.950) 21.695 15.200 ( 12.588 0.000 -29.552) 32.121 15.259 ( 12.411 0.000 -35.124) 37.252 15.355 ( 9.896 0.000 -33.121) 34.568 15.613 ( 11.110 0.000 -21.976) 24.625 16.966 ( -12.131 0.000 31.358) 33.622 17.035 ( -3.101 0.000 23.821) 24.022 17.501 ( -4.756 0.000 6.032) 7.681 17.623 ( -1.035 0.000 10.496) 10.547 19.120 ( -0.250 0.000 -0.162) 0.298 19.127 ( 2.980 0.000 4.337) 5.262 19.369 ( 1.044 0.000 3.134) 3.304 19.414 ( 1.133 0.000 -5.298) 5.418 19.560 ( -4.676 0.000 -2.617) 5.359 20.084 ( -8.885 0.000 13.977) 16.562 21.533 ( 32.812 0.000 0.891) 32.824 21.998 ( -3.183 0.000 -46.339) 46.448 ======================= Grid point 64 (28/108) ======================= q-point: (-0.10 0.00 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -39.683 0.000 8.051) 40.492 0.981 ( -36.782 0.000 17.538) 40.749 1.375 ( -32.555 0.000 47.863) 57.885 1.879 ( -5.532 0.000 -1.920) 5.856 1.944 ( -10.067 0.000 -1.248) 10.144 2.296 ( -9.455 0.000 4.311) 10.391 2.648 ( -2.141 0.000 -0.805) 2.287 2.928 ( 7.467 0.000 -11.168) 13.435 3.116 ( 3.616 0.000 6.362) 7.318 3.314 ( -3.141 0.000 -0.872) 3.260 3.417 ( -5.764 0.000 11.368) 12.746 3.603 ( 4.505 0.000 8.549) 9.663 3.800 ( -5.965 0.000 5.745) 8.282 4.092 ( -8.314 0.000 0.694) 8.343 4.174 ( -10.141 0.000 -1.603) 10.267 4.388 ( -3.358 0.000 1.471) 3.667 4.488 ( 2.170 0.000 -1.065) 2.417 4.557 ( 7.500 0.000 -9.090) 11.785 4.632 ( 3.214 0.000 -1.491) 3.543 4.906 ( 1.258 0.000 0.429) 1.329 5.145 ( 2.055 0.000 14.432) 14.578 5.352 ( -5.158 0.000 1.830) 5.473 5.360 ( 7.044 0.000 7.718) 10.449 5.525 ( 9.250 0.000 19.457) 21.544 6.109 ( -2.283 0.000 -5.072) 5.562 6.149 ( -3.262 0.000 -12.781) 13.191 6.179 ( 0.860 0.000 -10.499) 10.535 6.489 ( 7.256 0.000 -18.266) 19.654 6.607 ( 1.916 0.000 -8.835) 9.040 6.685 ( 4.179 0.000 -5.620) 7.003 6.732 ( -2.591 0.000 13.666) 13.910 6.876 ( 5.819 0.000 0.055) 5.819 6.978 ( -5.232 0.000 3.728) 6.424 7.097 ( 5.582 0.000 -3.500) 6.589 7.330 ( -1.317 0.000 -9.246) 9.340 7.659 ( -0.882 0.000 -14.064) 14.092 7.711 ( -13.511 0.000 18.012) 22.516 7.721 ( 4.876 0.000 -7.162) 8.664 7.817 ( -4.898 0.000 16.130) 16.858 8.125 ( -12.442 0.000 -17.849) 21.757 8.155 ( 16.147 0.000 3.569) 16.537 8.235 ( -0.241 0.000 4.197) 4.204 8.818 ( 1.488 0.000 1.633) 2.210 9.023 ( -1.140 0.000 3.228) 3.424 9.136 ( 4.172 0.000 1.307) 4.372 9.324 ( -3.896 0.000 5.919) 7.086 9.432 ( 3.639 0.000 -0.721) 3.709 9.454 ( 11.805 0.000 -1.897) 11.957 9.979 ( 6.501 0.000 -13.615) 15.087 10.019 ( -3.563 0.000 20.436) 20.745 10.220 ( 7.388 0.000 -10.092) 12.507 10.299 ( 3.040 0.000 -7.746) 8.321 10.671 ( 8.386 0.000 -7.250) 11.086 10.870 ( -17.947 0.000 12.300) 21.758 11.066 ( -14.101 0.000 9.263) 16.871 11.507 ( 0.302 0.000 8.693) 8.698 11.694 ( 11.640 0.000 13.422) 17.766 11.751 ( -18.151 0.000 -8.494) 20.040 12.022 ( -7.538 0.000 10.445) 12.881 12.084 ( -1.704 0.000 0.087) 1.706 12.260 ( 9.725 0.000 6.056) 11.457 12.279 ( 2.469 0.000 0.410) 2.503 12.551 ( -7.208 0.000 4.891) 8.711 12.665 ( 4.314 0.000 3.448) 5.522 12.986 ( -4.849 0.000 5.478) 7.316 13.130 ( 0.995 0.000 11.912) 11.954 13.135 ( -12.357 0.000 -3.472) 12.835 13.581 ( 33.099 0.000 51.339) 61.084 15.250 ( 12.594 0.000 -29.510) 32.085 15.323 ( 16.984 0.000 -28.892) 33.514 15.340 ( 12.106 0.000 -26.861) 29.463 15.842 ( 30.528 0.000 4.475) 30.854 16.827 ( -18.424 0.000 18.730) 26.273 17.452 ( 30.208 0.000 58.640) 65.963 17.473 ( -3.344 0.000 8.182) 8.839 17.661 ( -2.023 0.000 8.923) 9.149 19.113 ( -0.201 0.000 -0.340) 0.395 19.188 ( 0.157 0.000 -0.510) 0.534 19.425 ( 2.656 0.000 1.993) 3.320 19.426 ( -1.796 0.000 1.820) 2.557 19.505 ( 4.102 0.000 3.269) 5.245 19.971 ( -11.742 0.000 10.205) 15.557 21.013 ( -69.217 0.000 -97.922) 119.916 21.992 ( 17.161 0.000 -7.128) 18.582 ======================= Grid point 65 (29/108) ======================= q-point: ( 0.00 0.20 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -16.888 31.298 13.529) 38.050 1.199 ( 8.460 27.319 26.259) 38.826 1.733 ( -3.461 24.181 32.050) 40.298 1.919 ( 1.918 5.780 -0.422) 6.105 1.999 ( 4.900 9.481 5.323) 11.926 2.322 ( 1.231 13.024 9.510) 16.173 2.535 ( -1.803 -4.805 -3.380) 6.145 3.005 ( -3.627 -23.181 9.593) 25.348 3.060 ( 6.194 1.754 -3.372) 7.267 3.287 ( 1.522 -2.836 1.757) 3.667 3.326 ( 2.125 -1.608 3.848) 4.681 3.580 ( -13.519 2.763 2.570) 14.035 3.645 ( 3.552 -0.718 -1.599) 3.961 3.974 ( -7.442 -3.912 -0.216) 8.410 4.187 ( -3.453 -4.111 -3.008) 6.154 4.300 ( 0.449 7.917 1.156) 8.014 4.490 ( 1.421 -3.791 -7.543) 8.561 4.595 ( 3.147 -1.063 0.497) 3.358 4.730 ( -0.859 -2.522 3.469) 4.374 4.824 ( 0.166 -5.005 -1.682) 5.283 5.004 ( -6.485 -10.576 11.102) 16.648 5.125 ( -9.546 -12.591 7.023) 17.291 5.280 ( -6.137 -7.679 1.629) 9.964 5.471 ( -1.485 -3.144 9.309) 9.937 6.157 ( -2.505 7.644 -6.003) 10.037 6.181 ( 4.524 5.020 -6.196) 9.169 6.290 ( 10.207 5.656 -13.962) 18.196 6.466 ( 0.876 0.914 -3.798) 4.003 6.671 ( 4.720 1.136 -9.875) 11.004 6.726 ( 0.094 4.582 -0.094) 4.584 6.881 ( 1.229 1.860 -2.546) 3.384 6.922 ( 2.819 1.514 -1.802) 3.672 7.007 ( -0.299 1.494 7.044) 7.207 7.089 ( 5.825 -1.454 -6.284) 8.692 7.515 ( -0.080 0.455 -13.849) 13.856 7.587 ( -13.407 4.724 10.847) 17.880 7.729 ( 3.496 -0.589 -6.524) 7.425 7.791 ( 0.490 4.006 11.531) 12.217 7.937 ( -0.812 15.683 -7.891) 17.575 8.118 ( 3.230 0.708 -4.301) 5.425 8.177 ( 3.479 -0.405 2.860) 4.522 8.370 ( 10.450 0.900 1.493) 10.595 8.891 ( 2.378 1.328 2.848) 3.941 9.011 ( 0.687 -2.545 2.472) 3.614 9.173 ( -1.951 0.035 2.945) 3.532 9.305 ( -0.816 -1.164 5.746) 5.920 9.424 ( -1.262 -2.113 -2.431) 3.460 9.493 ( -3.699 -0.870 -6.830) 7.816 9.970 ( 0.405 -0.384 -3.950) 3.989 10.125 ( -3.859 5.701 4.570) 8.263 10.208 ( 4.948 -4.744 -11.771) 13.622 10.391 ( 3.949 2.221 -2.422) 5.138 10.629 ( -1.318 -1.724 -0.625) 2.259 10.868 ( -3.503 8.218 8.510) 12.338 11.035 ( -7.697 6.882 11.207) 15.238 11.331 ( -8.416 -13.753 11.735) 19.942 11.662 ( 8.190 -1.704 5.132) 9.814 11.780 ( -9.811 -10.698 5.920) 15.676 11.863 ( -14.332 -7.325 17.721) 23.939 12.082 ( -0.852 1.635 0.033) 1.844 12.274 ( 4.665 -6.586 5.453) 9.740 12.336 ( -4.974 -1.152 2.842) 5.844 12.466 ( 1.017 0.511 1.688) 2.035 12.590 ( -17.770 -11.577 10.734) 23.770 12.889 ( 7.248 0.097 1.787) 7.466 13.019 ( -4.917 -1.913 2.311) 5.760 13.073 ( 3.196 -2.702 7.451) 8.546 13.171 ( -21.821 -13.602 17.678) 31.204 15.253 ( 10.432 0.358 -30.334) 32.079 15.391 ( 11.646 1.675 -31.293) 33.432 15.415 ( 13.302 -4.969 -19.414) 24.053 15.703 ( 1.762 -15.410 -15.486) 21.918 16.752 ( -1.202 -0.539 26.814) 26.846 16.950 ( -15.168 -16.173 39.512) 45.308 17.493 ( -2.517 1.025 8.669) 9.085 17.654 ( -2.587 -2.328 9.055) 9.700 19.139 ( -1.881 0.500 -1.528) 2.475 19.379 ( 3.279 -6.318 4.449) 8.394 19.414 ( -0.313 1.439 1.029) 1.797 19.518 ( -8.724 2.436 -1.814) 9.238 19.750 ( 1.443 5.128 8.783) 10.273 19.818 ( -8.718 2.158 4.223) 9.924 21.472 ( 39.408 45.497 -51.987) 79.534 22.056 ( -2.051 0.315 -16.127) 16.260 ======================= Grid point 66 (30/108) ======================= q-point: ( 0.10 0.20 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 19.265 2.502 22.682) 29.864 1.514 ( 2.372 17.981 36.657) 40.898 1.982 ( 10.835 6.147 14.487) 19.106 2.057 ( 11.163 2.907 2.815) 11.874 2.123 ( 5.738 3.914 -0.813) 6.993 2.476 ( -0.510 -1.983 -5.076) 5.473 2.681 ( 22.148 24.570 16.958) 37.173 3.009 ( -3.267 -24.359 8.220) 25.915 3.096 ( -3.871 -4.991 2.808) 6.912 3.253 ( 2.810 0.534 -4.580) 5.400 3.380 ( -6.389 2.098 3.808) 7.728 3.467 ( 2.468 -2.164 0.966) 3.421 3.617 ( -4.933 0.220 7.744) 9.185 3.969 ( 6.942 -6.667 -6.637) 11.692 4.084 ( -2.863 -3.566 -6.961) 8.329 4.267 ( -3.813 9.644 -1.695) 10.509 4.472 ( 1.572 -2.548 -6.345) 7.016 4.627 ( -2.222 -3.852 2.102) 4.918 4.716 ( 0.604 -2.846 0.299) 2.924 4.800 ( -1.374 -2.972 -5.375) 6.294 4.955 ( -5.954 -3.021 9.603) 11.696 4.991 ( -8.879 -11.193 10.655) 17.823 5.185 ( -3.537 -0.928 -0.168) 3.661 5.467 ( -5.085 0.051 12.386) 13.390 6.111 ( 0.661 7.773 -7.499) 10.820 6.239 ( 6.795 4.938 -7.383) 11.183 6.346 ( 4.300 6.944 -13.956) 16.171 6.468 ( 0.709 -1.220 2.041) 2.481 6.646 ( -0.068 0.666 -9.899) 9.922 6.711 ( -2.152 6.889 0.652) 7.246 6.849 ( -1.171 0.812 -4.746) 4.955 6.898 ( -1.851 7.286 -4.604) 8.816 7.135 ( 4.275 -3.756 -1.159) 5.808 7.167 ( 5.926 -2.398 6.550) 9.153 7.398 ( -1.623 5.456 -14.051) 15.160 7.500 ( 0.272 -0.598 0.144) 0.672 7.735 ( -2.095 0.938 0.035) 2.296 7.804 ( -2.755 7.389 3.200) 8.510 7.874 ( -7.943 -2.871 14.591) 16.859 8.055 ( -5.177 0.643 7.172) 8.869 8.277 ( 3.696 -2.909 -7.927) 9.217 8.566 ( 8.379 1.907 -9.005) 12.447 8.956 ( 0.575 0.487 5.466) 5.518 9.045 ( 0.575 -2.006 2.678) 3.395 9.135 ( -4.092 -0.304 2.508) 4.809 9.261 ( -11.005 1.068 -7.521) 13.372 9.311 ( -4.680 -2.555 2.861) 6.051 9.358 ( -2.725 -1.586 1.842) 3.652 9.941 ( -5.441 -0.884 13.193) 14.298 10.105 ( 2.575 1.553 -6.555) 7.212 10.198 ( 4.082 -3.045 -15.414) 16.234 10.416 ( 0.407 -2.276 -1.675) 2.855 10.643 ( -3.009 -4.542 9.681) 11.108 10.758 ( -2.619 3.225 -4.698) 6.271 10.967 ( -20.430 -9.568 23.767) 32.769 11.304 ( -3.326 -7.216 16.662) 18.460 11.340 ( -25.940 -10.867 15.709) 32.214 11.707 ( -6.206 0.289 3.508) 7.135 11.996 ( 9.434 0.064 3.620) 10.105 12.098 ( 2.757 -0.297 0.803) 2.887 12.251 ( -0.526 2.477 5.582) 6.129 12.449 ( 0.181 -2.461 -1.586) 2.934 12.473 ( 2.210 3.249 5.870) 7.064 12.521 ( 7.568 -0.457 1.544) 7.738 12.881 ( -7.857 6.831 -0.178) 10.413 12.948 ( -4.875 5.588 4.765) 8.815 12.987 ( -0.613 4.159 2.154) 4.724 13.370 ( 19.389 -2.205 7.254) 20.818 15.237 ( 9.851 0.336 -29.676) 31.270 15.379 ( 12.273 4.068 -31.868) 34.391 15.532 ( 9.976 -6.950 -20.371) 23.723 15.680 ( 9.584 -2.600 -15.579) 18.474 16.902 ( -12.489 -5.539 32.742) 35.478 16.931 ( -3.557 -7.849 23.112) 24.666 17.498 ( -2.881 1.351 7.386) 8.042 17.673 ( -2.728 -2.178 11.313) 11.840 19.119 ( 0.057 5.061 1.443) 5.263 19.292 ( -6.128 10.705 -2.626) 12.612 19.437 ( -1.340 -1.433 3.823) 4.297 19.482 ( 1.882 1.046 1.824) 2.822 19.662 ( -4.061 0.813 -1.901) 4.557 19.861 ( -0.354 -1.276 12.562) 12.632 21.720 ( -18.683 2.723 -20.716) 28.029 21.886 ( 25.945 0.711 -33.467) 42.352 ======================= Grid point 67 (31/108) ======================= q-point: ( 0.20 0.20 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 22.155 -6.372 13.557) 26.744 1.789 ( -0.187 10.767 37.680) 39.188 2.209 ( 5.443 6.503 2.195) 8.760 2.262 ( 8.165 -4.028 0.624) 9.125 2.401 ( 18.113 -9.718 7.392) 21.844 2.443 ( 5.561 2.515 -1.870) 6.383 2.879 ( -7.638 -25.450 -5.028) 27.043 3.018 ( -1.192 -8.119 10.425) 13.267 3.228 ( -3.431 1.285 6.552) 7.507 3.241 ( 12.971 14.337 4.335) 19.814 3.395 ( 6.226 -0.103 -8.454) 10.500 3.490 ( -2.052 -3.369 12.162) 12.785 3.677 ( 4.820 2.491 9.229) 10.705 4.019 ( -0.284 -6.427 -3.472) 7.310 4.047 ( 3.772 3.753 -6.072) 8.073 4.150 ( -2.888 9.117 -10.589) 14.268 4.478 ( 3.876 2.445 -3.678) 5.876 4.596 ( -0.396 -1.572 0.286) 1.646 4.700 ( -1.951 -3.075 -7.052) 7.937 4.730 ( -2.349 -3.271 1.296) 4.230 4.891 ( -5.209 -6.028 8.821) 11.886 4.978 ( -3.066 1.534 11.550) 12.048 5.163 ( -0.114 1.547 1.904) 2.456 5.470 ( -5.578 6.622 16.477) 18.613 6.024 ( -3.571 4.614 -5.959) 8.340 6.306 ( 3.983 6.026 -11.037) 13.191 6.351 ( 10.011 4.419 -12.730) 16.787 6.502 ( -0.842 -2.036 3.224) 3.905 6.544 ( -2.442 3.265 -10.701) 11.452 6.641 ( -4.557 6.447 -0.848) 7.941 6.775 ( -2.867 1.358 0.406) 3.198 6.893 ( 2.732 4.904 -4.038) 6.915 7.137 ( -1.579 -1.276 -2.947) 3.578 7.198 ( -1.609 -1.509 -9.871) 10.115 7.388 ( 3.756 -2.147 -1.851) 4.706 7.493 ( -1.806 -3.945 -0.226) 4.345 7.652 ( -9.310 1.362 11.364) 14.753 7.794 ( 1.160 -0.351 -3.041) 3.274 7.825 ( -5.469 -5.129 13.017) 15.022 8.041 ( -6.142 6.363 -3.778) 9.617 8.230 ( 0.351 1.677 4.596) 4.905 8.494 ( -9.726 -1.554 -3.926) 10.603 8.950 ( -4.898 0.306 3.139) 5.826 9.012 ( -5.849 0.833 0.447) 5.925 9.058 ( -1.604 -1.247 2.921) 3.558 9.152 ( -2.215 1.458 3.168) 4.132 9.231 ( -0.389 -4.534 -3.596) 5.800 9.352 ( -2.262 -3.517 5.749) 7.108 9.949 ( -5.072 -1.080 17.051) 17.822 10.110 ( 3.079 0.120 -8.656) 9.188 10.178 ( 6.137 -1.877 -17.606) 18.739 10.347 ( -12.757 -13.852 14.619) 23.840 10.580 ( -7.721 -0.588 11.699) 14.030 10.707 ( 0.837 -0.403 -4.926) 5.013 10.901 ( -4.061 -3.156 6.417) 8.224 11.024 ( -10.332 -10.862 15.256) 21.389 11.453 ( 1.974 9.419 2.268) 9.887 11.604 ( -5.371 2.671 10.069) 11.720 12.056 ( -0.800 0.386 1.992) 2.181 12.218 ( 6.133 1.487 0.042) 6.310 12.303 ( -1.045 1.373 1.866) 2.541 12.421 ( 0.264 -1.317 0.339) 1.385 12.568 ( 6.208 -4.473 3.196) 8.292 12.644 ( 2.689 -0.120 -1.244) 2.965 12.853 ( 2.661 5.659 1.492) 6.429 12.947 ( 1.440 3.926 1.379) 4.404 13.036 ( 6.137 12.473 1.800) 14.017 13.794 ( 19.793 -4.597 5.864) 21.149 15.232 ( 10.675 0.439 -28.789) 30.708 15.415 ( 14.148 5.074 -31.717) 35.098 15.540 ( 8.891 -2.949 -25.660) 27.316 15.763 ( 6.318 -6.700 -11.307) 14.582 16.858 ( -11.963 -2.208 27.783) 30.330 17.024 ( -3.970 -3.726 22.260) 22.916 17.493 ( -2.509 2.126 6.821) 7.573 17.693 ( -4.068 -2.717 12.344) 13.278 19.139 ( -0.815 9.547 2.826) 9.990 19.223 ( -1.361 8.444 -0.355) 8.560 19.384 ( -2.130 1.421 3.254) 4.141 19.546 ( 2.844 -1.607 0.669) 3.335 19.635 ( 1.812 -1.009 -5.363) 5.750 19.911 ( -4.239 -5.474 14.411) 15.988 21.116 ( -28.483 9.117 -20.672) 36.356 21.999 ( 8.108 -12.365 -22.144) 26.627 ======================= Grid point 68 (32/108) ======================= q-point: ( 0.30 0.20 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -1.813 6.877 25.074) 26.063 2.069 ( 10.028 -5.517 6.693) 13.258 2.252 ( -1.783 -2.087 -0.476) 2.786 2.346 ( 3.443 3.973 8.737) 10.197 2.553 ( 4.414 -1.137 -2.787) 5.342 2.735 ( 3.777 -7.272 -0.816) 8.234 2.900 ( 16.395 -13.740 9.942) 23.589 3.062 ( -3.676 -7.166 9.740) 12.639 3.160 ( -6.235 -1.237 1.542) 6.541 3.410 ( 2.254 -0.400 1.748) 2.881 3.453 ( 7.974 2.899 -4.865) 9.780 3.573 ( 1.361 -0.812 12.372) 12.473 3.811 ( -10.230 17.280 -14.369) 24.692 3.901 ( 8.869 1.381 7.350) 11.601 4.022 ( 1.505 -4.571 -2.908) 5.623 4.148 ( 4.827 3.760 -12.865) 14.246 4.548 ( -0.345 2.010 4.103) 4.582 4.584 ( -2.290 -1.481 -2.373) 3.615 4.649 ( 0.907 -4.225 -2.112) 4.810 4.791 ( 8.086 0.475 6.961) 10.681 4.853 ( -5.507 -0.153 8.018) 9.728 4.983 ( -4.295 5.359 10.699) 12.713 5.209 ( 4.962 -3.505 2.007) 6.398 5.486 ( -4.177 7.352 16.793) 18.802 5.975 ( 2.783 -1.403 -7.505) 8.126 6.302 ( 5.182 3.068 -13.656) 14.925 6.370 ( -6.628 2.839 -8.282) 10.981 6.435 ( 2.490 5.778 -11.520) 13.126 6.512 ( 1.775 5.450 4.437) 7.248 6.609 ( 0.998 -0.215 0.611) 1.190 6.740 ( -2.420 -0.785 2.462) 3.540 6.896 ( -0.208 3.390 -5.933) 6.836 7.048 ( -3.469 0.077 -10.184) 10.759 7.099 ( -1.045 2.055 -4.417) 4.983 7.366 ( -6.937 -7.816 1.719) 10.591 7.469 ( 2.178 -1.120 -3.930) 4.631 7.581 ( -7.096 -0.711 13.546) 15.308 7.754 ( -9.241 2.277 -7.139) 11.898 7.801 ( 0.991 0.906 -9.961) 10.051 7.859 ( -6.249 -10.477 20.218) 23.613 8.227 ( -7.825 -1.507 -0.121) 7.970 8.392 ( -0.318 1.995 10.643) 10.833 8.836 ( -5.482 -1.205 -1.158) 5.731 8.973 ( -2.029 3.451 4.258) 5.844 9.023 ( -4.042 -1.439 1.616) 4.585 9.146 ( -1.251 0.057 4.815) 4.976 9.233 ( 2.938 -6.749 -6.245) 9.653 9.350 ( -1.334 -3.455 4.285) 5.664 9.974 ( -3.926 -0.902 15.093) 15.621 10.095 ( 0.906 -1.000 -7.158) 7.284 10.181 ( -0.646 -2.630 -1.661) 3.177 10.225 ( -4.609 -6.887 4.808) 9.580 10.537 ( -2.619 2.963 0.695) 4.015 10.688 ( -7.258 -1.221 10.706) 12.992 10.772 ( 1.315 -0.483 -9.300) 9.405 11.144 ( 2.253 -4.737 13.303) 14.300 11.356 ( -7.943 7.868 5.579) 12.495 11.715 ( 4.879 2.878 9.645) 11.186 12.056 ( 0.127 5.562 0.609) 5.597 12.198 ( -2.781 2.291 -4.652) 5.884 12.318 ( -1.191 4.831 2.291) 5.477 12.432 ( 0.962 5.467 0.729) 5.598 12.638 ( 1.669 -3.181 4.198) 5.526 12.836 ( 10.418 -4.239 1.120) 11.303 12.897 ( 3.311 -1.914 1.841) 4.245 12.999 ( 2.705 4.619 3.202) 6.238 13.193 ( 8.413 5.451 -0.927) 10.067 14.159 ( 15.475 -12.620 2.866) 20.173 15.239 ( 10.498 0.710 -28.218) 30.115 15.464 ( 12.963 3.876 -30.479) 33.347 15.535 ( 9.850 -1.456 -26.881) 28.666 15.732 ( 0.164 -6.229 -14.986) 16.230 16.837 ( -9.150 2.709 23.737) 25.583 17.095 ( -4.509 -3.917 22.768) 23.539 17.498 ( -2.730 1.664 8.546) 9.124 17.686 ( -4.568 -2.602 10.185) 11.462 19.131 ( -0.715 5.893 1.587) 6.144 19.191 ( -1.033 6.637 -0.607) 6.744 19.453 ( 2.188 0.424 6.304) 6.686 19.572 ( -0.164 -4.622 -1.412) 4.836 19.640 ( 2.906 -0.037 -1.888) 3.465 19.894 ( -6.855 -3.043 11.192) 13.473 20.461 ( -25.583 19.191 -15.834) 35.686 21.954 ( 1.920 -17.075 -15.609) 23.214 ======================= Grid point 69 (33/108) ======================= q-point: ( 0.40 0.20 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -0.199 1.743 13.612) 13.725 2.217 ( 3.360 -1.988 0.638) 3.955 2.269 ( -2.656 0.192 15.656) 15.881 2.459 ( 3.251 7.486 9.948) 12.868 2.594 ( 3.022 3.249 -1.334) 4.634 2.812 ( -1.014 0.813 -2.386) 2.717 2.948 ( -3.805 6.302 -4.012) 8.384 3.114 ( -1.898 -8.539 7.312) 11.401 3.153 ( 0.958 -4.451 0.060) 4.554 3.368 ( -7.601 1.781 1.134) 7.889 3.457 ( -2.854 8.904 -1.469) 9.465 3.619 ( 2.308 6.580 0.179) 6.976 3.699 ( 2.560 3.171 10.454) 11.220 4.055 ( 1.260 8.194 6.111) 10.299 4.123 ( 2.546 2.795 -9.567) 10.288 4.237 ( 16.042 -13.390 2.833) 21.087 4.444 ( -4.910 -1.254 -5.053) 7.156 4.608 ( 0.638 1.275 3.197) 3.501 4.654 ( -0.791 -3.578 -5.836) 6.891 4.741 ( -2.530 -0.896 2.696) 3.804 4.943 ( -1.329 -1.721 11.004) 11.216 5.108 ( 6.143 -0.569 9.887) 11.654 5.352 ( 5.693 -4.784 6.826) 10.094 5.480 ( -9.121 -3.034 12.521) 15.785 5.990 ( 5.757 2.118 -11.753) 13.258 6.216 ( -2.058 5.885 -8.170) 10.277 6.307 ( 0.886 2.453 -6.349) 6.864 6.378 ( 1.403 6.344 -6.887) 9.468 6.586 ( 2.348 4.988 -0.122) 5.514 6.633 ( 1.511 -1.451 -2.742) 3.451 6.722 ( -1.461 -2.394 3.312) 4.340 6.809 ( -3.608 0.514 -4.524) 5.810 6.913 ( -2.621 0.700 -8.755) 9.166 7.073 ( -2.106 -1.605 -1.390) 2.991 7.254 ( -0.748 -1.688 -4.748) 5.094 7.471 ( -0.147 -2.677 -4.514) 5.250 7.524 ( -4.832 0.880 8.411) 9.740 7.645 ( -1.295 -0.144 6.825) 6.948 7.786 ( 2.750 -1.245 -9.005) 9.497 7.845 ( -8.562 -4.165 18.375) 20.695 8.151 ( -2.831 -4.694 1.846) 5.784 8.392 ( -4.945 -6.932 4.591) 9.674 8.756 ( -2.175 -0.363 -1.240) 2.530 8.936 ( -5.547 -1.549 1.348) 5.915 8.966 ( -1.254 3.834 2.490) 4.741 9.160 ( -0.652 -1.834 3.714) 4.193 9.245 ( 2.955 -8.089 -6.543) 10.816 9.363 ( -0.192 -2.151 3.573) 4.175 10.000 ( 0.700 -0.258 0.088) 0.751 10.063 ( -2.982 0.816 6.113) 6.850 10.109 ( -9.797 -2.386 15.614) 18.587 10.242 ( 5.941 -3.797 -12.343) 14.215 10.484 ( -2.013 2.551 -2.222) 3.937 10.638 ( -1.780 1.889 3.444) 4.312 10.806 ( 0.994 4.529 2.574) 5.304 11.110 ( -7.178 10.318 9.738) 15.901 11.425 ( 3.222 -6.783 13.424) 15.381 11.829 ( 0.147 -3.780 7.746) 8.620 12.054 ( -0.556 10.387 -1.322) 10.486 12.166 ( 2.250 4.595 -1.305) 5.280 12.286 ( -1.894 11.677 1.499) 11.924 12.462 ( 1.330 5.670 1.443) 6.000 12.678 ( -1.794 2.509 5.104) 5.963 12.917 ( 1.214 -1.223 5.081) 5.365 13.028 ( 5.338 -4.601 -1.912) 7.302 13.084 ( 3.256 0.921 3.509) 4.875 13.332 ( 6.367 -1.845 -0.489) 6.647 14.392 ( 8.032 -23.285 -1.437) 24.673 15.237 ( 10.008 0.281 -29.239) 30.906 15.471 ( 9.106 -0.449 -28.029) 29.474 15.550 ( 10.755 0.918 -27.105) 29.175 15.602 ( 0.672 -2.541 -21.948) 22.105 16.830 ( -8.222 4.157 22.255) 24.087 17.160 ( -4.972 -2.545 21.500) 22.214 17.496 ( -4.293 1.198 10.162) 11.097 17.673 ( -3.152 -2.576 7.597) 8.619 19.151 ( 1.978 1.034 0.687) 2.335 19.183 ( 0.255 5.818 -0.169) 5.826 19.437 ( -5.328 -6.284 1.447) 8.365 19.513 ( -3.414 -3.719 -3.547) 6.170 19.767 ( 5.197 3.232 9.737) 11.501 19.814 ( -6.444 4.647 5.028) 9.403 20.046 ( -9.371 23.979 -6.281) 26.501 21.894 ( 2.169 -19.416 -11.718) 22.781 ======================= Grid point 70 (34/108) ======================= q-point: (-0.50 0.20 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -6.631 1.629 18.450) 19.673 2.268 ( -1.559 1.125 10.587) 10.761 2.284 ( -0.704 -4.027 5.245) 6.650 2.506 ( -7.941 12.882 3.471) 15.526 2.620 ( -0.561 3.674 -0.302) 3.729 2.712 ( 2.515 0.698 -4.137) 4.891 2.955 ( -5.135 1.809 -13.235) 14.311 3.018 ( 1.145 5.345 0.295) 5.474 3.162 ( -4.404 -0.745 7.383) 8.629 3.226 ( 3.370 1.731 2.994) 4.829 3.535 ( -2.674 -2.812 3.048) 4.934 3.707 ( 5.373 0.427 13.067) 14.135 3.808 ( 2.604 4.746 2.405) 5.924 4.047 ( -6.050 8.040 6.525) 11.992 4.146 ( 2.216 -1.528 -0.432) 2.726 4.305 ( -3.621 -3.853 -6.666) 8.508 4.495 ( 8.054 0.491 1.250) 8.165 4.556 ( -0.938 -1.043 -6.587) 6.735 4.630 ( 0.069 1.411 1.455) 2.027 4.761 ( -0.052 -0.247 -0.359) 0.439 4.981 ( -4.608 0.250 10.168) 11.166 5.151 ( -6.528 -12.843 9.489) 17.251 5.371 ( -5.269 -0.395 7.751) 9.381 5.527 ( 2.176 -5.950 12.771) 14.256 5.981 ( 2.666 4.433 -15.357) 16.205 6.189 ( 2.314 9.385 -1.647) 9.805 6.277 ( 2.465 -0.364 -7.486) 7.890 6.395 ( 3.167 4.971 -5.159) 7.833 6.582 ( -0.374 3.675 -9.765) 10.440 6.644 ( 3.990 -0.092 -3.145) 5.082 6.698 ( -1.994 -3.309 0.848) 3.955 6.748 ( -1.761 -1.617 2.056) 3.153 6.899 ( 4.876 -1.314 -2.329) 5.561 7.013 ( -0.892 -4.444 -4.521) 6.402 7.269 ( 4.774 1.999 -6.738) 8.496 7.455 ( 1.899 -1.461 -3.117) 3.931 7.524 ( -2.712 0.314 9.417) 9.805 7.700 ( -1.576 -0.468 13.957) 14.054 7.780 ( 2.218 -3.344 -6.920) 8.000 7.849 ( -2.293 -3.033 15.042) 15.515 8.033 ( -7.615 -6.621 -3.107) 10.558 8.341 ( -2.608 -1.707 0.030) 3.117 8.742 ( 1.302 -0.586 -0.329) 1.465 8.854 ( -3.230 -0.622 -0.250) 3.299 8.965 ( -0.743 3.806 2.718) 4.736 9.167 ( -1.233 -0.578 3.153) 3.434 9.255 ( 2.740 -9.004 -6.149) 11.242 9.382 ( -0.591 -2.081 3.641) 4.235 9.988 ( 4.445 2.363 -17.612) 18.317 10.029 ( -6.260 0.730 10.858) 12.555 10.102 ( -6.671 -1.647 27.172) 28.028 10.244 ( 3.295 -3.861 -12.868) 13.833 10.441 ( -1.426 2.305 -0.633) 2.783 10.654 ( 3.123 -2.966 -7.688) 8.812 10.771 ( -6.249 5.892 12.654) 15.293 11.200 ( 4.892 11.318 17.264) 21.215 11.494 ( -6.321 -9.251 11.367) 15.961 11.869 ( -0.306 -6.208 8.532) 10.556 12.030 ( -0.761 9.934 -1.886) 10.140 12.215 ( 2.361 5.933 -0.568) 6.411 12.286 ( -0.084 14.312 3.109) 14.646 12.499 ( 0.646 8.949 3.276) 9.551 12.664 ( -2.120 1.440 4.914) 5.542 12.964 ( -1.036 -0.370 7.606) 7.685 13.047 ( -0.151 -2.796 -5.842) 6.478 13.164 ( 0.645 -4.004 6.873) 7.980 13.381 ( -0.877 -0.950 -1.029) 1.652 14.414 ( -3.040 -25.596 -6.317) 26.539 15.221 ( 10.029 -0.093 -30.655) 32.254 15.433 ( 6.482 -3.190 -25.507) 26.511 15.501 ( 7.244 1.754 -29.369) 30.300 15.557 ( 9.719 0.734 -27.429) 29.109 16.835 ( -7.347 4.299 22.652) 24.199 17.178 ( -8.411 -1.763 19.984) 21.753 17.487 ( -3.637 1.261 10.257) 10.956 17.659 ( -3.682 -2.523 6.515) 7.897 19.185 ( 0.317 3.732 -0.116) 3.747 19.196 ( 0.806 0.795 0.429) 1.211 19.339 ( -3.975 -6.562 -0.070) 7.672 19.490 ( 3.555 -1.569 -1.075) 4.031 19.706 ( -6.365 8.037 2.268) 10.500 19.931 ( 2.451 1.317 11.937) 12.257 20.000 ( 6.375 22.873 0.713) 23.756 21.888 ( 5.146 -19.749 -10.001) 22.727 ======================= Grid point 71 (35/108) ======================= q-point: (-0.40 0.20 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -17.314 2.108 23.000) 28.866 2.235 ( -12.204 1.344 8.110) 14.715 2.346 ( 1.844 -2.631 4.855) 5.822 2.456 ( 1.669 2.425 6.153) 6.821 2.597 ( -1.409 -0.022 -1.532) 2.081 2.715 ( -0.366 -5.305 -5.271) 7.488 2.728 ( -6.878 -5.199 -9.569) 12.880 2.935 ( -6.390 1.070 0.069) 6.479 3.206 ( -5.309 -9.159 7.882) 13.198 3.312 ( -3.794 -5.511 -2.432) 7.119 3.486 ( 4.882 7.396 -1.607) 9.006 3.777 ( -5.647 1.616 0.543) 5.898 3.850 ( 2.446 12.744 -1.204) 13.032 3.998 ( -9.964 -4.821 -0.053) 11.069 4.098 ( 2.683 -1.028 9.552) 9.975 4.282 ( 3.746 -0.365 1.825) 4.183 4.586 ( 0.453 5.908 2.585) 6.464 4.635 ( 5.495 4.188 7.617) 10.283 4.681 ( 5.065 2.394 1.011) 5.693 4.745 ( 1.876 1.307 0.103) 2.289 4.912 ( -11.761 -2.557 5.847) 13.381 5.071 ( -4.635 2.626 10.582) 11.847 5.303 ( -8.850 -2.221 7.254) 11.657 5.542 ( -8.304 -2.669 10.675) 13.785 5.965 ( 4.527 0.371 -8.846) 9.944 6.254 ( 3.771 5.785 -3.664) 7.818 6.329 ( 9.868 -0.361 -6.087) 11.600 6.386 ( 0.128 4.875 -5.723) 7.520 6.493 ( 1.476 3.282 -14.891) 15.320 6.666 ( -1.223 -4.781 -1.771) 5.243 6.696 ( 0.572 -1.729 -3.039) 3.543 6.778 ( 4.236 -0.217 1.902) 4.648 6.968 ( 1.511 -2.736 -4.401) 5.398 7.036 ( 8.030 -0.894 -2.977) 8.611 7.323 ( 5.522 1.668 -6.028) 8.344 7.481 ( 2.913 -4.764 -3.007) 6.342 7.542 ( -0.282 -0.555 3.828) 3.879 7.697 ( -8.410 -2.400 14.044) 16.545 7.794 ( 3.305 -2.141 -0.354) 3.954 7.954 ( -0.394 4.163 3.541) 5.479 7.999 ( 8.151 -4.795 10.173) 13.889 8.250 ( -5.013 7.033 -4.525) 9.751 8.792 ( 3.210 -1.733 0.007) 3.648 8.818 ( 0.082 0.596 -0.096) 0.609 8.978 ( 0.539 2.614 1.896) 3.274 9.149 ( -2.842 2.346 3.040) 4.777 9.264 ( 2.383 -9.342 -5.619) 11.159 9.388 ( -1.704 -2.370 4.558) 5.412 9.948 ( 0.775 0.149 -6.052) 6.104 10.015 ( -0.056 2.523 0.933) 2.690 10.157 ( -0.896 -4.996 1.766) 5.374 10.221 ( -2.510 -2.274 12.706) 13.149 10.426 ( -0.262 2.228 1.022) 2.465 10.610 ( 1.650 -1.760 -11.961) 12.202 10.854 ( 1.459 -6.151 19.001) 20.026 11.366 ( -12.649 -12.055 13.318) 21.970 11.434 ( 5.279 10.621 14.825) 18.986 11.890 ( -5.904 2.102 9.212) 11.142 11.999 ( -0.654 4.974 -2.345) 5.538 12.242 ( 1.671 6.661 -2.320) 7.249 12.322 ( 1.052 10.747 5.336) 12.045 12.535 ( 0.590 6.502 4.987) 8.215 12.672 ( -2.031 -2.736 6.353) 7.209 12.931 ( -7.576 -4.756 -5.732) 10.624 12.981 ( -3.383 2.058 7.551) 8.526 13.171 ( -3.360 -0.262 2.700) 4.319 13.331 ( -4.329 0.323 4.694) 6.394 14.216 ( -11.568 -16.455 -9.026) 22.047 15.200 ( 10.166 0.282 -31.133) 32.752 15.393 ( 8.850 -2.475 -28.526) 29.970 15.439 ( 7.979 3.335 -32.856) 33.975 15.556 ( 10.062 -0.669 -27.174) 28.985 16.855 ( -7.602 3.933 23.738) 25.234 17.126 ( -11.069 -2.789 20.205) 23.207 17.506 ( -1.654 0.926 9.821) 10.002 17.622 ( -4.919 -1.669 6.552) 8.362 19.155 ( -3.528 0.455 0.736) 3.633 19.199 ( 0.434 6.087 0.656) 6.137 19.322 ( 1.601 -3.788 -2.718) 4.929 19.541 ( -0.173 1.680 -0.727) 1.839 19.632 ( -1.330 0.449 0.310) 1.438 20.025 ( -1.796 -2.756 13.986) 14.367 20.317 ( 25.365 20.981 4.869) 33.276 21.943 ( 7.912 -17.991 -11.497) 22.769 ======================= Grid point 72 (36/108) ======================= q-point: (-0.30 0.20 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -23.091 6.674 26.234) 35.580 1.945 ( -24.154 -1.632 4.608) 24.644 2.315 ( -9.729 -2.595 -3.698) 10.726 2.420 ( -8.095 3.840 -0.248) 8.963 2.500 ( -12.522 -8.354 -2.143) 15.205 2.605 ( 1.480 0.207 5.013) 5.231 2.787 ( 6.492 -15.653 -0.720) 16.961 2.835 ( 0.762 -7.454 -0.926) 7.549 3.011 ( -5.263 -4.360 -11.227) 13.144 3.294 ( -3.368 -11.986 10.257) 16.131 3.467 ( -8.358 -2.770 5.232) 10.242 3.617 ( -13.671 10.429 -9.329) 19.562 3.859 ( -0.806 16.276 5.837) 17.309 3.905 ( 1.779 -2.799 7.422) 8.129 4.267 ( 7.504 7.549 3.555) 11.222 4.340 ( 1.318 4.443 -0.781) 4.700 4.577 ( -7.653 1.168 -0.580) 7.763 4.677 ( -3.803 -2.183 1.503) 4.636 4.782 ( 2.464 -0.864 9.874) 10.213 4.806 ( 0.556 1.879 -0.287) 1.980 4.836 ( 9.673 -2.294 3.730) 10.618 5.125 ( -13.057 -7.162 8.061) 16.934 5.175 ( 1.405 6.519 16.126) 17.451 5.422 ( -11.279 -2.766 10.105) 15.395 6.029 ( 6.427 3.254 -0.987) 7.271 6.290 ( 3.399 8.112 -7.482) 11.547 6.361 ( 2.361 3.891 -6.620) 8.034 6.404 ( 5.996 1.652 -14.536) 15.811 6.539 ( 8.073 1.885 -4.879) 9.619 6.628 ( 2.162 -5.014 -8.147) 9.807 6.669 ( 0.084 -2.126 -1.914) 2.862 6.849 ( 1.542 4.636 -0.790) 4.949 6.980 ( 3.015 -0.445 -3.449) 4.603 7.112 ( 0.625 -11.221 -3.124) 11.664 7.394 ( 6.267 0.930 -6.766) 9.269 7.543 ( 9.343 1.947 -11.198) 14.713 7.575 ( 0.606 -0.032 6.369) 6.398 7.702 ( -2.244 3.600 16.484) 17.021 7.834 ( 0.970 -0.346 -0.302) 1.074 7.966 ( -4.520 10.009 2.752) 11.322 8.129 ( 1.420 9.597 4.560) 10.720 8.295 ( 12.472 -9.709 0.227) 15.807 8.802 ( 0.673 0.813 -1.636) 1.947 8.903 ( 5.587 -2.183 1.943) 6.305 9.017 ( 2.695 1.204 1.284) 3.219 9.118 ( -2.257 3.708 3.777) 5.754 9.267 ( 1.812 -7.137 -4.113) 8.434 9.383 ( -2.619 -2.053 5.933) 6.803 9.941 ( -0.771 -1.015 3.274) 3.514 10.025 ( 2.576 2.603 -6.372) 7.350 10.110 ( 2.703 -2.086 -12.639) 13.092 10.307 ( -0.640 -6.927 11.182) 13.169 10.469 ( 1.303 -1.765 13.666) 13.841 10.599 ( 2.859 -4.099 -1.112) 5.120 11.002 ( -2.245 -11.276 16.634) 20.221 11.214 ( -9.760 -13.503 16.395) 23.375 11.623 ( 2.881 9.722 12.200) 15.864 11.771 ( -11.105 9.098 8.941) 16.913 11.982 ( -0.130 -1.619 -1.181) 2.009 12.239 ( -0.267 5.111 -3.870) 6.416 12.363 ( -2.806 3.922 4.651) 6.700 12.580 ( -0.852 2.557 6.900) 7.408 12.638 ( -3.505 -3.540 0.517) 5.008 12.752 ( -7.267 -0.513 2.648) 7.751 12.937 ( -7.214 2.683 6.133) 9.842 13.090 ( -4.594 11.460 -1.007) 12.388 13.299 ( -5.392 -3.946 12.446) 14.126 13.883 ( -16.831 -6.920 -9.488) 20.523 15.189 ( 11.153 1.101 -30.544) 32.535 15.358 ( 8.416 3.977 -35.106) 36.319 15.370 ( 10.181 -1.872 -31.697) 33.344 15.564 ( 10.124 -1.646 -26.301) 28.230 16.871 ( -8.717 0.493 26.705) 28.097 17.054 ( -11.221 -3.253 20.394) 23.504 17.543 ( -1.609 0.092 6.317) 6.519 17.577 ( -4.514 -0.586 9.946) 10.938 19.114 ( -1.041 2.870 1.053) 3.230 19.220 ( 1.376 7.659 0.566) 7.802 19.321 ( 0.296 -2.144 -2.378) 3.215 19.514 ( -0.720 5.614 -0.583) 5.690 19.617 ( -1.246 -2.406 -1.144) 2.941 20.057 ( -4.992 -5.366 14.591) 16.328 20.936 ( 34.561 11.462 4.151) 36.648 22.001 ( 8.162 -14.056 -18.439) 24.580 ======================= Grid point 73 (37/108) ======================= q-point: (-0.20 0.20 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -32.768 -5.265 4.221) 33.456 1.577 ( -25.281 17.243 29.775) 42.697 2.041 ( -14.809 2.463 -1.017) 15.047 2.143 ( -12.822 2.700 -4.974) 14.015 2.331 ( -10.674 5.480 2.600) 12.277 2.638 ( -2.452 -1.630 2.911) 4.140 2.758 ( -15.816 13.414 -2.225) 20.857 2.846 ( 4.827 0.574 -4.553) 6.660 3.032 ( 4.442 -27.926 7.796) 29.332 3.205 ( -13.023 7.195 -3.449) 15.273 3.316 ( -0.559 -12.803 5.566) 13.972 3.396 ( -1.598 3.078 1.602) 3.820 3.912 ( -1.554 7.804 9.016) 12.026 4.059 ( 7.205 -12.157 6.251) 15.452 4.296 ( -1.658 7.687 -0.494) 7.879 4.378 ( -5.859 -4.147 -0.765) 7.219 4.498 ( 6.128 7.794 -1.264) 9.995 4.629 ( -4.660 1.185 -0.717) 4.862 4.716 ( -6.693 0.874 2.104) 7.070 4.793 ( -2.980 -3.816 2.873) 5.630 5.007 ( -3.347 -4.224 6.822) 8.694 5.134 ( 10.308 -5.362 10.128) 15.414 5.254 ( -5.756 -4.368 15.143) 16.778 5.318 ( -2.872 -5.080 7.041) 9.145 6.133 ( 2.956 7.388 -0.219) 7.961 6.277 ( 0.383 4.317 -5.507) 7.008 6.324 ( 2.004 4.249 -14.334) 15.084 6.510 ( 10.080 5.074 -6.843) 13.198 6.546 ( 2.552 -1.544 -11.707) 12.081 6.663 ( 5.077 -1.705 -8.661) 10.183 6.730 ( 3.910 0.433 1.421) 4.183 6.867 ( 4.474 7.446 -2.786) 9.123 7.018 ( 3.030 -0.942 -3.517) 4.736 7.063 ( -3.297 -5.968 0.521) 6.838 7.436 ( 3.088 2.449 -4.867) 6.263 7.614 ( 6.975 -1.502 -11.896) 13.871 7.694 ( 6.546 0.924 1.202) 6.720 7.776 ( -1.545 2.007 12.413) 12.669 7.846 ( -0.686 5.809 1.920) 6.157 7.890 ( -4.989 5.670 13.941) 15.856 8.244 ( 5.565 7.417 1.468) 9.388 8.424 ( 5.131 -6.138 -19.368) 20.955 8.812 ( 1.299 1.376 -0.745) 2.034 8.990 ( 1.350 -2.785 0.501) 3.136 9.097 ( 2.684 1.545 4.742) 5.663 9.183 ( 9.338 2.793 2.514) 10.066 9.295 ( 1.980 -4.878 1.178) 5.394 9.380 ( -0.763 -0.076 5.183) 5.239 9.948 ( -1.242 0.061 3.843) 4.039 10.025 ( 1.612 2.774 -1.365) 3.487 10.125 ( 7.065 -2.085 -12.247) 14.291 10.319 ( 2.111 -1.940 -7.673) 8.191 10.580 ( 6.965 -1.146 -7.827) 10.540 10.834 ( 4.985 -20.395 47.184) 51.644 10.911 ( -12.742 -10.137 14.237) 21.629 11.325 ( 3.307 -13.727 23.451) 27.374 11.530 ( -15.545 12.687 10.043) 22.437 11.792 ( 2.146 5.158 7.404) 9.275 11.979 ( 0.529 -3.904 -0.063) 3.940 12.132 ( -9.823 -2.444 -3.299) 10.647 12.272 ( -5.600 5.638 0.262) 7.951 12.523 ( -9.648 2.658 -1.620) 10.138 12.600 ( -1.832 1.770 0.711) 2.644 12.721 ( -3.129 -2.879 12.028) 12.757 12.823 ( -3.796 9.702 6.210) 12.129 13.047 ( -2.361 6.656 6.951) 9.910 13.282 ( -6.113 -4.499 13.447) 15.441 13.478 ( -19.106 -3.019 -8.231) 21.022 15.211 ( 12.660 1.382 -29.023) 31.694 15.297 ( 10.755 2.715 -34.596) 36.331 15.346 ( 10.530 -0.260 -31.467) 33.183 15.581 ( 10.049 -3.000 -24.108) 26.290 16.897 ( -9.756 -5.558 32.116) 34.023 16.969 ( -12.592 -3.750 18.791) 22.929 17.510 ( -4.331 0.814 6.281) 7.672 17.608 ( -1.440 -1.416 9.984) 10.186 19.133 ( 1.499 1.318 2.760) 3.406 19.271 ( 4.127 10.081 1.508) 10.997 19.305 ( -0.028 -3.127 -3.345) 4.579 19.508 ( -1.599 3.241 1.142) 3.790 19.579 ( -0.260 4.121 -0.058) 4.130 20.038 ( -7.139 -4.458 13.059) 15.536 21.576 ( 30.518 4.084 -1.138) 30.811 21.946 ( 3.470 -4.668 -35.292) 35.768 ======================= Grid point 74 (38/108) ======================= q-point: (-0.10 0.20 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -10.990 22.846 18.285) 31.258 1.304 ( -23.512 22.444 20.210) 38.276 1.785 ( -17.559 19.430 16.529) 30.969 1.957 ( -4.187 6.349 -1.515) 7.755 2.058 ( -15.874 14.760 0.439) 21.680 2.398 ( -13.828 12.088 6.091) 19.350 2.601 ( -3.378 -3.858 -0.820) 5.193 2.958 ( 8.921 0.908 -7.592) 11.749 3.031 ( -4.997 -20.180 6.851) 21.890 3.150 ( 1.118 -4.472 10.194) 11.188 3.357 ( -2.064 -0.670 2.742) 3.497 3.491 ( 10.899 -5.555 -1.572) 12.334 3.834 ( -12.700 0.507 5.395) 13.807 4.131 ( -5.615 -7.431 3.324) 9.890 4.255 ( -3.097 -8.492 -3.075) 9.548 4.283 ( 0.729 11.210 -0.411) 11.242 4.535 ( -2.170 2.463 -6.951) 7.688 4.555 ( -1.281 3.373 4.752) 5.966 4.676 ( 3.630 2.209 0.348) 4.263 4.811 ( 0.760 -9.121 4.165) 10.056 5.008 ( -3.050 -8.131 10.972) 13.993 5.214 ( -5.284 -14.293 8.304) 17.355 5.340 ( -2.079 -7.981 6.616) 10.573 5.366 ( 5.355 -1.410 9.131) 10.679 6.142 ( 1.135 7.154 -2.022) 7.520 6.238 ( -1.474 5.835 -3.569) 6.997 6.273 ( 4.053 4.090 -17.246) 18.182 6.495 ( 1.017 -1.251 -10.194) 10.321 6.623 ( 7.982 3.417 -12.256) 15.020 6.703 ( 4.221 0.540 -5.593) 7.028 6.798 ( 1.971 1.646 5.947) 6.478 6.953 ( 3.322 4.912 -4.331) 7.343 7.010 ( -3.047 1.799 3.943) 5.298 7.031 ( 1.992 -4.636 -5.630) 7.561 7.519 ( 8.077 7.966 -0.881) 11.379 7.660 ( 2.490 -1.453 -3.414) 4.469 7.684 ( -1.959 -0.714 -2.176) 3.014 7.813 ( -5.959 5.611 5.693) 9.970 7.922 ( 4.472 4.697 8.025) 10.318 7.979 ( 7.711 -0.143 5.095) 9.244 8.221 ( -3.662 8.512 -22.764) 24.577 8.324 ( -0.902 1.447 -0.990) 1.972 8.840 ( 1.759 1.803 0.799) 2.643 8.997 ( -0.499 -3.037 1.586) 3.463 9.159 ( 0.880 2.274 3.887) 4.589 9.292 ( -0.959 -2.021 3.624) 4.258 9.411 ( 4.858 -1.994 -1.036) 5.353 9.460 ( 7.592 -0.329 0.832) 7.645 9.961 ( 3.886 0.374 -7.325) 8.300 10.095 ( 0.466 5.206 13.639) 14.607 10.179 ( 6.875 -3.271 -12.031) 14.238 10.322 ( 4.985 1.269 -8.174) 9.658 10.661 ( 4.431 -2.072 -5.288) 7.204 10.791 ( -5.946 0.520 13.824) 15.058 11.185 ( -5.959 -7.964 19.107) 21.541 11.335 ( -7.469 1.234 14.662) 16.501 11.628 ( 1.022 -20.355 28.284) 34.862 11.810 ( -3.272 2.772 10.481) 11.325 11.880 ( -8.356 -1.972 3.453) 9.254 12.045 ( 5.465 -4.970 1.834) 7.611 12.170 ( -3.838 5.238 -1.492) 6.663 12.367 ( -2.514 1.378 -1.105) 3.073 12.542 ( -7.262 -0.443 5.415) 9.070 12.706 ( -1.484 1.048 5.338) 5.639 12.900 ( -3.655 -7.368 10.196) 13.100 13.064 ( -3.513 -3.087 8.206) 9.445 13.105 ( -11.347 -3.077 -1.701) 11.879 13.279 ( -6.699 -11.163 21.094) 24.788 15.252 ( 11.992 0.279 -29.678) 32.011 15.300 ( 12.874 -0.906 -28.724) 31.490 15.373 ( 13.808 1.973 -28.239) 31.496 15.642 ( 11.762 -11.053 -14.880) 21.953 16.806 ( -17.759 -2.039 19.533) 26.478 16.939 ( -11.887 -13.860 37.826) 42.002 17.487 ( -3.170 1.185 7.910) 8.604 17.639 ( -2.062 -2.198 8.850) 9.349 19.176 ( -0.016 -0.922 0.551) 1.074 19.293 ( 1.933 -5.855 0.566) 6.192 19.422 ( 4.698 4.991 2.563) 7.318 19.462 ( 2.659 4.145 2.505) 5.525 19.646 ( 3.853 8.092 4.887) 10.208 19.959 ( -9.539 -1.265 9.447) 13.485 21.596 ( -3.134 29.663 -61.942) 68.750 22.000 ( 16.760 0.715 -8.837) 18.961 ======================= Grid point 75 (39/108) ======================= q-point: ( 0.00 0.40 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -7.125 21.567 2.416) 22.842 1.707 ( 3.443 16.286 9.659) 19.245 1.867 ( 0.242 4.265 9.132) 10.082 2.203 ( -4.674 9.495 3.443) 11.129 2.275 ( -1.670 14.381 -0.644) 14.492 2.411 ( -3.771 -6.835 2.824) 8.302 2.463 ( -6.657 -14.688 7.268) 17.689 2.767 ( -1.697 -1.252 11.912) 12.097 3.058 ( 4.209 14.330 8.824) 17.347 3.231 ( 1.369 1.955 5.863) 6.331 3.296 ( 1.146 -3.160 3.116) 4.584 3.520 ( 4.317 -11.118 0.234) 11.929 3.736 ( -6.194 6.305 -7.476) 11.577 3.912 ( -0.568 3.751 0.540) 3.832 3.969 ( 0.179 -12.299 -3.523) 12.795 4.230 ( 3.013 -21.340 6.802) 22.600 4.503 ( -2.869 5.762 -4.276) 7.728 4.614 ( -5.366 0.071 2.809) 6.057 4.645 ( -3.776 3.484 6.148) 8.012 4.750 ( 0.414 -3.442 1.741) 3.880 4.826 ( -5.171 -3.427 4.679) 7.770 4.898 ( -6.407 -7.776 7.238) 12.406 5.289 ( -2.235 5.419 2.787) 6.490 5.410 ( -1.609 -4.886 6.127) 8.000 6.265 ( 0.723 2.758 2.796) 3.994 6.272 ( 1.994 2.573 -3.118) 4.507 6.390 ( 7.397 4.598 -16.762) 18.890 6.461 ( 4.439 -1.782 -12.690) 13.561 6.714 ( 3.961 3.872 -8.598) 10.228 6.821 ( 3.859 -5.599 -5.262) 8.598 6.882 ( 1.877 7.480 4.641) 9.001 6.945 ( 2.359 0.303 2.464) 3.425 7.035 ( -0.513 1.589 -0.535) 1.753 7.078 ( 4.986 -0.968 -6.189) 8.006 7.542 ( 1.445 2.953 -12.485) 12.911 7.613 ( -3.547 -1.666 8.645) 9.492 7.700 ( -2.440 -0.591 0.683) 2.601 7.752 ( -6.817 -4.422 13.617) 15.858 8.032 ( 1.301 -1.197 8.865) 9.039 8.078 ( 0.919 -5.203 8.760) 10.230 8.336 ( -1.185 12.211 -15.322) 19.628 8.450 ( 10.193 1.872 -21.620) 23.976 8.917 ( 2.023 1.200 1.573) 2.830 8.956 ( 1.879 -2.433 1.154) 3.284 9.224 ( -4.382 3.468 7.151) 9.076 9.278 ( -0.906 -1.629 5.730) 6.025 9.383 ( -0.749 -0.019 -4.768) 4.826 9.443 ( -2.148 -3.867 -5.353) 6.944 10.009 ( 3.636 3.719 -11.960) 13.042 10.103 ( 5.723 -5.209 -14.441) 16.384 10.264 ( -7.607 7.668 7.576) 13.193 10.394 ( -0.805 -3.477 -0.355) 3.586 10.644 ( -4.096 4.851 5.739) 8.558 10.863 ( -16.588 -16.139 24.172) 33.465 11.087 ( -7.309 11.755 17.726) 22.490 11.310 ( -11.908 3.406 11.085) 16.621 11.395 ( -10.042 -8.915 20.659) 24.640 11.559 ( -5.428 -10.076 4.247) 12.207 11.900 ( 4.741 6.714 4.455) 9.349 12.039 ( 2.275 -5.795 1.869) 6.500 12.270 ( 5.404 3.943 -1.272) 6.810 12.347 ( 3.739 -1.408 1.038) 4.128 12.454 ( -1.853 1.130 1.093) 2.429 12.503 ( -6.183 -2.053 6.006) 8.861 12.908 ( 3.951 1.960 2.246) 4.949 12.974 ( 0.693 -4.298 5.015) 6.642 13.026 ( -0.738 1.953 5.376) 5.767 13.078 ( -3.599 -2.478 5.510) 7.032 15.271 ( 10.682 1.521 -28.719) 30.679 15.320 ( 12.056 -3.415 -25.303) 28.236 15.447 ( 11.701 3.329 -28.460) 30.951 15.530 ( 11.746 -5.082 -23.022) 26.340 16.765 ( -8.137 1.711 27.196) 28.438 16.813 ( -10.321 -3.073 29.316) 31.231 17.530 ( -2.345 2.608 8.218) 8.935 17.594 ( -2.277 -3.350 8.450) 9.371 19.170 ( 0.792 2.715 2.321) 3.659 19.253 ( 3.364 -5.396 4.798) 7.965 19.454 ( -0.188 2.440 1.349) 2.795 19.505 ( -1.459 -2.185 0.909) 2.780 19.832 ( -3.582 2.700 5.895) 7.408 19.853 ( -5.476 0.642 4.804) 7.312 21.954 ( 9.375 9.926 -31.720) 34.534 22.050 ( 1.221 -1.430 -20.612) 20.698 ======================= Grid point 76 (40/108) ======================= q-point: ( 0.10 0.40 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -1.570 26.720 7.469) 27.789 1.864 ( 5.950 0.283 7.670) 9.711 2.016 ( 4.888 8.980 17.658) 20.404 2.178 ( -0.302 14.028 5.782) 15.176 2.249 ( 0.142 0.527 -0.573) 0.791 2.407 ( 1.588 -4.754 -0.395) 5.028 2.442 ( -0.260 -18.877 3.005) 19.116 2.701 ( -8.209 -24.326 11.085) 27.964 3.249 ( 1.341 3.507 8.497) 9.289 3.282 ( -0.276 3.162 7.171) 7.842 3.403 ( 7.153 10.210 7.958) 14.790 3.536 ( -0.054 5.897 -10.358) 11.919 3.613 ( -0.465 3.091 2.074) 3.751 3.875 ( -0.680 -10.551 -11.290) 15.468 4.052 ( 6.924 11.158 7.313) 15.031 4.360 ( 5.833 -10.303 2.754) 12.156 4.472 ( 2.314 2.523 -5.412) 6.404 4.553 ( 0.701 -7.607 -6.026) 9.730 4.616 ( -2.731 2.539 5.533) 6.672 4.705 ( -4.408 -4.874 0.017) 6.572 4.801 ( -1.703 -2.757 3.668) 4.894 4.856 ( -2.961 -5.957 9.250) 11.393 5.257 ( -3.335 6.680 5.955) 9.550 5.395 ( -3.974 -5.873 9.182) 11.601 6.298 ( 3.064 6.652 -2.771) 7.830 6.331 ( 3.656 2.781 -0.536) 4.624 6.428 ( 7.302 1.866 -15.103) 16.879 6.452 ( 1.637 -0.644 -6.788) 7.012 6.711 ( 2.032 5.257 -10.694) 12.088 6.818 ( 0.214 -4.101 -8.853) 9.759 6.885 ( -3.455 8.095 6.279) 10.812 7.003 ( 1.562 3.362 -3.983) 5.441 7.027 ( 0.351 -4.657 4.505) 6.489 7.109 ( 1.176 -3.909 -1.447) 4.331 7.524 ( 1.285 6.416 -5.376) 8.468 7.547 ( -6.239 5.851 0.933) 8.604 7.675 ( -1.957 -5.841 -0.708) 6.201 7.692 ( -6.619 -9.042 11.134) 15.797 8.104 ( -7.445 13.056 -9.052) 17.545 8.130 ( 4.296 5.516 8.389) 10.920 8.236 ( 0.465 0.144 -1.521) 1.597 8.460 ( 2.790 -11.903 -8.310) 14.783 8.968 ( 1.258 0.845 3.736) 4.031 9.000 ( 1.204 -2.155 2.359) 3.415 9.177 ( -5.765 4.153 5.660) 9.084 9.261 ( -6.491 -2.600 3.014) 7.615 9.273 ( -8.229 0.123 -6.824) 10.691 9.299 ( -3.567 -3.270 -1.041) 4.950 9.966 ( -4.137 3.992 3.432) 6.695 10.091 ( 1.085 -6.618 -9.477) 11.610 10.161 ( -3.271 3.218 1.008) 4.698 10.270 ( -13.513 -8.112 12.962) 20.406 10.634 ( 0.256 3.476 1.733) 3.893 10.746 ( -3.919 -7.541 9.447) 12.708 10.877 ( -15.521 7.615 7.699) 18.925 11.064 ( -19.455 -10.242 8.737) 23.659 11.455 ( 5.905 9.266 9.371) 14.441 11.632 ( 2.368 -7.154 6.711) 10.091 12.034 ( 3.531 2.349 4.413) 6.121 12.075 ( 0.555 -1.689 4.407) 4.752 12.324 ( -0.694 4.610 -1.497) 4.896 12.418 ( -2.761 -2.768 -2.500) 4.640 12.469 ( 1.365 0.283 2.502) 2.864 12.508 ( 7.729 -1.491 1.931) 8.105 12.956 ( 0.058 2.746 -0.405) 2.777 12.989 ( -2.067 -0.319 2.110) 2.971 13.150 ( 9.404 7.945 7.826) 14.588 13.290 ( 17.593 -5.630 8.136) 20.184 15.277 ( 10.441 3.644 -27.425) 29.570 15.380 ( 11.871 -5.998 -23.926) 27.374 15.486 ( 12.407 4.833 -27.525) 30.576 15.594 ( 10.941 -5.242 -22.160) 25.263 16.809 ( -8.400 -0.447 28.257) 29.482 16.850 ( -5.247 -3.408 25.872) 26.618 17.543 ( -2.310 2.984 8.118) 8.952 17.612 ( -2.380 -3.505 9.458) 10.363 19.242 ( 3.840 6.394 5.849) 9.478 19.363 ( 3.558 -4.955 5.528) 8.232 19.443 ( -2.639 3.922 -0.552) 4.760 19.489 ( 0.399 -0.731 0.749) 1.120 19.720 ( -7.633 4.374 1.353) 8.901 19.809 ( -5.317 -3.784 6.218) 9.014 21.793 ( -11.589 4.053 -22.250) 25.412 21.866 ( 1.925 -2.625 -26.208) 26.409 ======================= Grid point 77 (41/108) ======================= q-point: ( 0.20 0.40 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 13.716 8.747 11.460) 19.899 1.992 ( 2.116 -11.871 6.277) 13.594 2.191 ( 1.326 8.889 10.396) 13.742 2.269 ( 6.215 -0.895 -2.186) 6.649 2.288 ( 4.375 1.715 12.188) 13.063 2.487 ( 5.790 -2.979 0.876) 6.570 2.507 ( 6.686 -1.557 5.080) 8.540 2.719 ( -3.088 -19.047 20.387) 28.071 3.248 ( -5.506 2.980 13.725) 15.085 3.334 ( -2.202 -4.460 11.116) 12.179 3.466 ( 4.207 6.049 -14.367) 16.146 3.527 ( 2.689 4.533 0.086) 5.271 3.691 ( 3.796 0.114 4.360) 5.781 3.792 ( 1.949 -10.078 -9.648) 14.088 4.265 ( 8.801 13.901 -1.950) 16.568 4.422 ( -0.314 3.125 -6.693) 7.393 4.472 ( 1.631 2.716 -1.394) 3.461 4.550 ( 4.355 -1.446 -6.521) 7.973 4.636 ( 1.064 -0.984 -4.179) 4.423 4.647 ( 0.535 -2.955 -0.074) 3.004 4.805 ( -0.975 -1.262 6.911) 7.093 4.922 ( 1.869 -8.139 13.483) 15.860 5.259 ( -2.019 7.196 8.327) 11.189 5.420 ( -1.498 -7.610 12.667) 14.853 6.261 ( -5.767 12.264 -4.328) 14.227 6.377 ( 0.266 0.157 -3.760) 3.773 6.436 ( 5.624 2.790 -8.864) 10.862 6.472 ( 3.563 -0.482 -4.204) 5.532 6.633 ( -0.843 5.011 -13.993) 14.887 6.723 ( -2.572 -3.147 -9.426) 10.265 6.855 ( -4.744 10.151 8.325) 13.959 7.006 ( 1.175 3.964 -2.086) 4.631 7.071 ( -1.080 -8.017 5.426) 9.740 7.099 ( -0.467 -2.655 -2.886) 3.949 7.407 ( -4.751 2.961 -8.623) 10.281 7.474 ( 0.088 0.847 -13.123) 13.151 7.623 ( -6.847 -5.363 10.540) 13.665 7.643 ( -9.189 -5.026 17.643) 20.518 7.900 ( -5.940 7.233 -4.356) 10.324 8.054 ( -8.905 -5.793 -11.824) 15.895 8.315 ( 3.325 6.326 3.588) 7.997 8.430 ( -5.150 -4.534 3.186) 7.565 8.964 ( -5.767 1.847 1.105) 6.156 9.017 ( -1.905 -2.534 1.868) 3.679 9.062 ( -4.274 2.931 3.517) 6.263 9.131 ( -3.918 -4.200 0.058) 5.744 9.191 ( -2.074 2.634 2.026) 3.917 9.264 ( -2.305 -4.374 3.449) 6.028 9.945 ( -3.292 1.564 10.955) 11.545 10.039 ( -3.632 -7.472 5.710) 10.081 10.143 ( 2.134 0.793 -5.620) 6.063 10.176 ( -3.358 -2.495 2.557) 4.903 10.653 ( -1.706 5.738 3.419) 6.893 10.720 ( -5.699 1.755 9.233) 10.991 10.795 ( -2.987 -5.890 -1.782) 6.840 10.829 ( -3.751 -7.384 12.018) 14.595 11.625 ( 5.077 6.144 5.140) 9.484 11.669 ( -2.926 1.885 5.208) 6.264 12.090 ( 1.560 2.974 5.410) 6.368 12.166 ( 4.602 -4.173 4.140) 7.465 12.318 ( -2.999 -0.986 -3.557) 4.756 12.336 ( 3.418 -3.952 0.203) 5.229 12.546 ( 5.573 3.266 0.030) 6.459 12.628 ( 5.208 -2.930 -1.853) 6.256 12.943 ( -1.683 3.225 1.334) 3.875 12.979 ( 0.234 -0.227 2.089) 2.114 13.371 ( 7.414 16.313 2.970) 18.163 13.643 ( 13.478 -10.326 4.662) 17.608 15.294 ( 10.490 5.508 -25.899) 28.481 15.431 ( 10.604 -6.889 -23.748) 26.904 15.524 ( 11.623 4.928 -28.073) 30.781 15.629 ( 8.436 -5.656 -21.755) 24.009 16.851 ( -6.442 1.983 25.991) 26.851 16.929 ( -4.552 -4.968 23.569) 24.513 17.551 ( -2.723 3.403 7.975) 9.088 17.625 ( -3.318 -3.711 9.749) 10.947 19.353 ( -1.451 9.135 5.818) 10.927 19.380 ( -0.659 5.765 0.572) 5.831 19.415 ( -1.755 0.996 3.473) 4.016 19.492 ( -0.439 -3.945 -0.827) 4.054 19.635 ( -0.342 2.418 -1.282) 2.758 19.762 ( -3.752 -8.407 9.657) 13.342 21.366 ( -17.227 14.763 -19.404) 29.853 21.692 ( -3.499 -16.489 -19.556) 25.818 ======================= Grid point 78 (42/108) ======================= q-point: ( 0.30 0.40 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 10.323 1.499 8.291) 13.324 2.070 ( 4.660 -1.553 -0.672) 4.958 2.271 ( 2.868 4.487 4.057) 6.694 2.417 ( 6.616 -7.751 4.707) 11.225 2.466 ( 4.856 8.187 19.573) 21.765 2.691 ( 9.042 -1.101 6.534) 11.210 2.712 ( 13.722 -2.432 5.076) 14.831 2.797 ( -3.617 -15.203 20.160) 25.508 3.214 ( -5.619 5.033 4.049) 8.561 3.340 ( -1.749 -6.366 3.954) 7.695 3.519 ( 8.515 5.096 -2.631) 10.266 3.614 ( 5.672 -0.527 4.598) 7.321 3.783 ( 4.276 0.472 0.497) 4.330 3.878 ( 7.911 -5.311 2.543) 9.862 4.269 ( -5.789 11.671 -12.192) 17.843 4.294 ( 0.281 6.726 -14.288) 15.795 4.469 ( 1.026 -3.421 -7.821) 8.598 4.548 ( 0.122 -4.572 -1.866) 4.940 4.615 ( 0.038 1.750 -1.449) 2.272 4.711 ( 1.316 -6.681 -1.936) 7.079 4.910 ( 3.726 7.860 14.137) 16.599 5.062 ( 2.076 -3.234 11.175) 11.817 5.251 ( -4.471 8.237 6.712) 11.528 5.451 ( -6.144 -9.134 11.716) 16.076 6.103 ( -4.458 11.838 -3.293) 13.071 6.292 ( -3.093 -4.978 -8.259) 10.127 6.458 ( -1.801 5.083 -1.474) 5.590 6.533 ( 3.997 -1.037 -2.355) 4.753 6.547 ( 4.322 4.661 -15.103) 16.386 6.635 ( -0.137 -3.711 -6.073) 7.118 6.821 ( -5.316 11.211 8.580) 15.085 6.960 ( -4.918 2.631 -7.260) 9.155 7.004 ( -2.515 -3.442 -3.432) 5.473 7.091 ( -4.853 -8.399 6.643) 11.757 7.287 ( 1.803 4.927 -13.203) 14.207 7.422 ( 2.830 -5.220 -8.981) 10.766 7.560 ( -7.070 -0.016 14.028) 15.709 7.626 ( -7.359 -7.335 17.312) 20.191 7.812 ( -1.029 1.260 -6.308) 6.515 7.826 ( -7.545 0.525 -1.959) 7.813 8.235 ( -9.403 3.527 -0.366) 10.050 8.352 ( -7.223 -5.702 1.944) 9.406 8.849 ( -4.784 2.862 -0.962) 5.657 8.947 ( -4.579 -5.823 -0.591) 7.431 9.047 ( -1.796 3.345 4.026) 5.534 9.111 ( -0.655 -3.709 1.279) 3.978 9.174 ( -1.332 3.039 3.045) 4.504 9.263 ( -0.602 -4.831 4.384) 6.551 9.977 ( -1.127 1.665 9.846) 10.050 10.039 ( -3.637 -3.945 12.725) 13.810 10.136 ( -1.485 -0.253 -0.511) 1.591 10.152 ( 3.573 -1.711 -9.413) 10.213 10.606 ( -1.351 3.502 -4.732) 6.040 10.670 ( -3.115 -2.298 0.241) 3.879 10.813 ( 3.901 6.237 9.672) 12.152 10.986 ( 4.696 -9.338 17.261) 20.179 11.555 ( -9.061 10.107 3.517) 14.022 11.716 ( -2.008 -4.377 5.518) 7.324 12.185 ( 4.967 6.825 2.968) 8.948 12.273 ( 1.980 6.697 0.390) 6.994 12.312 ( 6.424 -4.166 1.356) 7.776 12.442 ( 5.048 -7.467 3.698) 9.743 12.667 ( 5.142 4.493 -2.490) 7.268 12.725 ( 9.545 -3.136 -0.309) 10.051 12.937 ( -0.245 3.611 2.688) 4.508 13.017 ( 2.163 -2.933 2.471) 4.403 13.435 ( -0.868 17.761 -0.861) 17.803 13.826 ( 4.037 -18.949 0.628) 19.385 15.309 ( 9.111 5.825 -24.794) 27.050 15.446 ( 7.797 -6.249 -23.359) 25.407 15.546 ( 11.223 2.893 -28.316) 30.596 15.613 ( 6.583 -4.246 -23.938) 25.187 16.908 ( -5.657 4.138 22.757) 23.812 17.001 ( -4.166 -4.855 22.441) 23.335 17.548 ( -3.406 3.133 8.198) 9.414 17.619 ( -3.848 -3.632 8.769) 10.242 19.274 ( -6.357 7.303 2.558) 10.015 19.335 ( -1.630 6.483 -1.277) 6.806 19.410 ( -4.922 -4.460 2.615) 7.138 19.466 ( -0.876 -5.574 -2.133) 6.032 19.699 ( 5.340 5.349 5.342) 9.256 19.813 ( 0.606 -5.066 9.299) 10.607 20.940 ( -14.782 26.613 -14.340) 33.651 21.494 ( -4.600 -26.409 -14.301) 30.383 ======================= Grid point 79 (43/108) ======================= q-point: ( 0.40 0.40 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 2.871 1.899 1.563) 3.780 2.162 ( 3.028 -2.493 0.515) 3.956 2.378 ( -2.899 9.885 19.706) 22.236 2.563 ( 4.237 -2.902 6.207) 8.056 2.671 ( 4.608 5.843 8.862) 11.572 2.788 ( -4.543 -5.227 9.921) 12.099 2.915 ( 6.524 -1.358 7.984) 10.399 3.007 ( 6.994 -7.562 4.081) 11.080 3.161 ( 1.493 10.882 -0.024) 10.984 3.342 ( 0.664 -4.697 1.083) 4.865 3.642 ( 3.038 7.337 0.640) 7.966 3.813 ( 11.405 -2.564 -8.919) 14.704 3.868 ( 3.098 10.889 0.073) 11.321 3.984 ( -1.077 2.588 -0.853) 2.930 4.061 ( 1.252 -4.005 -2.224) 4.749 4.185 ( -2.522 -3.340 -15.715) 16.263 4.457 ( 2.243 3.963 -1.758) 4.881 4.587 ( 2.660 -6.039 4.882) 8.209 4.600 ( -1.991 1.227 -0.314) 2.360 4.680 ( -2.146 -4.454 -0.165) 4.947 4.961 ( -8.987 5.083 20.194) 22.680 5.092 ( -8.409 -3.251 12.939) 15.770 5.289 ( 3.152 -0.448 5.835) 6.647 5.364 ( -5.230 -6.015 7.219) 10.754 6.089 ( 5.010 6.723 -8.391) 11.862 6.220 ( 2.520 -4.731 -10.179) 11.504 6.417 ( -0.890 6.503 -1.451) 6.722 6.482 ( -0.447 1.352 -7.063) 7.205 6.605 ( 4.241 2.078 -5.347) 7.134 6.658 ( 3.397 -3.229 -1.251) 4.851 6.747 ( -5.696 4.576 -0.026) 7.306 6.805 ( -5.715 -0.561 -4.389) 7.227 6.926 ( -2.509 1.860 -5.970) 6.738 7.004 ( -6.732 -4.594 3.646) 8.929 7.283 ( 4.158 5.642 -9.652) 11.928 7.413 ( 1.155 -4.290 -6.342) 7.743 7.545 ( -3.501 1.645 10.630) 11.311 7.607 ( 0.070 -3.508 3.412) 4.894 7.750 ( -5.114 -0.890 9.233) 10.592 7.775 ( -3.578 -2.750 5.605) 7.196 8.091 ( -6.262 0.298 2.161) 6.631 8.195 ( -6.600 -9.566 1.644) 11.738 8.779 ( -1.725 2.937 -1.842) 3.872 8.867 ( -2.852 -4.883 -1.519) 5.855 9.037 ( -1.642 2.661 2.495) 4.000 9.101 ( -0.339 -4.647 -1.010) 4.768 9.186 ( -0.670 4.296 5.115) 6.713 9.289 ( -0.542 -4.898 5.613) 7.469 10.024 ( 0.356 2.171 5.507) 5.931 10.059 ( -6.240 -0.970 19.940) 20.916 10.099 ( -1.607 1.130 -1.531) 2.491 10.154 ( 5.146 -4.103 -14.746) 16.148 10.552 ( -0.037 3.766 -7.621) 8.500 10.623 ( 0.940 -2.770 -8.973) 9.437 10.973 ( 0.761 10.516 16.967) 19.976 11.181 ( 2.135 -8.167 16.588) 18.612 11.426 ( -6.594 11.085 7.911) 15.131 11.668 ( -5.233 -10.933 6.437) 13.724 12.275 ( 2.382 8.788 -2.399) 9.416 12.297 ( 3.050 6.433 -3.305) 7.849 12.466 ( 5.579 3.197 6.902) 9.433 12.552 ( 1.449 -2.799 6.206) 6.961 12.736 ( 4.857 8.902 -1.584) 10.264 12.908 ( 5.401 -6.372 1.045) 8.418 12.970 ( 3.094 5.259 1.996) 6.420 13.096 ( 3.437 -3.481 3.423) 5.970 13.374 ( -2.905 11.958 -1.046) 12.351 13.827 ( -2.028 -28.562 -2.073) 28.709 15.295 ( 7.737 4.881 -25.602) 27.187 15.409 ( 5.429 -5.423 -23.386) 24.613 15.557 ( 9.638 0.506 -27.421) 29.070 15.572 ( 8.368 -0.775 -27.435) 28.694 16.940 ( -6.589 6.335 21.064) 22.962 17.071 ( -4.570 -5.948 20.798) 22.109 17.536 ( -3.791 2.844 8.546) 9.772 17.606 ( -3.409 -3.710 7.669) 9.176 19.198 ( -2.963 3.676 1.788) 5.049 19.290 ( -4.553 -2.770 1.484) 5.532 19.337 ( -1.241 3.398 -0.747) 3.694 19.440 ( -0.112 -4.174 -2.116) 4.681 19.837 ( 3.249 2.919 8.312) 9.389 19.865 ( -1.276 0.501 6.688) 6.827 20.660 ( -5.941 34.107 -8.565) 35.664 21.354 ( -0.953 -32.055 -10.126) 33.630 ======================= Grid point 80 (44/108) ======================= q-point: (-0.50 0.40 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 1.405 1.188 4.700) 5.047 2.218 ( 1.759 -2.068 3.548) 4.468 2.377 ( -10.341 9.930 18.059) 23.058 2.597 ( -5.788 -7.988 6.363) 11.739 2.704 ( -6.763 4.578 0.242) 8.170 2.735 ( -0.341 0.957 -0.461) 1.116 2.935 ( -9.416 1.082 2.250) 9.742 3.020 ( -4.776 -5.184 6.434) 9.543 3.223 ( -6.916 8.860 -2.983) 11.629 3.317 ( -1.167 1.009 0.234) 1.560 3.642 ( -1.250 11.191 -9.850) 14.961 3.795 ( 7.850 8.814 4.478) 12.624 3.892 ( -4.579 -6.791 -20.296) 21.886 4.005 ( 2.314 -9.031 -2.277) 9.597 4.060 ( 3.421 4.036 3.473) 6.328 4.259 ( 10.326 -7.181 -4.418) 13.331 4.504 ( 3.064 4.928 7.235) 9.274 4.590 ( 1.098 1.841 2.754) 3.489 4.655 ( 0.795 0.011 6.434) 6.483 4.718 ( 2.812 -4.179 6.404) 8.148 4.967 ( -7.314 -1.823 17.081) 18.671 4.994 ( -6.013 -0.442 16.774) 17.825 5.363 ( -2.168 -0.620 4.405) 4.949 5.397 ( 1.887 -4.762 9.831) 11.086 6.095 ( 2.442 6.371 -12.036) 13.835 6.215 ( 4.011 -4.529 -11.451) 12.951 6.394 ( 0.174 8.435 -1.094) 8.507 6.471 ( 2.514 0.782 -3.616) 4.473 6.616 ( -3.228 -2.534 -2.498) 4.804 6.647 ( 1.933 5.016 -4.240) 6.847 6.660 ( -2.437 -5.190 -3.382) 6.657 6.763 ( 2.176 3.101 -2.417) 4.494 6.823 ( 0.308 -1.086 -8.601) 8.675 6.939 ( -0.788 -4.324 -3.878) 5.861 7.305 ( 4.207 2.200 -5.830) 7.519 7.386 ( 0.739 -5.064 -6.116) 7.975 7.567 ( -3.085 3.808 12.058) 13.016 7.655 ( -1.665 -3.841 10.052) 10.889 7.727 ( -0.990 -0.197 2.050) 2.285 7.766 ( -0.500 -3.401 9.518) 10.120 8.034 ( -0.438 5.398 3.263) 6.323 8.204 ( 2.602 -9.821 5.017) 11.331 8.759 ( 0.881 2.438 -1.730) 3.117 8.824 ( -0.721 -2.820 -1.482) 3.266 9.022 ( -1.282 1.939 1.304) 2.665 9.088 ( 0.092 -5.685 -2.158) 6.082 9.208 ( -1.153 4.460 5.979) 7.547 9.310 ( -1.440 -4.770 5.931) 7.746 10.044 ( -2.032 2.243 -2.934) 4.215 10.060 ( -0.115 2.516 3.920) 4.659 10.077 ( -6.223 -0.645 17.182) 18.285 10.149 ( 4.823 -4.872 -13.266) 14.933 10.504 ( 0.271 3.790 -6.543) 7.566 10.585 ( 2.046 -3.855 -10.347) 11.230 10.969 ( -10.867 12.533 13.597) 21.449 11.234 ( -8.796 -12.172 13.709) 20.334 11.474 ( 3.501 11.319 13.409) 17.893 11.699 ( 2.653 -10.079 11.223) 15.316 12.252 ( -1.134 10.009 -5.253) 11.360 12.329 ( 2.193 3.450 -3.601) 5.448 12.532 ( -5.917 4.093 5.477) 9.043 12.585 ( -0.407 -2.163 6.011) 6.401 12.779 ( 0.580 11.736 -1.211) 11.813 12.951 ( -1.232 -4.684 2.896) 5.643 13.043 ( 0.547 6.245 1.407) 6.425 13.139 ( -0.313 0.490 4.613) 4.649 13.367 ( 1.439 5.018 0.967) 5.309 13.794 ( 1.299 -31.092 -2.024) 31.185 15.264 ( 8.380 3.730 -27.418) 28.912 15.352 ( 6.690 -4.509 -25.434) 26.683 15.534 ( 8.814 1.418 -28.710) 30.066 15.556 ( 9.097 -0.687 -27.787) 29.247 16.953 ( -7.150 6.882 20.927) 23.161 17.094 ( -7.769 -6.208 19.539) 21.925 17.528 ( -3.203 2.775 8.702) 9.679 17.595 ( -3.297 -3.533 7.319) 8.771 19.182 ( -0.464 0.584 1.228) 1.437 19.226 ( -1.959 -3.689 1.104) 4.320 19.332 ( 0.655 6.609 -0.859) 6.697 19.440 ( 1.422 -3.722 -1.318) 4.197 19.844 ( -4.703 5.308 4.775) 8.549 19.918 ( -1.115 -1.970 8.742) 9.030 20.624 ( 6.624 35.086 -3.550) 35.882 21.337 ( 5.530 -32.850 -7.273) 34.096 ======================= Grid point 81 (45/108) ======================= q-point: (-0.40 0.40 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -13.386 6.098 2.383) 14.901 2.237 ( -4.746 -4.078 1.858) 6.528 2.345 ( -3.210 2.509 11.711) 12.399 2.459 ( -9.558 -9.258 5.053) 14.234 2.585 ( -8.941 9.120 6.977) 14.553 2.682 ( -4.254 -1.042 -4.699) 6.423 2.709 ( -10.136 4.922 -1.224) 11.334 2.926 ( -11.404 -7.745 10.589) 17.383 3.043 ( -7.610 -2.810 0.211) 8.115 3.119 ( -12.724 -8.495 -11.236) 18.982 3.574 ( -4.499 4.179 3.278) 6.960 3.688 ( -6.707 -7.074 -0.183) 9.750 3.975 ( 4.776 6.264 4.969) 9.313 4.101 ( 7.734 -4.068 2.983) 9.233 4.234 ( 13.107 13.945 -8.583) 20.974 4.311 ( 2.809 3.746 -3.588) 5.899 4.617 ( -0.066 -0.967 3.538) 3.668 4.675 ( 6.901 -4.492 2.568) 8.625 4.738 ( 1.579 3.155 4.759) 5.924 4.767 ( -1.487 1.499 6.951) 7.265 4.898 ( -10.532 3.849 6.347) 12.885 5.032 ( -1.849 -5.712 11.734) 13.181 5.301 ( -7.721 3.958 4.678) 9.857 5.448 ( -6.157 -8.014 10.800) 14.791 6.088 ( 5.339 10.822 -2.798) 12.388 6.260 ( 9.313 -4.762 -7.214) 12.706 6.432 ( 4.440 8.049 -3.044) 9.683 6.460 ( 0.001 2.742 -7.709) 8.182 6.554 ( -1.402 -4.431 -3.995) 6.128 6.615 ( -1.330 -5.989 1.676) 6.360 6.624 ( 1.853 7.633 -11.179) 13.662 6.808 ( 5.418 0.358 -6.549) 8.507 6.845 ( 4.553 -5.526 -2.863) 7.711 6.948 ( 4.791 -6.392 -3.891) 8.886 7.356 ( 4.976 1.391 -5.581) 7.606 7.399 ( 6.631 -2.975 -7.458) 10.414 7.580 ( -4.925 4.394 16.861) 18.107 7.672 ( -6.801 -3.200 22.819) 24.025 7.778 ( 6.345 2.308 -5.859) 8.939 7.870 ( 6.031 -6.164 2.106) 8.877 8.105 ( 4.173 9.966 4.933) 11.878 8.282 ( 2.488 -4.857 0.297) 5.465 8.786 ( 2.552 1.360 -0.713) 2.978 8.821 ( 1.265 -0.930 -0.636) 1.694 9.011 ( -0.522 1.204 1.051) 1.681 9.078 ( 0.338 -6.351 -1.571) 6.551 9.223 ( -1.103 4.282 5.104) 6.753 9.319 ( -1.690 -4.394 5.715) 7.404 9.978 ( -2.414 2.840 -2.713) 4.610 10.054 ( -2.366 -4.361 0.713) 5.013 10.081 ( 0.106 3.643 2.110) 4.211 10.160 ( -0.636 -3.751 4.045) 5.553 10.481 ( 1.117 3.258 -3.568) 4.959 10.557 ( 1.740 -3.647 -8.810) 9.693 10.860 ( -9.076 7.120 14.762) 18.734 11.088 ( -14.208 -13.703 12.940) 23.602 11.664 ( 5.271 10.810 13.816) 18.317 11.844 ( 2.371 -6.143 11.911) 13.610 12.161 ( -5.080 9.665 -4.079) 11.656 12.322 ( -1.253 -2.330 -5.413) 6.025 12.421 ( -6.858 3.710 5.138) 9.338 12.557 ( -3.780 -7.551 2.841) 8.909 12.775 ( -2.926 10.811 1.652) 11.321 12.863 ( -7.417 -1.269 0.539) 7.544 13.034 ( -3.210 3.897 7.165) 8.765 13.162 ( -1.824 -5.078 6.595) 8.521 13.420 ( 2.548 13.279 0.285) 13.524 13.805 ( -0.452 -21.696 -3.057) 21.915 15.244 ( 9.858 3.519 -28.827) 30.668 15.324 ( 9.478 -3.980 -28.038) 29.863 15.497 ( 8.377 2.283 -30.215) 31.438 15.534 ( 9.025 -1.426 -28.346) 29.782 16.949 ( -8.880 4.979 21.305) 23.613 17.048 ( -10.863 -4.571 19.858) 23.092 17.535 ( -2.391 1.900 8.673) 9.195 17.579 ( -3.660 -2.322 7.411) 8.585 19.180 ( 0.140 2.286 0.593) 2.366 19.243 ( 2.596 -3.615 -1.046) 4.571 19.346 ( 1.351 7.015 -0.307) 7.151 19.469 ( 2.101 -5.044 -0.620) 5.499 19.768 ( -5.978 8.284 4.275) 11.074 19.924 ( -4.425 -6.643 9.612) 12.494 20.846 ( 18.040 29.329 -1.100) 34.450 21.452 ( 11.389 -28.543 -7.029) 31.524 ======================= Grid point 82 (46/108) ======================= q-point: (-0.30 0.40 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -17.687 3.786 0.711) 18.102 2.045 ( -9.487 -11.891 -0.878) 15.237 2.278 ( -15.786 13.413 22.222) 30.380 2.403 ( -5.769 -1.375 0.870) 5.994 2.458 ( -4.618 -1.370 2.839) 5.591 2.524 ( -7.691 -2.384 -0.749) 8.086 2.611 ( -3.287 1.130 3.203) 4.726 2.793 ( -8.670 -9.468 8.237) 15.254 2.906 ( -2.106 -8.023 -3.481) 8.996 2.934 ( -3.829 -7.010 -1.451) 8.118 3.511 ( -4.398 4.370 5.182) 8.081 3.610 ( -3.858 -5.021 3.851) 7.411 4.059 ( -1.291 11.741 3.463) 12.309 4.173 ( -0.406 9.373 -3.926) 10.170 4.347 ( -1.879 -3.529 7.144) 8.187 4.413 ( 6.030 -0.545 -1.157) 6.165 4.612 ( -2.640 6.673 -3.116) 7.823 4.669 ( -3.978 2.644 -2.855) 5.565 4.734 ( -3.002 -1.877 6.933) 7.785 4.777 ( 3.176 -2.396 1.619) 4.296 4.875 ( 1.582 2.595 9.085) 9.580 4.999 ( -7.984 -6.569 3.524) 10.924 5.180 ( -6.201 1.009 6.836) 9.285 5.307 ( -13.494 -8.923 7.259) 17.732 6.261 ( 8.404 13.781 3.431) 16.502 6.398 ( 3.819 3.598 -13.234) 14.237 6.409 ( 3.485 -1.034 -2.449) 4.383 6.486 ( 5.133 3.873 -7.328) 9.749 6.513 ( 5.261 -3.447 -13.025) 14.464 6.585 ( 2.502 -2.355 -7.669) 8.404 6.662 ( 4.840 5.784 0.924) 7.598 6.854 ( 2.617 -10.176 -0.010) 10.507 6.936 ( 4.585 2.504 -2.899) 5.975 6.985 ( 1.520 -1.174 -3.314) 3.830 7.421 ( 5.723 2.712 -4.519) 7.780 7.508 ( 8.147 -4.356 -8.149) 12.319 7.665 ( 2.227 6.180 18.722) 19.841 7.742 ( -2.562 -0.507 21.118) 21.279 7.840 ( 4.891 2.782 -5.908) 8.159 8.018 ( 10.228 -13.680 -0.808) 17.100 8.194 ( 0.258 10.374 -0.254) 10.380 8.291 ( 0.916 2.199 -1.944) 3.074 8.822 ( 1.689 1.557 -1.149) 2.569 8.867 ( 3.036 -2.146 0.618) 3.769 9.029 ( 2.048 1.047 1.625) 2.816 9.096 ( 2.538 -5.633 0.736) 6.222 9.239 ( -0.469 5.069 4.208) 6.605 9.330 ( -1.022 -3.330 5.458) 6.474 9.942 ( -0.105 1.621 0.586) 1.727 10.018 ( 1.387 -5.186 -6.343) 8.310 10.094 ( -0.424 3.200 2.571) 4.127 10.170 ( -3.194 -4.489 9.892) 11.323 10.497 ( 1.934 2.500 -0.776) 3.254 10.540 ( 1.904 -1.930 -4.221) 5.016 10.848 ( -4.834 -2.315 15.293) 16.205 10.942 ( -9.250 -10.844 16.196) 21.575 11.820 ( 0.869 7.954 11.560) 14.059 11.894 ( -5.236 1.167 9.929) 11.286 12.031 ( -5.468 6.528 -2.206) 8.797 12.190 ( -6.838 -7.854 -2.532) 10.717 12.419 ( 1.119 4.001 3.134) 5.204 12.519 ( -3.064 -5.614 4.177) 7.638 12.672 ( -6.472 3.700 2.584) 7.889 12.744 ( -7.362 -2.159 2.490) 8.066 13.034 ( -2.397 6.448 7.362) 10.075 13.168 ( -3.063 -6.038 8.701) 11.025 13.403 ( -4.722 15.023 -2.095) 15.886 13.686 ( -9.560 -12.081 -5.788) 16.457 15.242 ( 10.873 3.597 -29.247) 31.409 15.315 ( 10.280 -3.291 -30.171) 32.044 15.442 ( 8.449 3.970 -31.604) 32.954 15.515 ( 9.464 -3.110 -28.421) 30.116 16.902 ( -11.809 2.695 22.896) 25.903 16.975 ( -11.603 -4.119 20.932) 24.285 17.549 ( -2.449 0.452 7.241) 7.657 17.562 ( -3.539 -0.777 8.706) 9.430 19.192 ( 0.566 4.249 -0.937) 4.388 19.270 ( 1.093 -3.148 -3.010) 4.490 19.379 ( 2.135 7.120 0.326) 7.441 19.501 ( 1.218 -4.897 0.005) 5.046 19.710 ( -3.027 9.279 5.642) 11.273 19.905 ( -4.470 -9.077 10.952) 14.911 21.246 ( 24.651 18.182 -2.306) 30.718 21.642 ( 14.503 -19.728 -10.602) 26.682 ======================= Grid point 83 (47/108) ======================= q-point: (-0.20 0.40 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -9.421 19.789 5.826) 22.678 1.902 ( -8.726 -1.545 2.097) 9.106 2.078 ( -17.240 10.715 14.230) 24.789 2.255 ( -7.465 11.951 4.359) 14.750 2.398 ( -7.729 -9.934 4.917) 13.513 2.482 ( 1.839 -11.454 5.329) 12.766 2.581 ( -4.035 -2.782 3.196) 5.851 2.729 ( -4.487 -16.363 11.307) 20.389 2.916 ( 4.740 0.904 -5.529) 7.339 2.958 ( 7.445 -8.111 1.945) 11.180 3.490 ( -2.678 5.752 3.271) 7.139 3.512 ( -10.467 7.914 -1.586) 13.217 3.954 ( -5.169 7.273 0.654) 8.946 4.093 ( -9.253 11.004 4.637) 15.106 4.202 ( -10.669 -10.724 -1.308) 15.184 4.377 ( -7.623 -8.627 -0.980) 11.554 4.633 ( 2.052 1.163 -2.573) 3.490 4.654 ( 0.700 0.802 2.158) 2.406 4.705 ( -3.996 6.215 7.477) 10.512 4.800 ( -3.758 3.386 4.188) 6.567 4.899 ( -4.487 -4.479 8.043) 10.241 5.030 ( 0.814 -10.520 9.241) 14.026 5.115 ( -0.930 0.870 5.868) 6.005 5.204 ( 0.453 -5.718 6.119) 8.387 6.313 ( -2.164 5.778 0.102) 6.171 6.355 ( -2.151 2.862 -3.501) 5.007 6.414 ( 4.164 3.741 -11.883) 13.135 6.483 ( 4.788 -1.890 -15.781) 16.599 6.619 ( 10.380 2.274 -12.536) 16.434 6.640 ( 9.198 -0.435 -12.552) 15.567 6.755 ( 1.771 3.208 4.039) 5.454 6.884 ( 0.520 -8.220 0.810) 8.276 6.972 ( 3.079 1.951 -1.717) 4.029 7.003 ( 1.771 -1.047 -2.278) 3.070 7.510 ( 5.002 4.060 1.017) 6.522 7.579 ( 4.121 -2.494 -3.249) 5.811 7.763 ( -2.822 3.663 3.856) 6.020 7.797 ( -3.127 0.133 9.611) 10.108 7.995 ( 12.833 9.309 3.285) 16.190 8.079 ( -8.382 9.640 1.939) 12.921 8.255 ( 14.207 -7.745 -11.734) 19.988 8.302 ( 0.617 -4.141 0.254) 4.194 8.842 ( 1.583 1.890 -1.080) 2.692 8.907 ( 1.211 -4.452 -0.754) 4.675 9.121 ( 4.850 1.631 3.923) 6.447 9.185 ( 4.569 -4.677 3.245) 7.299 9.278 ( 2.747 5.214 3.606) 6.909 9.362 ( 0.739 -2.352 4.832) 5.424 9.977 ( 2.264 2.741 0.673) 3.619 10.048 ( 8.196 -2.918 -11.451) 14.381 10.105 ( -0.857 2.678 6.234) 6.839 10.206 ( 1.826 -7.122 8.125) 10.958 10.556 ( 2.615 -0.860 6.634) 7.182 10.587 ( 2.983 -4.101 6.389) 8.157 10.833 ( -4.605 3.548 15.711) 16.752 11.025 ( 1.829 -13.625 19.283) 23.682 11.750 ( -13.123 8.401 9.410) 18.202 11.856 ( -6.810 -1.799 7.943) 10.616 11.984 ( 0.542 3.868 1.276) 4.109 12.061 ( -6.152 -3.799 -0.352) 7.239 12.399 ( -3.723 6.522 -2.329) 7.863 12.508 ( -2.729 -3.159 0.798) 4.250 12.605 ( -4.839 0.355 6.128) 7.817 12.645 ( -5.705 -3.757 9.529) 11.724 13.019 ( -3.822 7.904 3.569) 9.477 13.157 ( -4.340 -5.048 6.779) 9.501 13.221 ( -11.711 7.332 -0.319) 13.820 13.378 ( -17.574 -6.650 -6.743) 19.963 15.252 ( 11.211 2.311 -29.211) 31.374 15.296 ( 10.013 -1.869 -31.232) 32.851 15.404 ( 10.352 4.770 -30.384) 32.452 15.502 ( 9.338 -4.518 -27.791) 29.664 16.839 ( -12.120 0.376 25.905) 28.602 16.890 ( -13.011 -3.788 22.217) 26.023 17.534 ( -3.471 1.557 7.165) 8.112 17.572 ( -2.398 -1.966 8.599) 9.141 19.177 ( -1.087 2.898 -0.521) 3.139 19.242 ( -1.432 -3.218 -3.374) 4.877 19.434 ( 2.912 5.381 1.381) 6.272 19.504 ( -1.072 -1.943 0.333) 2.244 19.735 ( 0.719 8.951 6.760) 11.240 19.910 ( -3.067 -7.765 10.539) 13.445 21.688 ( 24.410 6.547 -7.235) 26.288 21.826 ( 15.093 -6.684 -18.428) 24.739 ======================= Grid point 84 (48/108) ======================= q-point: (-0.10 0.40 0.14) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 1.909 23.917 7.165) 25.040 1.741 ( -9.778 13.014 4.356) 16.851 1.894 ( -8.980 5.040 7.541) 12.763 2.234 ( 0.835 17.835 5.559) 18.700 2.290 ( -7.233 -2.226 6.773) 10.156 2.497 ( -5.469 -3.876 0.763) 6.747 2.519 ( -3.670 -15.006 9.855) 18.324 2.771 ( -3.047 -5.963 7.577) 10.112 2.980 ( 1.893 12.337 1.793) 12.610 3.173 ( 10.450 -8.038 3.895) 13.747 3.220 ( -8.850 10.825 2.409) 14.188 3.480 ( -0.904 -1.733 -1.024) 2.207 3.902 ( -8.400 5.311 -2.561) 10.263 3.957 ( -2.599 -3.482 4.341) 6.142 4.037 ( -3.950 -11.524 -5.813) 13.498 4.207 ( -6.627 -20.115 2.570) 21.334 4.596 ( -5.623 7.152 5.763) 10.770 4.681 ( -3.068 1.139 2.403) 4.060 4.703 ( -4.344 4.832 3.719) 7.486 4.713 ( -1.413 0.764 2.953) 3.362 4.880 ( -2.973 -3.650 4.549) 6.546 4.968 ( -7.906 -8.830 11.249) 16.340 5.261 ( 3.620 0.980 3.693) 5.263 5.328 ( 5.771 -3.553 6.529) 9.410 6.260 ( -2.024 3.897 -0.166) 4.394 6.299 ( -2.554 0.457 0.188) 2.602 6.394 ( 5.159 5.584 -18.395) 19.904 6.468 ( 5.123 -1.786 -15.998) 16.893 6.689 ( 5.878 3.389 -11.144) 13.047 6.738 ( 9.056 1.475 -7.270) 11.706 6.803 ( 1.063 1.034 3.532) 3.831 6.910 ( 2.002 -6.659 -0.045) 6.954 7.017 ( 4.163 1.112 -4.130) 5.968 7.028 ( 1.177 -0.116 0.656) 1.352 7.593 ( 2.281 1.185 -7.615) 8.037 7.615 ( 4.310 -1.621 -4.632) 6.531 7.708 ( -6.147 2.893 9.444) 11.634 7.788 ( -6.021 -4.673 16.111) 17.823 7.958 ( -4.967 7.890 6.460) 11.342 8.130 ( -2.731 -4.915 -0.231) 5.627 8.338 ( 8.804 7.156 -3.820) 11.971 8.397 ( 10.763 3.604 -24.289) 26.810 8.873 ( 2.022 1.473 0.126) 2.505 8.922 ( 1.339 -3.394 -0.420) 3.673 9.214 ( 0.811 2.384 6.948) 7.390 9.252 ( -0.162 -1.887 4.311) 4.708 9.381 ( 4.018 0.234 -2.329) 4.650 9.424 ( 3.932 -2.847 1.431) 5.061 10.004 ( 4.919 3.569 -11.584) 13.082 10.090 ( 5.279 -4.475 -12.614) 14.387 10.226 ( 4.398 6.687 11.609) 14.101 10.326 ( 7.343 -1.874 -3.176) 8.217 10.632 ( 1.195 1.582 6.412) 6.711 10.807 ( 1.079 -16.435 35.563) 39.192 10.933 ( 2.835 11.412 17.729) 21.274 11.220 ( 4.175 -16.401 21.973) 27.735 11.542 ( -15.414 10.895 9.602) 21.178 11.737 ( -11.404 -7.856 8.665) 16.335 11.935 ( -7.601 4.437 -0.396) 8.810 12.008 ( 0.458 -2.168 1.021) 2.440 12.295 ( -4.294 6.264 -4.174) 8.666 12.375 ( -5.842 -0.846 -3.448) 6.836 12.542 ( -7.861 0.624 5.977) 9.895 12.605 ( -8.029 -6.208 8.169) 13.028 12.921 ( -5.535 5.584 -0.617) 7.887 13.020 ( -10.433 -3.700 -1.176) 11.132 13.060 ( -5.339 1.131 4.948) 7.367 13.137 ( -6.194 -5.473 6.871) 10.749 15.264 ( 11.123 0.898 -29.404) 31.450 15.284 ( 11.069 -0.869 -29.151) 31.194 15.420 ( 11.996 2.744 -28.313) 30.871 15.493 ( 9.493 -4.732 -25.783) 27.880 16.785 ( -12.522 0.674 25.337) 28.270 16.821 ( -11.516 -2.621 28.041) 30.427 17.524 ( -2.917 2.440 7.774) 8.654 17.583 ( -2.445 -3.070 8.161) 9.056 19.166 ( -0.550 0.333 1.048) 1.230 19.200 ( -0.353 -3.125 0.025) 3.145 19.467 ( -1.589 1.822 1.001) 2.617 19.497 ( 1.024 -0.734 1.686) 2.105 19.802 ( 0.869 6.795 6.519) 9.456 19.910 ( -4.209 -3.760 8.024) 9.810 21.940 ( 13.831 7.496 -28.153) 32.250 22.007 ( 15.824 -0.604 -14.618) 21.551 ======================= Grid point 105 (49/108) ======================= q-point: ( 0.00 0.00 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 8.294 0.000 30.545) 31.651 1.542 ( 1.103 0.000 31.583) 31.602 1.893 ( 5.873 0.000 2.782) 6.498 2.067 ( -3.295 0.000 2.447) 4.104 2.091 ( 9.534 0.000 12.263) 15.533 2.468 ( -5.650 0.000 -2.828) 6.319 2.699 ( -7.007 0.000 41.862) 42.444 2.793 ( 11.857 0.000 -15.670) 19.650 3.149 ( -2.041 0.000 -3.183) 3.781 3.374 ( 3.168 0.000 2.986) 4.353 3.583 ( 0.099 0.000 -5.691) 5.692 3.677 ( -15.074 0.000 6.281) 16.330 3.891 ( -5.918 0.000 5.178) 7.863 3.956 ( -0.650 0.000 -2.372) 2.459 3.987 ( -3.963 0.000 14.574) 15.104 4.293 ( -4.917 0.000 -1.853) 5.255 4.537 ( -2.488 0.000 5.305) 5.859 4.678 ( 1.063 0.000 -8.234) 8.302 4.739 ( 5.636 0.000 8.003) 9.788 4.867 ( -4.180 0.000 -0.251) 4.188 5.159 ( -3.373 0.000 -0.855) 3.480 5.193 ( -6.296 0.000 1.470) 6.465 5.416 ( -0.004 0.000 -1.228) 1.228 5.705 ( 2.228 0.000 -14.718) 14.885 5.729 ( 6.287 0.000 -20.376) 21.324 5.939 ( -9.176 0.000 10.694) 14.091 6.158 ( -0.508 0.000 6.302) 6.323 6.373 ( 5.565 0.000 -18.402) 19.225 6.493 ( 4.533 0.000 -2.355) 5.109 6.662 ( 3.099 0.000 2.226) 3.816 6.764 ( -2.852 0.000 -4.031) 4.938 7.068 ( 3.020 0.000 0.454) 3.054 7.085 ( 5.315 0.000 -2.790) 6.003 7.171 ( -3.441 0.000 -13.704) 14.129 7.189 ( -14.172 0.000 20.800) 25.169 7.313 ( 9.613 0.000 2.879) 10.035 7.564 ( 6.110 0.000 -8.057) 10.112 7.822 ( -3.022 0.000 -7.736) 8.305 7.987 ( -1.299 0.000 -2.072) 2.445 8.369 ( -8.810 0.000 18.674) 20.648 8.464 ( 3.196 0.000 29.518) 29.691 8.487 ( 7.052 0.000 0.292) 7.058 8.955 ( 5.651 0.000 3.556) 6.676 9.130 ( 0.902 0.000 1.783) 1.998 9.198 ( -1.728 0.000 4.266) 4.603 9.324 ( -7.599 0.000 -7.703) 10.821 9.371 ( -2.323 0.000 -4.388) 4.965 9.495 ( 1.395 0.000 6.974) 7.112 9.720 ( 5.825 0.000 -13.351) 14.567 10.011 ( 7.532 0.000 -10.307) 12.766 10.060 ( -0.738 0.000 -10.046) 10.073 10.393 ( 3.649 0.000 -7.068) 7.955 10.919 ( -7.565 0.000 12.511) 14.621 10.953 ( -19.338 0.000 28.318) 34.292 11.224 ( -2.075 0.000 15.972) 16.106 11.608 ( -4.766 0.000 3.602) 5.974 11.697 ( 17.548 0.000 3.953) 17.988 11.854 ( 2.360 0.000 -2.268) 3.273 11.948 ( -4.482 0.000 4.502) 6.353 12.005 ( -3.285 0.000 -5.314) 6.247 12.347 ( -1.849 0.000 -0.942) 2.075 12.428 ( 2.234 0.000 3.151) 3.863 12.462 ( -3.954 0.000 -1.947) 4.408 12.951 ( 4.948 0.000 4.903) 6.966 12.978 ( -1.110 0.000 14.540) 14.582 13.066 ( -12.552 0.000 0.404) 12.558 13.261 ( 0.715 0.000 10.261) 10.286 13.637 ( -30.101 0.000 -0.533) 30.105 14.441 ( 17.082 0.000 -45.312) 48.425 14.673 ( 9.088 0.000 -33.098) 34.323 15.111 ( 27.940 0.000 -15.570) 31.985 15.604 ( -31.673 0.000 -23.277) 39.307 17.238 ( 2.177 0.000 19.067) 19.191 17.646 ( -3.155 0.000 5.255) 6.130 17.874 ( 0.586 0.000 9.367) 9.386 18.030 ( -35.342 0.000 5.190) 35.721 19.090 ( -3.275 0.000 -1.467) 3.588 19.098 ( 0.356 0.000 -0.659) 0.749 19.459 ( 0.100 0.000 2.857) 2.859 19.509 ( 0.944 0.000 1.431) 1.715 19.908 ( -19.856 0.000 6.379) 20.855 19.991 ( 17.040 0.000 17.584) 24.486 20.328 ( 57.848 0.000 -1.178) 57.860 21.630 ( -5.741 0.000 -24.528) 25.191 ======================= Grid point 106 (50/108) ======================= q-point: ( 0.10 0.00 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 15.552 0.000 16.653) 22.786 1.856 ( 10.346 0.000 20.267) 22.755 2.108 ( 13.459 0.000 4.682) 14.250 2.115 ( 9.838 0.000 4.281) 10.729 2.340 ( -3.826 0.000 -8.426) 9.253 2.461 ( 18.228 0.000 15.656) 24.028 2.915 ( 14.285 0.000 -22.510) 26.660 2.921 ( -0.594 0.000 40.306) 40.310 3.133 ( 0.998 0.000 -0.487) 1.111 3.413 ( -0.559 0.000 2.134) 2.206 3.488 ( -10.493 0.000 8.711) 13.638 3.547 ( 3.920 0.000 -12.924) 13.506 3.799 ( -7.405 0.000 0.970) 7.468 3.920 ( -3.363 0.000 0.995) 3.507 3.962 ( -11.004 0.000 9.792) 14.730 4.275 ( 4.977 0.000 12.652) 13.595 4.489 ( -5.211 0.000 4.459) 6.858 4.600 ( -2.840 0.000 -8.131) 8.613 4.753 ( -4.752 0.000 -2.664) 5.448 4.871 ( 3.271 0.000 6.610) 7.375 5.114 ( -5.477 0.000 8.007) 9.701 5.138 ( -2.141 0.000 0.217) 2.152 5.409 ( 0.445 0.000 0.408) 0.604 5.650 ( -7.631 0.000 12.986) 15.062 5.725 ( 7.630 0.000 -22.131) 23.409 5.820 ( 0.017 0.000 -13.268) 13.268 6.175 ( -1.537 0.000 5.514) 5.724 6.355 ( 5.263 0.000 -16.592) 17.407 6.545 ( 2.508 0.000 -1.930) 3.164 6.692 ( -3.090 0.000 -2.241) 3.817 6.699 ( -1.195 0.000 2.385) 2.667 7.017 ( -2.221 0.000 -13.857) 14.034 7.059 ( -12.030 0.000 19.983) 23.325 7.107 ( 0.579 0.000 -2.837) 2.896 7.172 ( 7.075 0.000 -9.420) 11.781 7.518 ( 7.610 0.000 -1.414) 7.740 7.648 ( 7.321 0.000 2.108) 7.619 7.726 ( -1.004 0.000 -5.235) 5.331 7.904 ( -3.618 0.000 -9.937) 10.575 8.349 ( -7.924 0.000 21.855) 23.247 8.501 ( -5.065 0.000 3.603) 6.216 8.670 ( -3.661 0.000 21.484) 21.793 9.051 ( 0.455 0.000 2.499) 2.541 9.117 ( -7.436 0.000 -2.707) 7.914 9.148 ( -0.214 0.000 3.360) 3.367 9.210 ( -0.585 0.000 5.217) 5.250 9.270 ( -4.453 0.000 -4.478) 6.315 9.557 ( -0.420 0.000 5.917) 5.931 9.750 ( 7.768 0.000 -15.266) 17.128 9.901 ( -4.480 0.000 -13.910) 14.613 10.108 ( 9.687 0.000 -9.171) 13.340 10.341 ( -1.873 0.000 -10.303) 10.472 10.831 ( -13.735 0.000 28.864) 31.966 10.998 ( 4.385 0.000 13.880) 14.556 11.284 ( -4.367 0.000 14.843) 15.473 11.458 ( -13.364 0.000 3.696) 13.865 11.721 ( -5.237 0.000 -0.559) 5.267 11.949 ( 1.515 0.000 -8.526) 8.660 12.033 ( 6.761 0.000 11.967) 13.745 12.223 ( 20.249 0.000 2.452) 20.397 12.252 ( -2.238 0.000 -1.871) 2.917 12.428 ( -5.055 0.000 1.950) 5.418 12.520 ( 8.227 0.000 -1.614) 8.384 12.843 ( -42.563 0.000 15.475) 45.288 12.855 ( -15.184 0.000 4.112) 15.731 12.975 ( -4.434 0.000 17.666) 18.214 13.046 ( -3.583 0.000 6.872) 7.750 13.526 ( 18.526 0.000 6.360) 19.588 14.458 ( 16.924 0.000 -44.160) 47.292 14.625 ( 10.796 0.000 -32.672) 34.409 15.096 ( -3.197 0.000 -27.206) 27.393 15.506 ( 19.467 0.000 -6.276) 20.454 17.382 ( -1.248 0.000 16.537) 16.584 17.597 ( -20.240 0.000 17.903) 27.021 17.601 ( -3.581 0.000 3.128) 4.755 17.970 ( 0.263 0.000 12.804) 12.807 19.044 ( -1.249 0.000 0.064) 1.251 19.106 ( 0.744 0.000 -0.161) 0.761 19.511 ( 3.007 0.000 1.928) 3.572 19.520 ( -3.024 0.000 2.812) 4.129 19.610 ( -10.058 0.000 -0.798) 10.089 20.262 ( 1.115 0.000 20.957) 20.986 21.195 ( -21.131 0.000 -26.567) 33.946 21.230 ( 41.507 0.000 -24.013) 47.953 ======================= Grid point 107 (51/108) ======================= q-point: ( 0.20 0.00 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 6.955 0.000 0.317) 6.963 2.151 ( 9.724 0.000 10.835) 14.558 2.218 ( -1.745 0.000 -8.312) 8.493 2.397 ( 12.083 0.000 4.265) 12.814 2.524 ( 17.460 0.000 21.406) 27.624 2.815 ( 7.707 0.000 -5.366) 9.391 3.076 ( 16.425 0.000 -3.787) 16.856 3.114 ( -0.535 0.000 -1.918) 1.991 3.159 ( -1.668 0.000 15.485) 15.574 3.349 ( -3.505 0.000 -9.066) 9.719 3.426 ( -4.770 0.000 16.228) 16.915 3.508 ( -7.483 0.000 6.114) 9.663 3.656 ( 8.243 0.000 -21.151) 22.700 3.854 ( -4.104 0.000 2.989) 5.077 3.886 ( -6.331 0.000 16.931) 18.076 4.446 ( -3.103 0.000 8.338) 8.897 4.520 ( -0.641 0.000 -1.726) 1.841 4.594 ( 13.689 0.000 21.902) 25.828 4.680 ( -1.232 0.000 -2.172) 2.497 4.924 ( -5.324 0.000 8.743) 10.237 5.028 ( -7.222 0.000 4.318) 8.414 5.078 ( -3.078 0.000 -3.489) 4.652 5.439 ( 0.496 0.000 5.591) 5.613 5.594 ( -9.206 0.000 19.561) 21.619 5.689 ( 4.502 0.000 -21.003) 21.480 5.819 ( 10.479 0.000 -17.977) 20.808 6.212 ( 2.380 0.000 3.546) 4.271 6.333 ( 1.779 0.000 -11.325) 11.464 6.560 ( -0.424 0.000 1.121) 1.198 6.610 ( -1.179 0.000 -8.887) 8.965 6.662 ( -2.499 0.000 -0.584) 2.566 6.900 ( -1.926 0.000 -9.328) 9.525 6.991 ( -8.396 0.000 15.925) 18.003 7.085 ( -0.864 0.000 -2.471) 2.617 7.230 ( 6.822 0.000 -10.947) 12.899 7.545 ( 1.768 0.000 -9.698) 9.858 7.707 ( -1.925 0.000 -7.055) 7.313 7.752 ( -5.189 0.000 4.956) 7.175 7.756 ( -0.800 0.000 -5.778) 5.834 8.357 ( -7.215 0.000 21.161) 22.358 8.471 ( 1.099 0.000 7.587) 7.666 8.588 ( -13.449 0.000 10.891) 17.306 9.007 ( -7.517 0.000 3.320) 8.218 9.022 ( -3.477 0.000 2.448) 4.252 9.159 ( -2.613 0.000 5.062) 5.697 9.202 ( -0.039 0.000 -1.078) 1.079 9.235 ( -0.494 0.000 4.566) 4.593 9.543 ( -4.066 0.000 2.901) 4.995 9.761 ( 0.888 0.000 -17.442) 17.465 9.814 ( 9.958 0.000 -14.022) 17.198 10.217 ( -2.352 0.000 -12.311) 12.534 10.243 ( 10.405 0.000 -8.101) 13.187 10.814 ( -10.011 0.000 30.244) 31.858 11.123 ( -10.292 0.000 9.339) 13.898 11.252 ( -11.591 0.000 19.532) 22.712 11.300 ( 3.678 0.000 7.958) 8.766 11.592 ( -14.078 0.000 9.780) 17.142 11.921 ( 1.422 0.000 -7.235) 7.373 11.996 ( -20.694 0.000 21.838) 30.086 12.227 ( -0.575 0.000 -1.364) 1.480 12.250 ( -10.702 0.000 3.886) 11.385 12.420 ( 4.698 0.000 4.360) 6.410 12.660 ( 11.776 0.000 -1.040) 11.822 12.729 ( 12.070 0.000 0.772) 12.094 12.820 ( 5.195 0.000 0.758) 5.250 12.999 ( -3.843 0.000 13.201) 13.749 13.052 ( -0.577 0.000 10.872) 10.888 13.935 ( 20.751 0.000 2.280) 20.876 14.474 ( 16.284 0.000 -42.825) 45.816 14.654 ( 15.341 0.000 -31.783) 35.292 14.966 ( 7.448 0.000 -30.276) 31.178 15.658 ( 0.812 0.000 -8.929) 8.966 17.330 ( -12.337 0.000 15.739) 19.998 17.535 ( -4.179 0.000 19.766) 20.203 17.595 ( 0.618 0.000 4.619) 4.660 18.002 ( -6.330 0.000 11.254) 12.912 19.044 ( 0.755 0.000 1.009) 1.260 19.112 ( -0.184 0.000 -0.127) 0.223 19.479 ( 2.116 0.000 6.976) 7.290 19.572 ( 1.340 0.000 -1.470) 1.989 19.579 ( 3.103 0.000 0.154) 3.107 20.327 ( -8.447 0.000 18.562) 20.393 20.535 ( -29.128 0.000 -24.104) 37.809 21.617 ( 20.077 0.000 -24.119) 31.382 ======================= Grid point 108 (52/108) ======================= q-point: ( 0.30 0.00 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 6.800 0.000 -0.495) 6.818 2.181 ( 2.712 0.000 -3.477) 4.410 2.363 ( 6.595 0.000 6.210) 9.058 2.531 ( -1.316 0.000 -1.154) 1.751 2.776 ( 0.710 0.000 -8.600) 8.629 2.892 ( -4.638 0.000 1.204) 4.792 2.960 ( -7.042 0.000 25.786) 26.730 3.076 ( -0.904 0.000 -6.123) 6.189 3.169 ( -6.330 0.000 -10.998) 12.690 3.379 ( 8.121 0.000 2.782) 8.585 3.474 ( -1.081 0.000 17.688) 17.721 3.661 ( 8.887 0.000 10.617) 13.845 3.751 ( 15.596 0.000 -15.065) 21.684 3.860 ( 2.277 0.000 4.543) 5.082 3.919 ( -2.758 0.000 18.127) 18.336 4.485 ( -1.157 0.000 12.924) 12.976 4.578 ( 5.697 0.000 -0.032) 5.697 4.685 ( 3.076 0.000 0.383) 3.100 4.745 ( -16.959 0.000 12.148) 20.861 4.851 ( -10.714 0.000 5.320) 11.962 4.983 ( -3.752 0.000 -3.457) 5.101 5.065 ( 14.088 0.000 12.789) 19.027 5.518 ( 4.902 0.000 -1.745) 5.204 5.596 ( -0.126 0.000 7.488) 7.489 5.642 ( 3.314 0.000 -10.116) 10.645 5.925 ( 9.906 0.000 -10.080) 14.133 6.238 ( -6.254 0.000 -4.052) 7.452 6.274 ( 1.372 0.000 1.540) 2.063 6.560 ( -1.581 0.000 4.494) 4.764 6.564 ( 6.880 0.000 -19.196) 20.391 6.607 ( -1.031 0.000 -6.737) 6.815 6.816 ( -2.720 0.000 -2.148) 3.466 6.950 ( -5.596 0.000 10.743) 12.113 7.055 ( -1.372 0.000 0.552) 1.479 7.286 ( 6.458 0.000 -9.523) 11.506 7.463 ( -6.991 0.000 -3.672) 7.897 7.547 ( -5.137 0.000 -8.573) 9.994 7.594 ( -5.140 0.000 -5.402) 7.457 7.813 ( 4.717 0.000 -0.141) 4.719 8.351 ( -8.231 0.000 18.225) 19.997 8.413 ( -12.058 0.000 12.750) 17.549 8.555 ( 0.671 0.000 -0.436) 0.801 8.883 ( -7.321 0.000 4.209) 8.445 8.979 ( -3.537 0.000 3.448) 4.940 9.111 ( -5.733 0.000 4.983) 7.596 9.210 ( 1.473 0.000 -2.375) 2.795 9.247 ( -0.785 0.000 2.114) 2.255 9.467 ( -4.745 0.000 2.051) 5.170 9.683 ( 3.839 0.000 -19.269) 19.648 9.949 ( 12.499 0.000 -10.179) 16.119 10.097 ( -1.092 0.000 -12.904) 12.950 10.373 ( 7.244 0.000 -4.986) 8.794 10.841 ( -8.889 0.000 27.668) 29.061 10.925 ( -11.558 0.000 9.245) 14.801 11.104 ( -21.234 0.000 32.591) 38.898 11.403 ( -14.360 0.000 20.495) 25.025 11.536 ( 9.036 0.000 11.882) 14.928 11.907 ( -1.001 0.000 8.189) 8.250 11.910 ( 1.248 0.000 -3.535) 3.749 12.127 ( -3.084 0.000 0.724) 3.167 12.200 ( -1.020 0.000 -1.718) 1.998 12.485 ( -1.740 0.000 4.454) 4.782 12.837 ( 9.206 0.000 -7.770) 12.046 12.837 ( -3.279 0.000 9.593) 10.138 13.011 ( 10.589 0.000 7.460) 12.954 13.094 ( 1.260 0.000 11.576) 11.644 13.168 ( 8.531 0.000 3.850) 9.359 14.283 ( 17.544 0.000 -12.239) 21.391 14.509 ( 16.432 0.000 -33.195) 37.039 14.750 ( 16.704 0.000 -30.469) 34.747 14.918 ( 9.156 0.000 -31.535) 32.838 15.445 ( -10.375 0.000 -20.852) 23.291 17.241 ( -8.942 0.000 17.349) 19.518 17.585 ( -4.630 0.000 17.975) 18.561 17.662 ( 0.954 0.000 7.162) 7.225 17.912 ( -8.008 0.000 6.729) 10.459 19.082 ( 2.475 0.000 0.898) 2.633 19.113 ( 0.498 0.000 0.382) 0.628 19.563 ( -0.459 0.000 1.381) 1.455 19.622 ( 1.878 0.000 -1.265) 2.264 19.721 ( 11.140 0.000 13.293) 17.344 19.861 ( -24.860 0.000 -16.381) 29.772 20.203 ( -15.945 0.000 13.459) 20.866 21.738 ( 10.493 0.000 -20.627) 23.143 ======================= Grid point 109 (53/108) ======================= q-point: ( 0.40 0.00 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 7.538 0.000 2.494) 7.940 2.260 ( 5.330 0.000 0.977) 5.419 2.442 ( -4.241 0.000 3.604) 5.566 2.481 ( 3.287 0.000 0.704) 3.362 2.646 ( -7.139 0.000 -2.226) 7.478 2.723 ( -2.401 0.000 -8.590) 8.919 2.973 ( -6.976 0.000 7.459) 10.213 2.997 ( -4.219 0.000 -5.935) 7.282 3.214 ( 1.459 0.000 22.688) 22.734 3.320 ( -8.559 0.000 1.897) 8.767 3.729 ( 2.214 0.000 -9.740) 9.989 3.770 ( 12.924 0.000 19.569) 23.452 3.919 ( -1.235 0.000 4.841) 4.996 4.046 ( 5.651 0.000 12.060) 13.319 4.097 ( 17.604 0.000 8.904) 19.728 4.446 ( -21.737 0.000 10.893) 24.314 4.532 ( -2.780 0.000 7.290) 7.802 4.618 ( -1.522 0.000 -2.765) 3.157 4.652 ( -11.583 0.000 3.500) 12.100 4.709 ( -1.034 0.000 -3.434) 3.586 5.032 ( 8.641 0.000 7.004) 11.123 5.365 ( 7.730 0.000 9.781) 12.467 5.517 ( 5.605 0.000 -21.116) 21.848 5.688 ( 5.922 0.000 1.845) 6.203 5.688 ( -2.194 0.000 5.935) 6.328 5.994 ( 0.782 0.000 -5.506) 5.561 6.116 ( -0.653 0.000 -2.819) 2.894 6.280 ( -1.224 0.000 1.879) 2.242 6.515 ( -4.440 0.000 -3.527) 5.670 6.555 ( 0.106 0.000 -3.883) 3.884 6.582 ( 8.696 0.000 -21.409) 23.108 6.796 ( 1.380 0.000 2.345) 2.721 6.929 ( -3.380 0.000 7.491) 8.218 7.037 ( -2.014 0.000 1.851) 2.735 7.267 ( -6.690 0.000 -0.746) 6.731 7.362 ( 3.509 0.000 -5.025) 6.129 7.443 ( -0.738 0.000 -3.762) 3.834 7.531 ( 3.421 0.000 -12.694) 13.147 7.903 ( 5.039 0.000 -0.545) 5.068 8.292 ( -8.391 0.000 17.413) 19.330 8.339 ( -8.391 0.000 16.512) 18.522 8.428 ( -9.477 0.000 -10.899) 14.443 8.813 ( -3.552 0.000 5.918) 6.902 8.908 ( -4.849 0.000 -1.423) 5.054 9.050 ( -4.951 0.000 7.910) 9.331 9.229 ( 3.207 0.000 -4.432) 5.471 9.234 ( -1.469 0.000 0.924) 1.735 9.426 ( -0.846 0.000 2.342) 2.490 9.636 ( 4.632 0.000 -18.029) 18.615 10.005 ( 0.170 0.000 -11.571) 11.573 10.057 ( 4.728 0.000 -11.998) 12.896 10.403 ( 0.162 0.000 -9.321) 9.322 10.839 ( -9.680 0.000 26.173) 27.906 10.911 ( 1.348 0.000 17.160) 17.213 10.991 ( -16.770 0.000 40.653) 43.976 11.354 ( -6.807 0.000 24.551) 25.477 11.744 ( 4.478 0.000 10.254) 11.189 11.914 ( 0.412 0.000 -0.456) 0.614 12.016 ( 6.194 0.000 4.344) 7.566 12.116 ( -0.640 0.000 3.615) 3.671 12.169 ( -1.419 0.000 -0.610) 1.544 12.465 ( -2.542 0.000 5.615) 6.163 12.840 ( -3.385 0.000 12.780) 13.220 12.893 ( 4.584 0.000 -11.376) 12.265 13.164 ( -1.864 0.000 11.785) 11.931 13.271 ( 8.946 0.000 12.257) 15.174 13.317 ( 4.176 0.000 -0.126) 4.177 14.386 ( 14.271 0.000 -37.363) 39.996 14.619 ( 7.875 0.000 -15.614) 17.488 14.835 ( 12.305 0.000 -30.650) 33.028 14.879 ( 11.191 0.000 -31.789) 33.701 15.084 ( -6.668 0.000 -32.010) 32.698 17.222 ( -6.403 0.000 18.312) 19.399 17.603 ( -5.949 0.000 16.714) 17.741 17.689 ( -3.387 0.000 7.353) 8.096 17.842 ( -3.574 0.000 5.099) 6.227 19.136 ( 0.864 0.000 1.147) 1.436 19.140 ( 3.186 0.000 -0.130) 3.189 19.441 ( -7.076 0.000 -7.222) 10.111 19.550 ( -1.824 0.000 1.748) 2.526 19.630 ( -0.228 0.000 -1.571) 1.587 19.940 ( -18.239 0.000 6.860) 19.486 20.058 ( 9.498 0.000 20.402) 22.505 21.769 ( 7.453 0.000 -18.572) 20.012 ======================= Grid point 110 (54/108) ======================= q-point: (-0.50 0.00 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 4.755 0.000 2.927) 5.583 2.389 ( 8.760 0.000 5.496) 10.342 2.422 ( -3.498 0.000 4.386) 5.610 2.521 ( 0.838 0.000 -0.694) 1.088 2.644 ( 2.413 0.000 -7.857) 8.219 2.649 ( 5.962 0.000 3.274) 6.801 2.868 ( -11.964 0.000 12.230) 17.109 2.912 ( -1.258 0.000 -2.606) 2.894 3.169 ( -8.583 0.000 3.419) 9.239 3.329 ( -0.518 0.000 8.129) 8.146 3.656 ( -6.396 0.000 1.185) 6.505 3.835 ( -10.560 0.000 0.865) 10.595 4.112 ( 5.530 0.000 14.480) 15.500 4.116 ( -15.391 0.000 2.191) 15.546 4.280 ( 8.911 0.000 9.572) 13.078 4.418 ( 4.533 0.000 0.163) 4.535 4.461 ( -0.441 0.000 -0.363) 0.571 4.553 ( 1.547 0.000 20.662) 20.720 4.566 ( -2.089 0.000 3.424) 4.011 4.720 ( 2.079 0.000 1.006) 2.310 5.203 ( 0.614 0.000 10.995) 11.012 5.424 ( -11.592 0.000 1.986) 11.761 5.504 ( 5.061 0.000 -16.646) 17.398 5.583 ( -3.672 0.000 4.961) 6.172 5.789 ( 2.430 0.000 3.281) 4.083 5.991 ( 5.672 0.000 -8.257) 10.017 6.154 ( 4.996 0.000 -0.722) 5.048 6.267 ( -2.290 0.000 0.357) 2.318 6.385 ( -5.335 0.000 -6.764) 8.615 6.534 ( 1.581 0.000 -6.777) 6.959 6.600 ( 8.328 0.000 -18.464) 20.256 6.874 ( 3.647 0.000 0.314) 3.661 6.909 ( -2.506 0.000 1.650) 3.000 7.006 ( -4.126 0.000 9.089) 9.982 7.185 ( -0.794 0.000 0.222) 0.824 7.374 ( 2.078 0.000 -10.194) 10.404 7.464 ( 4.279 0.000 -2.193) 4.808 7.536 ( 5.642 0.000 -11.523) 12.830 7.985 ( 4.726 0.000 -4.155) 6.293 8.112 ( -13.824 0.000 -12.000) 18.306 8.284 ( -8.401 0.000 21.058) 22.672 8.335 ( -2.475 0.000 20.319) 20.469 8.811 ( -2.988 0.000 -3.457) 4.569 8.833 ( 0.623 0.000 7.557) 7.583 9.019 ( -3.771 0.000 6.355) 7.390 9.213 ( -1.830 0.000 2.574) 3.158 9.265 ( 3.144 0.000 -3.861) 4.979 9.463 ( 1.799 0.000 4.374) 4.730 9.616 ( 5.423 0.000 -15.477) 16.399 9.949 ( 2.015 0.000 -10.844) 11.029 9.978 ( -1.198 0.000 -15.750) 15.795 10.280 ( -2.178 0.000 -16.050) 16.197 10.856 ( -10.611 0.000 31.581) 33.316 11.021 ( -9.494 0.000 42.964) 44.001 11.142 ( 7.459 0.000 19.456) 20.837 11.456 ( 0.487 0.000 19.752) 19.758 11.829 ( -3.061 0.000 10.001) 10.459 11.915 ( 0.433 0.000 -1.078) 1.162 12.066 ( -2.385 0.000 -0.900) 2.549 12.148 ( 0.110 0.000 -0.044) 0.119 12.176 ( -0.088 0.000 12.880) 12.880 12.522 ( 3.718 0.000 9.339) 10.052 12.874 ( 1.693 0.000 -11.679) 11.802 12.883 ( -2.128 0.000 12.072) 12.258 13.173 ( -4.383 0.000 7.334) 8.544 13.321 ( -4.709 0.000 5.481) 7.226 13.490 ( 4.352 0.000 15.049) 15.666 14.368 ( 9.858 0.000 -36.737) 38.037 14.494 ( -4.140 0.000 -25.080) 25.419 14.770 ( 6.633 0.000 -33.745) 34.391 14.821 ( 3.027 0.000 -36.920) 37.044 14.924 ( 13.418 0.000 -29.864) 32.740 17.241 ( -5.170 0.000 19.178) 19.862 17.592 ( -7.025 0.000 16.127) 17.590 17.668 ( -3.104 0.000 6.331) 7.051 17.819 ( -3.291 0.000 5.612) 6.506 19.135 ( -0.826 0.000 0.494) 0.962 19.188 ( 2.011 0.000 -1.089) 2.287 19.468 ( 1.334 0.000 1.483) 1.995 19.533 ( -11.474 0.000 0.146) 11.475 19.610 ( 15.548 0.000 3.128) 15.859 19.716 ( -4.736 0.000 -0.762) 4.797 20.324 ( 3.401 0.000 21.497) 21.764 21.771 ( 6.438 0.000 -19.660) 20.687 ======================= Grid point 111 (55/108) ======================= q-point: (-0.40 0.00 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -10.683 0.000 2.070) 10.882 2.430 ( -0.121 0.000 2.601) 2.603 2.467 ( -6.781 0.000 -6.020) 9.068 2.590 ( 6.978 0.000 6.485) 9.526 2.636 ( -21.407 0.000 17.445) 27.615 2.651 ( 2.423 0.000 -1.951) 3.111 2.867 ( 11.905 0.000 -3.113) 12.305 2.933 ( -2.343 0.000 0.216) 2.353 3.138 ( 9.071 0.000 -0.191) 9.073 3.303 ( -1.992 0.000 -4.385) 4.816 3.550 ( -10.743 0.000 17.937) 20.908 3.552 ( -16.861 0.000 -3.824) 17.289 3.914 ( -7.659 0.000 3.236) 8.315 4.056 ( -9.100 0.000 1.785) 9.273 4.318 ( -4.883 0.000 4.322) 6.520 4.529 ( -1.581 0.000 11.258) 11.368 4.571 ( 10.003 0.000 1.482) 10.112 4.691 ( 6.814 0.000 3.640) 7.726 4.827 ( 8.878 0.000 9.586) 13.066 4.847 ( 9.518 0.000 16.646) 19.175 5.026 ( -26.603 0.000 5.860) 27.241 5.243 ( -2.576 0.000 13.192) 13.441 5.519 ( 1.813 0.000 -1.241) 2.197 5.616 ( 5.949 0.000 -10.132) 11.749 5.817 ( -6.109 0.000 8.786) 10.701 6.002 ( 5.962 0.000 -17.600) 18.582 6.185 ( -4.156 0.000 -1.932) 4.584 6.242 ( -4.988 0.000 -5.103) 7.136 6.311 ( 9.974 0.000 0.672) 9.996 6.508 ( 1.624 0.000 -11.381) 11.496 6.643 ( 7.084 0.000 -16.916) 18.340 6.873 ( -1.438 0.000 0.827) 1.659 6.899 ( 4.012 0.000 -6.066) 7.273 7.024 ( -3.254 0.000 15.916) 16.245 7.232 ( 5.380 0.000 -8.282) 9.877 7.304 ( -1.340 0.000 -6.841) 6.971 7.551 ( 7.003 0.000 -3.976) 8.053 7.561 ( 3.768 0.000 -8.857) 9.625 7.840 ( -7.165 0.000 -5.165) 8.832 8.013 ( 2.181 0.000 -4.689) 5.171 8.282 ( -8.285 0.000 24.516) 25.878 8.499 ( 3.822 0.000 20.115) 20.475 8.757 ( -0.320 0.000 -3.546) 3.561 8.923 ( 2.795 0.000 8.014) 8.487 8.997 ( -1.998 0.000 3.659) 4.169 9.204 ( -2.065 0.000 5.525) 5.899 9.278 ( 0.318 0.000 -2.260) 2.282 9.515 ( 0.394 0.000 1.686) 1.732 9.634 ( 6.628 0.000 -12.344) 14.011 9.864 ( 1.044 0.000 -13.676) 13.716 9.935 ( 4.379 0.000 -10.808) 11.661 10.153 ( 1.853 0.000 -19.305) 19.394 10.848 ( -13.991 0.000 35.131) 37.815 11.219 ( 0.438 0.000 38.159) 38.162 11.388 ( 4.848 0.000 16.793) 17.479 11.594 ( 2.102 0.000 10.111) 10.327 11.768 ( -10.536 0.000 11.654) 15.710 11.921 ( 1.956 0.000 -3.573) 4.073 11.991 ( -5.453 0.000 4.561) 7.109 12.187 ( 3.800 0.000 -0.265) 3.809 12.256 ( -2.228 0.000 19.816) 19.941 12.677 ( 2.977 0.000 9.748) 10.193 12.786 ( -2.808 0.000 -8.808) 9.245 12.832 ( -8.539 0.000 -3.180) 9.112 13.144 ( -3.940 0.000 13.536) 14.098 13.256 ( -9.438 0.000 15.189) 17.883 13.633 ( -0.744 0.000 16.983) 16.999 14.109 ( -14.354 0.000 -16.330) 21.742 14.377 ( 15.162 0.000 -46.004) 48.438 14.655 ( 6.432 0.000 -34.628) 35.220 14.661 ( 8.119 0.000 -41.419) 42.207 14.968 ( 12.735 0.000 -29.035) 31.705 17.292 ( -3.325 0.000 20.231) 20.502 17.558 ( -8.291 0.000 16.380) 18.359 17.661 ( -1.990 0.000 4.521) 4.939 17.798 ( -3.326 0.000 7.527) 8.229 19.128 ( -0.325 0.000 0.314) 0.452 19.180 ( -3.074 0.000 0.962) 3.221 19.342 ( -4.301 0.000 -4.083) 5.930 19.450 ( -2.776 0.000 3.567) 4.520 19.670 ( -1.300 0.000 -1.678) 2.122 20.133 ( 32.020 0.000 3.583) 32.220 20.482 ( -0.344 0.000 19.639) 19.642 21.722 ( 3.657 0.000 -25.380) 25.642 ======================= Grid point 112 (56/108) ======================= q-point: (-0.30 0.00 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -15.653 0.000 3.156) 15.968 2.210 ( -26.417 0.000 3.355) 26.629 2.224 ( -12.215 0.000 -6.876) 14.017 2.418 ( -9.978 0.000 9.485) 13.766 2.609 ( -13.218 0.000 2.467) 13.446 2.705 ( 1.022 0.000 3.600) 3.743 2.841 ( -4.517 0.000 0.300) 4.526 2.947 ( -5.599 0.000 7.154) 9.084 3.159 ( -6.206 0.000 -9.901) 11.686 3.332 ( 5.281 0.000 3.392) 6.276 3.469 ( 13.042 0.000 0.215) 13.044 3.470 ( -8.992 0.000 11.200) 14.363 3.869 ( -2.677 0.000 10.686) 11.016 3.996 ( 1.718 0.000 4.876) 5.170 4.285 ( -1.365 0.000 3.709) 3.953 4.571 ( -2.761 0.000 11.043) 11.383 4.595 ( -14.118 0.000 0.602) 14.131 4.655 ( -7.845 0.000 1.823) 8.054 4.768 ( 2.050 0.000 0.497) 2.109 5.013 ( -0.878 0.000 7.041) 7.096 5.084 ( 5.643 0.000 6.510) 8.615 5.355 ( 4.689 0.000 12.961) 13.783 5.497 ( -7.291 0.000 10.543) 12.818 5.685 ( -12.291 0.000 13.909) 18.561 5.709 ( 15.721 0.000 -23.078) 27.924 6.001 ( 6.052 0.000 -18.520) 19.484 6.138 ( -1.105 0.000 2.445) 2.683 6.173 ( 1.134 0.000 -0.756) 1.363 6.453 ( 1.648 0.000 -11.131) 11.253 6.464 ( 6.740 0.000 -12.528) 14.226 6.598 ( 2.124 0.000 -4.817) 5.265 6.873 ( 0.201 0.000 2.185) 2.194 7.053 ( 17.711 0.000 -14.338) 22.787 7.089 ( -2.849 0.000 19.420) 19.628 7.157 ( -1.675 0.000 -10.332) 10.467 7.323 ( 1.391 0.000 -0.964) 1.692 7.557 ( 2.021 0.000 -8.220) 8.465 7.665 ( 7.993 0.000 -4.548) 9.197 7.770 ( 1.321 0.000 -1.402) 1.927 8.039 ( 3.567 0.000 -2.951) 4.630 8.289 ( -8.579 0.000 23.313) 24.842 8.685 ( -1.743 0.000 21.253) 21.325 8.748 ( 1.637 0.000 -2.915) 3.344 8.999 ( 0.427 0.000 1.696) 1.749 9.024 ( 4.092 0.000 4.366) 5.984 9.209 ( -2.456 0.000 8.277) 8.633 9.273 ( 1.932 0.000 -1.369) 2.368 9.491 ( -0.938 0.000 -4.603) 4.697 9.696 ( 8.056 0.000 -10.692) 13.387 9.840 ( 2.390 0.000 -5.671) 6.154 9.964 ( 5.940 0.000 -10.051) 11.675 10.092 ( 5.729 0.000 -19.313) 20.145 10.824 ( -13.264 0.000 34.384) 36.854 11.495 ( 5.055 0.000 22.044) 22.617 11.540 ( 0.485 0.000 12.621) 12.630 11.610 ( -6.356 0.000 4.318) 7.684 11.615 ( -13.515 0.000 11.150) 17.521 11.952 ( 4.756 0.000 -4.589) 6.609 12.003 ( 2.725 0.000 9.753) 10.126 12.263 ( 3.142 0.000 1.377) 3.430 12.348 ( -6.083 0.000 19.432) 20.362 12.512 ( -13.694 0.000 -5.874) 14.901 12.596 ( -8.997 0.000 -8.596) 12.443 12.912 ( 7.862 0.000 21.576) 22.963 13.162 ( -12.416 0.000 17.286) 21.283 13.194 ( -3.461 0.000 17.792) 18.126 13.692 ( -5.077 0.000 17.706) 18.420 13.713 ( -17.028 0.000 -12.216) 20.957 14.377 ( 17.682 0.000 -44.563) 47.943 14.564 ( 12.694 0.000 -44.962) 46.720 14.574 ( 10.006 0.000 -32.319) 33.832 15.026 ( 14.176 0.000 -25.575) 29.241 17.392 ( -1.478 0.000 19.592) 19.648 17.511 ( -8.134 0.000 19.118) 20.776 17.643 ( -2.638 0.000 3.364) 4.275 17.806 ( -1.960 0.000 8.844) 9.059 19.123 ( -0.374 0.000 -0.168) 0.410 19.153 ( -0.002 0.000 3.973) 3.973 19.301 ( 2.102 0.000 -4.888) 5.320 19.434 ( -1.617 0.000 4.367) 4.657 19.620 ( -3.178 0.000 -1.029) 3.340 20.461 ( -5.619 0.000 17.040) 17.943 20.869 ( 34.002 0.000 -0.945) 34.015 21.511 ( -5.736 0.000 -37.018) 37.460 ======================= Grid point 113 (57/108) ======================= q-point: (-0.20 0.00 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -32.285 0.000 6.401) 32.913 1.776 ( -21.252 0.000 12.453) 24.632 1.977 ( -9.069 0.000 -3.860) 9.856 2.233 ( -22.216 0.000 2.520) 22.359 2.272 ( -12.725 0.000 12.579) 17.893 2.685 ( -4.124 0.000 1.723) 4.469 2.749 ( -2.514 0.000 -5.433) 5.987 2.819 ( -18.608 0.000 24.540) 30.797 3.141 ( 3.960 0.000 3.303) 5.156 3.341 ( -5.222 0.000 0.261) 5.229 3.484 ( 4.406 0.000 3.720) 5.767 3.697 ( 11.539 0.000 -4.771) 12.486 3.904 ( -4.891 0.000 17.089) 17.775 4.136 ( 6.703 0.000 3.999) 7.805 4.290 ( -0.786 0.000 -7.302) 7.344 4.397 ( -7.180 0.000 3.442) 7.963 4.518 ( -5.530 0.000 5.062) 7.497 4.535 ( -7.601 0.000 4.511) 8.839 4.762 ( -4.186 0.000 1.152) 4.342 4.925 ( -6.204 0.000 2.972) 6.879 5.165 ( 3.262 0.000 -2.254) 3.965 5.435 ( -3.560 0.000 3.284) 4.843 5.465 ( -1.399 0.000 2.474) 2.843 5.675 ( 0.822 0.000 13.362) 13.388 5.803 ( 8.087 0.000 -19.350) 20.972 5.970 ( 1.926 0.000 -10.627) 10.801 6.151 ( -1.451 0.000 5.406) 5.597 6.275 ( 7.389 0.000 2.275) 7.731 6.410 ( 2.900 0.000 -15.673) 15.939 6.457 ( 6.843 0.000 -9.443) 11.661 6.729 ( 8.699 0.000 0.312) 8.705 6.911 ( 2.513 0.000 1.803) 3.093 7.074 ( -1.803 0.000 -4.242) 4.609 7.176 ( -3.787 0.000 24.507) 24.798 7.199 ( 2.663 0.000 -10.869) 11.190 7.359 ( 8.683 0.000 -10.212) 13.405 7.511 ( 0.049 0.000 -10.729) 10.729 7.784 ( 7.352 0.000 -2.756) 7.852 7.896 ( 13.140 0.000 1.219) 13.196 8.070 ( 1.188 0.000 -5.506) 5.633 8.282 ( -8.491 0.000 23.457) 24.946 8.628 ( -17.583 0.000 20.477) 26.990 8.778 ( 3.108 0.000 -1.447) 3.428 9.035 ( 2.457 0.000 0.367) 2.484 9.209 ( 12.627 0.000 1.281) 12.692 9.220 ( -3.029 0.000 9.544) 10.013 9.339 ( 4.740 0.000 -1.033) 4.852 9.449 ( -0.486 0.000 -3.051) 3.090 9.743 ( 1.148 0.000 -4.926) 5.058 9.886 ( 9.290 0.000 -9.350) 13.180 9.988 ( 4.198 0.000 -12.729) 13.404 10.134 ( 10.524 0.000 -11.814) 15.821 10.843 ( -8.339 0.000 33.552) 34.572 11.389 ( -18.054 0.000 11.885) 21.615 11.458 ( -12.571 0.000 8.060) 14.933 11.609 ( 0.106 0.000 4.808) 4.809 11.674 ( 4.585 0.000 5.192) 6.927 12.015 ( -22.043 0.000 -9.058) 23.831 12.048 ( 7.039 0.000 -0.679) 7.071 12.174 ( 6.241 0.000 5.459) 8.292 12.273 ( -3.056 0.000 0.153) 3.060 12.366 ( -11.998 0.000 12.303) 17.185 12.491 ( 3.355 0.000 -3.315) 4.717 13.013 ( -15.149 0.000 14.258) 20.803 13.229 ( -6.188 0.000 14.901) 16.135 13.270 ( 6.734 0.000 17.399) 18.657 13.335 ( -14.692 0.000 -5.148) 15.568 13.756 ( 1.746 0.000 20.147) 20.222 14.426 ( 18.066 0.000 -43.934) 47.504 14.549 ( 18.723 0.000 -41.294) 45.340 14.618 ( 15.532 0.000 -27.170) 31.296 15.255 ( 27.762 0.000 -7.220) 28.686 17.357 ( -12.599 0.000 14.138) 18.937 17.623 ( -1.954 0.000 4.684) 5.075 17.687 ( 9.992 0.000 27.384) 29.150 17.829 ( -1.916 0.000 7.904) 8.133 19.112 ( -0.411 0.000 -0.608) 0.734 19.178 ( -0.412 0.000 -1.078) 1.154 19.406 ( 9.528 0.000 6.683) 11.638 19.447 ( -0.132 0.000 4.014) 4.016 19.543 ( -4.131 0.000 0.521) 4.164 20.394 ( -12.671 0.000 15.729) 20.198 20.907 ( -30.026 0.000 -49.888) 58.227 21.431 ( 27.637 0.000 -10.151) 29.442 ======================= Grid point 114 (58/108) ======================= q-point: (-0.10 0.00 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -23.688 0.000 23.122) 33.102 1.503 ( -19.234 0.000 28.564) 34.437 1.857 ( -2.342 0.000 -0.188) 2.350 1.981 ( -5.638 0.000 5.669) 7.995 2.142 ( -9.433 0.000 11.260) 14.689 2.598 ( -5.602 0.000 -2.808) 6.266 2.655 ( -17.211 0.000 36.286) 40.161 2.716 ( 4.697 0.000 -9.231) 10.357 3.240 ( -4.465 0.000 -3.264) 5.531 3.264 ( 4.923 0.000 5.642) 7.488 3.574 ( 2.115 0.000 3.077) 3.734 3.815 ( 3.194 0.000 -4.193) 5.271 3.914 ( -5.041 0.000 14.544) 15.393 4.090 ( -13.674 0.000 1.588) 13.766 4.095 ( -10.091 0.000 -3.834) 10.795 4.358 ( -1.515 0.000 -0.473) 1.587 4.491 ( 3.984 0.000 0.571) 4.025 4.578 ( 4.223 0.000 9.028) 9.967 4.700 ( -3.073 0.000 3.843) 4.921 4.893 ( -0.573 0.000 1.211) 1.340 5.207 ( 2.868 0.000 -6.266) 6.891 5.356 ( -8.868 0.000 -1.405) 8.978 5.414 ( 0.281 0.000 -0.721) 0.774 5.746 ( 5.460 0.000 -15.399) 16.338 5.773 ( 3.567 0.000 -18.124) 18.472 5.969 ( -3.608 0.000 13.465) 13.940 6.141 ( -2.926 0.000 6.294) 6.941 6.386 ( 5.030 0.000 -15.167) 15.980 6.408 ( 5.680 0.000 -0.297) 5.688 6.564 ( 7.415 0.000 -2.767) 7.915 6.833 ( 1.572 0.000 -5.016) 5.257 6.989 ( 4.708 0.000 0.181) 4.711 7.035 ( 0.663 0.000 -1.478) 1.620 7.170 ( 3.301 0.000 -1.683) 3.705 7.252 ( -8.102 0.000 26.054) 27.284 7.334 ( -2.662 0.000 -13.750) 14.006 7.505 ( 6.805 0.000 -10.383) 12.414 7.876 ( 3.238 0.000 -4.928) 5.896 8.017 ( -2.695 0.000 0.964) 2.862 8.227 ( 18.649 0.000 0.015) 18.649 8.297 ( -6.532 0.000 25.148) 25.982 8.443 ( -13.386 0.000 18.164) 22.563 8.845 ( 4.282 0.000 0.861) 4.367 9.088 ( 2.794 0.000 0.056) 2.794 9.214 ( -3.912 0.000 7.826) 8.750 9.393 ( 3.316 0.000 -3.500) 4.821 9.402 ( 4.283 0.000 -2.894) 5.169 9.442 ( 0.111 0.000 3.085) 3.087 9.717 ( 2.431 0.000 -9.206) 9.522 9.975 ( 4.649 0.000 -12.866) 13.680 10.022 ( 9.625 0.000 -8.032) 12.536 10.290 ( 11.029 0.000 -6.318) 12.711 10.978 ( -4.270 0.000 35.856) 36.109 11.110 ( -18.595 0.000 10.483) 21.346 11.280 ( -13.210 0.000 11.321) 17.398 11.584 ( -10.719 0.000 -6.400) 12.484 11.627 ( -0.404 0.000 1.945) 1.987 11.776 ( 4.312 0.000 0.075) 4.313 12.107 ( -4.055 0.000 1.565) 4.347 12.157 ( -14.099 0.000 3.056) 14.426 12.276 ( 5.591 0.000 -0.431) 5.608 12.328 ( 4.819 0.000 5.634) 7.413 12.593 ( 3.356 0.000 -0.680) 3.424 12.805 ( -8.225 0.000 4.514) 9.382 13.056 ( -11.276 0.000 7.690) 13.649 13.252 ( -5.264 0.000 12.422) 13.492 13.268 ( -9.442 0.000 3.777) 10.169 13.894 ( 0.704 0.000 -3.209) 3.285 14.435 ( 16.592 0.000 -46.173) 49.064 14.694 ( 12.459 0.000 -31.218) 33.612 14.743 ( 26.184 0.000 -28.578) 38.760 15.909 ( 25.413 0.000 -4.032) 25.731 17.186 ( -13.036 0.000 15.781) 20.468 17.637 ( -0.906 0.000 6.468) 6.531 17.839 ( -2.071 0.000 6.962) 7.263 18.273 ( 28.460 0.000 15.983) 32.640 19.102 ( -0.145 0.000 -0.804) 0.817 19.148 ( 0.069 0.000 -1.563) 1.564 19.470 ( -1.657 0.000 3.057) 3.477 19.478 ( 0.773 0.000 2.722) 2.830 19.708 ( 0.903 0.000 6.517) 6.580 19.811 ( -31.871 0.000 -15.515) 35.447 20.204 ( -17.640 0.000 12.057) 21.367 21.716 ( 12.313 0.000 -18.524) 22.243 ======================= Grid point 115 (59/108) ======================= q-point: ( 0.00 0.20 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -5.174 14.212 25.442) 29.598 1.709 ( 6.356 11.711 20.257) 24.246 1.938 ( 4.116 3.857 2.433) 6.143 2.069 ( 1.565 3.342 7.119) 8.019 2.156 ( 2.001 5.990 7.654) 9.923 2.432 ( -3.028 -3.366 -5.900) 7.437 2.832 ( 3.547 5.503 -1.636) 6.748 2.958 ( 0.186 18.461 22.908) 29.422 3.150 ( -1.178 -2.938 3.515) 4.730 3.260 ( -3.836 -9.895 0.625) 10.631 3.487 ( 0.044 -3.275 -3.101) 4.510 3.595 ( -0.166 -10.149 7.794) 12.798 3.730 ( -5.913 -4.729 8.977) 11.744 3.999 ( -10.682 7.005 -1.496) 12.862 4.124 ( -6.226 -10.957 2.712) 12.891 4.269 ( 1.845 9.964 -0.430) 10.142 4.414 ( 1.343 -7.856 3.085) 8.546 4.690 ( 2.077 -0.227 -8.761) 9.007 4.771 ( -5.752 -0.668 7.066) 9.136 4.811 ( -3.514 -3.042 6.042) 7.623 5.108 ( -0.882 -4.144 -1.258) 4.420 5.235 ( -3.855 4.147 2.713) 6.278 5.338 ( -8.015 -10.796 5.097) 14.379 5.698 ( -3.980 -10.194 13.285) 17.212 5.789 ( 4.868 7.739 -20.046) 22.033 5.849 ( 9.413 7.091 -19.623) 22.890 6.289 ( -1.334 6.042 5.861) 8.522 6.406 ( 5.458 2.550 -15.853) 16.959 6.503 ( 3.253 0.950 -2.380) 4.141 6.760 ( 5.385 8.212 2.145) 10.052 6.821 ( -0.125 3.540 -2.958) 4.615 6.956 ( 0.708 -7.127 1.183) 7.259 7.008 ( 0.866 -4.547 0.098) 4.629 7.192 ( -0.010 -0.053 6.926) 6.926 7.243 ( -5.610 3.826 -3.546) 7.661 7.464 ( -0.460 11.324 -3.996) 12.017 7.553 ( 6.195 -0.410 -8.589) 10.598 7.856 ( -1.114 2.321 -7.039) 7.495 8.016 ( 1.619 2.474 -4.634) 5.497 8.337 ( -3.870 -7.275 15.983) 17.982 8.377 ( -7.818 0.284 18.898) 20.453 8.502 ( 8.580 -2.606 11.860) 14.868 8.957 ( 5.073 0.251 3.471) 6.152 9.065 ( 1.265 -4.654 2.225) 5.312 9.249 ( -2.627 3.467 2.148) 4.852 9.318 ( -4.694 0.386 -2.881) 5.521 9.355 ( -2.464 -1.737 -3.217) 4.409 9.504 ( -1.048 0.429 3.583) 3.758 9.718 ( 4.804 -0.136 -11.685) 12.635 9.946 ( 1.082 -7.990 -11.083) 13.705 10.042 ( 6.823 2.443 -10.364) 12.647 10.357 ( 8.155 -4.120 -8.145) 12.240 10.897 ( -14.192 2.557 23.105) 27.236 11.109 ( -18.869 9.632 13.559) 25.152 11.315 ( -2.138 7.916 16.867) 18.754 11.503 ( -4.400 -7.683 6.108) 10.756 11.732 ( 6.904 -0.338 2.990) 7.532 11.792 ( 4.526 -2.180 -0.161) 5.026 12.027 ( -2.395 3.996 -2.943) 5.510 12.070 ( -8.906 5.061 4.955) 11.379 12.317 ( 8.346 -3.343 0.760) 9.023 12.398 ( -6.656 -0.409 0.958) 6.737 12.449 ( -1.061 -2.384 -1.264) 2.900 12.870 ( -13.053 -8.707 12.241) 19.901 12.945 ( 8.467 -0.645 3.304) 9.112 13.085 ( -7.297 1.288 6.717) 10.001 13.261 ( -0.276 -0.200 10.693) 10.699 13.472 ( -21.745 -13.555 8.386) 26.961 14.487 ( 15.985 4.235 -41.530) 44.701 14.708 ( 10.288 3.428 -32.798) 34.544 15.010 ( 22.471 -9.897 -17.814) 30.335 15.323 ( -7.918 -19.439 -19.945) 28.954 17.233 ( -0.412 -0.007 19.173) 19.177 17.583 ( -12.693 -18.356 19.660) 29.742 17.653 ( -3.028 -0.509 6.593) 7.273 17.844 ( -0.284 -3.949 7.861) 8.802 19.138 ( 0.350 4.865 1.560) 5.121 19.400 ( -8.897 8.057 -3.265) 12.439 19.462 ( 1.626 -2.434 3.305) 4.415 19.500 ( -2.434 2.268 0.887) 3.443 19.932 ( -17.673 2.304 7.135) 19.198 20.029 ( 5.890 1.608 16.923) 17.990 20.710 ( 41.450 31.157 -23.588) 56.967 21.608 ( -3.960 -2.386 -25.659) 26.073 ======================= Grid point 116 (60/108) ======================= q-point: ( 0.10 0.20 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 9.881 -0.426 22.682) 24.744 2.025 ( 12.790 7.218 14.153) 20.396 2.072 ( 5.420 0.293 -1.281) 5.577 2.129 ( 9.714 0.324 2.860) 10.132 2.331 ( 0.718 -0.525 -3.053) 3.180 2.462 ( 10.309 3.634 20.428) 23.169 2.852 ( 3.899 -8.163 -17.003) 19.260 3.087 ( -8.454 -5.764 8.464) 13.279 3.156 ( 4.149 11.425 9.686) 15.543 3.242 ( 3.734 -4.238 1.418) 5.824 3.454 ( -1.644 0.083 3.434) 3.809 3.628 ( 0.706 0.650 1.436) 1.727 3.737 ( -2.348 -1.791 6.222) 6.887 3.853 ( -3.868 2.517 4.566) 6.492 4.088 ( -1.454 -7.506 5.816) 9.607 4.265 ( -5.068 10.099 5.631) 12.625 4.457 ( 1.340 -3.688 4.573) 6.026 4.636 ( -2.438 1.235 -5.430) 6.079 4.665 ( -3.483 -4.715 -1.821) 6.138 4.804 ( -3.175 -6.444 6.018) 9.371 5.108 ( -1.442 -5.743 5.000) 7.750 5.180 ( -4.222 -4.782 0.379) 6.390 5.239 ( -5.390 1.969 10.415) 11.891 5.708 ( -1.771 -4.987 4.895) 7.209 5.779 ( 6.547 9.125 -13.323) 17.425 5.895 ( 9.033 8.237 -19.872) 23.332 6.284 ( -1.887 8.320 2.691) 8.945 6.392 ( 2.894 2.738 -12.133) 12.770 6.538 ( 1.880 -0.016 -2.033) 2.769 6.792 ( -1.091 8.737 -1.577) 8.945 6.823 ( -2.164 9.918 3.802) 10.840 6.924 ( -4.960 -9.102 7.010) 12.514 7.023 ( 1.261 -1.335 -9.806) 9.976 7.107 ( -2.585 1.226 -3.722) 4.694 7.215 ( -0.321 1.646 -2.572) 3.070 7.525 ( 3.798 -0.595 3.158) 4.975 7.600 ( 4.453 -2.958 -4.683) 7.107 7.789 ( 0.706 6.072 -6.188) 8.698 7.950 ( -3.317 4.168 -10.082) 11.403 8.339 ( -5.363 -12.251 11.262) 17.483 8.374 ( -7.821 1.348 20.962) 22.414 8.660 ( -1.113 -3.324 10.487) 11.057 9.051 ( 0.294 -0.155 2.707) 2.727 9.082 ( -2.034 -2.051 0.897) 3.025 9.158 ( -3.785 0.652 -0.515) 3.876 9.219 ( -3.955 -0.021 0.050) 3.955 9.276 ( -3.719 1.197 2.870) 4.848 9.519 ( -1.872 -3.429 5.450) 6.706 9.743 ( 7.537 -0.705 -15.229) 17.006 9.850 ( -0.739 -4.098 -14.102) 14.704 10.138 ( 9.622 3.045 -7.905) 12.820 10.378 ( -0.933 1.792 -8.050) 8.300 10.854 ( -11.292 1.635 27.573) 29.840 10.937 ( -5.196 -2.411 12.731) 13.960 11.281 ( -12.962 -3.256 12.447) 18.263 11.498 ( -1.458 5.877 7.283) 9.472 11.633 ( -9.892 -14.879 6.187) 18.908 11.864 ( -10.411 -5.807 9.360) 15.157 12.012 ( 2.788 4.775 -5.829) 8.035 12.107 ( 10.274 2.468 6.162) 12.232 12.383 ( 2.458 -2.123 3.247) 4.592 12.413 ( -1.660 -3.963 -1.957) 4.721 12.533 ( 12.444 3.736 0.690) 13.011 12.686 ( -12.471 -9.065 10.247) 18.512 12.880 ( -13.635 4.251 4.096) 14.858 13.067 ( -4.179 1.233 6.109) 7.504 13.160 ( -10.017 9.998 13.352) 19.457 13.519 ( 16.801 -1.123 7.030) 18.247 14.501 ( 14.997 4.528 -40.088) 43.040 14.687 ( 12.280 5.676 -33.200) 35.851 15.028 ( 2.559 -6.346 -26.117) 26.999 15.370 ( 16.877 -12.201 -12.484) 24.281 17.346 ( -2.690 -3.193 16.802) 17.313 17.467 ( -11.737 -8.182 20.141) 24.705 17.625 ( -2.958 1.914 4.136) 5.433 17.903 ( -0.488 -5.495 9.226) 10.749 19.192 ( 1.448 11.833 4.795) 12.849 19.244 ( -2.455 9.584 -1.158) 9.961 19.505 ( 0.981 -0.605 2.149) 2.439 19.522 ( 0.286 -0.187 1.774) 1.806 19.642 ( -13.565 3.985 0.524) 14.148 20.207 ( -0.811 -5.464 19.776) 20.533 21.210 ( -10.655 1.897 -26.523) 28.646 21.265 ( 23.900 2.310 -25.709) 35.178 ======================= Grid point 117 (61/108) ======================= q-point: ( 0.20 0.20 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 8.491 -1.136 3.941) 9.430 2.170 ( 3.029 -2.014 -4.742) 5.977 2.213 ( 3.126 1.112 7.167) 7.898 2.396 ( 11.066 -1.339 5.109) 12.262 2.506 ( 16.809 -1.558 7.723) 18.564 2.743 ( -2.439 -12.228 -3.105) 12.850 2.831 ( 9.924 -5.250 24.779) 27.204 3.040 ( 2.194 -3.684 -3.649) 5.630 3.227 ( -0.212 3.760 -1.958) 4.244 3.312 ( 3.788 -2.863 -6.290) 7.881 3.475 ( -3.901 6.173 14.808) 16.510 3.667 ( 8.656 0.985 -11.391) 14.341 3.747 ( -0.905 8.548 7.163) 11.189 3.893 ( 1.277 2.321 7.026) 7.509 4.002 ( -11.620 11.186 4.074) 16.636 4.210 ( -5.307 -12.733 12.547) 18.647 4.500 ( 2.826 -0.311 -2.074) 3.519 4.620 ( -0.520 -2.693 -1.294) 3.033 4.725 ( -7.075 -12.623 -0.321) 14.474 4.739 ( 10.093 3.394 16.836) 19.921 5.074 ( -6.096 -3.137 3.623) 7.754 5.186 ( 1.755 -3.847 9.774) 10.649 5.226 ( -2.674 6.065 5.520) 8.626 5.692 ( 3.341 -0.374 -13.615) 14.024 5.806 ( -1.541 9.641 -0.397) 9.771 5.923 ( 7.723 7.159 -13.761) 17.328 6.275 ( -0.399 7.675 1.256) 7.787 6.365 ( 1.473 2.648 -6.621) 7.282 6.531 ( -0.972 -0.664 -2.857) 3.090 6.737 ( 0.268 7.369 -10.408) 12.756 6.768 ( -5.994 11.179 6.713) 14.352 6.893 ( -1.547 -2.081 -2.441) 3.561 6.939 ( -5.301 -2.146 4.384) 7.205 7.059 ( -1.268 -2.436 -3.292) 4.287 7.226 ( 5.172 -1.278 -7.932) 9.555 7.524 ( -1.097 -2.369 -5.864) 6.419 7.625 ( -2.035 -6.739 0.165) 7.042 7.782 ( -2.603 2.209 -5.602) 6.560 7.801 ( -3.567 4.398 -7.533) 9.424 8.285 ( -6.987 -9.598 17.317) 20.995 8.411 ( -2.993 -0.183 13.797) 14.119 8.602 ( -8.495 -1.896 5.937) 10.536 8.963 ( -7.162 -2.245 1.234) 7.606 9.060 ( -2.821 1.988 3.162) 4.681 9.124 ( -2.973 -2.759 -0.071) 4.056 9.173 ( -0.270 -2.051 0.912) 2.261 9.261 ( -2.732 1.909 6.651) 7.439 9.496 ( -3.772 -4.241 4.523) 7.257 9.756 ( 1.761 -0.785 -15.654) 15.772 9.796 ( 9.395 -1.666 -16.359) 18.939 10.256 ( -3.622 3.675 -10.991) 12.142 10.286 ( 9.766 3.948 -3.709) 11.168 10.818 ( -10.221 -0.003 24.987) 26.997 11.007 ( -5.804 -10.242 18.458) 21.892 11.089 ( -13.758 -4.540 15.512) 21.225 11.466 ( -8.132 -3.039 19.822) 21.639 11.538 ( -5.871 3.938 7.872) 10.580 11.826 ( -1.072 -2.940 9.429) 9.935 12.018 ( 1.738 6.694 -5.219) 8.664 12.223 ( -6.100 -0.338 -0.309) 6.118 12.354 ( 3.179 -1.476 4.574) 5.763 12.530 ( -9.229 5.528 8.929) 13.981 12.587 ( 12.648 -4.508 -1.814) 13.549 12.631 ( 2.871 -7.580 1.019) 8.169 12.873 ( 7.435 7.266 0.924) 10.437 13.059 ( 0.154 1.758 5.145) 5.440 13.143 ( -3.395 10.767 12.377) 16.752 13.885 ( 17.048 -5.206 2.705) 18.029 14.509 ( 14.670 4.844 -39.744) 42.641 14.729 ( 15.689 6.055 -32.349) 36.459 14.947 ( 8.346 -1.982 -29.870) 31.077 15.483 ( 3.409 -15.512 -13.763) 21.016 17.314 ( -9.658 -1.036 16.777) 19.386 17.480 ( -3.796 -4.566 19.156) 20.055 17.624 ( -0.202 2.487 4.716) 5.335 17.919 ( -4.393 -6.322 7.967) 11.079 19.169 ( -1.091 7.711 -0.413) 7.798 19.271 ( -5.844 15.383 4.733) 17.123 19.490 ( 3.829 1.054 7.045) 8.087 19.545 ( 1.034 -2.818 -0.521) 3.046 19.568 ( 1.758 0.089 -1.133) 2.094 20.253 ( -8.128 -6.957 17.977) 20.920 20.654 ( -22.753 10.658 -22.505) 33.731 21.512 ( 15.453 -9.859 -23.163) 29.539 ======================= Grid point 118 (62/108) ======================= q-point: ( 0.30 0.20 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 6.282 -0.740 -1.030) 6.409 2.159 ( 2.427 -2.343 -2.423) 4.154 2.362 ( 3.502 -1.728 9.619) 10.381 2.488 ( 3.166 0.688 -2.549) 4.123 2.714 ( 6.146 -0.807 0.017) 6.199 2.945 ( 2.785 -0.808 21.403) 21.598 2.997 ( 1.088 3.044 -6.870) 7.593 3.116 ( -1.625 0.051 -0.311) 1.655 3.147 ( -3.282 -3.270 2.494) 5.262 3.352 ( 8.268 -2.236 -2.994) 9.073 3.545 ( 1.470 6.978 13.184) 14.989 3.653 ( -8.061 4.318 3.245) 9.703 3.777 ( 8.321 2.456 -8.423) 12.093 3.933 ( 2.867 5.582 10.895) 12.573 3.992 ( 1.045 4.950 5.793) 7.691 4.263 ( 0.845 -15.688 16.471) 22.763 4.534 ( -5.930 -14.347 0.289) 15.527 4.611 ( 2.991 -1.332 -0.956) 3.411 4.630 ( 1.096 1.602 2.246) 2.969 4.921 ( -10.615 -0.592 3.672) 11.248 5.099 ( 11.555 2.238 13.716) 18.073 5.166 ( -6.556 11.476 7.700) 15.296 5.356 ( 6.920 -7.035 10.251) 14.229 5.641 ( 4.120 3.770 -20.591) 21.335 5.753 ( -2.264 4.710 0.038) 5.226 5.973 ( 3.536 1.589 -7.989) 8.880 6.254 ( -1.897 5.928 -0.940) 6.295 6.356 ( -0.460 4.601 -0.464) 4.647 6.497 ( 3.306 -1.811 -11.016) 11.643 6.667 ( -0.811 3.974 -9.433) 10.268 6.710 ( -2.411 10.435 -2.025) 10.900 6.839 ( -2.419 2.282 1.280) 3.563 6.899 ( -4.128 -4.146 8.657) 10.449 7.027 ( -0.889 -2.125 -0.156) 2.309 7.277 ( 5.872 -1.571 -8.874) 10.756 7.427 ( -8.208 -3.435 -0.811) 8.935 7.540 ( -7.479 -1.249 -10.002) 12.551 7.553 ( -2.400 -3.823 -6.812) 8.172 7.814 ( 3.388 1.218 -0.889) 3.709 8.305 ( -6.256 -5.185 18.974) 20.640 8.383 ( -9.395 -1.480 15.156) 17.893 8.512 ( -3.729 -5.079 -1.457) 6.468 8.843 ( -6.432 -2.226 2.896) 7.397 9.007 ( -4.923 -0.470 0.517) 4.973 9.082 ( -1.270 -1.593 1.509) 2.535 9.159 ( -1.498 -2.680 -0.093) 3.072 9.253 ( -2.231 1.277 5.621) 6.181 9.461 ( -2.748 -1.052 4.533) 5.404 9.694 ( 3.419 0.849 -17.406) 17.759 9.878 ( 10.101 -5.446 -14.287) 18.325 10.125 ( -1.626 2.842 -12.656) 13.073 10.397 ( 3.086 0.234 -5.449) 6.267 10.785 ( -9.017 -2.587 22.784) 24.640 10.940 ( -10.940 -3.403 23.426) 26.078 11.055 ( -9.820 1.999 30.328) 31.941 11.453 ( -9.734 5.614 14.687) 18.492 11.559 ( 2.642 -1.389 14.223) 14.532 11.916 ( 3.327 0.728 8.464) 9.124 12.005 ( 1.007 6.894 -6.046) 9.225 12.129 ( -1.336 2.520 0.170) 2.858 12.342 ( -3.997 9.010 -1.178) 9.927 12.482 ( -0.729 1.778 4.216) 4.634 12.765 ( 6.125 -5.970 3.781) 9.351 12.819 ( 8.678 -4.295 0.382) 9.691 12.978 ( 3.250 0.233 6.920) 7.649 13.170 ( 8.841 1.398 0.334) 8.957 13.176 ( -1.929 5.696 12.433) 13.811 14.164 ( 12.308 -13.645 -2.802) 18.589 14.503 ( 13.670 4.645 -41.000) 43.468 14.814 ( 14.969 3.867 -30.375) 34.083 14.921 ( 10.789 0.055 -30.477) 32.331 15.323 ( -5.836 -11.249 -22.810) 26.094 17.266 ( -7.733 2.347 17.284) 19.080 17.534 ( -3.911 -4.353 17.703) 18.645 17.668 ( 0.082 0.583 6.660) 6.685 17.861 ( -5.756 -4.259 5.588) 9.083 19.162 ( -0.114 6.048 0.835) 6.106 19.186 ( -2.673 6.919 0.543) 7.437 19.509 ( -2.592 -5.663 -3.459) 7.124 19.537 ( -2.265 -3.061 0.666) 3.866 19.774 ( 10.963 5.096 14.306) 18.730 20.099 ( -15.332 12.390 -4.233) 20.162 20.202 ( -13.755 5.200 4.216) 15.298 21.578 ( 8.166 -15.202 -19.512) 26.048 ======================= Grid point 119 (63/108) ======================= q-point: ( 0.40 0.20 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 6.572 -1.684 2.180) 7.126 2.236 ( 5.057 -2.069 1.577) 5.687 2.512 ( 5.957 5.051 6.976) 10.472 2.539 ( 2.162 5.257 -2.134) 6.072 2.734 ( -5.147 5.814 -1.800) 7.971 2.792 ( -8.182 7.554 -7.671) 13.522 2.963 ( -3.850 1.001 4.742) 6.190 3.061 ( -4.516 3.860 -2.910) 6.616 3.218 ( 2.509 0.549 16.118) 16.321 3.340 ( -7.087 2.029 -2.265) 7.712 3.671 ( 5.865 -3.227 9.835) 11.897 3.773 ( -1.013 -8.585 4.030) 9.537 3.809 ( 2.019 -0.224 8.845) 9.075 4.082 ( 11.264 -3.480 -3.118) 12.195 4.138 ( 6.141 5.874 13.890) 16.283 4.338 ( -3.834 -10.988 4.365) 12.429 4.417 ( -5.261 -4.302 5.861) 8.974 4.601 ( -5.218 1.920 4.549) 7.184 4.699 ( 0.288 4.561 3.591) 5.813 4.828 ( -1.322 1.812 6.264) 6.653 5.089 ( -1.797 7.447 5.380) 9.362 5.344 ( 3.611 -2.225 9.147) 10.083 5.543 ( 3.792 -5.045 4.407) 7.698 5.602 ( 6.167 4.626 -16.694) 18.388 5.696 ( -4.645 -2.987 3.914) 6.768 5.953 ( 3.719 -3.114 -11.194) 12.199 6.232 ( -0.325 9.061 -0.762) 9.099 6.345 ( -0.415 4.693 1.593) 4.974 6.473 ( 1.689 -2.695 -13.290) 13.665 6.598 ( 2.977 -0.342 -17.605) 17.858 6.633 ( -4.291 8.263 2.218) 9.571 6.835 ( -0.470 2.526 5.268) 5.861 6.893 ( -3.054 -2.924 7.960) 9.013 7.006 ( -2.022 -1.976 -0.627) 2.896 7.223 ( -7.763 -5.676 0.466) 9.628 7.322 ( 4.372 -0.808 -7.453) 8.678 7.459 ( 1.694 0.253 -4.924) 5.213 7.496 ( 3.051 -3.481 -12.444) 13.277 7.880 ( 3.667 -0.982 -0.656) 3.852 8.288 ( -7.847 -0.402 19.421) 20.950 8.314 ( -11.548 -2.240 15.051) 19.102 8.387 ( -5.130 -4.938 -4.872) 8.628 8.775 ( -3.352 -2.251 4.200) 5.826 8.900 ( -4.834 -1.948 -2.184) 5.651 9.078 ( -2.424 0.818 4.701) 5.352 9.139 ( 1.292 -5.161 -3.383) 6.305 9.257 ( -1.847 2.994 5.977) 6.935 9.460 ( -0.687 1.515 4.784) 5.065 9.646 ( 4.242 1.095 -17.519) 18.058 9.947 ( 6.112 -8.551 -14.580) 17.974 10.028 ( 0.373 2.372 -11.619) 11.865 10.341 ( -0.158 -5.190 -11.329) 12.462 10.838 ( -7.140 -0.487 32.437) 33.218 10.884 ( -13.280 -1.372 29.109) 32.024 11.118 ( -5.631 9.756 24.136) 26.635 11.414 ( -3.587 6.660 17.833) 19.371 11.711 ( 1.819 -4.355 13.113) 13.937 11.992 ( 1.026 7.691 -2.275) 8.085 12.015 ( -0.347 -6.777 8.467) 10.851 12.149 ( 2.213 5.976 0.339) 6.381 12.287 ( 0.677 12.799 -3.070) 13.179 12.526 ( 1.825 5.654 5.088) 7.823 12.833 ( -0.990 -2.321 5.051) 5.647 12.888 ( 1.845 0.919 -3.118) 3.737 13.142 ( 3.512 -4.194 13.421) 14.493 13.221 ( 0.763 1.284 6.195) 6.372 13.343 ( 5.998 -0.832 4.307) 7.431 14.293 ( 4.833 -22.746 -8.218) 24.663 14.469 ( 13.168 4.409 -42.329) 44.549 14.847 ( 11.036 1.003 -30.610) 32.555 14.936 ( 11.265 1.950 -29.785) 31.903 15.028 ( -3.696 -5.381 -32.319) 32.972 17.255 ( -6.217 3.216 17.890) 19.210 17.568 ( -4.894 -3.191 16.179) 17.201 17.690 ( -2.985 -0.221 7.214) 7.810 17.812 ( -3.083 -2.734 4.914) 6.413 19.166 ( 0.547 2.560 0.619) 2.690 19.182 ( 0.733 4.571 0.086) 4.630 19.418 ( -1.704 -1.459 -4.318) 4.866 19.474 ( -5.173 -5.461 1.473) 7.666 19.881 ( -3.082 19.370 -2.434) 19.764 19.999 ( -11.996 5.717 6.076) 14.612 20.075 ( 6.555 2.004 18.044) 19.302 21.586 ( 6.521 -17.395 -17.248) 25.350 ======================= Grid point 120 (64/108) ======================= q-point: (-0.50 0.20 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 1.885 -3.436 3.908) 5.535 2.338 ( 3.463 -2.068 3.085) 5.078 2.492 ( -2.632 3.725 4.438) 6.364 2.555 ( -0.844 3.009 -0.068) 3.126 2.635 ( -3.238 1.693 -2.969) 4.708 2.711 ( -0.994 1.696 -5.922) 6.239 2.925 ( -10.769 5.371 9.142) 15.113 3.026 ( 2.787 6.543 0.729) 7.149 3.224 ( 1.653 8.194 0.307) 8.365 3.335 ( -0.688 -0.256 4.033) 4.099 3.547 ( -15.860 -10.701 3.870) 19.520 3.786 ( -0.242 -1.429 3.947) 4.205 4.000 ( 2.666 -4.906 10.128) 11.565 4.184 ( -2.845 -6.071 7.261) 9.883 4.229 ( -3.650 1.979 -0.883) 4.244 4.293 ( 0.786 -10.044 12.052) 15.708 4.517 ( 10.113 8.721 8.755) 15.968 4.597 ( 0.017 2.660 0.053) 2.660 4.733 ( 0.513 4.266 6.967) 8.186 4.783 ( -5.048 10.579 7.587) 13.963 5.188 ( 4.003 -1.341 7.080) 8.243 5.310 ( -12.864 -7.766 5.148) 15.884 5.495 ( -2.163 -2.091 -0.987) 3.166 5.624 ( 5.741 5.734 -10.525) 13.289 5.774 ( 2.969 -2.901 6.583) 7.783 5.960 ( 5.031 -4.231 -14.460) 15.884 6.225 ( 0.648 8.735 2.793) 9.193 6.353 ( -0.529 4.506 -1.074) 4.663 6.383 ( -2.113 0.720 -9.131) 9.400 6.525 ( 1.299 -0.228 -10.908) 10.988 6.632 ( 5.369 3.166 -9.586) 11.434 6.872 ( -2.002 -2.423 0.622) 3.204 6.889 ( 2.036 -0.698 4.326) 4.831 6.955 ( -4.536 -4.545 8.675) 10.793 7.177 ( 2.032 -1.211 -2.606) 3.520 7.314 ( -0.979 -3.784 -8.098) 8.992 7.476 ( 4.226 -0.357 -6.392) 7.671 7.528 ( 7.865 -0.788 -8.672) 11.733 7.919 ( 1.077 -2.036 -3.313) 4.035 8.145 ( -7.096 0.172 -1.435) 7.242 8.301 ( -5.915 0.722 16.921) 17.940 8.327 ( -5.061 -0.366 17.728) 18.440 8.764 ( -0.590 -3.011 1.343) 3.349 8.828 ( -1.421 -0.510 0.667) 1.650 9.054 ( -2.756 1.197 3.609) 4.696 9.158 ( 2.675 -7.039 -3.022) 8.114 9.254 ( -2.520 4.265 5.468) 7.379 9.494 ( -0.355 0.796 6.767) 6.822 9.623 ( 5.765 1.069 -16.577) 17.583 9.891 ( 0.964 -5.398 -16.882) 17.751 9.988 ( 2.948 1.729 -11.223) 11.731 10.272 ( 0.786 -2.305 -13.531) 13.748 10.834 ( -11.179 -0.722 29.036) 31.122 10.957 ( -7.523 -4.267 39.172) 40.116 11.164 ( -5.200 2.650 24.116) 24.813 11.542 ( 3.425 7.806 12.584) 15.200 11.756 ( -6.302 -8.159 13.160) 16.717 11.977 ( -1.673 5.070 -0.198) 5.342 12.060 ( 0.537 -0.782 5.535) 5.615 12.183 ( 0.731 4.140 -0.429) 4.226 12.340 ( 4.494 12.403 3.096) 13.550 12.596 ( 1.326 6.686 6.282) 9.270 12.833 ( -2.561 -3.894 2.782) 5.428 12.893 ( 0.539 2.074 -0.751) 2.271 13.194 ( -4.201 2.325 10.311) 11.374 13.287 ( -1.989 -2.631 8.038) 8.688 13.457 ( 2.183 -3.484 9.302) 10.170 14.220 ( -4.395 -21.188 -12.848) 25.166 14.434 ( 13.483 4.495 -42.137) 44.470 14.775 ( 4.107 -3.197 -38.031) 38.386 14.829 ( 8.292 2.921 -31.705) 32.901 14.939 ( 10.724 0.440 -30.389) 32.228 17.274 ( -5.077 3.133 18.606) 19.539 17.563 ( -7.168 -2.801 15.622) 17.414 17.674 ( -2.955 0.449 6.319) 6.991 17.795 ( -2.917 -2.185 5.632) 6.708 19.182 ( 0.291 2.887 -0.158) 2.906 19.199 ( 1.336 2.464 -0.213) 2.810 19.356 ( -6.653 -6.320 1.609) 9.316 19.462 ( 5.798 -3.055 -1.468) 6.716 19.777 ( -9.928 10.286 4.170) 14.892 19.972 ( 10.640 21.230 -1.283) 23.782 20.285 ( 1.760 -3.596 19.229) 19.642 21.594 ( 6.783 -16.884 -17.824) 25.471 ======================= Grid point 121 (65/108) ======================= q-point: (-0.40 0.20 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -9.490 -5.517 4.775) 11.971 2.372 ( -3.561 -5.165 -1.573) 6.468 2.508 ( -2.405 2.369 -1.698) 3.779 2.597 ( 2.748 -0.518 -0.223) 2.805 2.613 ( 0.168 -3.522 11.139) 11.683 2.625 ( -1.294 -5.752 -1.012) 5.982 2.732 ( -12.900 5.196 7.613) 15.854 2.954 ( -8.398 0.127 0.859) 8.443 3.091 ( -15.555 -11.955 -7.420) 20.975 3.363 ( 5.474 2.716 -2.602) 6.641 3.527 ( 1.563 8.692 13.886) 16.457 3.772 ( -3.403 11.707 -0.479) 12.201 3.936 ( -6.072 2.394 8.660) 10.844 4.099 ( -6.851 2.321 7.028) 10.086 4.326 ( -2.923 -8.789 9.279) 13.111 4.416 ( 0.830 -0.412 8.133) 8.185 4.518 ( 5.478 -2.835 1.700) 6.399 4.751 ( 2.056 6.725 1.525) 7.196 4.816 ( 7.083 -1.068 8.119) 10.827 4.845 ( 1.598 -0.149 9.258) 9.396 5.018 ( -18.879 1.315 5.355) 19.668 5.292 ( 2.011 -2.296 3.432) 4.593 5.449 ( -5.745 -6.914 6.999) 11.392 5.683 ( 9.214 8.046 -13.689) 18.358 5.772 ( -8.156 -3.742 8.343) 12.252 5.973 ( 9.327 -1.657 -19.292) 21.492 6.266 ( -1.357 7.225 2.336) 7.714 6.275 ( -1.480 2.431 -5.244) 5.966 6.385 ( 5.142 5.965 0.638) 7.901 6.482 ( 1.292 -0.283 -11.121) 11.199 6.683 ( 4.453 2.254 -5.264) 7.254 6.885 ( 6.844 0.509 -6.564) 9.496 6.922 ( -0.213 1.250 -1.753) 2.163 6.962 ( -3.115 -5.047 12.952) 14.245 7.199 ( -1.685 -6.613 -10.981) 12.929 7.224 ( 3.885 -1.943 -3.499) 5.578 7.526 ( 5.548 0.621 -6.696) 8.718 7.637 ( 7.693 3.176 -4.325) 9.379 7.881 ( -1.228 4.322 -3.846) 5.915 8.076 ( 1.922 3.411 -7.358) 8.335 8.292 ( -7.894 1.064 22.602) 23.964 8.437 ( 0.447 -5.703 21.667) 22.409 8.755 ( 0.733 -0.231 -2.905) 3.005 8.861 ( 2.133 -2.790 4.121) 5.415 9.037 ( -1.079 1.382 3.055) 3.523 9.182 ( 1.268 -6.834 -1.833) 7.188 9.250 ( -1.672 3.592 5.818) 7.039 9.517 ( -2.019 -1.042 5.253) 5.723 9.641 ( 7.341 0.996 -14.465) 16.251 9.805 ( 2.219 -3.415 -14.621) 15.177 9.986 ( 5.019 2.836 -10.869) 12.303 10.173 ( -0.035 1.430 -15.908) 15.972 10.834 ( -11.838 -1.115 32.877) 34.961 11.101 ( -4.811 -9.280 37.884) 39.299 11.263 ( -1.026 -7.193 19.228) 20.556 11.603 ( -5.894 -2.860 9.174) 11.273 11.752 ( -1.351 0.521 13.644) 13.721 11.949 ( -0.279 3.356 -2.611) 4.261 12.062 ( -5.044 5.272 5.698) 9.258 12.180 ( 0.261 3.974 -0.988) 4.103 12.471 ( 3.553 9.706 11.543) 15.494 12.641 ( -3.084 -4.625 -0.362) 5.571 12.750 ( -3.829 -0.584 1.965) 4.343 12.892 ( -2.010 5.524 2.606) 6.431 13.193 ( -2.807 5.412 9.837) 11.573 13.249 ( -9.118 -0.668 14.968) 17.539 13.545 ( -0.868 -7.453 11.860) 14.034 13.989 ( -10.304 -11.040 -12.996) 19.923 14.409 ( 14.774 3.772 -42.395) 45.054 14.636 ( 9.483 -1.430 -41.581) 42.673 14.736 ( 6.006 5.068 -33.456) 34.367 14.952 ( 12.078 -1.548 -29.373) 31.797 17.311 ( -4.593 1.809 19.172) 19.797 17.518 ( -8.732 -3.502 16.136) 18.678 17.669 ( -2.021 0.832 4.824) 5.296 17.781 ( -2.969 -1.571 7.412) 8.138 19.170 ( -1.981 2.030 0.630) 2.905 19.212 ( 0.126 4.302 0.430) 4.325 19.272 ( -1.324 -3.093 -1.811) 3.821 19.539 ( 1.723 -1.104 0.126) 2.050 19.659 ( -4.600 6.898 2.446) 8.644 20.291 ( 14.406 8.120 5.788) 17.520 20.441 ( 9.569 1.020 12.155) 15.503 21.579 ( 5.402 -13.491 -22.575) 26.848 ======================= Grid point 122 (66/108) ======================= q-point: (-0.30 0.20 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -21.330 -6.688 5.571) 23.037 2.150 ( -13.841 -1.344 -4.170) 14.518 2.320 ( -14.815 3.024 -3.419) 15.502 2.478 ( -11.346 5.863 9.180) 15.729 2.593 ( -11.978 0.498 8.861) 14.908 2.709 ( -0.027 -0.312 4.473) 4.483 2.804 ( 9.332 -13.153 7.170) 17.649 2.805 ( -5.109 -2.669 -2.412) 6.248 2.918 ( 3.333 -13.079 1.076) 13.539 3.394 ( 0.408 -2.982 -2.256) 3.761 3.524 ( -6.789 4.738 1.529) 8.418 3.583 ( -16.724 13.463 10.787) 24.028 4.014 ( 0.991 7.758 8.253) 11.370 4.128 ( 4.827 10.836 6.675) 13.611 4.293 ( -1.369 -2.966 2.205) 3.941 4.415 ( -2.982 -3.077 9.093) 10.052 4.595 ( -13.791 -0.250 0.806) 13.817 4.715 ( 2.990 -4.513 1.409) 5.594 4.807 ( -5.377 8.550 4.786) 11.176 4.908 ( 0.467 -4.882 4.034) 6.351 5.026 ( 5.352 -4.487 6.853) 9.785 5.290 ( -3.494 -9.828 5.528) 11.805 5.414 ( -2.456 -6.266 8.291) 10.679 5.630 ( -9.535 -6.972 7.416) 13.947 5.786 ( 10.536 8.356 -17.690) 22.221 5.998 ( 6.761 0.959 -20.341) 21.456 6.252 ( -1.105 8.095 3.486) 8.883 6.298 ( 5.598 7.657 -0.838) 9.522 6.410 ( 0.830 -0.716 -7.646) 7.724 6.497 ( 3.221 3.582 -5.944) 7.651 6.700 ( 1.780 7.149 -0.801) 7.411 6.880 ( -0.500 1.347 0.634) 1.570 6.990 ( -1.319 -6.637 6.890) 9.657 7.059 ( 14.882 -1.391 -9.822) 17.886 7.149 ( 0.711 -1.985 -0.497) 2.166 7.265 ( 3.895 -2.530 -7.036) 8.430 7.573 ( 3.735 2.306 -7.840) 8.985 7.755 ( 7.949 6.264 -2.908) 10.531 7.848 ( 0.619 7.198 -3.569) 8.058 8.094 ( 4.497 3.138 -6.693) 8.653 8.304 ( -7.755 1.381 23.446) 24.734 8.571 ( -3.866 -10.157 20.774) 23.445 8.760 ( 1.650 1.124 -2.244) 3.004 8.940 ( 4.187 -2.949 1.111) 5.241 9.061 ( 1.841 0.941 3.020) 3.660 9.205 ( 2.549 -3.089 1.236) 4.191 9.269 ( -0.691 2.258 5.720) 6.188 9.486 ( -1.940 -1.113 -1.847) 2.901 9.698 ( 8.052 0.488 -11.812) 14.304 9.791 ( 3.517 -3.071 -7.294) 8.661 10.025 ( 5.240 4.287 -8.473) 10.845 10.086 ( 4.099 -0.268 -17.175) 17.660 10.834 ( -11.693 1.043 33.666) 35.654 11.265 ( -4.136 -16.830 21.675) 27.752 11.314 ( -3.814 -9.641 16.369) 19.376 11.602 ( -1.376 -9.415 18.127) 20.472 11.824 ( 0.990 7.549 5.780) 9.559 11.893 ( -6.742 6.875 1.169) 9.700 12.006 ( -2.216 -1.171 5.494) 6.039 12.186 ( -0.623 2.741 1.664) 3.266 12.449 ( -9.236 -3.802 -0.322) 9.993 12.593 ( -1.425 2.561 1.979) 3.537 12.686 ( -7.495 9.895 -1.605) 12.516 12.931 ( 2.280 2.287 16.538) 16.851 13.151 ( -10.813 -0.416 16.867) 20.039 13.235 ( -3.229 4.282 14.132) 15.116 13.577 ( -5.381 -9.296 10.875) 15.285 13.676 ( -13.294 -3.848 -8.413) 16.196 14.420 ( 16.633 3.684 -41.350) 44.722 14.555 ( 12.600 -0.378 -43.488) 45.278 14.646 ( 9.442 5.784 -32.267) 34.114 14.995 ( 13.131 -2.965 -26.353) 29.592 17.363 ( -4.104 -2.197 19.253) 19.807 17.463 ( -9.143 -3.848 17.867) 20.436 17.653 ( -2.587 1.068 3.847) 4.758 17.788 ( -2.184 -1.708 8.358) 8.806 19.154 ( 0.159 1.861 2.734) 3.311 19.231 ( 1.647 7.245 0.598) 7.454 19.252 ( 0.586 -2.245 -3.303) 4.036 19.551 ( -0.392 3.585 2.208) 4.229 19.621 ( -1.759 5.176 2.341) 5.947 20.383 ( -6.315 -7.665 16.331) 19.113 20.932 ( 31.370 5.972 -4.145) 32.202 21.448 ( -0.918 -5.863 -32.319) 32.859 ======================= Grid point 123 (67/108) ======================= q-point: (-0.20 0.20 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -23.183 0.903 14.439) 27.327 1.875 ( -14.930 4.649 3.458) 16.014 2.063 ( -9.495 4.961 -1.900) 10.881 2.243 ( -20.034 6.735 10.655) 23.670 2.394 ( -11.585 6.923 3.791) 14.018 2.667 ( -5.180 -2.238 -0.827) 5.703 2.751 ( 1.384 1.413 -2.479) 3.172 2.941 ( -3.963 5.058 15.965) 17.210 3.106 ( 4.577 -11.047 4.782) 12.878 3.334 ( -1.934 -2.529 7.803) 8.427 3.388 ( -6.618 -2.595 1.247) 7.218 3.453 ( -4.116 -2.325 8.091) 9.371 4.047 ( -2.588 -2.052 3.481) 4.798 4.191 ( -2.096 6.050 5.348) 8.343 4.255 ( -2.872 -6.956 -8.673) 11.482 4.376 ( -8.970 0.530 6.250) 10.946 4.495 ( 4.092 6.588 5.767) 9.664 4.675 ( -6.507 6.103 1.495) 9.045 4.791 ( -0.532 1.863 2.495) 3.159 4.869 ( -6.472 -3.169 4.471) 8.481 5.094 ( 2.540 -4.607 -0.926) 5.342 5.324 ( 0.010 -8.301 6.947) 10.824 5.431 ( -1.570 -5.373 3.401) 6.550 5.565 ( -4.161 -11.761 15.947) 20.247 5.837 ( 8.407 4.440 -21.029) 23.079 5.953 ( 3.039 3.880 -19.006) 19.635 6.261 ( -0.413 5.904 2.267) 6.338 6.400 ( 3.229 4.740 -2.579) 6.288 6.415 ( 4.069 4.677 -3.627) 7.182 6.462 ( 4.997 -0.354 -10.739) 11.850 6.787 ( 5.865 4.336 -1.013) 7.364 6.921 ( 1.748 0.843 3.320) 3.846 6.991 ( -1.747 -6.429 2.123) 6.992 7.150 ( -3.062 -3.043 7.092) 8.303 7.269 ( 11.364 4.082 -7.785) 14.367 7.328 ( 8.847 -1.104 -4.317) 9.906 7.544 ( 0.105 4.719 -10.136) 11.181 7.858 ( 3.735 5.699 -3.583) 7.698 7.914 ( 9.429 4.210 -1.150) 10.390 8.117 ( 1.944 1.718 -5.707) 6.269 8.319 ( -7.022 2.743 21.678) 22.952 8.531 ( -13.375 -7.640 19.440) 24.803 8.791 ( 3.090 1.257 -1.432) 3.630 8.998 ( 1.689 -3.926 -0.083) 4.275 9.193 ( 9.031 -1.113 1.910) 9.297 9.274 ( -0.112 4.024 6.711) 7.826 9.309 ( 3.572 -2.306 0.547) 4.287 9.455 ( 1.413 0.183 -3.361) 3.651 9.742 ( 1.372 0.343 -5.371) 5.554 9.835 ( 8.546 -3.239 -9.820) 13.415 10.022 ( 4.108 1.772 -13.236) 13.972 10.142 ( 8.647 0.082 -8.796) 12.335 10.883 ( -6.368 3.643 33.175) 33.976 11.167 ( -11.600 -8.539 12.635) 19.160 11.440 ( 0.634 -10.095 13.321) 16.726 11.656 ( -9.155 3.932 6.573) 11.936 11.824 ( -0.267 -10.655 3.098) 11.099 11.863 ( 3.379 8.293 0.816) 8.992 12.021 ( -5.423 1.022 5.131) 7.535 12.138 ( -4.430 -0.731 9.162) 10.203 12.335 ( -7.323 -0.130 4.917) 8.822 12.405 ( -7.136 5.410 -5.305) 10.408 12.595 ( -2.582 7.821 -1.172) 8.319 13.009 ( -11.888 -1.198 14.287) 18.624 13.148 ( -1.635 -5.711 17.202) 18.199 13.261 ( -5.597 -0.668 8.610) 10.291 13.309 ( -11.924 -2.478 -1.207) 12.239 13.631 ( -2.491 -10.813 16.108) 19.560 14.459 ( 16.497 2.652 -41.633) 44.860 14.539 ( 17.340 -0.309 -39.965) 43.566 14.675 ( 14.546 4.563 -28.423) 32.253 15.133 ( 18.508 -9.812 -14.906) 25.710 17.331 ( -11.793 -2.240 14.910) 19.141 17.497 ( -2.511 -11.105 24.064) 26.621 17.636 ( -2.069 1.268 4.791) 5.370 17.804 ( -1.998 -2.493 7.436) 8.093 19.183 ( -0.464 0.546 -0.304) 0.779 19.264 ( 3.853 -1.447 2.384) 4.756 19.316 ( 6.309 7.922 2.584) 10.452 19.530 ( -3.168 0.136 0.968) 3.315 19.662 ( 3.335 11.672 7.182) 14.104 20.330 ( -10.631 -6.134 14.943) 19.338 21.058 ( -13.618 12.241 -43.781) 47.456 21.430 ( 25.886 -0.287 -12.375) 28.694 ======================= Grid point 124 (68/108) ======================= q-point: (-0.10 0.20 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -9.810 16.604 19.031) 27.095 1.649 ( -15.457 11.677 18.898) 27.062 1.964 ( -3.780 11.239 1.494) 11.952 1.979 ( -7.613 0.833 6.289) 9.910 2.229 ( -8.800 6.727 4.561) 11.979 2.545 ( -5.168 -3.814 -4.216) 7.683 2.801 ( 5.166 6.477 -6.195) 10.345 2.868 ( -14.613 18.962 33.234) 40.958 3.159 ( -0.764 -10.533 4.761) 11.584 3.299 ( -2.181 3.817 -0.978) 4.504 3.456 ( -0.145 -12.417 10.121) 16.020 3.504 ( 6.288 -12.062 2.700) 13.868 3.887 ( -11.624 -5.432 -1.434) 12.911 4.182 ( -3.785 -4.155 0.202) 5.624 4.199 ( -0.391 -4.084 -0.428) 4.125 4.278 ( -6.158 4.467 3.800) 8.504 4.425 ( -7.467 5.713 0.171) 9.404 4.672 ( 4.531 1.850 -3.753) 6.167 4.781 ( -5.088 7.316 13.584) 16.247 4.835 ( -0.075 -6.081 -0.432) 6.097 5.128 ( 1.356 -5.610 -2.543) 6.307 5.312 ( -5.360 -2.458 3.767) 6.997 5.406 ( -1.961 -4.642 1.040) 5.146 5.648 ( -1.106 -15.933 16.442) 22.922 5.828 ( 6.960 5.651 -20.731) 22.586 5.865 ( 1.915 6.234 -19.236) 20.311 6.268 ( -1.025 5.085 4.820) 7.081 6.409 ( 4.049 2.034 -11.276) 12.152 6.453 ( 3.231 2.662 -1.659) 4.503 6.600 ( 10.434 2.750 -2.397) 11.053 6.862 ( 1.574 3.265 -3.995) 5.394 6.914 ( 1.132 -4.310 -3.721) 5.806 6.994 ( -1.127 -5.120 5.765) 7.792 7.148 ( -2.122 -0.796 8.875) 9.160 7.365 ( -2.518 2.207 -1.481) 3.661 7.449 ( 9.552 9.665 -11.098) 17.544 7.508 ( 3.838 4.633 -6.655) 8.971 7.893 ( 0.815 0.360 -3.745) 3.850 8.002 ( 1.781 0.871 -3.039) 3.629 8.222 ( 12.042 -1.664 3.364) 12.613 8.316 ( -8.704 1.583 23.365) 24.984 8.428 ( -9.508 -0.962 16.425) 19.003 8.856 ( 4.122 1.042 0.658) 4.303 9.027 ( 1.407 -5.238 0.941) 5.505 9.279 ( -2.567 4.674 3.823) 6.562 9.322 ( 3.060 -2.529 1.692) 4.316 9.375 ( 2.402 -2.518 -2.165) 4.098 9.497 ( 3.292 1.888 -2.347) 4.462 9.721 ( 1.481 0.432 -6.130) 6.322 9.933 ( 7.171 -5.195 -9.795) 13.205 10.018 ( 4.741 1.712 -11.842) 12.870 10.248 ( 8.864 -4.103 -8.724) 13.097 10.998 ( -10.679 1.193 26.719) 28.799 11.126 ( 0.719 7.603 21.959) 23.249 11.427 ( -13.863 5.647 9.135) 17.536 11.535 ( -4.294 -1.557 5.766) 7.356 11.627 ( -9.111 1.923 -5.158) 10.645 11.853 ( -2.183 2.773 -2.416) 4.276 12.097 ( 5.975 -3.722 1.890) 7.289 12.163 ( -9.554 -1.276 2.130) 9.871 12.192 ( -0.429 2.242 8.287) 8.595 12.383 ( 1.830 -0.593 3.547) 4.035 12.585 ( -1.341 0.064 -1.719) 2.181 12.827 ( -7.408 2.969 2.667) 8.414 13.014 ( -11.651 -5.283 9.104) 15.701 13.220 ( -8.393 -3.196 5.125) 10.341 13.242 ( -4.490 -1.570 13.471) 14.287 13.677 ( -5.049 -19.932 7.965) 22.051 14.470 ( 15.945 3.115 -42.536) 45.534 14.681 ( 19.800 -1.775 -30.462) 36.374 14.749 ( 16.294 1.269 -29.780) 33.970 15.434 ( 13.059 -32.562 -7.117) 35.798 17.201 ( -10.878 1.558 17.034) 20.271 17.609 ( -5.016 -22.315 23.999) 33.152 17.644 ( -1.284 0.703 5.952) 6.130 17.816 ( -1.687 -3.591 6.994) 8.041 19.151 ( -1.335 1.324 -1.252) 2.259 19.378 ( 3.820 -6.229 5.455) 9.119 19.461 ( -1.146 2.073 1.857) 3.010 19.548 ( 8.679 2.799 4.377) 10.115 19.815 ( 5.105 8.612 10.838) 14.754 20.179 ( -15.167 -1.612 11.396) 19.039 20.480 ( -5.790 49.618 -39.725) 63.824 21.686 ( 12.413 -3.130 -20.325) 24.021 ======================= Grid point 125 (69/108) ======================= q-point: ( 0.00 0.40 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -1.994 11.557 10.313) 15.618 1.829 ( 3.796 -1.188 4.982) 6.375 2.077 ( -3.212 13.796 7.591) 16.071 2.246 ( -3.044 7.938 -1.029) 8.564 2.288 ( -0.091 0.115 1.487) 1.495 2.389 ( 0.666 0.593 1.515) 1.758 2.746 ( -10.321 -4.987 12.497) 16.958 2.998 ( -0.798 -13.407 8.886) 16.104 3.161 ( -2.618 3.571 -8.336) 9.439 3.286 ( -1.433 -1.238 -2.962) 3.515 3.478 ( 6.917 4.587 9.307) 12.471 3.492 ( 6.356 0.543 4.614) 7.873 3.653 ( -6.093 4.767 7.285) 10.626 3.927 ( -4.232 -13.098 5.374) 14.777 4.111 ( -1.904 9.556 9.467) 13.586 4.342 ( 1.495 -3.587 2.583) 4.666 4.444 ( -7.286 8.116 3.495) 11.453 4.593 ( -4.782 -8.149 -2.373) 9.742 4.685 ( -0.048 1.064 -5.290) 5.396 4.823 ( -6.614 -4.761 5.965) 10.099 5.013 ( -8.423 -8.202 6.650) 13.507 5.017 ( -2.238 -6.666 7.444) 10.240 5.378 ( -1.476 8.250 5.787) 10.185 5.540 ( -0.658 -7.184 6.735) 9.869 5.966 ( 6.696 7.252 -18.748) 21.188 5.996 ( 9.673 4.628 -19.509) 22.262 6.376 ( 0.403 3.487 5.743) 6.731 6.449 ( 2.519 -1.573 -3.304) 4.443 6.525 ( 3.679 4.541 -5.848) 8.267 6.700 ( 2.835 -10.603 -2.514) 11.260 6.877 ( 3.847 3.043 -4.752) 6.829 6.929 ( 2.972 -2.083 -3.523) 5.058 7.069 ( 0.532 10.326 8.262) 13.236 7.178 ( 0.588 -1.479 8.131) 8.286 7.317 ( -3.034 4.491 -5.498) 7.720 7.451 ( 1.479 -6.488 -6.536) 9.327 7.739 ( -2.462 10.546 -7.145) 12.974 7.919 ( 4.339 -2.353 -2.036) 5.339 8.002 ( 0.680 2.949 -8.846) 9.350 8.199 ( 1.186 -9.190 -5.242) 10.646 8.377 ( -5.965 2.280 21.763) 22.681 8.439 ( -1.572 -2.504 18.867) 19.097 8.968 ( 3.715 0.968 3.295) 5.059 8.997 ( 2.902 -1.945 2.701) 4.416 9.266 ( -1.231 0.148 -3.263) 3.490 9.298 ( -1.655 -2.776 -3.123) 4.494 9.406 ( -5.192 5.587 4.452) 8.831 9.490 ( -3.459 -2.258 1.490) 4.391 9.726 ( 3.389 1.528 -10.171) 10.829 9.799 ( 1.961 -5.660 -9.624) 11.336 10.122 ( 8.195 5.185 -11.399) 14.966 10.243 ( 9.496 -6.308 -10.250) 15.330 11.021 ( -15.468 8.884 19.354) 26.320 11.206 ( -15.362 -5.717 11.059) 19.774 11.407 ( -16.844 4.755 7.240) 18.941 11.502 ( -6.661 4.377 10.067) 12.841 11.635 ( -8.092 -0.992 6.983) 10.734 11.785 ( -0.001 -5.596 10.980) 12.324 12.056 ( -2.002 0.725 4.273) 4.774 12.126 ( -3.367 -2.126 7.504) 8.495 12.240 ( 9.150 2.441 -0.378) 9.477 12.371 ( 4.002 -5.700 2.561) 7.421 12.496 ( -3.254 8.252 2.248) 9.151 12.672 ( -11.158 -9.248 8.587) 16.845 12.971 ( 2.717 3.713 3.401) 5.722 13.077 ( -7.140 -4.081 6.221) 10.312 13.245 ( -0.535 -1.257 11.607) 11.687 13.250 ( -1.292 -4.535 13.608) 14.401 14.602 ( 14.963 6.926 -33.464) 37.306 14.773 ( 16.816 -9.402 -25.812) 32.209 14.821 ( 11.307 6.413 -29.933) 32.633 15.014 ( 11.523 -11.646 -25.342) 30.177 17.258 ( -5.330 2.711 19.614) 20.505 17.348 ( -8.313 -6.569 20.954) 23.480 17.681 ( -1.526 2.672 5.123) 5.976 17.756 ( -0.631 -4.377 5.848) 7.332 19.253 ( 3.546 5.892 5.417) 8.754 19.368 ( 3.924 -5.260 5.576) 8.611 19.484 ( -1.674 2.446 1.136) 3.174 19.522 ( -2.647 -0.892 0.578) 2.853 19.990 ( -11.889 2.967 9.309) 15.389 20.034 ( -3.570 -1.063 12.994) 13.518 21.252 ( 14.186 19.268 -32.511) 40.367 21.513 ( 1.798 -7.670 -28.963) 30.015 ======================= Grid point 126 (70/108) ======================= q-point: ( 0.10 0.40 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.416 12.557 16.449) 20.698 1.977 ( 7.451 -5.444 4.100) 10.098 2.134 ( 4.169 2.622 0.754) 4.982 2.216 ( -1.704 2.212 0.775) 2.898 2.312 ( 6.271 -0.605 0.422) 6.314 2.443 ( -0.208 -13.389 1.896) 13.524 2.727 ( 0.088 10.843 20.078) 22.818 2.985 ( -1.391 -8.139 3.806) 9.092 3.159 ( 4.733 0.640 -5.008) 6.920 3.258 ( 2.168 -5.013 -8.680) 10.255 3.591 ( 3.110 4.526 2.698) 6.118 3.631 ( -4.637 2.847 12.824) 13.931 3.643 ( 2.205 0.871 12.487) 12.710 3.880 ( -5.406 -6.935 7.732) 11.709 4.127 ( 1.429 12.924 -4.260) 13.683 4.378 ( 0.338 -3.414 1.916) 3.929 4.433 ( -1.518 2.368 2.652) 3.866 4.511 ( -2.282 -5.198 7.810) 9.655 4.641 ( -0.540 -0.155 -4.492) 4.527 4.709 ( -6.922 -5.111 0.896) 8.651 4.958 ( -3.511 -1.013 9.792) 10.452 5.056 ( 1.102 -7.441 6.591) 10.001 5.391 ( -1.397 8.759 7.279) 11.474 5.565 ( -0.568 -8.093 6.442) 10.359 5.979 ( 7.617 8.520 -17.898) 21.235 6.040 ( 8.193 3.438 -18.807) 20.800 6.422 ( 0.408 3.487 4.298) 5.550 6.447 ( 1.988 2.539 -9.450) 9.986 6.557 ( 1.961 3.127 -1.140) 3.863 6.715 ( -0.447 -10.389 1.910) 10.573 6.914 ( 3.367 3.842 -3.613) 6.257 6.977 ( 4.234 -2.265 -3.930) 6.205 7.084 ( -3.974 10.789 8.572) 14.341 7.152 ( -5.890 1.761 -2.862) 6.782 7.240 ( -2.036 2.634 -7.622) 8.317 7.402 ( -2.207 -9.619 -0.716) 9.895 7.669 ( -1.695 9.637 -4.934) 10.958 7.928 ( -3.139 -11.190 -6.528) 13.330 7.974 ( 2.217 10.413 -5.842) 12.144 8.131 ( -6.041 -4.342 5.600) 9.312 8.413 ( -4.046 2.709 15.942) 16.669 8.527 ( -1.376 -7.977 8.815) 11.968 9.044 ( -0.143 -0.030 2.319) 2.324 9.057 ( 0.890 -0.933 2.724) 3.014 9.174 ( -4.413 0.918 -1.849) 4.872 9.198 ( -5.765 -1.403 -3.099) 6.694 9.332 ( -5.072 4.018 7.481) 9.891 9.429 ( -5.070 -5.050 5.648) 9.116 9.733 ( 6.265 0.271 -15.043) 16.298 9.769 ( 3.672 -3.253 -14.494) 15.302 10.231 ( 9.122 5.789 -4.800) 11.822 10.348 ( 5.831 -4.694 -4.285) 8.626 10.897 ( -11.394 4.165 21.242) 24.462 10.961 ( -16.453 1.092 11.675) 20.204 11.190 ( -15.566 -2.465 16.856) 23.076 11.300 ( -16.183 -12.475 16.536) 26.286 11.660 ( 1.480 8.533 9.181) 12.621 11.803 ( -2.825 -4.499 8.041) 9.637 12.109 ( 3.397 4.285 -0.953) 5.550 12.166 ( 2.388 0.672 6.080) 6.567 12.311 ( 0.874 -0.376 -1.270) 1.586 12.369 ( -4.011 -2.096 -1.120) 4.662 12.537 ( -5.785 -3.931 4.513) 8.324 12.543 ( 2.436 -2.029 2.442) 4.002 12.992 ( -0.180 5.315 3.475) 6.352 13.066 ( -1.814 -1.729 4.824) 5.436 13.336 ( 2.977 7.465 10.390) 13.136 13.462 ( 12.471 -4.640 8.459) 15.768 14.647 ( 13.388 9.507 -31.307) 35.352 14.837 ( 12.103 4.857 -29.620) 32.364 14.862 ( 12.143 -5.281 -28.068) 31.035 15.084 ( 13.382 -13.951 -25.311) 31.849 17.297 ( -5.153 -0.268 18.748) 19.445 17.342 ( -6.380 -4.221 19.940) 21.357 17.687 ( -1.358 4.049 4.600) 6.276 17.786 ( -0.832 -5.553 5.941) 8.175 19.390 ( 5.176 5.382 6.690) 10.026 19.402 ( -2.959 5.682 -1.107) 6.501 19.480 ( 1.396 -1.504 3.112) 3.728 19.503 ( -0.025 -1.888 0.981) 2.128 19.803 ( -12.980 11.373 7.552) 18.838 20.041 ( -5.836 -10.577 15.766) 19.862 21.261 ( -4.461 2.506 -27.000) 27.481 21.291 ( 7.437 -0.112 -26.999) 28.004 ======================= Grid point 127 (71/108) ======================= q-point: ( 0.20 0.40 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 6.263 4.556 7.319) 10.656 2.078 ( 0.156 -7.213 -1.266) 7.325 2.203 ( 3.498 -0.428 5.495) 6.528 2.274 ( 8.480 -8.126 7.047) 13.697 2.514 ( 10.910 1.224 2.430) 11.244 2.535 ( 10.697 -2.397 4.671) 11.916 2.930 ( 3.231 7.860 21.115) 22.761 3.018 ( 3.767 -0.029 -3.757) 5.321 3.208 ( 2.270 -3.365 -1.969) 4.511 3.238 ( -0.005 -3.774 -5.052) 6.306 3.638 ( -2.324 2.543 12.741) 13.199 3.668 ( 0.442 2.766 11.433) 11.771 3.775 ( 3.348 -1.328 12.481) 12.991 3.881 ( 0.907 -2.352 5.910) 6.425 4.105 ( 0.377 6.561 -9.084) 11.212 4.307 ( -8.060 -3.446 -6.051) 10.651 4.355 ( -3.543 3.934 0.958) 5.380 4.548 ( -2.304 -3.409 4.452) 6.062 4.629 ( 0.161 -0.838 -1.098) 1.390 4.680 ( 2.971 -8.256 5.820) 10.529 5.014 ( 2.527 5.026 9.644) 11.165 5.142 ( 3.296 -4.662 7.227) 9.210 5.421 ( -1.439 10.035 7.966) 12.893 5.608 ( 0.833 -7.641 3.665) 8.515 5.981 ( 3.199 7.012 -15.729) 17.516 6.034 ( 4.634 2.358 -17.727) 18.473 6.413 ( 2.071 3.448 -9.827) 10.618 6.440 ( 0.018 2.258 -1.150) 2.534 6.572 ( -1.916 6.031 5.370) 8.299 6.724 ( -1.121 -7.428 5.219) 9.147 6.932 ( -1.245 2.653 -5.942) 6.626 6.959 ( -7.960 6.841 -7.842) 13.102 7.000 ( 1.819 -0.960 -4.938) 5.349 7.076 ( -4.753 14.883 7.834) 17.477 7.153 ( 2.138 -5.998 -7.253) 9.651 7.367 ( -4.413 -12.476 7.236) 15.083 7.579 ( -2.052 3.738 -10.410) 11.250 7.734 ( -9.636 -8.200 -11.039) 16.791 7.952 ( -1.931 9.154 -1.769) 9.521 8.105 ( -3.316 -6.219 12.445) 14.302 8.419 ( -5.887 0.779 11.310) 12.774 8.494 ( -5.868 -6.731 4.050) 9.805 8.952 ( -6.564 1.580 -1.152) 6.849 9.019 ( -4.820 -4.460 -1.863) 6.826 9.128 ( -1.510 2.192 2.298) 3.516 9.153 ( -1.025 -0.407 2.965) 3.164 9.308 ( -3.480 2.999 7.687) 8.955 9.393 ( -3.044 -5.162 6.979) 9.199 9.739 ( 4.663 -0.280 -15.652) 16.334 9.756 ( 6.879 -1.816 -16.663) 18.118 10.344 ( -3.093 3.764 -4.686) 6.760 10.364 ( 4.688 2.258 -0.942) 5.288 10.800 ( -10.940 -0.741 17.076) 20.293 10.845 ( -9.024 -5.155 17.545) 20.392 11.086 ( -7.729 4.771 25.072) 26.666 11.255 ( -5.156 -10.771 26.170) 28.766 11.723 ( -1.878 8.361 4.372) 9.620 11.821 ( 0.209 -0.890 6.490) 6.554 12.159 ( 2.997 6.091 -1.979) 7.071 12.217 ( -2.194 -0.395 -0.500) 2.284 12.313 ( 2.484 -1.022 5.894) 6.477 12.395 ( 6.608 -8.591 3.635) 11.432 12.537 ( 3.983 -0.942 0.026) 4.093 12.570 ( 1.676 -2.525 -1.090) 3.220 13.019 ( -1.158 4.924 5.294) 7.322 13.072 ( -0.469 -0.679 5.812) 5.871 13.436 ( 1.159 15.744 4.070) 16.303 13.717 ( 8.956 -11.248 2.310) 14.562 14.685 ( 12.924 11.413 -30.815) 35.311 14.869 ( 13.380 7.341 -32.456) 35.865 14.875 ( 10.631 -4.985 -28.686) 30.996 15.123 ( 8.225 -17.269 -25.391) 31.789 17.315 ( -5.663 1.613 18.158) 19.089 17.381 ( -4.081 -4.530 18.643) 19.615 17.692 ( -1.345 4.210 4.552) 6.345 17.793 ( -2.528 -5.666 5.266) 8.138 19.326 ( -2.094 7.230 -2.600) 7.964 19.451 ( -1.135 -4.728 -2.125) 5.306 19.479 ( -7.177 2.821 2.700) 8.171 19.516 ( -1.320 -1.113 3.146) 3.589 19.727 ( 1.808 16.553 12.453) 20.793 20.046 ( -5.233 -13.303 17.062) 22.259 20.928 ( -10.327 15.364 -21.446) 28.331 21.248 ( 3.754 -15.186 -21.705) 26.755 ======================= Grid point 128 (72/108) ======================= q-point: ( 0.30 0.40 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 4.748 1.101 -0.982) 4.972 2.094 ( 3.425 -3.223 -0.201) 4.707 2.391 ( 10.416 5.361 9.251) 14.927 2.500 ( 8.798 -2.512 3.284) 9.721 2.740 ( 10.203 2.951 3.075) 11.058 2.848 ( 16.155 -8.135 7.691) 19.655 3.027 ( -1.630 3.613 -1.744) 4.331 3.093 ( 1.916 1.274 13.087) 13.288 3.160 ( -7.236 0.160 1.594) 7.411 3.240 ( 4.695 -6.309 -1.761) 8.060 3.709 ( -1.309 5.726 9.678) 11.321 3.753 ( -2.167 1.563 10.299) 10.640 3.864 ( -3.131 6.338 1.570) 7.242 3.977 ( 5.116 -3.632 6.027) 8.700 4.015 ( -1.578 -0.047 -8.143) 8.294 4.118 ( -5.711 -4.328 0.084) 7.166 4.339 ( 2.410 5.343 2.514) 6.378 4.562 ( 1.955 -6.075 2.707) 6.932 4.675 ( 3.255 1.239 4.330) 5.557 4.748 ( -0.580 -10.023 7.362) 12.449 5.168 ( 5.978 5.407 9.710) 12.620 5.275 ( 4.797 -3.880 7.863) 9.995 5.416 ( -5.909 11.993 8.963) 16.096 5.622 ( -1.475 -6.960 1.340) 7.240 5.867 ( -2.918 6.918 -14.132) 16.003 5.968 ( 0.253 -2.127 -16.090) 16.232 6.394 ( 2.087 3.990 -7.314) 8.589 6.414 ( 0.238 0.950 -6.318) 6.394 6.559 ( -3.046 8.544 3.907) 9.876 6.707 ( -3.035 -2.047 -7.188) 8.067 6.789 ( -4.338 -3.177 3.955) 6.675 6.802 ( -5.115 -1.601 -3.733) 6.531 7.024 ( -1.204 5.161 0.824) 5.363 7.059 ( 0.582 14.008 2.042) 14.168 7.177 ( 1.682 -8.183 -5.407) 9.951 7.317 ( -6.074 -8.674 5.623) 11.990 7.476 ( -0.646 -1.828 -11.394) 11.557 7.493 ( -4.557 -2.571 -12.326) 13.391 7.915 ( -0.575 9.150 -0.174) 9.169 8.147 ( -1.503 -11.033 10.698) 15.441 8.355 ( -9.222 -0.827 15.061) 17.680 8.386 ( -9.126 -4.489 6.623) 12.137 8.834 ( -5.416 1.693 0.264) 5.680 8.910 ( -4.926 -5.522 -1.999) 7.665 9.106 ( -2.223 1.702 0.898) 2.941 9.130 ( -2.826 -0.810 1.090) 3.136 9.316 ( -1.369 4.601 8.969) 10.173 9.411 ( -0.851 -3.944 7.965) 8.929 9.717 ( 4.594 1.732 -16.267) 16.992 9.776 ( 7.108 -4.095 -16.840) 18.732 10.215 ( -3.019 5.778 -11.414) 13.144 10.337 ( -2.828 -5.419 -9.303) 11.131 10.778 ( -7.939 1.577 28.033) 29.178 10.838 ( -9.811 -4.286 29.768) 31.635 11.204 ( 0.731 9.807 23.674) 25.635 11.402 ( 1.852 -8.681 21.860) 23.593 11.661 ( -6.719 9.506 5.175) 12.739 11.844 ( -2.836 -7.438 4.781) 9.286 12.168 ( 1.787 7.624 -5.785) 9.736 12.213 ( 0.921 2.976 -0.012) 3.115 12.444 ( 7.007 4.030 6.204) 10.189 12.577 ( 7.542 -2.346 -0.776) 7.936 12.619 ( 5.116 -1.328 8.961) 10.404 12.706 ( 11.275 -5.199 -1.907) 12.562 13.032 ( -0.960 4.258 6.424) 7.767 13.123 ( 1.552 -3.947 6.465) 7.732 13.426 ( -3.301 16.602 0.905) 16.951 13.806 ( 0.989 -19.446 -2.711) 19.659 14.692 ( 10.296 12.350 -32.863) 36.585 14.870 ( 10.603 -0.085 -29.980) 31.800 14.912 ( 13.050 0.002 -30.376) 33.061 15.044 ( 3.724 -13.730 -29.397) 32.659 17.334 ( -5.392 4.186 17.376) 18.669 17.432 ( -3.739 -5.235 17.680) 18.814 17.697 ( -1.681 2.474 5.092) 5.906 17.769 ( -3.285 -4.340 4.614) 7.135 19.293 ( 0.002 6.308 -1.771) 6.552 19.336 ( -7.770 6.744 2.271) 10.537 19.407 ( -0.926 -4.799 -3.499) 6.011 19.456 ( -5.880 -4.937 1.934) 7.918 19.915 ( 5.228 8.015 14.820) 17.640 20.066 ( -4.635 -6.133 14.534) 16.442 20.628 ( -7.673 26.020 -14.874) 30.938 21.158 ( 1.512 -24.682 -17.111) 30.071 ======================= Grid point 129 (73/108) ======================= q-point: ( 0.40 0.40 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 6.274 0.816 2.008) 6.638 2.188 ( 5.431 -2.296 2.116) 6.265 2.606 ( 4.858 3.228 1.103) 5.937 2.622 ( 3.332 1.822 0.322) 3.811 2.874 ( -5.080 6.305 1.734) 8.281 2.917 ( -9.040 2.590 -3.564) 10.056 3.036 ( 2.203 5.062 3.157) 6.359 3.118 ( 7.727 -0.539 0.951) 7.804 3.216 ( 3.349 3.800 11.365) 12.443 3.420 ( 7.730 -5.547 -3.884) 10.277 3.514 ( -11.859 2.762 5.122) 13.210 3.707 ( -9.034 -8.090 -8.089) 14.578 3.820 ( 1.033 6.896 6.817) 9.752 3.975 ( -0.626 -6.101 4.774) 7.772 4.094 ( 1.632 -4.198 4.041) 6.051 4.156 ( 3.976 -7.854 9.838) 13.202 4.490 ( 8.488 9.737 5.695) 14.117 4.637 ( 2.319 -1.525 2.953) 4.053 4.766 ( -2.369 0.785 7.762) 8.154 4.795 ( 3.137 -1.891 11.340) 11.917 5.289 ( -6.091 8.353 6.787) 12.367 5.332 ( -2.990 4.286 13.072) 14.078 5.432 ( 4.372 -4.431 5.147) 8.077 5.559 ( -7.257 -9.515 9.934) 15.553 5.756 ( 4.201 7.746 -18.085) 20.117 5.884 ( 4.270 -4.352 -17.607) 18.633 6.378 ( 1.305 2.109 -7.828) 8.212 6.397 ( 3.103 2.018 -6.613) 7.578 6.510 ( -1.094 5.124 -5.007) 7.247 6.580 ( -2.338 -0.401 -8.728) 9.045 6.737 ( -2.641 0.073 4.271) 5.022 6.793 ( -2.121 -5.296 7.985) 9.813 6.934 ( -9.339 5.597 2.872) 11.261 7.000 ( -9.829 -0.309 -1.984) 10.032 7.136 ( 3.633 2.341 -4.567) 6.288 7.285 ( 0.456 -5.951 -3.325) 6.832 7.422 ( 3.642 -1.273 -10.559) 11.241 7.442 ( 4.193 -1.699 -7.671) 8.906 7.928 ( 1.838 6.753 -0.242) 7.003 8.146 ( -3.052 -12.735 0.249) 13.098 8.295 ( -8.546 0.528 19.855) 21.623 8.314 ( -7.657 -1.383 19.380) 20.883 8.760 ( -2.748 1.223 0.623) 3.071 8.823 ( -2.600 -4.498 -1.897) 5.531 9.071 ( -1.533 -0.186 0.025) 1.545 9.082 ( -2.274 -1.091 0.025) 2.522 9.359 ( -1.442 5.589 9.277) 10.926 9.449 ( -1.263 -2.764 8.167) 8.714 9.690 ( 4.632 3.326 -17.074) 18.001 9.786 ( 6.074 -6.364 -17.160) 19.283 10.105 ( 0.277 5.014 -12.784) 13.735 10.221 ( -0.040 -6.106 -13.102) 14.455 10.833 ( -9.355 0.318 34.391) 35.642 10.853 ( -11.478 -1.455 32.756) 34.739 11.343 ( -4.398 11.614 17.869) 21.761 11.559 ( -1.390 -7.132 18.324) 19.712 11.610 ( -1.322 8.429 8.266) 11.879 11.827 ( -0.869 -10.607 7.852) 13.226 12.156 ( 1.038 6.560 -5.270) 8.478 12.218 ( 1.440 0.547 -4.043) 4.327 12.638 ( 0.573 12.792 -3.346) 13.235 12.651 ( 9.038 10.245 5.859) 14.865 12.753 ( -0.533 -4.384 8.054) 9.186 12.890 ( 8.239 -3.879 0.000) 9.107 13.093 ( 2.484 2.572 9.414) 10.070 13.229 ( 2.718 -6.808 8.811) 11.461 13.369 ( -1.850 10.645 0.990) 10.850 13.754 ( -1.967 -25.790 -5.048) 26.353 14.634 ( 8.752 10.001 -35.529) 37.933 14.828 ( 4.630 -6.678 -30.486) 31.550 14.920 ( 8.808 -1.139 -33.115) 34.285 14.939 ( 11.198 -1.104 -30.747) 32.742 17.348 ( -5.452 5.718 17.134) 18.867 17.473 ( -4.567 -5.957 16.591) 18.210 17.696 ( -2.306 1.377 5.725) 6.324 17.747 ( -2.384 -3.267 4.939) 6.383 19.239 ( -3.964 4.487 1.863) 6.270 19.296 ( 1.079 5.565 -1.365) 5.831 19.345 ( -6.340 -5.574 1.720) 8.615 19.386 ( 0.759 -3.158 -2.713) 4.231 20.053 ( -6.124 2.864 10.866) 12.797 20.079 ( 1.308 0.147 14.442) 14.502 20.470 ( 0.183 30.716 -9.167) 32.056 21.099 ( 3.871 -29.038 -13.818) 32.391 ======================= Grid point 130 (74/108) ======================= q-point: (-0.50 0.40 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 1.442 0.544 2.448) 2.893 2.297 ( 2.662 -1.895 3.284) 4.633 2.585 ( -7.126 4.814 2.111) 8.855 2.616 ( -1.794 1.967 -1.207) 2.923 2.672 ( -8.464 1.427 -1.524) 8.718 2.710 ( -9.516 -1.774 -3.530) 10.303 3.067 ( -10.063 7.868 -3.232) 13.176 3.127 ( -3.365 6.082 2.898) 7.530 3.244 ( -10.086 -8.386 -7.194) 14.960 3.287 ( -6.169 -8.819 -0.607) 10.780 3.537 ( 11.128 14.423 13.099) 22.437 3.762 ( 5.004 -4.408 11.915) 13.654 3.940 ( 4.731 -0.873 6.504) 8.090 3.992 ( 3.350 -7.802 1.576) 8.636 4.171 ( -1.102 -0.733 10.748) 10.829 4.230 ( -0.741 -3.695 3.946) 5.457 4.652 ( -1.844 3.281 3.427) 5.090 4.672 ( 5.529 3.645 4.770) 8.161 4.786 ( 0.319 3.734 5.887) 6.978 4.907 ( -0.319 -4.300 10.259) 11.128 5.172 ( -8.689 6.602 4.787) 11.916 5.304 ( -8.494 -0.227 10.957) 13.866 5.442 ( -2.042 2.200 0.763) 3.097 5.625 ( 0.742 -9.951 5.710) 11.496 5.780 ( 9.115 6.449 -11.807) 16.251 5.880 ( 7.826 -3.444 -16.815) 18.864 6.351 ( 1.820 1.066 -10.996) 11.197 6.393 ( 1.518 0.659 -7.986) 8.155 6.479 ( 2.072 7.468 -2.200) 8.056 6.553 ( 2.657 3.514 -1.560) 4.674 6.722 ( -1.055 4.384 -0.529) 4.541 6.784 ( -3.461 -5.551 5.929) 8.829 6.823 ( -3.491 -5.115 11.196) 12.794 6.850 ( -4.474 -4.544 -0.231) 6.381 7.170 ( 3.612 1.403 -6.989) 7.991 7.231 ( -2.550 -4.206 -5.812) 7.614 7.472 ( 7.692 0.827 -8.904) 11.795 7.503 ( 8.233 -1.654 -8.618) 12.033 7.966 ( 2.198 5.928 -0.553) 6.346 8.095 ( -2.166 -5.053 1.474) 5.692 8.299 ( -6.497 0.017 20.892) 21.879 8.315 ( -5.665 -1.201 16.310) 17.308 8.740 ( 0.524 1.163 -0.261) 1.302 8.794 ( 0.331 -2.969 -0.560) 3.039 9.048 ( -1.390 -0.825 1.038) 1.921 9.055 ( -0.097 -2.283 -0.920) 2.463 9.371 ( -3.495 5.974 7.941) 10.534 9.468 ( -2.697 -3.202 8.150) 9.163 9.669 ( 5.709 3.533 -16.876) 18.163 9.768 ( 4.561 -5.932 -17.193) 18.751 10.055 ( 3.026 4.859 -11.414) 12.768 10.174 ( 3.661 -6.252 -12.052) 14.062 10.847 ( -12.167 1.416 31.191) 33.510 10.886 ( -10.240 -2.589 35.200) 36.751 11.290 ( -11.152 9.743 18.190) 23.456 11.525 ( -10.830 -12.031 12.743) 20.601 11.750 ( 5.324 10.362 12.438) 17.042 11.947 ( 4.230 -7.822 11.538) 14.567 12.138 ( 0.341 7.044 -4.245) 8.232 12.223 ( 1.870 -0.614 -3.916) 4.383 12.566 ( -3.769 6.194 -2.769) 7.761 12.671 ( -6.797 -4.352 -2.637) 8.491 12.845 ( 2.864 11.461 8.264) 14.417 12.980 ( -0.161 2.669 3.856) 4.692 13.224 ( 0.334 -0.336 13.747) 13.755 13.278 ( -1.563 -0.529 8.715) 8.869 13.392 ( 1.836 4.080 1.646) 4.767 13.730 ( 2.621 -23.816 -4.135) 24.314 14.556 ( 9.911 6.678 -37.984) 39.819 14.684 ( 6.481 -5.545 -37.131) 38.098 14.885 ( 9.552 2.469 -31.709) 33.208 14.927 ( 9.867 -1.527 -31.015) 32.582 17.362 ( -5.630 5.291 17.227) 18.880 17.476 ( -6.876 -5.471 15.910) 18.175 17.694 ( -2.079 1.718 6.086) 6.657 17.741 ( -2.222 -2.736 5.801) 6.787 19.206 ( -0.848 1.351 1.021) 1.894 19.253 ( -4.035 -3.269 1.121) 5.313 19.311 ( 1.296 5.492 -0.794) 5.699 19.404 ( 2.618 -3.366 -2.066) 4.738 19.985 ( -7.675 9.667 8.278) 14.862 20.158 ( -2.901 -6.946 13.642) 15.581 20.520 ( 10.533 29.331 -6.107) 31.757 21.123 ( 8.171 -27.947 -12.887) 31.841 ======================= Grid point 131 (75/108) ======================= q-point: (-0.40 0.40 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -11.658 -0.186 3.807) 12.265 2.242 ( -9.959 -6.757 -0.665) 12.053 2.509 ( -5.677 -0.557 1.676) 5.946 2.530 ( -6.148 -2.175 -0.804) 6.570 2.599 ( -0.496 1.193 3.717) 3.935 2.619 ( 1.037 -0.414 3.728) 3.892 2.819 ( -9.963 2.453 -4.042) 11.028 2.886 ( -11.750 -5.469 -8.976) 15.765 3.059 ( -11.216 9.366 11.670) 18.701 3.274 ( -4.568 -9.261 5.328) 11.620 3.716 ( -4.236 8.440 13.606) 16.562 3.893 ( -7.981 -8.383 17.372) 20.875 4.025 ( 10.857 10.613 -1.850) 15.295 4.111 ( 1.342 1.984 8.210) 8.553 4.250 ( 3.433 0.609 -0.876) 3.595 4.301 ( 10.609 -6.436 8.914) 15.278 4.602 ( -4.138 5.159 -2.908) 7.225 4.713 ( -1.339 -5.933 1.063) 6.175 4.875 ( 0.246 3.623 6.468) 7.418 4.949 ( -0.106 3.146 9.544) 10.049 4.998 ( -12.552 3.398 3.046) 13.356 5.232 ( -6.227 -11.635 7.707) 15.282 5.354 ( -5.922 8.277 -1.606) 10.304 5.572 ( -6.206 -10.861 -0.779) 12.533 5.891 ( 9.013 5.409 -11.822) 15.820 5.945 ( 10.127 -1.241 -17.265) 20.054 6.322 ( 3.247 2.392 -7.808) 8.788 6.360 ( 1.930 -0.239 -8.734) 8.948 6.554 ( -3.748 8.408 5.543) 10.746 6.572 ( 3.503 8.589 1.550) 9.405 6.733 ( 0.496 3.803 9.923) 10.639 6.820 ( 3.300 -4.467 0.469) 5.574 6.852 ( 4.067 -4.681 -1.157) 6.308 6.897 ( 2.182 -6.934 12.127) 14.139 7.132 ( 0.865 1.540 -13.574) 13.688 7.183 ( 4.041 -2.492 -10.268) 11.313 7.566 ( 8.500 3.239 -7.680) 11.905 7.643 ( 11.409 -2.965 -5.077) 12.834 7.993 ( 1.556 5.636 -2.509) 6.362 8.080 ( 0.677 -2.655 -2.268) 3.557 8.314 ( -5.227 0.535 16.071) 16.909 8.333 ( -5.066 -2.696 19.378) 20.210 8.768 ( 2.483 2.086 -1.216) 3.463 8.822 ( 2.434 -2.190 0.555) 3.321 9.038 ( -0.378 -0.539 1.231) 1.396 9.062 ( 1.369 -3.596 -0.087) 3.849 9.350 ( -3.322 5.661 6.126) 8.979 9.458 ( -3.436 -4.487 6.250) 8.426 9.678 ( 6.593 2.576 -14.577) 16.205 9.740 ( 4.500 -3.205 -15.008) 15.992 10.059 ( 4.808 4.890 -9.490) 11.708 10.160 ( 2.260 -3.546 -11.157) 11.923 10.834 ( -10.519 1.998 29.459) 31.344 10.926 ( -9.812 -6.865 32.433) 34.573 11.227 ( -9.442 3.971 20.935) 23.307 11.398 ( -12.313 -11.592 17.369) 24.242 11.917 ( 4.144 10.391 9.505) 14.680 12.041 ( -1.866 2.956 2.600) 4.357 12.124 ( -0.399 1.270 3.412) 3.662 12.215 ( -1.232 -2.457 -2.578) 3.768 12.501 ( -5.193 -1.603 2.219) 5.870 12.542 ( -0.433 -4.215 -2.509) 4.924 12.854 ( -4.925 8.364 5.025) 10.930 12.971 ( -5.524 -0.798 8.861) 10.472 13.249 ( -5.371 1.941 12.921) 14.127 13.327 ( -0.467 -1.252 8.238) 8.345 13.447 ( 0.366 7.322 4.108) 8.404 13.719 ( -2.242 -14.474 -5.114) 15.513 14.504 ( 12.878 4.780 -39.906) 42.204 14.588 ( 11.116 -3.337 -40.506) 42.136 14.833 ( 8.058 4.202 -31.811) 33.083 14.906 ( 10.371 -2.943 -30.359) 32.216 17.362 ( -6.930 3.143 17.320) 18.918 17.437 ( -8.564 -4.061 16.209) 18.777 17.696 ( -2.174 1.818 5.641) 6.313 17.740 ( -2.454 -2.301 6.720) 7.515 19.198 ( -1.031 1.265 1.204) 2.028 19.225 ( 0.413 -1.450 -0.522) 1.595 19.336 ( 1.971 6.129 -0.680) 6.473 19.450 ( 3.271 -5.166 -1.121) 6.216 19.899 ( -6.504 13.633 7.834) 17.016 20.170 ( -5.123 -12.028 13.332) 18.672 20.760 ( 18.849 21.732 -6.940) 29.592 21.212 ( 10.806 -21.353 -15.511) 28.519 ======================= Grid point 132 (76/108) ======================= q-point: (-0.30 0.40 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -15.513 2.930 8.118) 17.752 2.076 ( -8.052 -7.698 2.544) 11.426 2.343 ( -10.617 1.484 -3.175) 11.181 2.450 ( -1.335 -10.680 0.050) 10.764 2.597 ( -4.166 4.026 3.774) 6.914 2.659 ( -2.558 -1.531 8.046) 8.581 2.715 ( -1.262 2.227 3.895) 4.661 2.760 ( 1.935 -2.417 -1.736) 3.550 2.897 ( -11.855 10.194 11.046) 19.144 3.190 ( -8.334 -14.633 7.774) 18.548 3.652 ( -8.182 6.999 7.210) 12.958 3.763 ( -11.721 -0.837 9.623) 15.188 4.133 ( -6.090 3.992 6.013) 9.444 4.172 ( -0.303 2.119 4.678) 5.144 4.394 ( 10.591 8.068 -2.666) 13.578 4.477 ( -3.516 2.594 1.643) 4.668 4.577 ( -11.065 -2.131 2.963) 11.652 4.598 ( 6.730 -4.441 2.813) 8.540 4.839 ( -1.043 -0.619 3.258) 3.476 4.897 ( -3.376 -4.031 3.478) 6.304 5.022 ( 1.822 6.713 7.785) 10.440 5.149 ( -6.810 -4.003 7.197) 10.687 5.277 ( -2.331 -1.864 2.611) 3.965 5.428 ( -9.769 -11.361 4.173) 15.554 5.936 ( 8.232 5.200 -19.850) 22.110 6.001 ( 9.522 -1.406 -20.809) 22.927 6.354 ( 3.277 2.139 -7.300) 8.283 6.374 ( 6.168 0.745 -6.673) 9.117 6.497 ( -5.380 6.876 6.110) 10.657 6.579 ( -4.888 1.153 5.837) 7.700 6.823 ( 0.561 2.852 7.707) 8.237 6.878 ( -0.466 -2.370 -0.969) 2.602 6.928 ( 1.913 1.356 1.718) 2.907 6.964 ( 1.875 -3.387 5.487) 6.715 7.171 ( 12.325 2.877 -14.568) 19.298 7.226 ( 9.730 -2.159 -12.123) 15.694 7.680 ( 7.786 8.752 -5.874) 13.104 7.837 ( 11.456 -1.524 -3.342) 12.030 7.992 ( 1.035 5.484 -4.108) 6.930 8.085 ( 2.273 -3.909 -5.258) 6.935 8.330 ( -5.927 0.887 18.811) 19.743 8.379 ( -3.716 -5.341 17.750) 18.904 8.799 ( 1.678 2.896 -1.288) 3.586 8.875 ( 2.341 -3.876 -0.395) 4.545 9.070 ( 3.358 0.880 1.925) 3.970 9.120 ( 4.592 -3.917 1.196) 6.153 9.345 ( -1.034 4.465 5.010) 6.790 9.433 ( -1.711 -3.818 1.939) 4.611 9.716 ( 6.961 1.166 -11.702) 13.666 9.746 ( 5.206 -1.601 -9.978) 11.368 10.091 ( 4.330 1.750 -9.263) 10.374 10.100 ( 0.534 1.293 -10.922) 11.011 10.866 ( -7.566 2.445 30.747) 31.759 10.979 ( -4.891 -9.785 26.936) 29.073 11.205 ( -7.810 0.490 19.505) 21.016 11.342 ( -6.886 -11.757 21.041) 25.067 11.977 ( -2.992 4.711 -2.065) 5.950 12.027 ( 1.166 6.645 7.130) 9.816 12.074 ( -7.748 3.325 3.572) 9.157 12.175 ( -3.092 -3.615 3.645) 5.993 12.446 ( -2.557 3.791 1.839) 4.929 12.547 ( -1.416 -5.032 1.576) 5.460 12.809 ( -4.578 3.938 7.897) 9.941 12.911 ( -5.927 -5.308 10.501) 13.175 13.221 ( -6.726 6.694 10.721) 14.318 13.340 ( -4.138 0.028 7.317) 8.406 13.422 ( -6.721 0.382 4.907) 8.330 13.561 ( -9.952 -7.280 -4.844) 13.248 14.495 ( 14.882 3.097 -40.364) 43.132 14.540 ( 13.363 -1.352 -41.869) 43.971 14.781 ( 9.481 6.852 -30.057) 32.253 14.909 ( 11.034 -5.419 -28.095) 30.667 17.339 ( -8.001 0.513 17.997) 19.702 17.384 ( -9.098 -3.459 17.276) 19.829 17.687 ( -2.513 2.243 5.125) 6.133 17.740 ( -2.453 -2.742 6.892) 7.813 19.193 ( -0.489 1.787 1.208) 2.212 19.222 ( -0.366 -1.113 -1.349) 1.787 19.384 ( 3.540 6.858 0.208) 7.720 19.500 ( 2.112 -4.617 0.041) 5.078 19.869 ( -2.637 14.574 9.026) 17.344 20.162 ( -5.109 -13.381 13.383) 19.602 21.094 ( 22.482 9.383 -11.690) 27.021 21.290 ( 10.352 -9.210 -21.967) 25.972 ======================= Grid point 133 (77/108) ======================= q-point: (-0.20 0.40 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -9.155 11.771 10.097) 18.009 1.920 ( -9.049 -2.173 0.943) 9.354 2.158 ( -7.244 8.963 2.886) 11.880 2.418 ( -6.651 -3.835 2.140) 7.970 2.501 ( -7.548 4.377 3.418) 9.371 2.613 ( -5.746 -4.662 0.657) 7.429 2.740 ( -2.822 0.365 13.208) 13.511 2.816 ( 4.152 -0.682 4.337) 6.042 2.946 ( 8.463 -0.551 7.422) 11.270 3.132 ( -1.052 -16.196 9.092) 18.604 3.526 ( -8.075 8.649 -1.211) 11.894 3.600 ( -13.128 6.067 10.073) 17.625 3.993 ( -10.061 1.265 -0.113) 10.141 4.100 ( -6.788 -4.772 -0.211) 8.300 4.261 ( -13.678 3.460 6.313) 15.457 4.401 ( -6.878 -4.054 5.710) 9.815 4.632 ( 5.660 4.339 0.781) 7.174 4.688 ( 1.046 -3.545 -0.404) 3.718 4.808 ( -7.293 4.121 2.311) 8.690 4.892 ( 0.862 -1.034 4.928) 5.109 5.065 ( -5.433 4.537 7.162) 10.070 5.209 ( 7.950 -1.188 5.919) 9.982 5.251 ( -6.063 -9.630 5.718) 12.736 5.335 ( -0.532 -9.246 8.364) 12.479 5.951 ( 8.404 5.579 -21.807) 24.027 6.019 ( 7.370 0.113 -21.316) 22.554 6.359 ( 0.505 3.960 -3.185) 5.106 6.426 ( 1.951 -2.508 -5.437) 6.297 6.466 ( 0.856 4.444 0.612) 4.566 6.527 ( -1.386 1.435 5.131) 5.505 6.852 ( 1.838 0.747 -2.206) 2.967 6.862 ( -1.064 -3.488 1.616) 3.989 6.949 ( 0.773 2.151 -0.390) 2.319 7.038 ( 2.173 -6.181 5.300) 8.428 7.312 ( 10.145 1.886 -9.475) 14.009 7.342 ( 7.856 -0.395 -7.032) 10.551 7.756 ( 5.048 14.555 -6.496) 16.719 7.982 ( 1.801 4.675 -3.943) 6.375 7.992 ( 7.139 -1.326 -9.100) 11.642 8.081 ( 0.464 -4.283 -2.179) 4.828 8.342 ( -7.114 1.325 21.013) 22.224 8.414 ( -5.075 -3.748 15.830) 17.040 8.829 ( 2.532 2.518 -0.599) 3.620 8.899 ( 1.132 -4.575 -0.186) 4.717 9.181 ( 5.904 0.512 1.136) 6.034 9.229 ( 5.357 -3.815 0.722) 6.616 9.377 ( 1.129 4.314 3.565) 5.709 9.441 ( 2.761 -1.835 -1.488) 3.634 9.764 ( 2.678 1.434 -6.097) 6.811 9.789 ( 6.037 -1.300 -7.539) 9.745 10.050 ( 4.056 1.813 -12.410) 13.181 10.110 ( 4.210 -3.192 -9.673) 11.022 10.979 ( -2.468 6.382 31.069) 31.814 11.126 ( 2.247 -0.581 20.270) 20.403 11.228 ( -2.766 -4.536 20.367) 21.048 11.414 ( 1.370 -14.804 15.062) 21.164 11.893 ( -7.756 5.754 2.574) 9.995 11.952 ( -5.004 1.946 1.608) 5.605 12.082 ( -0.671 -0.990 4.616) 4.769 12.104 ( -6.900 0.869 6.502) 9.521 12.393 ( -7.123 4.931 4.593) 9.805 12.463 ( -7.376 -0.266 -0.344) 7.389 12.752 ( -5.946 7.116 2.434) 9.588 12.898 ( -5.269 -7.812 11.913) 15.190 13.134 ( -11.556 3.702 8.838) 15.012 13.220 ( -10.766 -3.626 0.620) 11.377 13.284 ( -7.326 1.369 8.782) 11.518 13.398 ( -8.559 -10.018 7.434) 15.129 14.510 ( 15.489 1.992 -39.514) 42.489 14.534 ( 16.199 -0.495 -39.447) 42.646 14.786 ( 11.519 6.320 -27.934) 30.870 14.937 ( 10.925 -8.615 -24.494) 28.170 17.301 ( -9.402 0.221 17.828) 20.157 17.348 ( -7.663 -4.332 20.221) 22.054 17.676 ( -2.315 2.629 5.275) 6.332 17.740 ( -2.338 -3.414 6.236) 7.484 19.193 ( -0.903 0.441 0.577) 1.159 19.209 ( 0.379 -1.537 1.649) 2.286 19.466 ( 3.961 4.435 1.755) 6.200 19.519 ( -0.406 -1.260 1.109) 1.727 19.914 ( 0.015 12.577 10.151) 16.162 20.155 ( -5.488 -10.638 12.899) 17.597 21.289 ( 8.750 8.786 -30.276) 32.717 21.403 ( 20.379 -2.894 -19.042) 28.041 ======================= Grid point 134 (78/108) ======================= q-point: (-0.10 0.40 0.29) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -3.528 9.304 5.810) 11.522 1.801 ( -4.020 -0.371 3.120) 5.102 2.113 ( -5.401 15.520 12.734) 20.790 2.285 ( -5.409 10.625 1.266) 11.990 2.367 ( -7.840 6.094 1.054) 9.986 2.470 ( -6.640 -2.486 -2.607) 7.554 2.820 ( -5.182 -11.731 14.291) 19.202 2.890 ( 5.717 -2.542 2.197) 6.631 3.215 ( 10.812 1.497 11.155) 15.606 3.256 ( 3.159 -7.648 1.606) 8.429 3.362 ( -4.952 6.859 6.727) 10.808 3.422 ( -9.918 5.059 2.645) 11.444 3.787 ( -9.269 0.869 -2.983) 9.776 3.988 ( -5.919 -11.905 3.806) 13.829 4.127 ( -7.411 3.882 10.244) 13.226 4.319 ( -3.973 -7.888 5.504) 10.407 4.628 ( -8.740 5.897 -2.419) 10.817 4.671 ( -1.257 -5.113 -3.530) 6.339 4.704 ( -0.601 6.785 0.111) 6.812 4.886 ( -5.704 -1.157 8.603) 10.387 5.026 ( -3.632 -2.023 6.887) 8.045 5.148 ( -9.039 -12.820 6.229) 16.878 5.340 ( 2.449 4.811 4.502) 7.029 5.462 ( 4.274 -6.021 7.323) 10.399 5.958 ( 8.329 5.739 -20.919) 23.236 5.991 ( 5.417 3.462 -20.435) 21.423 6.347 ( -0.789 3.384 3.022) 4.605 6.420 ( 0.937 -3.072 -0.129) 3.214 6.497 ( 3.484 4.914 -5.083) 7.882 6.621 ( 7.202 -3.796 -1.898) 8.359 6.847 ( 1.049 0.022 -2.116) 2.361 6.895 ( 3.450 -3.190 -2.644) 5.392 6.982 ( 2.144 7.302 3.460) 8.360 7.115 ( 1.093 -3.977 7.288) 8.374 7.384 ( 0.303 0.236 -4.149) 4.167 7.412 ( 5.872 -3.292 -4.682) 8.200 7.797 ( 5.310 12.861 -11.286) 17.915 7.921 ( -4.211 1.424 -3.066) 5.400 8.026 ( 4.499 1.092 -10.716) 11.674 8.131 ( 5.370 -6.979 -0.921) 8.854 8.353 ( -7.255 2.433 22.210) 23.491 8.406 ( -7.049 -1.867 17.396) 18.862 8.886 ( 3.385 1.888 1.024) 4.009 8.933 ( 2.205 -3.121 1.260) 4.023 9.264 ( 2.861 -0.391 -1.446) 3.229 9.303 ( 2.451 -3.691 -1.200) 4.590 9.420 ( 0.532 5.649 2.744) 6.303 9.498 ( 3.440 -1.872 -2.898) 4.872 9.744 ( 0.025 2.366 -4.328) 4.933 9.822 ( 1.879 -4.938 -6.210) 8.154 10.071 ( 6.397 3.161 -12.503) 14.396 10.150 ( 8.152 -4.675 -11.900) 15.164 11.108 ( -6.287 9.177 21.038) 23.798 11.308 ( -3.172 -6.067 12.708) 14.435 11.358 ( 6.995 8.867 21.900) 24.641 11.574 ( 4.974 -6.880 6.160) 10.489 11.712 ( -15.091 9.856 5.354) 18.802 11.860 ( -9.996 -2.927 1.358) 10.504 12.015 ( 2.457 0.485 5.827) 6.342 12.150 ( -1.243 -7.990 9.465) 12.449 12.210 ( -8.481 5.025 1.691) 10.002 12.343 ( -6.631 -4.067 1.649) 7.951 12.614 ( -9.572 4.922 0.537) 10.777 12.804 ( -10.375 -12.455 9.362) 18.719 12.968 ( -6.201 10.327 5.158) 13.103 13.176 ( -4.249 -4.666 15.952) 17.155 13.201 ( -8.617 -0.455 8.888) 12.387 13.289 ( -7.493 -12.452 7.061) 16.157 14.546 ( 16.019 3.943 -36.775) 40.306 14.623 ( 18.877 -3.531 -32.462) 37.717 14.811 ( 11.296 5.048 -28.825) 31.368 14.979 ( 10.147 -12.828 -22.380) 27.719 17.253 ( -8.314 3.580 19.086) 21.124 17.353 ( -7.462 -6.852 21.482) 23.750 17.675 ( -1.739 2.408 5.463) 6.219 17.740 ( -1.807 -3.775 5.695) 7.067 19.191 ( 0.478 2.675 2.130) 3.453 19.264 ( 2.789 -4.620 4.930) 7.310 19.499 ( -1.432 2.039 1.939) 3.157 19.540 ( 0.628 -1.798 2.151) 2.873 19.986 ( -0.537 7.603 11.222) 13.566 20.113 ( -8.268 -4.748 11.414) 14.873 21.240 ( 10.969 24.572 -35.021) 44.165 21.566 ( 12.565 -9.548 -25.920) 30.346 ======================= Grid point 155 (79/108) ======================= q-point: ( 0.00 0.00 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.654 0.000 26.681) 26.689 1.952 ( 6.231 0.000 3.887) 7.344 2.032 ( -3.209 0.000 -2.864) 4.301 2.038 ( 3.355 0.000 14.809) 15.184 2.307 ( -6.041 0.000 -9.902) 11.599 2.384 ( 6.083 0.000 -18.166) 19.157 2.502 ( 4.345 0.000 21.551) 21.985 2.960 ( 1.488 0.000 -13.229) 13.312 3.250 ( -2.537 0.000 -4.384) 5.065 3.311 ( 2.685 0.000 -6.744) 7.259 3.729 ( -6.875 0.000 31.987) 32.717 3.819 ( -1.435 0.000 5.717) 5.894 3.918 ( -5.932 0.000 -1.788) 6.196 4.031 ( -4.946 0.000 8.410) 9.756 4.203 ( 0.516 0.000 0.685) 0.858 4.358 ( 2.945 0.000 -20.502) 20.712 4.478 ( 0.036 0.000 16.512) 16.512 4.682 ( -5.245 0.000 3.259) 6.175 4.819 ( -5.264 0.000 -2.211) 5.710 4.866 ( 1.159 0.000 2.230) 2.513 5.153 ( 7.605 0.000 -1.931) 7.846 5.250 ( -6.131 0.000 -2.251) 6.532 5.337 ( 5.167 0.000 2.253) 5.637 5.388 ( 4.926 0.000 -8.163) 9.534 5.535 ( -8.116 0.000 1.148) 8.197 5.847 ( 6.795 0.000 -24.656) 25.575 6.221 ( -7.124 0.000 9.437) 11.824 6.331 ( 0.553 0.000 5.286) 5.315 6.416 ( 1.170 0.000 1.488) 1.892 6.641 ( 3.124 0.000 -10.342) 10.804 6.778 ( 3.608 0.000 6.672) 7.585 6.915 ( -4.215 0.000 -7.802) 8.868 7.024 ( -0.458 0.000 -1.944) 1.997 7.029 ( 2.424 0.000 -1.671) 2.944 7.404 ( 3.175 0.000 3.705) 4.879 7.542 ( 9.893 0.000 6.614) 11.900 7.583 ( 1.143 0.000 -12.580) 12.632 7.610 ( -15.987 0.000 8.717) 18.208 7.962 ( -8.800 0.000 8.427) 12.184 8.312 ( 13.745 0.000 -16.423) 21.415 8.784 ( -7.857 0.000 18.539) 20.135 9.004 ( 5.328 0.000 -0.474) 5.349 9.067 ( -2.372 0.000 22.686) 22.809 9.138 ( 4.983 0.000 0.982) 5.079 9.204 ( -3.908 0.000 0.166) 3.912 9.261 ( 5.357 0.000 -5.756) 7.863 9.275 ( -2.583 0.000 -4.243) 4.968 9.479 ( -4.319 0.000 0.944) 4.421 9.601 ( -2.764 0.000 -6.270) 6.853 9.764 ( 8.928 0.000 -12.585) 15.430 9.964 ( -2.412 0.000 5.285) 5.809 10.172 ( 2.220 0.000 -11.805) 12.012 11.164 ( -3.948 0.000 10.222) 10.958 11.282 ( -4.245 0.000 1.346) 4.453 11.576 ( -0.961 0.000 9.021) 9.072 11.651 ( 0.848 0.000 0.317) 0.905 11.804 ( 11.269 0.000 -0.689) 11.290 11.868 ( -9.838 0.000 -6.503) 11.793 12.016 ( -4.806 0.000 20.018) 20.587 12.113 ( 2.403 0.000 16.832) 17.002 12.249 ( -5.315 0.000 -8.397) 9.938 12.386 ( 0.393 0.000 -5.715) 5.728 12.606 ( -7.578 0.000 19.391) 20.819 13.017 ( 13.119 0.000 2.663) 13.386 13.059 ( -14.010 0.000 -1.179) 14.060 13.323 ( 4.261 0.000 -15.141) 15.729 13.461 ( 0.171 0.000 10.373) 10.374 13.542 ( 7.481 0.000 -10.392) 12.804 13.603 ( -11.042 0.000 -3.183) 11.492 14.014 ( 8.071 0.000 -29.951) 31.019 14.941 ( 35.329 0.000 0.984) 35.343 15.155 ( -34.210 0.000 -18.012) 38.662 17.546 ( 3.177 0.000 10.566) 11.033 17.679 ( -3.628 0.000 -2.330) 4.312 18.030 ( 7.192 0.000 5.304) 8.936 18.086 ( -16.583 0.000 0.029) 16.583 19.077 ( -2.005 0.000 0.007) 2.005 19.084 ( 0.978 0.000 -0.608) 1.151 19.510 ( 0.071 0.000 1.791) 1.792 19.527 ( 0.247 0.000 0.164) 0.296 20.045 ( -27.838 0.000 6.410) 28.566 20.154 ( 38.652 0.000 -3.060) 38.773 20.544 ( 10.568 0.000 22.860) 25.184 21.081 ( -7.816 0.000 -27.243) 28.342 ======================= Grid point 156 (80/108) ======================= q-point: ( 0.10 0.00 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -1.347 0.000 1.111) 1.746 2.092 ( 6.564 0.000 0.872) 6.621 2.145 ( -3.611 0.000 -9.311) 9.986 2.273 ( 11.498 0.000 9.600) 14.979 2.286 ( 18.821 0.000 11.486) 22.049 2.404 ( 11.544 0.000 -21.144) 24.090 2.845 ( 14.949 0.000 17.867) 23.296 2.947 ( 11.065 0.000 -26.401) 28.626 3.175 ( -4.114 0.000 1.726) 4.462 3.279 ( -1.542 0.000 -6.010) 6.205 3.684 ( -15.511 0.000 7.567) 17.258 3.806 ( -4.662 0.000 11.630) 12.529 3.880 ( -2.246 0.000 21.703) 21.819 3.991 ( -6.889 0.000 7.269) 10.015 4.217 ( -2.240 0.000 9.074) 9.346 4.296 ( 5.618 0.000 -17.738) 18.607 4.616 ( -0.423 0.000 -4.157) 4.179 4.665 ( 7.037 0.000 18.008) 19.335 4.741 ( -5.172 0.000 6.912) 8.632 4.924 ( 5.412 0.000 -1.718) 5.678 5.124 ( -5.641 0.000 -1.349) 5.800 5.267 ( 5.418 0.000 -7.662) 9.384 5.354 ( -11.522 0.000 11.001) 15.930 5.389 ( 4.751 0.000 -17.229) 17.872 5.496 ( 6.850 0.000 3.187) 7.555 5.861 ( 7.380 0.000 -12.033) 14.115 6.143 ( -6.438 0.000 7.089) 9.576 6.359 ( -2.682 0.000 9.340) 9.718 6.445 ( 2.052 0.000 -3.240) 3.835 6.610 ( -2.312 0.000 -6.565) 6.960 6.744 ( -3.039 0.000 -12.588) 12.950 6.816 ( -3.518 0.000 6.515) 7.405 7.050 ( 3.202 0.000 -1.947) 3.747 7.059 ( 0.974 0.000 -0.570) 1.129 7.419 ( -9.243 0.000 5.648) 10.832 7.443 ( -0.108 0.000 1.610) 1.614 7.547 ( 3.711 0.000 -10.071) 10.733 7.796 ( -13.396 0.000 6.090) 14.715 7.813 ( 9.243 0.000 8.259) 12.395 8.368 ( 5.194 0.000 -17.130) 17.900 8.778 ( -6.372 0.000 17.606) 18.724 8.920 ( -12.500 0.000 1.862) 12.638 9.070 ( 3.269 0.000 -0.757) 3.355 9.163 ( -5.150 0.000 -2.408) 5.685 9.231 ( 1.483 0.000 4.258) 4.509 9.306 ( 2.230 0.000 -3.697) 4.317 9.317 ( -1.242 0.000 17.321) 17.365 9.365 ( -1.107 0.000 -16.490) 16.527 9.510 ( -2.046 0.000 -1.749) 2.692 9.867 ( 11.134 0.000 -12.442) 16.696 9.922 ( -7.758 0.000 9.775) 12.480 10.073 ( -2.696 0.000 -12.372) 12.663 11.262 ( 5.848 0.000 10.829) 12.307 11.283 ( -0.241 0.000 8.840) 8.843 11.506 ( -14.715 0.000 1.323) 14.774 11.577 ( -1.034 0.000 1.645) 1.943 11.757 ( 2.457 0.000 -9.567) 9.877 11.871 ( -5.745 0.000 20.865) 21.641 12.177 ( 1.521 0.000 -4.431) 4.684 12.256 ( 11.910 0.000 2.923) 12.263 12.357 ( 10.727 0.000 14.908) 18.366 12.429 ( 10.475 0.000 -7.944) 13.146 12.524 ( -15.271 0.000 15.846) 22.007 12.824 ( -7.245 0.000 0.802) 7.290 13.185 ( 1.371 0.000 6.780) 6.917 13.255 ( -30.291 0.000 17.144) 34.806 13.300 ( 4.779 0.000 -14.798) 15.551 13.578 ( 4.663 0.000 -3.513) 5.838 13.685 ( 14.743 0.000 0.945) 14.773 13.981 ( 10.612 0.000 -29.083) 30.959 14.556 ( -11.257 0.000 -22.939) 25.552 15.498 ( 16.374 0.000 5.793) 17.369 17.599 ( -0.889 0.000 -3.405) 3.519 17.635 ( -2.139 0.000 7.844) 8.130 17.855 ( -9.085 0.000 7.411) 11.724 18.195 ( 2.512 0.000 8.762) 9.115 19.057 ( -0.499 0.000 1.034) 1.148 19.108 ( 1.191 0.000 0.351) 1.241 19.537 ( 1.617 0.000 0.414) 1.669 19.540 ( 1.165 0.000 -0.299) 1.203 19.621 ( -14.663 0.000 0.596) 14.675 20.634 ( -19.290 0.000 -26.416) 32.709 20.687 ( 9.916 0.000 9.872) 13.992 20.860 ( 19.297 0.000 -2.845) 19.505 ======================= Grid point 157 (81/108) ======================= q-point: ( 0.20 0.00 -0.57) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 5.400 0.000 -0.829) 5.463 2.074 ( 1.891 0.000 -5.153) 5.489 2.216 ( 9.063 0.000 -7.491) 11.758 2.497 ( 8.236 0.000 -9.214) 12.359 2.537 ( 10.179 0.000 4.769) 11.241 2.697 ( 17.496 0.000 -0.328) 17.499 2.978 ( 9.196 0.000 -23.894) 25.602 3.133 ( -1.266 0.000 -0.039) 1.267 3.145 ( -1.337 0.000 -6.647) 6.780 3.251 ( 8.844 0.000 10.770) 13.936 3.458 ( -8.977 0.000 6.515) 11.092 3.817 ( -3.361 0.000 14.716) 15.095 3.920 ( -4.300 0.000 7.525) 8.666 3.991 ( -2.881 0.000 23.759) 23.933 4.250 ( -3.596 0.000 17.073) 17.448 4.331 ( 9.719 0.000 -14.768) 17.680 4.600 ( 2.413 0.000 -5.703) 6.192 4.738 ( -2.189 0.000 12.860) 13.045 4.911 ( 10.006 0.000 -4.475) 10.961 5.022 ( -4.888 0.000 0.023) 4.888 5.041 ( 4.681 0.000 8.663) 9.847 5.188 ( -10.826 0.000 13.091) 16.988 5.274 ( -0.164 0.000 -7.473) 7.475 5.366 ( 6.722 0.000 -19.190) 20.333 5.665 ( 4.525 0.000 11.054) 11.945 5.930 ( 5.180 0.000 -3.969) 6.526 6.093 ( -1.735 0.000 1.045) 2.025 6.364 ( -2.730 0.000 7.307) 7.800 6.426 ( -10.033 0.000 -6.556) 11.985 6.441 ( 0.357 0.000 -4.261) 4.276 6.689 ( 4.612 0.000 -14.134) 14.867 6.780 ( -4.925 0.000 7.309) 8.813 7.031 ( -3.366 0.000 -1.210) 3.577 7.103 ( 4.381 0.000 -4.053) 5.968 7.331 ( -4.937 0.000 7.071) 8.624 7.435 ( -2.663 0.000 4.013) 4.816 7.548 ( -5.979 0.000 -0.755) 6.026 7.614 ( 1.026 0.000 -6.927) 7.003 7.837 ( -10.672 0.000 2.875) 11.052 8.353 ( 6.304 0.000 -18.563) 19.604 8.714 ( -9.182 0.000 2.265) 9.457 8.785 ( -7.728 0.000 19.398) 20.881 9.057 ( -4.521 0.000 -0.288) 4.530 9.098 ( -1.294 0.000 -0.356) 1.342 9.236 ( -1.100 0.000 -2.279) 2.531 9.288 ( 1.823 0.000 -9.688) 9.858 9.324 ( 1.736 0.000 1.795) 2.497 9.325 ( -7.907 0.000 11.167) 13.683 9.515 ( 5.407 0.000 -6.511) 8.463 9.804 ( -9.278 0.000 6.481) 11.318 9.907 ( -0.089 0.000 -14.626) 14.627 10.048 ( 11.054 0.000 -9.357) 14.483 11.254 ( -12.394 0.000 3.973) 13.015 11.333 ( -4.377 0.000 14.987) 15.613 11.501 ( 10.838 0.000 10.982) 15.429 11.635 ( 5.664 0.000 3.963) 6.913 11.773 ( 4.997 0.000 -6.795) 8.434 11.907 ( -7.832 0.000 27.966) 29.042 12.156 ( -0.235 0.000 -5.400) 5.405 12.166 ( -17.337 0.000 1.018) 17.367 12.458 ( -1.956 0.000 1.530) 2.484 12.614 ( 0.435 0.000 20.550) 20.554 12.672 ( 17.883 0.000 -6.437) 19.006 12.810 ( -12.981 0.000 20.237) 24.042 12.927 ( 0.276 0.000 12.273) 12.276 13.204 ( -2.470 0.000 5.900) 6.396 13.324 ( 7.333 0.000 -11.829) 13.918 13.607 ( 2.799 0.000 -7.163) 7.691 14.004 ( 17.157 0.000 -0.537) 17.165 14.034 ( 15.263 0.000 -27.659) 31.591 14.349 ( 4.552 0.000 -28.215) 28.580 15.498 ( -15.360 0.000 -7.020) 16.888 17.576 ( -7.116 0.000 8.040) 10.737 17.641 ( 5.958 0.000 -0.353) 5.968 17.835 ( -1.854 0.000 9.044) 9.232 18.153 ( -10.179 0.000 2.655) 10.519 19.069 ( 0.796 0.000 1.324) 1.545 19.113 ( -0.026 0.000 0.375) 0.376 19.563 ( 1.477 0.000 -0.016) 1.477 19.567 ( 1.771 0.000 -1.315) 2.206 19.675 ( 13.580 0.000 12.768) 18.640 20.057 ( -23.184 0.000 -21.019) 31.293 20.720 ( -13.340 0.000 18.190) 22.557 21.162 ( 18.711 0.000 -19.100) 26.738 ======================= Grid point 158 (82/108) ======================= q-point: ( 0.30 0.00 -0.57) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 8.777 0.000 0.174) 8.779 2.149 ( 7.020 0.000 -0.160) 7.021 2.323 ( 7.554 0.000 -7.022) 10.314 2.563 ( 2.508 0.000 -1.341) 2.844 2.683 ( 1.621 0.000 3.457) 3.818 2.785 ( -4.704 0.000 -2.831) 5.491 2.998 ( -0.154 0.000 -1.582) 1.590 3.009 ( -5.594 0.000 -3.498) 6.598 3.121 ( 8.413 0.000 -13.753) 16.122 3.399 ( 0.320 0.000 -0.072) 0.328 3.551 ( 13.457 0.000 -1.486) 13.538 3.923 ( 2.729 0.000 20.987) 21.163 3.940 ( 1.193 0.000 3.580) 3.773 4.093 ( -1.464 0.000 18.385) 18.444 4.313 ( -2.955 0.000 18.991) 19.219 4.436 ( 10.476 0.000 -14.009) 17.493 4.632 ( 3.013 0.000 -3.728) 4.794 4.799 ( -4.785 0.000 13.374) 14.204 4.922 ( -3.789 0.000 0.618) 3.839 4.971 ( 3.101 0.000 2.523) 3.997 5.034 ( -14.979 0.000 17.933) 23.366 5.147 ( 1.705 0.000 -11.723) 11.846 5.338 ( 7.172 0.000 8.797) 11.350 5.399 ( 9.412 0.000 -15.061) 17.761 5.789 ( 0.951 0.000 8.544) 8.597 5.988 ( 2.438 0.000 -0.398) 2.470 6.084 ( 3.986 0.000 -10.621) 11.345 6.215 ( -7.240 0.000 -4.487) 8.518 6.350 ( -0.416 0.000 -3.034) 3.062 6.414 ( -1.878 0.000 1.433) 2.362 6.686 ( 4.687 0.000 -12.851) 13.679 6.709 ( -7.896 0.000 4.981) 9.336 6.960 ( -1.746 0.000 -1.948) 2.616 7.148 ( 4.367 0.000 -7.667) 8.824 7.315 ( -4.641 0.000 12.639) 13.464 7.392 ( -5.050 0.000 3.548) 6.172 7.409 ( -4.373 0.000 -0.891) 4.463 7.622 ( -11.515 0.000 6.123) 13.042 7.662 ( 7.179 0.000 -11.075) 13.198 8.277 ( -0.305 0.000 -22.642) 22.644 8.591 ( -6.428 0.000 5.474) 8.443 8.772 ( -7.992 0.000 20.058) 21.592 9.010 ( -1.973 0.000 5.004) 5.379 9.015 ( -6.600 0.000 -2.017) 6.902 9.180 ( 0.071 0.000 -7.949) 7.950 9.215 ( -7.806 0.000 4.021) 8.781 9.242 ( -0.150 0.000 -7.256) 7.258 9.383 ( -1.321 0.000 10.230) 10.315 9.541 ( -1.476 0.000 -1.816) 2.340 9.768 ( 5.700 0.000 -6.953) 8.991 9.812 ( 0.649 0.000 -13.560) 13.575 10.175 ( 7.334 0.000 -10.831) 13.080 11.146 ( -3.778 0.000 11.595) 12.195 11.317 ( -7.631 0.000 16.000) 17.726 11.752 ( 7.067 0.000 7.395) 10.229 11.790 ( 2.493 0.000 11.772) 12.033 11.839 ( 5.287 0.000 -3.154) 6.156 11.896 ( -16.132 0.000 26.296) 30.850 12.015 ( 3.392 0.000 11.483) 11.974 12.129 ( 1.879 0.000 -3.701) 4.151 12.326 ( -13.446 0.000 12.478) 18.344 12.693 ( -2.881 0.000 14.365) 14.652 12.714 ( -6.383 0.000 12.079) 13.662 12.910 ( 10.375 0.000 -6.035) 12.002 13.208 ( 1.727 0.000 -1.964) 2.615 13.224 ( 14.197 0.000 12.158) 18.691 13.411 ( 8.994 0.000 -7.852) 11.939 13.593 ( 0.277 0.000 -5.068) 5.075 14.149 ( 15.972 0.000 -27.126) 31.479 14.274 ( 13.162 0.000 -6.840) 14.833 14.275 ( 7.538 0.000 -29.770) 30.709 14.978 ( -24.543 0.000 -23.039) 33.662 17.526 ( -4.648 0.000 9.987) 11.016 17.748 ( 3.658 0.000 0.634) 3.712 17.854 ( -2.455 0.000 7.859) 8.233 17.969 ( -7.407 0.000 -1.560) 7.569 19.101 ( 1.659 0.000 0.850) 1.864 19.132 ( 1.272 0.000 1.565) 2.017 19.532 ( -15.516 0.000 -12.318) 19.811 19.584 ( 1.384 0.000 -2.415) 2.784 19.591 ( -0.714 0.000 0.344) 0.792 20.134 ( 16.498 0.000 24.540) 29.570 20.476 ( -22.845 0.000 12.354) 25.971 21.309 ( 11.900 0.000 -20.218) 23.460 ======================= Grid point 159 (83/108) ======================= q-point: ( 0.40 0.00 -0.57) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 11.387 0.000 3.425) 11.891 2.288 ( 6.612 0.000 1.828) 6.860 2.409 ( 4.425 0.000 -0.748) 4.488 2.575 ( -0.660 0.000 0.104) 0.668 2.654 ( -5.890 0.000 4.300) 7.292 2.689 ( -4.110 0.000 4.720) 6.258 2.922 ( -2.569 0.000 -1.353) 2.904 2.941 ( -2.408 0.000 -3.562) 4.300 3.216 ( 8.795 0.000 -11.833) 14.744 3.328 ( -5.324 0.000 -1.511) 5.534 3.784 ( 12.831 0.000 -7.427) 14.825 3.956 ( -1.489 0.000 -1.551) 2.150 4.168 ( -2.491 0.000 12.617) 12.860 4.180 ( 8.887 0.000 18.469) 20.496 4.375 ( -2.037 0.000 11.138) 11.323 4.507 ( 1.651 0.000 -6.174) 6.391 4.576 ( -1.286 0.000 -10.431) 10.510 4.743 ( -5.230 0.000 12.578) 13.622 4.784 ( -17.359 0.000 15.098) 23.006 4.934 ( -6.284 0.000 23.305) 24.137 5.105 ( 3.790 0.000 -14.593) 15.077 5.193 ( 11.369 0.000 6.454) 13.073 5.501 ( 10.653 0.000 -12.927) 16.751 5.501 ( 4.506 0.000 2.810) 5.311 5.797 ( -4.887 0.000 5.802) 7.586 6.014 ( 1.677 0.000 -4.288) 4.605 6.106 ( 8.525 0.000 -14.758) 17.043 6.117 ( -2.442 0.000 2.393) 3.419 6.308 ( 0.428 0.000 -9.944) 9.953 6.391 ( -4.288 0.000 8.092) 9.158 6.552 ( -8.884 0.000 -3.136) 9.422 6.691 ( 5.404 0.000 -13.609) 14.643 6.943 ( -0.706 0.000 2.403) 2.505 7.156 ( 2.579 0.000 -9.400) 9.747 7.312 ( -3.421 0.000 0.364) 3.441 7.315 ( -5.517 0.000 17.048) 17.919 7.383 ( 1.362 0.000 -2.096) 2.499 7.530 ( -6.282 0.000 12.338) 13.845 7.717 ( 7.520 0.000 -12.765) 14.816 8.051 ( -6.233 0.000 -23.089) 23.915 8.553 ( -2.264 0.000 7.712) 8.038 8.761 ( -7.974 0.000 21.116) 22.571 8.858 ( -7.057 0.000 -3.358) 7.815 9.040 ( -3.125 0.000 14.718) 15.046 9.139 ( -0.789 0.000 -3.530) 3.617 9.146 ( 2.094 0.000 -3.612) 4.175 9.193 ( 2.100 0.000 -11.731) 11.917 9.400 ( -2.709 0.000 6.585) 7.120 9.542 ( 0.974 0.000 7.282) 7.347 9.745 ( 1.565 0.000 -12.666) 12.762 9.774 ( 1.461 0.000 -14.808) 14.880 10.130 ( -2.772 0.000 -13.752) 14.028 11.267 ( 5.390 0.000 15.855) 16.746 11.323 ( -3.217 0.000 18.345) 18.624 11.804 ( -6.538 0.000 9.859) 11.830 11.839 ( 1.996 0.000 -4.684) 5.091 11.864 ( -10.321 0.000 28.361) 30.180 11.900 ( 3.073 0.000 -0.684) 3.148 12.184 ( 1.558 0.000 4.881) 5.123 12.193 ( -9.617 0.000 17.279) 19.774 12.261 ( 10.736 0.000 12.451) 16.441 12.692 ( -0.058 0.000 -0.810) 0.812 12.754 ( -4.863 0.000 26.905) 27.341 12.978 ( 1.572 0.000 -5.528) 5.748 13.238 ( 7.368 0.000 -14.922) 16.642 13.531 ( 8.140 0.000 -6.845) 10.636 13.555 ( 10.953 0.000 14.437) 18.122 13.559 ( -2.303 0.000 1.861) 2.961 14.196 ( 6.875 0.000 -30.143) 30.917 14.259 ( 13.887 0.000 -27.609) 30.904 14.330 ( -6.022 0.000 -20.185) 21.064 14.422 ( -8.741 0.000 -22.030) 23.701 17.530 ( -2.854 0.000 11.123) 11.483 17.755 ( -1.841 0.000 -1.346) 2.281 17.850 ( -3.265 0.000 7.007) 7.730 17.894 ( -0.625 0.000 -0.462) 0.777 19.137 ( 1.877 0.000 -0.138) 1.882 19.166 ( -0.551 0.000 1.730) 1.815 19.326 ( 3.108 0.000 -3.910) 4.994 19.587 ( 0.650 0.000 -2.505) 2.588 19.595 ( -0.668 0.000 2.243) 2.341 20.071 ( -25.383 0.000 5.398) 25.950 20.550 ( 8.458 0.000 26.531) 27.847 21.352 ( 7.737 0.000 -21.077) 22.453 ======================= Grid point 160 (84/108) ======================= q-point: (-0.50 0.00 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 4.788 0.000 2.368) 5.341 2.447 ( -2.155 0.000 -0.527) 2.218 2.495 ( 10.680 0.000 4.361) 11.536 2.542 ( -7.145 0.000 0.826) 7.193 2.580 ( 1.650 0.000 1.121) 1.995 2.679 ( 0.619 0.000 -3.765) 3.815 2.890 ( -0.419 0.000 -0.833) 0.932 2.890 ( 0.164 0.000 0.262) 0.309 3.217 ( -5.960 0.000 1.174) 6.075 3.260 ( 1.851 0.000 -4.499) 4.865 3.828 ( -11.651 0.000 0.272) 11.654 3.902 ( 3.596 0.000 -5.010) 6.167 4.171 ( -7.578 0.000 19.406) 20.833 4.274 ( -9.424 0.000 2.600) 9.776 4.387 ( -0.739 0.000 2.916) 3.009 4.522 ( 9.290 0.000 3.484) 9.922 4.608 ( -8.898 0.000 8.307) 12.173 4.672 ( 13.031 0.000 -5.121) 14.001 4.759 ( -2.355 0.000 11.938) 12.168 5.015 ( 0.470 0.000 7.399) 7.413 5.117 ( 4.195 0.000 -1.428) 4.432 5.374 ( 4.451 0.000 2.151) 4.944 5.483 ( -9.000 0.000 1.802) 9.179 5.580 ( 6.418 0.000 -13.247) 14.720 5.751 ( -4.086 0.000 9.456) 10.301 6.023 ( 3.349 0.000 -4.635) 5.719 6.107 ( 1.871 0.000 -6.753) 7.008 6.229 ( -2.430 0.000 -7.713) 8.087 6.236 ( 10.461 0.000 -0.539) 10.475 6.313 ( -8.155 0.000 -0.034) 8.155 6.412 ( -2.904 0.000 1.625) 3.328 6.692 ( 5.124 0.000 -17.074) 17.826 6.949 ( -1.887 0.000 6.025) 6.313 7.120 ( 0.104 0.000 -8.273) 8.273 7.296 ( 0.422 0.000 2.950) 2.980 7.336 ( -3.179 0.000 10.864) 11.320 7.421 ( 2.683 0.000 5.157) 5.813 7.507 ( -4.788 0.000 9.599) 10.727 7.776 ( 8.143 0.000 -13.318) 15.610 7.791 ( -4.682 0.000 -18.569) 19.150 8.612 ( 2.803 0.000 8.080) 8.553 8.731 ( -3.398 0.000 -4.405) 5.563 8.761 ( -7.431 0.000 21.441) 22.692 9.072 ( -1.349 0.000 9.654) 9.747 9.098 ( -2.361 0.000 0.682) 2.458 9.169 ( 4.667 0.000 -14.214) 14.961 9.245 ( 5.400 0.000 5.532) 7.730 9.390 ( -1.747 0.000 1.548) 2.334 9.598 ( -2.976 0.000 -1.837) 3.498 9.700 ( 2.583 0.000 -11.786) 12.066 9.714 ( 4.583 0.000 0.435) 4.604 9.944 ( -4.955 0.000 -14.901) 15.703 11.429 ( -0.029 0.000 19.635) 19.635 11.483 ( 5.373 0.000 11.738) 12.910 11.683 ( -11.532 0.000 5.344) 12.710 11.819 ( 2.241 0.000 -8.602) 8.889 11.865 ( -6.488 0.000 18.377) 19.488 11.965 ( 3.584 0.000 1.641) 3.942 12.169 ( -5.339 0.000 17.072) 17.888 12.197 ( -4.241 0.000 6.285) 7.582 12.535 ( 4.660 0.000 16.444) 17.092 12.702 ( 1.390 0.000 2.241) 2.637 12.887 ( -6.263 0.000 -9.171) 11.106 12.897 ( -1.196 0.000 32.974) 32.996 13.273 ( 12.997 0.000 -31.981) 34.521 13.552 ( -2.924 0.000 11.492) 11.858 13.604 ( 4.903 0.000 -7.969) 9.357 13.817 ( 6.036 0.000 15.231) 16.383 13.933 ( -11.181 0.000 -20.230) 23.114 14.094 ( 4.813 0.000 -30.643) 31.019 14.235 ( -6.534 0.000 -16.989) 18.202 14.331 ( 13.170 0.000 -25.800) 28.967 17.563 ( -1.740 0.000 11.537) 11.667 17.710 ( -1.177 0.000 -2.489) 2.753 17.832 ( -3.607 0.000 6.996) 7.871 17.892 ( -0.092 0.000 0.826) 0.831 19.148 ( -1.127 0.000 0.751) 1.354 19.166 ( 1.602 0.000 -0.992) 1.884 19.503 ( 6.171 0.000 1.566) 6.367 19.527 ( -10.157 0.000 -0.706) 10.182 19.667 ( 14.569 0.000 2.221) 14.738 19.700 ( -10.131 0.000 -0.985) 10.179 20.803 ( 0.473 0.000 24.211) 24.215 21.310 ( 3.647 0.000 -24.031) 24.306 ======================= Grid point 161 (85/108) ======================= q-point: (-0.40 0.00 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -10.091 0.000 -0.958) 10.137 2.347 ( -10.043 0.000 -5.153) 11.288 2.444 ( -4.507 0.000 -2.053) 4.952 2.606 ( -3.194 0.000 -4.902) 5.851 2.687 ( 6.389 0.000 2.018) 6.700 2.703 ( 6.670 0.000 5.121) 8.409 2.900 ( -0.077 0.000 -2.506) 2.508 2.932 ( 3.867 0.000 0.674) 3.926 3.117 ( -5.891 0.000 -0.724) 5.935 3.275 ( 2.425 0.000 2.019) 3.156 3.587 ( -13.769 0.000 7.454) 15.657 3.886 ( -3.172 0.000 4.700) 5.670 4.142 ( -11.931 0.000 24.011) 26.811 4.148 ( -6.058 0.000 6.509) 8.892 4.398 ( -1.357 0.000 0.587) 1.479 4.553 ( 1.478 0.000 -5.664) 5.853 4.646 ( 6.058 0.000 -7.865) 9.928 4.783 ( -2.010 0.000 11.748) 11.918 4.958 ( 13.116 0.000 0.484) 13.125 5.006 ( -2.112 0.000 -4.687) 5.140 5.202 ( -0.223 0.000 3.942) 3.948 5.270 ( -9.961 0.000 2.692) 10.318 5.428 ( 2.513 0.000 -1.430) 2.892 5.571 ( 4.017 0.000 -16.704) 17.180 5.735 ( -5.046 0.000 9.225) 10.515 6.059 ( 7.359 0.000 -18.335) 19.757 6.074 ( -5.143 0.000 8.932) 10.306 6.120 ( -3.079 0.000 -3.429) 4.609 6.221 ( 0.498 0.000 -4.793) 4.819 6.395 ( -3.485 0.000 8.527) 9.212 6.455 ( 10.006 0.000 3.024) 10.453 6.660 ( 5.589 0.000 -15.502) 16.479 6.956 ( -2.274 0.000 7.726) 8.053 7.056 ( -1.294 0.000 -6.348) 6.478 7.343 ( 1.305 0.000 2.816) 3.104 7.360 ( 1.747 0.000 3.125) 3.580 7.478 ( -2.733 0.000 3.891) 4.755 7.547 ( 2.478 0.000 15.009) 15.212 7.658 ( 1.181 0.000 -12.242) 12.298 7.839 ( 7.547 0.000 -11.254) 13.550 8.672 ( 0.312 0.000 -4.629) 4.640 8.742 ( -0.914 0.000 14.042) 14.072 8.787 ( 1.049 0.000 14.181) 14.220 9.062 ( -2.594 0.000 1.941) 3.240 9.132 ( 2.171 0.000 5.513) 5.925 9.178 ( 6.382 0.000 -14.437) 15.785 9.330 ( -0.373 0.000 -9.904) 9.911 9.346 ( -2.448 0.000 11.697) 11.951 9.537 ( -1.115 0.000 3.018) 3.217 9.693 ( 4.910 0.000 -9.851) 11.007 9.789 ( -0.071 0.000 -15.288) 15.288 9.868 ( 4.291 0.000 10.652) 11.484 11.476 ( -12.510 0.000 7.674) 14.676 11.573 ( 1.777 0.000 -2.568) 3.123 11.577 ( 2.829 0.000 10.622) 10.992 11.823 ( 0.666 0.000 -1.234) 1.402 11.842 ( -5.890 0.000 7.890) 9.846 12.051 ( -2.844 0.000 12.952) 13.261 12.154 ( 2.294 0.000 -3.186) 3.925 12.208 ( -3.599 0.000 16.791) 17.173 12.563 ( -8.104 0.000 7.406) 10.978 12.644 ( -10.523 0.000 -11.547) 15.623 12.794 ( -1.430 0.000 15.564) 15.630 13.152 ( 3.494 0.000 33.365) 33.548 13.296 ( 16.697 0.000 -42.088) 45.279 13.540 ( 4.595 0.000 -26.600) 26.994 13.635 ( -1.816 0.000 7.771) 7.980 13.685 ( -11.802 0.000 14.628) 18.796 13.956 ( -9.841 0.000 -16.529) 19.237 13.966 ( 2.788 0.000 -5.068) 5.785 14.005 ( 4.551 0.000 -7.921) 9.136 14.421 ( 13.892 0.000 -20.380) 24.665 17.624 ( -0.077 0.000 11.343) 11.343 17.677 ( -0.416 0.000 -3.060) 3.088 17.811 ( -3.918 0.000 7.872) 8.793 17.901 ( 0.182 0.000 1.716) 1.725 19.134 ( -0.901 0.000 0.224) 0.928 19.193 ( 2.449 0.000 -0.242) 2.461 19.287 ( -9.487 0.000 -0.606) 9.506 19.526 ( -1.659 0.000 3.433) 3.813 19.636 ( -0.625 0.000 -1.674) 1.787 20.149 ( 30.754 0.000 -1.765) 30.804 20.909 ( -5.077 0.000 21.231) 21.829 21.138 ( -3.482 0.000 -29.400) 29.606 ======================= Grid point 162 (86/108) ======================= q-point: (-0.30 0.00 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -10.990 0.000 -2.934) 11.375 2.146 ( -10.164 0.000 0.240) 10.167 2.210 ( -17.214 0.000 2.131) 17.346 2.521 ( -6.204 0.000 2.133) 6.560 2.746 ( -1.070 0.000 -0.211) 1.091 2.750 ( -12.367 0.000 7.161) 14.291 2.825 ( -7.967 0.000 3.030) 8.524 3.016 ( 5.380 0.000 -2.177) 5.803 3.036 ( 4.891 0.000 -2.653) 5.564 3.373 ( 4.715 0.000 1.966) 5.109 3.502 ( 0.496 0.000 2.715) 2.760 3.869 ( -7.284 0.000 17.433) 18.894 4.060 ( -8.783 0.000 10.014) 13.320 4.144 ( 0.263 0.000 7.402) 7.407 4.307 ( -4.145 0.000 -7.729) 8.771 4.528 ( -4.342 0.000 1.878) 4.730 4.664 ( 3.179 0.000 -11.367) 11.803 4.796 ( -6.064 0.000 10.005) 11.700 4.883 ( -12.171 0.000 13.195) 17.951 5.074 ( -0.240 0.000 -0.322) 0.402 5.082 ( -1.171 0.000 -7.731) 7.819 5.271 ( 2.506 0.000 -10.628) 10.920 5.469 ( 1.197 0.000 -1.955) 2.292 5.516 ( 5.637 0.000 -23.522) 24.188 5.730 ( -1.974 0.000 10.783) 10.962 6.007 ( 1.065 0.000 -9.295) 9.356 6.119 ( 1.747 0.000 7.233) 7.441 6.127 ( 6.393 0.000 -1.971) 6.690 6.223 ( 2.024 0.000 -3.622) 4.149 6.392 ( -4.139 0.000 11.687) 12.398 6.583 ( 5.528 0.000 -3.134) 6.355 6.789 ( 14.546 0.000 -8.619) 16.907 6.968 ( -2.118 0.000 7.590) 7.880 6.998 ( -0.526 0.000 -5.120) 5.146 7.343 ( -2.250 0.000 -0.360) 2.279 7.462 ( -2.279 0.000 3.963) 4.571 7.466 ( 7.367 0.000 3.042) 7.970 7.651 ( 6.733 0.000 -10.606) 12.563 7.682 ( 1.178 0.000 12.915) 12.968 7.911 ( 5.441 0.000 -3.933) 6.714 8.678 ( 3.310 0.000 -3.652) 4.929 8.754 ( -7.758 0.000 20.748) 22.151 8.992 ( 10.353 0.000 5.905) 11.918 9.029 ( -1.400 0.000 0.563) 1.509 9.178 ( 5.226 0.000 -16.948) 17.736 9.211 ( 0.325 0.000 6.828) 6.836 9.295 ( -9.200 0.000 10.002) 13.589 9.343 ( 6.623 0.000 -3.917) 7.695 9.580 ( 2.501 0.000 5.023) 5.611 9.709 ( 3.794 0.000 -14.771) 15.250 9.781 ( 8.848 0.000 -8.117) 12.007 9.952 ( -3.825 0.000 10.248) 10.938 11.318 ( -6.211 0.000 1.235) 6.333 11.576 ( 2.988 0.000 -7.989) 8.530 11.703 ( 1.348 0.000 12.007) 12.083 11.755 ( -7.736 0.000 5.196) 9.319 11.788 ( -6.909 0.000 3.873) 7.921 11.988 ( -4.890 0.000 6.318) 7.989 12.172 ( -7.450 0.000 -6.068) 9.608 12.285 ( 8.591 0.000 0.445) 8.603 12.406 ( -6.408 0.000 -8.696) 10.802 12.451 ( -12.824 0.000 27.973) 30.772 12.782 ( -10.752 0.000 14.103) 17.734 13.331 ( 13.402 0.000 -37.138) 39.482 13.379 ( 2.061 0.000 11.042) 11.233 13.390 ( -1.020 0.000 -23.694) 23.716 13.518 ( -4.339 0.000 -9.239) 10.207 13.687 ( -10.145 0.000 7.068) 12.364 13.749 ( 1.688 0.000 4.560) 4.863 13.951 ( 5.228 0.000 -15.779) 16.623 14.096 ( 1.202 0.000 7.044) 7.146 14.671 ( 25.443 0.000 -1.976) 25.519 17.655 ( 0.395 0.000 -2.575) 2.605 17.673 ( -4.266 0.000 8.151) 9.200 17.838 ( 2.677 0.000 11.270) 11.584 17.917 ( 0.142 0.000 1.516) 1.522 19.115 ( -0.921 0.000 -0.535) 1.065 19.178 ( -2.171 0.000 -2.439) 3.266 19.317 ( 9.449 0.000 7.479) 12.051 19.520 ( -1.382 0.000 3.693) 3.943 19.606 ( -1.964 0.000 -0.559) 2.042 20.675 ( 23.144 0.000 -3.790) 23.453 20.747 ( -15.954 0.000 -34.284) 37.814 20.926 ( -3.474 0.000 14.220) 14.638 ======================= Grid point 163 (87/108) ======================= q-point: (-0.20 0.00 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -19.701 0.000 16.019) 25.392 1.914 ( -5.765 0.000 -0.334) 5.774 1.988 ( -7.550 0.000 4.503) 8.791 2.389 ( -9.510 0.000 2.690) 9.883 2.463 ( -21.995 0.000 19.940) 29.688 2.657 ( -6.362 0.000 -3.475) 7.250 2.690 ( -8.088 0.000 0.247) 8.092 3.081 ( 1.115 0.000 0.951) 1.465 3.170 ( 7.567 0.000 -1.257) 7.671 3.408 ( -1.526 0.000 -2.307) 2.766 3.589 ( 8.800 0.000 -5.383) 10.316 3.813 ( -16.167 0.000 27.415) 31.827 3.975 ( 0.057 0.000 -4.706) 4.706 4.208 ( -0.132 0.000 -8.163) 8.164 4.216 ( 2.430 0.000 0.444) 2.470 4.445 ( -5.608 0.000 7.017) 8.983 4.575 ( -7.242 0.000 -8.081) 10.851 4.709 ( -3.626 0.000 3.283) 4.891 4.801 ( -6.728 0.000 14.208) 15.720 5.053 ( -3.747 0.000 7.150) 8.072 5.069 ( 2.741 0.000 -2.789) 3.910 5.213 ( 2.299 0.000 -14.020) 14.207 5.394 ( -1.456 0.000 -11.255) 11.349 5.474 ( 1.245 0.000 -13.935) 13.991 5.741 ( -4.265 0.000 6.459) 7.740 5.982 ( 4.601 0.000 -17.073) 17.682 6.210 ( 0.440 0.000 10.830) 10.839 6.238 ( 2.987 0.000 -4.441) 5.352 6.331 ( 12.761 0.000 1.823) 12.891 6.396 ( -3.201 0.000 11.302) 11.746 6.655 ( 6.114 0.000 -10.490) 12.141 6.921 ( 2.870 0.000 -6.960) 7.528 6.980 ( -1.302 0.000 5.658) 5.806 7.038 ( 9.224 0.000 -2.926) 9.677 7.287 ( -3.111 0.000 0.893) 3.237 7.429 ( -3.900 0.000 4.431) 5.903 7.632 ( 7.935 0.000 -5.157) 9.464 7.779 ( -0.158 0.000 18.129) 18.130 7.797 ( 16.678 0.000 -10.732) 19.833 7.968 ( 0.839 0.000 1.228) 1.487 8.745 ( 5.628 0.000 -1.442) 5.810 8.757 ( -6.741 0.000 22.201) 23.202 9.031 ( 1.658 0.000 -0.630) 1.774 9.068 ( -18.857 0.000 19.614) 27.208 9.173 ( 6.025 0.000 -15.073) 16.233 9.218 ( 9.055 0.000 -0.304) 9.060 9.308 ( 3.505 0.000 -1.921) 3.997 9.450 ( 3.615 0.000 3.687) 5.163 9.685 ( 4.773 0.000 -14.685) 15.441 9.695 ( 6.041 0.000 1.465) 6.216 9.879 ( -7.636 0.000 6.527) 10.045 9.941 ( 12.892 0.000 -7.139) 14.737 11.292 ( 2.306 0.000 3.577) 4.256 11.547 ( -8.069 0.000 -3.414) 8.761 11.604 ( -6.483 0.000 2.235) 6.858 11.636 ( -8.689 0.000 7.028) 11.175 11.715 ( -6.414 0.000 -7.028) 9.514 11.964 ( -8.984 0.000 12.839) 15.670 12.084 ( 10.263 0.000 2.183) 10.492 12.262 ( -6.071 0.000 -2.177) 6.450 12.422 ( -11.950 0.000 18.614) 22.120 12.441 ( 7.874 0.000 -0.876) 7.923 12.628 ( -13.913 0.000 18.856) 23.433 13.055 ( -16.307 0.000 -8.178) 18.243 13.384 ( 12.701 0.000 -36.739) 38.873 13.396 ( -1.717 0.000 -3.216) 3.645 13.440 ( 3.596 0.000 -9.978) 10.606 13.550 ( -7.077 0.000 3.442) 7.870 13.904 ( -2.962 0.000 -5.582) 6.319 13.918 ( 14.240 0.000 0.249) 14.242 14.103 ( 4.931 0.000 -18.737) 19.375 15.331 ( 34.853 0.000 9.039) 36.006 17.572 ( -10.439 0.000 6.613) 12.358 17.667 ( 2.227 0.000 -0.874) 2.392 17.920 ( -0.541 0.000 0.489) 0.729 18.081 ( 14.229 0.000 10.529) 17.701 19.095 ( -0.623 0.000 -1.072) 1.240 19.135 ( -0.982 0.000 -1.824) 2.072 19.522 ( -0.907 0.000 2.986) 3.120 19.551 ( -2.278 0.000 1.549) 2.755 19.662 ( 16.086 0.000 14.829) 21.878 20.095 ( -28.026 0.000 -27.866) 39.522 20.731 ( -14.815 0.000 16.214) 21.963 21.146 ( 19.339 0.000 -15.811) 24.980 ======================= Grid point 164 (88/108) ======================= q-point: (-0.10 0.00 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -11.707 0.000 27.115) 29.534 1.865 ( 0.419 0.000 1.185) 1.257 1.946 ( -2.662 0.000 11.264) 11.574 2.206 ( -10.833 0.000 0.337) 10.838 2.312 ( -9.231 0.000 26.006) 27.596 2.490 ( -6.993 0.000 -7.416) 10.193 2.534 ( -5.195 0.000 -7.555) 9.169 3.049 ( -4.387 0.000 -0.610) 4.429 3.273 ( 5.407 0.000 -4.397) 6.969 3.328 ( -2.708 0.000 -5.230) 5.890 3.701 ( -10.506 0.000 21.277) 23.730 3.732 ( 8.510 0.000 -2.679) 8.921 3.981 ( -1.640 0.000 3.821) 4.158 4.148 ( -9.463 0.000 1.654) 9.606 4.186 ( 1.676 0.000 -3.267) 3.672 4.425 ( -2.949 0.000 9.524) 9.971 4.429 ( 0.324 0.000 -11.733) 11.737 4.708 ( -1.040 0.000 4.882) 4.992 4.816 ( -0.119 0.000 8.407) 8.408 4.974 ( -7.923 0.000 -0.589) 7.945 5.090 ( 0.519 0.000 -0.649) 0.831 5.230 ( 7.793 0.000 -8.754) 11.720 5.335 ( -0.147 0.000 -0.126) 0.193 5.383 ( -0.348 0.000 -13.078) 13.083 5.664 ( -7.248 0.000 3.963) 8.260 5.921 ( 5.030 0.000 -26.663) 27.134 6.257 ( -3.509 0.000 10.488) 11.060 6.276 ( 3.019 0.000 -0.596) 3.077 6.394 ( -2.011 0.000 7.362) 7.632 6.600 ( 11.050 0.000 3.918) 11.724 6.658 ( 3.186 0.000 -11.915) 12.333 6.936 ( 3.426 0.000 -5.445) 6.433 6.999 ( 0.561 0.000 2.162) 2.234 7.116 ( -1.049 0.000 -6.194) 6.283 7.282 ( 1.841 0.000 8.533) 8.729 7.421 ( 1.307 0.000 2.816) 3.104 7.646 ( 2.496 0.000 -14.051) 14.271 7.829 ( -14.984 0.000 22.162) 26.752 7.989 ( 1.960 0.000 1.391) 2.404 8.083 ( 20.494 0.000 -13.587) 24.588 8.820 ( -5.914 0.000 21.593) 22.388 8.868 ( 7.314 0.000 1.445) 7.456 8.897 ( -8.741 0.000 24.416) 25.933 9.071 ( 3.256 0.000 -2.079) 3.863 9.202 ( 6.330 0.000 -10.501) 12.261 9.298 ( 0.672 0.000 -4.769) 4.816 9.330 ( 0.303 0.000 -4.061) 4.072 9.510 ( -0.915 0.000 5.481) 5.556 9.684 ( -5.686 0.000 1.800) 5.964 9.700 ( 6.898 0.000 -12.870) 14.602 9.913 ( 5.796 0.000 0.270) 5.802 10.121 ( 10.573 0.000 -8.975) 13.868 11.290 ( -14.584 0.000 6.077) 15.800 11.400 ( -2.145 0.000 -0.116) 2.149 11.524 ( 0.691 0.000 1.507) 1.658 11.567 ( -0.785 0.000 7.537) 7.578 11.605 ( 3.065 0.000 -2.745) 4.114 11.998 ( -3.837 0.000 22.576) 22.900 12.100 ( -9.636 0.000 -3.442) 10.232 12.196 ( -16.858 0.000 5.939) 17.873 12.277 ( 6.106 0.000 0.351) 6.116 12.530 ( -2.957 0.000 -5.482) 6.229 12.595 ( -7.549 0.000 23.470) 24.654 12.793 ( 1.473 0.000 -2.217) 2.661 13.286 ( -8.238 0.000 -2.224) 8.533 13.348 ( 4.459 0.000 -17.607) 18.163 13.460 ( -1.802 0.000 1.408) 2.287 13.485 ( 4.176 0.000 -8.139) 9.148 13.777 ( -5.568 0.000 -6.417) 8.495 14.062 ( 8.102 0.000 -28.810) 29.927 14.317 ( 30.564 0.000 -6.033) 31.154 15.708 ( -2.318 0.000 -12.448) 12.662 17.459 ( -4.383 0.000 10.101) 11.010 17.711 ( 1.392 0.000 0.254) 1.415 17.922 ( 1.579 0.000 0.672) 1.716 18.333 ( 0.517 0.000 -4.227) 4.258 19.081 ( 0.057 0.000 -1.132) 1.133 19.123 ( -0.769 0.000 -1.090) 1.334 19.525 ( -0.489 0.000 1.567) 1.641 19.527 ( -2.166 0.000 1.142) 2.449 19.607 ( 4.212 0.000 0.875) 4.302 20.129 ( 16.659 0.000 21.747) 27.394 20.470 ( -23.618 0.000 13.585) 27.246 21.266 ( 6.892 0.000 -23.699) 24.681 ======================= Grid point 165 (89/108) ======================= q-point: ( 0.00 0.20 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 2.568 1.384 14.638) 14.926 1.960 ( 1.244 -2.507 3.491) 4.474 2.034 ( -1.015 7.860 9.953) 12.723 2.154 ( -0.787 6.847 7.946) 10.519 2.270 ( -2.588 -1.743 -7.858) 8.455 2.474 ( 4.891 5.232 -2.762) 7.676 2.540 ( 2.932 5.143 4.310) 7.323 2.937 ( 1.655 -2.715 -17.390) 17.678 3.237 ( -1.947 -0.621 1.649) 2.626 3.313 ( 0.475 -0.501 -3.592) 3.658 3.672 ( -5.357 -8.694 10.383) 14.563 3.803 ( 1.450 -7.579 -2.906) 8.245 3.863 ( -5.988 2.970 19.623) 20.731 4.053 ( -8.828 4.827 13.098) 16.517 4.156 ( 4.091 -3.843 -4.736) 7.343 4.407 ( 2.068 2.999 -1.831) 4.078 4.431 ( -0.053 -1.598 -3.452) 3.805 4.582 ( -1.956 -4.713 2.584) 5.720 4.786 ( -2.377 -2.464 8.693) 9.343 5.021 ( -4.403 4.369 4.102) 7.437 5.074 ( -4.386 -11.121 -4.392) 12.736 5.166 ( 5.466 3.334 -1.198) 6.514 5.412 ( 2.529 6.605 -10.460) 12.626 5.499 ( 0.067 2.417 -9.273) 9.583 5.573 ( -1.663 8.266 9.768) 12.904 5.948 ( 6.000 7.809 -21.351) 23.513 6.028 ( -6.369 -12.834 14.827) 20.619 6.326 ( 6.556 -3.541 -9.609) 12.159 6.489 ( -2.315 5.227 6.591) 8.725 6.657 ( 5.163 1.687 -9.156) 10.646 6.854 ( 5.424 2.362 3.244) 6.747 6.922 ( -4.051 -0.462 -3.555) 5.410 7.029 ( -0.820 4.899 5.073) 7.100 7.129 ( -2.397 9.041 -3.531) 9.998 7.421 ( 2.967 2.420 2.770) 4.726 7.511 ( 5.273 -2.762 7.967) 9.945 7.584 ( -12.290 -2.270 6.691) 14.176 7.615 ( 1.860 2.974 -12.703) 13.178 7.963 ( -4.918 -1.073 5.230) 7.259 8.251 ( 10.471 -6.574 -14.548) 19.092 8.806 ( -7.892 1.648 18.703) 20.366 8.945 ( -3.157 -7.010 18.169) 19.729 9.023 ( 5.942 0.490 2.759) 6.569 9.133 ( 1.630 -3.710 6.431) 7.602 9.174 ( -0.379 -0.289 -6.825) 6.842 9.237 ( -1.095 -0.357 -4.309) 4.460 9.287 ( 3.018 -0.606 -7.342) 7.961 9.426 ( 1.243 -6.474 -11.055) 12.872 9.612 ( -7.908 3.650 3.766) 9.489 9.798 ( 8.633 3.245 -9.879) 13.515 9.943 ( -5.242 -1.997 7.676) 9.507 10.155 ( 7.640 -2.986 -10.613) 13.413 11.209 ( -6.403 4.285 9.147) 11.959 11.305 ( -4.678 2.235 1.611) 5.429 11.599 ( 3.989 -3.916 3.824) 6.773 11.610 ( -5.775 0.407 4.038) 7.058 11.764 ( 2.419 -1.336 2.786) 3.924 11.875 ( -2.787 2.107 -5.891) 6.849 12.057 ( -2.011 1.765 18.227) 18.422 12.213 ( -6.846 8.856 7.415) 13.427 12.287 ( 7.650 -1.659 -5.096) 9.341 12.343 ( -2.437 0.853 -4.750) 5.407 12.581 ( -7.274 -1.971 19.200) 20.626 12.959 ( -11.226 -8.324 -3.288) 14.357 13.012 ( 8.580 0.093 4.013) 9.472 13.282 ( 0.537 -3.807 -11.013) 11.665 13.475 ( -0.387 1.244 12.231) 12.300 13.557 ( -3.518 0.509 5.642) 6.668 13.730 ( 2.640 11.486 -16.572) 20.335 14.061 ( 8.704 4.668 -28.874) 30.516 14.783 ( 25.888 -14.927 -2.020) 29.951 14.937 ( -18.465 -18.384 -15.228) 30.180 17.541 ( 1.251 0.035 10.518) 10.593 17.673 ( -2.548 -0.240 -2.255) 3.411 17.882 ( -7.943 -12.002 7.662) 16.305 17.944 ( 3.600 -7.292 1.271) 8.231 19.201 ( 3.959 9.725 4.317) 11.353 19.304 ( -8.366 12.477 -5.238) 15.910 19.513 ( 0.507 -0.495 1.537) 1.693 19.523 ( -0.046 0.109 0.583) 0.595 20.097 ( -25.000 5.145 8.772) 26.990 20.284 ( 29.849 11.295 -6.043) 32.482 20.532 ( 9.839 -0.362 17.541) 20.115 21.045 ( -5.365 -3.691 -27.370) 28.134 ======================= Grid point 166 (90/108) ======================= q-point: ( 0.10 0.20 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -1.468 1.000 0.397) 1.820 2.043 ( 3.196 -3.088 -4.403) 6.256 2.220 ( 2.485 3.065 1.822) 4.346 2.257 ( 12.230 1.188 8.738) 15.078 2.337 ( 11.063 3.244 12.025) 16.658 2.449 ( 7.755 4.013 -19.338) 21.218 2.812 ( 10.574 -3.568 11.101) 15.741 2.905 ( 9.715 -3.426 -22.280) 24.546 3.202 ( -3.146 2.030 5.141) 6.360 3.266 ( -3.630 -0.956 -0.770) 3.832 3.581 ( -5.285 -4.531 2.933) 7.554 3.843 ( -4.731 2.203 9.823) 11.123 3.859 ( -0.307 -2.025 7.318) 7.599 4.058 ( -5.006 4.736 18.867) 20.086 4.216 ( 2.500 -4.407 2.434) 5.621 4.353 ( 3.074 5.007 -15.713) 16.776 4.483 ( -2.441 -5.641 11.753) 13.263 4.573 ( 1.706 -4.524 -4.119) 6.352 4.830 ( -0.169 6.722 17.909) 19.130 4.914 ( -8.402 -13.930 -1.332) 16.322 5.042 ( 4.058 2.896 -0.253) 4.991 5.252 ( 3.235 -3.817 -3.736) 6.244 5.412 ( 1.948 1.554 -4.888) 5.486 5.438 ( -2.113 6.372 3.094) 7.392 5.590 ( -0.117 12.366 -1.645) 12.476 5.947 ( 7.226 5.912 -15.889) 18.429 6.014 ( -3.308 -8.511 9.811) 13.403 6.363 ( 4.131 -4.330 -10.328) 11.936 6.491 ( -1.546 5.104 4.513) 6.986 6.678 ( 2.964 3.870 -8.090) 9.445 6.773 ( -6.102 2.543 -7.077) 9.684 6.952 ( -2.781 11.053 5.543) 12.674 7.009 ( 0.983 -2.181 -0.888) 2.552 7.085 ( -2.587 3.698 3.050) 5.447 7.398 ( -8.209 -2.019 6.078) 10.411 7.447 ( -1.219 1.017 2.430) 2.902 7.579 ( 3.623 3.670 -11.198) 12.328 7.736 ( 3.183 -5.908 7.300) 9.916 7.837 ( -8.282 1.705 4.083) 9.390 8.277 ( 4.301 -8.923 -15.728) 18.587 8.792 ( -7.150 0.711 18.085) 19.460 8.880 ( -10.925 -3.688 4.865) 12.515 9.082 ( 0.284 0.123 0.974) 1.022 9.128 ( -1.138 -4.856 -3.156) 5.902 9.169 ( -3.675 -3.390 5.379) 7.344 9.223 ( 0.476 -0.952 4.417) 4.544 9.330 ( 3.917 -1.268 -13.269) 13.894 9.365 ( 3.992 -2.385 -9.948) 10.981 9.525 ( -4.517 2.127 4.840) 6.953 9.853 ( -7.918 -5.976 8.324) 12.950 9.939 ( 12.055 6.417 -9.777) 16.796 10.143 ( -1.130 5.074 -11.950) 13.032 11.186 ( -0.382 -3.258 10.628) 11.123 11.330 ( -4.935 -1.243 12.417) 13.420 11.451 ( -5.304 0.050 1.708) 5.572 11.668 ( -0.885 5.262 3.410) 6.332 11.754 ( -1.484 0.379 1.006) 1.833 11.926 ( 4.582 1.930 4.122) 6.459 12.022 ( -6.707 -4.227 9.527) 12.394 12.311 ( 7.920 -3.142 1.962) 8.743 12.349 ( 7.308 -1.982 0.629) 7.598 12.481 ( -5.992 2.271 12.515) 14.060 12.512 ( 2.804 2.485 0.368) 3.765 12.770 ( -4.209 -3.827 2.791) 6.337 13.088 ( -9.994 -5.036 9.224) 14.502 13.205 ( -2.612 -1.609 1.971) 3.646 13.450 ( -7.992 6.957 5.020) 11.725 13.661 ( 10.686 -0.392 6.976) 12.768 13.722 ( 7.713 11.962 -17.479) 22.541 14.048 ( 11.308 6.172 -27.451) 30.323 14.505 ( -6.867 -4.827 -22.338) 23.863 15.222 ( 14.299 -24.445 -1.287) 28.349 17.600 ( -2.202 -1.021 4.634) 5.231 17.632 ( 0.001 1.282 1.183) 1.745 17.782 ( -6.180 -5.581 8.843) 12.147 18.020 ( 1.531 -11.202 1.629) 11.423 19.183 ( -2.551 7.971 -2.148) 8.641 19.379 ( 9.558 17.210 10.142) 22.145 19.520 ( 0.079 -1.328 -0.662) 1.486 19.542 ( 1.248 0.221 0.556) 1.384 19.678 ( -21.417 8.974 2.369) 23.342 20.634 ( -0.842 -5.057 12.245) 13.275 20.666 ( -10.485 2.217 -22.106) 24.567 20.840 ( 19.049 -1.664 -9.892) 21.529 ======================= Grid point 167 (91/108) ======================= q-point: ( 0.20 0.20 -0.57) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 5.111 0.080 -1.944) 5.469 2.051 ( 3.207 -1.889 -4.569) 5.893 2.305 ( 6.775 6.309 -3.593) 9.931 2.472 ( 3.388 -1.992 -1.610) 4.247 2.533 ( 11.293 -0.051 2.057) 11.479 2.696 ( 17.165 -0.260 0.259) 17.169 2.922 ( 8.428 -4.654 -18.174) 20.567 2.992 ( 1.711 -8.716 2.007) 9.106 3.186 ( -1.826 3.029 -2.551) 4.360 3.278 ( 4.409 1.994 6.110) 7.794 3.555 ( 2.107 6.371 -0.764) 6.754 3.835 ( -2.071 0.467 5.890) 6.261 3.877 ( -4.318 0.668 16.001) 16.586 4.070 ( -5.956 3.576 14.346) 15.940 4.264 ( -1.675 -0.216 11.563) 11.685 4.385 ( 8.790 2.859 -9.805) 13.475 4.489 ( -0.717 -8.955 6.882) 11.316 4.624 ( 2.604 -3.144 4.388) 5.994 4.744 ( -9.196 -14.298 4.391) 17.558 4.983 ( 6.621 5.717 -1.793) 8.929 5.166 ( 3.475 -0.264 13.889) 14.319 5.244 ( 2.107 -0.356 -9.309) 9.551 5.365 ( -3.327 8.027 1.018) 8.749 5.485 ( 3.485 0.361 -4.226) 5.490 5.570 ( -1.954 8.610 6.058) 10.707 5.983 ( 8.043 1.316 -17.025) 18.875 6.042 ( -0.906 -3.508 7.841) 8.637 6.334 ( 0.668 -4.922 -11.130) 12.188 6.483 ( -0.896 3.860 -2.933) 4.930 6.560 ( -10.223 10.492 3.186) 14.991 6.712 ( 4.236 2.925 -11.285) 12.404 6.885 ( -3.836 7.262 3.993) 9.132 7.021 ( -4.363 1.262 1.497) 4.782 7.074 ( 1.899 -1.847 -1.094) 2.865 7.329 ( -4.451 -0.319 7.209) 8.478 7.424 ( -4.092 -0.457 6.190) 7.434 7.567 ( -7.215 0.697 -1.802) 7.469 7.619 ( 2.130 1.090 -9.873) 10.159 7.782 ( -10.108 -5.233 4.758) 12.336 8.272 ( 6.884 -7.946 -16.193) 19.306 8.707 ( -9.375 -0.790 3.897) 10.184 8.780 ( -7.333 -0.616 18.539) 19.947 9.032 ( -4.830 -2.426 1.167) 5.530 9.103 ( -0.949 -3.246 1.565) 3.726 9.129 ( -4.885 -5.436 2.688) 7.788 9.226 ( -1.564 -1.041 -0.345) 1.910 9.275 ( 2.492 -0.871 -13.456) 13.713 9.398 ( 1.610 -0.608 -2.006) 2.643 9.510 ( 2.433 0.338 -2.330) 3.385 9.764 ( -7.498 -3.064 8.687) 11.878 9.980 ( -3.127 5.976 -13.274) 14.890 10.121 ( 10.218 5.446 -10.084) 15.354 11.180 ( -9.019 -3.643 9.722) 13.752 11.335 ( 0.801 -3.273 15.859) 16.213 11.528 ( 3.620 3.823 10.255) 11.527 11.676 ( 0.957 3.370 1.882) 3.977 11.788 ( 3.065 2.316 4.322) 5.783 11.971 ( -3.720 -7.068 0.749) 8.022 11.986 ( -4.452 4.406 14.673) 15.954 12.260 ( -9.788 2.553 5.441) 11.486 12.490 ( 8.092 -2.726 -3.065) 9.072 12.576 ( 0.762 -3.675 17.815) 18.206 12.602 ( 5.747 -3.302 -2.884) 7.228 12.856 ( -7.179 -5.097 17.461) 19.556 12.895 ( 2.019 8.078 5.886) 10.197 13.206 ( -1.749 -0.094 6.592) 6.821 13.390 ( 1.052 5.720 -3.812) 6.954 13.742 ( 5.734 12.040 -14.776) 19.904 13.887 ( 11.315 -5.935 -5.451) 13.892 14.140 ( 15.417 5.322 -21.300) 26.827 14.341 ( 5.708 -0.945 -27.487) 28.090 15.231 ( -8.857 -23.732 -10.434) 27.395 17.574 ( -5.002 0.214 8.232) 9.635 17.659 ( 3.725 1.592 -0.519) 4.083 17.785 ( -1.571 -4.275 9.247) 10.308 17.996 ( -4.104 -10.264 -0.870) 11.088 19.155 ( 0.136 4.745 -0.533) 4.777 19.341 ( -11.911 15.861 1.265) 19.875 19.496 ( -1.520 -5.288 -3.342) 6.438 19.559 ( 0.732 -0.402 0.178) 0.854 19.751 ( 15.097 9.669 17.003) 24.709 20.209 ( -15.736 12.785 -18.021) 27.126 20.655 ( -12.102 -6.396 18.363) 22.904 21.072 ( 15.090 -8.519 -18.270) 25.181 ======================= Grid point 168 (92/108) ======================= q-point: ( 0.30 0.20 -0.57) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 8.307 -0.935 -0.323) 8.366 2.134 ( 6.936 -1.284 0.245) 7.059 2.405 ( 7.126 6.145 -5.745) 11.025 2.526 ( 1.930 -1.837 2.975) 3.994 2.686 ( 3.386 0.879 -0.017) 3.499 2.845 ( 1.075 3.810 -4.888) 6.290 2.926 ( 1.000 -2.521 -5.110) 5.785 3.078 ( 9.226 -3.648 -8.714) 13.204 3.112 ( -3.838 5.152 -3.836) 7.483 3.363 ( 1.124 -2.941 -2.209) 3.846 3.637 ( 8.448 7.004 -2.074) 11.168 3.876 ( 1.276 -4.814 6.170) 7.929 3.974 ( 2.414 4.132 18.475) 19.085 4.054 ( -4.522 -2.808 14.173) 15.140 4.317 ( -1.905 0.068 12.288) 12.435 4.483 ( 6.034 -0.553 -4.480) 7.536 4.549 ( -1.524 -9.643 6.159) 11.543 4.653 ( -1.024 -2.401 4.625) 5.311 4.758 ( 5.225 -6.507 13.254) 15.663 4.992 ( -6.027 1.308 3.762) 7.224 5.199 ( 3.788 4.556 -14.158) 15.348 5.286 ( -3.914 8.408 3.480) 9.906 5.368 ( 3.513 4.701 8.035) 9.951 5.486 ( 5.474 4.544 -13.703) 15.440 5.640 ( 0.334 -4.974 14.799) 15.617 5.999 ( 3.826 -2.171 -14.090) 14.761 6.055 ( 0.337 -3.201 -0.549) 3.265 6.249 ( -1.708 -2.041 -9.543) 9.908 6.373 ( -2.928 6.340 -7.327) 10.122 6.498 ( -3.336 7.218 7.152) 10.695 6.696 ( 0.452 3.873 -8.573) 9.418 6.874 ( -2.149 10.970 3.384) 11.680 6.931 ( -2.566 -1.761 -1.503) 3.456 7.095 ( 2.804 -4.147 -5.276) 7.273 7.306 ( -3.201 -2.103 5.123) 6.397 7.378 ( -6.447 -0.492 6.020) 8.834 7.386 ( -7.969 -2.513 3.002) 8.879 7.592 ( -9.832 -2.798 5.644) 11.677 7.664 ( 6.467 0.958 -10.157) 12.079 8.233 ( 0.614 -5.149 -19.821) 20.488 8.597 ( -6.039 0.729 6.293) 8.752 8.769 ( -7.533 -0.712 19.373) 20.799 8.966 ( -5.090 -3.416 2.038) 6.460 9.028 ( -7.309 -3.115 7.180) 10.709 9.071 ( -1.393 -3.568 -2.038) 4.339 9.183 ( -1.984 -1.872 -2.108) 3.447 9.240 ( 3.007 0.199 -12.529) 12.887 9.428 ( 0.764 0.745 4.923) 5.037 9.570 ( 5.789 -0.559 -6.857) 8.991 9.688 ( -4.505 -0.849 3.863) 5.995 9.853 ( -0.663 2.720 -11.981) 12.304 10.154 ( 1.484 -3.057 -13.261) 13.689 11.188 ( 1.343 4.478 14.118) 14.872 11.381 ( -7.418 4.483 16.709) 18.823 11.672 ( 2.747 -4.447 10.215) 11.475 11.725 ( 1.015 -3.049 5.450) 6.327 11.817 ( -4.621 -4.259 6.391) 8.964 11.989 ( -3.482 4.695 15.237) 16.320 12.013 ( 8.884 2.309 -0.746) 9.210 12.232 ( 0.205 7.996 6.741) 10.460 12.422 ( -14.333 6.715 15.813) 22.373 12.660 ( -2.876 -2.653 15.988) 16.459 12.664 ( 2.377 -2.533 -1.452) 3.765 12.926 ( 7.347 -0.182 2.226) 7.679 13.123 ( 9.870 -4.015 1.232) 10.726 13.253 ( 3.648 0.742 8.264) 9.064 13.424 ( 4.281 1.517 -1.383) 4.747 13.736 ( 3.815 11.337 -12.643) 17.404 14.014 ( 9.370 -10.996 -13.745) 19.941 14.230 ( 9.624 0.913 -26.239) 27.963 14.344 ( 11.886 0.955 -21.548) 24.627 14.838 ( -18.106 -13.058 -22.218) 31.496 17.548 ( -4.060 2.182 9.798) 10.828 17.731 ( 2.649 -1.244 0.526) 2.973 17.818 ( -1.435 -3.449 7.912) 8.750 17.898 ( -3.734 -5.442 -2.147) 6.941 19.168 ( 0.995 3.315 0.315) 3.475 19.206 ( -3.851 8.353 0.790) 9.232 19.402 ( -4.374 -4.732 -6.176) 8.925 19.559 ( -1.424 -2.374 0.952) 2.927 19.872 ( -5.973 18.352 -8.685) 21.163 20.190 ( 12.056 5.462 23.319) 26.813 20.461 ( -19.341 -1.671 13.361) 23.567 21.174 ( 9.799 -12.902 -18.883) 24.880 ======================= Grid point 169 (93/108) ======================= q-point: ( 0.40 0.20 -0.57) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 9.375 -2.332 2.474) 9.972 2.281 ( 6.782 -0.978 2.438) 7.273 2.479 ( 3.354 4.061 -1.881) 5.593 2.582 ( 3.218 1.573 -1.333) 3.822 2.667 ( -4.070 2.151 0.002) 4.603 2.769 ( -6.353 5.740 1.801) 8.749 2.924 ( 1.256 1.302 -4.095) 4.476 3.005 ( -2.805 5.055 -2.312) 6.227 3.185 ( 8.059 -2.704 -11.618) 14.396 3.293 ( -4.469 -3.170 -1.828) 5.776 3.809 ( 10.349 1.671 -6.564) 12.368 3.877 ( -4.009 -6.126 2.753) 7.821 4.111 ( -2.311 -2.624 21.571) 21.852 4.225 ( 9.099 1.364 15.308) 17.860 4.328 ( -4.248 -4.394 6.905) 9.221 4.505 ( 0.900 0.774 -1.783) 2.142 4.579 ( -1.387 -1.852 6.504) 6.903 4.661 ( -1.696 -2.633 3.739) 4.878 4.842 ( -11.399 4.650 13.148) 18.012 4.982 ( 7.170 -2.471 0.406) 7.595 5.192 ( -1.794 8.949 -0.539) 9.143 5.238 ( 3.822 6.395 -0.137) 7.452 5.462 ( 1.287 -2.243 2.475) 3.580 5.509 ( 5.412 -0.877 -11.933) 13.132 5.738 ( 0.043 -2.701 9.923) 10.284 5.946 ( -1.676 -5.980 -2.442) 6.673 6.074 ( 6.777 -2.545 -13.820) 15.601 6.176 ( 1.500 -1.275 -9.398) 9.602 6.307 ( -0.661 5.635 -3.813) 6.836 6.482 ( -4.048 6.992 7.550) 11.057 6.597 ( -5.159 5.594 -5.633) 9.468 6.818 ( 0.773 8.189 -8.640) 11.930 6.927 ( -1.626 0.427 3.499) 3.882 7.096 ( 0.602 -5.399 -6.892) 8.776 7.277 ( 0.433 -8.652 1.501) 8.792 7.320 ( -4.196 0.524 6.531) 7.781 7.338 ( -1.502 0.600 9.009) 9.153 7.510 ( -5.919 -2.042 10.332) 12.081 7.718 ( 6.880 0.811 -11.596) 13.508 8.037 ( -5.037 -2.022 -21.963) 22.623 8.565 ( -2.222 1.317 7.455) 7.890 8.760 ( -7.861 -0.365 20.386) 21.852 8.836 ( -6.578 -2.293 -2.268) 7.326 8.989 ( -5.063 -4.910 11.580) 13.559 9.070 ( 2.959 -2.571 -2.146) 4.469 9.135 ( -2.411 -1.428 0.549) 2.856 9.219 ( 4.244 1.407 -13.689) 14.401 9.450 ( -1.238 1.715 0.181) 2.123 9.607 ( -1.327 4.052 6.694) 7.937 9.659 ( 2.413 -4.150 -7.165) 8.624 9.781 ( 0.874 1.256 -11.812) 11.911 10.068 ( 0.462 -5.751 -12.567) 13.828 11.297 ( -4.333 4.563 14.817) 16.098 11.416 ( 2.546 6.036 18.586) 19.707 11.698 ( -4.174 -5.612 4.665) 8.407 11.759 ( -5.958 -3.984 16.430) 17.925 11.825 ( 3.077 -4.399 -1.699) 5.631 12.051 ( 0.913 5.043 5.106) 7.234 12.187 ( -3.575 4.814 5.297) 8.001 12.233 ( 4.416 2.660 9.618) 10.912 12.370 ( -4.641 7.526 23.440) 25.052 12.683 ( 1.314 -1.263 -1.878) 2.617 12.743 ( -0.361 1.668 17.048) 17.133 13.007 ( 0.491 1.601 -0.521) 1.754 13.227 ( 9.040 -1.848 -15.808) 18.304 13.431 ( 3.131 -2.926 12.755) 13.455 13.516 ( 4.010 -1.525 3.055) 5.267 13.744 ( 4.616 8.301 -5.011) 10.739 14.034 ( 3.606 -14.076 -17.688) 22.891 14.229 ( 10.624 1.355 -28.507) 30.452 14.341 ( -7.864 -2.590 -26.814) 28.064 14.399 ( 1.656 -1.883 -20.933) 21.083 17.554 ( -2.776 2.444 10.694) 11.316 17.742 ( -0.825 -0.821 -0.549) 1.287 17.827 ( -2.949 -2.667 6.499) 7.618 17.859 ( 0.100 -3.002 -0.538) 3.051 19.176 ( -0.137 3.214 0.395) 3.242 19.187 ( 0.174 2.857 0.346) 2.883 19.331 ( 2.436 0.267 -3.705) 4.442 19.510 ( -4.901 -5.383 1.617) 7.458 19.805 ( 2.786 17.665 -3.805) 18.284 20.150 ( -19.897 6.630 7.288) 22.203 20.523 ( 5.372 -2.591 24.190) 24.915 21.201 ( 7.146 -14.368 -19.369) 25.152 ======================= Grid point 170 (94/108) ======================= q-point: (-0.50 0.20 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 3.087 -5.464 2.515) 6.761 2.386 ( 1.295 -2.848 0.764) 3.221 2.521 ( 1.499 2.100 1.049) 2.786 2.563 ( -4.639 1.696 -1.947) 5.309 2.635 ( 2.869 3.533 1.735) 4.871 2.684 ( -3.588 2.336 3.649) 5.626 2.886 ( -0.728 0.886 -4.683) 4.821 2.967 ( -0.751 3.025 -7.294) 7.932 3.186 ( -4.652 -3.052 0.774) 5.618 3.256 ( 3.516 -0.381 -4.051) 5.378 3.779 ( -7.569 -1.497 6.988) 10.410 3.932 ( 4.844 1.693 -5.010) 7.171 4.186 ( -5.692 0.390 20.783) 21.552 4.275 ( -5.832 -0.841 9.219) 10.941 4.379 ( 0.152 1.113 2.537) 2.775 4.537 ( -4.438 0.944 2.825) 5.345 4.622 ( 3.211 -2.175 5.656) 6.858 4.666 ( 10.144 -0.826 -5.078) 11.374 4.775 ( -4.042 4.408 10.229) 11.849 5.049 ( 5.068 0.681 -9.730) 10.992 5.144 ( -7.284 3.593 12.218) 14.671 5.357 ( -1.078 -6.331 -1.907) 6.700 5.429 ( 1.389 3.419 3.241) 4.912 5.551 ( 5.494 -2.237 -9.269) 11.005 5.741 ( -5.232 -1.364 6.302) 8.303 5.927 ( -0.118 -7.040 0.045) 7.041 6.109 ( 6.037 -1.172 -14.922) 16.139 6.162 ( 2.441 -5.395 -10.615) 12.155 6.324 ( 4.428 7.627 2.548) 9.180 6.413 ( -2.769 8.138 -4.357) 9.637 6.518 ( -3.270 9.546 7.847) 12.782 6.792 ( 3.373 7.051 -13.767) 15.831 6.909 ( -2.555 -2.464 5.361) 6.429 7.050 ( 0.198 -5.649 -5.930) 8.192 7.284 ( -3.692 -1.257 5.205) 6.504 7.313 ( -2.534 -3.013 9.546) 10.326 7.439 ( 5.258 0.155 4.125) 6.685 7.486 ( -3.209 -2.021 10.604) 11.262 7.750 ( 3.694 0.078 -12.792) 13.315 7.828 ( 1.328 1.422 -19.978) 20.073 8.617 ( 2.209 0.581 7.881) 8.205 8.722 ( -3.383 -0.355 -2.266) 4.088 8.755 ( -7.052 -1.220 19.201) 20.492 8.987 ( -2.137 -6.154 7.201) 9.711 9.098 ( -0.982 -1.473 0.677) 1.895 9.134 ( 2.130 -4.287 2.903) 5.598 9.218 ( 4.399 1.850 -10.393) 11.437 9.411 ( 0.506 -0.188 -8.246) 8.264 9.555 ( -3.220 -1.464 -0.532) 3.577 9.719 ( 1.517 1.819 -0.560) 2.433 9.747 ( 3.347 2.456 -1.749) 4.505 9.987 ( -0.707 1.075 -13.214) 13.277 11.337 ( -2.507 -2.816 18.784) 19.159 11.589 ( 1.782 1.931 4.821) 5.491 11.635 ( -6.251 -2.915 14.881) 16.402 11.745 ( -5.018 -2.574 11.746) 13.030 11.858 ( 0.901 0.487 -1.565) 1.870 11.986 ( -1.489 0.882 -9.258) 9.419 12.208 ( -5.271 6.552 23.664) 25.114 12.334 ( -4.373 5.737 13.217) 15.057 12.522 ( 5.403 -1.017 8.235) 9.901 12.699 ( 0.569 -1.547 4.126) 4.443 12.826 ( -2.169 -1.279 5.520) 6.067 12.989 ( -1.737 5.518 9.447) 11.078 13.282 ( 13.242 0.742 -28.351) 31.300 13.510 ( -2.974 -2.798 14.672) 15.229 13.583 ( 2.108 -1.962 -1.592) 3.291 13.801 ( -1.506 -1.862 -2.707) 3.614 13.921 ( -1.543 -3.297 -9.972) 10.615 14.039 ( -0.992 -2.041 -21.620) 21.739 14.238 ( 4.857 0.750 -22.582) 23.111 14.344 ( 8.332 0.082 -25.428) 26.758 17.584 ( -2.001 2.001 10.936) 11.297 17.719 ( -0.636 0.970 -1.985) 2.299 17.803 ( -4.207 -2.834 7.059) 8.692 17.866 ( 0.373 -2.371 0.648) 2.486 19.182 ( -0.029 2.515 0.186) 2.522 19.190 ( 0.690 2.575 -0.523) 2.717 19.395 ( -7.540 -5.748 1.882) 9.666 19.431 ( 7.152 -4.626 -1.601) 8.667 19.864 ( -12.157 13.757 3.917) 18.772 19.932 ( 12.658 17.737 -2.563) 21.941 20.717 ( -1.033 -8.168 21.909) 23.405 21.176 ( 4.610 -12.742 -21.759) 25.633 ======================= Grid point 171 (95/108) ======================= q-point: (-0.40 0.20 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -9.328 -4.390 -4.313) 11.175 2.309 ( -8.556 -1.541 0.394) 8.702 2.477 ( -4.960 1.623 -1.051) 5.324 2.581 ( 0.795 -4.179 -1.572) 4.535 2.649 ( 1.009 1.490 1.829) 2.566 2.756 ( 4.447 2.613 6.346) 8.178 2.861 ( -3.455 -4.186 -3.230) 6.316 2.899 ( 0.708 -2.572 7.876) 8.316 3.063 ( -8.815 -1.076 0.714) 8.909 3.303 ( 3.180 -0.068 -2.645) 4.137 3.688 ( -7.657 8.758 3.939) 12.282 3.922 ( -1.845 3.236 1.082) 3.879 4.191 ( -6.142 4.036 14.374) 16.144 4.207 ( -8.488 4.767 11.532) 15.092 4.424 ( 0.239 2.328 -0.517) 2.397 4.512 ( 2.798 -3.547 -0.469) 4.542 4.615 ( 0.932 -5.145 -5.326) 7.464 4.789 ( -2.226 1.571 8.899) 9.306 4.904 ( 10.414 -4.418 -4.798) 12.288 5.051 ( -5.106 0.084 6.372) 8.165 5.105 ( 0.492 -0.606 -4.494) 4.561 5.204 ( -7.569 -5.393 5.685) 10.895 5.501 ( 0.705 3.495 -3.629) 5.087 5.564 ( 1.754 -2.787 -8.349) 8.976 5.689 ( -1.938 -1.453 5.119) 5.663 5.920 ( -3.461 -8.310 7.351) 11.622 6.083 ( 3.864 0.702 -18.419) 18.833 6.142 ( 3.583 -1.162 -7.411) 8.313 6.341 ( 1.320 11.206 -4.740) 12.238 6.484 ( 1.927 6.011 2.753) 6.886 6.586 ( 6.458 11.357 9.971) 16.435 6.730 ( 1.464 5.899 -13.592) 14.889 6.924 ( -0.542 -2.538 6.746) 7.228 7.023 ( -0.479 -2.342 -3.286) 4.063 7.241 ( -2.088 -8.249 1.907) 8.720 7.339 ( -0.940 -2.707 8.987) 9.433 7.484 ( -1.505 0.601 6.512) 6.710 7.601 ( 5.336 3.764 5.790) 8.727 7.691 ( 2.916 2.766 -12.966) 13.574 7.837 ( 8.042 -0.761 -13.739) 15.938 8.670 ( 0.411 -0.200 -3.014) 3.048 8.757 ( 5.034 0.403 8.575) 9.951 8.762 ( -5.087 -1.833 18.028) 18.821 8.988 ( -2.051 -6.027 3.979) 7.507 9.115 ( 2.291 -1.520 2.083) 3.449 9.174 ( 0.807 -5.421 -1.079) 5.586 9.238 ( 2.711 0.293 -4.100) 4.924 9.359 ( 1.367 -1.161 -12.219) 12.350 9.546 ( -0.205 1.501 6.763) 6.931 9.740 ( 5.198 3.641 -6.828) 9.322 9.808 ( 0.444 -0.608 1.152) 1.376 9.883 ( -0.675 2.626 -7.142) 7.640 11.430 ( -3.367 -4.837 18.846) 19.746 11.511 ( -5.088 -0.576 -0.282) 5.129 11.630 ( -5.605 -8.550 8.838) 13.514 11.728 ( -3.362 5.308 2.390) 6.722 11.894 ( 1.534 5.608 4.330) 7.249 11.967 ( 2.216 -8.354 0.450) 8.654 12.193 ( -8.577 6.501 8.465) 13.692 12.365 ( -3.287 6.977 20.938) 22.313 12.492 ( -6.263 -4.345 -4.657) 8.933 12.722 ( -6.597 3.395 -0.994) 7.486 12.819 ( 1.151 2.394 10.084) 10.428 13.096 ( 4.862 -3.783 4.023) 7.358 13.366 ( 12.568 5.456 -17.404) 22.150 13.510 ( 3.493 -2.787 -21.238) 21.703 13.595 ( -2.972 -5.653 12.486) 14.024 13.664 ( -10.319 -0.166 9.114) 13.769 13.833 ( -2.610 -4.232 -13.652) 14.530 13.983 ( 0.771 0.194 -0.312) 0.854 14.124 ( 2.083 6.070 -20.132) 21.130 14.399 ( 13.304 -2.144 -20.887) 24.857 17.624 ( -1.573 0.200 10.546) 10.664 17.693 ( -0.407 1.505 -2.506) 2.951 17.771 ( -4.436 -3.324 7.934) 9.679 17.881 ( 0.286 -2.086 1.534) 2.605 19.179 ( -0.020 3.645 0.201) 3.651 19.202 ( 0.992 0.904 -1.116) 1.745 19.272 ( -4.961 0.208 1.790) 5.279 19.534 ( 3.841 -4.477 -0.692) 5.939 19.726 ( -5.003 13.295 3.717) 14.683 20.276 ( 24.075 10.687 -4.302) 26.689 20.797 ( -4.657 -10.555 19.159) 22.364 21.057 ( -0.649 -7.756 -26.474) 27.594 ======================= Grid point 172 (96/108) ======================= q-point: (-0.30 0.20 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -12.183 -2.220 -1.733) 12.505 2.134 ( -10.525 -0.238 2.549) 10.832 2.277 ( -13.047 4.054 2.615) 13.910 2.537 ( -4.918 0.875 -0.014) 4.995 2.687 ( -2.635 -3.577 2.669) 5.184 2.764 ( -6.179 -1.475 0.875) 6.413 2.844 ( -8.421 2.411 8.045) 11.894 2.928 ( 3.404 -3.459 0.146) 4.855 3.033 ( 6.224 -3.459 6.587) 9.700 3.343 ( 2.600 -2.476 -0.898) 3.701 3.548 ( -7.823 4.960 3.681) 9.967 3.919 ( -3.484 3.556 8.221) 9.611 4.124 ( -7.719 4.723 3.986) 9.888 4.163 ( -2.100 1.499 4.278) 4.996 4.353 ( -4.080 4.634 -4.817) 7.831 4.518 ( -4.721 -2.302 4.455) 6.887 4.611 ( 2.806 -4.269 -9.700) 10.963 4.788 ( -5.262 0.649 10.777) 12.011 4.924 ( -3.865 -7.326 -7.294) 11.037 4.969 ( -5.595 1.947 3.402) 6.831 5.028 ( -0.788 1.455 4.850) 5.125 5.322 ( 10.407 -8.795 -4.776) 14.439 5.430 ( -2.459 5.397 -4.931) 7.713 5.525 ( 0.056 -1.504 -7.618) 7.765 5.717 ( -0.191 -0.232 3.630) 3.643 5.916 ( -4.700 -11.445 16.286) 20.452 6.038 ( 6.277 1.760 -21.266) 22.243 6.194 ( 6.077 0.242 -7.362) 9.549 6.337 ( 1.423 12.743 -2.789) 13.122 6.503 ( -3.006 7.233 8.866) 11.830 6.677 ( 4.182 6.931 -3.921) 8.995 6.846 ( 11.766 3.328 -3.031) 12.598 6.952 ( -1.777 -2.152 2.849) 3.988 6.995 ( 1.425 2.747 -0.248) 3.105 7.249 ( 0.841 -8.104 3.074) 8.708 7.423 ( 4.255 -3.616 7.260) 9.160 7.481 ( -1.975 1.722 3.101) 4.060 7.672 ( 5.429 3.467 -10.207) 12.070 7.738 ( 4.762 3.096 -0.129) 5.682 7.915 ( 6.238 -0.262 -3.961) 7.394 8.685 ( 3.396 0.671 -2.985) 4.571 8.769 ( -7.120 0.582 20.396) 21.611 8.941 ( 7.155 -3.965 2.616) 8.588 8.978 ( -1.831 -5.264 8.440) 10.114 9.158 ( -0.306 -4.701 -3.069) 5.622 9.197 ( 4.287 -1.868 1.603) 4.944 9.234 ( -2.154 -0.644 -3.126) 3.851 9.314 ( 4.102 -1.776 -9.899) 10.861 9.612 ( 1.993 2.928 6.860) 7.721 9.758 ( 2.021 3.480 -13.533) 14.119 9.826 ( 7.195 3.045 -4.314) 8.924 9.912 ( 0.601 -2.937 7.059) 7.670 11.351 ( -7.209 2.856 3.054) 8.334 11.517 ( -3.493 -6.775 11.210) 13.556 11.596 ( -4.502 -6.149 8.473) 11.396 11.726 ( 4.494 2.286 -1.860) 5.374 11.858 ( -6.138 -7.085 -1.865) 9.558 11.940 ( -8.927 6.851 4.220) 12.018 12.175 ( 3.930 -2.494 4.159) 6.241 12.358 ( -5.302 2.630 -0.531) 5.942 12.449 ( -1.736 8.038 9.310) 12.422 12.543 ( -12.544 7.112 10.214) 17.671 12.813 ( -9.426 2.141 9.354) 13.451 13.185 ( 8.618 -9.619 -14.403) 19.345 13.372 ( -3.561 -1.272 -20.957) 21.296 13.454 ( 4.944 3.231 -10.055) 11.661 13.510 ( -3.131 -2.014 -14.453) 14.925 13.607 ( -8.090 -5.570 17.496) 20.064 13.766 ( 2.854 1.847 -0.876) 3.510 13.982 ( -0.276 0.243 -1.642) 1.683 14.117 ( 6.346 3.728 -9.945) 12.372 14.600 ( 20.349 -6.472 -6.032) 22.189 17.645 ( -3.995 -1.752 7.218) 8.434 17.677 ( -0.106 1.561 -0.980) 1.846 17.766 ( -1.279 -5.368 10.684) 12.025 17.890 ( -0.346 -2.717 0.989) 2.912 19.186 ( -0.858 1.491 -1.170) 2.080 19.211 ( 2.901 6.059 0.262) 6.723 19.280 ( 3.231 -0.311 4.647) 5.669 19.569 ( 0.245 -1.963 0.021) 1.978 19.719 ( 0.816 14.498 6.192) 15.786 20.657 ( 11.210 -3.472 1.571) 11.840 20.765 ( -9.916 1.503 -31.199) 32.771 20.852 ( 6.174 -5.388 5.292) 9.755 ======================= Grid point 173 (97/108) ======================= q-point: (-0.20 0.20 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -10.655 -0.251 6.038) 12.249 1.975 ( -8.060 -0.223 4.275) 9.127 2.114 ( -7.909 10.457 9.220) 16.028 2.401 ( -10.781 2.101 4.133) 11.736 2.518 ( -17.301 4.480 12.770) 21.965 2.619 ( -7.881 -2.537 -3.108) 8.844 2.738 ( -5.137 3.577 -0.015) 6.260 3.052 ( 5.886 -3.511 -1.638) 7.047 3.163 ( 4.691 -1.482 -0.105) 4.921 3.368 ( 0.026 -3.919 -2.465) 4.630 3.503 ( 0.436 -4.617 5.408) 7.124 3.884 ( -11.547 3.393 24.751) 27.522 3.948 ( -7.481 -1.334 -6.598) 10.064 4.160 ( -0.158 -0.962 -3.652) 3.780 4.279 ( -0.870 2.111 -0.424) 2.322 4.472 ( -1.933 2.307 2.221) 3.740 4.548 ( -3.149 -3.392 -9.596) 10.654 4.712 ( -9.929 5.152 7.580) 13.512 4.779 ( -2.603 -8.239 -5.027) 9.996 4.961 ( 1.490 0.416 1.575) 2.207 5.073 ( 0.271 2.988 6.233) 6.917 5.373 ( -0.151 -4.877 -2.883) 5.668 5.400 ( 0.111 8.506 -5.502) 10.131 5.474 ( 3.372 1.830 -13.326) 13.867 5.704 ( -3.199 -2.092 1.599) 4.144 5.965 ( -2.432 -12.056 15.678) 19.926 6.032 ( 6.003 0.386 -16.693) 17.744 6.234 ( 4.633 -1.356 -9.212) 10.400 6.414 ( 7.124 7.144 2.094) 10.304 6.501 ( -3.371 6.196 8.619) 11.137 6.740 ( 4.851 6.279 -8.245) 11.443 6.899 ( -0.657 -2.113 2.085) 3.041 6.977 ( 2.345 -3.350 -1.061) 4.225 7.113 ( 9.169 9.342 -1.694) 13.199 7.291 ( -0.026 -0.381 3.181) 3.204 7.427 ( -3.683 1.158 3.391) 5.139 7.621 ( 8.399 -3.484 6.607) 11.240 7.710 ( 4.305 -0.432 -5.684) 7.143 7.846 ( 9.179 1.079 -3.317) 9.819 7.973 ( 1.310 -0.525 -1.769) 2.263 8.755 ( 5.621 0.992 -1.618) 5.933 8.779 ( -6.616 1.596 21.907) 22.940 8.946 ( -8.064 -5.746 12.268) 15.766 9.022 ( -3.634 -5.502 6.967) 9.593 9.163 ( 5.565 -1.139 -11.834) 13.126 9.222 ( 6.158 0.631 -3.794) 7.260 9.283 ( 3.890 -2.022 -1.370) 4.593 9.365 ( 5.806 -6.176 -5.577) 10.146 9.680 ( 2.693 2.502 -4.663) 5.938 9.769 ( 6.126 3.673 -0.715) 7.179 9.901 ( -3.898 2.685 8.436) 9.674 9.960 ( 7.007 -0.793 -8.004) 10.667 11.302 ( 1.018 1.092 1.187) 1.907 11.459 ( -9.998 -3.553 11.409) 15.581 11.601 ( 0.154 1.148 3.423) 3.613 11.668 ( -6.459 -4.412 -8.052) 11.226 11.785 ( -9.269 8.709 1.778) 12.842 11.876 ( 6.336 -4.993 4.288) 9.136 12.187 ( -7.154 5.818 3.778) 9.965 12.274 ( -4.615 -3.248 1.866) 5.944 12.389 ( -1.856 2.001 8.720) 9.137 12.527 ( -3.253 6.515 2.203) 7.608 12.649 ( -13.555 1.985 17.711) 22.391 13.064 ( -14.895 1.538 -5.340) 15.898 13.237 ( 3.088 -9.955 -10.725) 14.955 13.393 ( 6.250 -1.130 -27.597) 28.318 13.475 ( 2.398 0.570 -6.100) 6.580 13.558 ( -5.877 0.491 9.589) 11.257 13.876 ( 8.413 -0.425 -6.895) 10.886 13.960 ( 1.065 0.847 1.753) 2.219 14.140 ( 7.547 4.063 -21.318) 22.976 15.054 ( 23.053 -23.499 5.368) 33.354 17.565 ( -8.737 -0.266 7.456) 11.489 17.680 ( 1.394 1.268 -0.927) 2.101 17.858 ( 0.711 -9.833 8.023) 12.711 17.894 ( 1.191 -6.343 3.452) 7.319 19.157 ( -1.016 2.179 -0.851) 2.551 19.331 ( 9.681 11.426 1.989) 15.107 19.400 ( 4.502 -4.584 5.364) 8.369 19.552 ( -1.837 -0.106 0.917) 2.056 19.857 ( 7.043 13.191 11.283) 18.732 20.277 ( -17.595 17.097 -29.723) 38.540 20.653 ( -12.472 -7.462 15.706) 21.399 21.105 ( 18.212 -4.263 -17.540) 25.641 ======================= Grid point 174 (98/108) ======================= q-point: (-0.10 0.20 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -3.118 2.146 12.776) 13.325 1.914 ( -2.266 -0.490 6.781) 7.166 2.068 ( -6.578 14.872 11.102) 19.690 2.244 ( -7.617 2.742 1.614) 8.254 2.333 ( -10.735 2.802 19.679) 22.591 2.442 ( -7.251 -2.071 -3.225) 8.201 2.631 ( -2.569 6.937 -10.204) 12.604 3.048 ( -2.726 -1.770 -7.210) 7.909 3.229 ( 2.495 -2.629 -0.225) 3.632 3.329 ( -0.379 -0.826 -3.972) 4.074 3.601 ( 5.583 -8.971 1.861) 10.729 3.811 ( -7.197 7.085 17.264) 20.001 3.869 ( -6.268 -8.835 10.956) 15.407 4.136 ( 1.964 -1.739 -6.309) 6.833 4.212 ( -9.440 1.323 1.656) 9.675 4.404 ( -4.999 0.164 4.083) 6.457 4.466 ( 2.527 1.159 -10.216) 10.587 4.616 ( -6.554 -0.874 10.184) 12.142 4.758 ( 3.070 -8.817 -5.046) 10.612 5.030 ( 3.950 -0.340 2.555) 4.717 5.083 ( -4.406 4.496 7.535) 9.818 5.246 ( -5.054 0.004 -9.979) 11.186 5.438 ( 5.341 6.190 -13.799) 16.039 5.463 ( 2.897 8.542 0.201) 9.022 5.626 ( -5.713 -2.664 1.426) 6.463 5.990 ( 5.671 4.396 -20.109) 21.351 6.031 ( -5.153 -13.672 15.901) 21.595 6.268 ( 6.044 -2.335 -9.553) 11.543 6.490 ( -3.063 5.449 8.013) 10.163 6.581 ( 8.107 1.184 -2.456) 8.554 6.756 ( 3.582 4.216 -3.748) 6.682 6.946 ( 1.207 3.324 4.816) 5.975 6.999 ( 1.247 -3.086 -0.993) 3.473 7.207 ( 1.001 10.813 -9.098) 14.167 7.299 ( 1.911 1.709 8.250) 8.639 7.420 ( 0.390 -0.273 4.102) 4.129 7.667 ( 3.048 2.331 -14.531) 15.029 7.788 ( -13.231 -4.123 20.837) 25.025 7.922 ( 6.437 -5.734 -3.807) 9.424 8.086 ( 15.320 -1.702 -11.742) 19.377 8.830 ( -5.212 0.909 21.746) 22.380 8.859 ( -8.259 -1.678 20.452) 22.120 8.878 ( 6.211 0.433 2.983) 6.904 9.050 ( 2.916 -3.004 1.042) 4.314 9.183 ( 5.386 -1.296 -11.629) 12.882 9.280 ( 1.353 -1.060 -4.458) 4.778 9.310 ( 0.808 -1.513 -4.051) 4.399 9.430 ( 4.168 -8.018 -5.207) 10.430 9.696 ( 1.834 2.667 -3.379) 4.679 9.786 ( -4.684 6.342 -1.523) 8.030 9.930 ( 2.108 1.662 6.024) 6.595 10.049 ( 9.025 -6.015 -9.159) 14.195 11.290 ( -7.850 0.417 4.489) 9.053 11.437 ( 3.844 1.839 1.634) 4.564 11.497 ( -5.307 -0.456 -5.604) 7.731 11.609 ( -2.676 4.432 7.094) 8.782 11.701 ( 2.165 6.662 1.578) 7.181 11.952 ( -4.765 -1.543 10.984) 12.072 12.112 ( -13.264 -2.930 6.649) 15.124 12.184 ( 4.740 -3.364 -1.746) 6.069 12.349 ( -9.078 10.971 5.482) 15.258 12.499 ( -0.389 -2.976 -2.723) 4.053 12.560 ( -8.177 -4.150 11.576) 14.768 12.861 ( -2.511 7.061 7.241) 10.421 13.163 ( -5.226 -9.332 -6.521) 12.527 13.335 ( 3.138 -1.687 -16.246) 16.632 13.462 ( -3.110 0.311 5.211) 6.077 13.547 ( 0.558 2.554 1.396) 2.963 13.825 ( -2.555 4.883 -8.743) 10.335 14.088 ( 9.425 2.419 -26.438) 28.172 14.284 ( 25.265 -3.045 -7.750) 26.602 15.289 ( -2.325 -34.476 -6.384) 35.139 17.485 ( -4.323 2.513 10.114) 11.283 17.704 ( 0.712 -0.426 -0.464) 0.951 17.869 ( 0.669 -5.211 0.896) 5.330 17.959 ( -2.212 -17.071 7.548) 18.796 19.148 ( 0.392 4.603 0.950) 4.716 19.474 ( 1.446 -4.228 3.279) 5.543 19.495 ( -2.392 3.767 0.835) 4.539 19.597 ( -2.777 -0.563 -1.355) 3.140 19.811 ( 12.089 36.726 -14.469) 41.283 20.204 ( 11.022 7.658 16.763) 21.474 20.451 ( -19.778 -1.941 13.869) 24.233 21.207 ( 7.327 -5.996 -24.624) 26.382 ======================= Grid point 175 (99/108) ======================= q-point: ( 0.00 0.40 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 3.389 0.816 5.718) 6.696 1.922 ( 2.019 -1.398 2.905) 3.804 2.181 ( -3.246 4.621 1.956) 5.976 2.236 ( -1.664 -1.455 -3.471) 4.115 2.346 ( -5.374 11.216 13.192) 18.130 2.516 ( 1.229 -2.856 8.384) 8.942 2.701 ( 0.470 8.791 -12.737) 15.484 2.853 ( 1.990 -5.419 -18.036) 18.937 3.220 ( -4.211 0.562 11.041) 11.830 3.290 ( -1.123 -2.697 5.269) 6.025 3.515 ( 0.580 -3.333 0.808) 3.479 3.584 ( 7.988 -9.383 -4.485) 13.113 3.959 ( -7.643 4.588 14.045) 16.636 4.058 ( -2.807 -5.181 4.063) 7.158 4.228 ( -4.566 10.332 6.834) 13.203 4.395 ( 1.568 -4.666 -2.717) 5.623 4.474 ( 2.873 3.758 -1.249) 4.893 4.564 ( -2.244 1.314 -6.026) 6.563 4.690 ( 2.108 -3.159 8.980) 9.749 4.826 ( -6.108 -11.293 -4.990) 13.774 5.096 ( -4.958 7.260 10.588) 13.762 5.245 ( -4.390 -2.645 7.503) 9.086 5.532 ( -0.998 4.481 0.995) 4.697 5.561 ( 1.519 3.856 -11.878) 12.580 5.720 ( 5.282 3.595 1.603) 6.587 5.799 ( -1.238 -7.383 13.171) 15.150 6.096 ( 5.728 6.061 -20.652) 22.273 6.215 ( 7.391 -6.222 -18.466) 20.841 6.606 ( -2.234 6.597 6.336) 9.415 6.699 ( 2.844 0.485 -2.859) 4.062 6.823 ( 1.521 -2.578 0.683) 3.070 6.857 ( 2.317 -3.791 -2.535) 5.115 7.248 ( 0.006 10.912 7.618) 13.308 7.312 ( -6.806 7.964 4.424) 11.371 7.414 ( -2.458 -5.210 10.220) 11.731 7.478 ( -3.320 -4.353 5.098) 7.480 7.598 ( -0.625 9.981 -2.912) 10.416 7.752 ( 4.939 11.023 -13.411) 18.049 7.852 ( 1.894 -10.409 -0.059) 10.580 8.033 ( 5.764 -13.968 -11.950) 19.265 8.825 ( -8.925 0.486 19.370) 21.333 8.851 ( -7.671 -1.932 18.178) 19.825 9.036 ( 4.950 0.734 2.306) 5.510 9.064 ( 2.514 -2.219 3.981) 5.205 9.184 ( 1.706 1.476 -6.824) 7.188 9.232 ( -2.008 -1.706 -2.741) 3.802 9.261 ( 5.162 -0.244 -11.576) 12.677 9.302 ( 5.549 -4.007 -13.984) 15.569 9.728 ( -11.835 6.840 7.064) 15.386 9.857 ( -8.762 -3.920 7.177) 11.986 9.905 ( 9.092 4.567 -7.946) 12.910 10.043 ( 11.925 -7.171 -8.865) 16.499 11.311 ( -4.652 4.890 8.154) 10.585 11.361 ( -8.552 1.748 3.192) 9.294 11.503 ( 1.760 -2.718 3.716) 4.929 11.551 ( -8.083 -4.911 -0.799) 9.491 11.845 ( -1.169 7.420 7.274) 10.457 11.950 ( 0.703 2.575 0.732) 2.768 12.033 ( -1.611 -1.892 2.371) 3.435 12.146 ( 1.721 -8.377 -4.426) 9.630 12.392 ( -3.598 7.497 7.480) 11.184 12.469 ( 2.082 4.250 1.528) 4.973 12.560 ( -3.611 3.380 10.776) 11.857 12.757 ( -8.436 -11.023 -2.210) 14.056 13.055 ( -0.291 4.568 5.646) 7.268 13.177 ( -3.574 -6.253 -0.961) 7.266 13.509 ( -1.095 2.008 12.567) 12.773 13.547 ( -2.961 -1.452 10.814) 11.305 14.023 ( 8.749 16.484 -14.886) 23.871 14.213 ( 9.084 10.014 -24.607) 28.077 14.407 ( 11.715 -18.389 -8.010) 23.228 14.541 ( 3.293 -18.576 -18.144) 26.175 17.569 ( -2.457 2.921 10.263) 10.950 17.652 ( -3.588 -3.998 6.215) 8.215 17.734 ( -1.330 -0.066 1.999) 2.402 17.807 ( 2.016 -5.680 -1.169) 6.139 19.373 ( 5.667 6.247 5.476) 10.056 19.445 ( -1.602 0.616 0.011) 1.717 19.496 ( -0.590 0.603 1.107) 1.392 19.524 ( -2.064 -0.680 -0.618) 2.260 20.239 ( -15.143 7.867 14.841) 22.615 20.375 ( -1.356 -4.170 17.730) 18.264 20.678 ( 14.292 13.731 -20.467) 28.490 20.919 ( 2.082 -8.990 -26.905) 28.443 ======================= Grid point 176 (100/108) ======================= q-point: ( 0.10 0.40 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 0.263 2.785 -2.176) 3.544 1.981 ( 2.669 -2.919 -3.796) 5.482 2.256 ( 4.747 2.163 7.103) 8.813 2.288 ( 6.723 -0.104 3.755) 7.701 2.414 ( 4.161 4.719 13.411) 14.813 2.507 ( -2.081 -1.457 0.506) 2.590 2.740 ( 6.449 -0.567 -1.874) 6.740 2.808 ( 6.060 -5.426 -15.648) 17.636 3.247 ( -0.051 4.035 10.025) 10.807 3.296 ( -0.590 1.040 -0.083) 1.199 3.570 ( 6.320 3.437 -4.486) 8.478 3.723 ( 9.055 -9.684 -6.125) 14.605 3.929 ( -5.080 5.117 13.633) 15.423 4.051 ( -1.935 -7.168 7.749) 10.732 4.184 ( -6.879 7.835 12.695) 16.427 4.393 ( -2.934 -10.833 1.230) 11.290 4.467 ( 1.601 4.898 -8.844) 10.236 4.520 ( 1.154 2.373 -0.808) 2.760 4.714 ( -3.823 -2.261 0.684) 4.494 4.837 ( 2.171 -9.575 14.127) 17.203 5.078 ( -2.565 8.171 7.390) 11.312 5.215 ( -3.562 -2.772 7.330) 8.608 5.521 ( 1.817 5.027 -8.824) 10.316 5.542 ( 0.777 2.847 1.002) 3.117 5.800 ( 1.794 6.217 2.059) 6.790 5.871 ( 1.463 -4.273 8.205) 9.366 6.062 ( 5.876 5.950 -21.305) 22.887 6.217 ( 6.786 -8.731 -21.298) 23.997 6.603 ( -1.423 6.016 2.509) 6.671 6.711 ( 0.121 -2.661 -2.446) 3.616 6.805 ( 0.294 3.169 -5.877) 6.684 6.907 ( 3.127 -5.456 -2.943) 6.943 7.206 ( -8.048 8.266 6.588) 13.285 7.267 ( -5.075 12.369 9.608) 16.464 7.335 ( -6.017 -3.310 8.479) 10.912 7.523 ( -1.190 -7.030 5.130) 8.784 7.557 ( -3.891 6.569 1.355) 7.755 7.760 ( 2.353 7.229 -11.453) 13.747 7.797 ( -4.678 -4.272 -2.580) 6.840 8.034 ( 4.767 -13.456 -14.366) 20.253 8.778 ( -9.119 -1.284 16.890) 19.238 8.800 ( -9.201 -3.024 13.717) 16.791 9.041 ( -3.721 -0.639 -0.477) 3.805 9.067 ( -3.420 -2.222 -0.708) 4.140 9.174 ( 0.002 2.076 -0.826) 2.235 9.210 ( -0.021 -0.793 3.158) 3.257 9.295 ( 5.019 -1.246 -16.309) 17.109 9.309 ( 7.619 -2.158 -13.150) 15.350 9.593 ( -6.746 4.519 6.578) 10.450 9.711 ( -8.185 -6.971 6.874) 12.762 10.095 ( 13.282 7.622 -7.529) 17.064 10.196 ( 7.008 -1.200 -9.440) 11.818 11.165 ( -7.983 1.589 10.365) 13.179 11.241 ( -12.243 -5.146 9.167) 16.136 11.527 ( 1.932 5.532 11.295) 12.725 11.651 ( 3.141 -6.044 12.105) 13.889 11.829 ( -2.476 6.788 4.270) 8.393 11.940 ( -4.569 -1.749 4.046) 6.348 12.042 ( 3.344 4.755 -0.805) 5.869 12.185 ( 4.108 -7.498 -5.551) 10.193 12.343 ( 1.047 1.867 5.281) 5.698 12.421 ( -10.445 -4.635 5.683) 12.763 12.606 ( -0.599 4.260 7.220) 8.404 12.697 ( -2.193 -4.122 9.310) 10.415 13.073 ( -1.826 3.240 4.411) 5.770 13.154 ( 0.962 -3.574 1.858) 4.141 13.557 ( -2.219 3.985 7.105) 8.443 13.623 ( 4.955 -2.581 5.366) 7.747 14.082 ( 8.835 21.286 -16.247) 28.198 14.210 ( 9.785 9.696 -26.622) 29.975 14.369 ( 2.345 -8.060 -20.758) 22.391 14.647 ( 11.056 -28.842 -13.436) 33.684 17.590 ( -2.654 1.037 9.250) 9.679 17.643 ( -2.062 -2.983 7.751) 8.558 17.723 ( -0.371 2.822 0.250) 2.858 17.833 ( 1.231 -7.212 -1.593) 7.488 19.341 ( -4.225 6.832 -3.692) 8.841 19.450 ( -1.814 -3.736 -2.018) 4.618 19.534 ( 3.142 1.079 2.250) 4.013 19.545 ( 1.747 -0.125 2.195) 2.808 20.065 ( -12.618 22.011 17.626) 30.893 20.439 ( -5.831 -14.049 20.722) 25.706 20.732 ( -2.196 3.605 -22.883) 23.269 20.797 ( 10.520 -2.605 -18.786) 21.688 ======================= Grid point 177 (101/108) ======================= q-point: ( 0.20 0.40 -0.57) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 3.930 2.725 -2.741) 5.512 2.002 ( 3.682 -2.840 -3.704) 5.945 2.382 ( 5.392 1.530 3.690) 6.711 2.425 ( 2.800 -2.692 5.203) 6.493 2.581 ( 9.513 4.822 2.169) 10.883 2.671 ( 13.455 -2.971 5.522) 14.845 2.835 ( 5.290 -1.590 -3.784) 6.696 2.868 ( 7.866 -3.876 -6.833) 11.117 3.263 ( -1.132 3.733 -4.344) 5.838 3.303 ( 0.773 0.028 0.650) 1.010 3.682 ( 8.802 6.383 -5.518) 12.192 3.802 ( 3.522 -3.954 -7.055) 8.821 3.961 ( -1.259 5.957 13.329) 14.654 4.097 ( -1.729 -5.377 9.767) 11.282 4.148 ( -4.617 -0.635 14.369) 15.106 4.284 ( -8.402 -10.059 7.544) 15.123 4.508 ( 5.058 4.417 -5.180) 8.481 4.588 ( 5.216 -1.493 -0.704) 5.471 4.657 ( -5.991 7.698 16.153) 18.870 4.925 ( -2.851 -15.250 13.238) 20.395 5.135 ( 4.801 6.450 3.708) 8.855 5.234 ( 2.816 -2.194 0.068) 3.570 5.500 ( 0.981 6.037 -5.814) 8.438 5.551 ( 0.025 2.043 -1.390) 2.471 5.814 ( -2.915 10.205 4.847) 11.668 5.950 ( 1.166 -4.052 5.549) 6.969 6.024 ( 5.392 3.278 -21.956) 22.845 6.177 ( 5.257 -9.499 -23.050) 25.479 6.582 ( -0.856 5.578 -2.152) 6.039 6.672 ( -2.615 -1.230 0.244) 2.900 6.795 ( 3.226 5.177 -6.856) 9.177 6.912 ( -0.520 -4.855 -3.019) 5.740 7.085 ( -7.409 8.519 1.885) 11.446 7.202 ( -7.769 4.827 8.719) 12.636 7.326 ( -2.467 3.818 6.284) 7.756 7.440 ( -7.845 2.088 5.704) 9.922 7.495 ( -7.946 -5.867 2.491) 10.187 7.605 ( -9.464 -9.748 5.863) 14.797 7.766 ( 3.122 10.928 -12.488) 16.886 8.043 ( 6.084 -13.864 -14.010) 20.628 8.697 ( -8.260 0.561 10.103) 13.061 8.741 ( -7.514 -3.089 15.223) 17.255 8.975 ( -5.112 -2.119 5.281) 7.650 8.982 ( -4.133 -2.642 0.034) 4.905 9.153 ( -1.865 2.261 -1.703) 3.390 9.198 ( -2.039 -1.843 -1.130) 2.972 9.284 ( 4.782 1.975 -14.607) 15.496 9.344 ( 5.127 -3.415 -11.818) 13.327 9.561 ( -1.438 4.351 6.500) 7.953 9.670 ( -2.648 -5.740 9.060) 11.047 10.116 ( -4.878 6.331 -13.138) 15.378 10.190 ( 1.756 0.002 -12.264) 12.389 11.158 ( -2.192 1.840 14.778) 15.053 11.238 ( 2.695 -5.156 17.215) 18.172 11.617 ( -1.493 4.831 11.689) 12.736 11.732 ( -2.987 -6.001 10.230) 12.231 11.796 ( -3.913 7.322 1.778) 8.490 11.920 ( -2.007 -3.043 4.390) 5.706 12.088 ( 3.546 8.115 1.228) 8.940 12.280 ( 5.164 -6.563 6.553) 10.615 12.369 ( 4.787 0.292 0.057) 4.796 12.466 ( 2.769 -6.216 9.238) 11.474 12.615 ( -2.436 3.641 11.045) 11.882 12.727 ( -1.348 -6.544 13.466) 15.033 13.088 ( 1.343 7.877 0.725) 8.024 13.187 ( 0.235 -2.274 3.814) 4.446 13.538 ( -2.917 8.531 1.843) 9.203 13.717 ( 3.298 -8.394 -3.311) 9.607 14.123 ( 6.691 22.298 -16.983) 28.817 14.236 ( 11.744 3.997 -24.899) 27.818 14.307 ( 8.038 -2.168 -25.854) 27.161 14.665 ( 1.271 -28.911 -16.014) 33.074 17.600 ( -2.644 2.507 9.084) 9.787 17.671 ( -1.059 -3.371 7.796) 8.559 17.728 ( 0.773 2.359 0.114) 2.485 17.824 ( -0.584 -6.478 -2.331) 6.909 19.267 ( -1.200 5.800 -2.958) 6.620 19.382 ( -2.290 -5.473 -4.215) 7.277 19.514 ( -6.865 2.979 0.408) 7.495 19.547 ( -1.639 -0.871 0.568) 1.942 20.094 ( 0.776 19.796 20.650) 28.616 20.434 ( -8.071 -9.713 15.767) 20.201 20.530 ( -4.989 11.984 -12.448) 17.985 20.835 ( 6.044 -14.170 -16.631) 22.669 ======================= Grid point 178 (102/108) ======================= q-point: ( 0.30 0.40 -0.57) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 7.264 1.856 0.231) 7.501 2.092 ( 6.817 -2.792 0.731) 7.403 2.494 ( 5.440 2.363 -2.480) 6.428 2.523 ( 5.411 0.065 0.022) 5.412 2.748 ( 7.170 5.720 -4.506) 10.219 2.868 ( 6.334 -4.359 -10.063) 12.664 2.915 ( 4.956 3.392 0.506) 6.027 2.994 ( 8.097 -4.157 -1.616) 9.244 3.207 ( -1.007 4.246 -5.473) 7.000 3.290 ( -0.157 -3.950 -4.187) 5.758 3.756 ( 0.991 2.983 -2.261) 3.872 3.797 ( 0.318 -2.360 -1.136) 2.638 4.046 ( -5.661 4.053 14.705) 16.270 4.071 ( 2.452 4.474 12.628) 13.620 4.236 ( -4.262 -6.661 11.917) 14.303 4.283 ( 3.513 -10.843 16.061) 19.694 4.533 ( -1.101 4.601 5.416) 7.191 4.621 ( 0.044 -2.567 2.134) 3.339 4.794 ( 6.990 6.544 8.999) 13.140 4.948 ( -2.617 -6.711 9.168) 11.659 5.273 ( 8.090 0.120 -2.175) 8.378 5.283 ( 4.525 1.292 -8.922) 10.087 5.487 ( 1.008 2.892 -2.095) 3.710 5.530 ( 0.118 0.653 -3.760) 3.819 5.752 ( -8.257 10.397 9.452) 16.298 5.918 ( -6.090 -5.769 0.267) 8.393 6.016 ( 7.245 1.142 -15.760) 17.383 6.121 ( 4.784 -7.780 -20.618) 22.550 6.551 ( -1.798 8.445 -0.281) 8.639 6.632 ( -3.767 2.950 5.258) 7.109 6.808 ( 0.450 5.280 -5.949) 7.967 6.863 ( -0.963 -2.129 0.435) 2.377 6.992 ( -0.215 -0.559 -7.233) 7.258 7.095 ( -6.374 -4.012 -0.127) 7.533 7.245 ( -8.265 5.161 0.913) 9.787 7.346 ( -5.782 -2.140 4.309) 7.522 7.395 ( -6.723 2.772 13.344) 15.197 7.502 ( -7.590 -6.018 9.539) 13.595 7.759 ( 4.913 9.693 -11.164) 15.580 8.032 ( 1.939 -14.144 -13.436) 19.605 8.633 ( -5.100 3.098 8.173) 10.120 8.717 ( -5.396 -4.374 13.289) 14.995 8.902 ( -5.951 -1.287 3.759) 7.156 8.924 ( -6.093 -3.298 9.473) 11.736 9.095 ( -2.139 2.185 -1.895) 3.597 9.140 ( -2.368 -2.187 -1.740) 3.663 9.270 ( 4.264 2.891 -14.248) 15.151 9.355 ( 5.200 -5.196 -12.895) 14.843 9.616 ( 1.382 4.664 8.023) 9.382 9.691 ( -3.038 -1.714 9.994) 10.585 9.933 ( -3.353 5.155 -13.521) 14.853 10.052 ( -3.724 -6.098 -14.498) 16.163 11.307 ( 4.089 6.262 17.187) 18.744 11.410 ( -0.945 -2.755 21.752) 21.947 11.640 ( -1.419 2.003 3.672) 4.417 11.716 ( -0.871 -4.344 -1.005) 4.543 11.745 ( -2.418 4.100 4.087) 6.274 11.877 ( -2.680 -7.375 3.857) 8.744 12.249 ( 5.208 11.454 12.170) 17.505 12.355 ( -5.053 2.150 18.123) 18.937 12.470 ( -2.417 0.435 9.415) 9.730 12.579 ( 9.063 -6.742 -3.775) 11.909 12.713 ( 5.649 6.956 6.657) 11.164 12.857 ( 4.931 -5.973 9.000) 11.874 13.133 ( 3.609 4.580 0.242) 5.836 13.229 ( 2.434 -3.351 4.050) 5.792 13.499 ( -2.002 6.475 2.565) 7.246 13.698 ( -1.039 -12.243 -6.455) 13.880 14.099 ( 3.331 17.404 -17.133) 24.648 14.272 ( 10.143 2.912 -26.260) 28.301 14.324 ( 11.180 -2.546 -25.378) 27.848 14.495 ( -5.662 -19.091 -19.235) 27.686 17.614 ( -2.646 4.198 9.444) 10.668 17.704 ( -0.669 -3.182 6.612) 7.368 17.747 ( 0.470 -0.791 1.183) 1.499 17.795 ( -0.403 -4.207 -2.226) 4.777 19.250 ( 0.860 4.222 -2.078) 4.783 19.324 ( -0.730 -2.719 -4.187) 5.046 19.375 ( -6.938 6.495 1.150) 9.573 19.489 ( -4.919 -4.467 1.126) 6.739 20.240 ( 1.158 12.906 5.932) 14.251 20.372 ( -4.012 8.706 9.483) 13.484 20.412 ( -7.188 3.487 8.746) 11.845 20.816 ( 3.925 -21.099 -14.933) 26.146 ======================= Grid point 179 (103/108) ======================= q-point: ( 0.40 0.40 -0.57) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 7.672 1.075 1.696) 7.930 2.240 ( 6.731 -2.687 2.331) 7.613 2.544 ( 2.579 2.845 -3.789) 5.395 2.592 ( 2.910 -1.399 -4.024) 5.159 2.764 ( -0.865 6.062 -5.203) 8.035 2.839 ( -2.560 -0.271 -5.771) 6.319 2.993 ( 3.882 5.209 -5.388) 8.440 3.098 ( 5.483 -2.377 -3.448) 6.899 3.131 ( -2.033 3.028 -12.304) 12.833 3.221 ( -2.902 -3.705 -5.311) 7.096 3.779 ( -3.897 -1.165 11.140) 11.859 3.815 ( 3.286 -2.556 7.115) 8.243 4.097 ( -1.886 2.305 20.050) 20.270 4.185 ( -2.124 -5.171 12.115) 13.343 4.304 ( 3.701 3.799 14.291) 15.244 4.439 ( 0.351 -8.314 14.201) 16.460 4.570 ( 3.094 3.666 -0.302) 4.806 4.635 ( 2.215 -2.002 -4.300) 5.235 4.930 ( -4.694 2.230 5.531) 7.589 4.949 ( 4.290 0.197 1.441) 4.529 5.283 ( 2.833 3.281 -9.488) 10.431 5.353 ( 3.841 -1.030 -9.259) 10.077 5.506 ( 2.245 1.691 -2.619) 3.842 5.515 ( -1.978 5.721 1.911) 6.347 5.707 ( -1.818 0.678 10.193) 10.376 5.811 ( -5.995 -6.715 4.938) 10.268 6.035 ( 5.748 -0.499 -14.841) 15.923 6.080 ( 4.762 -4.737 -17.206) 18.470 6.506 ( -3.331 10.267 3.281) 11.282 6.602 ( -3.494 2.551 4.610) 6.323 6.736 ( -2.573 6.666 -3.841) 8.113 6.840 ( -2.249 -2.889 -3.755) 5.245 6.971 ( -1.072 -3.489 -2.545) 4.449 7.051 ( 5.767 -8.934 -0.275) 10.637 7.109 ( -7.070 9.588 2.918) 12.265 7.279 ( -3.916 -5.166 2.757) 7.044 7.381 ( -4.264 3.031 12.177) 13.254 7.450 ( -5.419 -3.522 10.053) 11.952 7.783 ( 5.425 5.940 -11.887) 14.353 7.938 ( -0.229 -7.644 -16.806) 18.464 8.615 ( -2.264 3.758 6.995) 8.257 8.709 ( -4.399 -4.707 10.398) 12.232 8.813 ( -6.550 1.125 6.027) 8.972 8.875 ( -5.108 -4.924 8.069) 10.745 9.067 ( -1.063 1.300 1.940) 2.566 9.100 ( -1.953 -1.765 1.881) 3.235 9.261 ( 5.384 3.195 -14.422) 15.722 9.362 ( 5.542 -6.653 -15.122) 17.426 9.668 ( -5.344 3.613 9.099) 11.154 9.695 ( -0.942 1.472 9.436) 9.597 9.830 ( 1.584 3.712 -12.360) 13.002 9.934 ( 1.765 -6.377 -12.396) 14.051 11.424 ( -7.842 6.247 16.852) 19.609 11.489 ( -2.880 0.190 21.751) 21.941 11.621 ( -1.041 -0.820 -1.082) 1.710 11.692 ( -1.287 -6.135 -0.880) 6.329 11.788 ( 4.470 5.819 4.172) 8.441 11.958 ( 6.773 -8.910 6.921) 13.159 12.332 ( -11.200 5.293 24.201) 27.187 12.371 ( -4.774 3.255 17.349) 18.286 12.497 ( 1.733 8.986 0.421) 9.161 12.638 ( 1.480 -3.235 -5.938) 6.922 12.851 ( 4.358 6.700 1.615) 8.155 12.983 ( 5.514 -5.003 -2.149) 7.749 13.216 ( 6.226 3.865 -1.516) 7.484 13.368 ( 7.310 -6.852 5.456) 11.409 13.507 ( -1.619 2.441 9.013) 9.477 13.642 ( -0.392 -11.750 -2.315) 11.982 14.024 ( 0.480 9.872 -14.763) 17.766 14.218 ( -4.772 -7.771 -23.939) 25.617 14.282 ( 8.334 2.561 -25.304) 26.763 14.347 ( 8.107 -3.170 -24.505) 26.005 17.629 ( -2.667 4.744 9.631) 11.062 17.730 ( -1.304 -2.996 6.327) 7.121 17.753 ( -0.616 -1.260 0.950) 1.694 17.791 ( 1.026 -3.152 -0.861) 3.425 19.253 ( -0.416 3.869 -1.276) 4.096 19.269 ( -1.979 3.948 -0.694) 4.470 19.326 ( 1.154 -0.562 -1.707) 2.135 19.392 ( -5.840 -5.655 1.811) 8.329 20.248 ( 3.734 22.398 -6.260) 23.554 20.298 ( -10.189 7.227 10.887) 16.570 20.454 ( -2.104 -2.424 16.552) 16.860 20.800 ( 5.408 -23.704 -14.496) 28.306 ======================= Grid point 180 (104/108) ======================= q-point: (-0.50 0.40 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 0.537 -1.026 0.375) 1.217 2.315 ( -0.565 -3.188 -1.502) 3.569 2.568 ( 0.614 2.064 0.065) 2.154 2.589 ( -1.005 0.231 -1.590) 1.895 2.718 ( -2.451 4.037 4.680) 6.649 2.747 ( -4.945 2.021 5.962) 8.005 2.906 ( -4.969 1.560 -7.657) 9.261 2.970 ( -7.422 -2.971 -11.633) 14.115 3.142 ( 0.339 0.945 0.535) 1.138 3.213 ( 5.123 -4.003 -5.333) 8.409 3.830 ( 2.314 5.542 6.437) 8.803 3.930 ( 7.386 -2.810 -4.020) 8.866 4.203 ( -4.149 2.062 25.232) 25.654 4.250 ( -1.868 -1.505 18.467) 18.623 4.413 ( -2.390 1.305 6.830) 7.353 4.468 ( -5.817 -5.177 14.187) 16.183 4.617 ( -0.388 1.835 -7.719) 7.943 4.650 ( 7.131 -1.213 -7.211) 10.213 4.882 ( -1.735 4.789 1.930) 5.447 4.986 ( 3.538 -5.585 -6.350) 9.167 5.245 ( -5.799 5.511 3.422) 8.702 5.333 ( -0.694 1.795 -5.982) 6.284 5.436 ( -3.959 -0.264 3.752) 5.461 5.548 ( -0.492 -3.423 -4.314) 5.529 5.721 ( -1.382 3.022 6.259) 7.087 5.813 ( 0.316 -3.950 3.839) 5.517 6.059 ( 7.787 -2.727 -14.673) 16.834 6.066 ( 5.862 -2.854 -15.441) 16.761 6.504 ( 1.763 8.747 2.025) 9.150 6.572 ( 1.380 5.016 -3.132) 6.072 6.692 ( -1.895 4.431 3.608) 6.020 6.785 ( 0.122 -5.129 -2.603) 5.753 6.988 ( 2.328 4.134 4.006) 6.209 7.007 ( -4.680 7.757 -2.438) 9.382 7.185 ( 0.264 -8.964 7.114) 11.447 7.198 ( -4.304 -7.384 1.995) 8.776 7.430 ( 3.017 -0.031 8.734) 9.240 7.446 ( -1.735 -1.436 10.938) 11.167 7.786 ( 4.499 2.758 -15.573) 16.443 7.832 ( 3.152 -1.203 -19.933) 20.217 8.640 ( -0.890 1.701 7.774) 8.008 8.689 ( -3.295 -2.967 6.198) 7.620 8.759 ( -4.200 2.815 8.917) 10.251 8.855 ( -1.781 -6.210 5.191) 8.288 9.066 ( -1.345 -0.037 3.692) 3.929 9.086 ( -2.066 -1.523 4.764) 5.412 9.277 ( 6.172 3.536 -13.806) 15.531 9.354 ( 4.967 -3.897 -16.163) 17.352 9.614 ( -5.539 5.529 8.073) 11.244 9.715 ( -3.642 -3.151 9.129) 10.321 9.815 ( 4.798 4.960 -10.103) 12.235 9.934 ( 4.912 -5.573 -10.565) 12.915 11.365 ( -9.053 5.133 17.416) 20.288 11.505 ( -10.069 -7.622 19.082) 22.883 11.598 ( -0.453 2.058 -0.982) 2.324 11.695 ( 1.495 -6.488 0.822) 6.708 11.942 ( 5.994 10.510 9.273) 15.244 12.102 ( -0.795 1.455 0.054) 1.659 12.245 ( -5.940 2.131 16.919) 18.058 12.380 ( -9.907 -3.758 18.016) 20.900 12.516 ( 0.341 2.462 -1.661) 2.989 12.616 ( -1.136 -5.682 8.586) 10.359 12.892 ( 2.216 7.135 -5.244) 9.127 13.031 ( 4.556 -3.923 -11.528) 13.002 13.356 ( 8.565 8.025 -0.668) 11.756 13.483 ( -1.880 -1.330 10.503) 10.752 13.541 ( -0.050 -0.601 3.160) 3.217 13.651 ( 1.677 -10.140 -3.281) 10.789 13.927 ( -1.418 3.578 -11.068) 11.718 14.002 ( -2.225 -2.896 -13.996) 14.465 14.270 ( 8.273 2.329 -25.908) 27.296 14.320 ( 7.944 -2.189 -25.951) 27.228 17.642 ( -2.927 3.625 9.475) 10.559 17.725 ( -4.120 -4.111 7.300) 9.336 17.753 ( 0.316 2.059 -0.323) 2.108 17.808 ( 0.790 -3.036 0.059) 3.137 19.227 ( -0.852 2.126 1.052) 2.520 19.251 ( -0.920 1.328 -1.099) 1.954 19.320 ( -2.099 -0.642 1.546) 2.685 19.360 ( 3.272 -2.820 -2.093) 4.800 20.169 ( -9.836 15.426 9.029) 20.402 20.339 ( 9.161 18.206 -5.661) 21.152 20.501 ( -3.037 -9.424 13.369) 16.636 20.822 ( 7.391 -20.903 -15.656) 27.142 ======================= Grid point 181 (105/108) ======================= q-point: (-0.40 0.40 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -7.728 -1.152 -0.451) 7.827 2.246 ( -5.609 -3.600 2.224) 7.026 2.501 ( -6.272 1.159 0.492) 6.397 2.525 ( -5.670 -1.275 1.046) 5.905 2.697 ( -2.838 2.508 2.581) 4.583 2.761 ( -5.857 -4.221 1.663) 7.409 2.801 ( 0.022 1.784 8.050) 8.245 2.844 ( -2.114 -2.486 9.489) 10.035 3.123 ( -2.261 5.799 -1.710) 6.454 3.245 ( 1.766 -5.139 -4.232) 6.888 3.885 ( -2.105 9.060 -2.288) 9.579 3.981 ( 0.900 0.617 -4.292) 4.428 4.266 ( -3.906 3.066 12.498) 13.448 4.301 ( -4.753 2.961 6.187) 8.345 4.400 ( -1.503 -4.314 13.078) 13.853 4.439 ( -0.513 -5.581 -0.587) 5.635 4.552 ( -0.405 5.009 -3.497) 6.122 4.703 ( 2.099 -8.418 -1.518) 8.808 4.903 ( 2.336 3.696 -2.611) 5.093 5.012 ( -0.074 -6.776 -1.623) 6.968 5.132 ( -6.409 8.567 6.882) 12.721 5.254 ( -3.870 4.663 -2.345) 6.498 5.410 ( -4.813 -6.732 9.171) 12.353 5.482 ( -0.836 -5.987 -1.925) 6.344 5.741 ( -0.142 3.048 -0.554) 3.101 5.791 ( -4.324 -3.550 1.915) 5.913 6.087 ( 7.279 1.120 -14.586) 16.340 6.122 ( 7.776 -1.384 -12.328) 14.641 6.584 ( 4.761 9.533 1.387) 10.746 6.639 ( 6.954 9.729 -6.904) 13.808 6.717 ( 1.736 -1.041 5.958) 6.292 6.820 ( 4.804 -2.425 -6.406) 8.366 6.891 ( -4.497 2.973 -0.281) 5.398 7.039 ( -8.232 -7.343 -1.364) 11.115 7.080 ( 2.290 6.728 8.700) 11.234 7.252 ( -1.744 -6.211 10.796) 12.577 7.521 ( 2.853 3.726 7.415) 8.775 7.618 ( 9.126 -3.445 5.833) 11.366 7.751 ( 5.022 2.858 -17.432) 18.365 7.802 ( 6.753 -2.257 -18.137) 19.484 8.660 ( -0.898 -0.131 4.544) 4.634 8.697 ( -2.123 -3.423 10.318) 11.076 8.786 ( 0.418 2.695 9.048) 9.450 8.869 ( -0.908 -5.104 5.288) 7.405 9.070 ( -0.058 -1.335 1.880) 2.307 9.085 ( -0.946 -2.030 4.441) 4.974 9.287 ( 4.189 2.578 -12.638) 13.561 9.329 ( 3.358 -1.619 -14.733) 15.197 9.603 ( -0.964 4.131 8.089) 9.134 9.707 ( -2.333 -5.480 8.449) 10.337 9.862 ( 6.204 5.107 -8.663) 11.816 9.926 ( 1.619 -0.263 -11.234) 11.353 11.353 ( -5.255 -0.753 19.438) 20.150 11.424 ( -9.771 -7.143 15.748) 19.862 11.582 ( -3.141 4.839 4.229) 7.153 11.720 ( -2.520 -7.782 6.824) 10.652 11.948 ( -5.469 9.083 -9.395) 14.166 12.087 ( 0.838 4.152 3.769) 5.670 12.210 ( -7.846 0.808 4.183) 8.928 12.363 ( -2.430 -5.884 19.280) 20.304 12.547 ( -0.884 7.350 10.906) 13.181 12.689 ( -1.890 -5.505 12.964) 14.211 12.894 ( 2.099 4.563 -4.781) 6.934 13.005 ( 2.633 -5.642 -14.207) 15.512 13.455 ( -1.478 -0.578 -5.168) 5.406 13.479 ( -0.860 0.123 5.228) 5.300 13.511 ( 2.798 3.039 -13.128) 13.763 13.621 ( -4.113 -4.424 1.613) 6.252 13.845 ( -0.386 4.245 -5.925) 7.299 13.942 ( -0.541 -4.095 -2.039) 4.606 14.241 ( 7.206 5.295 -22.721) 24.418 14.336 ( 11.224 -3.975 -21.998) 25.013 17.642 ( -3.933 1.708 9.293) 10.235 17.694 ( -4.616 -3.192 8.208) 9.943 17.745 ( -0.445 2.991 -1.157) 3.237 17.818 ( 0.117 -3.763 0.282) 3.776 19.226 ( -0.446 1.281 0.934) 1.647 19.234 ( -0.823 0.871 1.954) 2.292 19.321 ( 1.784 4.408 -0.604) 4.794 19.425 ( 4.685 -5.461 -1.327) 7.317 20.074 ( -6.029 19.263 8.700) 21.980 20.434 ( -1.389 -9.456 8.035) 12.486 20.598 ( 11.406 5.284 -4.319) 13.292 20.843 ( 6.738 -12.582 -19.163) 23.894 ======================= Grid point 182 (106/108) ======================= q-point: (-0.30 0.40 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -10.080 2.400 0.818) 10.394 2.110 ( -9.214 -2.628 0.322) 9.586 2.361 ( -8.222 4.829 6.623) 11.610 2.485 ( -1.239 -6.418 2.503) 6.999 2.654 ( -4.191 1.515 3.599) 5.729 2.710 ( -3.077 -3.317 3.433) 5.680 2.869 ( -0.886 -0.206 8.455) 8.504 2.874 ( -1.386 -1.392 7.194) 7.458 3.069 ( -3.124 7.347 6.432) 10.252 3.237 ( -0.493 -7.632 -0.015) 7.648 3.708 ( -11.835 9.932 -0.515) 15.459 3.903 ( -7.669 -6.918 -2.240) 10.568 4.187 ( -6.674 2.460 0.802) 7.158 4.209 ( -4.830 1.156 -1.233) 5.117 4.469 ( 4.454 1.063 1.132) 4.717 4.493 ( -5.273 7.411 3.392) 9.707 4.542 ( 5.894 -2.790 -10.553) 12.405 4.681 ( -4.055 -8.887 -2.175) 10.008 4.901 ( -0.549 2.769 0.067) 2.823 4.978 ( -3.412 -1.254 9.909) 10.555 5.153 ( 2.576 1.047 3.465) 4.443 5.192 ( -0.671 5.412 -0.575) 5.483 5.403 ( -3.028 -5.246 9.098) 10.930 5.485 ( 1.747 -4.454 -0.459) 4.806 5.711 ( -3.827 -3.223 1.945) 5.368 5.724 ( -2.175 -2.031 0.798) 3.081 6.112 ( 6.610 4.463 -15.614) 17.533 6.180 ( 6.409 -1.740 -11.378) 13.175 6.633 ( -2.112 14.029 -4.648) 14.929 6.654 ( -2.513 7.924 5.913) 10.201 6.791 ( 2.431 -0.440 2.082) 3.231 6.826 ( 5.149 -0.842 -7.892) 9.461 6.871 ( -2.893 -3.796 0.232) 4.779 7.004 ( 6.807 -9.915 2.267) 12.238 7.194 ( 3.242 7.264 9.903) 12.702 7.326 ( 2.676 -5.597 10.846) 12.495 7.603 ( 2.131 10.799 0.210) 11.009 7.749 ( 6.874 2.721 -14.139) 15.955 7.769 ( 6.412 -0.397 -8.887) 10.966 7.854 ( 7.232 -6.754 -7.035) 12.142 8.695 ( 2.025 0.205 2.951) 3.585 8.735 ( -2.419 -3.447 13.329) 13.978 8.859 ( -1.946 -2.102 12.828) 13.144 8.882 ( -1.243 -2.839 5.357) 6.189 9.094 ( 2.955 0.047 -0.902) 3.090 9.135 ( 4.045 -3.175 -0.234) 5.147 9.264 ( 1.965 1.723 -10.951) 11.258 9.290 ( 2.788 -0.902 -10.938) 11.324 9.685 ( 3.326 4.170 8.846) 10.330 9.781 ( 3.815 -4.881 9.253) 11.135 9.846 ( -0.446 4.390 -11.140) 11.982 9.905 ( 3.753 -0.454 -9.501) 10.226 11.381 ( -4.716 -0.175 12.866) 13.704 11.425 ( -2.424 -3.057 20.328) 20.699 11.518 ( -6.703 2.312 6.685) 9.745 11.657 ( -8.810 -9.212 5.231) 13.779 11.842 ( 1.753 7.675 -9.477) 12.321 12.021 ( -0.256 -8.521 -6.686) 10.834 12.185 ( -5.550 12.401 8.294) 15.918 12.380 ( -7.561 -3.853 12.404) 15.029 12.616 ( -1.300 6.519 10.649) 12.553 12.659 ( -8.180 2.435 7.022) 11.052 12.862 ( -4.311 3.664 -0.805) 5.715 12.991 ( 4.858 -8.611 -9.421) 13.657 13.347 ( -3.689 -0.301 -15.309) 15.751 13.398 ( -0.010 -5.545 -10.708) 12.059 13.517 ( -0.413 2.624 -4.313) 5.065 13.555 ( -4.970 -1.159 10.247) 11.448 13.827 ( 1.908 4.071 -3.407) 5.641 13.923 ( -0.953 -4.770 1.147) 4.998 14.254 ( 8.536 8.458 -18.705) 22.232 14.436 ( 12.146 -8.997 -13.968) 20.581 17.623 ( -4.855 0.405 9.135) 10.353 17.668 ( -4.257 -3.793 9.858) 11.388 17.730 ( -0.053 3.535 -1.328) 3.776 17.814 ( -0.540 -4.327 -0.232) 4.367 19.217 ( -0.998 1.666 0.845) 2.118 19.242 ( -0.107 -0.667 3.369) 3.436 19.386 ( 5.354 6.754 -0.058) 8.619 19.501 ( 3.473 -4.485 -0.115) 5.674 20.071 ( -1.274 18.937 10.337) 21.612 20.444 ( -4.382 -16.301 12.864) 21.223 20.794 ( 5.408 1.017 -22.744) 23.401 20.804 ( 14.081 -0.227 -16.175) 21.447 ======================= Grid point 183 (107/108) ======================= q-point: (-0.20 0.40 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -7.792 3.634 2.947) 9.089 1.949 ( -7.452 -2.467 1.658) 8.023 2.314 ( -3.117 8.866 9.078) 13.067 2.447 ( -5.025 -1.717 1.302) 5.467 2.565 ( -7.775 1.738 3.008) 8.516 2.611 ( -10.141 0.525 1.904) 10.331 2.829 ( -2.006 5.274 -0.080) 5.644 2.945 ( 3.236 -6.151 -0.268) 6.955 3.127 ( 2.510 1.470 7.519) 8.062 3.247 ( 0.523 -7.590 3.044) 8.195 3.520 ( -8.849 6.182 5.105) 11.941 3.719 ( -9.341 -12.018 0.578) 15.232 4.075 ( -7.431 5.823 7.528) 12.074 4.144 ( -2.910 -1.668 1.069) 3.520 4.350 ( -8.450 7.499 1.529) 11.401 4.508 ( 2.385 0.670 -12.326) 12.573 4.515 ( -5.569 -0.906 0.268) 5.649 4.568 ( -0.675 -10.075 -8.492) 13.193 4.876 ( -3.747 8.757 -0.994) 9.577 4.991 ( -1.329 0.497 6.531) 6.683 5.182 ( -2.453 2.816 1.343) 3.968 5.251 ( 4.466 -1.419 -1.498) 4.920 5.429 ( 0.686 -1.836 10.731) 10.909 5.535 ( 4.193 -1.661 -3.009) 5.422 5.671 ( -3.239 -5.476 5.774) 8.592 5.694 ( -2.150 -3.211 2.462) 4.582 6.127 ( 6.271 5.166 -16.332) 18.241 6.202 ( 4.996 -2.181 -12.984) 14.082 6.584 ( 1.185 8.281 -1.240) 8.457 6.630 ( -4.925 6.165 8.812) 11.829 6.766 ( 0.550 -3.201 -7.033) 7.746 6.843 ( 0.096 -7.544 2.778) 8.039 6.977 ( 6.361 8.491 4.918) 11.694 7.162 ( 5.761 -7.576 7.310) 12.001 7.333 ( 5.251 6.600 6.523) 10.662 7.474 ( 2.699 -6.178 10.714) 12.658 7.604 ( 1.090 12.347 -3.474) 12.873 7.770 ( 5.249 4.044 -13.876) 15.377 7.824 ( 4.494 -3.749 -8.362) 10.207 7.891 ( 4.006 -7.727 -10.142) 13.365 8.772 ( 2.950 0.227 5.393) 6.151 8.789 ( -2.778 -1.025 17.094) 17.349 8.870 ( -4.782 -0.155 13.202) 14.042 8.915 ( 0.418 -3.704 4.787) 6.067 9.145 ( 4.534 0.458 -7.953) 9.166 9.196 ( 4.867 -3.991 -6.719) 9.206 9.257 ( 3.386 1.332 -5.036) 6.213 9.291 ( 3.554 -1.843 -7.704) 8.682 9.762 ( 1.591 5.247 -7.804) 9.538 9.858 ( 5.477 4.684 7.621) 10.489 9.882 ( 1.212 -5.770 -6.997) 9.150 9.928 ( 2.572 -1.320 8.424) 8.906 11.358 ( -2.275 4.878 -1.099) 5.494 11.449 ( -6.099 0.012 5.345) 8.110 11.535 ( 0.144 -4.181 7.981) 9.011 11.586 ( 1.750 -4.665 12.522) 13.477 11.867 ( 3.952 5.055 -3.085) 7.119 11.956 ( -6.678 3.552 -0.480) 7.579 12.130 ( -0.741 -2.052 0.047) 2.182 12.241 ( -12.690 -5.222 5.677) 14.850 12.482 ( -10.091 7.045 -0.129) 12.308 12.601 ( -7.235 -2.550 2.401) 8.038 12.771 ( -6.665 11.065 5.630) 14.091 13.012 ( 0.656 -11.637 -3.052) 12.048 13.162 ( -8.158 7.898 -1.344) 11.434 13.324 ( 3.611 -6.200 -20.605) 21.818 13.495 ( -2.691 2.018 6.101) 6.967 13.544 ( -5.604 -2.060 14.150) 15.359 13.889 ( 8.589 1.564 -7.698) 11.640 13.935 ( 3.270 -2.559 -1.472) 4.406 14.278 ( 7.531 9.727 -19.534) 23.085 14.572 ( 9.110 -20.082 -8.197) 23.526 17.585 ( -5.498 2.576 9.380) 11.173 17.673 ( -2.929 -5.934 10.033) 12.018 17.726 ( 0.132 2.476 -0.121) 2.482 17.800 ( -0.482 -4.318 -0.731) 4.406 19.213 ( -0.004 3.206 1.958) 3.757 19.286 ( 1.963 -4.057 4.668) 6.488 19.501 ( 5.347 3.705 1.390) 6.652 19.543 ( 0.863 -0.955 0.885) 1.562 20.151 ( 1.047 15.020 12.295) 19.439 20.441 ( -6.229 -12.868 14.300) 20.220 20.669 ( 2.747 18.119 -27.474) 33.026 20.960 ( 13.728 -10.375 -22.045) 27.966 ======================= Grid point 184 (108/108) ======================= q-point: (-0.10 0.40 0.43) 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 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -1.322 3.156 6.227) 7.105 1.882 ( -1.825 -2.367 4.682) 5.555 2.301 ( -7.020 3.093 1.374) 7.793 2.343 ( -4.894 1.852 2.053) 5.621 2.411 ( -8.498 8.342 1.816) 12.046 2.457 ( -5.814 3.378 9.521) 11.656 2.791 ( 1.139 8.201 -12.248) 14.783 2.944 ( -0.078 -7.093 -9.946) 12.216 3.203 ( 0.894 0.522 4.271) 4.394 3.277 ( -0.271 -4.458 3.419) 5.625 3.469 ( -0.362 -1.284 5.840) 5.991 3.592 ( -6.712 -12.786 5.061) 15.302 4.010 ( -8.266 6.944 15.400) 18.807 4.096 ( -3.173 -2.753 1.758) 4.554 4.257 ( -3.027 6.524 2.375) 7.574 4.401 ( -4.312 -2.751 4.210) 6.625 4.469 ( 2.196 0.367 -11.641) 11.852 4.555 ( 4.561 -8.816 -7.286) 12.313 4.747 ( -8.229 11.233 0.318) 13.929 4.971 ( -4.789 -8.445 -0.743) 9.737 5.122 ( -5.036 5.273 6.746) 9.934 5.268 ( -1.306 -3.320 1.721) 3.961 5.545 ( -0.283 4.947 6.253) 7.978 5.590 ( 6.812 3.031 -3.042) 8.052 5.621 ( 1.377 1.890 -12.425) 12.643 5.729 ( -3.116 -11.490 19.241) 22.626 6.122 ( 5.741 5.234 -18.332) 19.910 6.204 ( 5.825 -3.446 -15.436) 16.855 6.609 ( -3.432 6.142 8.085) 10.718 6.643 ( 4.423 3.333 -1.062) 5.639 6.769 ( 2.988 -0.748 -2.372) 3.888 6.852 ( -0.238 -7.881 0.984) 7.946 7.138 ( 5.150 10.363 9.134) 14.743 7.295 ( 2.525 -4.098 8.626) 9.878 7.445 ( -5.943 5.607 8.255) 11.615 7.463 ( 3.651 8.893 -3.637) 10.278 7.679 ( -4.745 -4.334 11.086) 12.814 7.755 ( 5.147 1.175 -14.033) 14.993 7.777 ( 3.631 -2.192 -9.612) 10.507 7.965 ( 9.685 -9.890 -12.083) 18.374 8.840 ( -6.491 0.289 21.379) 22.344 8.848 ( -6.226 -0.123 20.605) 21.526 8.909 ( 5.583 2.453 1.228) 6.221 8.971 ( 3.463 -3.653 2.389) 5.571 9.169 ( 5.400 0.745 -10.994) 12.271 9.241 ( 4.571 -5.713 -7.187) 10.256 9.274 ( 1.780 0.194 -5.983) 6.246 9.297 ( 2.830 -2.261 -8.679) 9.405 9.770 ( 4.785 4.472 -6.626) 9.316 9.880 ( 3.817 -5.655 -5.436) 8.723 9.923 ( -6.616 5.137 5.833) 10.207 9.985 ( -0.961 -0.589 7.005) 7.095 11.317 ( -1.641 2.400 -1.316) 3.192 11.387 ( 2.327 -4.162 -4.285) 6.411 11.592 ( -4.351 6.910 2.497) 8.539 11.687 ( -2.981 0.298 7.862) 8.413 11.810 ( -2.154 4.313 1.065) 4.937 11.917 ( -2.066 -4.036 5.354) 7.016 12.078 ( -1.655 2.274 -1.467) 3.172 12.135 ( -1.242 -0.818 0.079) 1.489 12.398 ( 1.268 -3.615 6.572) 7.607 12.428 ( -8.701 -5.344 -0.295) 10.215 12.660 ( -9.594 14.335 5.108) 17.990 12.937 ( -7.419 -11.993 -0.684) 14.119 13.060 ( -4.163 10.587 4.553) 12.253 13.254 ( 0.133 -6.904 -11.130) 13.097 13.484 ( -4.783 2.029 12.517) 13.552 13.539 ( -5.159 -2.655 14.282) 15.415 13.961 ( 6.843 7.615 -10.427) 14.612 14.101 ( 16.094 -4.444 -10.999) 19.994 14.281 ( 7.878 7.537 -19.596) 22.425 14.620 ( 2.093 -26.067 -10.269) 28.095 17.559 ( -4.113 4.709 10.185) 11.951 17.675 ( -3.288 -5.820 7.196) 9.822 17.734 ( -0.183 -0.293 2.037) 2.066 17.791 ( 0.290 -4.500 -0.797) 4.579 19.258 ( 2.832 5.742 4.003) 7.551 19.373 ( 3.418 -5.458 4.955) 8.125 19.535 ( -1.393 1.722 1.234) 2.536 19.571 ( -0.686 -1.667 0.364) 1.839 20.262 ( 1.347 8.343 13.521) 15.945 20.385 ( -10.642 -4.364 14.778) 18.726 20.593 ( 9.318 25.765 -24.331) 36.643 21.005 ( 8.462 -14.482 -26.641) 31.481 =================== 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 3/29400 10.0 1114.252 1514.159 971.786 0.000 169.671 0.000 3/29400 20.0 244.430 274.713 265.490 0.000 -21.882 0.000 3/29400 30.0 80.423 87.061 92.090 0.000 -9.522 0.000 3/29400 40.0 40.167 42.259 46.838 0.000 -4.950 0.000 3/29400 50.0 24.883 25.445 29.384 0.000 -3.116 0.000 3/29400 60.0 17.435 17.393 20.850 0.000 -2.230 0.000 3/29400 70.0 13.211 12.918 16.017 0.000 -1.743 0.000 3/29400 80.0 10.559 10.163 12.990 0.000 -1.446 0.000 3/29400 90.0 8.770 8.334 10.952 0.000 -1.252 0.000 3/29400 100.0 7.495 7.049 9.502 0.000 -1.117 0.000 3/29400 110.0 6.547 6.105 8.423 0.000 -1.018 0.000 3/29400 120.0 5.818 5.386 7.593 0.000 -0.942 0.000 3/29400 130.0 5.242 4.823 6.934 0.000 -0.883 0.000 3/29400 140.0 4.776 4.370 6.398 0.000 -0.833 0.000 3/29400 150.0 4.392 4.000 5.954 0.000 -0.792 0.000 3/29400 160.0 4.069 3.691 5.578 0.000 -0.756 0.000 3/29400 170.0 3.795 3.429 5.255 0.000 -0.725 0.000 3/29400 180.0 3.560 3.205 4.975 0.000 -0.697 0.000 3/29400 190.0 3.354 3.011 4.728 0.000 -0.671 0.000 3/29400 200.0 3.173 2.841 4.508 0.000 -0.648 0.000 3/29400 210.0 3.013 2.691 4.311 0.000 -0.627 0.000 3/29400 220.0 2.870 2.558 4.132 0.000 -0.606 0.000 3/29400 230.0 2.741 2.438 3.970 0.000 -0.588 0.000 3/29400 240.0 2.625 2.330 3.822 0.000 -0.570 0.000 3/29400 250.0 2.519 2.232 3.685 0.000 -0.554 0.000 3/29400 260.0 2.421 2.143 3.558 0.000 -0.538 0.000 3/29400 270.0 2.332 2.061 3.441 0.000 -0.523 0.000 3/29400 280.0 2.249 1.985 3.332 0.000 -0.509 0.000 3/29400 290.0 2.173 1.916 3.229 0.000 -0.496 0.000 3/29400 300.0 2.102 1.851 3.133 0.000 -0.483 0.000 3/29400 310.0 2.036 1.791 3.043 0.000 -0.471 0.000 3/29400 320.0 1.974 1.735 2.958 0.000 -0.459 0.000 3/29400 330.0 1.916 1.682 2.878 0.000 -0.448 0.000 3/29400 340.0 1.861 1.633 2.802 0.000 -0.437 0.000 3/29400 350.0 1.809 1.586 2.730 0.000 -0.427 0.000 3/29400 360.0 1.761 1.543 2.662 0.000 -0.417 0.000 3/29400 370.0 1.715 1.501 2.597 0.000 -0.408 0.000 3/29400 380.0 1.671 1.462 2.535 0.000 -0.399 0.000 3/29400 390.0 1.630 1.425 2.476 0.000 -0.391 0.000 3/29400 400.0 1.590 1.390 2.420 0.000 -0.382 0.000 3/29400 410.0 1.553 1.357 2.366 0.000 -0.374 0.000 3/29400 420.0 1.517 1.325 2.314 0.000 -0.367 0.000 3/29400 430.0 1.483 1.295 2.265 0.000 -0.359 0.000 3/29400 440.0 1.451 1.266 2.218 0.000 -0.352 0.000 3/29400 450.0 1.420 1.238 2.172 0.000 -0.345 0.000 3/29400 460.0 1.390 1.212 2.129 0.000 -0.339 0.000 3/29400 470.0 1.361 1.187 2.087 0.000 -0.333 0.000 3/29400 480.0 1.334 1.162 2.047 0.000 -0.326 0.000 3/29400 490.0 1.308 1.139 2.008 0.000 -0.321 0.000 3/29400 500.0 1.282 1.117 1.970 0.000 -0.315 0.000 3/29400 510.0 1.258 1.095 1.934 0.000 -0.309 0.000 3/29400 520.0 1.235 1.075 1.900 0.000 -0.304 0.000 3/29400 530.0 1.212 1.055 1.866 0.000 -0.299 0.000 3/29400 540.0 1.190 1.036 1.834 0.000 -0.294 0.000 3/29400 550.0 1.169 1.017 1.802 0.000 -0.289 0.000 3/29400 560.0 1.149 0.999 1.772 0.000 -0.284 0.000 3/29400 570.0 1.129 0.982 1.743 0.000 -0.280 0.000 3/29400 580.0 1.110 0.966 1.714 0.000 -0.275 0.000 3/29400 590.0 1.092 0.949 1.687 0.000 -0.271 0.000 3/29400 600.0 1.074 0.934 1.660 0.000 -0.267 0.000 3/29400 610.0 1.057 0.919 1.635 0.000 -0.263 0.000 3/29400 620.0 1.041 0.904 1.609 0.000 -0.259 0.000 3/29400 630.0 1.025 0.890 1.585 0.000 -0.255 0.000 3/29400 640.0 1.009 0.877 1.562 0.000 -0.251 0.000 3/29400 650.0 0.994 0.863 1.539 0.000 -0.248 0.000 3/29400 660.0 0.979 0.850 1.516 0.000 -0.244 0.000 3/29400 670.0 0.965 0.838 1.495 0.000 -0.241 0.000 3/29400 680.0 0.951 0.826 1.474 0.000 -0.237 0.000 3/29400 690.0 0.938 0.814 1.453 0.000 -0.234 0.000 3/29400 700.0 0.925 0.803 1.433 0.000 -0.231 0.000 3/29400 710.0 0.912 0.791 1.414 0.000 -0.228 0.000 3/29400 720.0 0.899 0.781 1.395 0.000 -0.225 0.000 3/29400 730.0 0.887 0.770 1.377 0.000 -0.222 0.000 3/29400 740.0 0.876 0.760 1.359 0.000 -0.219 0.000 3/29400 750.0 0.864 0.750 1.341 0.000 -0.217 0.000 3/29400 760.0 0.853 0.740 1.324 0.000 -0.214 0.000 3/29400 770.0 0.842 0.731 1.308 0.000 -0.211 0.000 3/29400 780.0 0.832 0.721 1.292 0.000 -0.209 0.000 3/29400 790.0 0.821 0.712 1.276 0.000 -0.206 0.000 3/29400 800.0 0.811 0.704 1.260 0.000 -0.204 0.000 3/29400 810.0 0.801 0.695 1.245 0.000 -0.201 0.000 3/29400 820.0 0.792 0.687 1.231 0.000 -0.199 0.000 3/29400 830.0 0.782 0.678 1.216 0.000 -0.197 0.000 3/29400 840.0 0.773 0.670 1.202 0.000 -0.194 0.000 3/29400 850.0 0.764 0.663 1.189 0.000 -0.192 0.000 3/29400 860.0 0.756 0.655 1.175 0.000 -0.190 0.000 3/29400 870.0 0.747 0.648 1.162 0.000 -0.188 0.000 3/29400 880.0 0.739 0.640 1.149 0.000 -0.186 0.000 3/29400 890.0 0.730 0.633 1.137 0.000 -0.184 0.000 3/29400 900.0 0.722 0.626 1.124 0.000 -0.182 0.000 3/29400 910.0 0.715 0.619 1.112 0.000 -0.180 0.000 3/29400 920.0 0.707 0.613 1.100 0.000 -0.178 0.000 3/29400 930.0 0.699 0.606 1.089 0.000 -0.176 0.000 3/29400 940.0 0.692 0.600 1.078 0.000 -0.174 0.000 3/29400 950.0 0.685 0.594 1.067 0.000 -0.173 0.000 3/29400 960.0 0.678 0.587 1.056 0.000 -0.171 0.000 3/29400 970.0 0.671 0.581 1.045 0.000 -0.169 0.000 3/29400 980.0 0.664 0.576 1.035 0.000 -0.168 0.000 3/29400 990.0 0.658 0.570 1.024 0.000 -0.166 0.000 3/29400 1000.0 0.651 0.564 1.014 0.000 -0.164 0.000 3/29400 Thermal conductivity related properties were written into "kappa-m1057.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:35:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|