----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:46:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.277231820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.324120599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.495883090000000 Atomic positions (fractional): *1 F 0.13499952677226 0.44654511615934 0.68013787504607 18.998 2 F 0.86500047322774 0.94654511615934 0.31986212495393 18.998 3 F 0.36500047322774 0.55345488384066 0.18013787504607 18.998 4 F 0.63499952677226 0.05345488384066 0.81986212495393 18.998 5 F 0.86500047322774 0.55345488384066 0.31986212495393 18.998 6 F 0.13499952677226 0.05345488384066 0.68013787504607 18.998 7 F 0.63499952677226 0.44654511615934 0.81986212495393 18.998 8 F 0.36500047322774 0.94654511615934 0.18013787504607 18.998 *9 F 0.12513792729230 0.49458864147463 0.29627421465676 18.998 10 F 0.87486207270770 0.99458864147463 0.70372578534324 18.998 11 F 0.37486207270770 0.50541135852537 0.79627421465676 18.998 12 F 0.62513792729230 0.00541135852537 0.20372578534324 18.998 13 F 0.87486207270770 0.50541135852537 0.70372578534324 18.998 14 F 0.12513792729230 0.00541135852537 0.29627421465676 18.998 15 F 0.62513792729230 0.49458864147463 0.20372578534324 18.998 16 F 0.37486207270770 0.99458864147463 0.79627421465676 18.998 *17 F 0.36326456829169 0.25000000000000 0.51708217056118 18.998 18 F 0.63673543170831 0.75000000000000 0.48291782943882 18.998 19 F 0.13673543170831 0.75000000000000 0.01708217056118 18.998 20 F 0.86326456829169 0.25000000000000 0.98291782943882 18.998 *21 F 0.15501344724681 0.25000000000000 0.99017317458263 18.998 22 F 0.84498655275319 0.75000000000000 0.00982682541736 18.998 23 F 0.34498655275319 0.75000000000000 0.49017317458263 18.998 24 F 0.65501344724681 0.25000000000000 0.50982682541737 18.998 *25 F 0.43450556082418 0.25000000000000 0.01458205607489 18.998 26 F 0.56549443917582 0.75000000000000 0.98541794392510 18.998 27 F 0.06549443917582 0.75000000000000 0.51458205607490 18.998 28 F 0.93450556082418 0.25000000000000 0.48541794392511 18.998 *29 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 30 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 31 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 32 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *33 Na 0.26790481469117 0.25000000000000 0.24216389620718 22.990 34 Na 0.76790481469117 0.25000000000000 0.25783610379282 22.990 35 Na 0.23209518530883 0.75000000000000 0.74216389620718 22.990 36 Na 0.73209518530883 0.75000000000000 0.75783610379282 22.990 *37 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 38 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 39 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 40 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 *41 In 0.27305159227362 0.25000000000000 0.76775038771593 114.818 42 In 0.72694840772638 0.75000000000000 0.23224961228406 114.818 43 In 0.22694840772638 0.75000000000000 0.26775038771594 114.818 44 In 0.77305159227362 0.25000000000000 0.73224961228407 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.277231820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.324120599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.495883090000000 Atomic positions (fractional): *1 F 0.13499952677226 0.44654511615934 0.68013787504607 18.998 > 1 2 F 0.86500047322774 0.94654511615934 0.31986212495393 18.998 > 2 3 F 0.36500047322774 0.55345488384066 0.18013787504607 18.998 > 3 4 F 0.63499952677226 0.05345488384066 0.81986212495393 18.998 > 4 5 F 0.86500047322774 0.55345488384066 0.31986212495393 18.998 > 5 6 F 0.13499952677226 0.05345488384066 0.68013787504607 18.998 > 6 7 F 0.63499952677226 0.44654511615934 0.81986212495393 18.998 > 7 8 F 0.36500047322774 0.94654511615934 0.18013787504607 18.998 > 8 *9 F 0.12513792729230 0.49458864147463 0.29627421465676 18.998 > 9 10 F 0.87486207270770 0.99458864147463 0.70372578534324 18.998 > 10 11 F 0.37486207270770 0.50541135852537 0.79627421465676 18.998 > 11 12 F 0.62513792729230 0.00541135852537 0.20372578534324 18.998 > 12 13 F 0.87486207270770 0.50541135852537 0.70372578534324 18.998 > 13 14 F 0.12513792729230 0.00541135852537 0.29627421465676 18.998 > 14 15 F 0.62513792729230 0.49458864147463 0.20372578534324 18.998 > 15 16 F 0.37486207270770 0.99458864147463 0.79627421465676 18.998 > 16 *17 F 0.36326456829169 0.25000000000000 0.51708217056118 18.998 > 17 18 F 0.63673543170831 0.75000000000000 0.48291782943882 18.998 > 18 19 F 0.13673543170831 0.75000000000000 0.01708217056118 18.998 > 19 20 F 0.86326456829169 0.25000000000000 0.98291782943882 18.998 > 20 *21 F 0.15501344724681 0.25000000000000 0.99017317458263 18.998 > 21 22 F 0.84498655275319 0.75000000000000 0.00982682541736 18.998 > 22 23 F 0.34498655275319 0.75000000000000 0.49017317458263 18.998 > 23 24 F 0.65501344724681 0.25000000000000 0.50982682541737 18.998 > 24 *25 F 0.43450556082418 0.25000000000000 0.01458205607489 18.998 > 25 26 F 0.56549443917582 0.75000000000000 0.98541794392510 18.998 > 26 27 F 0.06549443917582 0.75000000000000 0.51458205607490 18.998 > 27 28 F 0.93450556082418 0.25000000000000 0.48541794392511 18.998 > 28 *29 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 29 30 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 30 31 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 31 32 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 32 *33 Na 0.26790481469117 0.25000000000000 0.24216389620718 22.990 > 33 34 Na 0.76790481469117 0.25000000000000 0.25783610379282 22.990 > 34 35 Na 0.23209518530883 0.75000000000000 0.74216389620718 22.990 > 35 36 Na 0.73209518530883 0.75000000000000 0.75783610379282 22.990 > 36 *37 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 37 38 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 38 39 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 39 40 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 40 *41 In 0.27305159227362 0.25000000000000 0.76775038771593 114.818 > 41 42 In 0.72694840772638 0.75000000000000 0.23224961228406 114.818 > 42 43 In 0.22694840772638 0.75000000000000 0.26775038771594 114.818 > 43 44 In 0.77305159227362 0.25000000000000 0.73224961228407 114.818 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.277231820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.648241199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.495883090000000 Atomic positions (fractional): *1 F 0.13499952677226 0.22327255807967 0.68013787504607 18.998 > 1 2 F 0.13499952677226 0.72327255807967 0.68013787504607 18.998 > 1 3 F 0.86500047322774 0.47327255807967 0.31986212495393 18.998 > 2 4 F 0.86500047322774 0.97327255807967 0.31986212495393 18.998 > 2 5 F 0.36500047322774 0.27672744192033 0.18013787504607 18.998 > 3 6 F 0.36500047322774 0.77672744192033 0.18013787504607 18.998 > 3 7 F 0.63499952677226 0.02672744192033 0.81986212495393 18.998 > 4 8 F 0.63499952677226 0.52672744192033 0.81986212495393 18.998 > 4 9 F 0.86500047322774 0.27672744192033 0.31986212495393 18.998 > 5 10 F 0.86500047322774 0.77672744192033 0.31986212495393 18.998 > 5 11 F 0.13499952677226 0.02672744192033 0.68013787504607 18.998 > 6 12 F 0.13499952677226 0.52672744192033 0.68013787504607 18.998 > 6 13 F 0.63499952677226 0.22327255807967 0.81986212495393 18.998 > 7 14 F 0.63499952677226 0.72327255807967 0.81986212495393 18.998 > 7 15 F 0.36500047322774 0.47327255807967 0.18013787504607 18.998 > 8 16 F 0.36500047322774 0.97327255807967 0.18013787504607 18.998 > 8 *17 F 0.12513792729230 0.24729432073732 0.29627421465676 18.998 > 9 18 F 0.12513792729230 0.74729432073732 0.29627421465676 18.998 > 9 19 F 0.87486207270770 0.49729432073732 0.70372578534324 18.998 > 10 20 F 0.87486207270770 0.99729432073732 0.70372578534324 18.998 > 10 21 F 0.37486207270770 0.25270567926268 0.79627421465676 18.998 > 11 22 F 0.37486207270770 0.75270567926268 0.79627421465676 18.998 > 11 23 F 0.62513792729230 0.00270567926268 0.20372578534324 18.998 > 12 24 F 0.62513792729230 0.50270567926268 0.20372578534324 18.998 > 12 25 F 0.87486207270770 0.25270567926268 0.70372578534324 18.998 > 13 26 F 0.87486207270770 0.75270567926268 0.70372578534324 18.998 > 13 27 F 0.12513792729230 0.00270567926268 0.29627421465676 18.998 > 14 28 F 0.12513792729230 0.50270567926268 0.29627421465676 18.998 > 14 29 F 0.62513792729230 0.24729432073732 0.20372578534324 18.998 > 15 30 F 0.62513792729230 0.74729432073732 0.20372578534324 18.998 > 15 31 F 0.37486207270770 0.49729432073732 0.79627421465676 18.998 > 16 32 F 0.37486207270770 0.99729432073732 0.79627421465676 18.998 > 16 *33 F 0.36326456829169 0.12500000000000 0.51708217056118 18.998 > 17 34 F 0.36326456829169 0.62500000000000 0.51708217056118 18.998 > 17 35 F 0.63673543170831 0.37500000000000 0.48291782943882 18.998 > 18 36 F 0.63673543170831 0.87500000000000 0.48291782943882 18.998 > 18 37 F 0.13673543170831 0.37500000000000 0.01708217056118 18.998 > 19 38 F 0.13673543170831 0.87500000000000 0.01708217056118 18.998 > 19 39 F 0.86326456829169 0.12500000000000 0.98291782943882 18.998 > 20 40 F 0.86326456829169 0.62500000000000 0.98291782943882 18.998 > 20 *41 F 0.15501344724681 0.12500000000000 0.99017317458263 18.998 > 21 42 F 0.15501344724681 0.62500000000000 0.99017317458263 18.998 > 21 43 F 0.84498655275319 0.37500000000000 0.00982682541736 18.998 > 22 44 F 0.84498655275319 0.87500000000000 0.00982682541736 18.998 > 22 45 F 0.34498655275319 0.37500000000000 0.49017317458263 18.998 > 23 46 F 0.34498655275319 0.87500000000000 0.49017317458263 18.998 > 23 47 F 0.65501344724681 0.12500000000000 0.50982682541737 18.998 > 24 48 F 0.65501344724681 0.62500000000000 0.50982682541737 18.998 > 24 *49 F 0.43450556082418 0.12500000000000 0.01458205607489 18.998 > 25 50 F 0.43450556082418 0.62500000000000 0.01458205607489 18.998 > 25 51 F 0.56549443917582 0.37500000000000 0.98541794392510 18.998 > 26 52 F 0.56549443917582 0.87500000000000 0.98541794392510 18.998 > 26 53 F 0.06549443917582 0.37500000000000 0.51458205607490 18.998 > 27 54 F 0.06549443917582 0.87500000000000 0.51458205607490 18.998 > 27 55 F 0.93450556082418 0.12500000000000 0.48541794392511 18.998 > 28 56 F 0.93450556082418 0.62500000000000 0.48541794392511 18.998 > 28 *57 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 29 58 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 29 59 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 30 60 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 30 61 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 31 62 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 31 63 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 32 64 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 32 *65 Na 0.26790481469117 0.12500000000000 0.24216389620718 22.990 > 33 66 Na 0.26790481469117 0.62500000000000 0.24216389620718 22.990 > 33 67 Na 0.76790481469117 0.12500000000000 0.25783610379282 22.990 > 34 68 Na 0.76790481469117 0.62500000000000 0.25783610379282 22.990 > 34 69 Na 0.23209518530883 0.37500000000000 0.74216389620718 22.990 > 35 70 Na 0.23209518530883 0.87500000000000 0.74216389620718 22.990 > 35 71 Na 0.73209518530883 0.37500000000000 0.75783610379282 22.990 > 36 72 Na 0.73209518530883 0.87500000000000 0.75783610379282 22.990 > 36 *73 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 37 74 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 37 75 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 38 76 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 38 77 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 39 78 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 39 79 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 40 80 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 40 *81 In 0.27305159227362 0.12500000000000 0.76775038771593 114.818 > 41 82 In 0.27305159227362 0.62500000000000 0.76775038771593 114.818 > 41 83 In 0.72694840772638 0.37500000000000 0.23224961228406 114.818 > 42 84 In 0.72694840772638 0.87500000000000 0.23224961228406 114.818 > 42 85 In 0.22694840772638 0.37500000000000 0.26775038771594 114.818 > 43 86 In 0.22694840772638 0.87500000000000 0.26775038771594 114.818 > 43 87 In 0.77305159227362 0.12500000000000 0.73224961228407 114.818 > 44 88 In 0.77305159227362 0.62500000000000 0.73224961228407 114.818 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0985672 0.0000000 0.0000000 0.0000000 2.0917650 0.0000000 0.0000000 0.0000000 2.0750576 -------------------------- Born effective charges -------------------------- 1 F -1.1298547 0.2281560 -0.2357265 0.2331252 -1.0092802 0.1762344 -0.2371480 0.1517296 -0.9366098 2 F -1.1298547 -0.2281560 -0.2357265 -0.2331252 -1.0092802 -0.1762344 -0.2371480 -0.1517296 -0.9366098 3 F -1.1298547 0.2281560 0.2357265 0.2331252 -1.0092802 -0.1762344 0.2371480 -0.1517296 -0.9366098 4 F -1.1298547 -0.2281560 0.2357265 -0.2331252 -1.0092802 0.1762344 0.2371480 0.1517296 -0.9366098 5 F -1.1298547 0.2281560 -0.2357265 0.2331252 -1.0092802 0.1762344 -0.2371480 0.1517296 -0.9366098 6 F -1.1298547 -0.2281560 -0.2357265 -0.2331252 -1.0092802 -0.1762344 -0.2371480 -0.1517296 -0.9366098 7 F -1.1298547 0.2281560 0.2357265 0.2331252 -1.0092802 -0.1762344 0.2371480 -0.1517296 -0.9366098 8 F -1.1298547 -0.2281560 0.2357265 -0.2331252 -1.0092802 0.1762344 0.2371480 0.1517296 -0.9366098 9 F -1.0168939 -0.1897166 0.1522090 -0.1705129 -1.1263220 0.0704722 0.1320227 0.0567324 -0.9284393 10 F -1.0168939 0.1897166 0.1522090 0.1705129 -1.1263220 -0.0704722 0.1320227 -0.0567324 -0.9284393 11 F -1.0168939 -0.1897166 -0.1522090 -0.1705129 -1.1263220 -0.0704722 -0.1320227 -0.0567324 -0.9284393 12 F -1.0168939 0.1897166 -0.1522090 0.1705129 -1.1263220 0.0704722 -0.1320227 0.0567324 -0.9284393 13 F -1.0168939 -0.1897166 0.1522090 -0.1705129 -1.1263220 0.0704722 0.1320227 0.0567324 -0.9284393 14 F -1.0168939 0.1897166 0.1522090 0.1705129 -1.1263220 -0.0704722 0.1320227 -0.0567324 -0.9284393 15 F -1.0168939 -0.1897166 -0.1522090 -0.1705129 -1.1263220 -0.0704722 -0.1320227 -0.0567324 -0.9284393 16 F -1.0168939 0.1897166 -0.1522090 0.1705129 -1.1263220 0.0704722 -0.1320227 0.0567324 -0.9284393 17 F -0.9215976 0.0000000 0.1704373 0.0000000 -0.8425074 0.0000000 0.1540210 0.0000000 -1.2173695 18 F -0.9215976 0.0000000 0.1704373 0.0000000 -0.8425074 0.0000000 0.1540210 0.0000000 -1.2173695 19 F -0.9215976 0.0000000 -0.1704373 0.0000000 -0.8425074 0.0000000 -0.1540210 0.0000000 -1.2173695 20 F -0.9215976 0.0000000 -0.1704373 0.0000000 -0.8425074 0.0000000 -0.1540210 0.0000000 -1.2173695 21 F -0.9968199 0.0000000 0.1686544 0.0000000 -0.8312253 0.0000000 0.1845723 0.0000000 -1.1015751 22 F -0.9968199 0.0000000 0.1686544 0.0000000 -0.8312253 0.0000000 0.1845723 0.0000000 -1.1015751 23 F -0.9968199 0.0000000 -0.1686544 0.0000000 -0.8312253 0.0000000 -0.1845723 0.0000000 -1.1015751 24 F -0.9968199 0.0000000 -0.1686544 0.0000000 -0.8312253 0.0000000 -0.1845723 0.0000000 -1.1015751 25 F -1.0280066 0.0000000 -0.1339082 0.0000000 -1.1607115 0.0000000 -0.1440989 0.0000000 -0.9643623 26 F -1.0280066 0.0000000 -0.1339082 0.0000000 -1.1607115 0.0000000 -0.1440989 0.0000000 -0.9643623 27 F -1.0280066 0.0000000 0.1339082 0.0000000 -1.1607115 0.0000000 0.1440989 0.0000000 -0.9643623 28 F -1.0280066 0.0000000 0.1339082 0.0000000 -1.1607115 0.0000000 0.1440989 0.0000000 -0.9643623 29 Na 1.1733496 0.0395329 0.0148375 0.0081671 1.0497311 -0.1268163 0.0325823 -0.1789943 1.0818839 30 Na 1.1733496 -0.0395329 0.0148375 -0.0081671 1.0497311 0.1268163 0.0325823 0.1789943 1.0818839 31 Na 1.1733496 0.0395329 -0.0148375 0.0081671 1.0497311 0.1268163 -0.0325823 0.1789943 1.0818839 32 Na 1.1733496 -0.0395329 -0.0148375 -0.0081671 1.0497311 -0.1268163 -0.0325823 -0.1789943 1.0818839 33 Na 0.9272342 0.0000000 -0.0543447 0.0000000 1.1852692 0.0000000 0.0118550 0.0000000 1.1381745 34 Na 0.9272342 0.0000000 0.0543447 0.0000000 1.1852692 0.0000000 -0.0118550 0.0000000 1.1381745 35 Na 0.9272342 0.0000000 0.0543447 0.0000000 1.1852692 0.0000000 -0.0118550 0.0000000 1.1381745 36 Na 0.9272342 0.0000000 -0.0543447 0.0000000 1.1852692 0.0000000 0.0118550 0.0000000 1.1381745 37 Mg 2.1447564 0.1219064 -0.0464254 0.1244166 1.9125839 0.3773765 -0.0300717 0.2037944 1.9545518 38 Mg 2.1447564 0.1219064 0.0464254 0.1244166 1.9125839 -0.3773765 0.0300717 -0.2037944 1.9545518 39 Mg 2.1447564 -0.1219064 -0.0464254 -0.1244166 1.9125839 -0.3773765 -0.0300717 -0.2037944 1.9545518 40 Mg 2.1447564 -0.1219064 0.0464254 -0.1244166 1.9125839 0.3773765 0.0300717 0.2037944 1.9545518 41 In 2.9945812 0.0000000 0.1421566 0.0000000 2.9580644 0.0000000 0.1726567 0.0000000 2.8387948 42 In 2.9945812 0.0000000 0.1421566 0.0000000 2.9580644 0.0000000 0.1726567 0.0000000 2.8387948 43 In 2.9945812 0.0000000 -0.1421566 0.0000000 2.9580644 0.0000000 -0.1726567 0.0000000 2.8387948 44 In 2.9945812 0.0000000 -0.1421566 0.0000000 2.9580644 0.0000000 -0.1726567 0.0000000 2.8387948 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2338 Number of blocks in projector: 2338 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: 542 Use submatrix version of eigh solver. (1) Block: 542 / 542 (2) Block: 250 / 542 (2) 232 eigenvectors found. (2) Block: 542 / 542 (2) 274 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 524 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 304 Use standard eigh solver. Tree of FC basis block matrices: - (2338, 2277), data: False |-- (304, 295), data: True |-- (304, 295), data: True |-- (304, 295), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (542, 524), data: False |-- (542, 524), data: False |-- (542, 18), data: (542, 36) @ (36, 18) |-- (292, 274), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.540 Solver_block: 200 / 720 - Time: 0.446 Solver_block: 300 / 720 - Time: 0.447 Solver_block: 400 / 720 - Time: 0.449 Solver_block: 500 / 720 - Time: 0.446 Solver_block: 600 / 720 - Time: 0.446 Solver_block: 700 / 720 - Time: 0.447 Solver_block: 720 / 720 - Time: 0.175 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.497 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2338 Number of blocks in projector: 2338 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: 542 Use submatrix version of eigh solver. (1) Block: 542 / 542 (2) Block: 250 / 542 (2) 232 eigenvectors found. (2) Block: 542 / 542 (2) 274 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 524 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 304 Use standard eigh solver. Tree of FC basis block matrices: - (2338, 2277), data: False |-- (304, 295), data: True |-- (304, 295), data: True |-- (304, 295), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (542, 524), data: False |-- (542, 524), data: False |-- (542, 18), data: (542, 36) @ (36, 18) |-- (292, 274), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:47:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:47:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.277231820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.324120599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.495883090000000 Atomic positions (fractional): 1 F 0.13499952677226 0.44654511615934 0.68013787504607 18.998 2 F 0.86500047322774 0.94654511615934 0.31986212495393 18.998 3 F 0.36500047322774 0.55345488384066 0.18013787504607 18.998 4 F 0.63499952677226 0.05345488384066 0.81986212495393 18.998 5 F 0.86500047322774 0.55345488384066 0.31986212495393 18.998 6 F 0.13499952677226 0.05345488384066 0.68013787504607 18.998 7 F 0.63499952677226 0.44654511615934 0.81986212495393 18.998 8 F 0.36500047322774 0.94654511615934 0.18013787504607 18.998 9 F 0.12513792729230 0.49458864147463 0.29627421465676 18.998 10 F 0.87486207270770 0.99458864147463 0.70372578534324 18.998 11 F 0.37486207270770 0.50541135852537 0.79627421465676 18.998 12 F 0.62513792729230 0.00541135852537 0.20372578534324 18.998 13 F 0.87486207270770 0.50541135852537 0.70372578534324 18.998 14 F 0.12513792729230 0.00541135852537 0.29627421465676 18.998 15 F 0.62513792729230 0.49458864147463 0.20372578534324 18.998 16 F 0.37486207270770 0.99458864147463 0.79627421465676 18.998 17 F 0.36326456829169 0.25000000000000 0.51708217056118 18.998 18 F 0.63673543170831 0.75000000000000 0.48291782943882 18.998 19 F 0.13673543170831 0.75000000000000 0.01708217056118 18.998 20 F 0.86326456829169 0.25000000000000 0.98291782943882 18.998 21 F 0.15501344724681 0.25000000000000 0.99017317458263 18.998 22 F 0.84498655275319 0.75000000000000 0.00982682541736 18.998 23 F 0.34498655275319 0.75000000000000 0.49017317458263 18.998 24 F 0.65501344724681 0.25000000000000 0.50982682541737 18.998 25 F 0.43450556082418 0.25000000000000 0.01458205607489 18.998 26 F 0.56549443917582 0.75000000000000 0.98541794392510 18.998 27 F 0.06549443917582 0.75000000000000 0.51458205607490 18.998 28 F 0.93450556082418 0.25000000000000 0.48541794392511 18.998 29 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 30 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 31 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 32 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 33 Na 0.26790481469117 0.25000000000000 0.24216389620718 22.990 34 Na 0.76790481469117 0.25000000000000 0.25783610379282 22.990 35 Na 0.23209518530883 0.75000000000000 0.74216389620718 22.990 36 Na 0.73209518530883 0.75000000000000 0.75783610379282 22.990 37 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 38 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 39 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 40 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 41 In 0.27305159227362 0.25000000000000 0.76775038771593 114.818 42 In 0.72694840772638 0.75000000000000 0.23224961228406 114.818 43 In 0.22694840772638 0.75000000000000 0.26775038771594 114.818 44 In 0.77305159227362 0.25000000000000 0.73224961228407 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.277231820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.648241199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.495883090000000 Atomic positions (fractional): 1 F 0.13499952677226 0.22327255807967 0.68013787504607 18.998 > 1 2 F 0.13499952677226 0.72327255807967 0.68013787504607 18.998 > 1 3 F 0.86500047322774 0.47327255807967 0.31986212495393 18.998 > 3 4 F 0.86500047322774 0.97327255807967 0.31986212495393 18.998 > 3 5 F 0.36500047322774 0.27672744192033 0.18013787504607 18.998 > 5 6 F 0.36500047322774 0.77672744192033 0.18013787504607 18.998 > 5 7 F 0.63499952677226 0.02672744192033 0.81986212495393 18.998 > 7 8 F 0.63499952677226 0.52672744192033 0.81986212495393 18.998 > 7 9 F 0.86500047322774 0.27672744192033 0.31986212495393 18.998 > 9 10 F 0.86500047322774 0.77672744192033 0.31986212495393 18.998 > 9 11 F 0.13499952677226 0.02672744192033 0.68013787504607 18.998 > 11 12 F 0.13499952677226 0.52672744192033 0.68013787504607 18.998 > 11 13 F 0.63499952677226 0.22327255807967 0.81986212495393 18.998 > 13 14 F 0.63499952677226 0.72327255807967 0.81986212495393 18.998 > 13 15 F 0.36500047322774 0.47327255807967 0.18013787504607 18.998 > 15 16 F 0.36500047322774 0.97327255807967 0.18013787504607 18.998 > 15 17 F 0.12513792729230 0.24729432073732 0.29627421465676 18.998 > 17 18 F 0.12513792729230 0.74729432073732 0.29627421465676 18.998 > 17 19 F 0.87486207270770 0.49729432073732 0.70372578534324 18.998 > 19 20 F 0.87486207270770 0.99729432073732 0.70372578534324 18.998 > 19 21 F 0.37486207270770 0.25270567926268 0.79627421465676 18.998 > 21 22 F 0.37486207270770 0.75270567926268 0.79627421465676 18.998 > 21 23 F 0.62513792729230 0.00270567926268 0.20372578534324 18.998 > 23 24 F 0.62513792729230 0.50270567926268 0.20372578534324 18.998 > 23 25 F 0.87486207270770 0.25270567926268 0.70372578534324 18.998 > 25 26 F 0.87486207270770 0.75270567926268 0.70372578534324 18.998 > 25 27 F 0.12513792729230 0.00270567926268 0.29627421465676 18.998 > 27 28 F 0.12513792729230 0.50270567926268 0.29627421465676 18.998 > 27 29 F 0.62513792729230 0.24729432073732 0.20372578534324 18.998 > 29 30 F 0.62513792729230 0.74729432073732 0.20372578534324 18.998 > 29 31 F 0.37486207270770 0.49729432073732 0.79627421465676 18.998 > 31 32 F 0.37486207270770 0.99729432073732 0.79627421465676 18.998 > 31 33 F 0.36326456829169 0.12500000000000 0.51708217056118 18.998 > 33 34 F 0.36326456829169 0.62500000000000 0.51708217056118 18.998 > 33 35 F 0.63673543170831 0.37500000000000 0.48291782943882 18.998 > 35 36 F 0.63673543170831 0.87500000000000 0.48291782943882 18.998 > 35 37 F 0.13673543170831 0.37500000000000 0.01708217056118 18.998 > 37 38 F 0.13673543170831 0.87500000000000 0.01708217056118 18.998 > 37 39 F 0.86326456829169 0.12500000000000 0.98291782943882 18.998 > 39 40 F 0.86326456829169 0.62500000000000 0.98291782943882 18.998 > 39 41 F 0.15501344724681 0.12500000000000 0.99017317458263 18.998 > 41 42 F 0.15501344724681 0.62500000000000 0.99017317458263 18.998 > 41 43 F 0.84498655275319 0.37500000000000 0.00982682541736 18.998 > 43 44 F 0.84498655275319 0.87500000000000 0.00982682541736 18.998 > 43 45 F 0.34498655275319 0.37500000000000 0.49017317458263 18.998 > 45 46 F 0.34498655275319 0.87500000000000 0.49017317458263 18.998 > 45 47 F 0.65501344724681 0.12500000000000 0.50982682541737 18.998 > 47 48 F 0.65501344724681 0.62500000000000 0.50982682541737 18.998 > 47 49 F 0.43450556082418 0.12500000000000 0.01458205607489 18.998 > 49 50 F 0.43450556082418 0.62500000000000 0.01458205607489 18.998 > 49 51 F 0.56549443917582 0.37500000000000 0.98541794392510 18.998 > 51 52 F 0.56549443917582 0.87500000000000 0.98541794392510 18.998 > 51 53 F 0.06549443917582 0.37500000000000 0.51458205607490 18.998 > 53 54 F 0.06549443917582 0.87500000000000 0.51458205607490 18.998 > 53 55 F 0.93450556082418 0.12500000000000 0.48541794392511 18.998 > 55 56 F 0.93450556082418 0.62500000000000 0.48541794392511 18.998 > 55 57 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 57 58 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 57 59 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 59 60 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 59 61 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 61 62 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 61 63 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 63 64 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 63 65 Na 0.26790481469117 0.12500000000000 0.24216389620718 22.990 > 65 66 Na 0.26790481469117 0.62500000000000 0.24216389620718 22.990 > 65 67 Na 0.76790481469117 0.12500000000000 0.25783610379282 22.990 > 67 68 Na 0.76790481469117 0.62500000000000 0.25783610379282 22.990 > 67 69 Na 0.23209518530883 0.37500000000000 0.74216389620718 22.990 > 69 70 Na 0.23209518530883 0.87500000000000 0.74216389620718 22.990 > 69 71 Na 0.73209518530883 0.37500000000000 0.75783610379282 22.990 > 71 72 Na 0.73209518530883 0.87500000000000 0.75783610379282 22.990 > 71 73 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 73 74 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 73 75 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 75 76 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 75 77 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 77 78 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 77 79 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 79 80 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 79 81 In 0.27305159227362 0.12500000000000 0.76775038771593 114.818 > 81 82 In 0.27305159227362 0.62500000000000 0.76775038771593 114.818 > 81 83 In 0.72694840772638 0.37500000000000 0.23224961228406 114.818 > 83 84 In 0.72694840772638 0.87500000000000 0.23224961228406 114.818 > 83 85 In 0.22694840772638 0.37500000000000 0.26775038771594 114.818 > 85 86 In 0.22694840772638 0.87500000000000 0.26775038771594 114.818 > 85 87 In 0.77305159227362 0.12500000000000 0.73224961228407 114.818 > 87 88 In 0.77305159227362 0.62500000000000 0.73224961228407 114.818 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0985672 0.0000000 0.0000000 0.0000000 2.0917650 0.0000000 0.0000000 0.0000000 2.0750576 -------------------------- Born effective charges -------------------------- 1 F -1.1298547 0.2281560 -0.2357265 0.2331252 -1.0092802 0.1762344 -0.2371480 0.1517296 -0.9366098 2 F -1.1298547 -0.2281560 -0.2357265 -0.2331252 -1.0092802 -0.1762344 -0.2371480 -0.1517296 -0.9366098 3 F -1.1298547 0.2281560 0.2357265 0.2331252 -1.0092802 -0.1762344 0.2371480 -0.1517296 -0.9366098 4 F -1.1298547 -0.2281560 0.2357265 -0.2331252 -1.0092802 0.1762344 0.2371480 0.1517296 -0.9366098 5 F -1.1298547 0.2281560 -0.2357265 0.2331252 -1.0092802 0.1762344 -0.2371480 0.1517296 -0.9366098 6 F -1.1298547 -0.2281560 -0.2357265 -0.2331252 -1.0092802 -0.1762344 -0.2371480 -0.1517296 -0.9366098 7 F -1.1298547 0.2281560 0.2357265 0.2331252 -1.0092802 -0.1762344 0.2371480 -0.1517296 -0.9366098 8 F -1.1298547 -0.2281560 0.2357265 -0.2331252 -1.0092802 0.1762344 0.2371480 0.1517296 -0.9366098 9 F -1.0168939 -0.1897166 0.1522090 -0.1705129 -1.1263220 0.0704722 0.1320227 0.0567324 -0.9284393 10 F -1.0168939 0.1897166 0.1522090 0.1705129 -1.1263220 -0.0704722 0.1320227 -0.0567324 -0.9284393 11 F -1.0168939 -0.1897166 -0.1522090 -0.1705129 -1.1263220 -0.0704722 -0.1320227 -0.0567324 -0.9284393 12 F -1.0168939 0.1897166 -0.1522090 0.1705129 -1.1263220 0.0704722 -0.1320227 0.0567324 -0.9284393 13 F -1.0168939 -0.1897166 0.1522090 -0.1705129 -1.1263220 0.0704722 0.1320227 0.0567324 -0.9284393 14 F -1.0168939 0.1897166 0.1522090 0.1705129 -1.1263220 -0.0704722 0.1320227 -0.0567324 -0.9284393 15 F -1.0168939 -0.1897166 -0.1522090 -0.1705129 -1.1263220 -0.0704722 -0.1320227 -0.0567324 -0.9284393 16 F -1.0168939 0.1897166 -0.1522090 0.1705129 -1.1263220 0.0704722 -0.1320227 0.0567324 -0.9284393 17 F -0.9215976 0.0000000 0.1704373 0.0000000 -0.8425074 0.0000000 0.1540210 0.0000000 -1.2173695 18 F -0.9215976 0.0000000 0.1704373 0.0000000 -0.8425074 0.0000000 0.1540210 0.0000000 -1.2173695 19 F -0.9215976 0.0000000 -0.1704373 0.0000000 -0.8425074 0.0000000 -0.1540210 0.0000000 -1.2173695 20 F -0.9215976 0.0000000 -0.1704373 0.0000000 -0.8425074 0.0000000 -0.1540210 0.0000000 -1.2173695 21 F -0.9968199 0.0000000 0.1686544 0.0000000 -0.8312253 0.0000000 0.1845723 0.0000000 -1.1015751 22 F -0.9968199 0.0000000 0.1686544 0.0000000 -0.8312253 0.0000000 0.1845723 0.0000000 -1.1015751 23 F -0.9968199 0.0000000 -0.1686544 0.0000000 -0.8312253 0.0000000 -0.1845723 0.0000000 -1.1015751 24 F -0.9968199 0.0000000 -0.1686544 0.0000000 -0.8312253 0.0000000 -0.1845723 0.0000000 -1.1015751 25 F -1.0280066 0.0000000 -0.1339082 0.0000000 -1.1607115 0.0000000 -0.1440989 0.0000000 -0.9643623 26 F -1.0280066 0.0000000 -0.1339082 0.0000000 -1.1607115 0.0000000 -0.1440989 0.0000000 -0.9643623 27 F -1.0280066 0.0000000 0.1339082 0.0000000 -1.1607115 0.0000000 0.1440989 0.0000000 -0.9643623 28 F -1.0280066 0.0000000 0.1339082 0.0000000 -1.1607115 0.0000000 0.1440989 0.0000000 -0.9643623 29 Na 1.1733496 0.0395329 0.0148375 0.0081671 1.0497311 -0.1268163 0.0325823 -0.1789943 1.0818839 30 Na 1.1733496 -0.0395329 0.0148375 -0.0081671 1.0497311 0.1268163 0.0325823 0.1789943 1.0818839 31 Na 1.1733496 0.0395329 -0.0148375 0.0081671 1.0497311 0.1268163 -0.0325823 0.1789943 1.0818839 32 Na 1.1733496 -0.0395329 -0.0148375 -0.0081671 1.0497311 -0.1268163 -0.0325823 -0.1789943 1.0818839 33 Na 0.9272342 0.0000000 -0.0543447 0.0000000 1.1852692 0.0000000 0.0118550 0.0000000 1.1381745 34 Na 0.9272342 0.0000000 0.0543447 0.0000000 1.1852692 0.0000000 -0.0118550 0.0000000 1.1381745 35 Na 0.9272342 0.0000000 0.0543447 0.0000000 1.1852692 0.0000000 -0.0118550 0.0000000 1.1381745 36 Na 0.9272342 0.0000000 -0.0543447 0.0000000 1.1852692 0.0000000 0.0118550 0.0000000 1.1381745 37 Mg 2.1447564 0.1219064 -0.0464254 0.1244166 1.9125839 0.3773765 -0.0300717 0.2037944 1.9545518 38 Mg 2.1447564 0.1219064 0.0464254 0.1244166 1.9125839 -0.3773765 0.0300717 -0.2037944 1.9545518 39 Mg 2.1447564 -0.1219064 -0.0464254 -0.1244166 1.9125839 -0.3773765 -0.0300717 -0.2037944 1.9545518 40 Mg 2.1447564 -0.1219064 0.0464254 -0.1244166 1.9125839 0.3773765 0.0300717 0.2037944 1.9545518 41 In 2.9945812 0.0000000 0.1421566 0.0000000 2.9580644 0.0000000 0.1726567 0.0000000 2.8387948 42 In 2.9945812 0.0000000 0.1421566 0.0000000 2.9580644 0.0000000 0.1726567 0.0000000 2.8387948 43 In 2.9945812 0.0000000 -0.1421566 0.0000000 2.9580644 0.0000000 -0.1726567 0.0000000 2.8387948 44 In 2.9945812 0.0000000 -0.1421566 0.0000000 2.9580644 0.0000000 -0.1726567 0.0000000 2.8387948 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:47:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:47:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.277231820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.324120599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.495883090000000 Atomic positions (fractional): 1 F 0.13499952677226 0.44654511615934 0.68013787504607 18.998 2 F 0.86500047322774 0.94654511615934 0.31986212495393 18.998 3 F 0.36500047322774 0.55345488384066 0.18013787504607 18.998 4 F 0.63499952677226 0.05345488384066 0.81986212495393 18.998 5 F 0.86500047322774 0.55345488384066 0.31986212495393 18.998 6 F 0.13499952677226 0.05345488384066 0.68013787504607 18.998 7 F 0.63499952677226 0.44654511615934 0.81986212495393 18.998 8 F 0.36500047322774 0.94654511615934 0.18013787504607 18.998 9 F 0.12513792729230 0.49458864147463 0.29627421465676 18.998 10 F 0.87486207270770 0.99458864147463 0.70372578534324 18.998 11 F 0.37486207270770 0.50541135852537 0.79627421465676 18.998 12 F 0.62513792729230 0.00541135852537 0.20372578534324 18.998 13 F 0.87486207270770 0.50541135852537 0.70372578534324 18.998 14 F 0.12513792729230 0.00541135852537 0.29627421465676 18.998 15 F 0.62513792729230 0.49458864147463 0.20372578534324 18.998 16 F 0.37486207270770 0.99458864147463 0.79627421465676 18.998 17 F 0.36326456829169 0.25000000000000 0.51708217056118 18.998 18 F 0.63673543170831 0.75000000000000 0.48291782943882 18.998 19 F 0.13673543170831 0.75000000000000 0.01708217056118 18.998 20 F 0.86326456829169 0.25000000000000 0.98291782943882 18.998 21 F 0.15501344724681 0.25000000000000 0.99017317458263 18.998 22 F 0.84498655275319 0.75000000000000 0.00982682541736 18.998 23 F 0.34498655275319 0.75000000000000 0.49017317458263 18.998 24 F 0.65501344724681 0.25000000000000 0.50982682541737 18.998 25 F 0.43450556082418 0.25000000000000 0.01458205607489 18.998 26 F 0.56549443917582 0.75000000000000 0.98541794392510 18.998 27 F 0.06549443917582 0.75000000000000 0.51458205607490 18.998 28 F 0.93450556082418 0.25000000000000 0.48541794392511 18.998 29 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 30 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 31 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 32 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 33 Na 0.26790481469117 0.25000000000000 0.24216389620718 22.990 34 Na 0.76790481469117 0.25000000000000 0.25783610379282 22.990 35 Na 0.23209518530883 0.75000000000000 0.74216389620718 22.990 36 Na 0.73209518530883 0.75000000000000 0.75783610379282 22.990 37 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 38 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 39 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 40 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 41 In 0.27305159227362 0.25000000000000 0.76775038771593 114.818 42 In 0.72694840772638 0.75000000000000 0.23224961228406 114.818 43 In 0.22694840772638 0.75000000000000 0.26775038771594 114.818 44 In 0.77305159227362 0.25000000000000 0.73224961228407 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.277231820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.648241199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.495883090000000 Atomic positions (fractional): 1 F 0.13499952677226 0.22327255807967 0.68013787504607 18.998 > 1 2 F 0.13499952677226 0.72327255807967 0.68013787504607 18.998 > 1 3 F 0.86500047322774 0.47327255807967 0.31986212495393 18.998 > 3 4 F 0.86500047322774 0.97327255807967 0.31986212495393 18.998 > 3 5 F 0.36500047322774 0.27672744192033 0.18013787504607 18.998 > 5 6 F 0.36500047322774 0.77672744192033 0.18013787504607 18.998 > 5 7 F 0.63499952677226 0.02672744192033 0.81986212495393 18.998 > 7 8 F 0.63499952677226 0.52672744192033 0.81986212495393 18.998 > 7 9 F 0.86500047322774 0.27672744192033 0.31986212495393 18.998 > 9 10 F 0.86500047322774 0.77672744192033 0.31986212495393 18.998 > 9 11 F 0.13499952677226 0.02672744192033 0.68013787504607 18.998 > 11 12 F 0.13499952677226 0.52672744192033 0.68013787504607 18.998 > 11 13 F 0.63499952677226 0.22327255807967 0.81986212495393 18.998 > 13 14 F 0.63499952677226 0.72327255807967 0.81986212495393 18.998 > 13 15 F 0.36500047322774 0.47327255807967 0.18013787504607 18.998 > 15 16 F 0.36500047322774 0.97327255807967 0.18013787504607 18.998 > 15 17 F 0.12513792729230 0.24729432073732 0.29627421465676 18.998 > 17 18 F 0.12513792729230 0.74729432073732 0.29627421465676 18.998 > 17 19 F 0.87486207270770 0.49729432073732 0.70372578534324 18.998 > 19 20 F 0.87486207270770 0.99729432073732 0.70372578534324 18.998 > 19 21 F 0.37486207270770 0.25270567926268 0.79627421465676 18.998 > 21 22 F 0.37486207270770 0.75270567926268 0.79627421465676 18.998 > 21 23 F 0.62513792729230 0.00270567926268 0.20372578534324 18.998 > 23 24 F 0.62513792729230 0.50270567926268 0.20372578534324 18.998 > 23 25 F 0.87486207270770 0.25270567926268 0.70372578534324 18.998 > 25 26 F 0.87486207270770 0.75270567926268 0.70372578534324 18.998 > 25 27 F 0.12513792729230 0.00270567926268 0.29627421465676 18.998 > 27 28 F 0.12513792729230 0.50270567926268 0.29627421465676 18.998 > 27 29 F 0.62513792729230 0.24729432073732 0.20372578534324 18.998 > 29 30 F 0.62513792729230 0.74729432073732 0.20372578534324 18.998 > 29 31 F 0.37486207270770 0.49729432073732 0.79627421465676 18.998 > 31 32 F 0.37486207270770 0.99729432073732 0.79627421465676 18.998 > 31 33 F 0.36326456829169 0.12500000000000 0.51708217056118 18.998 > 33 34 F 0.36326456829169 0.62500000000000 0.51708217056118 18.998 > 33 35 F 0.63673543170831 0.37500000000000 0.48291782943882 18.998 > 35 36 F 0.63673543170831 0.87500000000000 0.48291782943882 18.998 > 35 37 F 0.13673543170831 0.37500000000000 0.01708217056118 18.998 > 37 38 F 0.13673543170831 0.87500000000000 0.01708217056118 18.998 > 37 39 F 0.86326456829169 0.12500000000000 0.98291782943882 18.998 > 39 40 F 0.86326456829169 0.62500000000000 0.98291782943882 18.998 > 39 41 F 0.15501344724681 0.12500000000000 0.99017317458263 18.998 > 41 42 F 0.15501344724681 0.62500000000000 0.99017317458263 18.998 > 41 43 F 0.84498655275319 0.37500000000000 0.00982682541736 18.998 > 43 44 F 0.84498655275319 0.87500000000000 0.00982682541736 18.998 > 43 45 F 0.34498655275319 0.37500000000000 0.49017317458263 18.998 > 45 46 F 0.34498655275319 0.87500000000000 0.49017317458263 18.998 > 45 47 F 0.65501344724681 0.12500000000000 0.50982682541737 18.998 > 47 48 F 0.65501344724681 0.62500000000000 0.50982682541737 18.998 > 47 49 F 0.43450556082418 0.12500000000000 0.01458205607489 18.998 > 49 50 F 0.43450556082418 0.62500000000000 0.01458205607489 18.998 > 49 51 F 0.56549443917582 0.37500000000000 0.98541794392510 18.998 > 51 52 F 0.56549443917582 0.87500000000000 0.98541794392510 18.998 > 51 53 F 0.06549443917582 0.37500000000000 0.51458205607490 18.998 > 53 54 F 0.06549443917582 0.87500000000000 0.51458205607490 18.998 > 53 55 F 0.93450556082418 0.12500000000000 0.48541794392511 18.998 > 55 56 F 0.93450556082418 0.62500000000000 0.48541794392511 18.998 > 55 57 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 57 58 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 57 59 Na 0.00000000000000 0.25000000000000 0.00000000000000 22.990 > 59 60 Na 0.00000000000000 0.75000000000000 0.00000000000000 22.990 > 59 61 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 61 62 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 61 63 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 63 64 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 63 65 Na 0.26790481469117 0.12500000000000 0.24216389620718 22.990 > 65 66 Na 0.26790481469117 0.62500000000000 0.24216389620718 22.990 > 65 67 Na 0.76790481469117 0.12500000000000 0.25783610379282 22.990 > 67 68 Na 0.76790481469117 0.62500000000000 0.25783610379282 22.990 > 67 69 Na 0.23209518530883 0.37500000000000 0.74216389620718 22.990 > 69 70 Na 0.23209518530883 0.87500000000000 0.74216389620718 22.990 > 69 71 Na 0.73209518530883 0.37500000000000 0.75783610379282 22.990 > 71 72 Na 0.73209518530883 0.87500000000000 0.75783610379282 22.990 > 71 73 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 73 74 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 73 75 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 75 76 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 75 77 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 77 78 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 77 79 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 79 80 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 79 81 In 0.27305159227362 0.12500000000000 0.76775038771593 114.818 > 81 82 In 0.27305159227362 0.62500000000000 0.76775038771593 114.818 > 81 83 In 0.72694840772638 0.37500000000000 0.23224961228406 114.818 > 83 84 In 0.72694840772638 0.87500000000000 0.23224961228406 114.818 > 83 85 In 0.22694840772638 0.37500000000000 0.26775038771594 114.818 > 85 86 In 0.22694840772638 0.87500000000000 0.26775038771594 114.818 > 85 87 In 0.77305159227362 0.12500000000000 0.73224961228407 114.818 > 87 88 In 0.77305159227362 0.62500000000000 0.73224961228407 114.818 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0985672 0.0000000 0.0000000 0.0000000 2.0917650 0.0000000 0.0000000 0.0000000 2.0750576 -------------------------- Born effective charges -------------------------- 1 F -1.1298547 0.2281560 -0.2357265 0.2331252 -1.0092802 0.1762344 -0.2371480 0.1517296 -0.9366098 2 F -1.1298547 -0.2281560 -0.2357265 -0.2331252 -1.0092802 -0.1762344 -0.2371480 -0.1517296 -0.9366098 3 F -1.1298547 0.2281560 0.2357265 0.2331252 -1.0092802 -0.1762344 0.2371480 -0.1517296 -0.9366098 4 F -1.1298547 -0.2281560 0.2357265 -0.2331252 -1.0092802 0.1762344 0.2371480 0.1517296 -0.9366098 5 F -1.1298547 0.2281560 -0.2357265 0.2331252 -1.0092802 0.1762344 -0.2371480 0.1517296 -0.9366098 6 F -1.1298547 -0.2281560 -0.2357265 -0.2331252 -1.0092802 -0.1762344 -0.2371480 -0.1517296 -0.9366098 7 F -1.1298547 0.2281560 0.2357265 0.2331252 -1.0092802 -0.1762344 0.2371480 -0.1517296 -0.9366098 8 F -1.1298547 -0.2281560 0.2357265 -0.2331252 -1.0092802 0.1762344 0.2371480 0.1517296 -0.9366098 9 F -1.0168939 -0.1897166 0.1522090 -0.1705129 -1.1263220 0.0704722 0.1320227 0.0567324 -0.9284393 10 F -1.0168939 0.1897166 0.1522090 0.1705129 -1.1263220 -0.0704722 0.1320227 -0.0567324 -0.9284393 11 F -1.0168939 -0.1897166 -0.1522090 -0.1705129 -1.1263220 -0.0704722 -0.1320227 -0.0567324 -0.9284393 12 F -1.0168939 0.1897166 -0.1522090 0.1705129 -1.1263220 0.0704722 -0.1320227 0.0567324 -0.9284393 13 F -1.0168939 -0.1897166 0.1522090 -0.1705129 -1.1263220 0.0704722 0.1320227 0.0567324 -0.9284393 14 F -1.0168939 0.1897166 0.1522090 0.1705129 -1.1263220 -0.0704722 0.1320227 -0.0567324 -0.9284393 15 F -1.0168939 -0.1897166 -0.1522090 -0.1705129 -1.1263220 -0.0704722 -0.1320227 -0.0567324 -0.9284393 16 F -1.0168939 0.1897166 -0.1522090 0.1705129 -1.1263220 0.0704722 -0.1320227 0.0567324 -0.9284393 17 F -0.9215976 0.0000000 0.1704373 0.0000000 -0.8425074 0.0000000 0.1540210 0.0000000 -1.2173695 18 F -0.9215976 0.0000000 0.1704373 0.0000000 -0.8425074 0.0000000 0.1540210 0.0000000 -1.2173695 19 F -0.9215976 0.0000000 -0.1704373 0.0000000 -0.8425074 0.0000000 -0.1540210 0.0000000 -1.2173695 20 F -0.9215976 0.0000000 -0.1704373 0.0000000 -0.8425074 0.0000000 -0.1540210 0.0000000 -1.2173695 21 F -0.9968199 0.0000000 0.1686544 0.0000000 -0.8312253 0.0000000 0.1845723 0.0000000 -1.1015751 22 F -0.9968199 0.0000000 0.1686544 0.0000000 -0.8312253 0.0000000 0.1845723 0.0000000 -1.1015751 23 F -0.9968199 0.0000000 -0.1686544 0.0000000 -0.8312253 0.0000000 -0.1845723 0.0000000 -1.1015751 24 F -0.9968199 0.0000000 -0.1686544 0.0000000 -0.8312253 0.0000000 -0.1845723 0.0000000 -1.1015751 25 F -1.0280066 0.0000000 -0.1339082 0.0000000 -1.1607115 0.0000000 -0.1440989 0.0000000 -0.9643623 26 F -1.0280066 0.0000000 -0.1339082 0.0000000 -1.1607115 0.0000000 -0.1440989 0.0000000 -0.9643623 27 F -1.0280066 0.0000000 0.1339082 0.0000000 -1.1607115 0.0000000 0.1440989 0.0000000 -0.9643623 28 F -1.0280066 0.0000000 0.1339082 0.0000000 -1.1607115 0.0000000 0.1440989 0.0000000 -0.9643623 29 Na 1.1733496 0.0395329 0.0148375 0.0081671 1.0497311 -0.1268163 0.0325823 -0.1789943 1.0818839 30 Na 1.1733496 -0.0395329 0.0148375 -0.0081671 1.0497311 0.1268163 0.0325823 0.1789943 1.0818839 31 Na 1.1733496 0.0395329 -0.0148375 0.0081671 1.0497311 0.1268163 -0.0325823 0.1789943 1.0818839 32 Na 1.1733496 -0.0395329 -0.0148375 -0.0081671 1.0497311 -0.1268163 -0.0325823 -0.1789943 1.0818839 33 Na 0.9272342 0.0000000 -0.0543447 0.0000000 1.1852692 0.0000000 0.0118550 0.0000000 1.1381745 34 Na 0.9272342 0.0000000 0.0543447 0.0000000 1.1852692 0.0000000 -0.0118550 0.0000000 1.1381745 35 Na 0.9272342 0.0000000 0.0543447 0.0000000 1.1852692 0.0000000 -0.0118550 0.0000000 1.1381745 36 Na 0.9272342 0.0000000 -0.0543447 0.0000000 1.1852692 0.0000000 0.0118550 0.0000000 1.1381745 37 Mg 2.1447564 0.1219064 -0.0464254 0.1244166 1.9125839 0.3773765 -0.0300717 0.2037944 1.9545518 38 Mg 2.1447564 0.1219064 0.0464254 0.1244166 1.9125839 -0.3773765 0.0300717 -0.2037944 1.9545518 39 Mg 2.1447564 -0.1219064 -0.0464254 -0.1244166 1.9125839 -0.3773765 -0.0300717 -0.2037944 1.9545518 40 Mg 2.1447564 -0.1219064 0.0464254 -0.1244166 1.9125839 0.3773765 0.0300717 0.2037944 1.9545518 41 In 2.9945812 0.0000000 0.1421566 0.0000000 2.9580644 0.0000000 0.1726567 0.0000000 2.8387948 42 In 2.9945812 0.0000000 0.1421566 0.0000000 2.9580644 0.0000000 0.1726567 0.0000000 2.8387948 43 In 2.9945812 0.0000000 -0.1421566 0.0000000 2.9580644 0.0000000 -0.1726567 0.0000000 2.8387948 44 In 2.9945812 0.0000000 -0.1421566 0.0000000 2.9580644 0.0000000 -0.1726567 0.0000000 2.8387948 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 7 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: 0.50, Number of G-points: 307, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.715 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.845 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.003 ( 0.000 0.000 0.000) 0.000 5.070 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.401 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.877 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.315 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.466 ( 0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 0.000) 0.000 6.617 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 0.000 0.000) 0.000 6.812 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.547 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 0.000) 0.000 7.649 ( 0.000 0.000 0.000) 0.000 7.655 ( 0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 7.827 ( 0.000 0.000 0.000) 0.000 8.143 ( 0.000 0.000 0.000) 0.000 8.243 ( 0.000 0.000 0.000) 0.000 8.481 ( 0.000 0.000 0.000) 0.000 8.503 ( 0.000 0.000 0.000) 0.000 8.829 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 8.901 ( 0.000 0.000 0.000) 0.000 8.904 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.624 ( 0.000 0.000 0.000) 0.000 9.754 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 10.104 ( 0.000 0.000 0.000) 0.000 10.182 ( 0.000 0.000 0.000) 0.000 10.244 ( 0.000 0.000 0.000) 0.000 10.305 ( 0.000 0.000 0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 10.711 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 10.846 ( 0.000 0.000 0.000) 0.000 10.918 ( 0.000 0.000 0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 11.282 ( 0.000 0.000 0.000) 0.000 11.428 ( 0.000 0.000 0.000) 0.000 12.047 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 12.287 ( 0.000 0.000 0.000) 0.000 12.502 ( 0.000 0.000 0.000) 0.000 12.672 ( 0.000 0.000 0.000) 0.000 12.858 ( 0.000 0.000 0.000) 0.000 12.899 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.102 ( 0.000 0.000 0.000) 0.000 13.205 ( 0.000 0.000 0.000) 0.000 13.387 ( 0.000 0.000 0.000) 0.000 13.422 ( 0.000 0.000 0.000) 0.000 13.797 ( 0.000 0.000 0.000) 0.000 13.827 ( 0.000 0.000 0.000) 0.000 14.257 ( 0.000 0.000 0.000) 0.000 14.272 ( 0.000 0.000 0.000) 0.000 14.400 ( 0.000 0.000 0.000) 0.000 14.711 ( 0.000 0.000 0.000) 0.000 15.115 ( 0.000 0.000 0.000) 0.000 15.309 ( 0.000 0.000 0.000) 0.000 15.595 ( 0.000 0.000 0.000) 0.000 15.625 ( 0.000 0.000 0.000) 0.000 16.250 ( 0.000 0.000 0.000) 0.000 16.510 ( 0.000 0.000 0.000) 0.000 16.621 ( 0.000 0.000 0.000) 0.000 16.637 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 26.694 0.000 0.000) 26.694 0.580 ( 29.664 0.000 0.000) 29.664 0.872 ( 16.797 0.000 0.000) 16.797 1.012 ( 47.354 0.000 0.000) 47.354 1.731 ( 0.912 0.000 0.000) 0.912 1.812 ( 1.669 0.000 0.000) 1.669 1.982 ( -7.461 0.000 0.000) 7.461 2.090 ( -10.196 0.000 0.000) 10.196 2.319 ( -23.220 0.000 0.000) 23.220 2.385 ( 4.078 0.000 0.000) 4.078 2.448 ( 1.621 0.000 0.000) 1.621 2.551 ( 3.737 0.000 0.000) 3.737 2.597 ( -10.432 0.000 0.000) 10.432 2.695 ( -13.142 0.000 0.000) 13.142 2.740 ( -5.807 0.000 0.000) 5.807 2.838 ( -3.873 0.000 0.000) 3.873 2.958 ( -3.939 0.000 0.000) 3.939 3.050 ( 5.946 0.000 0.000) 5.946 3.060 ( -0.679 0.000 0.000) 0.679 3.094 ( 12.168 0.000 0.000) 12.168 3.212 ( 8.531 0.000 0.000) 8.531 3.301 ( -0.408 0.000 0.000) 0.408 3.315 ( -8.946 0.000 0.000) 8.946 3.418 ( -4.372 0.000 0.000) 4.372 3.552 ( -2.250 0.000 0.000) 2.250 3.769 ( 11.856 0.000 0.000) 11.856 3.780 ( 4.265 0.000 0.000) 4.265 3.884 ( -3.210 0.000 0.000) 3.210 3.968 ( 3.129 0.000 0.000) 3.129 3.983 ( -0.687 0.000 0.000) 0.687 4.065 ( 10.140 0.000 0.000) 10.140 4.092 ( 11.064 0.000 0.000) 11.064 4.257 ( -10.573 0.000 0.000) 10.573 4.309 ( 5.650 0.000 0.000) 5.650 4.344 ( -1.797 0.000 0.000) 1.797 4.385 ( -6.187 0.000 0.000) 6.187 4.402 ( -1.667 0.000 0.000) 1.667 4.895 ( 1.349 0.000 0.000) 1.349 4.900 ( 0.505 0.000 0.000) 0.505 4.919 ( -1.884 0.000 0.000) 1.884 4.971 ( 1.284 0.000 0.000) 1.284 5.087 ( -2.189 0.000 0.000) 2.189 5.117 ( -0.267 0.000 0.000) 0.267 5.175 ( -9.204 0.000 0.000) 9.204 5.189 ( -2.146 0.000 0.000) 2.146 5.214 ( 9.687 0.000 0.000) 9.687 5.223 ( 1.611 0.000 0.000) 1.611 5.293 ( -0.817 0.000 0.000) 0.817 5.312 ( -3.168 0.000 0.000) 3.168 5.327 ( -1.599 0.000 0.000) 1.599 5.429 ( 4.616 0.000 0.000) 4.616 5.551 ( 0.345 0.000 0.000) 0.345 5.560 ( -1.881 0.000 0.000) 1.881 5.708 ( -13.477 0.000 0.000) 13.477 5.777 ( 13.635 0.000 0.000) 13.635 5.800 ( -6.669 0.000 0.000) 6.669 5.904 ( 1.062 0.000 0.000) 1.062 6.063 ( 3.663 0.000 0.000) 3.663 6.107 ( 0.512 0.000 0.000) 0.512 6.119 ( -3.686 0.000 0.000) 3.686 6.130 ( -6.563 0.000 0.000) 6.563 6.396 ( 5.907 0.000 0.000) 5.907 6.402 ( 7.562 0.000 0.000) 7.562 6.486 ( 2.960 0.000 0.000) 2.960 6.543 ( -1.283 0.000 0.000) 1.283 6.591 ( -2.453 0.000 0.000) 2.453 6.739 ( 3.909 0.000 0.000) 3.909 6.759 ( 6.993 0.000 0.000) 6.993 6.887 ( 5.378 0.000 0.000) 5.378 6.887 ( -3.905 0.000 0.000) 3.905 7.254 ( -18.704 0.000 0.000) 18.704 7.507 ( -11.898 0.000 0.000) 11.898 7.618 ( -0.105 0.000 0.000) 0.105 7.664 ( 0.346 0.000 0.000) 0.346 7.680 ( 6.291 0.000 0.000) 6.291 7.819 ( 0.020 0.000 0.000) 0.020 7.901 ( 11.480 0.000 0.000) 11.480 8.052 ( 3.142 0.000 0.000) 3.142 8.087 ( -4.959 0.000 0.000) 4.959 8.218 ( -2.428 0.000 0.000) 2.428 8.521 ( 3.903 0.000 0.000) 3.903 8.558 ( 4.835 0.000 0.000) 4.835 8.809 ( -2.136 0.000 0.000) 2.136 8.830 ( -2.729 0.000 0.000) 2.729 8.896 ( -1.232 0.000 0.000) 1.232 8.899 ( -0.388 0.000 0.000) 0.388 9.241 ( 1.429 0.000 0.000) 1.429 9.293 ( -1.138 0.000 0.000) 1.138 9.419 ( -2.028 0.000 0.000) 2.028 9.526 ( -8.263 0.000 0.000) 8.263 9.626 ( 3.165 0.000 0.000) 3.165 9.826 ( 6.977 0.000 0.000) 6.977 9.846 ( -2.062 0.000 0.000) 2.062 10.121 ( 1.648 0.000 0.000) 1.648 10.187 ( 0.352 0.000 0.000) 0.352 10.288 ( 4.486 0.000 0.000) 4.486 10.358 ( 2.474 0.000 0.000) 2.474 10.625 ( -11.987 0.000 0.000) 11.987 10.660 ( 2.267 0.000 0.000) 2.267 10.790 ( -4.362 0.000 0.000) 4.362 10.790 ( -1.508 0.000 0.000) 1.508 10.913 ( -0.395 0.000 0.000) 0.395 10.942 ( 5.535 0.000 0.000) 5.535 11.081 ( 6.795 0.000 0.000) 6.795 11.273 ( -1.102 0.000 0.000) 1.102 11.392 ( -3.888 0.000 0.000) 3.888 12.099 ( 5.221 0.000 0.000) 5.221 12.175 ( 1.326 0.000 0.000) 1.326 12.282 ( -0.635 0.000 0.000) 0.635 12.438 ( -5.122 0.000 0.000) 5.122 12.486 ( -11.422 0.000 0.000) 11.422 12.698 ( -12.221 0.000 0.000) 12.221 13.001 ( 8.774 0.000 0.000) 8.774 13.169 ( 10.512 0.000 0.000) 10.512 13.212 ( 7.396 0.000 0.000) 7.396 13.383 ( 0.213 0.000 0.000) 0.213 13.449 ( 2.524 0.000 0.000) 2.524 13.750 ( -6.508 0.000 0.000) 6.508 13.787 ( -0.984 0.000 0.000) 0.984 13.811 ( -1.864 0.000 0.000) 1.864 14.281 ( 1.578 0.000 0.000) 1.578 14.510 ( 9.700 0.000 0.000) 9.700 14.658 ( -5.282 0.000 0.000) 5.282 15.058 ( -5.537 0.000 0.000) 5.537 15.342 ( 3.248 0.000 0.000) 3.248 15.597 ( -2.812 0.000 0.000) 2.812 15.621 ( 2.356 0.000 0.000) 2.356 15.634 ( 2.316 0.000 0.000) 2.316 16.528 ( 2.013 0.000 0.000) 2.013 16.622 ( 0.150 0.000 0.000) 0.150 16.636 ( -0.172 0.000 0.000) 0.172 16.832 ( -4.808 0.000 0.000) 4.808 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 20.543 0.000 0.000) 20.543 1.151 ( 28.789 0.000 0.000) 28.789 1.160 ( 8.926 0.000 0.000) 8.926 1.646 ( -16.724 0.000 0.000) 16.724 1.671 ( 2.702 0.000 0.000) 2.702 1.824 ( -15.017 0.000 0.000) 15.017 1.844 ( 1.459 0.000 0.000) 1.459 1.913 ( -10.741 0.000 0.000) 10.741 2.028 ( 31.669 0.000 0.000) 31.669 2.469 ( 1.659 0.000 0.000) 1.659 2.476 ( -2.000 0.000 0.000) 2.000 2.501 ( 3.857 0.000 0.000) 3.857 2.511 ( -5.570 0.000 0.000) 5.570 2.587 ( -3.771 0.000 0.000) 3.771 2.698 ( 5.442 0.000 0.000) 5.442 2.714 ( -7.531 0.000 0.000) 7.531 2.783 ( -23.190 0.000 0.000) 23.190 2.842 ( -7.499 0.000 0.000) 7.499 3.153 ( 4.464 0.000 0.000) 4.464 3.218 ( -1.710 0.000 0.000) 1.710 3.258 ( 1.961 0.000 0.000) 1.961 3.316 ( -2.562 0.000 0.000) 2.562 3.350 ( 4.005 0.000 0.000) 4.005 3.462 ( -6.125 0.000 0.000) 6.125 3.480 ( 19.483 0.000 0.000) 19.483 3.834 ( -10.258 0.000 0.000) 10.258 3.851 ( 0.967 0.000 0.000) 0.967 3.878 ( 0.628 0.000 0.000) 0.628 4.012 ( -2.992 0.000 0.000) 2.992 4.012 ( -1.737 0.000 0.000) 1.737 4.030 ( 8.788 0.000 0.000) 8.788 4.216 ( -5.955 0.000 0.000) 5.955 4.293 ( -2.015 0.000 0.000) 2.015 4.302 ( -1.603 0.000 0.000) 1.603 4.382 ( 4.524 0.000 0.000) 4.524 4.404 ( 3.014 0.000 0.000) 3.014 4.417 ( 19.809 0.000 0.000) 19.809 4.752 ( -12.469 0.000 0.000) 12.469 4.936 ( 2.322 0.000 0.000) 2.322 4.965 ( -1.830 0.000 0.000) 1.830 5.002 ( 5.266 0.000 0.000) 5.266 5.033 ( -4.551 0.000 0.000) 4.551 5.038 ( -3.079 0.000 0.000) 3.079 5.100 ( -3.674 0.000 0.000) 3.674 5.145 ( 0.592 0.000 0.000) 0.592 5.216 ( -5.413 0.000 0.000) 5.413 5.217 ( 1.042 0.000 0.000) 1.042 5.276 ( -3.529 0.000 0.000) 3.529 5.379 ( 8.395 0.000 0.000) 8.395 5.427 ( 10.101 0.000 0.000) 10.101 5.517 ( -4.522 0.000 0.000) 4.522 5.517 ( -2.176 0.000 0.000) 2.176 5.528 ( -2.885 0.000 0.000) 2.885 5.593 ( 11.488 0.000 0.000) 11.488 5.639 ( -9.357 0.000 0.000) 9.357 5.827 ( -9.670 0.000 0.000) 9.670 5.959 ( 4.499 0.000 0.000) 4.499 5.999 ( -0.656 0.000 0.000) 0.656 6.041 ( -3.831 0.000 0.000) 3.831 6.056 ( -4.740 0.000 0.000) 4.740 6.338 ( 19.354 0.000 0.000) 19.354 6.500 ( 2.254 0.000 0.000) 2.254 6.501 ( 3.955 0.000 0.000) 3.955 6.539 ( -0.232 0.000 0.000) 0.232 6.552 ( -1.029 0.000 0.000) 1.029 6.600 ( 4.052 0.000 0.000) 4.052 6.799 ( -4.508 0.000 0.000) 4.508 6.820 ( 3.613 0.000 0.000) 3.613 6.840 ( -14.725 0.000 0.000) 14.725 6.847 ( 1.473 0.000 0.000) 1.473 7.044 ( 5.768 0.000 0.000) 5.768 7.251 ( -13.344 0.000 0.000) 13.344 7.621 ( 0.669 0.000 0.000) 0.669 7.647 ( -1.741 0.000 0.000) 1.741 7.848 ( 10.026 0.000 0.000) 10.026 7.864 ( 4.648 0.000 0.000) 4.648 7.975 ( -6.158 0.000 0.000) 6.158 8.022 ( -6.518 0.000 0.000) 6.518 8.083 ( 6.958 0.000 0.000) 6.958 8.171 ( -2.516 0.000 0.000) 2.516 8.627 ( 6.356 0.000 0.000) 6.356 8.662 ( 5.436 0.000 0.000) 5.436 8.741 ( -4.897 0.000 0.000) 4.897 8.759 ( -4.391 0.000 0.000) 4.391 8.876 ( -0.446 0.000 0.000) 0.446 8.883 ( -0.947 0.000 0.000) 0.947 9.290 ( 2.479 0.000 0.000) 2.479 9.290 ( 2.560 0.000 0.000) 2.560 9.363 ( -3.598 0.000 0.000) 3.598 9.370 ( -6.634 0.000 0.000) 6.634 9.704 ( 4.506 0.000 0.000) 4.506 9.788 ( -3.830 0.000 0.000) 3.830 10.008 ( 11.342 0.000 0.000) 11.342 10.160 ( 2.004 0.000 0.000) 2.004 10.187 ( -0.588 0.000 0.000) 0.588 10.247 ( -12.224 0.000 0.000) 12.224 10.405 ( 6.645 0.000 0.000) 6.645 10.503 ( -2.955 0.000 0.000) 2.955 10.692 ( 0.518 0.000 0.000) 0.518 10.716 ( -2.602 0.000 0.000) 2.602 10.794 ( 2.686 0.000 0.000) 2.686 10.865 ( -3.683 0.000 0.000) 3.683 11.099 ( 9.364 0.000 0.000) 9.364 11.172 ( 3.367 0.000 0.000) 3.367 11.234 ( -2.840 0.000 0.000) 2.840 11.274 ( -7.986 0.000 0.000) 7.986 12.213 ( 2.355 0.000 0.000) 2.355 12.242 ( 8.381 0.000 0.000) 8.381 12.259 ( -0.991 0.000 0.000) 0.991 12.340 ( -3.137 0.000 0.000) 3.137 12.349 ( -3.255 0.000 0.000) 3.255 12.454 ( -12.105 0.000 0.000) 12.105 13.180 ( 8.353 0.000 0.000) 8.353 13.276 ( -0.259 0.000 0.000) 0.259 13.335 ( 4.792 0.000 0.000) 4.792 13.387 ( -0.635 0.000 0.000) 0.635 13.511 ( 4.135 0.000 0.000) 4.135 13.616 ( -6.528 0.000 0.000) 6.528 13.768 ( -0.641 0.000 0.000) 0.641 13.774 ( -1.372 0.000 0.000) 1.372 14.360 ( 6.724 0.000 0.000) 6.724 14.518 ( -8.506 0.000 0.000) 8.506 14.719 ( 10.865 0.000 0.000) 10.865 14.914 ( -8.922 0.000 0.000) 8.922 15.425 ( 4.942 0.000 0.000) 4.942 15.522 ( -4.690 0.000 0.000) 4.690 15.666 ( 1.728 0.000 0.000) 1.728 15.673 ( 1.116 0.000 0.000) 1.116 16.595 ( 4.925 0.000 0.000) 4.925 16.626 ( 0.251 0.000 0.000) 0.251 16.631 ( -0.265 0.000 0.000) 0.265 16.713 ( -6.743 0.000 0.000) 6.743 ======================= Grid point 5 (4/48) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.000 28.855 0.000) 28.855 0.600 ( 0.000 30.040 0.000) 30.040 0.824 ( 0.000 10.548 0.000) 10.548 1.012 ( 0.000 48.032 0.000) 48.032 1.740 ( 0.000 -7.429 0.000) 7.429 1.759 ( 0.000 3.612 0.000) 3.612 1.834 ( 0.000 4.155 0.000) 4.155 2.201 ( 0.000 0.471 0.000) 0.471 2.261 ( 0.000 -6.350 0.000) 6.350 2.492 ( 0.000 -8.908 0.000) 8.908 2.502 ( 0.000 3.550 0.000) 3.550 2.519 ( 0.000 0.185 0.000) 0.185 2.744 ( 0.000 -4.806 0.000) 4.806 2.774 ( 0.000 -3.035 0.000) 3.035 2.776 ( 0.000 -0.910 0.000) 0.910 2.915 ( 0.000 -2.801 0.000) 2.801 2.964 ( 0.000 -7.406 0.000) 7.406 3.051 ( 0.000 7.273 0.000) 7.273 3.057 ( 0.000 3.054 0.000) 3.054 3.061 ( 0.000 3.328 0.000) 3.328 3.079 ( 0.000 8.348 0.000) 8.348 3.373 ( 0.000 0.580 0.000) 0.580 3.437 ( 0.000 -5.764 0.000) 5.764 3.477 ( 0.000 3.578 0.000) 3.578 3.510 ( 0.000 8.441 0.000) 8.441 3.651 ( 0.000 -2.649 0.000) 2.649 3.722 ( 0.000 -17.903 0.000) 17.903 3.763 ( 0.000 10.385 0.000) 10.385 3.817 ( 0.000 -2.487 0.000) 2.487 3.989 ( 0.000 0.457 0.000) 0.457 4.005 ( 0.000 -2.978 0.000) 2.978 4.055 ( 0.000 0.668 0.000) 0.668 4.190 ( 0.000 -0.397 0.000) 0.397 4.382 ( 0.000 3.939 0.000) 3.939 4.386 ( 0.000 -0.352 0.000) 0.352 4.454 ( 0.000 6.671 0.000) 6.671 4.807 ( 0.000 -4.229 0.000) 4.229 4.830 ( 0.000 9.002 0.000) 9.002 4.866 ( 0.000 0.691 0.000) 0.691 4.914 ( 0.000 -2.982 0.000) 2.982 5.027 ( 0.000 -5.925 0.000) 5.925 5.032 ( 0.000 2.818 0.000) 2.818 5.120 ( 0.000 -2.295 0.000) 2.295 5.145 ( 0.000 1.180 0.000) 1.180 5.211 ( 0.000 -1.310 0.000) 1.310 5.229 ( 0.000 0.410 0.000) 0.410 5.261 ( 0.000 3.215 0.000) 3.215 5.326 ( 0.000 4.342 0.000) 4.342 5.330 ( 0.000 -1.482 0.000) 1.482 5.340 ( 0.000 -4.229 0.000) 4.229 5.395 ( 0.000 -2.750 0.000) 2.750 5.434 ( 0.000 0.258 0.000) 0.258 5.546 ( 0.000 1.802 0.000) 1.802 5.616 ( 0.000 4.182 0.000) 4.182 5.633 ( 0.000 4.799 0.000) 4.799 5.890 ( 0.000 1.878 0.000) 1.878 5.890 ( 0.000 -0.724 0.000) 0.724 6.103 ( 0.000 5.596 0.000) 5.596 6.117 ( 0.000 4.956 0.000) 4.956 6.170 ( 0.000 0.219 0.000) 0.219 6.275 ( 0.000 13.845 0.000) 13.845 6.304 ( 0.000 -1.858 0.000) 1.858 6.360 ( 0.000 -10.746 0.000) 10.746 6.403 ( 0.000 8.546 0.000) 8.546 6.528 ( 0.000 6.302 0.000) 6.302 6.611 ( 0.000 -3.842 0.000) 3.842 6.663 ( 0.000 -3.105 0.000) 3.105 6.741 ( 0.000 5.537 0.000) 5.537 6.769 ( 0.000 -4.585 0.000) 4.585 7.246 ( 0.000 -0.825 0.000) 0.825 7.406 ( 0.000 -11.224 0.000) 11.224 7.451 ( 0.000 1.675 0.000) 1.675 7.553 ( 0.000 -4.645 0.000) 4.645 7.628 ( 0.000 -1.836 0.000) 1.836 7.646 ( 0.000 0.401 0.000) 0.401 7.772 ( 0.000 7.499 0.000) 7.499 7.794 ( 0.000 -3.015 0.000) 3.015 8.011 ( 0.000 0.991 0.000) 0.991 8.149 ( 0.000 0.112 0.000) 0.112 8.246 ( 0.000 0.768 0.000) 0.768 8.469 ( 0.000 -1.503 0.000) 1.503 8.642 ( 0.000 13.252 0.000) 13.252 8.723 ( 0.000 -14.435 0.000) 14.435 8.860 ( 0.000 -4.521 0.000) 4.521 8.872 ( 0.000 -1.979 0.000) 1.979 8.883 ( 0.000 -2.208 0.000) 2.208 9.208 ( 0.000 -9.634 0.000) 9.634 9.236 ( 0.000 -5.790 0.000) 5.790 9.277 ( 0.000 12.752 0.000) 12.752 9.783 ( 0.000 2.144 0.000) 2.144 9.813 ( 0.000 1.740 0.000) 1.740 9.822 ( 0.000 7.537 0.000) 7.537 9.836 ( 0.000 -3.060 0.000) 3.060 10.154 ( 0.000 6.675 0.000) 6.675 10.203 ( 0.000 2.009 0.000) 2.009 10.234 ( 0.000 0.203 0.000) 0.203 10.358 ( 0.000 -10.617 0.000) 10.617 10.453 ( 0.000 7.615 0.000) 7.615 10.732 ( 0.000 -0.220 0.000) 0.220 10.808 ( 0.000 0.813 0.000) 0.813 10.812 ( 0.000 -2.019 0.000) 2.019 10.883 ( 0.000 -3.599 0.000) 3.599 11.045 ( 0.000 10.460 0.000) 10.460 11.119 ( 0.000 17.186 0.000) 17.186 11.311 ( 0.000 -11.671 0.000) 11.671 11.703 ( 0.000 1.269 0.000) 1.269 12.037 ( 0.000 -0.871 0.000) 0.871 12.119 ( 0.000 -3.872 0.000) 3.872 12.267 ( 0.000 -2.023 0.000) 2.023 12.667 ( 0.000 -3.063 0.000) 3.063 12.764 ( 0.000 -11.769 0.000) 11.769 12.889 ( 0.000 -10.778 0.000) 10.778 12.932 ( 0.000 8.611 0.000) 8.611 13.092 ( 0.000 0.417 0.000) 0.417 13.122 ( 0.000 -0.294 0.000) 0.294 13.225 ( 0.000 -0.308 0.000) 0.308 13.388 ( 0.000 0.091 0.000) 0.091 13.513 ( 0.000 7.362 0.000) 7.362 13.720 ( 0.000 -9.405 0.000) 9.405 13.811 ( 0.000 -1.552 0.000) 1.552 14.011 ( 0.000 -17.397 0.000) 17.397 14.198 ( 0.000 -13.332 0.000) 13.332 14.369 ( 0.000 8.525 0.000) 8.525 14.990 ( 0.000 -10.149 0.000) 10.149 15.390 ( 0.000 -17.595 0.000) 17.595 15.447 ( 0.000 8.444 0.000) 8.444 15.457 ( 0.000 7.616 0.000) 7.616 15.881 ( 0.000 19.293 0.000) 19.293 16.245 ( 0.000 1.010 0.000) 1.010 16.536 ( 0.000 3.511 0.000) 3.511 16.761 ( 0.000 9.808 0.000) 9.808 17.517 ( 0.000 -3.614 0.000) 3.614 ======================= Grid point 6 (5/48) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 16.172 21.100 0.000) 26.585 0.856 ( 20.351 21.143 0.000) 29.346 0.977 ( 13.829 9.812 0.000) 16.956 1.360 ( 31.287 28.890 0.000) 42.585 1.766 ( -0.020 3.105 0.000) 3.105 1.787 ( -0.555 -5.246 0.000) 5.275 1.897 ( 4.569 0.043 0.000) 4.569 2.104 ( -8.064 1.244 0.000) 8.159 2.279 ( -15.614 -3.900 0.000) 16.094 2.325 ( 1.967 -4.372 0.000) 4.794 2.496 ( -2.766 4.087 0.000) 4.935 2.526 ( -0.852 -2.904 0.000) 3.026 2.581 ( -6.641 -1.357 0.000) 6.778 2.704 ( -3.350 0.240 0.000) 3.359 2.776 ( -11.155 1.980 0.000) 11.329 2.783 ( -4.399 -4.332 0.000) 6.174 2.987 ( -4.292 -3.074 0.000) 5.280 2.997 ( -5.493 0.737 0.000) 5.542 3.056 ( 7.627 -2.839 0.000) 8.138 3.129 ( 5.189 5.374 0.000) 7.470 3.199 ( 11.915 1.180 0.000) 11.974 3.341 ( -3.100 -0.049 0.000) 3.100 3.418 ( -5.864 8.873 0.000) 10.636 3.470 ( -0.993 -6.708 0.000) 6.782 3.480 ( -3.488 6.329 0.000) 7.227 3.719 ( 6.999 -4.347 0.000) 8.239 3.745 ( 1.675 -13.109 0.000) 13.215 3.812 ( 3.670 -1.587 0.000) 3.999 3.893 ( -0.463 4.919 0.000) 4.941 4.042 ( 5.497 -2.194 0.000) 5.919 4.074 ( 5.914 -1.300 0.000) 6.055 4.120 ( 12.346 2.257 0.000) 12.550 4.180 ( 0.289 -2.298 0.000) 2.316 4.269 ( -8.692 1.160 0.000) 8.769 4.393 ( -1.656 4.078 0.000) 4.402 4.455 ( -1.482 5.208 0.000) 5.415 4.614 ( -10.283 11.831 0.000) 15.675 4.843 ( -1.068 -2.597 0.000) 2.808 4.908 ( 2.860 0.305 0.000) 2.876 4.923 ( 1.367 -3.999 0.000) 4.226 4.995 ( -1.290 4.576 0.000) 4.754 5.013 ( -0.945 -3.380 0.000) 3.510 5.092 ( -1.372 -1.198 0.000) 1.821 5.115 ( 0.280 -0.829 0.000) 0.875 5.205 ( -1.379 -0.122 0.000) 1.385 5.245 ( -0.350 -3.915 0.000) 3.931 5.250 ( -0.078 2.978 0.000) 2.979 5.309 ( 5.102 -1.658 0.000) 5.364 5.325 ( -4.388 1.616 0.000) 4.676 5.338 ( -2.345 2.328 0.000) 3.304 5.434 ( 3.942 1.037 0.000) 4.076 5.521 ( -2.461 1.535 0.000) 2.900 5.634 ( 0.008 6.266 0.000) 6.266 5.688 ( 4.205 -3.244 0.000) 5.311 5.844 ( 18.097 -10.722 0.000) 21.035 5.855 ( -3.509 3.355 0.000) 4.855 5.901 ( 1.768 0.785 0.000) 1.935 5.961 ( -4.080 13.448 0.000) 14.053 6.116 ( -4.591 -0.991 0.000) 4.697 6.136 ( -2.244 2.281 0.000) 3.200 6.193 ( -4.632 5.926 0.000) 7.522 6.384 ( 5.749 -0.924 0.000) 5.822 6.402 ( 3.246 -5.380 0.000) 6.284 6.456 ( 4.978 5.944 0.000) 7.753 6.518 ( 1.146 2.855 0.000) 3.076 6.586 ( -3.544 -3.764 0.000) 5.170 6.734 ( 5.387 -0.186 0.000) 5.390 6.807 ( 5.338 5.558 0.000) 7.706 6.836 ( 5.370 -4.808 0.000) 7.207 7.054 ( -10.947 7.890 0.000) 13.494 7.193 ( -15.033 -5.972 0.000) 16.176 7.435 ( -6.605 -4.375 0.000) 7.922 7.600 ( 0.467 0.590 0.000) 0.753 7.616 ( -0.677 -2.250 0.000) 2.350 7.720 ( 7.011 -2.785 0.000) 7.544 7.794 ( 1.099 -1.823 0.000) 2.129 7.840 ( 5.651 0.504 0.000) 5.673 8.043 ( 1.922 -1.270 0.000) 2.303 8.114 ( -2.996 0.834 0.000) 3.110 8.199 ( -3.558 -0.197 0.000) 3.564 8.501 ( 3.020 -1.941 0.000) 3.591 8.679 ( 3.085 10.595 0.000) 11.035 8.721 ( -0.075 -13.889 0.000) 13.890 8.789 ( -0.837 -2.800 0.000) 2.922 8.839 ( -1.812 -2.469 0.000) 3.063 9.037 ( 1.911 5.037 0.000) 5.387 9.129 ( -5.419 -9.344 0.000) 10.801 9.207 ( -2.847 -5.359 0.000) 6.068 9.301 ( 4.333 5.836 0.000) 7.269 9.742 ( -0.623 8.287 0.000) 8.310 9.742 ( -6.176 5.046 0.000) 7.975 9.853 ( -0.320 3.501 0.000) 3.516 9.864 ( 5.613 1.277 0.000) 5.756 10.119 ( -1.561 1.559 0.000) 2.206 10.169 ( -0.846 -1.238 0.000) 1.499 10.346 ( 7.137 4.628 0.000) 8.506 10.350 ( -2.288 -10.490 0.000) 10.736 10.517 ( 4.692 8.291 0.000) 9.527 10.769 ( -4.078 -2.355 0.000) 4.709 10.770 ( -3.776 2.252 0.000) 4.396 10.835 ( 6.594 -6.204 0.000) 9.053 10.889 ( 1.200 -2.158 0.000) 2.470 10.893 ( -7.412 10.990 0.000) 13.256 11.185 ( 0.262 1.187 0.000) 1.216 11.329 ( 1.148 0.157 0.000) 1.159 11.453 ( -12.210 9.753 0.000) 15.628 12.083 ( 4.547 -1.517 0.000) 4.794 12.138 ( 1.929 -3.023 0.000) 3.585 12.263 ( -0.484 -1.894 0.000) 1.955 12.561 ( -8.445 5.427 0.000) 10.039 12.627 ( -12.449 -6.862 0.000) 14.215 12.647 ( -11.806 13.730 0.000) 18.108 12.923 ( 9.056 -8.190 0.000) 12.210 13.120 ( 5.866 -8.355 0.000) 10.208 13.226 ( 10.241 5.583 0.000) 11.664 13.351 ( -0.691 -4.157 0.000) 4.214 13.507 ( 2.248 5.528 0.000) 5.968 13.636 ( 3.990 -10.919 0.000) 11.625 13.667 ( -5.007 -10.743 0.000) 11.852 13.765 ( -2.877 -0.125 0.000) 2.880 14.244 ( 3.305 -8.713 0.000) 9.319 14.325 ( 15.068 -26.652 0.000) 30.616 14.448 ( 7.888 3.209 0.000) 8.516 14.949 ( -4.591 -8.180 0.000) 9.381 15.362 ( -0.741 -8.910 0.000) 8.941 15.421 ( -2.055 3.061 0.000) 3.687 15.553 ( 8.497 1.139 0.000) 8.573 16.004 ( 6.381 19.672 0.000) 20.681 16.204 ( -1.806 -10.453 0.000) 10.608 16.502 ( -3.328 2.081 0.000) 3.925 16.796 ( 3.360 10.470 0.000) 10.996 17.281 ( -15.286 10.717 0.000) 18.669 ======================= Grid point 7 (6/48) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 15.964 10.875 0.000) 19.316 1.229 ( 9.992 7.975 0.000) 12.785 1.294 ( 20.850 12.041 0.000) 24.077 1.671 ( -13.367 3.203 0.000) 13.745 1.719 ( -2.070 2.807 0.000) 3.488 1.884 ( 7.517 5.448 0.000) 9.283 1.884 ( -15.741 5.267 0.000) 16.599 1.970 ( -7.480 5.133 0.000) 9.072 2.076 ( 23.828 2.449 0.000) 23.954 2.388 ( -3.294 -5.439 0.000) 6.358 2.451 ( 0.755 1.154 0.000) 1.379 2.467 ( 0.390 -6.535 0.000) 6.547 2.562 ( -5.671 -0.417 0.000) 5.686 2.574 ( 4.866 4.964 0.000) 6.951 2.651 ( -8.103 -5.401 0.000) 9.738 2.751 ( 4.278 3.286 0.000) 5.394 2.824 ( -14.363 0.713 0.000) 14.380 2.864 ( -6.693 -0.010 0.000) 6.693 3.194 ( 2.992 -0.129 0.000) 2.994 3.198 ( 0.995 5.278 0.000) 5.371 3.294 ( 1.514 -4.108 0.000) 4.379 3.320 ( -1.136 7.348 0.000) 7.436 3.391 ( -2.609 5.473 0.000) 6.063 3.407 ( -4.379 -5.502 0.000) 7.032 3.516 ( 17.272 2.161 0.000) 17.407 3.770 ( 0.767 -8.523 0.000) 8.557 3.786 ( -1.923 -5.147 0.000) 5.495 3.842 ( -10.638 -0.315 0.000) 10.643 3.882 ( 8.213 -5.589 0.000) 9.934 4.015 ( -7.219 -0.113 0.000) 7.220 4.170 ( 2.317 6.435 0.000) 6.839 4.192 ( 0.039 -1.268 0.000) 1.268 4.228 ( 5.039 -7.634 0.000) 9.147 4.322 ( -3.338 -0.659 0.000) 3.403 4.383 ( 6.935 2.786 0.000) 7.473 4.470 ( -4.607 7.051 0.000) 8.423 4.498 ( 11.019 5.504 0.000) 12.317 4.733 ( -9.379 -1.082 0.000) 9.441 4.953 ( 1.396 -2.119 0.000) 2.538 4.963 ( 1.466 1.144 0.000) 1.859 4.996 ( -0.820 0.334 0.000) 0.885 5.022 ( -4.176 2.404 0.000) 4.818 5.040 ( 4.230 1.188 0.000) 4.393 5.120 ( -3.861 -0.391 0.000) 3.881 5.152 ( 1.731 1.758 0.000) 2.467 5.228 ( -4.139 -1.711 0.000) 4.479 5.245 ( -0.145 3.281 0.000) 3.284 5.259 ( -2.317 2.330 0.000) 3.286 5.335 ( 4.330 -1.726 0.000) 4.662 5.393 ( -0.194 -2.909 0.000) 2.915 5.497 ( 2.177 3.064 0.000) 3.758 5.511 ( 1.908 -0.160 0.000) 1.914 5.679 ( 6.385 6.799 0.000) 9.327 5.695 ( -0.468 5.678 0.000) 5.697 5.760 ( -5.025 7.336 0.000) 8.892 5.864 ( -7.336 3.469 0.000) 8.115 5.942 ( -0.886 -3.832 0.000) 3.933 5.970 ( 3.640 0.637 0.000) 3.695 6.019 ( -3.413 -1.057 0.000) 3.573 6.098 ( -5.496 4.755 0.000) 7.267 6.338 ( 18.293 1.459 0.000) 18.351 6.463 ( 2.283 -2.353 0.000) 3.279 6.492 ( 5.131 -3.591 0.000) 6.263 6.512 ( -3.076 -3.468 0.000) 4.635 6.540 ( 1.376 1.869 0.000) 2.321 6.575 ( 1.509 -0.006 0.000) 1.509 6.760 ( -6.586 -3.936 0.000) 7.672 6.801 ( -6.592 0.856 0.000) 6.647 6.921 ( 2.214 5.129 0.000) 5.586 6.951 ( -0.335 8.350 0.000) 8.357 7.022 ( 5.560 -1.628 0.000) 5.794 7.232 ( -12.457 -1.382 0.000) 12.533 7.599 ( -0.158 -1.022 0.000) 1.034 7.603 ( -0.611 -3.236 0.000) 3.294 7.840 ( 3.284 -2.822 0.000) 4.330 7.862 ( 4.732 -5.203 0.000) 7.033 7.929 ( 4.040 1.901 0.000) 4.465 8.038 ( -3.590 0.345 0.000) 3.607 8.074 ( 0.197 -1.383 0.000) 1.397 8.118 ( -3.935 -2.751 0.000) 4.801 8.590 ( 5.777 -3.297 0.000) 6.651 8.692 ( -3.406 -1.909 0.000) 3.904 8.730 ( 1.223 -11.498 0.000) 11.563 8.767 ( -2.061 -6.768 0.000) 7.075 8.848 ( 4.217 9.527 0.000) 10.418 8.963 ( -6.495 11.301 0.000) 13.034 9.082 ( 1.017 -7.299 0.000) 7.369 9.138 ( -3.803 -5.204 0.000) 6.445 9.441 ( 8.267 2.793 0.000) 8.727 9.600 ( -7.981 5.366 0.000) 9.618 9.769 ( 2.580 8.231 0.000) 8.626 9.822 ( -2.517 6.386 0.000) 6.864 10.022 ( 10.038 0.092 0.000) 10.038 10.121 ( 1.177 -2.914 0.000) 3.143 10.153 ( -1.027 -2.922 0.000) 3.097 10.231 ( -9.477 -3.616 0.000) 10.143 10.496 ( 7.497 8.264 0.000) 11.158 10.573 ( 0.363 5.902 0.000) 5.913 10.689 ( -2.962 -2.451 0.000) 3.845 10.692 ( -3.216 2.475 0.000) 4.058 10.824 ( -0.311 3.251 0.000) 3.265 10.850 ( -2.047 -1.804 0.000) 2.728 11.008 ( 7.918 -7.581 0.000) 10.962 11.136 ( -4.721 -8.197 0.000) 9.459 11.321 ( -1.320 8.158 0.000) 8.264 11.326 ( -2.497 8.239 0.000) 8.609 12.188 ( 2.972 -1.594 0.000) 3.373 12.206 ( 7.274 -3.402 0.000) 8.030 12.243 ( -0.934 -1.280 0.000) 1.585 12.396 ( -10.299 -4.574 0.000) 11.269 12.458 ( -2.215 8.732 0.000) 9.008 12.491 ( -4.939 11.913 0.000) 12.897 13.123 ( 9.847 -7.958 0.000) 12.660 13.214 ( 2.792 -10.412 0.000) 10.780 13.309 ( -1.689 -0.541 0.000) 1.774 13.322 ( -2.279 -6.646 0.000) 7.026 13.549 ( 2.076 4.058 0.000) 4.558 13.587 ( -2.318 -3.106 0.000) 3.875 13.675 ( 1.667 -6.282 0.000) 6.499 13.715 ( -2.355 -2.167 0.000) 3.200 14.327 ( 5.448 -6.588 0.000) 8.548 14.420 ( -2.320 -13.090 0.000) 13.294 14.632 ( 9.949 -2.661 0.000) 10.298 14.815 ( -8.614 -5.122 0.000) 10.022 15.367 ( 1.008 -6.584 0.000) 6.660 15.391 ( -1.277 -3.602 0.000) 3.822 15.747 ( 10.864 3.897 0.000) 11.541 15.949 ( -8.970 12.875 0.000) 15.691 16.285 ( 7.222 -9.634 0.000) 12.040 16.413 ( -5.647 -1.944 0.000) 5.972 16.888 ( 6.196 11.700 0.000) 13.239 17.041 ( -9.704 12.752 0.000) 16.025 ======================= Grid point 10 (7/48) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 12.375 0.000) 12.375 1.079 ( 0.000 19.466 0.000) 19.466 1.156 ( 0.000 26.456 0.000) 26.456 1.661 ( 0.000 2.109 0.000) 2.109 1.769 ( 0.000 22.124 0.000) 22.124 1.823 ( 0.000 2.709 0.000) 2.709 1.984 ( 0.000 15.749 0.000) 15.749 2.134 ( 0.000 -6.342 0.000) 6.342 2.208 ( 0.000 -0.035 0.000) 0.035 2.321 ( 0.000 -8.047 0.000) 8.047 2.460 ( 0.000 -6.390 0.000) 6.390 2.500 ( 0.000 -2.720 0.000) 2.720 2.665 ( 0.000 -2.462 0.000) 2.462 2.737 ( 0.000 -0.087 0.000) 0.087 2.802 ( 0.000 -8.791 0.000) 8.791 2.832 ( 0.000 -5.524 0.000) 5.524 2.855 ( 0.000 7.273 0.000) 7.273 3.026 ( 0.000 -7.737 0.000) 7.737 3.138 ( 0.000 3.319 0.000) 3.319 3.200 ( 0.000 3.464 0.000) 3.464 3.208 ( 0.000 7.279 0.000) 7.279 3.342 ( 0.000 -2.720 0.000) 2.720 3.350 ( 0.000 -1.922 0.000) 1.922 3.445 ( 0.000 -6.638 0.000) 6.638 3.550 ( 0.000 3.779 0.000) 3.779 3.564 ( 0.000 -3.937 0.000) 3.937 3.716 ( 0.000 8.436 0.000) 8.436 3.771 ( 0.000 -2.214 0.000) 2.214 3.864 ( 0.000 -8.111 0.000) 8.111 3.928 ( 0.000 5.311 0.000) 5.311 3.997 ( 0.000 0.813 0.000) 0.813 4.082 ( 0.000 2.104 0.000) 2.104 4.280 ( 0.000 6.389 0.000) 6.389 4.374 ( 0.000 -0.716 0.000) 0.716 4.441 ( 0.000 -0.519 0.000) 0.519 4.612 ( 0.000 8.510 0.000) 8.510 4.644 ( 0.000 -12.125 0.000) 12.125 4.856 ( 0.000 -3.030 0.000) 3.030 4.903 ( 0.000 3.645 0.000) 3.645 4.939 ( 0.000 3.968 0.000) 3.968 4.956 ( 0.000 -0.496 0.000) 0.496 5.096 ( 0.000 -3.974 0.000) 3.974 5.097 ( 0.000 3.022 0.000) 3.022 5.137 ( 0.000 6.383 0.000) 6.383 5.186 ( 0.000 -1.184 0.000) 1.184 5.215 ( 0.000 -3.163 0.000) 3.163 5.305 ( 0.000 1.356 0.000) 1.356 5.312 ( 0.000 -5.392 0.000) 5.392 5.315 ( 0.000 3.341 0.000) 3.341 5.420 ( 0.000 4.874 0.000) 4.874 5.446 ( 0.000 6.980 0.000) 6.980 5.458 ( 0.000 2.612 0.000) 2.612 5.599 ( 0.000 6.486 0.000) 6.486 5.675 ( 0.000 1.715 0.000) 1.715 5.745 ( 0.000 5.573 0.000) 5.573 5.866 ( 0.000 -0.733 0.000) 0.733 5.915 ( 0.000 -2.310 0.000) 2.310 6.060 ( 0.000 -12.913 0.000) 12.913 6.150 ( 0.000 3.007 0.000) 3.007 6.184 ( 0.000 2.611 0.000) 2.611 6.263 ( 0.000 2.040 0.000) 2.040 6.273 ( 0.000 -0.510 0.000) 0.510 6.479 ( 0.000 -9.740 0.000) 9.740 6.582 ( 0.000 -6.069 0.000) 6.069 6.607 ( 0.000 10.720 0.000) 10.720 6.643 ( 0.000 -6.266 0.000) 6.266 6.728 ( 0.000 15.096 0.000) 15.096 6.765 ( 0.000 30.910 0.000) 30.910 6.845 ( 0.000 5.579 0.000) 5.579 7.178 ( 0.000 -11.667 0.000) 11.667 7.211 ( 0.000 -2.813 0.000) 2.813 7.349 ( 0.000 -12.551 0.000) 12.551 7.507 ( 0.000 3.685 0.000) 3.685 7.593 ( 0.000 -1.300 0.000) 1.300 7.727 ( 0.000 -3.256 0.000) 3.256 7.782 ( 0.000 9.960 0.000) 9.960 7.904 ( 0.000 6.129 0.000) 6.129 8.001 ( 0.000 -2.142 0.000) 2.142 8.134 ( 0.000 -1.887 0.000) 1.887 8.291 ( 0.000 -25.709 0.000) 25.709 8.296 ( 0.000 4.588 0.000) 4.588 8.396 ( 0.000 -6.990 0.000) 6.990 8.666 ( 0.000 -10.941 0.000) 10.941 8.802 ( 0.000 -7.533 0.000) 7.533 8.842 ( 0.000 -0.973 0.000) 0.973 8.983 ( 0.000 -10.617 0.000) 10.617 9.056 ( 0.000 23.440 0.000) 23.440 9.266 ( 0.000 5.672 0.000) 5.672 9.546 ( 0.000 11.901 0.000) 11.901 9.754 ( 0.000 -4.701 0.000) 4.701 9.805 ( 0.000 -0.285 0.000) 0.285 9.876 ( 0.000 0.285 0.000) 0.285 9.920 ( 0.000 11.312 0.000) 11.312 10.142 ( 0.000 -7.871 0.000) 7.871 10.257 ( 0.000 3.512 0.000) 3.512 10.291 ( 0.000 5.675 0.000) 5.675 10.346 ( 0.000 10.786 0.000) 10.786 10.634 ( 0.000 -7.946 0.000) 7.946 10.654 ( 0.000 4.463 0.000) 4.463 10.782 ( 0.000 -6.533 0.000) 6.533 10.795 ( 0.000 -2.460 0.000) 2.460 10.925 ( 0.000 15.630 0.000) 15.630 10.960 ( 0.000 -22.075 0.000) 22.075 11.318 ( 0.000 14.420 0.000) 14.420 11.425 ( 0.000 13.672 0.000) 13.672 11.741 ( 0.000 2.765 0.000) 2.765 12.020 ( 0.000 -0.916 0.000) 0.916 12.028 ( 0.000 -5.439 0.000) 5.439 12.215 ( 0.000 -3.057 0.000) 3.057 12.466 ( 0.000 -18.058 0.000) 18.058 12.495 ( 0.000 -14.803 0.000) 14.803 12.614 ( 0.000 -16.123 0.000) 16.123 13.114 ( 0.000 -0.530 0.000) 0.530 13.119 ( 0.000 2.054 0.000) 2.054 13.175 ( 0.000 14.958 0.000) 14.958 13.178 ( 0.000 -3.774 0.000) 3.774 13.390 ( 0.000 0.103 0.000) 0.103 13.449 ( 0.000 -14.299 0.000) 14.299 13.513 ( 0.000 -6.685 0.000) 6.685 13.766 ( 0.000 -3.111 0.000) 3.111 13.935 ( 0.000 10.442 0.000) 10.442 14.059 ( 0.000 -1.361 0.000) 1.361 14.504 ( 0.000 0.966 0.000) 0.966 14.763 ( 0.000 -12.856 0.000) 12.856 15.069 ( 0.000 -9.983 0.000) 9.983 15.498 ( 0.000 -3.749 0.000) 3.749 15.614 ( 0.000 8.331 0.000) 8.331 16.043 ( 0.000 -2.818 0.000) 2.818 16.476 ( 0.000 21.207 0.000) 21.207 16.669 ( 0.000 9.607 0.000) 9.607 16.926 ( 0.000 5.823 0.000) 5.823 17.405 ( 0.000 -7.999 0.000) 7.999 ======================= Grid point 11 (8/48) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 12.561 12.372 0.000) 17.631 1.232 ( 7.243 23.163 0.000) 24.269 1.293 ( 16.936 18.675 0.000) 25.210 1.643 ( 2.095 1.573 0.000) 2.620 1.836 ( 0.470 3.855 0.000) 3.884 1.893 ( 7.663 9.758 0.000) 12.407 2.015 ( 2.538 13.515 0.000) 13.751 2.114 ( -2.352 -1.561 0.000) 2.823 2.198 ( -3.851 -2.079 0.000) 4.376 2.242 ( -2.918 -5.478 0.000) 6.207 2.465 ( -5.230 -2.211 0.000) 5.678 2.511 ( 0.539 -5.268 0.000) 5.295 2.606 ( -2.175 5.746 0.000) 6.144 2.645 ( -1.031 -6.661 0.000) 6.740 2.718 ( -7.750 -1.039 0.000) 7.819 2.771 ( -7.293 -1.697 0.000) 7.487 2.875 ( -1.564 -8.396 0.000) 8.541 3.001 ( -11.011 3.991 0.000) 11.712 3.084 ( -2.240 -0.636 0.000) 2.328 3.190 ( 11.079 -2.841 0.000) 11.437 3.254 ( 2.925 4.551 0.000) 5.410 3.333 ( 2.299 0.768 0.000) 2.424 3.341 ( -2.146 -3.202 0.000) 3.855 3.470 ( 0.333 -2.193 0.000) 2.218 3.572 ( -0.428 4.980 0.000) 4.998 3.629 ( 6.239 -4.877 0.000) 7.919 3.718 ( 0.044 7.341 0.000) 7.342 3.742 ( -1.750 -3.793 0.000) 4.178 3.913 ( 5.369 -8.957 0.000) 10.443 3.948 ( -3.787 -5.912 0.000) 7.021 4.044 ( 3.699 7.708 0.000) 8.550 4.179 ( 10.350 3.651 0.000) 10.975 4.268 ( -0.654 5.074 0.000) 5.116 4.296 ( -4.723 1.442 0.000) 4.938 4.428 ( -3.392 -1.762 0.000) 3.823 4.588 ( -2.138 8.001 0.000) 8.281 4.660 ( -0.690 -8.554 0.000) 8.582 4.842 ( 0.330 -3.669 0.000) 3.684 4.857 ( -4.116 5.304 0.000) 6.713 4.927 ( -0.346 2.404 0.000) 2.429 5.010 ( 3.664 0.991 0.000) 3.795 5.060 ( -3.863 2.705 0.000) 4.716 5.116 ( -0.879 -1.454 0.000) 1.699 5.146 ( 1.100 4.902 0.000) 5.024 5.179 ( 4.492 2.987 0.000) 5.394 5.224 ( -0.783 0.903 0.000) 1.195 5.273 ( -1.262 2.360 0.000) 2.676 5.286 ( 6.419 -0.252 0.000) 6.424 5.357 ( -0.364 -1.018 0.000) 1.081 5.386 ( -3.457 4.149 0.000) 5.401 5.471 ( 3.118 2.628 0.000) 4.078 5.555 ( -0.482 0.435 0.000) 0.649 5.632 ( 0.109 -2.858 0.000) 2.860 5.757 ( 12.445 2.878 0.000) 12.774 5.775 ( 1.117 7.068 0.000) 7.156 5.849 ( -1.250 -2.557 0.000) 2.846 5.924 ( 0.999 -2.064 0.000) 2.293 6.020 ( -3.306 -7.417 0.000) 8.120 6.093 ( -4.883 0.239 0.000) 4.889 6.141 ( -1.121 0.752 0.000) 1.350 6.289 ( 3.727 2.222 0.000) 4.339 6.380 ( 4.372 0.736 0.000) 4.434 6.465 ( -1.358 -7.998 0.000) 8.113 6.546 ( -0.120 -1.761 0.000) 1.765 6.595 ( 0.487 3.162 0.000) 3.199 6.618 ( -7.908 21.218 0.000) 22.644 6.741 ( 6.262 2.630 0.000) 6.792 6.821 ( 7.926 9.723 0.000) 12.545 6.954 ( 2.588 10.907 0.000) 11.210 7.046 ( -8.137 -8.268 0.000) 11.601 7.128 ( -5.209 1.135 0.000) 5.331 7.423 ( -7.240 3.001 0.000) 7.837 7.488 ( 9.350 -12.286 0.000) 15.440 7.585 ( -1.530 -1.289 0.000) 2.001 7.739 ( -4.346 7.606 0.000) 8.760 7.750 ( 1.299 -1.962 0.000) 2.353 7.928 ( 3.082 4.121 0.000) 5.146 7.983 ( -1.399 -4.794 0.000) 4.994 8.097 ( -3.458 -2.438 0.000) 4.231 8.236 ( -4.056 3.759 0.000) 5.530 8.311 ( 1.841 -22.978 0.000) 23.052 8.434 ( 3.119 -5.987 0.000) 6.751 8.652 ( -1.614 -9.860 0.000) 9.991 8.672 ( -7.656 -10.727 0.000) 13.179 8.967 ( 0.984 -4.785 0.000) 4.885 9.045 ( 10.702 -2.133 0.000) 10.913 9.083 ( 2.583 21.677 0.000) 21.830 9.238 ( -2.885 5.749 0.000) 6.432 9.506 ( -3.020 12.237 0.000) 12.604 9.713 ( -4.006 -3.516 0.000) 5.330 9.834 ( 2.967 -0.803 0.000) 3.073 9.910 ( 2.958 0.214 0.000) 2.965 9.963 ( 4.105 11.079 0.000) 11.815 10.122 ( -2.330 -5.947 0.000) 6.388 10.175 ( -3.680 3.107 0.000) 4.816 10.287 ( -4.398 9.164 0.000) 10.165 10.449 ( 10.851 5.846 0.000) 12.326 10.640 ( -2.118 -0.050 0.000) 2.119 10.664 ( 2.573 -9.207 0.000) 9.560 10.711 ( -4.937 -6.071 0.000) 7.825 10.844 ( 2.957 -3.098 0.000) 4.283 10.903 ( -3.652 -7.683 0.000) 8.507 10.949 ( -1.029 4.970 0.000) 5.075 11.155 ( -8.898 12.587 0.000) 15.414 11.510 ( 2.150 10.962 0.000) 11.171 11.614 ( -8.170 7.786 0.000) 11.285 12.049 ( 2.720 -1.888 0.000) 3.311 12.076 ( 4.312 -3.222 0.000) 5.383 12.216 ( 0.101 -2.677 0.000) 2.679 12.416 ( -7.746 -13.490 0.000) 15.556 12.593 ( -0.390 -7.708 0.000) 7.718 12.603 ( 10.558 -19.338 0.000) 22.033 12.889 ( -10.964 6.712 0.000) 12.856 12.972 ( -5.156 -2.667 0.000) 5.805 13.219 ( -2.161 -7.844 0.000) 8.136 13.316 ( -2.935 -4.169 0.000) 5.099 13.461 ( 8.587 0.551 0.000) 8.605 13.498 ( 6.289 -2.142 0.000) 6.643 13.607 ( 6.572 0.117 0.000) 6.573 13.766 ( -0.748 -0.108 0.000) 0.756 14.027 ( 8.394 -0.202 0.000) 8.397 14.103 ( 3.708 -3.452 0.000) 5.066 14.524 ( 2.159 -1.076 0.000) 2.413 14.744 ( -2.005 -12.448 0.000) 12.608 15.127 ( 5.508 -7.552 0.000) 9.348 15.547 ( 5.045 -5.013 0.000) 7.112 15.553 ( -5.845 8.150 0.000) 10.029 16.014 ( -3.654 -7.169 0.000) 8.046 16.465 ( -0.353 22.358 0.000) 22.361 16.638 ( -2.933 10.730 0.000) 11.124 16.956 ( 2.966 5.099 0.000) 5.899 17.319 ( -7.492 -4.191 0.000) 8.584 ======================= Grid point 12 (9/48) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 8.138 16.268 0.000) 18.190 1.436 ( 8.011 12.322 0.000) 14.697 1.577 ( 11.274 15.813 0.000) 19.420 1.771 ( 10.410 3.095 0.000) 10.860 1.779 ( -7.531 7.484 0.000) 10.618 2.000 ( -11.286 6.082 0.000) 12.820 2.010 ( 4.494 5.678 0.000) 7.241 2.074 ( -3.218 4.519 0.000) 5.547 2.087 ( 6.869 0.017 0.000) 6.869 2.278 ( -6.963 -8.994 0.000) 11.375 2.335 ( 4.138 -1.466 0.000) 4.390 2.467 ( 0.190 -2.265 0.000) 2.273 2.530 ( -10.483 -4.793 0.000) 11.527 2.563 ( -9.817 -0.436 0.000) 9.827 2.638 ( 0.173 -11.969 0.000) 11.970 2.662 ( -1.791 -2.550 0.000) 3.117 2.833 ( 3.523 1.819 0.000) 3.964 2.901 ( -2.255 4.905 0.000) 5.398 3.141 ( 5.302 -8.144 0.000) 9.718 3.235 ( -4.035 -10.150 0.000) 10.923 3.298 ( 2.444 4.631 0.000) 5.236 3.332 ( -0.150 7.351 0.000) 7.353 3.460 ( 3.124 1.397 0.000) 3.423 3.527 ( -3.647 8.849 0.000) 9.571 3.553 ( 12.979 3.425 0.000) 13.423 3.694 ( -2.182 -3.768 0.000) 4.354 3.696 ( -0.162 -0.196 0.000) 0.254 3.787 ( 8.945 -1.124 0.000) 9.016 3.792 ( -9.879 -4.202 0.000) 10.735 4.038 ( -12.494 4.125 0.000) 13.158 4.067 ( 9.547 -7.448 0.000) 12.108 4.181 ( 0.440 -0.007 0.000) 0.440 4.257 ( -0.925 1.874 0.000) 2.090 4.274 ( -5.257 -3.226 0.000) 6.168 4.446 ( 7.512 1.786 0.000) 7.722 4.579 ( -6.273 0.814 0.000) 6.326 4.613 ( 5.699 6.976 0.000) 9.008 4.750 ( -6.820 3.974 0.000) 7.893 4.879 ( 2.998 -4.132 0.000) 5.106 4.927 ( -0.953 -3.245 0.000) 3.382 5.049 ( 1.455 0.015 0.000) 1.455 5.058 ( 0.897 1.327 0.000) 1.601 5.104 ( 0.026 4.786 0.000) 4.786 5.146 ( -3.463 4.706 0.000) 5.843 5.206 ( 3.132 3.358 0.000) 4.592 5.250 ( 1.066 4.592 0.000) 4.714 5.305 ( 3.736 1.450 0.000) 4.007 5.340 ( 0.918 4.187 0.000) 4.286 5.369 ( -0.108 6.557 0.000) 6.558 5.376 ( -1.211 1.260 0.000) 1.747 5.520 ( 1.076 1.344 0.000) 1.722 5.531 ( -0.423 0.680 0.000) 0.801 5.665 ( 4.685 -5.944 0.000) 7.569 5.775 ( -3.630 -3.446 0.000) 5.005 5.823 ( 2.672 5.313 0.000) 5.947 5.867 ( 0.636 -3.565 0.000) 3.621 5.916 ( -2.884 -4.347 0.000) 5.216 5.948 ( -5.929 3.456 0.000) 6.863 6.070 ( 3.621 2.781 0.000) 4.565 6.136 ( -0.547 -1.624 0.000) 1.713 6.403 ( -0.117 -3.704 0.000) 3.706 6.415 ( 5.759 -3.860 0.000) 6.933 6.423 ( -0.277 -5.108 0.000) 5.115 6.541 ( -3.730 -2.898 0.000) 4.723 6.566 ( 4.467 18.788 0.000) 19.312 6.667 ( 7.282 4.750 0.000) 8.694 6.730 ( -7.799 6.966 0.000) 10.457 6.851 ( -9.466 4.243 0.000) 10.373 7.005 ( 8.591 1.576 0.000) 8.735 7.028 ( 8.216 5.811 0.000) 10.063 7.098 ( -1.498 6.216 0.000) 6.394 7.241 ( -11.047 3.730 0.000) 11.660 7.567 ( 0.932 0.144 0.000) 0.943 7.619 ( -1.608 2.581 0.000) 3.041 7.673 ( 3.666 -10.763 0.000) 11.371 7.752 ( -1.854 -5.467 0.000) 5.773 7.969 ( 0.604 -5.997 0.000) 6.027 8.017 ( -2.931 -1.388 0.000) 3.243 8.032 ( 5.829 2.594 0.000) 6.380 8.154 ( -4.992 4.862 0.000) 6.969 8.362 ( 3.881 -20.815 0.000) 21.173 8.487 ( -7.635 -14.313 0.000) 16.222 8.518 ( 3.033 -10.139 0.000) 10.583 8.600 ( -3.687 -7.783 0.000) 8.612 9.038 ( 5.558 1.888 0.000) 5.870 9.133 ( -0.600 9.849 0.000) 9.868 9.170 ( -1.225 12.194 0.000) 12.255 9.185 ( 2.078 6.953 0.000) 7.257 9.492 ( 3.184 6.652 0.000) 7.375 9.605 ( -6.666 -0.851 0.000) 6.720 9.907 ( 4.000 0.600 0.000) 4.045 9.958 ( 0.309 1.765 0.000) 1.791 10.071 ( -0.933 -2.259 0.000) 2.445 10.072 ( 6.450 5.957 0.000) 8.780 10.111 ( -2.796 2.489 0.000) 3.743 10.200 ( -5.241 5.388 0.000) 7.516 10.591 ( -1.557 -3.317 0.000) 3.665 10.613 ( -3.467 -4.420 0.000) 5.617 10.681 ( 11.504 7.495 0.000) 13.730 10.717 ( 2.961 -11.203 0.000) 11.587 10.792 ( -5.616 -12.442 0.000) 13.651 10.880 ( -7.248 13.401 0.000) 15.236 10.923 ( 5.310 -0.339 0.000) 5.321 11.030 ( -5.154 3.895 0.000) 6.461 11.504 ( -1.137 9.576 0.000) 9.643 11.512 ( -2.451 10.389 0.000) 10.674 12.121 ( 4.509 -5.089 0.000) 6.799 12.155 ( 2.657 -2.368 0.000) 3.559 12.214 ( -0.373 -1.532 0.000) 1.577 12.261 ( -6.736 -7.841 0.000) 10.337 12.623 ( 3.471 2.962 0.000) 4.564 12.722 ( -6.512 9.180 0.000) 11.255 12.796 ( 8.137 -22.488 0.000) 23.915 12.904 ( -3.276 -16.243 0.000) 16.570 13.174 ( -1.207 -7.336 0.000) 7.434 13.208 ( -4.845 -8.296 0.000) 9.608 13.604 ( 4.316 1.082 0.000) 4.450 13.614 ( 4.198 6.116 0.000) 7.418 13.685 ( 2.058 5.994 0.000) 6.337 13.730 ( -2.705 2.767 0.000) 3.869 14.164 ( 3.811 -8.144 0.000) 8.992 14.170 ( 2.398 -6.113 0.000) 6.567 14.591 ( 4.540 -5.751 0.000) 7.327 14.682 ( -4.292 -10.145 0.000) 11.015 15.260 ( 7.674 -1.408 0.000) 7.802 15.413 ( -7.865 4.942 0.000) 9.289 15.692 ( 9.515 -7.969 0.000) 12.411 15.885 ( -9.225 -9.919 0.000) 13.546 16.490 ( 3.015 19.361 0.000) 19.594 16.566 ( -4.209 14.021 0.000) 14.640 17.038 ( 5.381 3.333 0.000) 6.330 17.165 ( -7.569 0.529 0.000) 7.587 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.000 6.271 0.000) 6.271 1.283 ( 0.000 3.193 0.000) 3.193 1.609 ( 0.000 19.233 0.000) 19.233 1.837 ( 0.000 10.661 0.000) 10.661 1.850 ( 0.000 -3.028 0.000) 3.028 1.917 ( 0.000 1.201 0.000) 1.201 2.025 ( 0.000 -2.258 0.000) 2.258 2.115 ( 0.000 -8.214 0.000) 8.214 2.284 ( 0.000 4.058 0.000) 4.058 2.334 ( 0.000 12.845 0.000) 12.845 2.374 ( 0.000 0.833 0.000) 0.833 2.402 ( 0.000 -6.759 0.000) 6.759 2.607 ( 0.000 -10.183 0.000) 10.183 2.618 ( 0.000 -13.747 0.000) 13.747 2.662 ( 0.000 1.930 0.000) 1.930 2.727 ( 0.000 -4.580 0.000) 4.580 2.988 ( 0.000 6.649 0.000) 6.649 2.999 ( 0.000 5.566 0.000) 5.566 3.189 ( 0.000 2.364 0.000) 2.364 3.227 ( 0.000 0.283 0.000) 0.283 3.241 ( 0.000 -1.302 0.000) 1.302 3.271 ( 0.000 -4.770 0.000) 4.770 3.426 ( 0.000 1.843 0.000) 1.843 3.446 ( 0.000 8.684 0.000) 8.684 3.483 ( 0.000 -3.845 0.000) 3.845 3.581 ( 0.000 -3.286 0.000) 3.286 3.769 ( 0.000 4.476 0.000) 4.476 3.777 ( 0.000 0.083 0.000) 0.083 3.810 ( 0.000 0.153 0.000) 0.153 3.899 ( 0.000 -6.207 0.000) 6.207 4.073 ( 0.000 4.422 0.000) 4.422 4.115 ( 0.000 0.310 0.000) 0.310 4.349 ( 0.000 0.922 0.000) 0.922 4.363 ( 0.000 -0.135 0.000) 0.135 4.385 ( 0.000 -2.740 0.000) 2.740 4.416 ( 0.000 -8.354 0.000) 8.354 4.747 ( 0.000 4.432 0.000) 4.432 4.801 ( 0.000 -2.356 0.000) 2.356 4.987 ( 0.000 4.262 0.000) 4.262 5.011 ( 0.000 6.776 0.000) 6.776 5.018 ( 0.000 4.087 0.000) 4.087 5.104 ( 0.000 -2.334 0.000) 2.334 5.104 ( 0.000 3.550 0.000) 3.550 5.109 ( 0.000 -6.851 0.000) 6.851 5.167 ( 0.000 -0.855 0.000) 0.855 5.182 ( 0.000 -7.091 0.000) 7.091 5.329 ( 0.000 7.782 0.000) 7.782 5.372 ( 0.000 1.380 0.000) 1.380 5.394 ( 0.000 6.813 0.000) 6.813 5.508 ( 0.000 -1.125 0.000) 1.125 5.532 ( 0.000 8.850 0.000) 8.850 5.555 ( 0.000 7.253 0.000) 7.253 5.592 ( 0.000 0.844 0.000) 0.844 5.711 ( 0.000 -7.001 0.000) 7.001 5.764 ( 0.000 -11.598 0.000) 11.598 5.777 ( 0.000 -14.256 0.000) 14.256 5.918 ( 0.000 16.809 0.000) 16.809 5.996 ( 0.000 11.682 0.000) 11.682 6.196 ( 0.000 -5.573 0.000) 5.573 6.228 ( 0.000 -13.350 0.000) 13.350 6.228 ( 0.000 4.112 0.000) 4.112 6.288 ( 0.000 -2.497 0.000) 2.497 6.304 ( 0.000 3.651 0.000) 3.651 6.413 ( 0.000 -8.007 0.000) 8.007 6.645 ( 0.000 6.461 0.000) 6.461 6.768 ( 0.000 1.559 0.000) 1.559 6.950 ( 0.000 -0.095 0.000) 0.095 6.969 ( 0.000 6.943 0.000) 6.943 7.096 ( 0.000 -4.953 0.000) 4.953 7.106 ( 0.000 -11.842 0.000) 11.842 7.162 ( 0.000 21.809 0.000) 21.809 7.386 ( 0.000 24.262 0.000) 24.262 7.557 ( 0.000 0.225 0.000) 0.225 7.592 ( 0.000 2.129 0.000) 2.129 7.667 ( 0.000 -26.270 0.000) 26.270 7.686 ( 0.000 -1.717 0.000) 1.717 7.958 ( 0.000 0.032 0.000) 0.032 8.011 ( 0.000 4.779 0.000) 4.779 8.090 ( 0.000 -2.905 0.000) 2.905 8.111 ( 0.000 12.458 0.000) 12.458 8.154 ( 0.000 -17.087 0.000) 17.087 8.403 ( 0.000 -15.224 0.000) 15.224 8.417 ( 0.000 7.568 0.000) 7.568 8.593 ( 0.000 -10.781 0.000) 10.781 8.838 ( 0.000 0.626 0.000) 0.626 8.868 ( 0.000 -2.713 0.000) 2.713 9.388 ( 0.000 5.958 0.000) 5.958 9.435 ( 0.000 6.495 0.000) 6.495 9.697 ( 0.000 4.993 0.000) 4.993 9.763 ( 0.000 10.096 0.000) 10.096 9.773 ( 0.000 -2.868 0.000) 2.868 9.874 ( 0.000 -0.717 0.000) 0.717 10.084 ( 0.000 4.729 0.000) 4.729 10.248 ( 0.000 18.358 0.000) 18.358 10.349 ( 0.000 7.022 0.000) 7.022 10.416 ( 0.000 3.001 0.000) 3.001 10.457 ( 0.000 -26.945 0.000) 26.945 10.484 ( 0.000 -4.047 0.000) 4.047 10.530 ( 0.000 7.175 0.000) 7.175 10.638 ( 0.000 -7.818 0.000) 7.818 10.641 ( 0.000 -3.734 0.000) 3.734 10.651 ( 0.000 -12.081 0.000) 12.081 11.345 ( 0.000 23.382 0.000) 23.382 11.558 ( 0.000 6.436 0.000) 6.436 11.640 ( 0.000 8.232 0.000) 8.232 11.821 ( 0.000 5.910 0.000) 5.910 11.860 ( 0.000 -14.329 0.000) 14.329 11.966 ( 0.000 -6.574 0.000) 6.574 12.159 ( 0.000 -2.197 0.000) 2.197 12.177 ( 0.000 -7.145 0.000) 7.145 12.205 ( 0.000 -7.404 0.000) 7.404 12.307 ( 0.000 -13.710 0.000) 13.710 13.105 ( 0.000 -0.175 0.000) 0.175 13.118 ( 0.000 -1.803 0.000) 1.803 13.168 ( 0.000 3.007 0.000) 3.007 13.250 ( 0.000 -6.167 0.000) 6.167 13.395 ( 0.000 0.607 0.000) 0.607 13.422 ( 0.000 -2.521 0.000) 2.521 13.471 ( 0.000 13.818 0.000) 13.818 13.675 ( 0.000 -6.950 0.000) 6.950 14.111 ( 0.000 6.759 0.000) 6.759 14.205 ( 0.000 15.080 0.000) 15.080 14.327 ( 0.000 -14.165 0.000) 14.165 14.495 ( 0.000 -14.464 0.000) 14.464 15.112 ( 0.000 10.351 0.000) 10.351 15.339 ( 0.000 -11.213 0.000) 11.213 15.778 ( 0.000 8.312 0.000) 8.312 15.932 ( 0.000 -7.300 0.000) 7.300 16.859 ( 0.000 8.510 0.000) 8.510 16.882 ( 0.000 18.963 0.000) 18.963 16.966 ( 0.000 -1.930 0.000) 1.930 17.198 ( 0.000 -13.346 0.000) 13.346 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 12.886 7.468 0.000) 14.894 1.458 ( 15.765 0.336 0.000) 15.769 1.646 ( 3.430 18.326 0.000) 18.644 1.838 ( 0.566 13.379 0.000) 13.391 1.883 ( 2.901 -2.792 0.000) 4.026 1.966 ( 4.464 -0.249 0.000) 4.471 2.046 ( 1.856 -2.014 0.000) 2.739 2.112 ( -0.311 -6.282 0.000) 6.289 2.216 ( -5.636 7.239 0.000) 9.175 2.230 ( -4.218 4.703 0.000) 6.318 2.370 ( -2.413 -8.453 0.000) 8.791 2.401 ( -4.469 -8.460 0.000) 9.568 2.565 ( 0.840 -0.494 0.000) 0.974 2.594 ( -7.163 3.461 0.000) 7.955 2.694 ( -1.255 -9.977 0.000) 10.055 2.699 ( -4.367 -5.584 0.000) 7.089 2.860 ( -4.298 7.936 0.000) 9.025 2.973 ( -4.689 -5.661 0.000) 7.351 3.094 ( -9.612 4.916 0.000) 10.796 3.188 ( -6.397 -5.014 0.000) 8.127 3.244 ( 7.214 6.808 0.000) 9.919 3.347 ( 5.757 -1.614 0.000) 5.979 3.464 ( 2.568 8.889 0.000) 9.252 3.500 ( 6.032 2.386 0.000) 6.487 3.550 ( 6.868 -2.627 0.000) 7.353 3.599 ( 1.548 -3.230 0.000) 3.582 3.692 ( -5.705 1.123 0.000) 5.814 3.799 ( -6.342 -7.971 0.000) 10.187 3.802 ( 3.450 0.204 0.000) 3.456 3.826 ( 1.337 0.599 0.000) 1.465 4.198 ( 6.395 6.417 0.000) 9.059 4.243 ( 9.340 2.012 0.000) 9.554 4.318 ( -2.676 0.726 0.000) 2.772 4.321 ( -2.030 2.039 0.000) 2.878 4.360 ( -4.416 -3.815 0.000) 5.836 4.441 ( 1.589 -10.650 0.000) 10.768 4.731 ( -1.389 5.393 0.000) 5.569 4.790 ( -0.225 -1.912 0.000) 1.925 4.964 ( -3.853 4.406 0.000) 5.853 4.995 ( -3.775 3.767 0.000) 5.333 5.017 ( 2.469 2.031 0.000) 3.197 5.068 ( -1.874 -0.655 0.000) 1.985 5.114 ( 0.555 -6.312 0.000) 6.337 5.127 ( 0.243 -0.708 0.000) 0.748 5.252 ( 8.253 2.280 0.000) 8.562 5.263 ( 8.833 -0.395 0.000) 8.842 5.327 ( -0.126 6.120 0.000) 6.121 5.366 ( 0.188 2.397 0.000) 2.405 5.395 ( 0.480 6.090 0.000) 6.109 5.494 ( -4.874 8.312 0.000) 9.635 5.523 ( 0.128 -5.284 0.000) 5.285 5.572 ( 3.960 9.078 0.000) 9.904 5.586 ( -0.955 2.727 0.000) 2.889 5.693 ( -2.810 -10.047 0.000) 10.433 5.756 ( -1.897 -11.599 0.000) 11.753 5.773 ( 1.555 -9.570 0.000) 9.696 5.978 ( 5.267 11.712 0.000) 12.841 5.996 ( -0.739 9.346 0.000) 9.375 6.107 ( -3.983 -0.970 0.000) 4.100 6.182 ( -2.396 -1.767 0.000) 2.977 6.279 ( 2.307 -6.164 0.000) 6.582 6.293 ( 0.613 -2.483 0.000) 2.558 6.380 ( 0.078 -0.883 0.000) 0.886 6.428 ( 2.474 -6.923 0.000) 7.352 6.652 ( 2.474 6.668 0.000) 7.112 6.806 ( 2.112 -6.041 0.000) 6.399 6.903 ( -4.857 8.794 0.000) 10.046 6.981 ( 5.484 9.089 0.000) 10.615 7.028 ( -5.888 -4.165 0.000) 7.212 7.178 ( 3.433 23.390 0.000) 23.640 7.227 ( 8.729 -13.474 0.000) 16.055 7.374 ( -2.306 16.518 0.000) 16.678 7.499 ( -6.884 1.164 0.000) 6.982 7.582 ( 1.905 6.746 0.000) 7.010 7.683 ( 1.431 -25.926 0.000) 25.966 7.747 ( 3.618 -0.514 0.000) 3.655 7.896 ( -6.114 -0.231 0.000) 6.118 7.909 ( -6.215 8.190 0.000) 10.281 8.037 ( -4.848 -4.918 0.000) 6.906 8.161 ( -0.423 -19.939 0.000) 19.944 8.183 ( 4.028 9.068 0.000) 9.922 8.344 ( -4.968 5.295 0.000) 7.260 8.417 ( 0.917 -13.195 0.000) 13.227 8.468 ( -8.359 -7.609 0.000) 11.304 8.948 ( 7.696 1.485 0.000) 7.838 8.994 ( 10.592 -2.775 0.000) 10.949 9.353 ( -3.518 6.290 0.000) 7.207 9.416 ( -2.135 3.752 0.000) 4.317 9.703 ( 0.548 7.217 0.000) 7.238 9.755 ( -0.759 11.750 0.000) 11.775 9.796 ( 2.449 -2.950 0.000) 3.833 9.895 ( 1.722 -1.961 0.000) 2.609 10.079 ( -0.387 4.959 0.000) 4.974 10.186 ( -4.032 11.272 0.000) 11.971 10.316 ( -1.947 8.130 0.000) 8.360 10.415 ( -3.831 -19.772 0.000) 20.140 10.453 ( -1.125 -8.426 0.000) 8.500 10.487 ( -3.596 4.319 0.000) 5.620 10.556 ( 2.242 -4.572 0.000) 5.092 10.596 ( 5.350 2.887 0.000) 6.079 10.616 ( -2.718 -6.267 0.000) 6.831 10.741 ( 6.879 -7.480 0.000) 10.162 11.295 ( -5.507 16.232 0.000) 17.141 11.374 ( -12.071 7.258 0.000) 14.085 11.690 ( 1.259 8.662 0.000) 8.753 11.783 ( -2.656 10.057 0.000) 10.402 11.951 ( 5.554 -13.990 0.000) 15.052 11.981 ( 0.760 -7.179 0.000) 7.219 12.173 ( 1.443 -1.021 0.000) 1.767 12.191 ( -0.610 -2.699 0.000) 2.767 12.245 ( 5.700 -11.841 0.000) 13.142 12.326 ( 2.080 -13.574 0.000) 13.732 12.999 ( -6.211 4.756 0.000) 7.823 13.029 ( -8.875 5.652 0.000) 10.522 13.092 ( -3.220 -5.223 0.000) 6.136 13.155 ( -7.049 -7.505 0.000) 10.296 13.498 ( 8.083 1.664 0.000) 8.253 13.552 ( 10.235 -3.599 0.000) 10.849 13.622 ( 9.663 9.068 0.000) 13.252 13.741 ( 4.075 -3.120 0.000) 5.132 14.126 ( 1.566 6.345 0.000) 6.535 14.201 ( -0.368 13.546 0.000) 13.551 14.342 ( 1.499 -13.835 0.000) 13.916 14.480 ( -1.561 -14.327 0.000) 14.411 15.171 ( 5.974 9.174 0.000) 10.947 15.380 ( 4.337 -10.815 0.000) 11.652 15.713 ( -6.453 8.176 0.000) 10.416 15.869 ( -6.320 -7.749 0.000) 9.999 16.851 ( -0.671 9.628 0.000) 9.652 16.866 ( -1.359 18.148 0.000) 18.199 16.978 ( 1.305 -2.914 0.000) 3.193 17.160 ( -3.505 -11.787 0.000) 12.297 ======================= Grid point 17 (12/48) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 11.356 9.620 0.000) 14.883 1.718 ( 2.870 15.418 0.000) 15.683 1.774 ( 11.671 -0.774 0.000) 11.697 1.898 ( 8.706 12.166 0.000) 14.961 1.905 ( -2.582 1.156 0.000) 2.829 2.061 ( -2.344 -1.900 0.000) 3.017 2.065 ( 4.452 -3.224 0.000) 5.497 2.098 ( -1.248 -1.872 0.000) 2.250 2.133 ( -1.507 7.838 0.000) 7.982 2.181 ( -1.352 4.526 0.000) 4.723 2.344 ( 0.340 -10.645 0.000) 10.650 2.349 ( 0.930 -7.515 0.000) 7.572 2.426 ( -6.396 1.018 0.000) 6.477 2.469 ( -8.276 0.407 0.000) 8.286 2.527 ( -9.968 -3.933 0.000) 10.716 2.547 ( -9.548 -5.442 0.000) 10.990 2.882 ( 4.282 1.614 0.000) 4.576 2.963 ( -4.005 2.201 0.000) 4.570 2.965 ( 2.342 -7.671 0.000) 8.021 3.048 ( -6.528 -7.441 0.000) 9.898 3.382 ( 6.424 4.837 0.000) 8.041 3.466 ( 5.684 -2.890 0.000) 6.377 3.482 ( -2.716 6.984 0.000) 7.494 3.575 ( -5.899 -2.297 0.000) 6.330 3.637 ( 5.974 4.642 0.000) 7.566 3.648 ( 3.693 0.182 0.000) 3.697 3.688 ( 3.406 -0.152 0.000) 3.409 3.713 ( -2.676 -4.400 0.000) 5.149 3.878 ( 8.774 5.824 0.000) 10.531 3.954 ( 11.326 -3.950 0.000) 11.995 4.148 ( -13.588 2.870 0.000) 13.888 4.187 ( -10.632 -1.552 0.000) 10.745 4.272 ( 0.704 7.888 0.000) 7.919 4.288 ( -1.166 4.329 0.000) 4.483 4.424 ( 4.957 -4.688 0.000) 6.823 4.461 ( 0.211 -10.601 0.000) 10.604 4.749 ( 3.987 5.615 0.000) 6.887 4.818 ( 3.355 -2.462 0.000) 4.161 4.858 ( -6.391 4.847 0.000) 8.021 4.904 ( -4.804 -0.113 0.000) 4.805 5.056 ( 0.953 1.510 0.000) 1.786 5.058 ( 0.219 2.227 0.000) 2.238 5.135 ( 0.860 -3.214 0.000) 3.327 5.138 ( 1.212 -5.222 0.000) 5.361 5.331 ( 0.952 7.562 0.000) 7.622 5.360 ( -0.499 7.070 0.000) 7.088 5.385 ( 1.806 4.382 0.000) 4.739 5.417 ( 0.652 2.852 0.000) 2.925 5.441 ( 6.955 3.308 0.000) 7.702 5.447 ( 1.014 1.913 0.000) 2.165 5.524 ( 0.099 -6.044 0.000) 6.045 5.568 ( 2.281 3.744 0.000) 4.384 5.597 ( -5.027 -5.069 0.000) 7.140 5.638 ( -0.821 3.486 0.000) 3.581 5.740 ( 1.801 -9.576 0.000) 9.744 5.794 ( -1.115 -7.157 0.000) 7.244 5.984 ( 1.361 7.938 0.000) 8.053 6.042 ( -1.276 6.541 0.000) 6.664 6.081 ( 1.329 -1.562 0.000) 2.051 6.128 ( -2.627 -0.320 0.000) 2.646 6.309 ( 1.265 -4.438 0.000) 4.615 6.326 ( 3.208 -4.643 0.000) 5.644 6.344 ( -2.280 -1.143 0.000) 2.550 6.410 ( -4.115 -7.421 0.000) 8.486 6.761 ( 7.382 5.011 0.000) 8.922 6.840 ( 1.326 -1.573 0.000) 2.057 6.843 ( -1.125 7.204 0.000) 7.291 6.908 ( -6.162 -0.132 0.000) 6.163 7.134 ( 8.241 11.864 0.000) 14.445 7.251 ( 4.593 13.435 0.000) 14.198 7.281 ( -6.753 10.039 0.000) 12.099 7.360 ( -6.658 4.851 0.000) 8.238 7.445 ( 12.327 -5.949 0.000) 13.687 7.608 ( -0.578 7.570 0.000) 7.592 7.689 ( -1.581 -5.145 0.000) 5.382 7.720 ( -8.043 4.290 0.000) 9.116 7.835 ( 3.568 -7.005 0.000) 7.862 7.874 ( 4.284 -9.950 0.000) 10.833 7.933 ( -4.699 -7.428 0.000) 8.789 8.059 ( -10.177 -24.007 0.000) 26.075 8.238 ( 1.753 7.591 0.000) 7.791 8.269 ( -2.258 6.349 0.000) 6.739 8.394 ( 0.713 -6.283 0.000) 6.323 8.419 ( -0.862 -10.000 0.000) 10.037 9.109 ( 8.272 4.613 0.000) 9.471 9.194 ( 9.304 -3.472 0.000) 9.931 9.255 ( -6.443 5.937 0.000) 8.761 9.342 ( -5.695 -1.028 0.000) 5.787 9.717 ( 0.840 11.983 0.000) 12.012 9.736 ( -1.109 13.989 0.000) 14.033 9.862 ( 3.749 -3.937 0.000) 5.437 9.912 ( -0.770 -4.507 0.000) 4.572 10.083 ( 1.245 6.013 0.000) 6.140 10.123 ( -2.556 6.421 0.000) 6.911 10.297 ( 0.461 3.427 0.000) 3.458 10.338 ( -3.448 -6.226 0.000) 7.117 10.414 ( -1.593 -8.115 0.000) 8.270 10.422 ( -2.410 -3.353 0.000) 4.129 10.528 ( -0.668 -7.676 0.000) 7.705 10.551 ( -3.003 -7.749 0.000) 8.310 10.839 ( 14.484 6.538 0.000) 15.891 10.918 ( 10.964 -1.509 0.000) 11.068 11.113 ( -12.807 8.064 0.000) 15.134 11.145 ( -11.660 4.253 0.000) 12.412 11.707 ( 1.053 12.660 0.000) 12.704 11.738 ( -2.003 13.175 0.000) 13.326 11.990 ( 0.327 -9.957 0.000) 9.962 11.997 ( -0.045 -14.166 0.000) 14.166 12.203 ( 1.193 1.389 0.000) 1.831 12.204 ( 1.110 2.690 0.000) 2.910 12.348 ( 3.889 -16.413 0.000) 16.868 12.372 ( 1.473 -15.677 0.000) 15.747 12.904 ( -3.308 7.392 0.000) 8.099 12.905 ( -2.968 7.707 0.000) 8.259 13.040 ( -1.470 -6.553 0.000) 6.716 13.051 ( -2.940 -7.614 0.000) 8.162 13.653 ( 6.901 3.660 0.000) 7.811 13.724 ( 6.244 -2.481 0.000) 6.719 13.731 ( 0.186 4.632 0.000) 4.635 13.779 ( 0.029 0.434 0.000) 0.435 14.164 ( 1.916 6.697 0.000) 6.966 14.190 ( -0.827 9.764 0.000) 9.799 14.384 ( 2.735 -13.326 0.000) 13.604 14.438 ( -2.581 -13.827 0.000) 14.065 15.334 ( 10.261 7.556 0.000) 12.743 15.510 ( 8.865 -9.777 0.000) 13.198 15.543 ( -10.439 7.681 0.000) 12.960 15.703 ( -10.086 -8.711 0.000) 13.327 16.839 ( -0.370 12.414 0.000) 12.419 16.843 ( -0.798 15.716 0.000) 15.736 17.017 ( 2.693 -5.364 0.000) 6.002 17.083 ( -3.959 -8.569 0.000) 9.439 ======================= Grid point 35 (13/48) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 0.000 26.781) 26.781 0.574 ( 0.000 0.000 29.461) 29.461 0.783 ( 0.000 0.000 21.081) 21.081 0.914 ( 0.000 0.000 33.786) 33.786 1.704 ( 0.000 0.000 -1.545) 1.545 1.720 ( 0.000 0.000 -6.977) 6.977 1.853 ( 0.000 0.000 1.443) 1.443 2.230 ( 0.000 0.000 -12.860) 12.860 2.331 ( 0.000 0.000 -3.984) 3.984 2.481 ( 0.000 0.000 -6.870) 6.870 2.581 ( 0.000 0.000 -4.404) 4.404 2.635 ( 0.000 0.000 4.513) 4.513 2.671 ( 0.000 0.000 -7.615) 7.615 2.677 ( 0.000 0.000 -4.634) 4.634 2.771 ( 0.000 0.000 -4.953) 4.953 2.943 ( 0.000 0.000 -2.636) 2.636 2.944 ( 0.000 0.000 -4.939) 4.939 2.946 ( 0.000 0.000 -0.836) 0.836 2.985 ( 0.000 0.000 -1.049) 1.049 3.019 ( 0.000 0.000 -1.345) 1.345 3.199 ( 0.000 0.000 16.024) 16.024 3.232 ( 0.000 0.000 -5.544) 5.544 3.456 ( 0.000 0.000 -2.895) 2.895 3.565 ( 0.000 0.000 -4.270) 4.270 3.604 ( 0.000 0.000 4.654) 4.654 3.701 ( 0.000 0.000 -3.584) 3.584 3.776 ( 0.000 0.000 -12.243) 12.243 3.836 ( 0.000 0.000 15.131) 15.131 3.841 ( 0.000 0.000 -12.432) 12.432 4.007 ( 0.000 0.000 2.433) 2.433 4.074 ( 0.000 0.000 4.801) 4.801 4.222 ( 0.000 0.000 -6.398) 6.398 4.311 ( 0.000 0.000 -0.395) 0.395 4.456 ( 0.000 0.000 -0.139) 0.139 4.478 ( 0.000 0.000 5.196) 5.196 4.480 ( 0.000 0.000 8.021) 8.021 4.482 ( 0.000 0.000 6.516) 6.516 4.828 ( 0.000 0.000 -10.603) 10.603 4.843 ( 0.000 0.000 0.171) 0.171 4.970 ( 0.000 0.000 4.899) 4.899 4.999 ( 0.000 0.000 -4.252) 4.252 5.029 ( 0.000 0.000 -9.272) 9.272 5.118 ( 0.000 0.000 -1.808) 1.808 5.148 ( 0.000 0.000 0.995) 0.995 5.165 ( 0.000 0.000 -5.932) 5.932 5.210 ( 0.000 0.000 -2.669) 2.669 5.251 ( 0.000 0.000 2.118) 2.118 5.304 ( 0.000 0.000 2.860) 2.860 5.346 ( 0.000 0.000 0.925) 0.925 5.391 ( 0.000 0.000 0.433) 0.433 5.436 ( 0.000 0.000 -3.731) 3.731 5.488 ( 0.000 0.000 16.865) 16.865 5.577 ( 0.000 0.000 0.705) 0.705 5.632 ( 0.000 0.000 4.021) 4.021 5.766 ( 0.000 0.000 -6.182) 6.182 5.897 ( 0.000 0.000 0.103) 0.103 5.990 ( 0.000 0.000 -4.572) 4.572 5.997 ( 0.000 0.000 4.589) 4.589 6.068 ( 0.000 0.000 -18.179) 18.179 6.159 ( 0.000 0.000 4.231) 4.231 6.316 ( 0.000 0.000 7.242) 7.242 6.332 ( 0.000 0.000 6.104) 6.104 6.403 ( 0.000 0.000 -3.665) 3.665 6.444 ( 0.000 0.000 15.188) 15.188 6.502 ( 0.000 0.000 -8.055) 8.055 6.554 ( 0.000 0.000 1.494) 1.494 6.650 ( 0.000 0.000 2.893) 2.893 6.775 ( 0.000 0.000 -2.743) 2.743 6.799 ( 0.000 0.000 6.720) 6.720 6.890 ( 0.000 0.000 15.384) 15.384 7.392 ( 0.000 0.000 -2.338) 2.338 7.490 ( 0.000 0.000 -2.705) 2.705 7.632 ( 0.000 0.000 1.338) 1.338 7.648 ( 0.000 0.000 -0.802) 0.802 7.699 ( 0.000 0.000 7.899) 7.899 7.701 ( 0.000 0.000 1.981) 1.981 7.794 ( 0.000 0.000 -3.483) 3.483 7.806 ( 0.000 0.000 9.723) 9.723 8.094 ( 0.000 0.000 -4.905) 4.905 8.243 ( 0.000 0.000 0.097) 0.097 8.426 ( 0.000 0.000 -5.433) 5.433 8.517 ( 0.000 0.000 1.453) 1.453 8.833 ( 0.000 0.000 -2.548) 2.548 8.865 ( 0.000 0.000 -3.255) 3.255 8.871 ( 0.000 0.000 -2.336) 2.336 8.936 ( 0.000 0.000 1.085) 1.085 9.234 ( 0.000 0.000 -6.669) 6.669 9.275 ( 0.000 0.000 -2.667) 2.667 9.295 ( 0.000 0.000 -0.062) 0.062 9.455 ( 0.000 0.000 -2.565) 2.565 9.694 ( 0.000 0.000 -6.736) 6.736 9.711 ( 0.000 0.000 7.954) 7.954 9.775 ( 0.000 0.000 -8.529) 8.529 10.143 ( 0.000 0.000 -3.726) 3.726 10.162 ( 0.000 0.000 1.454) 1.454 10.216 ( 0.000 0.000 3.484) 3.484 10.435 ( 0.000 0.000 7.397) 7.397 10.591 ( 0.000 0.000 -4.072) 4.072 10.731 ( 0.000 0.000 -0.368) 0.368 10.839 ( 0.000 0.000 4.753) 4.753 10.846 ( 0.000 0.000 0.842) 0.842 10.895 ( 0.000 0.000 -3.627) 3.627 10.937 ( 0.000 0.000 2.040) 2.040 10.962 ( 0.000 0.000 10.468) 10.468 11.263 ( 0.000 0.000 -2.288) 2.288 11.496 ( 0.000 0.000 2.784) 2.784 12.100 ( 0.000 0.000 5.285) 5.285 12.144 ( 0.000 0.000 -1.038) 1.038 12.339 ( 0.000 0.000 4.270) 4.270 12.415 ( 0.000 0.000 -5.343) 5.343 12.735 ( 0.000 0.000 -9.997) 9.997 12.800 ( 0.000 0.000 9.667) 9.667 12.875 ( 0.000 0.000 -14.595) 14.595 13.141 ( 0.000 0.000 8.434) 8.434 13.315 ( 0.000 0.000 2.354) 2.354 13.315 ( 0.000 0.000 -6.076) 6.076 13.478 ( 0.000 0.000 3.973) 3.973 13.584 ( 0.000 0.000 1.742) 1.742 13.803 ( 0.000 0.000 1.027) 1.027 14.274 ( 0.000 0.000 0.432) 0.432 14.279 ( 0.000 0.000 0.446) 0.446 14.335 ( 0.000 0.000 6.535) 6.535 14.677 ( 0.000 0.000 -3.364) 3.364 15.053 ( 0.000 0.000 -6.481) 6.481 15.332 ( 0.000 0.000 2.261) 2.261 15.578 ( 0.000 0.000 -1.381) 1.381 15.612 ( 0.000 0.000 -1.347) 1.347 15.754 ( 0.000 0.000 0.953) 0.953 16.247 ( 0.000 0.000 -0.329) 0.329 16.621 ( 0.000 0.000 0.064) 0.064 16.636 ( 0.000 0.000 -0.112) 0.112 16.651 ( 0.000 0.000 -7.394) 7.394 ======================= Grid point 36 (14/48) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 18.300 0.000 14.623) 23.425 0.793 ( 19.399 0.000 18.785) 27.003 0.979 ( 13.086 0.000 8.946) 15.852 1.333 ( 33.436 0.000 27.745) 43.448 1.700 ( -0.264 0.000 -4.276) 4.284 1.750 ( 2.214 0.000 -5.082) 5.543 1.879 ( 0.315 0.000 -0.358) 0.477 2.134 ( -17.521 0.000 -5.775) 18.449 2.281 ( 4.054 0.000 -9.933) 10.729 2.325 ( -20.614 0.000 -0.705) 20.626 2.434 ( 2.178 0.000 1.558) 2.678 2.541 ( -9.854 0.000 1.223) 9.929 2.624 ( -2.753 0.000 -2.683) 3.844 2.678 ( 2.024 0.000 1.684) 2.633 2.737 ( -9.163 0.000 -4.190) 10.076 2.880 ( 0.665 0.000 -8.488) 8.514 2.930 ( -4.042 0.000 -1.323) 4.253 2.968 ( -0.733 0.000 -2.047) 2.175 3.015 ( 3.879 0.000 -2.431) 4.578 3.147 ( 8.871 0.000 -4.953) 10.160 3.217 ( 2.244 0.000 7.852) 8.167 3.279 ( 4.847 0.000 1.291) 5.016 3.352 ( -12.628 0.000 2.276) 12.832 3.484 ( -6.241 0.000 1.720) 6.474 3.608 ( -5.720 0.000 2.028) 6.069 3.679 ( 7.862 0.000 -9.829) 12.587 3.796 ( -2.322 0.000 -6.420) 6.827 3.816 ( 3.312 0.000 -11.171) 11.651 3.905 ( -3.090 0.000 4.749) 5.666 4.046 ( -2.351 0.000 5.880) 6.333 4.103 ( 10.051 0.000 3.749) 10.727 4.203 ( 9.660 0.000 10.086) 13.966 4.279 ( -6.679 0.000 0.904) 6.740 4.290 ( -4.276 0.000 3.766) 5.698 4.345 ( -5.856 0.000 -0.923) 5.928 4.430 ( -4.281 0.000 5.506) 6.975 4.555 ( -1.775 0.000 11.306) 11.444 4.810 ( -3.439 0.000 -8.123) 8.821 4.859 ( -0.063 0.000 -4.397) 4.397 4.894 ( -4.321 0.000 -4.686) 6.374 4.968 ( 2.712 0.000 4.894) 5.595 5.047 ( 1.140 0.000 -7.285) 7.374 5.058 ( 2.056 0.000 -4.495) 4.943 5.095 ( -0.748 0.000 -1.068) 1.304 5.152 ( 0.491 0.000 0.288) 0.569 5.208 ( 2.111 0.000 -1.225) 2.441 5.280 ( -1.114 0.000 -0.771) 1.354 5.291 ( 4.761 0.000 2.497) 5.376 5.385 ( -2.480 0.000 3.687) 4.444 5.404 ( 4.024 0.000 1.559) 4.315 5.486 ( -0.871 0.000 16.049) 16.073 5.555 ( -2.507 0.000 0.474) 2.552 5.631 ( 12.287 0.000 -6.901) 14.093 5.677 ( -8.320 0.000 -3.307) 8.953 5.795 ( 3.361 0.000 9.465) 10.044 5.832 ( -8.040 0.000 2.285) 8.359 5.938 ( 1.555 0.000 -9.134) 9.266 5.946 ( 0.910 0.000 4.793) 4.879 6.137 ( 3.122 0.000 -15.226) 15.543 6.186 ( -4.936 0.000 6.358) 8.049 6.204 ( 1.860 0.000 6.216) 6.489 6.341 ( 0.651 0.000 -1.561) 1.692 6.405 ( -2.993 0.000 16.221) 16.495 6.435 ( 0.720 0.000 -5.616) 5.662 6.482 ( -0.153 0.000 -5.490) 5.492 6.753 ( 7.205 0.000 2.205) 7.534 6.758 ( 5.281 0.000 -3.620) 6.402 6.790 ( 1.469 0.000 5.767) 5.951 6.836 ( 3.215 0.000 5.831) 6.659 6.910 ( 1.567 0.000 5.044) 5.282 7.281 ( -16.710 0.000 0.687) 16.724 7.376 ( -5.672 0.000 -7.455) 9.368 7.622 ( -0.532 0.000 0.281) 0.602 7.662 ( 0.350 0.000 -0.115) 0.369 7.734 ( 3.361 0.000 3.507) 4.858 7.783 ( 0.011 0.000 -3.713) 3.714 7.895 ( 11.281 0.000 -5.249) 12.442 7.940 ( 8.654 0.000 3.429) 9.309 8.052 ( -4.156 0.000 -3.755) 5.601 8.218 ( -2.362 0.000 0.006) 2.362 8.485 ( 5.583 0.000 -2.933) 6.307 8.556 ( 3.805 0.000 0.029) 3.805 8.761 ( -5.273 0.000 -4.371) 6.850 8.813 ( -2.085 0.000 -1.764) 2.731 8.887 ( 0.413 0.000 -0.028) 0.414 8.976 ( 1.526 0.000 3.905) 4.193 9.215 ( 0.652 0.000 -2.971) 3.042 9.267 ( -0.024 0.000 -1.718) 1.718 9.419 ( -0.446 0.000 -0.062) 0.450 9.458 ( 6.581 0.000 -11.209) 12.998 9.611 ( -8.085 0.000 7.540) 11.055 9.758 ( -1.955 0.000 -8.464) 8.687 9.779 ( 7.373 0.000 -5.102) 8.966 10.154 ( 0.271 0.000 2.701) 2.715 10.206 ( 5.371 0.000 -3.818) 6.590 10.213 ( -0.161 0.000 3.123) 3.127 10.446 ( -0.803 0.000 4.959) 5.024 10.612 ( -11.642 0.000 -1.250) 11.709 10.631 ( 2.949 0.000 -3.699) 4.730 10.741 ( -1.089 0.000 -2.744) 2.952 10.870 ( -0.382 0.000 4.751) 4.766 10.934 ( -0.619 0.000 2.380) 2.460 10.999 ( 6.424 0.000 9.179) 11.204 11.068 ( 7.234 0.000 -1.153) 7.325 11.257 ( -0.756 0.000 -1.829) 1.979 11.459 ( -3.785 0.000 4.061) 5.552 12.146 ( 2.918 0.000 0.961) 3.073 12.174 ( 4.785 0.000 4.374) 6.483 12.302 ( -2.582 0.000 1.436) 2.954 12.355 ( -3.651 0.000 -3.188) 4.847 12.628 ( -10.688 0.000 8.977) 13.957 12.882 ( 10.246 0.000 -8.542) 13.339 12.997 ( -20.801 0.000 14.765) 25.509 13.040 ( 10.654 0.000 -11.673) 15.804 13.242 ( 5.494 0.000 4.095) 6.852 13.327 ( -0.987 0.000 -5.781) 5.865 13.468 ( 2.138 0.000 2.609) 3.373 13.657 ( 2.755 0.000 -1.682) 3.228 13.766 ( -2.549 0.000 1.575) 2.997 14.100 ( -12.528 0.000 14.688) 19.305 14.291 ( 2.322 0.000 1.208) 2.618 14.430 ( 10.292 0.000 -5.383) 11.615 14.639 ( -3.951 0.000 -1.950) 4.406 14.993 ( -5.693 0.000 -6.743) 8.825 15.359 ( 2.689 0.000 1.671) 3.166 15.486 ( 0.169 0.000 -5.247) 5.249 15.586 ( -2.599 0.000 -1.130) 2.834 15.741 ( -2.006 0.000 2.473) 3.184 16.466 ( 8.277 0.000 -4.614) 9.476 16.623 ( 0.138 0.000 0.053) 0.148 16.635 ( -0.150 0.000 -0.089) 0.174 16.680 ( 1.006 0.000 -9.973) 10.024 ======================= Grid point 37 (15/48) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 21.123 0.000 6.330) 22.051 1.232 ( 24.109 0.000 7.587) 25.274 1.240 ( 8.899 0.000 7.315) 11.520 1.630 ( -11.442 0.000 -2.538) 11.720 1.653 ( -4.470 0.000 0.174) 4.474 1.787 ( -15.651 0.000 -2.790) 15.898 1.795 ( 2.513 0.000 -4.213) 4.905 1.916 ( -14.742 0.000 0.771) 14.762 2.124 ( 28.275 0.000 9.441) 29.809 2.405 ( 6.923 0.000 -6.592) 9.560 2.445 ( 2.945 0.000 -0.747) 3.039 2.510 ( -6.515 0.000 1.540) 6.695 2.534 ( -5.964 0.000 -4.563) 7.510 2.555 ( -1.807 0.000 0.809) 1.980 2.733 ( -11.454 0.000 1.076) 11.504 2.755 ( 5.541 0.000 3.533) 6.572 2.804 ( -10.784 0.000 -1.894) 10.949 2.878 ( -6.524 0.000 1.947) 6.808 3.122 ( 5.293 0.000 -3.231) 6.201 3.204 ( -2.931 0.000 -1.812) 3.446 3.217 ( 3.918 0.000 0.501) 3.950 3.333 ( 8.362 0.000 -2.303) 8.673 3.353 ( -7.808 0.000 0.342) 7.816 3.498 ( -7.357 0.000 3.215) 8.028 3.506 ( 16.133 0.000 2.761) 16.368 3.746 ( -3.570 0.000 -9.146) 9.818 3.811 ( 1.649 0.000 -5.557) 5.797 3.837 ( -2.504 0.000 -0.958) 2.681 3.879 ( 3.357 0.000 -9.458) 10.036 4.009 ( -12.564 0.000 -2.010) 12.724 4.014 ( 2.045 0.000 -0.949) 2.255 4.136 ( -7.154 0.000 -4.341) 8.368 4.312 ( -0.031 0.000 1.165) 1.166 4.330 ( -0.569 0.000 2.957) 3.011 4.414 ( 3.455 0.000 3.137) 4.666 4.430 ( 13.819 0.000 2.764) 14.093 4.472 ( -3.357 0.000 5.415) 6.371 4.686 ( -9.751 0.000 -3.774) 10.455 4.910 ( 8.563 0.000 0.272) 8.567 4.954 ( 3.999 0.000 1.051) 4.135 5.040 ( 3.407 0.000 1.677) 3.797 5.056 ( -1.278 0.000 2.352) 2.677 5.072 ( -0.202 0.000 -2.988) 2.995 5.106 ( -0.165 0.000 -0.268) 0.315 5.175 ( 3.405 0.000 3.316) 4.753 5.212 ( -3.901 0.000 -0.630) 3.951 5.233 ( -1.792 0.000 -0.384) 1.833 5.320 ( -8.596 0.000 7.691) 11.534 5.406 ( 6.031 0.000 2.039) 6.366 5.473 ( 5.341 0.000 1.060) 5.445 5.476 ( 1.494 0.000 0.187) 1.506 5.512 ( -0.258 0.000 1.456) 1.478 5.563 ( -1.859 0.000 3.642) 4.089 5.662 ( -8.761 0.000 2.298) 9.057 5.754 ( 0.069 0.000 2.988) 2.989 5.789 ( -1.992 0.000 1.290) 2.373 6.003 ( 3.983 0.000 0.542) 4.020 6.028 ( 6.314 0.000 7.739) 9.988 6.102 ( -4.928 0.000 2.036) 5.332 6.155 ( -5.812 0.000 10.084) 11.639 6.249 ( 8.567 0.000 -12.268) 14.963 6.396 ( -5.219 0.000 -11.223) 12.377 6.403 ( 4.636 0.000 -8.696) 9.854 6.445 ( 9.875 0.000 6.513) 11.829 6.472 ( -1.874 0.000 -6.424) 6.692 6.701 ( -10.832 0.000 3.267) 11.314 6.859 ( 4.112 0.000 9.114) 9.999 6.864 ( 3.709 0.000 3.485) 5.089 6.889 ( 1.208 0.000 4.102) 4.276 6.953 ( -3.042 0.000 4.459) 5.398 7.028 ( 0.811 0.000 1.281) 1.516 7.202 ( -10.849 0.000 -3.873) 11.520 7.619 ( 0.400 0.000 -0.310) 0.506 7.642 ( -1.749 0.000 -0.629) 1.859 7.834 ( 4.876 0.000 -3.124) 5.791 7.843 ( 7.358 0.000 -1.027) 7.429 7.946 ( -6.141 0.000 -3.066) 6.864 7.966 ( -3.290 0.000 -4.877) 5.883 8.077 ( 5.681 0.000 -0.570) 5.710 8.163 ( -3.277 0.000 -0.280) 3.289 8.603 ( 5.323 0.000 -2.033) 5.698 8.650 ( 5.390 0.000 -1.116) 5.504 8.681 ( -3.327 0.000 -4.018) 5.217 8.749 ( -4.442 0.000 -1.187) 4.598 8.909 ( 2.164 0.000 3.276) 3.926 8.963 ( -2.563 0.000 5.455) 6.027 9.267 ( 4.271 0.000 -2.662) 5.032 9.306 ( 4.451 0.000 2.151) 4.944 9.356 ( -4.361 0.000 -1.418) 4.586 9.438 ( -8.658 0.000 6.395) 10.764 9.594 ( 6.167 0.000 -9.404) 11.245 9.697 ( -4.304 0.000 -8.515) 9.541 9.969 ( 11.731 0.000 -4.318) 12.501 10.177 ( 1.684 0.000 2.409) 2.939 10.205 ( -0.891 0.000 2.488) 2.642 10.208 ( -10.595 0.000 -3.964) 11.312 10.402 ( 4.492 0.000 0.178) 4.495 10.503 ( -3.679 0.000 0.099) 3.680 10.685 ( 2.073 0.000 -2.471) 3.225 10.712 ( -1.308 0.000 -1.163) 1.750 10.851 ( 0.126 0.000 5.445) 5.447 10.890 ( -3.044 0.000 3.406) 4.568 11.166 ( 3.572 0.000 -0.649) 3.630 11.173 ( 9.723 0.000 6.932) 11.941 11.226 ( -2.527 0.000 -0.964) 2.705 11.347 ( -7.675 0.000 5.692) 9.555 12.196 ( 2.714 0.000 -1.495) 3.099 12.250 ( -2.766 0.000 -1.039) 2.955 12.336 ( 2.244 0.000 2.005) 3.009 12.340 ( 11.442 0.000 9.568) 14.916 12.439 ( -7.935 0.000 6.824) 10.465 12.616 ( -16.940 0.000 14.260) 22.143 13.098 ( 10.762 0.000 -7.275) 12.990 13.218 ( 6.261 0.000 -9.598) 11.460 13.257 ( -4.388 0.000 -2.845) 5.229 13.297 ( -2.400 0.000 -7.791) 8.152 13.542 ( 5.225 0.000 2.841) 5.947 13.644 ( -4.258 0.000 2.559) 4.968 13.774 ( 4.177 0.000 2.270) 4.753 13.899 ( -8.375 0.000 8.504) 11.936 14.382 ( 6.824 0.000 2.203) 7.170 14.527 ( -7.223 0.000 0.776) 7.265 14.648 ( 11.213 0.000 -6.464) 12.943 14.847 ( -9.024 0.000 -6.664) 11.218 15.430 ( 4.361 0.000 0.507) 4.390 15.517 ( -4.279 0.000 -0.496) 4.308 15.559 ( 5.805 0.000 -7.372) 9.383 15.672 ( -5.047 0.000 -3.181) 5.966 16.574 ( 4.418 0.000 -1.838) 4.785 16.626 ( 0.229 0.000 0.018) 0.230 16.631 ( -0.236 0.000 -0.035) 0.238 16.652 ( -3.332 0.000 -5.089) 6.083 ======================= Grid point 40 (16/48) ======================= q-point: ( 0.00 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 0.000 16.851 15.031) 22.581 0.760 ( 0.000 19.531 15.701) 25.059 0.914 ( 0.000 9.358 7.659) 12.092 1.372 ( 0.000 35.286 29.108) 45.742 1.718 ( 0.000 -0.851 -1.918) 2.099 1.757 ( 0.000 3.529 -7.070) 7.902 1.787 ( 0.000 -3.134 2.100) 3.772 2.267 ( 0.000 0.320 -10.512) 10.517 2.292 ( 0.000 -1.631 -1.398) 2.149 2.318 ( 0.000 -8.525 0.323) 8.531 2.489 ( 0.000 -7.239 -0.966) 7.303 2.649 ( 0.000 0.063 -6.638) 6.639 2.689 ( 0.000 3.477 -1.594) 3.825 2.729 ( 0.000 -2.856 -2.524) 3.812 2.770 ( 0.000 4.990 -4.909) 6.999 2.855 ( 0.000 -8.439 1.656) 8.600 2.896 ( 0.000 -6.699 -5.567) 8.710 2.972 ( 0.000 -1.725 0.826) 1.912 3.005 ( 0.000 0.758 -2.184) 2.312 3.039 ( 0.000 7.052 -1.487) 7.207 3.236 ( 0.000 6.282 5.456) 8.320 3.333 ( 0.000 -0.766 -2.745) 2.850 3.450 ( 0.000 7.795 -3.312) 8.469 3.485 ( 0.000 -4.063 -0.387) 4.081 3.564 ( 0.000 -6.182 3.243) 6.981 3.714 ( 0.000 -10.286 -2.483) 10.582 3.755 ( 0.000 7.458 0.167) 7.460 3.822 ( 0.000 -3.669 -9.166) 9.873 3.831 ( 0.000 0.555 13.213) 13.224 4.002 ( 0.000 -4.369 6.068) 7.477 4.032 ( 0.000 1.703 4.562) 4.870 4.062 ( 0.000 0.299 -3.199) 3.213 4.186 ( 0.000 -13.043 8.093) 15.350 4.383 ( 0.000 6.531 0.069) 6.531 4.490 ( 0.000 1.111 5.124) 5.243 4.500 ( 0.000 0.693 5.551) 5.594 4.750 ( 0.000 7.872 -5.964) 9.876 4.801 ( 0.000 -2.689 -11.295) 11.611 4.846 ( 0.000 0.229 -1.317) 1.337 4.914 ( 0.000 -2.473 -1.126) 2.717 4.914 ( 0.000 -4.747 2.674) 5.448 5.009 ( 0.000 -1.189 -11.542) 11.603 5.048 ( 0.000 -4.080 -1.019) 4.205 5.104 ( 0.000 -2.792 -2.147) 3.523 5.160 ( 0.000 0.047 -3.677) 3.678 5.224 ( 0.000 2.751 -3.161) 4.190 5.257 ( 0.000 0.758 3.225) 3.312 5.298 ( 0.000 -5.094 2.296) 5.588 5.340 ( 0.000 3.193 3.125) 4.468 5.385 ( 0.000 1.645 2.477) 2.973 5.402 ( 0.000 -2.054 5.451) 5.826 5.535 ( 0.000 0.433 3.869) 3.893 5.610 ( 0.000 5.788 7.640) 9.585 5.638 ( 0.000 5.098 0.724) 5.149 5.798 ( 0.000 -3.184 6.477) 7.217 5.873 ( 0.000 -1.725 -2.412) 2.965 5.882 ( 0.000 7.754 -2.101) 8.034 6.157 ( 0.000 4.778 7.506) 8.898 6.159 ( 0.000 6.133 -8.817) 10.741 6.212 ( 0.000 6.009 -4.473) 7.491 6.257 ( 0.000 9.828 3.529) 10.442 6.316 ( 0.000 -1.476 7.378) 7.524 6.360 ( 0.000 -3.685 -0.984) 3.814 6.392 ( 0.000 -3.070 12.137) 12.520 6.547 ( 0.000 0.362 2.042) 2.074 6.640 ( 0.000 -1.652 -4.155) 4.471 6.716 ( 0.000 6.144 1.923) 6.437 6.761 ( 0.000 -1.040 2.601) 2.801 6.848 ( 0.000 -4.346 12.674) 13.398 7.092 ( 0.000 8.501 -12.211) 14.879 7.389 ( 0.000 -1.284 -0.925) 1.582 7.468 ( 0.000 -3.317 -3.682) 4.956 7.502 ( 0.000 -6.806 4.115) 7.954 7.633 ( 0.000 -4.478 0.171) 4.482 7.762 ( 0.000 1.752 5.120) 5.412 7.773 ( 0.000 -1.907 -2.126) 2.856 7.813 ( 0.000 6.449 3.854) 7.513 7.862 ( 0.000 9.972 -5.675) 11.474 8.127 ( 0.000 2.030 -2.547) 3.257 8.213 ( 0.000 -2.023 -0.715) 2.145 8.412 ( 0.000 -1.420 -5.483) 5.664 8.657 ( 0.000 12.764 0.778) 12.787 8.702 ( 0.000 -8.478 -1.412) 8.594 8.853 ( 0.000 -2.370 -0.100) 2.373 8.891 ( 0.000 -3.584 0.156) 3.587 8.900 ( 0.000 -14.551 1.631) 14.643 9.090 ( 0.000 8.328 -7.180) 10.996 9.122 ( 0.000 -10.237 -7.905) 12.934 9.358 ( 0.000 1.564 2.147) 2.656 9.695 ( 0.000 14.537 -7.365) 16.297 9.730 ( 0.000 -4.259 -9.446) 10.362 9.749 ( 0.000 4.251 -4.545) 6.223 9.877 ( 0.000 6.957 3.155) 7.639 10.184 ( 0.000 3.098 1.828) 3.597 10.190 ( 0.000 2.933 -2.632) 3.941 10.199 ( 0.000 2.496 2.745) 3.710 10.367 ( 0.000 -12.766 -0.557) 12.778 10.488 ( 0.000 6.091 3.761) 7.159 10.766 ( 0.000 2.485 -0.620) 2.561 10.817 ( 0.000 -0.837 5.037) 5.106 10.887 ( 0.000 -3.661 0.901) 3.771 10.920 ( 0.000 -2.830 9.212) 9.637 11.040 ( 0.000 11.293 -1.928) 11.456 11.116 ( 0.000 16.596 -0.194) 16.598 11.319 ( 0.000 -5.728 -1.556) 5.935 11.437 ( 0.000 2.094 -8.071) 8.339 12.090 ( 0.000 -0.878 5.242) 5.315 12.107 ( 0.000 -3.479 -0.838) 3.579 12.301 ( 0.000 -3.327 3.385) 4.746 12.542 ( 0.000 7.993 -9.491) 12.408 12.653 ( 0.000 -8.778 -9.103) 12.646 12.790 ( 0.000 -7.159 -8.846) 11.380 12.834 ( 0.000 3.092 7.739) 8.334 13.129 ( 0.000 -3.862 1.734) 4.233 13.253 ( 0.000 -5.534 -3.407) 6.499 13.300 ( 0.000 -1.381 5.863) 6.024 13.488 ( 0.000 -7.395 4.362) 8.585 13.507 ( 0.000 2.806 -0.997) 2.978 13.799 ( 0.000 0.758 1.271) 1.480 14.089 ( 0.000 -16.126 6.162) 17.263 14.123 ( 0.000 -8.728 7.904) 11.775 14.259 ( 0.000 -26.788 13.731) 30.102 14.383 ( 0.000 7.767 1.613) 7.932 14.955 ( 0.000 -8.763 -3.825) 9.562 15.375 ( 0.000 -16.419 -1.311) 16.472 15.429 ( 0.000 6.399 -0.016) 6.399 15.624 ( 0.000 0.126 12.315) 12.316 15.885 ( 0.000 19.977 0.489) 19.983 16.234 ( 0.000 0.028 -1.101) 1.101 16.459 ( 0.000 3.336 -7.104) 7.848 16.754 ( 0.000 9.456 -0.688) 9.481 17.215 ( 0.000 14.417 -19.662) 24.381 ======================= Grid point 41 (17/48) ======================= q-point: ( 0.20 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 15.147 15.997 7.129) 23.155 1.002 ( 16.723 15.816 13.435) 26.652 1.063 ( 13.324 9.342 7.384) 17.870 1.588 ( 20.332 21.520 20.223) 35.853 1.729 ( -1.282 2.348 -4.962) 5.637 1.756 ( 2.068 -0.894 -1.449) 2.679 1.844 ( 2.935 -0.736 -2.887) 4.182 2.106 ( -13.176 -1.030 -4.207) 13.870 2.278 ( -11.383 -2.363 -0.868) 11.658 2.342 ( 2.881 -0.556 -3.304) 4.419 2.385 ( 0.384 -0.633 0.439) 0.861 2.523 ( -6.969 -0.507 -2.018) 7.273 2.632 ( -5.319 -0.013 -2.091) 5.716 2.709 ( 0.349 2.048 0.705) 2.194 2.771 ( -8.396 1.054 -1.606) 8.613 2.836 ( -3.127 -7.867 2.661) 8.874 2.852 ( -3.809 -0.757 -7.965) 8.861 3.002 ( -1.501 0.260 -1.472) 2.118 3.044 ( 8.971 -5.271 -3.664) 11.031 3.089 ( 3.065 6.325 -2.357) 7.413 3.213 ( 2.779 -0.091 2.255) 3.580 3.260 ( -3.223 -0.626 -1.295) 3.530 3.440 ( -1.566 3.945 -3.282) 5.365 3.516 ( -0.436 1.403 3.550) 3.842 3.536 ( -3.574 -1.839 4.287) 5.876 3.682 ( -1.792 -4.806 -7.377) 8.985 3.745 ( 1.801 -2.575 -0.915) 3.273 3.836 ( -0.428 1.965 -6.688) 6.984 3.868 ( 2.217 -2.317 3.636) 4.848 4.036 ( 0.754 4.715 -1.457) 4.993 4.083 ( 4.106 -3.307 5.791) 7.831 4.165 ( 0.134 -8.748 3.702) 9.500 4.208 ( 13.641 -0.051 8.730) 16.195 4.327 ( -9.317 2.305 0.415) 9.606 4.394 ( -3.593 4.319 0.402) 5.632 4.470 ( -2.847 2.063 3.260) 4.794 4.654 ( -8.795 6.356 3.038) 11.268 4.750 ( -1.599 -1.716 -7.635) 7.987 4.868 ( 1.154 1.316 -3.785) 4.170 4.902 ( 0.889 -1.803 -3.210) 3.787 4.945 ( 0.737 -3.686 -3.767) 5.322 4.991 ( 1.999 -0.339 -0.004) 2.028 5.025 ( -0.825 -3.480 -3.907) 5.297 5.121 ( 1.257 -0.687 -3.336) 3.631 5.170 ( -2.924 3.492 -0.499) 4.582 5.202 ( 1.972 -0.060 -0.981) 2.204 5.264 ( -0.313 -0.809 0.751) 1.148 5.278 ( 2.173 -3.910 0.957) 4.574 5.369 ( 2.312 1.878 1.061) 3.162 5.408 ( 3.271 1.416 4.310) 5.593 5.520 ( 0.518 -0.251 11.090) 11.105 5.614 ( -0.165 3.144 3.832) 4.959 5.639 ( 0.111 6.379 0.563) 6.405 5.741 ( 9.692 -3.264 1.460) 10.331 5.807 ( 5.964 -2.855 -2.137) 6.949 5.836 ( -3.054 4.331 -2.415) 5.824 5.916 ( 2.119 6.754 -0.363) 7.087 6.021 ( -6.514 4.800 10.071) 12.919 6.133 ( -1.008 1.656 -7.221) 7.476 6.201 ( -3.779 3.000 0.636) 4.866 6.272 ( 0.756 3.838 -1.823) 4.315 6.305 ( -2.687 1.899 7.862) 8.523 6.381 ( 3.664 0.477 2.916) 4.707 6.403 ( 0.374 -1.928 2.317) 3.038 6.583 ( 1.472 1.466 3.421) 4.003 6.674 ( 5.221 -2.802 -5.029) 7.772 6.736 ( -1.183 -0.436 5.028) 5.184 6.836 ( 7.029 3.634 0.737) 7.947 6.860 ( 1.706 -3.385 9.550) 10.275 6.998 ( -5.852 7.065 -3.613) 9.860 7.234 ( -13.148 -4.593 1.428) 14.000 7.367 ( -6.228 -0.004 -3.877) 7.336 7.579 ( 1.729 -4.211 0.126) 4.554 7.654 ( -4.282 1.655 0.937) 4.685 7.710 ( 5.691 -4.738 -1.345) 7.526 7.772 ( 0.747 -1.013 -2.247) 2.576 7.890 ( 3.966 0.377 4.357) 5.904 7.964 ( 5.050 3.952 -4.907) 8.074 8.104 ( -2.212 2.375 -1.567) 3.604 8.191 ( -2.231 -2.036 -0.086) 3.022 8.460 ( 4.836 -2.324 -3.303) 6.301 8.653 ( -0.417 4.697 -2.104) 5.163 8.709 ( 0.627 -4.801 -1.227) 4.994 8.820 ( -0.055 -1.671 1.968) 2.583 8.869 ( -1.074 -4.835 2.618) 5.602 9.015 ( 0.986 2.777 -2.264) 3.716 9.085 ( 1.758 -9.805 -5.298) 11.283 9.094 ( -0.024 -4.092 -4.865) 6.357 9.354 ( -0.149 2.167 1.383) 2.575 9.645 ( -3.172 6.782 -8.573) 11.382 9.730 ( -0.348 2.425 -4.740) 5.336 9.803 ( 2.409 6.698 -3.603) 7.978 9.854 ( 0.686 7.255 0.984) 7.354 10.140 ( -1.410 1.756 2.017) 3.024 10.182 ( -1.084 -2.100 1.942) 3.059 10.283 ( 4.857 2.292 -2.810) 6.061 10.374 ( 0.706 -7.526 0.877) 7.610 10.541 ( 3.500 6.476 1.654) 7.545 10.728 ( -4.001 -0.549 -2.151) 4.575 10.801 ( -5.207 6.092 -0.675) 8.042 10.876 ( -1.647 -1.024 0.717) 2.068 10.930 ( -1.916 4.103 3.228) 5.561 10.933 ( 4.025 -5.112 10.038) 11.962 11.215 ( 2.765 4.962 1.492) 5.873 11.322 ( 0.358 3.509 -2.422) 4.279 11.395 ( -3.325 0.671 -1.172) 3.589 12.121 ( 1.726 -2.907 -1.023) 3.532 12.144 ( 5.187 -1.977 6.033) 8.198 12.270 ( -2.129 -2.942 0.539) 3.671 12.456 ( -5.197 6.215 -5.565) 9.829 12.659 ( -8.172 2.112 7.136) 11.053 12.803 ( 10.729 -7.176 -6.086) 14.271 12.893 ( -7.064 -8.359 1.944) 11.116 13.048 ( 0.249 -2.002 -2.496) 3.209 13.275 ( 4.570 2.689 4.138) 6.726 13.280 ( -1.987 -4.853 -5.420) 7.541 13.518 ( 2.554 4.362 1.333) 5.228 13.559 ( 2.871 -7.978 -0.538) 8.495 13.767 ( -2.625 0.783 1.206) 2.993 13.916 ( -9.327 -14.105 12.776) 21.194 14.232 ( 6.424 -10.344 -1.100) 12.226 14.313 ( 4.981 -9.944 0.420) 11.130 14.500 ( 6.331 -4.598 2.887) 8.340 14.912 ( -4.656 -6.528 -3.926) 8.928 15.341 ( -1.450 -10.816 -1.783) 11.057 15.415 ( -1.811 3.155 -0.540) 3.678 15.614 ( 2.627 4.146 4.669) 6.774 16.013 ( 2.760 20.734 -0.020) 20.917 16.195 ( 1.200 -13.153 -0.254) 13.210 16.476 ( 0.146 1.867 -2.368) 3.019 16.776 ( 2.443 10.093 -1.767) 10.534 17.120 ( -7.680 14.294 -12.706) 20.610 ======================= Grid point 42 (18/48) ======================= q-point: ( 0.40 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 17.530 9.220 4.947) 20.416 1.300 ( 9.176 6.760 6.165) 12.958 1.367 ( 17.720 11.775 7.241) 22.474 1.653 ( -7.105 2.225 -3.031) 8.038 1.698 ( -7.203 4.792 0.293) 8.657 1.799 ( -8.506 2.898 -5.817) 10.705 1.887 ( -1.292 5.644 -2.661) 6.373 1.988 ( -10.576 6.202 3.369) 12.714 2.094 ( 20.536 -1.346 2.696) 20.755 2.388 ( -6.057 -5.524 -1.883) 8.411 2.416 ( 1.091 -2.877 0.276) 3.090 2.516 ( 4.772 -0.149 -0.313) 4.784 2.525 ( -1.219 4.451 -1.888) 4.986 2.579 ( -3.068 -0.492 0.688) 3.182 2.705 ( -5.498 -4.270 2.097) 7.270 2.754 ( -8.277 -2.915 -6.565) 10.959 2.795 ( 2.397 3.974 3.198) 5.636 2.894 ( -5.651 0.767 2.512) 6.232 3.160 ( 3.319 3.939 -3.144) 6.034 3.169 ( 2.864 -0.644 -2.389) 3.785 3.272 ( 8.214 0.725 -0.983) 8.304 3.352 ( 1.168 0.518 -2.142) 2.494 3.387 ( -3.925 3.384 -1.459) 5.384 3.438 ( -7.115 -0.675 5.758) 9.178 3.547 ( 10.021 2.279 2.565) 10.592 3.677 ( -0.373 -5.235 -5.974) 7.952 3.760 ( -3.489 -3.756 -2.845) 5.863 3.807 ( 0.524 -1.224 -4.442) 4.637 3.907 ( 0.841 -1.043 -0.976) 1.658 3.978 ( -9.194 -0.059 0.008) 9.194 4.072 ( 0.132 2.843 -7.174) 7.718 4.119 ( -3.332 0.438 -5.524) 6.466 4.264 ( 2.355 -6.959 3.035) 7.949 4.331 ( -3.426 -0.843 1.291) 3.757 4.429 ( 5.483 1.973 3.934) 7.031 4.492 ( 2.448 5.061 2.910) 6.330 4.518 ( 0.753 4.984 1.854) 5.371 4.676 ( -6.346 0.084 -3.166) 7.092 4.941 ( 5.517 2.006 -0.845) 5.931 4.957 ( 3.275 0.029 -1.577) 3.635 4.995 ( 3.308 -6.364 -0.704) 7.207 5.011 ( 1.464 -2.348 -0.011) 2.767 5.035 ( 0.902 -1.929 -0.102) 2.132 5.106 ( -3.639 -2.952 -1.040) 4.800 5.136 ( 0.337 1.278 -1.890) 2.306 5.217 ( -4.380 0.211 -1.166) 4.538 5.244 ( -0.424 -0.756 0.535) 1.018 5.285 ( -0.612 2.786 2.316) 3.674 5.410 ( 1.444 2.016 6.196) 6.674 5.441 ( -0.389 0.326 6.983) 7.002 5.568 ( 5.778 1.501 2.783) 6.586 5.602 ( 0.896 3.631 6.087) 7.144 5.645 ( 1.297 6.876 -0.855) 7.050 5.734 ( -6.242 8.195 -1.658) 10.434 5.816 ( 0.283 2.084 0.334) 2.129 5.846 ( -5.505 5.968 5.642) 9.887 5.947 ( 5.288 -3.900 2.373) 6.985 6.035 ( 1.883 -0.258 2.457) 3.106 6.105 ( -3.162 1.237 5.855) 6.768 6.167 ( -2.060 2.038 5.474) 6.194 6.264 ( 3.341 0.933 -8.512) 9.191 6.347 ( 3.180 -0.963 -5.963) 6.826 6.389 ( 4.033 -1.196 -2.086) 4.695 6.479 ( 5.193 4.116 -1.520) 6.799 6.567 ( -3.352 6.003 -0.280) 6.881 6.648 ( -9.499 -2.398 1.358) 9.891 6.786 ( 4.794 -4.338 4.314) 7.773 6.865 ( -1.907 -3.277 8.153) 8.992 6.942 ( 2.886 1.769 0.090) 3.386 6.995 ( 3.887 5.942 2.676) 7.588 7.025 ( -2.664 0.188 2.221) 3.474 7.197 ( -10.589 0.146 -2.521) 10.886 7.585 ( -0.002 -2.980 -1.106) 3.179 7.600 ( -1.660 -2.453 -0.544) 3.012 7.814 ( 3.107 -2.310 -2.685) 4.711 7.825 ( 4.207 -5.127 -3.445) 7.473 7.937 ( 1.295 2.330 -0.110) 2.668 7.992 ( -2.259 1.739 -4.115) 5.006 8.078 ( 0.865 -0.310 0.340) 0.979 8.130 ( -3.578 -2.292 0.838) 4.331 8.572 ( 5.385 -2.776 -1.426) 6.223 8.636 ( -1.533 -1.191 -3.665) 4.147 8.734 ( 2.537 -7.456 0.200) 7.878 8.813 ( -4.445 -5.384 3.092) 7.636 8.860 ( 3.581 5.066 1.076) 6.296 8.946 ( -4.838 6.013 -1.207) 7.812 9.099 ( 2.229 -6.399 1.216) 6.884 9.142 ( -0.807 -7.165 0.394) 7.221 9.406 ( 6.192 1.786 -3.996) 7.583 9.548 ( -6.996 1.187 -7.000) 9.967 9.737 ( 1.419 10.256 -2.493) 10.650 9.776 ( -2.278 11.031 -2.314) 11.499 9.984 ( 9.097 0.875 -3.481) 9.780 10.116 ( -2.704 -3.139 -1.305) 4.344 10.173 ( 0.905 -2.386 3.330) 4.196 10.248 ( -6.422 -1.226 1.911) 6.812 10.470 ( 7.478 7.013 -1.102) 10.311 10.571 ( -1.385 5.760 -0.272) 5.930 10.667 ( -1.122 -1.101 -2.089) 2.614 10.698 ( -3.878 1.182 -2.166) 4.596 10.851 ( -0.340 -0.416 3.095) 3.142 10.875 ( -2.592 -0.708 3.649) 4.532 11.088 ( 8.670 -6.722 7.454) 13.263 11.213 ( -3.022 -6.546 5.694) 9.187 11.314 ( -0.853 8.437 -1.030) 8.542 11.328 ( -2.825 6.391 0.462) 7.003 12.169 ( 2.970 -2.214 -1.595) 4.033 12.224 ( -2.384 -2.358 -1.430) 3.646 12.285 ( 8.331 -3.743 7.013) 11.515 12.398 ( -1.778 1.298 1.203) 2.508 12.526 ( -3.858 6.807 6.286) 10.037 12.615 ( -12.268 2.307 10.502) 16.313 13.063 ( 12.222 -5.714 -5.702) 14.647 13.143 ( 4.853 -8.006 -7.053) 11.722 13.229 ( -3.110 -6.564 -7.045) 10.119 13.268 ( -5.952 -0.463 -3.368) 6.855 13.580 ( 3.403 4.233 2.485) 5.973 13.610 ( 1.606 -4.221 2.143) 4.999 13.721 ( -0.826 -1.572 1.842) 2.559 13.776 ( -5.372 -8.870 7.094) 12.564 14.336 ( 5.104 -8.193 0.696) 9.678 14.400 ( 0.415 -13.299 -1.944) 13.446 14.611 ( 7.312 0.280 -1.685) 7.509 14.778 ( -8.560 -2.669 -3.703) 9.701 15.345 ( 1.438 -8.023 -2.243) 8.453 15.379 ( -1.838 -4.082 -1.324) 4.669 15.723 ( 8.042 7.572 -1.971) 11.220 15.901 ( -9.369 12.404 -4.562) 16.201 16.321 ( 7.435 -7.783 3.381) 11.282 16.436 ( -4.181 -1.861 2.025) 5.004 16.852 ( 5.183 11.167 -3.484) 12.795 16.972 ( -7.073 12.583 -6.282) 15.742 ======================= Grid point 45 (19/48) ======================= q-point: ( 0.00 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 13.532 -0.425) 13.539 1.133 ( 0.000 15.422 5.048) 16.227 1.208 ( 0.000 20.604 3.056) 20.829 1.677 ( 0.000 0.721 1.996) 2.122 1.784 ( 0.000 1.074 -5.039) 5.152 1.835 ( 0.000 3.909 -5.493) 6.742 1.944 ( 0.000 16.053 6.796) 17.433 2.202 ( 0.000 -5.257 5.858) 7.871 2.244 ( 0.000 1.055 3.686) 3.834 2.290 ( 0.000 -0.174 -7.954) 7.956 2.377 ( 0.000 -2.006 4.552) 4.975 2.601 ( 0.000 -6.736 -15.963) 17.326 2.666 ( 0.000 -7.924 6.541) 10.275 2.728 ( 0.000 3.481 3.304) 4.799 2.760 ( 0.000 -7.448 3.545) 8.249 2.793 ( 0.000 -2.533 -2.499) 3.558 2.821 ( 0.000 7.886 -3.132) 8.485 2.898 ( 0.000 1.829 -7.417) 7.640 3.082 ( 0.000 3.981 -5.459) 6.757 3.179 ( 0.000 2.974 -1.670) 3.411 3.262 ( 0.000 0.089 -2.513) 2.514 3.348 ( 0.000 -7.194 9.828) 12.180 3.390 ( 0.000 -4.809 -0.384) 4.824 3.433 ( 0.000 -1.307 -6.714) 6.841 3.551 ( 0.000 1.227 6.811) 6.921 3.684 ( 0.000 11.166 -2.047) 11.352 3.747 ( 0.000 -3.614 -4.640) 5.881 3.761 ( 0.000 -3.307 13.603) 13.999 3.925 ( 0.000 -7.642 2.642) 8.085 3.931 ( 0.000 5.926 -3.039) 6.660 4.041 ( 0.000 1.489 -0.651) 1.625 4.043 ( 0.000 -0.818 6.904) 6.953 4.193 ( 0.000 8.730 -2.766) 9.157 4.473 ( 0.000 -2.449 3.440) 4.223 4.473 ( 0.000 -2.245 3.375) 4.054 4.516 ( 0.000 2.902 -5.159) 5.919 4.717 ( 0.000 -11.519 -0.815) 11.548 4.755 ( 0.000 -3.197 -7.522) 8.173 4.756 ( 0.000 -1.121 -13.602) 13.648 4.898 ( 0.000 -1.744 -12.133) 12.258 4.919 ( 0.000 4.434 1.295) 4.619 5.009 ( 0.000 0.479 -1.080) 1.181 5.044 ( 0.000 3.291 -5.697) 6.579 5.085 ( 0.000 -5.110 -1.780) 5.411 5.131 ( 0.000 5.783 -0.383) 5.796 5.232 ( 0.000 -2.572 1.473) 2.963 5.251 ( 0.000 1.805 2.109) 2.775 5.288 ( 0.000 2.823 -2.687) 3.898 5.429 ( 0.000 5.229 7.181) 8.883 5.445 ( 0.000 3.514 3.531) 4.981 5.497 ( 0.000 -1.739 7.488) 7.688 5.543 ( 0.000 13.245 2.960) 13.571 5.692 ( 0.000 0.706 5.939) 5.981 5.701 ( 0.000 -0.514 -2.933) 2.977 5.806 ( 0.000 3.317 5.123) 6.103 5.872 ( 0.000 2.445 -0.328) 2.467 5.982 ( 0.000 1.098 5.106) 5.223 6.152 ( 0.000 -1.868 3.709) 4.153 6.165 ( 0.000 -8.239 3.681) 9.024 6.208 ( 0.000 -2.136 -4.767) 5.224 6.320 ( 0.000 3.330 10.092) 10.627 6.322 ( 0.000 -1.244 9.691) 9.771 6.470 ( 0.000 6.635 -4.159) 7.831 6.529 ( 0.000 -4.155 -5.127) 6.599 6.603 ( 0.000 7.695 -0.105) 7.696 6.689 ( 0.000 9.389 3.089) 9.884 6.741 ( 0.000 -2.629 5.828) 6.394 6.794 ( 0.000 17.074 6.280) 18.193 6.874 ( 0.000 9.429 1.575) 9.560 7.118 ( 0.000 -3.388 -7.625) 8.344 7.260 ( 0.000 -9.568 7.182) 11.964 7.332 ( 0.000 -7.990 -2.566) 8.392 7.487 ( 0.000 3.117 -1.966) 3.685 7.598 ( 0.000 -0.593 -0.726) 0.937 7.731 ( 0.000 -2.070 0.474) 2.123 7.828 ( 0.000 5.966 5.204) 7.917 7.928 ( 0.000 5.278 2.291) 5.753 7.993 ( 0.000 1.864 -2.038) 2.761 8.128 ( 0.000 -1.575 -0.159) 1.583 8.202 ( 0.000 -3.398 -5.994) 6.890 8.341 ( 0.000 -18.350 3.345) 18.653 8.350 ( 0.000 -5.595 -4.602) 7.244 8.694 ( 0.000 -14.186 2.019) 14.329 8.758 ( 0.000 -7.106 -4.034) 8.171 8.785 ( 0.000 -0.825 -4.535) 4.610 8.862 ( 0.000 -5.534 -9.513) 11.006 9.116 ( 0.000 20.372 3.889) 20.740 9.206 ( 0.000 5.270 -5.266) 7.450 9.542 ( 0.000 12.117 -0.985) 12.157 9.631 ( 0.000 -4.958 -10.707) 11.799 9.818 ( 0.000 2.460 -0.219) 2.470 9.864 ( 0.000 2.535 -0.627) 2.612 9.975 ( 0.000 8.765 3.925) 9.604 10.105 ( 0.000 -8.129 -2.862) 8.619 10.228 ( 0.000 4.557 -2.173) 5.049 10.322 ( 0.000 5.581 2.705) 6.202 10.383 ( 0.000 10.465 2.859) 10.848 10.626 ( 0.000 4.100 -3.550) 5.424 10.736 ( 0.000 -7.108 8.405) 11.007 10.759 ( 0.000 -3.760 0.229) 3.767 10.786 ( 0.000 -6.632 1.077) 6.719 11.001 ( 0.000 13.360 5.356) 14.394 11.003 ( 0.000 -21.594 3.905) 21.944 11.308 ( 0.000 14.069 -1.640) 14.164 11.417 ( 0.000 13.648 -0.819) 13.673 11.559 ( 0.000 7.034 -12.964) 14.749 12.020 ( 0.000 -5.385 -0.558) 5.414 12.072 ( 0.000 -1.121 4.978) 5.103 12.218 ( 0.000 -4.884 1.283) 5.050 12.398 ( 0.000 -16.195 -5.933) 17.247 12.567 ( 0.000 -8.530 2.943) 9.023 12.596 ( 0.000 -13.566 -2.274) 13.756 12.836 ( 0.000 -2.868 -11.630) 11.979 12.980 ( 0.000 -8.601 -9.315) 12.678 13.252 ( 0.000 8.515 3.553) 9.227 13.280 ( 0.000 -0.353 6.204) 6.214 13.374 ( 0.000 -3.821 1.359) 4.056 13.523 ( 0.000 -0.385 0.624) 0.733 13.843 ( 0.000 -14.780 19.358) 24.355 13.854 ( 0.000 -5.668 8.293) 10.045 13.928 ( 0.000 9.841 -0.860) 9.879 14.052 ( 0.000 -0.162 1.867) 1.874 14.496 ( 0.000 -0.327 -0.614) 0.696 14.744 ( 0.000 -12.455 -2.090) 12.629 15.085 ( 0.000 -8.381 1.716) 8.555 15.485 ( 0.000 -2.582 -1.417) 2.946 15.669 ( 0.000 4.269 5.400) 6.884 16.050 ( 0.000 -3.364 0.627) 3.422 16.451 ( 0.000 20.791 -2.531) 20.944 16.615 ( 0.000 10.990 -5.304) 12.204 16.917 ( 0.000 5.943 -0.944) 6.017 17.295 ( 0.000 -2.979 -9.808) 10.251 ======================= Grid point 46 (20/48) ======================= q-point: ( 0.20 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 11.123 13.919 -1.465) 17.878 1.296 ( 9.266 16.920 3.995) 19.700 1.357 ( 17.543 14.871 4.587) 23.450 1.684 ( 1.324 -0.245 2.887) 3.186 1.786 ( 0.764 3.073 -5.451) 6.304 1.877 ( 2.631 2.737 -5.668) 6.823 1.952 ( -0.149 8.090 0.886) 8.140 2.143 ( -5.202 4.536 -1.116) 6.991 2.235 ( -6.376 -0.869 3.320) 7.241 2.245 ( 1.895 -6.553 3.131) 7.506 2.423 ( 2.672 1.269 0.742) 3.050 2.508 ( -7.533 -4.261 -6.767) 10.986 2.629 ( -3.008 -10.463 -2.336) 11.135 2.666 ( -3.487 6.253 2.042) 7.445 2.739 ( -3.274 0.796 3.118) 4.591 2.772 ( -3.984 -0.425 2.742) 4.855 2.820 ( 0.357 -4.732 -2.672) 5.446 2.977 ( -4.090 -2.325 -3.193) 5.686 3.040 ( 4.227 5.796 -4.032) 8.229 3.194 ( -2.037 -2.502 -0.294) 3.240 3.241 ( 3.483 6.754 -1.781) 7.805 3.282 ( -0.440 3.728 -2.833) 4.703 3.359 ( 1.380 -9.034 2.302) 9.424 3.481 ( 1.613 -2.882 -1.785) 3.754 3.552 ( -0.801 1.003 4.426) 4.608 3.668 ( -1.728 4.102 -2.483) 5.097 3.747 ( 1.335 1.881 -0.864) 2.464 3.801 ( -0.449 -1.980 6.343) 6.660 3.924 ( 4.953 -3.895 -1.410) 6.457 3.986 ( -2.441 2.108 -0.840) 3.333 4.020 ( 1.920 -4.572 6.031) 7.808 4.183 ( -0.103 6.563 -2.163) 6.911 4.225 ( 11.025 2.314 3.057) 11.673 4.329 ( -9.454 -0.997 -1.964) 9.707 4.448 ( -4.428 -2.224 1.591) 5.205 4.532 ( 1.250 4.310 -2.766) 5.271 4.623 ( -4.765 -4.878 -7.173) 9.897 4.780 ( 2.878 -7.040 -2.953) 8.158 4.809 ( 1.431 0.159 -5.514) 5.699 4.877 ( -3.729 0.131 -3.437) 5.073 4.945 ( 2.272 3.345 -4.965) 6.403 4.991 ( -0.588 1.144 -4.757) 4.928 5.050 ( 2.105 3.669 -2.200) 4.768 5.083 ( -0.631 -2.470 -3.168) 4.067 5.192 ( 3.554 -0.593 -2.106) 4.174 5.217 ( -0.502 3.198 -0.743) 3.322 5.256 ( -3.073 4.086 0.979) 5.206 5.287 ( 4.928 1.321 1.766) 5.399 5.420 ( 0.111 2.121 4.401) 4.887 5.460 ( 2.503 3.725 3.134) 5.474 5.536 ( 1.896 1.892 12.073) 12.366 5.639 ( -1.702 -1.137 2.379) 3.138 5.695 ( 7.004 1.532 1.059) 7.247 5.759 ( 7.447 1.573 0.866) 7.661 5.792 ( -0.829 3.568 0.943) 3.782 5.908 ( 1.216 3.372 1.979) 4.095 5.975 ( 0.419 -1.023 7.816) 7.893 6.044 ( -7.835 -2.872 3.655) 9.110 6.163 ( -2.165 -3.477 0.860) 4.185 6.189 ( -0.778 -0.512 -3.850) 3.961 6.286 ( -1.559 -1.429 8.068) 8.340 6.404 ( 2.856 1.917 7.835) 8.557 6.456 ( -1.413 7.120 -0.918) 7.316 6.541 ( 2.012 -3.771 -0.507) 4.304 6.607 ( -5.325 11.516 -0.317) 12.692 6.666 ( 6.231 5.236 -2.100) 8.405 6.757 ( 0.665 7.147 1.204) 7.278 6.811 ( 3.698 2.707 9.155) 10.238 6.941 ( 0.724 6.565 -0.439) 6.620 7.081 ( -1.070 3.305 -3.877) 5.206 7.126 ( -7.424 -5.560 4.097) 10.140 7.402 ( -6.218 3.600 -1.361) 7.313 7.462 ( 5.162 -8.324 -0.668) 9.818 7.601 ( 1.143 -4.003 -1.546) 4.441 7.738 ( -5.585 4.925 0.671) 7.476 7.749 ( -0.639 0.842 0.152) 1.068 7.954 ( 2.529 3.441 2.157) 4.784 7.991 ( -0.700 -2.040 0.407) 2.195 8.101 ( -2.904 -2.182 0.589) 3.679 8.184 ( -1.160 -0.042 -4.006) 4.171 8.341 ( 0.858 -18.729 1.623) 18.819 8.395 ( 3.849 -6.551 -2.281) 7.933 8.639 ( -6.790 -9.541 -2.937) 12.073 8.669 ( -2.851 -13.383 0.817) 13.707 8.890 ( 3.998 -2.523 -5.672) 7.383 8.963 ( 10.191 -1.196 -7.182) 12.525 9.136 ( 1.853 19.293 3.684) 19.728 9.184 ( -2.441 5.573 -4.899) 7.811 9.505 ( -2.567 10.117 -1.250) 10.512 9.617 ( -2.281 -1.876 -8.948) 9.423 9.828 ( 1.696 1.913 -0.730) 2.658 9.912 ( 4.099 2.205 0.365) 4.668 9.999 ( 2.661 10.724 2.701) 11.375 10.106 ( -0.603 -7.289 -1.525) 7.471 10.162 ( -3.724 2.594 -0.844) 4.616 10.309 ( -4.667 8.659 2.803) 10.228 10.452 ( 9.298 7.699 0.387) 12.078 10.648 ( 0.414 0.727 -1.506) 1.723 10.687 ( -5.009 -3.995 0.625) 6.438 10.740 ( -0.054 -9.817 5.184) 11.102 10.839 ( 4.065 -4.755 2.384) 6.695 10.946 ( -4.670 -7.203 3.098) 9.126 10.992 ( -2.963 3.687 3.695) 6.002 11.156 ( -6.967 10.553 -0.045) 12.646 11.503 ( 1.575 9.733 -1.221) 9.935 11.540 ( -1.117 10.066 -5.951) 11.747 12.044 ( 2.547 -4.697 -1.198) 5.476 12.108 ( 3.365 -2.243 4.395) 5.972 12.198 ( -0.790 -4.012 -0.940) 4.196 12.430 ( -4.712 -9.758 -2.350) 11.088 12.541 ( 5.936 -16.037 0.156) 17.101 12.662 ( 4.117 -9.819 2.122) 10.857 12.812 ( -3.238 -0.359 -7.013) 7.733 12.914 ( -3.147 -6.122 -5.703) 8.939 13.162 ( -5.809 -4.486 -0.673) 7.371 13.320 ( -3.012 -2.255 1.149) 3.934 13.438 ( 7.295 1.111 0.512) 7.397 13.597 ( 5.727 2.425 0.584) 6.246 13.715 ( -2.333 -5.295 11.718) 13.069 13.850 ( -4.298 7.719 4.464) 9.899 14.044 ( 7.167 -9.592 2.902) 12.320 14.109 ( 4.178 -1.669 1.133) 4.640 14.519 ( 2.326 -2.438 -0.364) 3.389 14.724 ( -2.045 -12.341 -2.149) 12.692 15.133 ( 4.535 -5.433 0.793) 7.121 15.488 ( -1.485 1.241 -3.140) 3.689 15.643 ( -0.244 0.074 6.038) 6.043 16.016 ( -4.045 -7.186 0.133) 8.247 16.447 ( 0.591 21.940 -1.676) 22.011 16.610 ( -0.968 10.815 -2.764) 11.205 16.937 ( 2.181 5.403 -1.836) 6.109 17.232 ( -5.697 -1.079 -8.019) 9.896 ======================= Grid point 47 (21/48) ======================= q-point: ( 0.40 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 11.920 11.944 -0.303) 16.878 1.480 ( 5.507 11.058 2.636) 12.632 1.652 ( 9.195 15.664 6.374) 19.250 1.722 ( 3.459 5.569 -3.892) 7.624 1.821 ( -2.942 6.658 1.918) 7.527 1.877 ( -6.907 4.535 -8.508) 11.860 1.920 ( 8.112 -1.953 -4.626) 9.540 2.097 ( -6.678 4.698 4.340) 9.247 2.133 ( 4.611 3.235 -2.073) 6.002 2.290 ( -8.913 -3.869 -3.469) 10.317 2.319 ( 3.109 -7.174 4.276) 8.912 2.460 ( -2.687 -3.504 -2.092) 4.886 2.529 ( -6.658 -2.654 2.559) 7.611 2.570 ( -4.716 -5.143 -2.359) 7.366 2.634 ( -1.506 -1.828 -1.490) 2.799 2.680 ( -4.868 -3.753 3.419) 7.034 2.878 ( 2.848 1.699 -0.493) 3.353 2.907 ( -0.586 2.122 4.506) 5.015 3.133 ( 4.704 -5.000 -1.915) 7.127 3.196 ( -1.389 -8.340 -3.298) 9.075 3.286 ( 1.642 4.348 -1.981) 5.053 3.305 ( 0.487 5.391 -2.991) 6.184 3.481 ( 9.047 4.027 3.355) 10.455 3.526 ( 4.872 5.370 -1.367) 7.378 3.606 ( 4.481 3.431 1.289) 5.789 3.640 ( -2.528 -0.197 -0.928) 2.700 3.737 ( -0.836 2.144 -1.113) 2.556 3.772 ( -0.201 -1.434 3.510) 3.797 3.843 ( -6.832 -3.805 2.686) 8.269 3.984 ( -12.948 2.606 -4.640) 13.999 4.072 ( 7.828 -4.109 -0.676) 8.867 4.138 ( 0.611 -1.925 -1.284) 2.393 4.192 ( -0.993 4.009 -4.787) 6.322 4.265 ( -7.712 -4.221 -0.649) 8.815 4.478 ( 6.230 0.747 2.796) 6.869 4.560 ( -2.204 -0.094 -1.196) 2.509 4.605 ( 5.383 4.556 -1.173) 7.149 4.729 ( -6.365 4.708 -1.308) 8.024 4.844 ( 2.188 -6.790 -4.034) 8.195 4.865 ( 0.912 -6.346 -4.462) 7.811 4.983 ( 1.582 1.108 -5.031) 5.388 4.994 ( 0.426 0.654 -6.050) 6.100 5.075 ( 0.363 0.968 -1.360) 1.709 5.096 ( 0.015 5.981 -2.061) 6.326 5.167 ( -0.056 1.012 -2.060) 2.296 5.213 ( -2.069 0.965 -2.155) 3.139 5.290 ( 4.857 2.643 1.911) 5.850 5.359 ( 0.506 2.764 2.913) 4.048 5.454 ( 2.374 1.031 5.636) 6.202 5.486 ( -1.105 5.171 6.647) 8.494 5.579 ( 3.602 1.485 2.661) 4.718 5.633 ( -0.184 0.072 4.441) 4.446 5.767 ( 2.718 2.007 6.284) 7.135 5.795 ( 1.701 -1.075 0.130) 2.017 5.855 ( -4.976 -0.561 -1.080) 5.123 5.862 ( -5.541 1.837 8.114) 9.996 5.937 ( 5.882 1.426 3.242) 6.866 6.055 ( 0.358 2.504 0.001) 2.529 6.091 ( 0.264 -3.537 7.003) 7.850 6.192 ( -2.345 -0.541 4.642) 5.229 6.259 ( 0.696 -1.755 -6.468) 6.738 6.334 ( -5.562 -0.505 -3.979) 6.857 6.511 ( 5.792 2.207 3.660) 7.198 6.569 ( 1.987 4.580 3.528) 6.113 6.624 ( 2.100 1.898 3.663) 4.629 6.691 ( -5.364 8.121 -1.689) 9.878 6.761 ( 2.168 4.646 4.677) 6.940 6.858 ( -2.595 7.973 2.449) 8.735 6.978 ( 5.009 3.901 -2.152) 6.704 7.009 ( 0.028 -1.829 -0.572) 1.916 7.118 ( 1.759 5.364 1.410) 5.819 7.237 ( -9.471 4.212 -0.108) 10.366 7.520 ( 2.495 -3.212 -3.083) 5.104 7.604 ( -5.837 2.017 -2.632) 6.713 7.680 ( 5.050 -6.785 0.464) 8.471 7.748 ( -1.387 -3.510 -0.511) 3.808 7.976 ( 0.394 -3.810 0.032) 3.830 8.012 ( -0.714 1.942 -0.695) 2.183 8.048 ( 2.072 -1.550 1.855) 3.184 8.139 ( -4.119 3.601 -1.491) 5.671 8.387 ( 4.042 -20.748 2.423) 21.277 8.490 ( 4.774 -7.598 -2.111) 9.218 8.498 ( -6.285 -16.286 1.479) 17.519 8.593 ( -4.732 -8.215 -0.807) 9.515 8.994 ( 6.080 2.303 -3.663) 7.462 9.101 ( -3.172 3.442 -4.754) 6.672 9.140 ( 3.851 4.628 -4.558) 7.552 9.172 ( 1.075 13.780 1.002) 13.858 9.479 ( 0.746 8.003 -1.941) 8.269 9.542 ( -4.711 2.110 -6.429) 8.245 9.892 ( 4.514 1.842 -1.048) 4.987 9.964 ( -0.767 3.387 0.814) 3.567 10.057 ( 0.252 2.643 0.116) 2.658 10.077 ( -0.598 6.472 -2.788) 7.072 10.132 ( 3.145 -0.689 4.478) 5.515 10.228 ( -4.234 3.712 3.080) 6.418 10.603 ( -1.069 -1.143 0.833) 1.773 10.617 ( -2.286 -2.018 0.206) 3.056 10.663 ( 9.190 7.446 -1.258) 11.895 10.746 ( 1.271 -10.558 2.946) 11.035 10.808 ( -5.262 -8.304 0.722) 9.857 10.853 ( -6.734 7.503 -0.984) 10.130 10.993 ( 4.788 -0.704 5.564) 7.374 11.077 ( -3.348 -0.141 4.092) 5.289 11.495 ( -0.660 9.576 -1.327) 9.690 11.507 ( -1.930 9.684 -0.409) 9.883 12.108 ( 3.477 -4.606 -1.887) 6.071 12.154 ( -0.502 -5.169 -1.209) 5.333 12.220 ( 4.027 -2.182 3.485) 5.755 12.319 ( -5.657 -6.789 3.780) 9.611 12.618 ( 2.952 -3.991 -0.187) 4.968 12.703 ( -5.727 -0.238 -1.909) 6.042 12.807 ( 8.270 -14.200 0.934) 16.459 12.907 ( -0.834 -10.604 -0.079) 10.637 13.082 ( -0.069 -6.796 -6.311) 9.275 13.187 ( -8.327 -6.545 -2.290) 10.836 13.592 ( 7.430 3.313 0.220) 8.138 13.695 ( 3.051 2.558 2.324) 4.610 13.702 ( -1.410 5.036 4.543) 6.927 13.762 ( -3.769 5.893 3.000) 7.612 14.149 ( 3.473 -9.089 -0.601) 9.749 14.170 ( 1.371 -6.312 -0.710) 6.498 14.584 ( 4.116 -6.376 -0.735) 7.625 14.666 ( -3.852 -10.432 -1.776) 11.261 15.245 ( 6.728 0.278 -1.248) 6.848 15.387 ( -7.367 4.638 -2.539) 9.068 15.724 ( 7.480 -6.552 2.935) 10.368 15.889 ( -8.430 -8.262 0.246) 11.806 16.492 ( 3.675 17.902 0.250) 18.277 16.566 ( -3.432 12.908 0.050) 13.357 17.003 ( 4.525 3.828 -3.412) 6.839 17.109 ( -6.243 1.691 -5.308) 8.367 ======================= Grid point 50 (22/48) ======================= q-point: ( 0.00 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 7.172 -2.753) 7.682 1.286 ( 0.000 1.327 -0.426) 1.394 1.599 ( 0.000 16.273 -6.167) 17.403 1.725 ( 0.000 0.708 -11.250) 11.272 1.875 ( 0.000 0.749 0.361) 0.832 1.876 ( 0.000 6.858 1.936) 7.126 2.022 ( 0.000 -0.910 -7.211) 7.268 2.058 ( 0.000 -8.276 3.957) 9.173 2.298 ( 0.000 3.948 3.104) 5.022 2.303 ( 0.000 2.269 -5.053) 5.539 2.395 ( 0.000 0.018 2.688) 2.688 2.435 ( 0.000 -7.265 -1.844) 7.495 2.538 ( 0.000 -5.416 -1.275) 5.564 2.547 ( 0.000 -8.781 0.094) 8.782 2.795 ( 0.000 2.783 5.664) 6.311 2.860 ( 0.000 -0.406 10.661) 10.669 2.981 ( 0.000 6.442 -2.144) 6.790 2.987 ( 0.000 5.963 0.071) 5.964 3.119 ( 0.000 -3.134 -5.296) 6.154 3.136 ( 0.000 0.068 -6.235) 6.235 3.145 ( 0.000 -1.335 -1.427) 1.954 3.263 ( 0.000 -5.836 -2.910) 6.521 3.424 ( 0.000 8.178 -0.828) 8.220 3.523 ( 0.000 1.223 -3.640) 3.840 3.601 ( 0.000 3.294 10.560) 11.062 3.679 ( 0.000 -4.512 12.512) 13.301 3.689 ( 0.000 0.157 -4.395) 4.398 3.773 ( 0.000 -3.357 -2.755) 4.343 3.883 ( 0.000 4.657 6.421) 7.932 3.994 ( 0.000 -2.499 7.200) 7.622 4.047 ( 0.000 3.971 -1.449) 4.228 4.085 ( 0.000 1.152 -2.609) 2.852 4.303 ( 0.000 2.378 -1.646) 2.892 4.391 ( 0.000 -7.199 0.357) 7.207 4.415 ( 0.000 -2.120 1.246) 2.459 4.428 ( 0.000 -5.523 0.552) 5.551 4.627 ( 0.000 1.915 -10.124) 10.304 4.683 ( 0.000 -3.627 -8.781) 9.500 4.777 ( 0.000 2.892 -17.933) 18.164 4.845 ( 0.000 -3.491 -19.078) 19.395 5.035 ( 0.000 6.431 2.102) 6.765 5.065 ( 0.000 4.531 0.810) 4.603 5.069 ( 0.000 2.845 -0.220) 2.853 5.104 ( 0.000 1.198 0.141) 1.206 5.142 ( 0.000 -2.506 0.044) 2.506 5.169 ( 0.000 -3.937 0.743) 4.006 5.303 ( 0.000 0.788 -0.192) 0.811 5.363 ( 0.000 0.128 1.793) 1.798 5.506 ( 0.000 2.082 3.004) 3.655 5.511 ( 0.000 2.645 4.030) 4.820 5.562 ( 0.000 9.743 2.274) 10.005 5.669 ( 0.000 -2.141 3.881) 4.432 5.678 ( 0.000 2.744 -0.927) 2.896 5.754 ( 0.000 4.225 8.004) 9.051 5.863 ( 0.000 -5.313 9.123) 10.557 5.882 ( 0.000 -7.178 9.836) 12.177 5.928 ( 0.000 7.570 0.806) 7.613 6.075 ( 0.000 0.136 2.543) 2.546 6.118 ( 0.000 -1.307 -2.623) 2.931 6.124 ( 0.000 -5.937 -5.410) 8.033 6.335 ( 0.000 1.098 0.085) 1.101 6.362 ( 0.000 -0.947 5.263) 5.347 6.447 ( 0.000 -1.433 8.978) 9.092 6.465 ( 0.000 -2.723 13.320) 13.596 6.645 ( 0.000 2.878 -6.420) 7.036 6.701 ( 0.000 -1.269 5.868) 6.004 6.943 ( 0.000 7.958 0.280) 7.963 6.998 ( 0.000 -4.087 -3.678) 5.498 7.103 ( 0.000 -2.648 8.418) 8.825 7.153 ( 0.000 22.085 -0.661) 22.094 7.165 ( 0.000 -3.957 0.572) 3.998 7.394 ( 0.000 23.526 0.526) 23.531 7.546 ( 0.000 1.783 -1.628) 2.414 7.585 ( 0.000 -1.328 -1.423) 1.946 7.691 ( 0.000 -25.448 2.642) 25.585 7.699 ( 0.000 -2.382 1.856) 3.020 7.947 ( 0.000 0.914 0.241) 0.946 8.013 ( 0.000 2.599 0.759) 2.708 8.091 ( 0.000 1.539 -0.660) 1.675 8.103 ( 0.000 5.561 -0.814) 5.620 8.155 ( 0.000 -14.227 -0.407) 14.233 8.352 ( 0.000 -16.426 -5.735) 17.399 8.380 ( 0.000 8.391 -3.267) 9.005 8.566 ( 0.000 -10.314 -2.319) 10.572 8.786 ( 0.000 0.647 -4.534) 4.580 8.807 ( 0.000 -1.538 -5.266) 5.486 9.320 ( 0.000 6.077 -6.472) 8.878 9.411 ( 0.000 -0.242 -3.865) 3.873 9.679 ( 0.000 12.352 -3.645) 12.879 9.713 ( 0.000 5.309 1.291) 5.464 9.842 ( 0.000 0.135 3.324) 3.327 9.864 ( 0.000 -1.251 -0.918) 1.552 10.048 ( 0.000 7.196 -2.600) 7.652 10.240 ( 0.000 14.031 -0.925) 14.061 10.358 ( 0.000 8.344 0.215) 8.347 10.451 ( 0.000 5.065 2.918) 5.845 10.497 ( 0.000 -23.782 4.100) 24.133 10.550 ( 0.000 5.291 1.642) 5.540 10.551 ( 0.000 -7.073 4.726) 8.506 10.589 ( 0.000 -10.713 -4.717) 11.705 10.664 ( 0.000 -7.032 3.017) 7.652 10.675 ( 0.000 -3.639 3.568) 5.097 11.360 ( 0.000 19.921 1.258) 19.961 11.535 ( 0.000 5.608 -2.263) 6.047 11.634 ( 0.000 8.516 -0.543) 8.533 11.705 ( 0.000 7.184 -8.466) 11.103 11.874 ( 0.000 -9.583 0.044) 9.583 11.965 ( 0.000 -12.027 -1.612) 12.135 12.138 ( 0.000 -1.181 -0.018) 1.181 12.175 ( 0.000 -2.328 1.880) 2.992 12.306 ( 0.000 -11.119 6.645) 12.953 12.308 ( 0.000 -12.750 -0.629) 12.765 12.826 ( 0.000 1.169 -15.593) 15.636 12.867 ( 0.000 -3.348 -13.833) 14.232 13.285 ( 0.000 0.681 3.383) 3.451 13.307 ( 0.000 -1.661 0.924) 1.901 13.508 ( 0.000 12.958 3.823) 13.510 13.545 ( 0.000 2.854 7.531) 8.054 13.644 ( 0.000 -6.541 15.519) 16.841 13.725 ( 0.000 -7.915 6.569) 10.286 14.111 ( 0.000 6.490 1.143) 6.590 14.187 ( 0.000 13.910 -1.620) 14.004 14.322 ( 0.000 -12.539 -0.487) 12.549 14.480 ( 0.000 -14.302 -1.732) 14.406 15.131 ( 0.000 9.539 1.998) 9.746 15.341 ( 0.000 -10.448 0.250) 10.451 15.789 ( 0.000 7.316 1.203) 7.414 15.935 ( 0.000 -7.212 0.167) 7.214 16.819 ( 0.000 8.417 -3.978) 9.309 16.823 ( 0.000 13.918 -5.094) 14.821 16.976 ( 0.000 2.011 0.319) 2.036 17.155 ( 0.000 -10.679 -4.029) 11.414 ======================= Grid point 51 (23/48) ======================= q-point: ( 0.20 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 12.321 8.761 -3.153) 15.443 1.460 ( 15.624 -1.405 -0.461) 15.693 1.641 ( 3.857 14.591 -5.558) 16.083 1.756 ( 3.115 2.081 -10.124) 10.794 1.884 ( 1.192 4.714 -0.319) 4.873 1.908 ( 1.861 2.246 0.891) 3.050 2.003 ( -0.666 0.766 -7.043) 7.116 2.081 ( 2.152 -9.284 3.348) 10.101 2.218 ( -4.673 4.154 -1.232) 6.373 2.277 ( -5.025 4.129 3.950) 7.609 2.358 ( -1.017 -6.923 -2.388) 7.393 2.431 ( -4.235 -8.654 2.628) 9.986 2.488 ( -1.174 4.222 -0.710) 4.440 2.632 ( 0.662 -9.334 -2.348) 9.647 2.734 ( -6.691 1.330 4.997) 8.456 2.770 ( -5.974 -1.113 4.834) 7.765 2.860 ( -4.676 4.800 -0.654) 6.733 2.939 ( -4.207 -2.851 -0.365) 5.095 3.114 ( -1.393 -1.970 -3.708) 4.424 3.124 ( -5.957 -0.840 0.950) 6.091 3.266 ( 9.230 5.101 2.752) 10.899 3.341 ( 7.936 0.410 -1.543) 8.095 3.422 ( 1.366 7.036 -2.529) 7.600 3.469 ( 0.650 0.771 -5.025) 5.125 3.584 ( -0.884 1.215 4.026) 4.297 3.637 ( -1.440 -4.541 -1.543) 5.008 3.750 ( -0.689 -0.485 3.071) 3.185 3.795 ( 1.777 -2.867 4.551) 5.664 3.865 ( 1.610 2.930 6.111) 6.966 3.940 ( -3.092 -1.665 8.958) 9.622 4.139 ( 6.058 7.770 -4.884) 10.997 4.231 ( 8.469 0.121 -1.201) 8.554 4.284 ( -1.411 1.084 -2.171) 2.807 4.307 ( -7.628 -1.011 -4.083) 8.711 4.362 ( -4.619 -3.607 -0.404) 5.875 4.433 ( 0.932 -10.189 -0.926) 10.274 4.634 ( 0.418 3.141 -7.184) 7.852 4.678 ( 2.253 -2.146 -7.614) 8.225 4.814 ( 1.410 0.502 -11.588) 11.684 4.850 ( -0.801 -2.765 -14.604) 14.885 5.034 ( 0.069 5.949 1.790) 6.213 5.064 ( 0.018 4.234 -1.373) 4.451 5.075 ( 0.420 2.847 -1.871) 3.432 5.119 ( -0.026 -0.594 -0.686) 0.908 5.172 ( 5.175 0.193 -0.582) 5.211 5.229 ( 2.455 -4.818 -0.830) 5.470 5.285 ( -1.265 4.048 -1.676) 4.560 5.370 ( 1.017 0.098 0.716) 1.248 5.472 ( -1.144 4.316 4.578) 6.395 5.538 ( -0.116 -2.170 2.401) 3.238 5.592 ( 2.704 7.890 2.691) 8.764 5.652 ( 1.444 5.058 5.198) 7.395 5.656 ( -0.998 -2.619 2.812) 3.970 5.803 ( 0.059 -3.147 7.111) 7.776 5.828 ( 1.589 -1.968 8.865) 9.219 5.889 ( 1.950 -5.927 8.317) 10.398 5.975 ( 0.530 6.368 2.292) 6.789 6.023 ( -4.689 3.441 -1.074) 5.915 6.112 ( 1.223 -2.811 2.445) 3.921 6.168 ( 2.725 -4.095 -6.674) 8.291 6.248 ( -3.695 1.425 4.443) 5.952 6.347 ( -0.210 -6.132 1.447) 6.304 6.466 ( -3.626 0.274 10.184) 10.813 6.526 ( 1.155 -4.428 7.580) 8.854 6.678 ( 2.975 6.146 -0.866) 6.883 6.725 ( 5.827 1.999 1.312) 6.299 6.933 ( -2.638 1.529 -3.665) 4.767 6.961 ( -2.439 -2.724 1.448) 3.932 7.069 ( 0.113 6.251 4.788) 7.875 7.171 ( 1.681 21.795 -0.342) 21.863 7.226 ( 5.358 -3.779 0.234) 6.561 7.389 ( -1.895 11.442 0.386) 11.604 7.491 ( -7.512 0.592 -1.272) 7.642 7.571 ( 2.799 6.158 -1.405) 6.908 7.697 ( 0.832 -20.826 2.039) 20.942 7.759 ( 3.963 -4.441 1.452) 6.126 7.869 ( -7.284 4.204 -0.757) 8.444 7.948 ( -4.441 1.934 2.392) 5.403 8.046 ( -4.284 -4.073 0.950) 5.987 8.147 ( 0.178 -8.594 -1.041) 8.658 8.166 ( 1.979 -4.483 -2.768) 5.628 8.321 ( -3.258 1.562 -4.260) 5.586 8.349 ( -1.037 -5.940 -2.669) 6.594 8.489 ( -4.489 -9.133 0.613) 10.195 8.888 ( 7.979 1.612 -5.441) 9.791 8.928 ( 9.909 -2.170 -6.131) 11.852 9.294 ( -2.789 5.686 -5.940) 8.683 9.379 ( -3.234 -0.806 -4.656) 5.726 9.695 ( 1.391 13.065 -1.275) 13.201 9.729 ( 1.312 8.120 -0.093) 8.226 9.840 ( 0.272 -0.004 2.629) 2.643 9.892 ( 2.107 -3.174 -0.097) 3.811 10.058 ( 1.325 6.544 -1.185) 6.781 10.212 ( -2.320 10.396 2.145) 10.865 10.319 ( -1.886 10.343 -1.122) 10.573 10.458 ( -3.707 -16.632 4.530) 17.632 10.473 ( -3.317 -1.360 -0.057) 3.586 10.487 ( -2.544 -12.041 2.985) 12.663 10.572 ( -1.063 -5.072 0.133) 5.184 10.600 ( 6.501 2.908 2.055) 7.412 10.662 ( -0.327 -1.315 3.558) 3.807 10.771 ( 7.523 -6.369 3.156) 10.350 11.284 ( -6.966 14.216 -1.108) 15.870 11.358 ( -11.727 6.522 -1.672) 13.523 11.681 ( 1.461 9.155 -1.115) 9.338 11.734 ( 0.085 10.206 -4.566) 11.181 11.909 ( 3.241 -10.880 -2.228) 11.569 11.980 ( 0.950 -11.852 -1.914) 12.043 12.164 ( 2.659 1.148 1.202) 3.135 12.214 ( 2.698 -6.650 -0.200) 7.180 12.270 ( -0.099 -7.254 3.216) 7.936 12.359 ( 2.535 -14.389 2.474) 14.818 12.829 ( 0.073 1.793 -10.864) 11.011 12.866 ( 0.842 -1.798 -11.233) 11.407 13.161 ( -9.995 3.062 4.653) 11.442 13.236 ( -8.001 -4.342 2.879) 9.548 13.518 ( 6.077 4.403 1.626) 7.678 13.603 ( 4.128 -3.994 3.934) 6.962 13.722 ( 7.972 6.865 8.790) 13.709 13.850 ( 5.067 -5.558 9.122) 11.823 14.093 ( -0.722 9.343 -2.123) 9.608 14.195 ( 0.127 10.957 -1.111) 11.014 14.329 ( 0.961 -13.614 -1.069) 13.689 14.460 ( -1.972 -14.147 -2.118) 14.440 15.191 ( 5.974 8.722 2.088) 10.776 15.383 ( 4.378 -9.540 0.344) 10.503 15.725 ( -6.293 6.957 1.265) 9.466 15.872 ( -6.181 -7.677 0.213) 9.858 16.820 ( 0.012 11.316 -3.382) 11.811 16.825 ( 0.248 12.639 -3.501) 13.118 16.976 ( 0.191 -0.312 -0.496) 0.616 17.121 ( -3.189 -9.608 -3.711) 10.782 ======================= Grid point 52 (24/48) ======================= q-point: ( 0.40 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 10.666 10.870 -4.086) 15.768 1.703 ( 0.745 10.724 -4.613) 11.698 1.769 ( 11.781 -2.846 -2.086) 12.298 1.852 ( 4.090 -3.476 -11.141) 12.366 1.911 ( 2.202 5.133 0.241) 5.591 1.946 ( 6.856 6.950 1.186) 9.835 1.996 ( -2.465 7.295 -3.866) 8.616 2.122 ( -0.627 -5.685 -3.393) 6.651 2.173 ( 2.824 -2.142 1.625) 3.899 2.179 ( -5.685 2.222 2.554) 6.617 2.258 ( -7.349 -0.481 -4.663) 8.717 2.342 ( -5.861 -8.420 -0.950) 10.303 2.464 ( 1.566 1.460 4.431) 4.921 2.534 ( -3.388 -3.031 4.860) 6.655 2.579 ( -8.786 -0.631 5.041) 10.149 2.620 ( -8.308 -3.236 5.998) 10.745 2.883 ( 4.569 0.894 -0.874) 4.737 2.919 ( 0.781 -1.621 0.134) 1.804 3.015 ( -3.260 -3.621 1.960) 5.251 3.041 ( -5.028 -6.392 -0.594) 8.154 3.390 ( 4.818 6.209 -0.826) 7.903 3.456 ( -0.265 7.074 -3.168) 7.755 3.498 ( 5.088 -2.209 1.053) 5.646 3.589 ( -2.956 -3.812 0.072) 4.824 3.612 ( 9.764 1.028 -4.049) 10.620 3.637 ( 7.210 -0.222 0.769) 7.254 3.720 ( -1.632 0.705 3.437) 3.869 3.770 ( -3.846 -1.567 4.627) 6.218 3.903 ( 1.600 6.641 3.336) 7.602 3.973 ( 7.320 -3.242 2.084) 8.273 4.080 ( -12.334 3.141 -5.905) 14.031 4.152 ( -9.622 -4.400 -3.340) 11.095 4.233 ( 3.088 10.239 -3.046) 11.119 4.278 ( -2.094 5.349 -0.830) 5.804 4.423 ( 5.056 -6.840 -0.350) 8.513 4.457 ( 0.663 -9.694 -0.195) 9.718 4.688 ( 4.782 3.188 -4.876) 7.537 4.739 ( 3.690 -2.954 -5.557) 7.295 4.793 ( -4.644 1.272 -7.141) 8.613 4.807 ( -2.133 -0.687 -7.495) 7.823 5.030 ( -0.143 4.319 -2.012) 4.767 5.041 ( -1.194 3.594 -3.411) 5.097 5.096 ( 1.261 -0.524 -2.418) 2.777 5.127 ( -1.270 -4.173 -0.089) 4.363 5.229 ( 1.302 7.060 -4.360) 8.400 5.244 ( 1.292 2.638 -4.239) 5.158 5.316 ( 3.203 -1.684 -2.334) 4.306 5.379 ( -1.720 -3.108 -0.442) 3.579 5.483 ( 2.000 4.241 4.221) 6.309 5.512 ( -0.589 0.021 1.741) 1.838 5.618 ( -0.924 -1.116 5.430) 5.620 5.637 ( -1.839 -3.394 3.273) 5.061 5.740 ( 5.768 4.333 7.243) 10.223 5.811 ( 1.457 1.843 9.218) 9.512 5.869 ( 0.021 -1.100 10.073) 10.133 5.898 ( -1.002 0.935 7.663) 7.784 5.983 ( 1.260 1.931 -0.942) 2.490 6.014 ( 5.703 -0.384 0.532) 5.741 6.092 ( -3.658 0.184 1.379) 3.913 6.156 ( -5.192 -4.480 3.423) 7.664 6.248 ( 3.842 3.790 -2.829) 6.093 6.348 ( -5.812 2.699 3.501) 7.302 6.385 ( 3.115 -7.972 1.750) 8.736 6.472 ( -4.599 -8.194 4.438) 10.392 6.770 ( 5.151 7.149 1.920) 9.018 6.821 ( 1.264 4.482 -0.039) 4.657 6.888 ( -0.282 0.586 2.584) 2.665 6.915 ( -2.151 -4.129 1.525) 4.899 7.146 ( 6.033 10.622 1.121) 12.267 7.207 ( 1.675 16.861 -2.636) 17.148 7.262 ( -2.721 7.577 -1.772) 8.244 7.332 ( -7.655 3.511 -2.452) 8.771 7.436 ( 9.066 -0.619 -1.088) 9.152 7.606 ( -3.132 6.849 -1.459) 7.671 7.703 ( -2.050 -3.288 1.015) 4.006 7.714 ( -2.920 0.419 0.611) 3.013 7.850 ( 4.712 -8.055 1.981) 9.540 7.901 ( 1.004 -7.306 2.147) 7.680 7.952 ( -4.495 -6.594 1.783) 8.177 8.034 ( -8.824 -22.706 -2.593) 24.497 8.227 ( 2.876 5.867 -1.071) 6.621 8.274 ( -2.098 5.273 0.772) 5.728 8.366 ( 2.858 -6.997 -2.023) 7.824 8.426 ( -2.820 -8.878 -0.109) 9.316 9.056 ( 8.605 3.899 -5.149) 10.759 9.123 ( 9.120 -2.204 -6.597) 11.469 9.208 ( -5.826 4.428 -5.121) 8.931 9.285 ( -6.466 -2.094 -5.793) 8.931 9.721 ( 1.171 13.585 0.468) 13.643 9.740 ( -0.543 13.562 0.023) 13.573 9.873 ( 2.899 -3.078 1.080) 4.364 9.914 ( -0.522 -5.026 0.215) 5.058 10.106 ( 3.227 6.701 2.470) 7.837 10.164 ( -2.635 7.793 3.664) 9.005 10.310 ( 1.272 7.521 0.506) 7.644 10.367 ( -4.245 1.739 2.878) 5.416 10.433 ( -0.002 -13.600 3.570) 14.060 10.456 ( -1.310 -10.732 3.052) 11.234 10.535 ( -1.450 -7.257 0.820) 7.445 10.567 ( -4.288 -7.476 1.567) 8.760 10.841 ( 12.916 7.964 0.041) 15.174 10.938 ( 9.322 -1.535 1.760) 9.611 11.098 ( -11.464 7.674 -1.586) 13.886 11.145 ( -10.336 2.740 -0.137) 10.694 11.696 ( 0.484 11.719 -1.083) 11.779 11.713 ( -1.285 12.643 -2.320) 12.919 11.957 ( 1.715 -12.086 -2.463) 12.454 11.983 ( -0.814 -12.891 -1.978) 13.067 12.217 ( 1.993 2.200 1.919) 3.535 12.233 ( 0.123 -0.442 1.297) 1.376 12.332 ( 4.373 -12.802 -0.735) 13.548 12.385 ( -0.531 -15.247 0.145) 15.257 12.848 ( 2.849 5.001 -3.064) 6.520 12.909 ( 1.554 1.641 -2.959) 3.723 12.989 ( -4.884 -0.943 -0.661) 5.018 13.066 ( -7.970 -5.714 -0.003) 9.807 13.673 ( 8.279 4.388 2.078) 9.597 13.735 ( 6.816 -0.601 2.005) 7.130 13.792 ( -1.068 4.209 5.313) 6.862 13.855 ( -3.716 -0.602 6.188) 7.244 14.120 ( 3.088 8.109 -3.736) 9.447 14.176 ( -2.105 7.858 -1.988) 8.374 14.363 ( 2.346 -14.099 -2.088) 14.445 14.413 ( -2.639 -14.040 -2.599) 14.521 15.347 ( 9.447 8.363 1.290) 12.682 15.490 ( 2.324 0.169 -1.128) 2.589 15.584 ( -3.665 -1.710 3.155) 5.129 15.714 ( -9.358 -9.025 0.986) 13.038 16.822 ( 0.223 13.252 -1.784) 13.374 16.827 ( -0.172 13.120 -1.470) 13.204 16.994 ( 1.938 -4.516 -2.200) 5.385 17.050 ( -3.595 -7.385 -3.143) 8.794 ======================= Grid point 70 (25/48) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.000 0.000 21.506) 21.506 1.044 ( 0.000 0.000 12.108) 12.108 1.102 ( 0.000 0.000 24.821) 24.821 1.579 ( 0.000 0.000 -5.584) 5.584 1.634 ( 0.000 0.000 -6.323) 6.323 1.651 ( 0.000 0.000 34.042) 34.042 1.884 ( 0.000 0.000 1.175) 1.175 2.017 ( 0.000 0.000 -8.512) 8.512 2.149 ( 0.000 0.000 -9.813) 9.813 2.321 ( 0.000 0.000 -7.851) 7.851 2.456 ( 0.000 0.000 -6.999) 6.999 2.603 ( 0.000 0.000 -11.638) 11.638 2.623 ( 0.000 0.000 -6.474) 6.474 2.638 ( 0.000 0.000 -0.784) 0.784 2.655 ( 0.000 0.000 0.481) 0.481 2.856 ( 0.000 0.000 -5.251) 5.251 2.874 ( 0.000 0.000 -2.023) 2.023 2.899 ( 0.000 0.000 1.781) 1.781 2.980 ( 0.000 0.000 1.094) 1.094 3.089 ( 0.000 0.000 4.609) 4.609 3.178 ( 0.000 0.000 -0.532) 0.532 3.369 ( 0.000 0.000 -4.850) 4.850 3.408 ( 0.000 0.000 -9.723) 9.723 3.483 ( 0.000 0.000 7.978) 7.978 3.564 ( 0.000 0.000 -14.465) 14.465 3.588 ( 0.000 0.000 -1.133) 1.133 3.626 ( 0.000 0.000 -6.345) 6.345 3.710 ( 0.000 0.000 5.863) 5.863 4.002 ( 0.000 0.000 -10.503) 10.503 4.079 ( 0.000 0.000 4.775) 4.775 4.149 ( 0.000 0.000 16.252) 16.252 4.223 ( 0.000 0.000 7.668) 7.668 4.360 ( 0.000 0.000 2.565) 2.565 4.420 ( 0.000 0.000 -3.255) 3.255 4.573 ( 0.000 0.000 -11.970) 11.970 4.573 ( 0.000 0.000 -0.354) 0.354 4.610 ( 0.000 0.000 6.580) 6.580 4.622 ( 0.000 0.000 7.062) 7.062 4.843 ( 0.000 0.000 -8.712) 8.712 4.883 ( 0.000 0.000 2.989) 2.989 4.927 ( 0.000 0.000 -3.113) 3.113 5.022 ( 0.000 0.000 -8.733) 8.733 5.068 ( 0.000 0.000 -4.958) 4.958 5.081 ( 0.000 0.000 3.619) 3.619 5.094 ( 0.000 0.000 -5.503) 5.503 5.152 ( 0.000 0.000 0.723) 0.723 5.287 ( 0.000 0.000 1.248) 1.248 5.325 ( 0.000 0.000 -2.616) 2.616 5.367 ( 0.000 0.000 3.418) 3.418 5.412 ( 0.000 0.000 0.485) 0.485 5.475 ( 0.000 0.000 6.616) 6.616 5.617 ( 0.000 0.000 3.229) 3.229 5.640 ( 0.000 0.000 -2.760) 2.760 5.663 ( 0.000 0.000 -2.376) 2.376 5.783 ( 0.000 0.000 -8.067) 8.067 5.847 ( 0.000 0.000 13.836) 13.836 5.894 ( 0.000 0.000 -0.372) 0.372 5.966 ( 0.000 0.000 2.615) 2.615 6.081 ( 0.000 0.000 4.304) 4.304 6.114 ( 0.000 0.000 -4.568) 4.568 6.312 ( 0.000 0.000 -5.756) 5.756 6.354 ( 0.000 0.000 -5.678) 5.678 6.442 ( 0.000 0.000 5.120) 5.120 6.508 ( 0.000 0.000 -8.963) 8.963 6.567 ( 0.000 0.000 9.696) 9.696 6.581 ( 0.000 0.000 1.107) 1.107 6.735 ( 0.000 0.000 8.833) 8.833 6.904 ( 0.000 0.000 16.156) 16.156 6.926 ( 0.000 0.000 6.383) 6.383 7.157 ( 0.000 0.000 11.686) 11.686 7.374 ( 0.000 0.000 0.281) 0.281 7.444 ( 0.000 0.000 -2.707) 2.707 7.621 ( 0.000 0.000 -2.182) 2.182 7.669 ( 0.000 0.000 2.359) 2.359 7.695 ( 0.000 0.000 -6.613) 6.613 7.801 ( 0.000 0.000 8.135) 8.135 7.840 ( 0.000 0.000 6.185) 6.185 7.970 ( 0.000 0.000 -7.588) 7.588 7.983 ( 0.000 0.000 7.792) 7.792 8.262 ( 0.000 0.000 2.729) 2.729 8.291 ( 0.000 0.000 -8.124) 8.124 8.557 ( 0.000 0.000 2.712) 2.712 8.767 ( 0.000 0.000 -4.078) 4.078 8.802 ( 0.000 0.000 -2.550) 2.550 8.830 ( 0.000 0.000 -1.533) 1.533 8.888 ( 0.000 0.000 -8.040) 8.040 9.128 ( 0.000 0.000 -2.611) 2.611 9.233 ( 0.000 0.000 -1.341) 1.341 9.248 ( 0.000 0.000 -4.891) 4.891 9.423 ( 0.000 0.000 -0.490) 0.490 9.515 ( 0.000 0.000 -10.721) 10.721 9.590 ( 0.000 0.000 -9.617) 9.617 9.886 ( 0.000 0.000 9.587) 9.587 10.125 ( 0.000 0.000 0.802) 0.802 10.207 ( 0.000 0.000 3.262) 3.262 10.309 ( 0.000 0.000 6.009) 6.009 10.496 ( 0.000 0.000 -5.597) 5.597 10.559 ( 0.000 0.000 5.682) 5.682 10.679 ( 0.000 0.000 -4.536) 4.536 10.811 ( 0.000 0.000 -4.694) 4.694 10.869 ( 0.000 0.000 1.811) 1.811 10.970 ( 0.000 0.000 7.460) 7.460 10.998 ( 0.000 0.000 4.236) 4.236 11.185 ( 0.000 0.000 -5.839) 5.839 11.186 ( 0.000 0.000 11.767) 11.767 11.539 ( 0.000 0.000 0.858) 0.858 12.147 ( 0.000 0.000 1.339) 1.339 12.226 ( 0.000 0.000 6.942) 6.942 12.348 ( 0.000 0.000 -1.470) 1.470 12.422 ( 0.000 0.000 4.096) 4.096 12.561 ( 0.000 0.000 -8.062) 8.062 12.608 ( 0.000 0.000 -12.518) 12.518 12.989 ( 0.000 0.000 9.705) 9.705 13.196 ( 0.000 0.000 -5.634) 5.634 13.258 ( 0.000 0.000 3.337) 3.337 13.301 ( 0.000 0.000 -3.750) 3.750 13.475 ( 0.000 0.000 -1.776) 1.776 13.592 ( 0.000 0.000 -1.116) 1.116 13.961 ( 0.000 0.000 13.668) 13.668 14.299 ( 0.000 0.000 2.426) 2.426 14.303 ( 0.000 0.000 2.244) 2.244 14.445 ( 0.000 0.000 3.951) 3.951 14.591 ( 0.000 0.000 -5.431) 5.431 14.873 ( 0.000 0.000 -12.122) 12.122 15.388 ( 0.000 0.000 3.378) 3.378 15.571 ( 0.000 0.000 1.453) 1.453 15.575 ( 0.000 0.000 -2.468) 2.468 15.772 ( 0.000 0.000 0.492) 0.492 16.238 ( 0.000 0.000 -0.598) 0.598 16.471 ( 0.000 0.000 -10.491) 10.491 16.623 ( 0.000 0.000 0.126) 0.126 16.633 ( 0.000 0.000 -0.185) 0.185 ======================= Grid point 71 (26/48) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 6.093 0.000 19.417) 20.350 1.176 ( 7.548 0.000 18.843) 20.298 1.180 ( 10.760 0.000 10.995) 15.384 1.570 ( -0.586 0.000 -7.253) 7.276 1.659 ( 2.391 0.000 -4.246) 4.873 1.837 ( 4.992 0.000 15.488) 16.272 1.926 ( 9.445 0.000 5.956) 11.166 2.030 ( -8.110 0.000 1.331) 8.218 2.108 ( 7.012 0.000 -8.206) 10.793 2.292 ( -13.780 0.000 -2.177) 13.951 2.365 ( 5.398 0.000 -8.390) 9.976 2.533 ( -6.027 0.000 -3.133) 6.793 2.592 ( -4.844 0.000 1.001) 4.946 2.633 ( -5.041 0.000 -10.436) 11.589 2.677 ( 4.256 0.000 -3.967) 5.818 2.682 ( -8.709 0.000 -1.818) 8.897 2.908 ( 4.873 0.000 -4.488) 6.625 2.955 ( -1.583 0.000 -2.078) 2.613 2.971 ( -1.848 0.000 3.444) 3.908 3.079 ( 3.001 0.000 -3.215) 4.398 3.192 ( -1.796 0.000 -4.617) 4.954 3.353 ( -1.416 0.000 -1.917) 2.383 3.452 ( -9.366 0.000 -4.571) 10.422 3.457 ( 5.952 0.000 -1.229) 6.078 3.503 ( 2.538 0.000 4.128) 4.845 3.599 ( -4.516 0.000 -4.774) 6.571 3.622 ( 2.667 0.000 -6.808) 7.312 3.645 ( -0.243 0.000 -2.054) 2.069 3.912 ( -3.487 0.000 -3.091) 4.660 4.191 ( 9.977 0.000 4.007) 10.751 4.191 ( -3.133 0.000 8.460) 9.022 4.238 ( -13.533 0.000 -6.763) 15.129 4.368 ( 0.434 0.000 4.877) 4.896 4.392 ( -12.824 0.000 6.013) 14.164 4.432 ( 15.644 0.000 11.022) 19.137 4.530 ( -2.676 0.000 3.013) 4.030 4.707 ( 2.514 0.000 -0.044) 2.514 4.738 ( -7.786 0.000 5.157) 9.339 4.797 ( -2.747 0.000 -1.168) 2.985 4.828 ( 3.999 0.000 -2.527) 4.730 4.940 ( 2.414 0.000 -2.127) 3.218 4.943 ( 1.820 0.000 -5.275) 5.580 5.035 ( 2.016 0.000 -4.753) 5.163 5.059 ( -1.862 0.000 0.632) 1.966 5.172 ( 2.276 0.000 2.431) 3.330 5.173 ( 5.029 0.000 -4.173) 6.535 5.299 ( -2.248 0.000 0.563) 2.318 5.327 ( 4.231 0.000 0.517) 4.263 5.394 ( 4.382 0.000 0.302) 4.393 5.490 ( 4.263 0.000 -0.549) 4.298 5.504 ( 2.126 0.000 1.024) 2.359 5.568 ( -4.811 0.000 1.372) 5.003 5.625 ( -1.433 0.000 -0.041) 1.434 5.687 ( 5.339 0.000 -12.034) 13.165 5.757 ( -6.855 0.000 8.396) 10.839 5.874 ( -6.959 0.000 2.727) 7.474 5.894 ( -0.151 0.000 -7.991) 7.992 5.995 ( 8.369 0.000 7.772) 11.421 6.078 ( 4.532 0.000 5.758) 7.328 6.142 ( 2.742 0.000 -5.081) 5.774 6.199 ( -8.620 0.000 -7.192) 11.226 6.352 ( -0.451 0.000 -3.548) 3.576 6.417 ( -2.260 0.000 5.423) 5.875 6.528 ( -3.909 0.000 10.317) 11.033 6.560 ( 3.874 0.000 0.112) 3.876 6.731 ( 8.456 0.000 -5.664) 10.177 6.823 ( 7.041 0.000 6.252) 9.416 6.906 ( 0.983 0.000 15.635) 15.666 6.957 ( 2.544 0.000 6.655) 7.125 7.118 ( -4.607 0.000 9.831) 10.857 7.238 ( -11.951 0.000 -1.461) 12.040 7.359 ( -6.358 0.000 2.502) 6.833 7.610 ( -0.957 0.000 -2.182) 2.383 7.653 ( -2.199 0.000 -2.914) 3.651 7.699 ( 1.863 0.000 -2.240) 2.913 7.802 ( -0.292 0.000 3.790) 3.802 7.873 ( 3.053 0.000 0.911) 3.186 7.946 ( -2.926 0.000 -7.107) 7.686 8.002 ( 1.443 0.000 2.238) 2.662 8.213 ( -2.171 0.000 -1.067) 2.419 8.423 ( 7.984 0.000 -2.343) 8.320 8.568 ( 1.694 0.000 1.401) 2.199 8.700 ( -3.716 0.000 -1.232) 3.915 8.762 ( -1.139 0.000 -3.524) 3.704 8.877 ( 3.721 0.000 -0.970) 3.846 9.024 ( 7.151 0.000 -0.789) 7.195 9.100 ( -1.265 0.000 -7.546) 7.651 9.254 ( 3.257 0.000 0.774) 3.347 9.290 ( 2.464 0.000 -5.602) 6.120 9.419 ( -0.013 0.000 -0.109) 0.110 9.575 ( -1.596 0.000 -9.512) 9.645 9.611 ( 8.777 0.000 -9.300) 12.788 9.803 ( -7.860 0.000 9.613) 12.418 10.167 ( 2.971 0.000 -1.178) 3.196 10.218 ( 1.130 0.000 3.977) 4.135 10.300 ( -0.743 0.000 5.588) 5.637 10.519 ( -6.787 0.000 2.575) 7.259 10.535 ( 3.434 0.000 -5.606) 6.574 10.588 ( -8.337 0.000 -0.872) 8.383 10.674 ( -0.572 0.000 -4.591) 4.627 10.971 ( -0.354 0.000 5.726) 5.737 11.023 ( 1.448 0.000 6.098) 6.267 11.048 ( 7.664 0.000 -0.673) 7.694 11.198 ( 0.782 0.000 -4.248) 4.320 11.199 ( 2.465 0.000 10.197) 10.491 11.513 ( -2.716 0.000 1.055) 2.913 12.140 ( 0.173 0.000 -0.103) 0.201 12.286 ( -1.886 0.000 -0.805) 2.050 12.339 ( 0.833 0.000 1.392) 1.622 12.349 ( 4.585 0.000 8.773) 9.899 12.669 ( 7.996 0.000 -7.461) 10.936 12.806 ( 13.566 0.000 -9.256) 16.423 12.856 ( -9.163 0.000 8.752) 12.671 13.149 ( -6.988 0.000 -0.271) 6.993 13.224 ( -5.401 0.000 -3.581) 6.480 13.272 ( -1.509 0.000 -1.344) 2.021 13.509 ( 3.355 0.000 0.740) 3.436 13.641 ( 5.013 0.000 -1.083) 5.129 13.881 ( -6.715 0.000 11.091) 12.966 14.311 ( -11.931 0.000 6.121) 13.409 14.334 ( 3.780 0.000 3.335) 5.041 14.376 ( 6.107 0.000 0.953) 6.181 14.586 ( -0.941 0.000 -3.577) 3.698 14.812 ( -5.290 0.000 -11.641) 12.786 15.402 ( 1.446 0.000 2.653) 3.021 15.429 ( -5.845 0.000 -0.490) 5.866 15.555 ( -1.989 0.000 -2.065) 2.867 15.730 ( -6.594 0.000 -3.467) 7.450 16.396 ( 10.477 0.000 -2.568) 10.787 16.513 ( 3.491 0.000 -7.299) 8.091 16.624 ( 0.105 0.000 0.104) 0.147 16.632 ( -0.091 0.000 -0.148) 0.174 ======================= Grid point 72 (27/48) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 16.844 0.000 11.903) 20.625 1.378 ( 11.770 0.000 5.628) 13.047 1.407 ( 8.887 0.000 9.495) 13.005 1.540 ( -3.782 0.000 -5.923) 7.027 1.702 ( -11.244 0.000 5.203) 12.390 1.730 ( 5.673 0.000 -1.042) 5.768 1.776 ( -11.655 0.000 2.451) 11.910 1.938 ( -15.727 0.000 0.041) 15.727 2.310 ( 17.361 0.000 5.530) 18.221 2.317 ( 9.180 0.000 -1.298) 9.271 2.419 ( -0.775 0.000 -3.932) 4.008 2.478 ( -7.046 0.000 -0.272) 7.052 2.481 ( -5.705 0.000 -6.606) 8.729 2.527 ( 6.654 0.000 -3.524) 7.530 2.590 ( -5.330 0.000 -7.929) 9.554 2.774 ( -13.219 0.000 -2.484) 13.450 2.775 ( 5.735 0.000 -1.944) 6.055 2.887 ( -5.091 0.000 -1.062) 5.200 3.028 ( 6.021 0.000 -6.218) 8.656 3.127 ( -4.172 0.000 -6.489) 7.715 3.228 ( 6.231 0.000 -6.641) 9.106 3.301 ( -3.114 0.000 2.509) 3.999 3.365 ( 5.502 0.000 5.513) 7.789 3.547 ( -4.194 0.000 2.247) 4.758 3.573 ( 3.445 0.000 -1.807) 3.890 3.582 ( 3.932 0.000 -0.498) 3.964 3.699 ( 7.836 0.000 -7.217) 10.653 3.705 ( 4.591 0.000 -4.340) 6.318 3.820 ( -5.819 0.000 -2.547) 6.352 3.947 ( -15.232 0.000 -5.039) 16.044 4.051 ( -6.878 0.000 5.969) 9.107 4.143 ( -11.115 0.000 3.690) 11.712 4.356 ( 3.652 0.000 3.417) 5.001 4.396 ( 0.401 0.000 3.443) 3.466 4.498 ( 0.738 0.000 6.014) 6.059 4.524 ( 6.003 0.000 6.681) 8.982 4.582 ( -5.807 0.000 5.593) 8.063 4.672 ( -5.706 0.000 2.716) 6.319 4.952 ( 10.730 0.000 1.766) 10.874 4.976 ( 4.516 0.000 0.188) 4.520 4.988 ( 2.327 0.000 -5.701) 6.157 5.026 ( -1.603 0.000 -3.091) 3.482 5.049 ( 6.014 0.000 -2.291) 6.436 5.067 ( 2.542 0.000 -1.395) 2.899 5.215 ( -0.985 0.000 1.299) 1.630 5.251 ( 6.374 0.000 3.294) 7.175 5.259 ( -2.981 0.000 0.694) 3.061 5.405 ( -5.127 0.000 -3.679) 6.310 5.450 ( 3.197 0.000 1.952) 3.746 5.467 ( 2.900 0.000 6.465) 7.085 5.511 ( -0.605 0.000 2.424) 2.499 5.576 ( -4.492 0.000 3.634) 5.778 5.652 ( 8.148 0.000 -8.128) 11.509 5.652 ( -1.376 0.000 4.592) 4.794 5.713 ( -7.031 0.000 2.507) 7.465 5.774 ( -2.064 0.000 -8.516) 8.763 5.856 ( 3.698 0.000 -9.737) 10.416 6.014 ( -9.778 0.000 -9.204) 13.428 6.207 ( 4.711 0.000 1.606) 4.977 6.215 ( 5.129 0.000 -8.523) 9.947 6.221 ( 12.110 0.000 7.250) 14.114 6.331 ( -0.435 0.000 3.881) 3.905 6.369 ( -3.031 0.000 7.053) 7.677 6.421 ( -6.777 0.000 10.007) 12.085 6.593 ( 1.818 0.000 6.512) 6.761 6.769 ( -13.644 0.000 4.598) 14.398 6.886 ( 6.779 0.000 -5.883) 8.976 6.945 ( 4.682 0.000 5.580) 7.284 6.990 ( 0.088 0.000 6.444) 6.444 7.021 ( -4.977 0.000 0.586) 5.011 7.134 ( 2.456 0.000 7.414) 7.810 7.231 ( -6.234 0.000 9.264) 11.166 7.597 ( 0.044 0.000 -2.822) 2.822 7.615 ( -1.549 0.000 -2.548) 2.982 7.760 ( 4.267 0.000 -3.680) 5.635 7.817 ( 2.435 0.000 -0.931) 2.607 7.859 ( -5.439 0.000 -5.857) 7.993 7.879 ( -2.645 0.000 -2.861) 3.896 8.059 ( 4.407 0.000 -2.009) 4.843 8.150 ( -4.376 0.000 -2.027) 4.823 8.558 ( 6.066 0.000 -1.055) 6.157 8.629 ( 4.193 0.000 -0.813) 4.271 8.651 ( -3.073 0.000 1.170) 3.288 8.712 ( -3.828 0.000 -2.618) 4.637 8.961 ( 4.519 0.000 0.487) 4.546 9.035 ( -2.846 0.000 -0.190) 2.853 9.183 ( 6.297 0.000 -5.016) 8.051 9.282 ( -3.412 0.000 -4.758) 5.855 9.379 ( 9.321 0.000 5.468) 10.806 9.453 ( 3.528 0.000 -4.029) 5.356 9.526 ( -3.391 0.000 -8.052) 8.737 9.591 ( -11.433 0.000 9.169) 14.655 9.844 ( 13.040 0.000 -8.368) 15.494 10.104 ( -11.564 0.000 -6.858) 13.445 10.249 ( 1.828 0.000 4.638) 4.986 10.281 ( -1.325 0.000 5.014) 5.186 10.424 ( 2.688 0.000 2.200) 3.474 10.509 ( -3.964 0.000 0.424) 3.986 10.605 ( 3.284 0.000 -5.180) 6.133 10.653 ( -1.676 0.000 -4.594) 4.890 10.971 ( 0.838 0.000 7.143) 7.192 11.007 ( -2.337 0.000 7.852) 8.192 11.150 ( 3.381 0.000 -0.902) 3.499 11.195 ( -1.287 0.000 -2.095) 2.459 11.302 ( 7.008 0.000 5.305) 8.790 11.431 ( -5.679 0.000 2.278) 6.119 12.159 ( 1.677 0.000 -2.322) 2.865 12.207 ( -3.380 0.000 -3.512) 4.875 12.414 ( 6.931 0.000 5.928) 9.120 12.567 ( 14.558 0.000 12.848) 19.417 12.592 ( -10.567 0.000 8.767) 13.731 12.878 ( -15.783 0.000 10.778) 19.112 12.937 ( 12.097 0.000 -9.022) 15.091 13.044 ( 7.757 0.000 -7.311) 10.659 13.153 ( -3.676 0.000 -6.396) 7.377 13.159 ( -9.566 0.000 -7.167) 11.953 13.602 ( 6.025 0.000 3.151) 6.799 13.724 ( -4.762 0.000 6.456) 8.022 13.810 ( 8.094 0.000 0.577) 8.114 14.044 ( -13.819 0.000 5.412) 14.841 14.436 ( 6.019 0.000 3.199) 6.816 14.528 ( 8.576 0.000 -4.715) 9.786 14.539 ( -4.030 0.000 0.246) 4.037 14.688 ( -7.460 0.000 -8.984) 11.677 15.422 ( 4.391 0.000 -6.192) 7.591 15.444 ( 2.810 0.000 0.899) 2.950 15.504 ( -3.107 0.000 -0.886) 3.231 15.563 ( -9.074 0.000 -7.530) 11.791 16.538 ( 4.100 0.000 -1.670) 4.428 16.566 ( 1.068 0.000 -3.338) 3.505 16.627 ( 0.165 0.000 0.038) 0.169 16.630 ( -0.157 0.000 -0.058) 0.167 ======================= Grid point 75 (28/48) ======================= q-point: ( 0.00 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.000 0.254 11.983) 11.985 1.080 ( 0.000 7.672 15.451) 17.251 1.123 ( 0.000 4.412 20.198) 20.675 1.590 ( 0.000 2.720 -6.737) 7.265 1.643 ( 0.000 1.068 -6.353) 6.442 1.826 ( 0.000 -5.712 1.637) 5.942 1.920 ( 0.000 17.410 19.561) 26.187 2.077 ( 0.000 4.794 -6.491) 8.070 2.206 ( 0.000 5.093 -7.493) 9.059 2.271 ( 0.000 0.482 -0.178) 0.514 2.442 ( 0.000 -2.623 -3.201) 4.139 2.451 ( 0.000 -8.810 -10.005) 13.331 2.612 ( 0.000 1.966 -8.841) 9.057 2.708 ( 0.000 4.567 -0.910) 4.656 2.737 ( 0.000 2.787 2.429) 3.697 2.763 ( 0.000 -5.290 -3.884) 6.563 2.893 ( 0.000 2.633 -3.802) 4.624 2.961 ( 0.000 -7.246 4.264) 8.408 3.001 ( 0.000 6.635 -1.121) 6.729 3.027 ( 0.000 0.588 0.771) 0.970 3.279 ( 0.000 -0.803 -3.219) 3.318 3.319 ( 0.000 -10.247 1.534) 10.362 3.370 ( 0.000 7.959 -2.546) 8.356 3.480 ( 0.000 3.331 -2.777) 4.337 3.574 ( 0.000 0.158 -13.341) 13.342 3.626 ( 0.000 2.160 -2.166) 3.059 3.658 ( 0.000 1.708 3.334) 3.746 3.699 ( 0.000 0.564 -1.126) 1.260 3.954 ( 0.000 -3.357 -7.512) 8.228 4.098 ( 0.000 -0.538 9.652) 9.667 4.132 ( 0.000 -4.721 7.172) 8.586 4.163 ( 0.000 2.293 10.205) 10.460 4.326 ( 0.000 -14.007 5.286) 14.971 4.421 ( 0.000 4.154 2.654) 4.929 4.472 ( 0.000 -5.209 -12.427) 13.475 4.525 ( 0.000 1.201 -0.686) 1.383 4.617 ( 0.000 -0.502 -0.553) 0.747 4.715 ( 0.000 -0.438 0.338) 0.553 4.780 ( 0.000 -4.029 -7.761) 8.744 4.875 ( 0.000 -0.113 1.393) 1.397 4.898 ( 0.000 -6.950 -5.440) 8.825 4.954 ( 0.000 1.745 1.590) 2.361 5.059 ( 0.000 -2.672 2.506) 3.664 5.060 ( 0.000 3.047 -6.505) 7.183 5.078 ( 0.000 -0.841 0.974) 1.287 5.202 ( 0.000 -0.868 -0.161) 0.883 5.310 ( 0.000 1.566 2.396) 2.862 5.335 ( 0.000 -3.299 1.600) 3.667 5.361 ( 0.000 6.200 -1.319) 6.339 5.481 ( 0.000 -6.024 1.585) 6.228 5.506 ( 0.000 2.568 10.009) 10.333 5.556 ( 0.000 9.847 0.491) 9.860 5.665 ( 0.000 2.545 1.774) 3.102 5.730 ( 0.000 5.805 -2.057) 6.158 5.772 ( 0.000 -0.417 -6.433) 6.447 5.875 ( 0.000 -0.274 2.886) 2.899 5.911 ( 0.000 0.889 8.635) 8.681 6.008 ( 0.000 11.090 -3.186) 11.539 6.113 ( 0.000 2.278 -5.585) 6.032 6.227 ( 0.000 11.153 2.620) 11.456 6.325 ( 0.000 -0.434 -1.422) 1.487 6.428 ( 0.000 0.764 8.301) 8.337 6.444 ( 0.000 -4.499 -9.487) 10.500 6.537 ( 0.000 -3.215 3.854) 5.018 6.540 ( 0.000 6.320 0.891) 6.382 6.591 ( 0.000 1.700 7.373) 7.567 6.779 ( 0.000 4.509 6.151) 7.626 6.876 ( 0.000 4.287 0.320) 4.298 7.014 ( 0.000 2.182 10.606) 10.829 7.082 ( 0.000 -6.960 10.063) 12.235 7.373 ( 0.000 0.304 -0.684) 0.749 7.383 ( 0.000 -6.118 -5.676) 8.346 7.586 ( 0.000 -7.062 4.102) 8.167 7.654 ( 0.000 -4.151 -0.300) 4.162 7.716 ( 0.000 1.924 -3.298) 3.818 7.735 ( 0.000 5.130 0.589) 5.163 7.898 ( 0.000 4.391 4.465) 6.262 7.963 ( 0.000 -0.457 7.742) 7.755 8.066 ( 0.000 4.721 -3.021) 5.605 8.229 ( 0.000 -3.051 2.488) 3.937 8.278 ( 0.000 -1.290 -7.936) 8.041 8.658 ( 0.000 7.041 -0.375) 7.051 8.675 ( 0.000 -4.594 -1.278) 4.768 8.811 ( 0.000 -7.092 -9.794) 12.092 8.877 ( 0.000 6.736 1.737) 6.957 8.932 ( 0.000 -18.167 2.178) 18.297 8.975 ( 0.000 9.494 -5.075) 10.765 9.014 ( 0.000 -10.492 -0.630) 10.511 9.343 ( 0.000 0.696 -4.380) 4.435 9.480 ( 0.000 -4.856 -15.225) 15.981 9.579 ( 0.000 16.388 -3.758) 16.813 9.658 ( 0.000 6.992 -4.870) 8.520 9.948 ( 0.000 3.021 4.243) 5.209 10.155 ( 0.000 0.690 -1.585) 1.729 10.238 ( 0.000 -0.149 3.961) 3.964 10.291 ( 0.000 3.261 5.943) 6.779 10.350 ( 0.000 -7.487 -0.649) 7.515 10.556 ( 0.000 0.106 2.024) 2.026 10.737 ( 0.000 5.063 -1.064) 5.173 10.892 ( 0.000 2.792 -2.074) 3.478 10.930 ( 0.000 1.095 5.452) 5.560 11.005 ( 0.000 4.871 0.642) 4.913 11.093 ( 0.000 6.934 4.065) 8.038 11.147 ( 0.000 1.951 7.509) 7.759 11.238 ( 0.000 4.345 -4.621) 6.343 11.431 ( 0.000 -10.084 1.502) 10.195 12.103 ( 0.000 -3.789 0.619) 3.840 12.210 ( 0.000 -1.573 5.970) 6.174 12.374 ( 0.000 -3.977 3.995) 5.636 12.425 ( 0.000 5.372 -3.233) 6.269 12.476 ( 0.000 -7.112 -8.329) 10.952 12.615 ( 0.000 -1.216 -8.580) 8.666 12.963 ( 0.000 -4.790 3.700) 6.053 13.105 ( 0.000 -12.116 -4.125) 12.799 13.206 ( 0.000 2.960 0.643) 3.029 13.393 ( 0.000 4.201 2.890) 5.099 13.484 ( 0.000 1.058 -0.809) 1.332 13.535 ( 0.000 -5.768 0.777) 5.820 13.886 ( 0.000 -5.311 6.910) 8.716 14.130 ( 0.000 -13.564 -1.296) 13.625 14.212 ( 0.000 -11.871 6.828) 13.695 14.426 ( 0.000 -12.201 2.375) 12.430 14.429 ( 0.000 5.748 2.908) 6.441 14.842 ( 0.000 -4.686 -7.987) 9.260 15.355 ( 0.000 -13.613 -0.383) 13.618 15.426 ( 0.000 2.264 -0.570) 2.335 15.829 ( 0.000 1.958 8.381) 8.607 15.902 ( 0.000 21.496 1.451) 21.545 16.204 ( 0.000 -2.548 -1.976) 3.224 16.310 ( 0.000 0.324 -7.699) 7.706 16.740 ( 0.000 8.771 -0.638) 8.794 16.929 ( 0.000 14.846 -10.722) 18.313 ======================= Grid point 76 (29/48) ======================= q-point: ( 0.20 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 7.107 5.163 13.829) 16.383 1.188 ( 9.889 3.442 7.004) 12.597 1.331 ( 12.302 9.822 16.884) 23.084 1.598 ( 0.170 2.265 -6.551) 6.934 1.681 ( 4.105 1.609 -5.164) 6.791 1.839 ( 0.191 -4.491 1.018) 4.609 1.955 ( -0.894 4.443 7.454) 8.724 2.024 ( -1.649 4.672 4.161) 6.470 2.253 ( 6.917 8.332 -3.902) 11.511 2.290 ( -10.175 -0.161 -5.717) 11.672 2.351 ( 4.704 1.236 0.604) 4.901 2.445 ( -3.132 -6.793 -4.282) 8.619 2.587 ( -2.768 0.057 -4.694) 5.450 2.656 ( -2.787 1.462 -2.903) 4.281 2.697 ( -9.557 4.121 -3.898) 11.114 2.742 ( -2.731 2.054 -1.283) 3.650 2.893 ( 1.348 -2.042 -1.283) 2.763 2.945 ( 1.706 -1.867 -1.365) 2.874 2.995 ( -0.174 0.218 -1.634) 1.658 3.037 ( 2.281 3.598 -2.312) 4.847 3.238 ( -4.063 -2.884 0.729) 5.036 3.290 ( -1.839 -6.680 -0.752) 6.969 3.370 ( 0.962 2.988 -3.109) 4.418 3.504 ( -0.900 1.028 -8.229) 8.341 3.556 ( 1.741 2.582 -0.748) 3.203 3.584 ( -4.912 -0.865 0.728) 5.040 3.659 ( 2.497 2.992 -3.176) 5.027 3.698 ( 0.956 6.067 -3.768) 7.206 3.892 ( -1.305 -2.160 -1.866) 3.139 4.104 ( -0.830 -3.151 6.974) 7.697 4.220 ( -0.160 -0.866 5.715) 5.783 4.255 ( -8.610 -0.626 -5.721) 10.356 4.265 ( -4.896 -9.189 3.784) 11.078 4.391 ( 11.538 -3.614 8.630) 14.855 4.416 ( 0.169 3.313 2.706) 4.281 4.567 ( -0.685 -1.890 5.030) 5.417 4.609 ( -0.145 -5.447 -1.703) 5.709 4.744 ( -6.572 4.219 0.896) 7.862 4.799 ( 0.585 -1.254 -3.739) 3.987 4.839 ( 5.144 0.375 -2.372) 5.677 4.877 ( 2.779 -2.428 -1.772) 4.093 4.969 ( -1.164 -3.530 -1.080) 3.871 5.009 ( 2.844 -2.013 -0.479) 3.517 5.064 ( 0.455 0.476 -1.834) 1.948 5.122 ( -0.711 2.251 -2.479) 3.423 5.209 ( 0.147 -4.324 -1.459) 4.566 5.290 ( -1.300 0.171 3.854) 4.070 5.345 ( 3.834 1.891 3.240) 5.364 5.369 ( 1.643 1.917 -0.756) 2.636 5.487 ( 3.113 -0.127 2.406) 3.936 5.598 ( 3.888 4.841 -0.585) 6.237 5.666 ( -0.020 5.463 2.257) 5.911 5.678 ( 5.307 3.418 -4.873) 7.974 5.692 ( 0.253 3.000 0.908) 3.145 5.781 ( -2.312 3.051 -1.416) 4.082 5.823 ( -3.211 0.519 0.390) 3.276 5.947 ( 2.015 3.359 -1.916) 4.360 5.994 ( 1.291 1.846 3.518) 4.178 6.143 ( 1.781 3.208 -0.456) 3.697 6.206 ( 1.289 10.247 -1.205) 10.398 6.220 ( -7.324 1.689 -1.803) 7.729 6.398 ( -4.794 -1.123 2.547) 5.543 6.474 ( -0.520 6.344 3.265) 7.154 6.535 ( -0.830 0.523 6.136) 6.214 6.558 ( 3.065 0.114 3.484) 4.642 6.684 ( 9.559 -5.796 0.526) 11.192 6.840 ( 0.255 3.021 4.330) 5.286 6.876 ( 1.914 1.912 4.505) 5.255 6.977 ( -1.717 -1.780 6.112) 6.593 7.099 ( 0.131 -2.498 9.410) 9.737 7.220 ( -10.306 -1.318 0.213) 10.392 7.344 ( -5.469 -0.728 -0.280) 5.524 7.600 ( -2.295 -3.453 1.482) 4.403 7.650 ( -3.069 2.242 -1.488) 4.082 7.671 ( 3.033 -5.064 -2.533) 6.423 7.728 ( -0.203 -1.330 -0.810) 1.571 7.915 ( 1.415 2.782 -0.130) 3.124 7.963 ( -1.592 2.063 1.904) 3.227 8.059 ( -0.513 3.689 -2.768) 4.641 8.190 ( -2.154 -2.084 -0.648) 3.066 8.398 ( 8.341 -2.663 -2.096) 9.003 8.632 ( -1.320 0.007 0.330) 1.361 8.679 ( 1.067 2.526 -1.415) 3.086 8.819 ( 0.991 -7.515 -3.954) 8.549 8.894 ( -0.160 8.505 -0.612) 8.529 8.986 ( 1.014 -7.442 -0.509) 7.528 9.009 ( 4.541 0.563 -2.822) 5.376 9.028 ( 3.981 -15.107 0.459) 15.629 9.329 ( -1.425 1.705 -4.286) 4.827 9.427 ( -3.671 -2.575 -12.728) 13.495 9.635 ( 3.083 10.829 -3.816) 11.888 9.709 ( 6.170 7.917 -5.359) 11.378 9.917 ( -3.354 6.361 4.551) 8.510 10.156 ( -1.485 -0.585 -1.609) 2.267 10.242 ( 0.340 -2.450 4.331) 4.987 10.295 ( 1.828 2.977 4.369) 5.594 10.389 ( 3.250 -4.657 0.732) 5.726 10.572 ( 0.937 2.455 1.014) 2.817 10.673 ( -5.441 3.293 -3.220) 7.129 10.757 ( -8.756 9.866 -3.331) 13.605 10.935 ( 0.000 -2.935 4.898) 5.710 11.019 ( 0.632 0.523 5.127) 5.193 11.130 ( 1.959 -5.077 9.139) 10.637 11.209 ( 4.937 10.053 -1.163) 11.260 11.262 ( 1.791 4.951 -2.733) 5.932 11.417 ( -1.712 -7.758 1.249) 8.042 12.107 ( 0.631 -2.998 -0.464) 3.099 12.238 ( -2.189 -4.369 -1.704) 5.175 12.313 ( 3.500 -3.025 8.100) 9.328 12.403 ( 0.172 4.219 -0.013) 4.223 12.659 ( 11.746 -2.620 -6.242) 13.557 12.713 ( 6.327 -5.780 -4.761) 9.804 12.878 ( -5.239 -2.265 3.268) 6.577 13.048 ( -5.424 -9.025 -1.460) 10.630 13.185 ( -3.096 -1.400 -2.927) 4.485 13.348 ( -4.680 4.071 1.525) 6.387 13.524 ( 3.770 0.941 -0.353) 3.901 13.576 ( 3.978 -5.168 1.090) 6.612 13.841 ( -4.122 -2.980 6.652) 8.374 14.080 ( -7.165 -16.213 3.654) 18.098 14.236 ( 3.957 -9.544 2.771) 10.697 14.349 ( -0.641 -4.430 2.761) 5.259 14.523 ( 3.516 -1.568 -0.157) 3.853 14.801 ( -4.118 -2.142 -7.433) 8.763 15.311 ( -2.903 -10.364 -0.880) 10.798 15.398 ( -2.632 -0.390 -1.345) 2.982 15.692 ( -3.740 10.545 3.571) 11.745 15.964 ( -6.573 17.544 -4.933) 19.374 16.226 ( 9.018 -9.731 3.317) 13.675 16.424 ( 5.973 0.929 -2.929) 6.717 16.743 ( 0.570 8.949 -1.393) 9.075 16.904 ( -2.388 13.421 -9.134) 16.409 ======================= Grid point 77 (30/48) ======================= q-point: ( 0.40 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 15.846 4.623 7.373) 18.078 1.417 ( 10.999 2.621 5.083) 12.396 1.512 ( 4.757 8.762 3.674) 10.626 1.576 ( -1.629 4.281 -2.932) 5.439 1.708 ( -6.706 -0.089 1.907) 6.972 1.763 ( -10.360 3.991 4.347) 11.922 1.861 ( 5.898 7.771 1.226) 9.833 2.052 ( -11.965 8.708 1.684) 14.894 2.177 ( 10.681 -5.627 4.800) 12.992 2.351 ( -5.997 -8.183 -2.066) 10.353 2.415 ( 3.666 1.848 -0.337) 4.120 2.429 ( 5.023 -2.137 -9.880) 11.288 2.499 ( -5.521 2.449 -3.801) 7.136 2.542 ( -0.653 2.289 -3.226) 4.009 2.608 ( -2.664 -0.796 -4.249) 5.077 2.707 ( -6.624 -1.529 -1.289) 6.920 2.830 ( 1.837 3.102 -0.391) 3.627 2.921 ( -4.861 2.392 -0.212) 5.422 3.067 ( 3.884 3.287 -6.433) 8.202 3.101 ( 1.293 -1.839 -4.557) 5.082 3.226 ( 3.891 -1.412 -5.010) 6.499 3.278 ( -0.986 -3.606 -6.179) 7.222 3.410 ( 3.922 6.207 6.082) 9.534 3.480 ( -1.577 -2.339 -0.836) 2.942 3.553 ( 5.037 -2.128 0.269) 5.475 3.647 ( 6.196 0.174 -0.213) 6.202 3.708 ( -1.289 4.184 -4.304) 6.140 3.719 ( -0.598 3.756 -1.547) 4.106 3.846 ( -2.597 0.535 -2.339) 3.536 3.954 ( -12.909 -0.932 -2.452) 13.172 4.044 ( -4.134 1.038 3.688) 5.636 4.097 ( -6.541 -2.232 2.418) 7.322 4.343 ( 1.560 -3.960 4.771) 6.394 4.372 ( -1.121 -2.550 3.203) 4.245 4.517 ( 3.417 1.988 5.283) 6.599 4.574 ( -1.745 0.123 4.008) 4.374 4.580 ( 1.307 1.619 6.075) 6.421 4.661 ( -2.779 0.965 1.501) 3.303 4.899 ( 4.868 -4.450 -5.014) 8.285 4.913 ( 2.149 -2.419 -2.474) 4.073 4.986 ( 6.072 -3.823 -1.513) 7.333 4.992 ( 4.042 -6.766 0.113) 7.882 5.036 ( 0.445 -2.901 -0.015) 2.935 5.080 ( -2.783 -3.281 -1.560) 4.577 5.093 ( 1.582 2.591 -1.816) 3.537 5.176 ( -4.550 -2.948 -2.719) 6.065 5.325 ( 3.859 1.935 4.713) 6.392 5.359 ( -0.389 2.524 4.385) 5.075 5.478 ( 5.742 0.635 1.278) 5.917 5.543 ( 0.695 2.224 2.864) 3.692 5.609 ( -0.553 6.698 1.455) 6.876 5.627 ( -2.054 2.449 -0.745) 3.282 5.679 ( 0.117 2.763 2.042) 3.437 5.710 ( -2.824 3.505 0.589) 4.539 5.786 ( 2.031 5.741 -8.009) 10.062 5.830 ( 2.661 7.901 -2.760) 8.782 5.894 ( -1.401 3.990 -8.206) 9.232 6.026 ( -9.742 1.537 -3.896) 10.604 6.155 ( 8.935 -4.072 4.009) 10.606 6.238 ( 4.607 1.760 2.942) 5.743 6.288 ( 5.294 7.207 -2.927) 9.409 6.305 ( -1.877 -1.175 5.708) 6.122 6.430 ( -4.966 0.342 8.779) 10.092 6.478 ( -1.480 9.260 4.081) 10.227 6.631 ( 0.692 3.553 5.378) 6.483 6.711 ( -9.817 -3.238 5.531) 11.724 6.830 ( 5.023 -5.240 -2.786) 7.775 6.894 ( -0.732 -4.116 -0.623) 4.227 7.034 ( 5.442 5.811 3.940) 8.883 7.058 ( -0.050 -3.203 3.586) 4.809 7.122 ( -1.671 0.759 9.586) 9.760 7.203 ( -8.007 -0.544 3.659) 8.820 7.557 ( -0.279 -3.297 -1.819) 3.776 7.588 ( -3.040 -2.344 -0.367) 3.857 7.748 ( 3.521 -1.454 -3.646) 5.273 7.761 ( 2.476 -4.075 -2.435) 5.354 7.900 ( -2.136 2.481 -2.304) 4.003 7.914 ( -2.897 3.579 -4.163) 6.207 8.073 ( 2.320 1.180 -1.623) 3.067 8.135 ( -3.446 -1.189 -1.059) 3.796 8.538 ( 5.511 -1.752 -0.844) 5.844 8.613 ( -2.078 -2.372 1.162) 3.361 8.734 ( 5.109 3.301 -0.013) 6.083 8.832 ( -2.917 5.808 -1.377) 6.643 8.879 ( 1.836 -4.109 -0.011) 4.500 8.942 ( -3.536 -9.218 0.183) 9.874 9.119 ( 5.182 -3.803 0.937) 6.496 9.142 ( 4.391 -11.995 -0.622) 12.789 9.296 ( -0.789 1.935 -6.471) 6.800 9.349 ( -4.474 -4.425 -11.256) 12.896 9.699 ( 4.111 12.477 -0.660) 13.154 9.794 ( -4.214 12.247 3.072) 13.311 9.903 ( 8.300 4.532 -4.703) 10.562 10.073 ( -7.027 -1.995 -3.291) 8.012 10.262 ( 1.735 -0.629 5.390) 5.697 10.307 ( -2.108 0.949 4.186) 4.782 10.473 ( 5.661 4.320 1.024) 7.194 10.570 ( -2.027 4.694 -0.011) 5.113 10.590 ( -1.223 1.522 -5.157) 5.514 10.632 ( -4.095 1.145 -3.890) 5.763 10.943 ( 1.225 -2.672 6.419) 7.060 10.987 ( -2.874 -1.746 7.137) 7.889 11.222 ( 6.246 -5.200 5.103) 9.596 11.270 ( 1.438 4.367 -0.094) 4.599 11.286 ( 0.555 7.386 -1.607) 7.580 11.352 ( -4.964 -4.439 1.637) 6.858 12.130 ( 1.717 -2.493 -2.452) 3.895 12.173 ( -2.772 -3.082 -3.792) 5.618 12.436 ( 5.151 -0.697 6.196) 8.088 12.469 ( 5.328 -5.264 7.465) 10.575 12.666 ( -2.270 3.260 7.764) 8.721 12.795 ( -9.581 -5.997 6.223) 12.902 12.936 ( 13.838 -2.466 -6.765) 15.599 13.008 ( 4.574 -4.419 -5.643) 8.503 13.106 ( -4.497 -4.442 -4.968) 8.040 13.190 ( -11.340 1.371 -4.856) 12.411 13.616 ( 5.177 0.667 1.737) 5.501 13.677 ( 3.445 -4.319 4.181) 6.928 13.764 ( -0.540 -1.706 2.723) 3.258 13.902 ( -9.754 -9.975 5.015) 14.825 14.330 ( 4.460 -12.196 -1.454) 13.067 14.370 ( 0.721 -11.283 -0.773) 11.332 14.583 ( 3.849 3.332 -1.043) 5.197 14.692 ( -6.539 2.357 -4.699) 8.390 15.293 ( 1.219 -8.098 -2.705) 8.624 15.340 ( -3.047 -6.011 -2.684) 7.254 15.692 ( 3.112 12.396 -1.048) 12.823 15.802 ( -7.868 13.808 -5.120) 16.697 16.396 ( 6.857 -4.794 4.026) 9.284 16.475 ( -1.000 -1.444 1.804) 2.518 16.777 ( 2.987 9.577 -3.810) 10.731 16.844 ( -3.543 10.963 -6.280) 13.122 ======================= Grid point 80 (31/48) ======================= q-point: ( 0.00 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.000 3.324 4.639) 5.707 1.223 ( 0.000 4.900 2.835) 5.661 1.270 ( 0.000 8.829 5.245) 10.270 1.615 ( 0.000 -7.473 -9.878) 12.386 1.641 ( 0.000 2.540 -10.762) 11.057 1.767 ( 0.000 4.909 6.094) 7.825 2.076 ( 0.000 2.723 3.058) 4.095 2.117 ( 0.000 -2.431 -12.171) 12.412 2.286 ( 0.000 1.472 0.352) 1.513 2.356 ( 0.000 -1.629 6.531) 6.731 2.367 ( 0.000 1.562 -4.636) 4.892 2.445 ( 0.000 4.221 0.293) 4.231 2.662 ( 0.000 -4.872 -2.518) 5.484 2.729 ( 0.000 8.744 -1.212) 8.827 2.796 ( 0.000 3.924 1.848) 4.338 2.813 ( 0.000 2.252 0.818) 2.396 2.842 ( 0.000 -2.932 3.864) 4.850 2.879 ( 0.000 -3.961 5.268) 6.591 2.969 ( 0.000 3.973 -4.540) 6.032 3.154 ( 0.000 7.671 -1.746) 7.867 3.230 ( 0.000 -3.816 -0.060) 3.816 3.286 ( 0.000 2.562 -5.958) 6.485 3.381 ( 0.000 -3.698 -0.219) 3.704 3.511 ( 0.000 -8.498 1.015) 8.559 3.593 ( 0.000 -2.562 -3.806) 4.588 3.663 ( 0.000 10.979 -0.010) 10.979 3.702 ( 0.000 3.107 4.756) 5.681 3.734 ( 0.000 1.765 -10.163) 10.315 3.905 ( 0.000 -0.658 -2.165) 2.263 4.061 ( 0.000 -4.331 0.302) 4.341 4.061 ( 0.000 -2.653 10.699) 11.023 4.179 ( 0.000 -1.099 5.676) 5.782 4.215 ( 0.000 4.727 3.517) 5.892 4.362 ( 0.000 -2.859 -12.741) 13.057 4.467 ( 0.000 -4.708 -0.270) 4.715 4.505 ( 0.000 0.990 -4.354) 4.465 4.552 ( 0.000 -3.874 3.080) 4.949 4.646 ( 0.000 -5.415 -5.133) 7.461 4.698 ( 0.000 -4.435 -4.739) 6.490 4.705 ( 0.000 -12.513 -3.416) 12.971 4.958 ( 0.000 5.327 1.840) 5.636 5.019 ( 0.000 3.385 0.066) 3.386 5.045 ( 0.000 -3.242 -2.586) 4.147 5.055 ( 0.000 3.059 4.840) 5.726 5.122 ( 0.000 4.013 -0.696) 4.073 5.235 ( 0.000 4.243 -2.315) 4.834 5.273 ( 0.000 -2.836 2.169) 3.570 5.293 ( 0.000 3.538 2.104) 4.116 5.498 ( 0.000 0.698 3.470) 3.540 5.544 ( 0.000 2.611 4.061) 4.828 5.546 ( 0.000 8.397 0.491) 8.412 5.659 ( 0.000 -1.081 -1.252) 1.654 5.666 ( 0.000 1.179 5.029) 5.165 5.818 ( 0.000 6.501 0.703) 6.538 5.829 ( 0.000 6.082 -3.220) 6.882 5.841 ( 0.000 -1.485 6.874) 7.032 5.999 ( 0.000 1.580 -1.634) 2.273 6.107 ( 0.000 1.726 -4.991) 5.281 6.265 ( 0.000 -4.882 5.650) 7.467 6.295 ( 0.000 -6.899 -10.990) 12.976 6.349 ( 0.000 10.494 -3.388) 11.027 6.351 ( 0.000 -2.920 13.466) 13.779 6.532 ( 0.000 5.141 7.061) 8.734 6.546 ( 0.000 7.842 6.114) 9.944 6.617 ( 0.000 4.182 2.856) 5.064 6.713 ( 0.000 18.135 1.923) 18.237 6.894 ( 0.000 4.741 0.761) 4.802 6.941 ( 0.000 -3.591 11.807) 12.341 6.945 ( 0.000 -6.022 -4.753) 7.672 7.056 ( 0.000 9.608 9.234) 13.326 7.242 ( 0.000 -6.537 -4.848) 8.139 7.380 ( 0.000 -2.671 2.630) 3.748 7.449 ( 0.000 -3.387 -0.074) 3.388 7.573 ( 0.000 -2.789 -1.629) 3.230 7.754 ( 0.000 1.862 2.242) 2.915 7.904 ( 0.000 8.559 -3.421) 9.217 7.966 ( 0.000 1.223 6.287) 6.405 7.984 ( 0.000 4.187 3.379) 5.381 8.121 ( 0.000 -2.080 -2.362) 3.147 8.148 ( 0.000 -3.685 2.151) 4.267 8.231 ( 0.000 -3.790 -7.357) 8.276 8.429 ( 0.000 -19.845 5.805) 20.677 8.591 ( 0.000 -16.765 -11.508) 20.335 8.708 ( 0.000 -2.351 -2.956) 3.777 8.709 ( 0.000 -2.542 -4.425) 5.104 8.759 ( 0.000 -10.662 1.740) 10.803 9.093 ( 0.000 3.735 -6.115) 7.165 9.195 ( 0.000 21.813 4.526) 22.278 9.375 ( 0.000 -4.258 -15.532) 16.105 9.499 ( 0.000 12.932 -3.534) 13.406 9.801 ( 0.000 7.230 -1.210) 7.331 9.843 ( 0.000 6.804 -1.863) 7.055 10.019 ( 0.000 7.662 0.012) 7.662 10.054 ( 0.000 -7.946 -2.362) 8.290 10.208 ( 0.000 0.894 1.282) 1.563 10.362 ( 0.000 5.465 0.650) 5.503 10.447 ( 0.000 9.032 3.821) 9.807 10.560 ( 0.000 -0.298 -2.038) 2.059 10.794 ( 0.000 -1.099 3.199) 3.382 10.835 ( 0.000 -5.581 3.528) 6.603 10.910 ( 0.000 -8.079 8.146) 11.473 11.080 ( 0.000 -20.084 3.407) 20.371 11.099 ( 0.000 9.860 4.745) 10.943 11.235 ( 0.000 14.026 -5.007) 14.893 11.395 ( 0.000 13.187 -1.477) 13.269 11.403 ( 0.000 7.371 -3.592) 8.199 12.011 ( 0.000 -5.649 -0.310) 5.657 12.153 ( 0.000 -6.362 0.153) 6.364 12.262 ( 0.000 -6.856 3.016) 7.490 12.306 ( 0.000 -8.045 -0.697) 8.076 12.526 ( 0.000 4.129 -4.868) 6.384 12.533 ( 0.000 -8.839 -3.815) 9.627 12.742 ( 0.000 -16.928 -1.138) 16.966 12.807 ( 0.000 -14.833 -8.149) 16.924 13.333 ( 0.000 6.341 4.636) 7.855 13.398 ( 0.000 -2.874 5.898) 6.561 13.424 ( 0.000 -0.898 3.790) 3.895 13.523 ( 0.000 2.977 -0.765) 3.074 13.895 ( 0.000 7.129 -2.720) 7.630 13.907 ( 0.000 -8.254 -3.975) 9.161 14.043 ( 0.000 -5.188 10.614) 11.814 14.241 ( 0.000 -5.875 9.518) 11.185 14.491 ( 0.000 -2.923 0.274) 2.936 14.681 ( 0.000 -11.350 -4.525) 12.219 15.138 ( 0.000 -4.947 3.957) 6.335 15.439 ( 0.000 -1.632 -3.522) 3.882 15.801 ( 0.000 -1.976 7.770) 8.018 16.060 ( 0.000 -5.284 0.091) 5.285 16.392 ( 0.000 20.288 -3.117) 20.526 16.493 ( 0.000 13.721 -6.577) 15.215 16.897 ( 0.000 6.153 -0.844) 6.210 17.100 ( 0.000 2.952 -9.428) 9.879 ======================= Grid point 81 (32/48) ======================= q-point: ( 0.20 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 9.243 5.862 2.969) 11.340 1.318 ( 7.732 8.455 -1.328) 11.535 1.472 ( 17.830 2.451 6.586) 19.165 1.612 ( 0.462 -2.698 -8.409) 8.843 1.706 ( 4.056 0.285 -8.783) 9.678 1.770 ( 0.770 3.209 3.319) 4.681 2.003 ( -5.193 2.444 0.453) 5.757 2.154 ( 0.788 2.236 1.716) 2.926 2.257 ( -3.128 -1.091 -4.258) 5.394 2.313 ( -3.647 -0.982 -4.405) 5.803 2.345 ( -0.465 0.416 3.943) 3.992 2.448 ( -1.325 1.339 0.100) 1.886 2.600 ( -4.388 -4.460 0.748) 6.301 2.685 ( -4.176 8.391 1.803) 9.545 2.774 ( -1.601 1.929 -0.728) 2.610 2.809 ( -5.699 0.705 -0.618) 5.776 2.833 ( -3.802 -1.228 1.677) 4.333 2.912 ( 3.872 -3.335 -1.609) 5.358 2.979 ( 6.686 3.615 -1.074) 7.676 3.145 ( -3.658 3.166 -4.503) 6.610 3.187 ( -0.710 4.623 -5.615) 7.308 3.253 ( -1.270 -0.961 2.395) 2.876 3.418 ( 3.343 1.495 2.307) 4.328 3.475 ( -1.580 -4.384 -1.532) 4.906 3.571 ( -1.934 0.574 -4.556) 4.983 3.624 ( -2.908 2.847 0.603) 4.114 3.712 ( 3.239 0.466 0.389) 3.296 3.795 ( 2.014 2.002 -6.667) 7.247 3.885 ( 3.013 6.011 1.831) 6.969 4.049 ( -1.493 -5.576 3.896) 6.964 4.130 ( -5.010 -3.844 1.161) 6.421 4.192 ( -4.585 2.744 0.435) 5.361 4.245 ( -0.660 -0.559 1.279) 1.544 4.316 ( 7.932 -3.881 2.499) 9.178 4.409 ( -2.202 -5.318 -3.597) 6.787 4.505 ( 3.475 -0.949 -0.668) 3.664 4.556 ( -1.701 -2.219 2.413) 3.693 4.703 ( 3.299 -6.316 -5.873) 9.234 4.743 ( 0.981 -5.947 -2.632) 6.577 4.762 ( 4.264 -6.648 -2.525) 8.292 4.941 ( -1.318 4.793 0.292) 4.979 4.963 ( -3.480 4.148 0.721) 5.462 5.016 ( -1.357 1.539 -0.805) 2.204 5.059 ( 1.942 0.374 0.164) 1.985 5.137 ( -0.268 1.228 -2.655) 2.938 5.209 ( -1.553 4.329 -1.787) 4.934 5.299 ( 1.374 1.714 4.223) 4.761 5.350 ( 5.569 0.446 3.538) 6.613 5.477 ( -3.098 4.545 2.043) 5.868 5.514 ( 3.631 2.229 1.190) 4.424 5.626 ( -1.974 -2.859 -0.380) 3.495 5.665 ( 6.060 2.306 -0.531) 6.506 5.711 ( 1.469 0.643 1.843) 2.443 5.787 ( -0.863 3.731 -0.482) 3.860 5.869 ( 3.510 3.272 1.549) 5.042 5.892 ( 3.655 5.072 3.230) 7.037 6.000 ( 1.502 0.777 -1.617) 2.340 6.082 ( -2.620 2.337 -5.376) 6.421 6.154 ( -7.703 -0.469 3.248) 8.373 6.275 ( -3.635 0.808 9.336) 10.051 6.345 ( -0.457 1.728 -4.483) 4.827 6.463 ( 7.759 -3.344 -0.022) 8.450 6.536 ( -3.388 -1.493 9.946) 10.613 6.580 ( 3.435 2.082 -0.372) 4.034 6.630 ( -3.257 23.435 0.453) 23.664 6.648 ( 4.448 6.792 8.964) 12.094 6.812 ( -6.045 -5.276 0.572) 8.044 6.977 ( 1.968 3.554 5.515) 6.850 6.995 ( 2.378 -1.019 -2.389) 3.522 7.042 ( -2.233 7.420 6.368) 10.030 7.176 ( -3.167 -3.622 4.139) 6.347 7.373 ( -4.893 3.778 -1.912) 6.471 7.494 ( 4.312 -7.671 3.578) 9.499 7.545 ( -1.029 -4.287 -2.602) 5.119 7.728 ( -2.853 2.848 -0.750) 4.101 7.773 ( -7.337 5.501 1.040) 9.229 7.957 ( -0.011 1.977 -0.368) 2.011 8.021 ( -0.348 2.185 1.193) 2.514 8.100 ( -2.308 -0.505 -1.697) 2.909 8.140 ( -0.383 -2.762 -0.153) 2.792 8.303 ( 6.078 -7.983 -2.438) 10.326 8.437 ( 1.143 -17.834 4.834) 18.513 8.570 ( -1.731 -11.734 -4.420) 12.658 8.663 ( -2.509 -13.298 -1.574) 13.624 8.795 ( 5.592 -0.405 -4.182) 6.995 8.837 ( 7.376 -5.600 -4.093) 10.125 9.072 ( -2.065 4.330 -6.079) 7.744 9.206 ( 0.106 16.164 3.043) 16.448 9.357 ( -0.660 0.811 -13.003) 13.045 9.493 ( -1.357 12.811 -3.893) 13.458 9.811 ( 1.906 5.893 -0.700) 6.233 9.909 ( 5.778 8.115 -1.400) 10.060 10.021 ( 0.123 7.887 -0.765) 7.925 10.062 ( 0.277 -6.566 -1.955) 6.856 10.197 ( 0.433 -1.058 4.337) 4.485 10.386 ( -4.261 7.371 4.296) 9.536 10.454 ( 7.129 6.761 -0.193) 9.827 10.600 ( 1.960 0.885 -1.652) 2.712 10.739 ( -4.448 0.673 3.247) 5.548 10.823 ( -0.887 -7.571 3.914) 8.569 10.923 ( -1.296 -2.339 4.177) 4.959 11.008 ( -5.741 -6.670 3.507) 9.473 11.068 ( -4.595 0.138 3.618) 5.850 11.148 ( -1.046 2.494 -0.766) 2.811 11.425 ( 2.721 9.065 -3.797) 10.197 11.484 ( 2.843 10.672 -2.074) 11.237 12.027 ( 1.572 -5.328 -0.718) 5.601 12.123 ( -2.211 -7.713 -3.531) 8.767 12.249 ( 2.351 -2.906 5.959) 7.034 12.388 ( 1.361 -8.059 -0.131) 8.174 12.529 ( 6.468 -9.589 -1.919) 11.725 12.653 ( 6.834 -2.270 -5.150) 8.853 12.709 ( -2.140 -13.407 -1.272) 13.636 12.798 ( -0.551 -12.634 -5.382) 13.743 13.203 ( -9.518 2.145 4.236) 10.637 13.363 ( -6.505 -4.309 2.356) 8.151 13.471 ( 5.161 1.668 2.882) 6.142 13.598 ( 6.041 3.591 -0.435) 7.041 13.858 ( -2.990 6.585 -1.784) 7.449 13.882 ( -1.629 -3.834 4.098) 5.844 14.089 ( 3.073 -5.262 3.205) 6.885 14.204 ( -2.858 -6.133 6.339) 9.272 14.514 ( 2.081 -4.921 -0.102) 5.344 14.663 ( -1.786 -11.660 -4.161) 12.508 15.162 ( 2.352 -1.564 2.416) 3.717 15.418 ( -2.730 1.389 -4.364) 5.332 15.768 ( -1.685 -1.963 6.625) 7.112 16.010 ( -5.128 -6.365 -1.080) 8.245 16.417 ( 3.436 19.659 -0.896) 19.977 16.544 ( 3.152 10.814 -3.876) 11.912 16.899 ( 0.438 5.864 -1.737) 6.131 17.066 ( -3.226 3.129 -8.318) 9.454 ======================= Grid point 82 (33/48) ======================= q-point: ( 0.40 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 12.723 5.333 1.122) 13.841 1.492 ( 7.454 4.620 -1.286) 8.864 1.604 ( -0.907 2.138 -6.237) 6.655 1.704 ( -5.344 1.917 -7.595) 9.482 1.764 ( 6.828 10.042 3.755) 12.711 1.885 ( -1.206 3.740 1.776) 4.312 1.900 ( 10.227 -1.824 2.447) 10.673 2.151 ( -3.558 -0.655 2.879) 4.623 2.167 ( -6.187 0.981 1.363) 6.411 2.196 ( -3.678 -2.378 -3.306) 5.487 2.374 ( 2.905 -2.453 0.135) 3.804 2.427 ( -0.878 -2.271 1.043) 2.649 2.509 ( -3.191 -0.914 -1.203) 3.531 2.586 ( -10.242 5.965 1.483) 11.945 2.646 ( 1.089 3.047 1.739) 3.673 2.712 ( -4.492 0.555 -0.815) 4.599 2.873 ( 3.785 0.615 -0.109) 3.837 2.950 ( -2.493 0.003 0.199) 2.500 3.068 ( 3.450 -2.558 -3.935) 5.825 3.105 ( 0.123 -2.167 -5.953) 6.336 3.204 ( 1.218 4.257 -6.923) 8.217 3.229 ( -1.373 0.393 -3.881) 4.135 3.475 ( 1.367 0.485 -3.649) 3.927 3.504 ( -1.172 -0.562 -7.052) 7.171 3.597 ( 12.332 7.587 6.248) 15.769 3.653 ( 4.886 2.613 0.935) 5.619 3.759 ( -1.823 3.295 0.323) 3.780 3.796 ( 0.285 -4.883 -2.088) 5.318 3.880 ( -9.653 8.316 1.154) 12.793 3.912 ( -8.668 -2.193 0.689) 8.968 4.052 ( 4.671 1.102 1.201) 4.947 4.156 ( -2.766 5.742 0.330) 6.382 4.224 ( -0.564 -6.404 7.532) 9.903 4.270 ( -4.646 -6.851 2.102) 8.541 4.527 ( 4.533 -3.871 1.012) 6.046 4.549 ( 0.709 -1.279 1.213) 1.900 4.588 ( 4.887 0.312 -0.501) 4.922 4.686 ( -4.434 -0.861 -3.372) 5.636 4.775 ( 3.075 -8.301 -2.142) 9.108 4.806 ( 0.497 -9.231 -1.820) 9.422 4.912 ( -0.931 2.562 -0.729) 2.821 4.926 ( -0.999 1.957 -1.324) 2.565 5.028 ( 1.841 1.285 -2.252) 3.179 5.083 ( -2.995 2.222 -1.789) 4.136 5.126 ( 2.728 1.874 -0.913) 3.433 5.185 ( -2.513 1.427 -1.641) 3.324 5.387 ( 6.720 1.432 5.732) 8.947 5.428 ( 2.285 2.679 2.922) 4.576 5.487 ( 3.982 1.265 0.070) 4.178 5.575 ( -3.520 -2.547 -0.076) 4.345 5.594 ( 3.836 2.641 0.158) 4.660 5.688 ( -3.055 1.978 1.321) 3.872 5.735 ( 1.219 1.919 -2.829) 3.629 5.782 ( -2.195 1.987 -2.145) 3.656 5.929 ( 3.051 8.156 -2.295) 9.005 5.940 ( 1.421 0.942 3.174) 3.603 6.014 ( -3.988 -0.430 1.024) 4.140 6.027 ( -3.612 5.520 2.720) 7.135 6.107 ( 7.805 0.993 -3.301) 8.532 6.234 ( -0.708 -4.296 6.511) 7.833 6.289 ( -2.674 2.481 1.542) 3.960 6.390 ( -8.175 -1.013 8.088) 11.544 6.589 ( 4.584 0.029 1.763) 4.912 6.632 ( 2.794 4.764 2.586) 6.098 6.669 ( -0.015 8.793 1.488) 8.918 6.716 ( -2.074 5.526 1.393) 6.065 6.760 ( 6.448 3.998 1.371) 7.710 6.914 ( -7.824 8.434 -0.526) 11.516 6.989 ( 3.013 -0.861 3.863) 4.974 7.072 ( -1.033 -2.115 5.644) 6.116 7.155 ( 2.263 3.576 3.867) 5.733 7.251 ( -6.271 3.503 1.823) 7.411 7.485 ( 0.260 -4.115 0.002) 4.124 7.549 ( -4.807 -1.824 -1.700) 5.415 7.685 ( 3.512 -1.058 0.328) 3.683 7.734 ( -0.739 -0.063 -0.607) 0.959 7.946 ( -0.159 1.578 -2.214) 2.723 7.982 ( -3.181 2.427 -3.316) 5.197 8.080 ( 0.886 -1.454 0.151) 1.709 8.115 ( -2.001 -0.581 -0.797) 2.231 8.434 ( 6.592 -15.144 1.301) 16.567 8.475 ( 2.192 -11.796 2.269) 12.211 8.538 ( -1.432 -12.554 1.629) 12.740 8.585 ( -5.266 -14.604 0.698) 15.540 8.914 ( 5.803 1.409 -4.460) 7.453 8.991 ( 3.596 -1.099 -6.029) 7.105 9.026 ( 1.280 2.407 -6.660) 7.196 9.155 ( -5.564 2.617 -4.549) 7.649 9.380 ( 2.796 12.032 -5.795) 13.644 9.444 ( -3.302 13.561 -3.399) 14.366 9.882 ( 5.135 3.885 0.172) 6.441 9.983 ( -4.033 1.736 0.043) 4.391 10.027 ( 4.479 8.414 -1.197) 9.606 10.070 ( -0.019 6.200 0.699) 6.240 10.236 ( 3.581 -0.689 6.095) 7.102 10.311 ( -3.426 3.197 5.223) 7.017 10.572 ( 2.457 1.527 -3.940) 4.888 10.611 ( -0.871 3.949 -0.748) 4.113 10.675 ( 1.264 5.542 1.726) 5.940 10.786 ( -6.755 9.882 -2.190) 12.169 10.833 ( 0.667 -9.666 6.298) 11.556 10.896 ( -5.077 -10.553 5.181) 12.806 11.088 ( 4.021 -4.896 3.355) 7.169 11.145 ( -1.179 -5.659 2.010) 6.120 11.460 ( 1.116 9.221 -2.015) 9.504 11.487 ( -1.581 9.597 -1.723) 9.878 12.065 ( 2.019 -4.600 -2.519) 5.620 12.095 ( -1.049 -5.227 -4.167) 6.767 12.323 ( 4.135 -6.326 5.571) 9.389 12.380 ( -1.504 -7.279 2.877) 7.970 12.612 ( 1.198 -14.271 -0.982) 14.355 12.659 ( -3.295 -11.503 -2.412) 12.206 12.815 ( 9.631 -5.731 -0.197) 11.209 12.882 ( 9.085 -3.410 -2.160) 9.941 13.019 ( -8.075 -2.790 0.310) 8.549 13.153 ( -13.267 -4.349 -1.103) 14.005 13.609 ( 8.102 3.741 1.761) 9.097 13.731 ( 6.481 5.484 1.219) 8.577 13.759 ( -6.163 4.032 1.766) 7.573 13.845 ( -3.788 3.790 4.253) 6.841 14.136 ( 1.758 -7.818 -0.936) 8.068 14.162 ( -1.304 -7.973 0.507) 8.094 14.562 ( 2.742 -7.984 -1.407) 8.559 14.617 ( -2.731 -10.912 -3.173) 11.688 15.228 ( 4.367 3.484 -0.337) 5.596 15.329 ( -5.668 5.252 -3.204) 8.365 15.785 ( 3.528 -3.727 3.040) 5.964 15.888 ( -6.522 -4.682 -0.432) 8.040 16.505 ( 4.594 14.028 1.191) 14.809 16.567 ( -1.208 10.528 -0.047) 10.598 16.926 ( 2.508 4.762 -4.046) 6.733 16.992 ( -3.953 3.637 -6.223) 8.221 ======================= Grid point 85 (34/48) ======================= q-point: ( 0.00 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.000 4.835 -3.164) 5.778 1.241 ( 0.000 -2.401 -4.282) 4.909 1.391 ( 0.000 3.302 -11.865) 12.316 1.466 ( 0.000 -5.857 -13.942) 15.122 1.744 ( 0.000 8.462 -10.877) 13.781 1.877 ( 0.000 -0.543 -5.784) 5.810 2.069 ( 0.000 1.653 -1.580) 2.287 2.108 ( 0.000 -0.050 10.292) 10.292 2.282 ( 0.000 0.758 6.961) 7.002 2.350 ( 0.000 -0.351 2.122) 2.151 2.425 ( 0.000 -3.077 1.733) 3.531 2.428 ( 0.000 2.033 1.976) 2.835 2.564 ( 0.000 -3.808 1.452) 4.075 2.601 ( 0.000 -7.302 3.897) 8.277 2.867 ( 0.000 6.045 -1.374) 6.200 2.930 ( 0.000 7.826 -0.508) 7.843 2.934 ( 0.000 6.891 -3.286) 7.635 2.991 ( 0.000 -1.574 -5.060) 5.299 3.037 ( 0.000 2.630 3.089) 4.057 3.103 ( 0.000 -7.804 3.140) 8.412 3.216 ( 0.000 -5.010 5.876) 7.722 3.231 ( 0.000 -1.500 0.533) 1.592 3.398 ( 0.000 5.920 -1.213) 6.043 3.464 ( 0.000 3.443 -1.009) 3.588 3.535 ( 0.000 -2.946 -8.384) 8.887 3.633 ( 0.000 -7.735 -9.750) 12.445 3.788 ( 0.000 5.706 2.557) 6.253 3.853 ( 0.000 2.253 -2.296) 3.217 3.980 ( 0.000 6.332 0.941) 6.402 4.010 ( 0.000 -1.192 5.261) 5.394 4.058 ( 0.000 5.148 4.309) 6.714 4.177 ( 0.000 0.743 6.591) 6.633 4.271 ( 0.000 -0.075 -3.476) 3.477 4.322 ( 0.000 -2.664 -9.184) 9.563 4.385 ( 0.000 -3.982 -0.566) 4.022 4.409 ( 0.000 -13.225 0.470) 13.233 4.499 ( 0.000 0.861 -5.875) 5.938 4.548 ( 0.000 -3.887 -6.912) 7.930 4.550 ( 0.000 1.462 -0.624) 1.589 4.612 ( 0.000 -4.205 -2.528) 4.906 5.047 ( 0.000 4.075 -1.563) 4.365 5.064 ( 0.000 4.607 0.611) 4.647 5.095 ( 0.000 3.676 -0.638) 3.731 5.129 ( 0.000 0.492 2.000) 2.060 5.147 ( 0.000 2.728 2.627) 3.787 5.218 ( 0.000 -3.447 3.682) 5.044 5.285 ( 0.000 0.979 -1.612) 1.886 5.364 ( 0.000 -6.598 -0.292) 6.605 5.546 ( 0.000 13.557 -2.088) 13.717 5.594 ( 0.000 3.251 2.376) 4.027 5.614 ( 0.000 -0.518 5.901) 5.924 5.667 ( 0.000 0.519 0.471) 0.701 5.677 ( 0.000 -0.872 -2.165) 2.334 5.857 ( 0.000 -12.232 -3.682) 12.774 5.903 ( 0.000 5.758 6.293) 8.530 5.948 ( 0.000 3.982 -2.861) 4.903 5.963 ( 0.000 6.142 -2.221) 6.532 6.075 ( 0.000 -5.551 1.293) 5.700 6.211 ( 0.000 0.626 12.487) 12.503 6.257 ( 0.000 0.273 1.973) 1.992 6.278 ( 0.000 -0.052 9.509) 9.509 6.421 ( 0.000 -5.582 -4.311) 7.053 6.465 ( 0.000 1.582 1.550) 2.214 6.586 ( 0.000 -4.124 2.654) 4.905 6.808 ( 0.000 -2.996 2.436) 3.861 6.815 ( 0.000 -0.764 9.320) 9.351 6.967 ( 0.000 10.287 3.528) 10.875 7.044 ( 0.000 7.596 7.024) 10.346 7.129 ( 0.000 -2.262 -2.628) 3.468 7.154 ( 0.000 22.128 2.069) 22.224 7.242 ( 0.000 -7.077 5.954) 9.248 7.398 ( 0.000 21.784 0.112) 21.784 7.484 ( 0.000 3.202 -4.650) 5.646 7.520 ( 0.000 -3.919 -4.975) 6.333 7.772 ( 0.000 -2.356 5.849) 6.305 7.773 ( 0.000 -23.406 5.873) 24.132 7.990 ( 0.000 0.491 2.618) 2.663 8.029 ( 0.000 5.032 -2.838) 5.777 8.053 ( 0.000 1.805 3.184) 3.660 8.124 ( 0.000 -2.566 2.468) 3.561 8.124 ( 0.000 -7.746 -3.043) 8.322 8.192 ( 0.000 -17.760 -9.365) 20.078 8.319 ( 0.000 7.433 -2.801) 7.943 8.514 ( 0.000 -10.981 -3.442) 11.508 8.701 ( 0.000 0.532 -3.803) 3.840 8.715 ( 0.000 -0.747 -3.672) 3.747 9.169 ( 0.000 4.280 -8.753) 9.743 9.258 ( 0.000 -4.693 -11.260) 12.198 9.656 ( 0.000 16.997 0.705) 17.012 9.728 ( 0.000 8.766 -0.096) 8.766 9.849 ( 0.000 -3.224 -0.290) 3.237 9.892 ( 0.000 -5.310 1.378) 5.486 10.014 ( 0.000 14.705 -0.359) 14.709 10.206 ( 0.000 6.843 -2.922) 7.441 10.342 ( 0.000 12.136 -1.342) 12.210 10.447 ( 0.000 0.199 -5.150) 5.153 10.540 ( 0.000 -1.123 3.560) 3.733 10.579 ( 0.000 -6.315 2.532) 6.804 10.609 ( 0.000 -12.556 5.739) 13.805 10.655 ( 0.000 -11.511 4.186) 12.249 10.740 ( 0.000 -4.721 4.174) 6.302 10.761 ( 0.000 -4.290 4.518) 6.230 11.385 ( 0.000 14.818 1.304) 14.875 11.483 ( 0.000 6.884 -2.862) 7.455 11.575 ( 0.000 11.400 -4.294) 12.182 11.617 ( 0.000 9.672 -1.441) 9.779 11.864 ( 0.000 -10.181 -0.991) 10.229 11.897 ( 0.000 -16.120 -4.251) 16.671 12.147 ( 0.000 -2.290 0.655) 2.382 12.264 ( 0.000 -6.179 4.345) 7.553 12.271 ( 0.000 -4.511 -1.456) 4.741 12.412 ( 0.000 -12.725 3.542) 13.209 12.596 ( 0.000 2.526 -7.948) 8.340 12.650 ( 0.000 -3.579 -8.489) 9.213 13.332 ( 0.000 -0.490 2.061) 2.119 13.347 ( 0.000 -1.841 3.586) 4.031 13.580 ( 0.000 7.301 2.506) 7.720 13.590 ( 0.000 3.288 -1.434) 3.587 13.816 ( 0.000 0.285 3.799) 3.809 13.916 ( 0.000 -5.905 10.844) 12.347 14.141 ( 0.000 13.552 -3.453) 13.985 14.199 ( 0.000 1.681 6.945) 7.145 14.323 ( 0.000 -10.338 1.033) 10.389 14.423 ( 0.000 -14.385 -4.217) 14.990 15.188 ( 0.000 7.403 3.838) 8.339 15.345 ( 0.000 -7.470 -0.005) 7.470 15.822 ( 0.000 4.066 2.103) 4.577 15.933 ( 0.000 -6.737 -0.489) 6.754 16.718 ( 0.000 10.559 -5.295) 11.812 16.724 ( 0.000 8.120 -5.261) 9.676 16.972 ( 0.000 2.788 -0.508) 2.834 17.068 ( 0.000 -5.300 -4.524) 6.968 ======================= Grid point 86 (35/48) ======================= q-point: ( 0.20 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 11.370 7.138 -3.899) 13.980 1.415 ( 15.084 -4.847 -4.664) 16.516 1.447 ( 5.654 2.721 -10.949) 12.620 1.516 ( 4.768 -4.627 -12.393) 14.061 1.784 ( 2.918 6.637 -8.897) 11.477 1.863 ( -0.754 1.298 -4.675) 4.910 2.053 ( -3.758 2.250 4.011) 5.939 2.108 ( 1.020 -3.713 -1.980) 4.330 2.255 ( -2.602 1.759 6.765) 7.459 2.315 ( -2.952 -1.049 3.310) 4.557 2.378 ( -2.207 2.702 5.127) 6.202 2.438 ( -3.263 -1.981 -0.484) 3.848 2.541 ( -1.136 0.541 3.890) 4.089 2.642 ( 3.881 -8.495 2.935) 9.790 2.811 ( -3.896 0.928 1.135) 4.163 2.833 ( -6.364 6.476 4.627) 10.190 2.840 ( -6.933 -0.063 -1.069) 7.015 2.962 ( -3.900 -0.845 0.412) 4.012 3.041 ( 3.363 2.898 -3.841) 5.870 3.127 ( -2.216 -2.667 -0.555) 3.512 3.284 ( 3.358 6.352 -5.187) 8.862 3.335 ( 2.454 3.816 -2.350) 5.110 3.388 ( 1.280 0.364 5.338) 5.501 3.434 ( 2.843 -1.943 1.815) 3.892 3.536 ( -0.310 -3.318 -6.527) 7.329 3.565 ( -0.585 -7.285 -5.568) 9.188 3.773 ( -1.507 6.773 -1.332) 7.065 3.867 ( 0.922 -0.398 -1.165) 1.538 4.006 ( 3.686 7.914 5.984) 10.584 4.063 ( -2.104 6.165 2.747) 7.070 4.109 ( -0.370 2.408 0.644) 2.520 4.185 ( -4.956 -1.925 -1.648) 5.566 4.217 ( -0.147 -5.337 -3.307) 6.280 4.231 ( 0.560 -4.975 -0.476) 5.029 4.337 ( -1.666 -0.572 0.734) 1.908 4.433 ( 1.841 -9.787 0.457) 9.969 4.524 ( 3.036 2.476 -4.045) 5.632 4.588 ( 3.767 -4.431 -4.836) 7.563 4.638 ( 4.594 -1.720 -3.410) 5.974 4.664 ( 2.696 -3.399 -3.479) 5.561 5.019 ( -1.792 3.810 -1.865) 4.605 5.043 ( -1.459 2.460 -1.874) 3.419 5.093 ( -3.784 5.823 1.895) 7.198 5.118 ( 2.284 3.415 0.886) 4.202 5.157 ( 0.324 0.522 -0.797) 1.006 5.219 ( -1.280 -3.609 -1.963) 4.303 5.310 ( 2.603 1.048 3.723) 4.662 5.383 ( 2.323 -4.579 2.266) 5.612 5.530 ( -1.672 6.324 0.909) 6.604 5.575 ( -2.316 1.089 1.928) 3.204 5.617 ( 2.881 5.879 -0.058) 6.547 5.685 ( 0.851 0.254 -0.050) 0.889 5.722 ( 3.385 -2.030 1.594) 4.257 5.838 ( -0.317 -11.373 -2.978) 11.761 5.877 ( -2.051 7.385 -1.204) 7.758 5.956 ( 1.534 1.734 2.717) 3.569 6.010 ( 3.434 5.166 -3.864) 7.308 6.107 ( 1.777 -1.512 2.151) 3.173 6.186 ( -2.824 2.830 12.241) 12.877 6.229 ( -2.577 0.292 5.976) 6.514 6.291 ( 3.152 -5.842 6.188) 9.075 6.362 ( -3.766 -7.287 -0.663) 8.229 6.528 ( 1.960 2.654 -0.574) 3.348 6.603 ( -2.286 -3.957 0.822) 4.643 6.769 ( 1.113 5.156 5.562) 7.665 6.855 ( -4.187 10.055 1.942) 11.064 6.873 ( 2.775 -5.793 2.467) 6.881 7.020 ( -3.395 -3.165 5.164) 6.944 7.136 ( 0.607 12.771 4.825) 13.666 7.192 ( 3.122 16.383 -0.868) 16.701 7.278 ( 0.896 1.803 6.937) 7.223 7.372 ( -1.474 6.258 -1.365) 6.573 7.450 ( -6.426 -2.758 -2.208) 7.333 7.527 ( 3.765 7.868 -2.947) 9.207 7.757 ( -1.087 -7.377 3.618) 8.288 7.813 ( 2.859 -11.451 4.141) 12.508 7.868 ( -8.503 0.454 0.217) 8.518 7.982 ( -2.484 -0.355 0.717) 2.610 8.064 ( -4.243 -2.726 -0.908) 5.124 8.099 ( -5.165 -14.252 -2.838) 15.423 8.125 ( 4.045 1.156 0.072) 4.207 8.224 ( 4.840 -5.520 -1.703) 7.536 8.336 ( -0.112 1.146 -1.397) 1.811 8.476 ( -3.130 -9.449 -2.139) 10.181 8.781 ( 7.047 0.313 -4.937) 8.610 8.797 ( 7.756 -0.912 -6.593) 10.220 9.148 ( -2.270 4.006 -8.634) 9.785 9.228 ( -3.091 -3.956 -10.430) 11.575 9.687 ( 2.698 17.031 0.607) 17.254 9.733 ( 0.309 9.922 -0.063) 9.927 9.873 ( 1.360 -0.602 0.787) 1.683 9.903 ( 1.248 -5.889 1.160) 6.131 10.050 ( 4.175 10.642 0.347) 11.437 10.231 ( 2.779 5.825 -2.441) 6.900 10.282 ( -3.316 11.347 0.356) 11.827 10.472 ( -0.932 -1.545 -1.427) 2.300 10.548 ( 0.341 -5.076 3.867) 6.390 10.571 ( -2.226 -16.210 5.796) 17.358 10.602 ( -1.193 -6.766 3.972) 7.936 10.661 ( 5.294 1.717 3.920) 6.807 10.727 ( -2.400 -1.055 2.886) 3.899 10.837 ( 6.189 -7.096 2.803) 9.824 11.258 ( -9.928 10.731 -1.371) 14.683 11.313 ( -11.519 5.902 -2.875) 13.259 11.628 ( 2.849 12.592 -3.310) 13.328 11.674 ( 1.746 8.576 -1.868) 8.949 11.878 ( 1.475 -10.562 -1.424) 10.760 11.913 ( 1.153 -13.548 -3.934) 14.155 12.175 ( 2.801 -3.484 -0.018) 4.471 12.258 ( -0.433 -10.992 -0.115) 11.001 12.283 ( 1.018 0.411 2.271) 2.523 12.409 ( -0.643 -12.376 1.462) 12.479 12.660 ( 6.071 1.684 -5.613) 8.438 12.696 ( 4.870 -2.089 -6.154) 8.121 13.240 ( -9.987 1.718 3.772) 10.813 13.281 ( -7.500 -2.910 2.326) 8.374 13.570 ( 4.804 5.739 3.255) 8.162 13.642 ( 4.434 -0.677 0.361) 4.500 13.886 ( 5.325 3.873 5.467) 8.558 13.963 ( 2.597 -2.097 3.401) 4.765 14.107 ( -4.019 10.458 1.333) 11.283 14.169 ( -2.326 4.077 1.022) 4.804 14.315 ( -0.570 -12.367 -0.128) 12.380 14.398 ( -2.400 -14.458 -4.266) 15.264 15.246 ( 5.533 7.720 3.489) 10.119 15.388 ( 4.193 -5.315 -0.081) 6.770 15.759 ( -5.832 3.097 2.243) 6.974 15.871 ( -5.877 -7.277 -0.430) 9.364 16.739 ( 1.989 11.044 -4.167) 11.970 16.752 ( 2.369 8.137 -4.067) 9.400 16.959 ( -1.114 1.404 -0.993) 2.049 17.040 ( -2.680 -5.009 -4.239) 7.088 ======================= Grid point 87 (36/48) ======================= q-point: ( 0.40 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 9.824 7.493 -5.455) 13.506 1.571 ( 4.838 3.438 -7.595) 9.638 1.618 ( 5.449 -0.994 -9.417) 10.925 1.682 ( 4.644 -6.503 -7.848) 11.201 1.836 ( 6.431 2.567 -4.838) 8.447 1.889 ( 4.184 0.571 -7.226) 8.370 1.965 ( -4.854 2.260 -2.765) 6.026 2.047 ( -8.006 -5.489 -8.547) 12.934 2.214 ( -0.535 3.835 9.387) 10.154 2.255 ( -3.677 4.515 5.310) 7.881 2.316 ( -1.348 -3.473 8.308) 9.105 2.355 ( -4.280 -3.689 2.894) 6.348 2.569 ( 4.105 5.381 5.787) 8.905 2.658 ( -2.079 -0.889 6.373) 6.762 2.692 ( -4.994 1.734 6.409) 8.308 2.718 ( -5.460 -0.355 3.516) 6.504 2.869 ( 6.671 1.049 -0.210) 6.756 2.924 ( 1.031 -1.775 -0.535) 2.121 3.031 ( -4.424 -2.820 -0.710) 5.294 3.038 ( -5.477 -1.178 0.378) 5.615 3.299 ( 2.491 5.526 -7.761) 9.848 3.335 ( 0.178 6.252 -8.396) 10.470 3.436 ( -0.636 -4.182 -7.676) 8.764 3.471 ( -1.495 -3.454 -8.999) 9.755 3.632 ( 11.275 0.380 3.650) 11.857 3.686 ( 8.474 -3.716 3.710) 9.970 3.764 ( 0.473 5.303 1.568) 5.550 3.849 ( -5.325 -2.241 1.885) 6.077 3.936 ( -4.481 8.445 -2.355) 9.846 3.989 ( -7.170 4.142 1.119) 8.356 4.069 ( -0.000 -3.478 3.429) 4.884 4.107 ( -3.399 -8.147 0.603) 8.848 4.218 ( 3.612 8.106 2.322) 9.173 4.268 ( -1.395 5.949 0.262) 6.116 4.402 ( 5.241 -8.149 -1.359) 9.784 4.459 ( -0.336 -8.657 0.040) 8.663 4.605 ( 4.403 2.086 -3.255) 5.859 4.648 ( 1.615 -1.963 -4.469) 5.142 4.678 ( -0.360 -2.347 -3.224) 4.004 4.684 ( -0.217 -2.390 -4.183) 4.822 4.992 ( -0.357 4.564 -1.153) 4.721 5.015 ( -2.608 5.824 0.255) 6.387 5.051 ( 1.483 -0.258 -2.738) 3.125 5.105 ( -3.652 -1.811 -1.819) 4.464 5.184 ( 3.311 3.762 0.085) 5.012 5.215 ( 0.161 2.621 -0.658) 2.707 5.321 ( 0.179 -3.926 1.911) 4.370 5.391 ( -4.020 -7.214 1.420) 8.380 5.554 ( 3.934 4.123 3.102) 6.489 5.567 ( 2.804 3.153 3.170) 5.278 5.674 ( 1.079 0.449 -0.180) 1.183 5.705 ( -0.428 -0.471 2.916) 2.985 5.756 ( 1.991 0.613 -1.873) 2.801 5.829 ( -3.292 7.633 -3.959) 9.207 5.882 ( 3.942 -6.528 -2.192) 7.935 5.952 ( -2.243 -2.993 -1.738) 4.125 6.086 ( 3.462 4.697 3.538) 6.824 6.126 ( 1.724 1.948 5.596) 6.171 6.161 ( -3.021 2.605 5.070) 6.451 6.189 ( 0.921 2.234 3.728) 4.443 6.286 ( -0.798 -1.347 3.664) 3.984 6.395 ( 3.022 -6.054 1.018) 6.842 6.420 ( -6.272 -0.894 1.815) 6.590 6.526 ( -5.680 -7.484 0.618) 9.416 6.832 ( 3.840 6.145 1.686) 7.439 6.867 ( 1.948 7.185 6.667) 9.994 6.926 ( 3.186 -2.698 0.612) 4.220 6.987 ( -2.057 -3.654 4.805) 6.377 7.145 ( 2.178 15.043 0.897) 15.227 7.227 ( -0.045 8.428 -1.664) 8.591 7.235 ( -2.823 9.232 3.862) 10.398 7.311 ( -6.462 1.156 1.813) 6.810 7.422 ( 6.292 4.056 0.757) 7.525 7.556 ( -4.202 6.921 -2.613) 8.508 7.719 ( -1.477 -2.766 0.776) 3.230 7.739 ( -1.249 -1.568 1.238) 2.356 7.910 ( 4.749 -9.464 3.316) 11.096 7.939 ( -1.201 -5.428 1.512) 5.761 7.960 ( -4.194 -7.260 -1.963) 8.611 8.011 ( -4.632 -10.935 2.398) 12.115 8.213 ( 4.614 1.609 -0.206) 4.891 8.287 ( -1.692 -0.099 0.131) 1.700 8.330 ( 3.045 -7.022 -1.685) 7.838 8.407 ( -3.884 -8.428 -1.825) 9.457 8.937 ( 8.064 1.811 -6.544) 10.542 8.972 ( 9.104 -1.342 -8.453) 12.495 9.075 ( -5.215 2.861 -7.951) 9.929 9.134 ( -6.564 -2.807 -9.326) 11.744 9.730 ( 1.118 16.043 0.422) 16.088 9.737 ( 0.100 14.197 -0.089) 14.197 9.897 ( 1.650 -2.026 1.283) 2.911 9.921 ( -0.191 -5.333 0.472) 5.357 10.160 ( 5.538 8.367 2.485) 10.337 10.231 ( -2.307 10.418 2.162) 10.888 10.324 ( 6.488 5.162 2.134) 8.561 10.444 ( -3.578 6.523 5.083) 9.010 10.503 ( -0.429 -12.323 1.159) 12.385 10.548 ( 0.605 -16.063 6.613) 17.381 10.570 ( -3.570 -7.820 2.817) 9.046 10.624 ( -5.767 -5.230 5.359) 9.452 10.835 ( 9.894 9.149 -0.642) 13.491 10.959 ( 4.628 -0.562 -0.392) 4.678 11.057 ( -8.081 4.738 -2.375) 9.664 11.128 ( -7.885 -0.107 -2.039) 8.145 11.660 ( 0.781 12.086 -2.435) 12.354 11.674 ( -0.820 10.437 -1.581) 10.587 11.911 ( 1.512 -11.921 -2.320) 12.239 11.927 ( 0.006 -12.939 -3.290) 13.351 12.234 ( 2.403 -2.733 -0.505) 3.674 12.262 ( 0.027 -2.655 1.983) 3.314 12.304 ( 2.338 -8.868 -2.479) 9.500 12.372 ( -3.278 -11.403 -1.494) 11.958 12.810 ( 9.159 1.816 -0.690) 9.363 12.846 ( 10.152 -1.718 -1.964) 10.482 13.018 ( -11.471 2.012 2.642) 11.942 13.074 ( -12.099 -3.489 1.005) 12.633 13.728 ( 9.600 6.166 3.489) 11.931 13.787 ( 8.577 0.943 2.836) 9.082 13.898 ( -4.280 4.974 5.090) 8.305 13.975 ( -7.588 -0.627 5.741) 9.535 14.041 ( 4.029 8.104 -4.189) 9.972 14.118 ( -3.250 5.327 -3.630) 7.219 14.314 ( 0.715 -15.167 -2.798) 15.439 14.346 ( -2.471 -14.872 -4.113) 15.627 15.380 ( 7.516 9.832 2.009) 12.537 15.472 ( 1.436 5.942 -0.890) 6.177 15.648 ( -2.447 -6.263 3.316) 7.497 15.732 ( -7.634 -9.474 0.664) 12.185 16.782 ( 1.900 11.646 -2.073) 11.981 16.793 ( 1.117 10.527 -1.933) 10.761 16.944 ( 0.196 -2.706 -2.666) 3.803 16.979 ( -3.034 -4.707 -3.804) 6.770 ======================= Grid point 105 (37/48) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.000 0.000 7.630) 7.630 1.275 ( 0.000 0.000 6.033) 6.033 1.390 ( 0.000 0.000 4.542) 4.542 1.489 ( 0.000 0.000 -7.244) 7.244 1.659 ( 0.000 0.000 14.519) 14.519 1.878 ( 0.000 0.000 0.007) 0.007 1.884 ( 0.000 0.000 -7.593) 7.593 1.937 ( 0.000 0.000 -3.423) 3.423 2.127 ( 0.000 0.000 7.958) 7.958 2.353 ( 0.000 0.000 -10.789) 10.789 2.359 ( 0.000 0.000 -1.609) 1.609 2.413 ( 0.000 0.000 12.170) 12.170 2.441 ( 0.000 0.000 -9.587) 9.587 2.580 ( 0.000 0.000 -4.402) 4.402 2.687 ( 0.000 0.000 2.983) 2.983 2.764 ( 0.000 0.000 -4.691) 4.691 2.881 ( 0.000 0.000 4.345) 4.345 2.990 ( 0.000 0.000 0.238) 0.238 3.030 ( 0.000 0.000 3.937) 3.937 3.125 ( 0.000 0.000 -5.567) 5.567 3.151 ( 0.000 0.000 5.490) 5.490 3.313 ( 0.000 0.000 0.580) 0.580 3.324 ( 0.000 0.000 1.754) 1.754 3.331 ( 0.000 0.000 -9.922) 9.922 3.403 ( 0.000 0.000 -5.666) 5.666 3.434 ( 0.000 0.000 -11.750) 11.750 3.809 ( 0.000 0.000 4.100) 4.100 3.833 ( 0.000 0.000 15.888) 15.888 3.873 ( 0.000 0.000 -3.580) 3.580 4.108 ( 0.000 0.000 -8.743) 8.743 4.261 ( 0.000 0.000 -1.218) 1.218 4.337 ( 0.000 0.000 -5.120) 5.120 4.372 ( 0.000 0.000 6.976) 6.976 4.418 ( 0.000 0.000 8.359) 8.359 4.530 ( 0.000 0.000 1.051) 1.051 4.576 ( 0.000 0.000 6.867) 6.867 4.664 ( 0.000 0.000 -2.964) 2.964 4.684 ( 0.000 0.000 -2.412) 2.412 4.733 ( 0.000 0.000 -2.991) 2.991 4.800 ( 0.000 0.000 -8.628) 8.628 4.888 ( 0.000 0.000 -1.672) 1.672 4.927 ( 0.000 0.000 4.463) 4.463 4.947 ( 0.000 0.000 -5.023) 5.023 5.040 ( 0.000 0.000 -5.545) 5.545 5.151 ( 0.000 0.000 6.629) 6.629 5.219 ( 0.000 0.000 4.083) 4.083 5.260 ( 0.000 0.000 -4.429) 4.429 5.280 ( 0.000 0.000 -2.053) 2.053 5.432 ( 0.000 0.000 1.616) 1.616 5.443 ( 0.000 0.000 4.515) 4.515 5.486 ( 0.000 0.000 -2.781) 2.781 5.565 ( 0.000 0.000 -6.555) 6.555 5.631 ( 0.000 0.000 1.891) 1.891 5.664 ( 0.000 0.000 0.195) 0.195 5.897 ( 0.000 0.000 15.942) 15.942 5.914 ( 0.000 0.000 4.042) 4.042 5.995 ( 0.000 0.000 3.286) 3.286 6.044 ( 0.000 0.000 -2.610) 2.610 6.046 ( 0.000 0.000 -7.665) 7.665 6.060 ( 0.000 0.000 6.112) 6.112 6.192 ( 0.000 0.000 -6.658) 6.658 6.234 ( 0.000 0.000 -16.770) 16.770 6.428 ( 0.000 0.000 10.734) 10.734 6.540 ( 0.000 0.000 3.692) 3.692 6.585 ( 0.000 0.000 -0.975) 0.975 6.587 ( 0.000 0.000 -4.649) 4.649 6.971 ( 0.000 0.000 10.316) 10.316 7.028 ( 0.000 0.000 3.292) 3.292 7.201 ( 0.000 0.000 12.858) 12.858 7.306 ( 0.000 0.000 3.388) 3.388 7.375 ( 0.000 0.000 -1.335) 1.335 7.391 ( 0.000 0.000 -2.589) 2.589 7.564 ( 0.000 0.000 -3.173) 3.173 7.568 ( 0.000 0.000 -4.754) 4.754 7.729 ( 0.000 0.000 3.894) 3.894 7.828 ( 0.000 0.000 -6.677) 6.677 7.924 ( 0.000 0.000 2.575) 2.575 7.926 ( 0.000 0.000 3.161) 3.161 8.084 ( 0.000 0.000 3.132) 3.132 8.152 ( 0.000 0.000 -5.401) 5.401 8.394 ( 0.000 0.000 11.701) 11.701 8.617 ( 0.000 0.000 3.457) 3.457 8.659 ( 0.000 0.000 -14.338) 14.338 8.688 ( 0.000 0.000 -4.032) 4.032 8.789 ( 0.000 0.000 1.042) 1.042 8.812 ( 0.000 0.000 -0.818) 0.818 9.110 ( 0.000 0.000 -0.011) 0.011 9.149 ( 0.000 0.000 -4.345) 4.345 9.238 ( 0.000 0.000 2.322) 2.322 9.332 ( 0.000 0.000 -7.607) 7.607 9.422 ( 0.000 0.000 0.314) 0.314 9.454 ( 0.000 0.000 -3.990) 3.990 10.048 ( 0.000 0.000 6.757) 6.757 10.127 ( 0.000 0.000 -1.538) 1.538 10.285 ( 0.000 0.000 4.819) 4.819 10.386 ( 0.000 0.000 -5.681) 5.681 10.436 ( 0.000 0.000 7.107) 7.107 10.570 ( 0.000 0.000 -6.638) 6.638 10.652 ( 0.000 0.000 4.109) 4.109 10.727 ( 0.000 0.000 -4.083) 4.083 10.930 ( 0.000 0.000 4.948) 4.948 11.053 ( 0.000 0.000 -7.385) 7.385 11.075 ( 0.000 0.000 2.923) 2.923 11.078 ( 0.000 0.000 3.038) 3.038 11.385 ( 0.000 0.000 8.782) 8.782 11.510 ( 0.000 0.000 -4.094) 4.094 12.194 ( 0.000 0.000 3.782) 3.782 12.283 ( 0.000 0.000 -3.408) 3.408 12.358 ( 0.000 0.000 2.353) 2.353 12.432 ( 0.000 0.000 -5.378) 5.378 12.469 ( 0.000 0.000 -0.215) 0.215 12.479 ( 0.000 0.000 1.177) 1.177 13.131 ( 0.000 0.000 -0.399) 0.399 13.156 ( 0.000 0.000 7.503) 7.503 13.191 ( 0.000 0.000 -6.000) 6.000 13.260 ( 0.000 0.000 -2.991) 2.991 13.485 ( 0.000 0.000 2.511) 2.511 13.546 ( 0.000 0.000 -3.311) 3.311 14.246 ( 0.000 0.000 14.552) 14.552 14.357 ( 0.000 0.000 2.359) 2.359 14.371 ( 0.000 0.000 5.010) 5.010 14.474 ( 0.000 0.000 0.097) 0.097 14.479 ( 0.000 0.000 -6.070) 6.070 14.612 ( 0.000 0.000 -14.153) 14.153 15.455 ( 0.000 0.000 3.572) 3.572 15.521 ( 0.000 0.000 -3.227) 3.227 15.645 ( 0.000 0.000 5.817) 5.817 15.747 ( 0.000 0.000 -3.659) 3.659 16.235 ( 0.000 0.000 0.821) 0.821 16.298 ( 0.000 0.000 -6.475) 6.475 16.626 ( 0.000 0.000 0.178) 0.178 16.630 ( 0.000 0.000 -0.204) 0.204 ======================= Grid point 106 (38/48) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 5.352 0.000 9.530) 10.930 1.344 ( 7.952 0.000 4.200) 8.993 1.391 ( 0.409 0.000 3.504) 3.528 1.458 ( -1.405 0.000 -4.772) 4.974 1.707 ( 3.524 0.000 10.841) 11.399 1.913 ( 2.455 0.000 3.153) 3.996 1.931 ( 1.887 0.000 -10.865) 11.027 1.999 ( 3.099 0.000 -0.364) 3.120 2.092 ( -1.654 0.000 1.889) 2.511 2.306 ( -4.605 0.000 -13.327) 14.100 2.317 ( -0.879 0.000 5.897) 5.962 2.416 ( -1.964 0.000 7.673) 7.920 2.495 ( 3.408 0.000 -10.882) 11.403 2.528 ( -5.201 0.000 -5.026) 7.232 2.685 ( -0.439 0.000 5.509) 5.526 2.734 ( -9.434 0.000 9.213) 13.187 2.802 ( 3.124 0.000 -6.140) 6.889 2.943 ( -8.939 0.000 -9.947) 13.373 2.968 ( -3.596 0.000 3.007) 4.688 3.066 ( -4.635 0.000 -7.029) 8.420 3.104 ( 0.945 0.000 9.064) 9.113 3.290 ( -2.230 0.000 -8.638) 8.921 3.382 ( 6.013 0.000 2.260) 6.424 3.410 ( 6.686 0.000 1.031) 6.765 3.468 ( 5.317 0.000 -4.629) 7.050 3.475 ( 6.106 0.000 -5.850) 8.456 3.719 ( -7.808 0.000 6.294) 10.029 3.770 ( -4.739 0.000 13.250) 14.072 3.835 ( -4.576 0.000 -5.113) 6.862 4.022 ( -8.998 0.000 -12.735) 15.593 4.304 ( 6.306 0.000 5.478) 8.353 4.339 ( -3.224 0.000 6.544) 7.295 4.393 ( 2.894 0.000 -3.071) 4.220 4.425 ( -5.332 0.000 -2.036) 5.708 4.610 ( 2.711 0.000 7.102) 7.602 4.633 ( 7.292 0.000 8.679) 11.336 4.732 ( -4.165 0.000 -3.571) 5.487 4.736 ( 4.851 0.000 -3.258) 5.844 4.745 ( 4.257 0.000 -0.360) 4.272 4.822 ( 8.099 0.000 -3.502) 8.824 4.890 ( -3.669 0.000 3.431) 5.023 4.955 ( 5.155 0.000 1.609) 5.400 5.003 ( -3.434 0.000 -5.656) 6.617 5.030 ( -3.932 0.000 7.629) 8.583 5.049 ( 8.348 0.000 -6.854) 10.801 5.208 ( -0.468 0.000 -9.158) 9.170 5.235 ( 1.830 0.000 3.491) 3.941 5.298 ( 1.860 0.000 -2.971) 3.505 5.428 ( -0.869 0.000 2.610) 2.751 5.466 ( 0.944 0.000 0.676) 1.161 5.528 ( 1.990 0.000 -2.965) 3.571 5.563 ( 3.014 0.000 -1.811) 3.517 5.618 ( -1.358 0.000 3.451) 3.709 5.651 ( -0.989 0.000 0.855) 1.307 5.841 ( -6.195 0.000 3.457) 7.094 5.862 ( -3.942 0.000 6.204) 7.351 5.918 ( -8.657 0.000 -1.375) 8.766 6.013 ( 1.463 0.000 -0.953) 1.746 6.032 ( -8.618 0.000 -9.448) 12.788 6.091 ( 1.296 0.000 -6.044) 6.181 6.174 ( 9.147 0.000 10.474) 13.906 6.381 ( 6.803 0.000 -9.761) 11.898 6.458 ( 2.499 0.000 10.524) 10.816 6.586 ( 4.587 0.000 4.011) 6.093 6.596 ( -0.094 0.000 -2.826) 2.827 6.653 ( 5.376 0.000 -3.008) 6.160 7.001 ( 3.430 0.000 9.498) 10.099 7.070 ( 3.462 0.000 3.315) 4.793 7.165 ( -7.518 0.000 7.035) 10.296 7.226 ( -12.769 0.000 -1.035) 12.811 7.254 ( -2.262 0.000 9.062) 9.340 7.400 ( -0.463 0.000 -1.869) 1.925 7.532 ( -2.285 0.000 -3.159) 3.899 7.567 ( -0.876 0.000 -4.710) 4.791 7.721 ( -0.354 0.000 2.792) 2.814 7.806 ( -2.135 0.000 -6.438) 6.782 7.844 ( -4.225 0.000 2.751) 5.042 7.906 ( 0.359 0.000 -0.657) 0.748 8.038 ( -4.288 0.000 3.328) 5.428 8.138 ( -2.802 0.000 -6.129) 6.740 8.488 ( 7.153 0.000 9.609) 11.979 8.613 ( 0.076 0.000 3.228) 3.229 8.681 ( 3.234 0.000 -5.000) 5.955 8.686 ( -0.658 0.000 -4.223) 4.274 8.829 ( 2.470 0.000 -3.198) 4.040 8.871 ( 3.144 0.000 -6.183) 6.936 9.109 ( 2.312 0.000 4.251) 4.839 9.205 ( 3.557 0.000 -4.785) 5.962 9.306 ( 7.180 0.000 4.716) 8.591 9.414 ( -0.654 0.000 -0.065) 0.657 9.433 ( 9.499 0.000 -8.475) 12.730 9.441 ( -1.229 0.000 -3.772) 3.968 9.984 ( -7.042 0.000 8.723) 11.210 10.117 ( -2.777 0.000 -4.801) 5.547 10.303 ( 1.664 0.000 4.832) 5.110 10.382 ( -0.366 0.000 -0.857) 0.932 10.464 ( 2.484 0.000 1.942) 3.153 10.555 ( -8.942 0.000 1.699) 9.102 10.568 ( -0.219 0.000 -6.248) 6.252 10.580 ( -5.802 0.000 -0.601) 5.833 11.053 ( 6.727 0.000 1.545) 6.902 11.077 ( 0.847 0.000 4.577) 4.655 11.110 ( 2.239 0.000 1.740) 2.836 11.111 ( 3.833 0.000 -4.296) 5.758 11.369 ( -1.174 0.000 7.750) 7.839 11.486 ( -2.385 0.000 -3.997) 4.655 12.151 ( -2.622 0.000 1.606) 3.075 12.213 ( -5.210 0.000 -4.636) 6.974 12.401 ( 4.935 0.000 4.909) 6.960 12.519 ( 8.076 0.000 -7.317) 10.897 12.539 ( 10.264 0.000 9.280) 13.837 12.678 ( 12.767 0.000 -5.663) 13.967 13.039 ( -10.250 0.000 9.359) 13.880 13.118 ( -1.527 0.000 -0.229) 1.544 13.159 ( -3.554 0.000 -3.737) 5.157 13.194 ( -7.195 0.000 -6.486) 9.687 13.533 ( 4.874 0.000 2.482) 5.470 13.595 ( 5.306 0.000 -3.403) 6.304 14.135 ( -10.141 0.000 13.635) 16.993 14.321 ( -8.391 0.000 -4.109) 9.343 14.414 ( 3.931 0.000 4.785) 6.193 14.447 ( 0.531 0.000 4.498) 4.530 14.506 ( 2.093 0.000 -4.679) 5.126 14.584 ( -1.774 0.000 -10.720) 10.866 15.456 ( 0.116 0.000 2.916) 2.918 15.479 ( -10.549 0.000 5.720) 12.000 15.510 ( -1.057 0.000 -2.682) 2.882 15.618 ( -11.056 0.000 -7.623) 13.429 16.373 ( 9.930 0.000 0.294) 9.934 16.410 ( 7.915 0.000 -3.594) 8.692 16.626 ( 0.051 0.000 0.145) 0.154 16.629 ( -0.018 0.000 -0.165) 0.166 ======================= Grid point 107 (39/48) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 2.099 0.000 0.231) 2.111 1.446 ( -0.519 0.000 -3.276) 3.317 1.473 ( 12.386 0.000 9.769) 15.775 1.547 ( 9.932 0.000 2.945) 10.359 1.778 ( 4.130 0.000 4.906) 6.413 1.870 ( -10.381 0.000 11.785) 15.705 1.880 ( -5.777 0.000 -5.257) 7.811 1.890 ( -7.007 0.000 9.577) 11.867 2.180 ( 4.768 0.000 -14.551) 15.312 2.219 ( -2.360 0.000 -15.120) 15.303 2.330 ( -1.228 0.000 -0.683) 1.405 2.387 ( 6.763 0.000 7.758) 10.292 2.416 ( -6.187 0.000 -8.521) 10.530 2.507 ( -3.748 0.000 -0.409) 3.771 2.653 ( 0.515 0.000 7.510) 7.528 2.702 ( 3.855 0.000 -1.787) 4.249 2.743 ( -8.716 0.000 -1.974) 8.937 2.802 ( -4.407 0.000 -7.938) 9.079 2.958 ( 2.479 0.000 -0.104) 2.481 3.002 ( -1.860 0.000 -4.807) 5.155 3.175 ( 4.589 0.000 1.604) 4.861 3.247 ( -2.401 0.000 -4.520) 5.118 3.526 ( 4.616 0.000 0.208) 4.621 3.562 ( 2.442 0.000 -3.278) 4.087 3.568 ( 7.781 0.000 9.860) 12.561 3.596 ( -0.476 0.000 3.471) 3.504 3.641 ( 6.545 0.000 -2.425) 6.980 3.710 ( 0.747 0.000 5.646) 5.696 3.742 ( -1.086 0.000 -5.751) 5.852 3.830 ( -9.450 0.000 -6.599) 11.526 4.174 ( -11.877 0.000 4.936) 12.862 4.206 ( -12.705 0.000 1.511) 12.795 4.416 ( 3.549 0.000 2.352) 4.258 4.436 ( 1.225 0.000 0.430) 1.298 4.622 ( 0.530 0.000 5.762) 5.787 4.664 ( -2.589 0.000 2.003) 3.274 4.677 ( 4.665 0.000 9.113) 10.237 4.781 ( -4.671 0.000 7.797) 9.089 4.851 ( 3.790 0.000 -8.557) 9.359 4.926 ( 6.114 0.000 -1.794) 6.372 4.929 ( -3.859 0.000 -6.904) 7.909 4.945 ( 2.871 0.000 -2.658) 3.913 5.051 ( 4.906 0.000 1.052) 5.018 5.078 ( 3.194 0.000 1.554) 3.552 5.197 ( 7.098 0.000 -0.478) 7.114 5.272 ( 1.903 0.000 -1.893) 2.684 5.289 ( 3.276 0.000 1.374) 3.552 5.329 ( 0.084 0.000 -3.192) 3.193 5.402 ( -0.748 0.000 -5.822) 5.870 5.435 ( -3.000 0.000 -5.174) 5.981 5.605 ( 1.408 0.000 6.241) 6.398 5.615 ( 6.893 0.000 3.217) 7.607 5.642 ( -0.013 0.000 2.097) 2.097 5.680 ( 7.105 0.000 -0.992) 7.174 5.722 ( -4.873 0.000 2.627) 5.536 5.748 ( -7.120 0.000 0.787) 7.164 5.765 ( -5.027 0.000 0.561) 5.058 5.864 ( -8.637 0.000 -6.876) 11.040 6.053 ( 2.356 0.000 -4.751) 5.303 6.092 ( -1.239 0.000 -7.362) 7.466 6.374 ( 10.289 0.000 7.791) 12.906 6.465 ( 1.540 0.000 0.139) 1.547 6.511 ( 2.923 0.000 8.059) 8.573 6.568 ( -2.559 0.000 2.547) 3.611 6.680 ( 4.448 0.000 3.715) 5.796 6.763 ( 7.077 0.000 -5.313) 8.850 6.875 ( -16.370 0.000 5.067) 17.137 6.964 ( -12.947 0.000 -4.145) 13.594 7.086 ( 4.163 0.000 7.942) 8.967 7.123 ( 0.876 0.000 5.574) 5.643 7.290 ( 3.839 0.000 7.075) 8.049 7.364 ( -3.149 0.000 1.284) 3.401 7.502 ( -0.007 0.000 -4.666) 4.666 7.533 ( -2.379 0.000 -5.860) 6.324 7.726 ( 0.904 0.000 0.046) 0.905 7.758 ( -2.356 0.000 -3.618) 4.318 7.833 ( 2.916 0.000 4.847) 5.656 7.921 ( -4.174 0.000 6.089) 7.382 7.974 ( 2.622 0.000 -7.041) 7.514 8.058 ( -4.702 0.000 -7.102) 8.518 8.626 ( 6.631 0.000 8.223) 10.563 8.628 ( 1.391 0.000 0.803) 1.606 8.660 ( -1.745 0.000 -2.469) 3.023 8.718 ( -1.631 0.000 4.938) 5.200 8.863 ( 1.813 0.000 -10.395) 10.552 8.892 ( -0.461 0.000 -8.804) 8.816 9.193 ( 4.591 0.000 3.782) 5.949 9.244 ( -0.220 0.000 -0.948) 0.973 9.405 ( -0.072 0.000 -1.554) 1.556 9.416 ( -1.108 0.000 -3.167) 3.356 9.508 ( 12.910 0.000 7.829) 15.099 9.670 ( 14.155 0.000 -8.939) 16.741 9.775 ( -13.435 0.000 9.479) 16.442 9.952 ( -13.375 0.000 -8.825) 16.024 10.340 ( 1.862 0.000 4.464) 4.837 10.369 ( -1.086 0.000 2.901) 3.097 10.475 ( 0.499 0.000 2.622) 2.669 10.509 ( -2.298 0.000 -0.770) 2.424 10.517 ( 2.653 0.000 -2.604) 3.717 10.556 ( -1.223 0.000 -5.005) 5.152 11.107 ( 2.006 0.000 5.914) 6.245 11.136 ( -0.258 0.000 3.825) 3.834 11.139 ( 2.323 0.000 -0.001) 2.323 11.156 ( 0.576 0.000 -1.720) 1.814 11.367 ( 1.588 0.000 2.468) 2.935 11.424 ( -3.589 0.000 -2.669) 4.472 12.119 ( -0.498 0.000 -1.150) 1.253 12.136 ( -2.378 0.000 -2.950) 3.789 12.551 ( 10.033 0.000 8.126) 12.911 12.695 ( 5.035 0.000 -3.904) 6.371 12.783 ( 13.507 0.000 9.101) 16.287 12.836 ( -5.300 0.000 4.479) 6.939 12.913 ( 9.626 0.000 -4.968) 10.833 12.998 ( -11.973 0.000 -9.332) 15.181 13.027 ( -8.636 0.000 3.037) 9.154 13.070 ( -4.993 0.000 -2.532) 5.598 13.672 ( 9.414 0.000 4.598) 10.477 13.766 ( 12.298 0.000 -4.246) 13.010 13.896 ( -13.021 0.000 9.884) 16.347 14.054 ( -16.162 0.000 -4.893) 16.886 14.494 ( 3.523 0.000 2.630) 4.397 14.496 ( 3.218 0.000 1.064) 3.389 14.531 ( -0.112 0.000 -1.189) 1.194 14.550 ( -2.134 0.000 -4.793) 5.246 15.354 ( -1.525 0.000 -0.209) 1.540 15.420 ( -7.721 0.000 -6.458) 10.066 15.463 ( 0.748 0.000 1.103) 1.333 15.484 ( -1.346 0.000 -1.098) 1.737 16.517 ( 4.099 0.000 -0.351) 4.114 16.525 ( 3.152 0.000 -1.172) 3.363 16.628 ( 0.067 0.000 0.055) 0.087 16.629 ( -0.047 0.000 -0.064) 0.080 ======================= Grid point 110 (40/48) ======================= q-point: ( 0.00 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 0.000 -2.881 5.588) 6.287 1.252 ( 0.000 -1.726 1.182) 2.091 1.469 ( 0.000 4.524 4.131) 6.126 1.522 ( 0.000 1.434 -4.451) 4.676 1.600 ( 0.000 -6.071 16.724) 17.792 1.849 ( 0.000 -1.145 -0.914) 1.465 1.960 ( 0.000 2.781 -7.947) 8.420 1.972 ( 0.000 2.873 -5.145) 5.892 2.155 ( 0.000 1.753 4.272) 4.618 2.271 ( 0.000 0.592 -5.091) 5.125 2.291 ( 0.000 -3.713 -3.430) 5.054 2.376 ( 0.000 1.671 -9.404) 9.551 2.612 ( 0.000 11.348 10.417) 15.404 2.696 ( 0.000 3.545 -1.782) 3.968 2.725 ( 0.000 3.891 2.267) 4.503 2.773 ( 0.000 1.908 -1.408) 2.371 2.866 ( 0.000 -0.656 2.622) 2.703 2.961 ( 0.000 -2.912 -3.622) 4.647 3.070 ( 0.000 -1.852 7.398) 7.626 3.081 ( 0.000 3.870 5.704) 6.893 3.213 ( 0.000 2.891 -4.772) 5.579 3.243 ( 0.000 -8.533 -8.603) 12.117 3.323 ( 0.000 3.957 -1.324) 4.173 3.383 ( 0.000 0.525 -6.399) 6.421 3.453 ( 0.000 9.343 1.615) 9.481 3.528 ( 0.000 7.468 -5.886) 9.509 3.718 ( 0.000 -6.812 1.407) 6.956 3.725 ( 0.000 -5.583 0.877) 5.652 3.937 ( 0.000 2.739 7.388) 7.879 4.128 ( 0.000 1.379 -9.039) 9.144 4.246 ( 0.000 -6.465 4.009) 7.607 4.267 ( 0.000 -2.695 0.100) 2.697 4.383 ( 0.000 -10.034 4.978) 11.201 4.390 ( 0.000 -10.582 1.183) 10.648 4.447 ( 0.000 3.547 2.057) 4.100 4.517 ( 0.000 1.754 -1.409) 2.250 4.633 ( 0.000 -0.237 1.642) 1.659 4.676 ( 0.000 -4.697 -1.553) 4.947 4.699 ( 0.000 -1.933 -2.010) 2.789 4.751 ( 0.000 -2.707 -5.731) 6.338 4.884 ( 0.000 0.925 -1.387) 1.667 4.919 ( 0.000 4.845 -5.267) 7.157 5.031 ( 0.000 1.745 3.893) 4.266 5.088 ( 0.000 -0.074 -0.819) 0.823 5.148 ( 0.000 -3.958 4.624) 6.086 5.196 ( 0.000 -2.408 -0.805) 2.539 5.320 ( 0.000 12.061 0.485) 12.070 5.347 ( 0.000 2.642 -0.741) 2.744 5.385 ( 0.000 -4.475 3.227) 5.517 5.453 ( 0.000 -3.162 -3.601) 4.793 5.560 ( 0.000 9.392 -0.229) 9.395 5.574 ( 0.000 7.219 -2.045) 7.503 5.686 ( 0.000 5.147 -0.339) 5.158 5.698 ( 0.000 3.183 -0.259) 3.194 5.834 ( 0.000 -5.354 13.051) 14.106 5.928 ( 0.000 -1.704 2.502) 3.027 5.987 ( 0.000 0.945 -1.176) 1.509 6.009 ( 0.000 -1.422 -0.035) 1.422 6.042 ( 0.000 6.927 0.186) 6.930 6.179 ( 0.000 -4.684 -13.205) 14.011 6.281 ( 0.000 12.784 0.701) 12.803 6.299 ( 0.000 8.696 -1.216) 8.781 6.545 ( 0.000 -1.699 0.132) 1.704 6.552 ( 0.000 3.809 0.466) 3.837 6.586 ( 0.000 11.731 6.281) 13.306 6.669 ( 0.000 5.411 -0.895) 5.484 6.927 ( 0.000 -7.116 5.750) 9.148 6.945 ( 0.000 -2.081 7.119) 7.417 7.176 ( 0.000 -10.115 0.853) 10.151 7.226 ( 0.000 -8.744 3.148) 9.294 7.282 ( 0.000 0.571 0.518) 0.771 7.367 ( 0.000 -0.331 -1.260) 1.303 7.607 ( 0.000 -1.872 -1.301) 2.280 7.616 ( 0.000 0.242 -2.128) 2.142 7.713 ( 0.000 2.405 2.998) 3.843 7.756 ( 0.000 -0.561 -0.662) 0.868 7.972 ( 0.000 3.935 3.262) 5.111 8.021 ( 0.000 5.371 -1.833) 5.675 8.080 ( 0.000 -0.231 3.444) 3.452 8.145 ( 0.000 -0.872 -5.052) 5.126 8.340 ( 0.000 -5.017 10.015) 11.201 8.574 ( 0.000 -7.739 -13.135) 15.246 8.659 ( 0.000 1.632 0.220) 1.647 8.663 ( 0.000 -2.111 -0.075) 2.113 8.899 ( 0.000 9.024 0.095) 9.025 8.906 ( 0.000 8.445 -1.721) 8.619 9.006 ( 0.000 -14.409 6.318) 15.733 9.069 ( 0.000 -4.480 5.726) 7.270 9.195 ( 0.000 -8.857 -13.379) 16.045 9.209 ( 0.000 1.281 -8.212) 8.311 9.554 ( 0.000 11.818 0.392) 11.824 9.583 ( 0.000 9.725 -2.720) 10.099 10.032 ( 0.000 -1.432 4.364) 4.593 10.108 ( 0.000 -2.766 -3.420) 4.399 10.312 ( 0.000 -0.368 3.153) 3.175 10.345 ( 0.000 -2.160 -0.406) 2.197 10.412 ( 0.000 1.357 6.540) 6.680 10.526 ( 0.000 -1.324 -4.740) 4.921 10.761 ( 0.000 8.164 3.038) 8.711 10.826 ( 0.000 8.157 -3.698) 8.956 11.004 ( 0.000 2.512 2.758) 3.730 11.037 ( 0.000 -0.870 0.413) 0.963 11.133 ( 0.000 8.115 1.543) 8.261 11.161 ( 0.000 7.632 -2.650) 8.079 11.317 ( 0.000 -6.428 7.827) 10.129 11.422 ( 0.000 -8.643 -2.916) 9.122 12.136 ( 0.000 -4.982 3.030) 5.831 12.220 ( 0.000 -5.520 -4.879) 7.367 12.405 ( 0.000 3.226 1.051) 3.393 12.417 ( 0.000 -2.175 1.447) 2.612 12.442 ( 0.000 -3.680 2.276) 4.327 12.484 ( 0.000 0.979 -4.625) 4.727 12.973 ( 0.000 -10.631 -0.314) 10.635 13.011 ( 0.000 -13.280 -4.372) 13.982 13.290 ( 0.000 8.104 6.330) 10.283 13.391 ( 0.000 7.698 -3.275) 8.366 13.488 ( 0.000 0.304 1.441) 1.472 13.523 ( 0.000 -2.419 -1.697) 2.955 14.018 ( 0.000 -16.090 6.003) 17.173 14.098 ( 0.000 -18.513 -2.477) 18.678 14.345 ( 0.000 -7.803 6.109) 9.911 14.418 ( 0.000 -5.478 -2.141) 5.882 14.500 ( 0.000 5.836 5.628) 8.108 14.662 ( 0.000 1.090 -10.174) 10.233 15.368 ( 0.000 -9.790 1.616) 9.923 15.403 ( 0.000 -3.989 -1.719) 4.343 15.938 ( 0.000 12.857 2.858) 13.171 15.938 ( 0.000 21.577 1.915) 21.662 16.168 ( 0.000 -5.840 -1.329) 5.989 16.189 ( 0.000 -3.955 -4.207) 5.774 16.739 ( 0.000 8.877 0.860) 8.919 16.787 ( 0.000 11.126 -4.575) 12.030 ======================= Grid point 111 (41/48) ======================= q-point: ( 0.20 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 5.159 -2.563 5.983) 8.305 1.283 ( 5.763 -1.678 2.023) 6.334 1.496 ( 2.040 4.473 0.475) 4.939 1.523 ( 0.720 4.028 -2.357) 4.722 1.728 ( 10.809 -0.270 11.635) 15.883 1.857 ( 1.555 -2.645 1.035) 3.238 1.993 ( 2.357 0.116 -0.019) 2.360 2.033 ( 1.875 2.554 -8.242) 8.830 2.157 ( -1.044 5.376 1.076) 5.581 2.224 ( -0.601 0.219 3.413) 3.472 2.325 ( -1.861 -1.588 -7.551) 7.937 2.346 ( -0.058 -0.336 -9.872) 9.878 2.563 ( -5.549 7.590 5.543) 10.914 2.641 ( -5.737 4.186 -2.239) 7.447 2.703 ( -5.011 2.037 1.530) 5.622 2.761 ( -3.483 0.741 5.583) 6.622 2.812 ( 0.226 1.931 -3.263) 3.798 2.904 ( -2.715 -2.198 -4.956) 6.063 2.993 ( -4.627 2.279 3.541) 6.256 3.077 ( -0.979 -1.332 5.519) 5.761 3.142 ( -5.790 4.985 -9.004) 11.808 3.211 ( -2.102 -6.839 -6.578) 9.719 3.376 ( 7.189 1.822 1.947) 7.667 3.413 ( 3.546 0.693 -2.249) 4.256 3.514 ( 3.740 4.018 1.105) 5.600 3.573 ( 2.983 3.094 -3.027) 5.257 3.657 ( -2.478 0.643 3.551) 4.377 3.724 ( -1.776 -2.302 -0.417) 2.937 3.892 ( -3.755 3.171 5.031) 7.033 4.058 ( -7.535 2.082 -10.187) 12.841 4.234 ( -2.238 -6.731 4.759) 8.541 4.288 ( -1.721 -8.807 -0.868) 9.015 4.355 ( 1.809 -0.253 5.479) 5.775 4.423 ( 0.172 -1.067 -1.416) 1.781 4.545 ( 9.839 -6.398 5.596) 13.002 4.600 ( 6.851 -8.020 -0.665) 10.569 4.661 ( -1.412 -2.578 3.855) 4.848 4.705 ( 1.374 -2.845 -2.503) 4.030 4.731 ( 1.370 2.482 -0.882) 2.969 4.800 ( 5.544 1.881 -4.017) 7.100 4.888 ( 1.314 -0.691 1.350) 2.007 4.930 ( -0.286 -1.194 -2.656) 2.926 5.001 ( 0.912 0.349 2.007) 2.232 5.050 ( -1.370 -0.224 -1.140) 1.796 5.126 ( -2.170 -1.433 2.060) 3.318 5.166 ( -2.187 -2.184 -2.556) 4.011 5.319 ( 0.722 8.605 -0.771) 8.670 5.338 ( -0.197 6.307 -0.846) 6.367 5.427 ( 3.936 -2.603 3.511) 5.882 5.469 ( 2.886 -3.807 -2.061) 5.203 5.577 ( 1.542 7.653 -0.515) 7.824 5.610 ( 2.977 8.475 -3.198) 9.535 5.691 ( 0.313 4.893 0.308) 4.913 5.696 ( 0.188 4.339 0.337) 4.356 5.799 ( -3.998 -3.936 4.730) 7.338 5.859 ( -6.708 1.514 1.106) 6.965 5.928 ( -5.207 0.570 0.173) 5.241 6.006 ( -1.868 0.308 -5.483) 5.801 6.105 ( 5.260 6.334 1.717) 8.411 6.159 ( 0.547 4.630 -1.257) 4.829 6.260 ( -0.058 9.332 3.305) 9.900 6.365 ( 3.933 -0.750 -6.184) 7.367 6.534 ( 0.514 2.995 3.396) 4.557 6.581 ( 1.904 -0.560 -1.701) 2.614 6.645 ( 4.024 8.096 6.854) 11.346 6.728 ( 3.815 6.677 -0.542) 7.709 6.926 ( 0.296 -7.171 5.390) 8.976 6.956 ( -1.418 -6.504 4.467) 8.017 7.123 ( -5.611 -8.017 -0.816) 9.819 7.148 ( -4.998 -7.475 3.235) 9.556 7.278 ( -0.310 3.818 3.396) 5.119 7.350 ( -2.174 -1.662 -0.155) 2.741 7.594 ( -3.778 2.754 -0.886) 4.759 7.613 ( -0.858 1.225 -2.056) 2.543 7.667 ( -0.511 -2.543 3.003) 3.968 7.729 ( -1.195 -2.510 -1.349) 3.090 7.917 ( -3.924 4.189 0.674) 5.779 7.972 ( -2.241 4.553 -1.918) 5.425 8.035 ( -3.827 -0.193 2.589) 4.624 8.130 ( -2.653 -0.736 -5.498) 6.149 8.451 ( 8.390 -3.804 8.077) 12.252 8.625 ( 4.251 -5.096 -5.714) 8.757 8.675 ( 2.010 2.979 1.129) 3.767 8.698 ( 2.928 -3.261 -3.840) 5.827 8.877 ( -1.522 7.420 0.033) 7.575 8.924 ( -0.058 4.597 -3.908) 6.034 9.046 ( 3.502 -14.218 4.959) 15.460 9.100 ( 2.963 -2.807 5.481) 6.834 9.185 ( -0.135 -10.390 -9.146) 13.842 9.229 ( 0.774 -1.347 -7.689) 7.845 9.599 ( 4.170 12.025 -0.098) 12.728 9.627 ( 5.323 10.712 -2.985) 12.328 10.009 ( -2.932 1.140 4.891) 5.815 10.096 ( -2.074 -2.062 -4.120) 5.053 10.332 ( 1.763 0.051 4.436) 4.774 10.386 ( 3.406 0.990 -0.158) 3.551 10.412 ( 0.223 -1.205 5.596) 5.728 10.528 ( -0.120 -0.481 -5.367) 5.389 10.655 ( -7.872 8.269 1.289) 11.490 10.695 ( -8.663 9.212 -2.796) 12.951 11.031 ( 1.604 -2.189 4.317) 5.100 11.076 ( 2.602 -1.363 0.067) 2.938 11.187 ( 4.013 8.252 0.620) 9.197 11.210 ( 3.238 6.490 -1.735) 7.458 11.303 ( -1.150 -5.539 6.836) 8.873 11.403 ( -1.978 -7.625 -3.121) 8.473 12.109 ( -1.718 -3.686 1.108) 4.215 12.162 ( -4.105 -4.540 -4.300) 7.480 12.442 ( 3.780 2.767 4.004) 6.162 12.480 ( 6.229 -5.144 6.740) 10.521 12.552 ( 9.366 1.746 -4.630) 10.592 12.612 ( 11.068 -6.174 -4.802) 13.553 12.937 ( -3.645 -9.261 2.123) 10.177 12.991 ( -2.338 -11.360 -3.642) 12.157 13.207 ( -7.086 6.047 4.958) 10.553 13.313 ( -7.940 6.532 -4.705) 11.307 13.534 ( 4.612 -0.136 1.554) 4.869 13.570 ( 4.832 -2.099 -1.614) 5.509 13.986 ( -4.155 -12.203 7.226) 14.778 14.081 ( -3.211 -16.819 -2.532) 17.309 14.321 ( -1.519 -8.534 4.678) 9.850 14.379 ( -2.492 -6.452 -0.743) 6.956 14.535 ( 2.489 4.233 2.896) 5.701 14.647 ( -1.347 2.784 -8.004) 8.580 15.319 ( -4.079 -8.673 1.679) 9.730 15.362 ( -3.798 -5.516 -2.379) 7.107 15.762 ( -7.062 14.677 4.103) 16.796 15.856 ( -8.732 15.642 -5.688) 18.795 16.297 ( 10.791 -3.769 3.829) 12.054 16.365 ( 9.545 -0.666 -3.280) 10.114 16.733 ( -0.557 8.531 0.636) 8.572 16.777 ( -0.980 10.316 -4.281) 11.212 ======================= Grid point 112 (42/48) ======================= q-point: ( 0.40 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 8.477 -0.195 2.591) 8.867 1.433 ( 6.472 0.194 -1.944) 6.761 1.535 ( 2.349 1.938 2.334) 3.837 1.564 ( 2.344 2.836 0.224) 3.686 1.867 ( -2.038 -2.094 10.068) 10.484 1.925 ( -8.029 3.118 11.054) 14.014 1.928 ( 7.151 10.255 7.091) 14.373 2.009 ( -1.836 9.394 -4.192) 10.449 2.166 ( 4.721 -1.730 -13.696) 14.590 2.234 ( -1.266 2.058 -9.217) 9.529 2.266 ( -1.844 -2.580 -3.365) 4.624 2.323 ( -6.670 -1.543 -5.775) 8.956 2.453 ( 0.872 3.626 5.464) 6.616 2.533 ( -5.003 0.644 1.554) 5.278 2.629 ( -0.814 -0.264 -0.213) 0.882 2.671 ( -4.798 -2.766 -2.581) 6.110 2.810 ( 2.230 6.473 1.645) 7.041 2.895 ( -4.594 5.566 -3.500) 8.021 2.964 ( 3.132 0.187 -1.999) 3.721 3.013 ( -2.296 0.428 -5.214) 5.714 3.143 ( 2.639 -1.391 -0.623) 3.047 3.183 ( -1.180 -4.884 -3.270) 5.995 3.474 ( 2.142 -3.762 0.812) 4.405 3.501 ( -1.918 -6.620 0.132) 6.893 3.556 ( 6.492 2.410 0.370) 6.935 3.606 ( 1.091 0.065 -2.557) 2.780 3.711 ( 3.367 5.142 4.239) 7.467 3.736 ( 6.293 6.363 1.424) 9.062 3.822 ( -2.353 3.941 1.196) 4.744 3.899 ( -6.950 3.469 -4.514) 8.984 4.129 ( -8.432 -2.541 3.350) 9.422 4.143 ( -8.522 -3.796 1.558) 9.458 4.418 ( 1.490 -1.399 2.545) 3.265 4.428 ( 0.845 -1.665 1.613) 2.468 4.621 ( 2.182 -0.214 5.033) 5.490 4.651 ( -0.509 -1.888 2.967) 3.553 4.696 ( 1.991 -7.224 4.098) 8.541 4.716 ( -0.284 -3.676 2.837) 4.652 4.810 ( 5.034 -0.380 -1.914) 5.399 4.858 ( -0.006 0.573 -3.176) 3.227 4.933 ( 3.103 -0.459 -2.993) 4.336 4.960 ( 1.167 -4.001 -3.753) 5.608 5.034 ( 0.714 -1.121 0.370) 1.380 5.052 ( -0.480 -3.830 -1.186) 4.038 5.099 ( 1.691 -3.356 2.581) 4.558 5.143 ( -1.087 -3.901 -1.480) 4.312 5.334 ( 2.302 3.701 -1.183) 4.516 5.373 ( 0.329 -0.451 -4.138) 4.176 5.505 ( 4.787 5.283 2.412) 7.527 5.577 ( 4.548 2.767 -4.609) 7.042 5.616 ( 3.642 4.742 3.842) 7.107 5.623 ( -2.148 1.322 0.838) 2.658 5.658 ( -3.611 5.662 0.283) 6.721 5.707 ( -0.378 3.021 0.560) 3.096 5.728 ( -3.877 0.972 -1.153) 4.160 5.784 ( 2.944 4.358 -3.392) 6.258 5.815 ( -3.807 5.236 2.440) 6.918 5.924 ( -6.037 5.017 -6.435) 10.150 6.185 ( 2.642 12.277 -1.019) 12.599 6.196 ( 1.605 9.159 -0.926) 9.345 6.340 ( 6.862 -1.239 5.599) 8.942 6.407 ( 0.394 -4.058 0.809) 4.156 6.552 ( 1.529 -0.023 5.638) 5.842 6.606 ( 1.166 2.565 2.130) 3.532 6.705 ( 0.710 1.131 3.058) 3.337 6.764 ( -2.605 -0.216 -1.939) 3.255 6.809 ( -7.240 -2.860 3.021) 8.350 6.854 ( -6.260 -6.664 -2.560) 9.495 7.108 ( 5.945 -0.097 5.142) 7.861 7.159 ( 3.702 -2.609 2.800) 5.325 7.239 ( -4.244 1.498 3.303) 5.582 7.268 ( -5.784 -5.313 0.722) 7.887 7.538 ( 0.363 1.345 0.609) 1.520 7.577 ( -2.434 1.733 -1.670) 3.422 7.699 ( 2.191 -1.625 -0.689) 2.813 7.727 ( -0.275 -2.257 -2.413) 3.315 7.870 ( 0.260 3.116 2.831) 4.219 7.928 ( -4.136 0.780 5.328) 6.790 7.994 ( 1.679 1.784 -6.679) 7.114 8.057 ( -4.077 0.076 -6.708) 7.850 8.596 ( 5.702 -2.671 6.697) 9.192 8.660 ( -0.959 -2.307 2.690) 3.671 8.737 ( 4.133 6.182 -0.022) 7.437 8.788 ( 4.747 0.848 -4.094) 6.325 8.830 ( -2.925 1.976 -2.638) 4.407 8.886 ( -3.479 -1.003 -5.558) 6.633 9.116 ( 3.230 -16.566 0.694) 16.892 9.159 ( 0.170 -10.890 -1.367) 10.977 9.183 ( 1.871 -5.887 -0.684) 6.215 9.227 ( -1.196 -0.660 -2.960) 3.260 9.717 ( 8.118 12.110 2.533) 14.798 9.788 ( 10.200 9.355 -4.404) 14.524 9.896 ( -8.285 7.831 4.701) 12.332 9.993 ( -8.725 2.828 -4.971) 10.432 10.363 ( 1.455 1.183 5.133) 5.465 10.398 ( -1.625 1.510 4.701) 5.198 10.463 ( 2.984 -2.162 -3.295) 4.943 10.496 ( -1.613 -0.414 -4.165) 4.486 10.566 ( -1.014 5.888 0.216) 5.978 10.583 ( -2.823 6.603 -1.074) 7.261 11.069 ( 2.257 -2.695 5.654) 6.658 11.102 ( -0.452 -2.040 3.181) 3.806 11.247 ( 2.072 7.108 -0.214) 7.407 11.260 ( 1.691 6.699 -1.143) 7.003 11.290 ( 0.497 -6.513 2.205) 6.894 11.346 ( -3.675 -6.698 -2.508) 8.041 12.088 ( -0.322 -2.785 -1.328) 3.102 12.102 ( -1.866 -3.144 -2.808) 4.610 12.545 ( 6.080 -2.245 5.630) 8.585 12.595 ( 3.358 -8.623 2.795) 9.666 12.770 ( 8.668 -3.009 1.607) 9.315 12.813 ( 5.638 -3.090 -2.649) 6.953 12.872 ( 2.389 -3.361 2.284) 4.714 12.939 ( 0.046 -5.208 -3.045) 6.033 13.059 ( -7.824 -0.184 0.119) 7.827 13.101 ( -13.103 3.865 -3.870) 14.199 13.661 ( 8.123 -1.236 3.018) 8.754 13.711 ( 9.226 -4.294 -1.287) 10.257 13.848 ( -8.717 -3.546 5.925) 11.121 13.935 ( -10.800 -8.752 -1.953) 14.038 14.321 ( 1.273 -11.940 0.743) 12.031 14.347 ( -1.162 -11.932 -1.653) 12.101 14.580 ( 2.091 4.347 0.859) 4.900 14.617 ( -1.722 4.231 -3.006) 5.468 15.261 ( -0.968 -6.740 -0.236) 6.813 15.286 ( -3.178 -6.717 -2.536) 7.852 15.688 ( -0.842 14.735 0.745) 14.778 15.723 ( -4.414 15.250 -3.003) 16.158 16.464 ( 5.573 -2.327 2.859) 6.681 16.494 ( 2.833 -1.216 -0.171) 3.088 16.726 ( 0.312 8.160 -0.958) 8.222 16.750 ( -1.683 8.767 -3.334) 9.529 ======================= Grid point 115 (43/48) ======================= q-point: ( 0.00 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 -1.904 3.073) 3.615 1.212 ( 0.000 -2.611 -3.286) 4.197 1.413 ( 0.000 -11.207 2.953) 11.590 1.454 ( 0.000 -9.171 -5.474) 10.680 1.538 ( 0.000 2.688 6.969) 7.470 1.795 ( 0.000 -6.307 -12.997) 14.447 1.961 ( 0.000 5.148 5.726) 7.700 2.068 ( 0.000 6.932 -3.347) 7.698 2.279 ( 0.000 9.542 0.679) 9.566 2.359 ( 0.000 5.760 -6.798) 8.910 2.366 ( 0.000 6.799 3.088) 7.467 2.421 ( 0.000 3.035 -0.671) 3.108 2.673 ( 0.000 -3.853 2.956) 4.857 2.718 ( 0.000 -0.664 -0.520) 0.843 2.846 ( 0.000 4.369 2.137) 4.864 2.848 ( 0.000 1.590 0.396) 1.639 2.867 ( 0.000 4.307 -1.158) 4.460 2.871 ( 0.000 -5.075 -0.915) 5.157 3.036 ( 0.000 -3.235 5.215) 6.138 3.097 ( 0.000 3.090 -3.080) 4.363 3.244 ( 0.000 5.831 2.207) 6.234 3.278 ( 0.000 3.476 2.379) 4.212 3.372 ( 0.000 0.143 -0.826) 0.838 3.396 ( 0.000 0.073 -4.367) 4.368 3.574 ( 0.000 -4.263 -3.886) 5.768 3.633 ( 0.000 -3.390 -7.240) 7.994 3.649 ( 0.000 2.005 1.868) 2.740 3.668 ( 0.000 6.688 -0.022) 6.688 3.964 ( 0.000 0.644 6.360) 6.392 4.108 ( 0.000 -3.622 5.370) 6.478 4.114 ( 0.000 -3.067 -9.390) 9.879 4.190 ( 0.000 -2.666 -0.328) 2.686 4.244 ( 0.000 -2.319 1.448) 2.734 4.264 ( 0.000 -1.374 0.737) 1.559 4.480 ( 0.000 -2.482 0.736) 2.589 4.502 ( 0.000 -4.606 -0.389) 4.623 4.572 ( 0.000 -5.234 1.412) 5.421 4.588 ( 0.000 -1.896 0.622) 1.996 4.652 ( 0.000 -2.369 -2.059) 3.139 4.656 ( 0.000 -7.271 -1.689) 7.465 4.961 ( 0.000 4.102 -0.334) 4.115 4.986 ( 0.000 -0.353 -2.859) 2.881 5.043 ( 0.000 2.572 2.106) 3.324 5.088 ( 0.000 2.401 -2.106) 3.194 5.153 ( 0.000 2.794 3.350) 4.362 5.196 ( 0.000 2.961 -1.801) 3.466 5.311 ( 0.000 -1.850 1.441) 2.345 5.320 ( 0.000 1.017 0.550) 1.156 5.536 ( 0.000 6.212 1.087) 6.307 5.548 ( 0.000 6.799 -0.261) 6.804 5.632 ( 0.000 -2.914 2.892) 4.105 5.687 ( 0.000 1.926 -2.040) 2.805 5.718 ( 0.000 -3.188 10.036) 10.530 5.790 ( 0.000 5.868 -0.722) 5.912 5.795 ( 0.000 5.854 -1.233) 5.982 5.915 ( 0.000 -4.887 -5.487) 7.348 6.008 ( 0.000 3.098 2.468) 3.960 6.033 ( 0.000 4.438 -2.535) 5.111 6.097 ( 0.000 -1.026 -3.450) 3.600 6.181 ( 0.000 3.577 -6.761) 7.649 6.516 ( 0.000 2.132 11.017) 11.221 6.532 ( 0.000 9.676 3.920) 10.440 6.569 ( 0.000 16.258 0.289) 16.260 6.641 ( 0.000 8.615 2.034) 8.852 6.725 ( 0.000 -2.596 5.436) 6.024 6.806 ( 0.000 -3.387 -2.772) 4.376 6.842 ( 0.000 5.880 5.679) 8.174 6.896 ( 0.000 -2.748 -0.081) 2.750 7.024 ( 0.000 -1.975 -5.735) 6.066 7.056 ( 0.000 2.233 -2.309) 3.212 7.323 ( 0.000 1.316 6.226) 6.363 7.369 ( 0.000 0.668 -0.264) 0.718 7.489 ( 0.000 -8.061 1.801) 8.260 7.530 ( 0.000 -6.227 -2.705) 6.789 7.813 ( 0.000 5.991 3.104) 6.747 7.851 ( 0.000 7.065 -1.646) 7.254 8.046 ( 0.000 2.836 2.483) 3.770 8.066 ( 0.000 0.230 0.682) 0.720 8.109 ( 0.000 1.892 1.255) 2.271 8.118 ( 0.000 -1.421 -2.684) 3.037 8.212 ( 0.000 -8.280 5.782) 10.100 8.375 ( 0.000 -13.114 -10.359) 16.712 8.549 ( 0.000 -14.613 5.978) 15.789 8.637 ( 0.000 -5.464 -3.663) 6.579 8.705 ( 0.000 -7.913 3.547) 8.672 8.777 ( 0.000 -13.252 -0.946) 13.285 8.999 ( 0.000 1.553 -2.566) 2.999 9.084 ( 0.000 -1.994 -12.511) 12.669 9.294 ( 0.000 20.861 5.788) 21.649 9.408 ( 0.000 16.434 -5.803) 17.429 9.785 ( 0.000 10.664 -0.168) 10.666 9.801 ( 0.000 11.477 -1.899) 11.633 10.007 ( 0.000 -0.157 -0.272) 0.314 10.018 ( 0.000 -5.659 -1.346) 5.817 10.268 ( 0.000 -1.202 3.991) 4.168 10.337 ( 0.000 0.753 -2.891) 2.987 10.514 ( 0.000 6.714 2.796) 7.273 10.545 ( 0.000 3.042 -0.548) 3.091 10.859 ( 0.000 -0.672 3.142) 3.213 10.886 ( 0.000 -3.077 0.913) 3.210 11.031 ( 0.000 -6.774 4.506) 8.136 11.094 ( 0.000 -9.169 -2.170) 9.422 11.170 ( 0.000 4.495 2.269) 5.035 11.185 ( 0.000 4.962 -0.167) 4.964 11.367 ( 0.000 8.322 -0.763) 8.357 11.369 ( 0.000 11.155 -0.928) 11.194 12.017 ( 0.000 -7.120 1.400) 7.256 12.077 ( 0.000 -9.448 -4.787) 10.592 12.323 ( 0.000 -7.716 2.953) 8.262 12.348 ( 0.000 -4.686 1.178) 4.832 12.464 ( 0.000 1.608 -1.101) 1.949 12.475 ( 0.000 -3.242 -1.845) 3.730 12.699 ( 0.000 -16.078 -2.275) 16.238 12.712 ( 0.000 -15.280 -2.121) 15.426 13.417 ( 0.000 -0.473 4.009) 4.037 13.473 ( 0.000 -1.837 -0.465) 1.895 13.498 ( 0.000 5.103 3.012) 5.926 13.508 ( 0.000 2.081 0.882) 2.260 13.833 ( 0.000 -5.915 -2.622) 6.470 13.836 ( 0.000 1.985 -2.621) 3.287 14.231 ( 0.000 -4.351 8.312) 9.382 14.323 ( 0.000 -3.778 -0.600) 3.825 14.513 ( 0.000 -5.531 2.209) 5.956 14.583 ( 0.000 -9.172 -5.045) 10.468 15.234 ( 0.000 -2.173 5.881) 6.270 15.349 ( 0.000 -1.239 -5.744) 5.876 15.942 ( 0.000 -5.800 6.548) 8.747 16.036 ( 0.000 -7.153 -3.061) 7.780 16.355 ( 0.000 19.380 -0.244) 19.382 16.390 ( 0.000 16.469 -3.852) 16.914 16.897 ( 0.000 6.201 1.266) 6.329 16.958 ( 0.000 5.532 -5.309) 7.667 ======================= Grid point 116 (44/48) ======================= q-point: ( 0.20 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 7.471 -0.634 3.005) 8.078 1.274 ( 6.362 -0.129 -2.992) 7.032 1.492 ( 4.158 -5.553 -2.953) 7.540 1.510 ( 7.552 -6.922 -3.525) 10.834 1.674 ( 11.721 -2.555 7.806) 14.313 1.826 ( 1.435 -2.026 -1.295) 2.801 1.972 ( 2.670 -1.092 -4.758) 5.565 2.014 ( -5.036 2.129 -4.780) 7.263 2.275 ( -2.058 7.589 3.584) 8.642 2.330 ( -1.546 5.593 4.424) 7.297 2.407 ( -0.119 6.499 0.202) 6.503 2.419 ( 2.419 6.228 -4.821) 8.239 2.623 ( -5.522 -1.388 3.407) 6.636 2.697 ( -4.319 -0.882 -2.772) 5.208 2.775 ( -7.183 6.123 0.500) 9.451 2.781 ( -6.790 4.751 -0.569) 8.307 2.834 ( 0.746 -1.064 0.484) 1.386 2.882 ( 2.799 -1.242 -2.769) 4.128 3.022 ( -1.506 -0.940 4.136) 4.500 3.076 ( -2.369 3.100 -2.609) 4.694 3.138 ( -3.499 1.490 2.033) 4.312 3.229 ( -5.820 3.194 -4.993) 8.307 3.403 ( 0.022 -1.616 -1.899) 2.493 3.430 ( 2.235 0.290 -3.282) 3.981 3.549 ( 1.370 1.578 2.698) 3.413 3.605 ( 0.580 2.813 -2.288) 3.672 3.717 ( 4.759 -1.597 1.374) 5.204 3.752 ( 3.535 3.636 -0.424) 5.089 3.946 ( -0.961 3.905 4.450) 5.998 4.049 ( -6.862 -2.364 -6.077) 9.466 4.112 ( 0.065 -4.399 3.486) 5.613 4.177 ( -1.006 0.490 -2.181) 2.451 4.302 ( 3.239 -4.812 2.433) 6.291 4.330 ( 3.783 -6.320 -0.505) 7.383 4.452 ( 1.331 -2.951 4.209) 5.310 4.495 ( 3.361 -3.377 -0.779) 4.828 4.589 ( 0.830 -4.725 1.221) 4.950 4.635 ( -0.613 -4.593 -2.227) 5.141 4.708 ( 5.615 -4.952 0.089) 7.488 4.736 ( 4.924 -6.672 -1.481) 8.423 4.938 ( -1.734 2.762 0.129) 3.264 4.957 ( -1.789 1.973 -1.161) 2.906 5.031 ( -2.381 3.214 1.243) 4.189 5.056 ( -0.412 3.977 -0.967) 4.113 5.117 ( -2.471 0.845 0.841) 2.744 5.157 ( -1.891 2.523 -3.014) 4.362 5.377 ( 4.353 0.949 3.368) 5.585 5.399 ( 6.590 -0.294 1.173) 6.700 5.499 ( -1.337 6.303 0.012) 6.443 5.518 ( -3.619 6.872 -0.763) 7.804 5.629 ( -1.379 -3.301 2.602) 4.424 5.695 ( -1.726 0.312 -2.393) 2.967 5.717 ( 2.939 -1.556 5.138) 6.120 5.782 ( -0.099 2.715 -0.181) 2.723 5.807 ( 1.381 5.518 -2.009) 6.033 5.888 ( -1.912 -1.719 -6.447) 6.940 6.019 ( -0.307 7.798 0.247) 7.808 6.063 ( 2.661 5.831 -0.408) 6.422 6.131 ( 3.418 -1.165 2.824) 4.584 6.261 ( 4.963 0.712 -6.415) 8.142 6.416 ( -6.099 5.579 9.120) 12.309 6.533 ( -0.197 11.270 2.085) 11.463 6.576 ( -0.155 5.689 -0.009) 5.691 6.587 ( -4.058 4.533 -3.172) 6.862 6.759 ( 1.298 -5.577 5.521) 7.955 6.789 ( -2.550 -1.260 8.108) 8.592 6.818 ( -0.124 -0.093 1.887) 1.893 6.922 ( 0.853 0.063 -4.237) 4.323 7.010 ( -1.465 5.749 -0.578) 5.960 7.075 ( 2.026 5.698 -2.323) 6.478 7.312 ( -0.701 -1.943 5.420) 5.801 7.350 ( -2.488 1.587 0.145) 2.954 7.522 ( 1.220 -6.331 0.538) 6.470 7.541 ( 2.392 -5.393 -0.358) 5.910 7.744 ( -5.574 6.232 2.217) 8.650 7.778 ( -5.337 5.051 -0.585) 7.372 7.984 ( -3.481 2.205 2.054) 4.604 8.027 ( -4.546 0.802 2.665) 5.330 8.047 ( -2.028 0.836 -3.326) 3.984 8.116 ( -2.020 -0.346 -3.755) 4.278 8.328 ( 8.188 -9.255 4.794) 13.254 8.446 ( 5.621 -13.349 -6.607) 15.920 8.557 ( 0.510 -13.897 5.595) 14.989 8.632 ( -0.510 -9.690 -1.888) 9.885 8.750 ( 4.016 -6.502 0.954) 7.701 8.806 ( 3.025 -10.214 -1.550) 10.765 8.981 ( -1.683 1.819 -1.879) 3.110 9.074 ( -1.661 -1.956 -11.291) 11.579 9.308 ( 1.522 20.401 4.626) 20.974 9.406 ( -0.465 16.630 -5.194) 17.428 9.814 ( 3.311 9.210 1.154) 9.855 9.857 ( 5.032 11.466 -3.170) 12.916 10.016 ( 0.892 -0.879 0.641) 1.407 10.036 ( 1.726 -2.338 -1.233) 3.157 10.294 ( 2.455 -1.309 5.206) 5.903 10.381 ( 2.812 0.927 -3.636) 4.689 10.512 ( 0.361 7.010 4.656) 8.423 10.576 ( 1.922 4.926 -1.841) 5.599 10.801 ( -5.718 3.645 3.322) 7.551 10.854 ( -4.240 1.384 -1.373) 4.667 10.997 ( -3.540 -1.368 4.474) 5.866 11.065 ( -1.464 -9.206 -0.413) 9.331 11.100 ( -4.573 0.070 1.522) 4.820 11.135 ( -0.775 -8.947 -0.712) 9.008 11.400 ( 2.848 9.631 0.898) 10.083 11.438 ( 2.537 9.925 -2.590) 10.566 12.018 ( 0.106 -5.883 0.139) 5.886 12.049 ( -1.871 -7.309 -3.227) 8.206 12.348 ( 2.537 -7.959 4.279) 9.386 12.404 ( 2.544 -8.194 -0.538) 8.597 12.503 ( 5.721 -5.549 0.489) 7.985 12.554 ( 6.126 -3.800 -4.254) 8.371 12.694 ( 0.914 -11.744 0.275) 11.782 12.728 ( 1.589 -12.732 -2.624) 13.096 13.299 ( -10.655 1.708 5.158) 11.960 13.373 ( -9.617 -2.154 -1.865) 10.030 13.536 ( 4.533 3.367 3.287) 6.534 13.581 ( 6.340 3.104 -1.443) 7.205 13.835 ( 0.182 0.284 0.202) 0.393 13.872 ( 1.812 -2.725 -2.903) 4.375 14.200 ( -2.937 -4.207 6.400) 8.203 14.270 ( -4.969 -4.241 -0.074) 6.533 14.523 ( 0.874 -7.188 1.382) 7.371 14.577 ( -0.668 -9.977 -4.206) 10.848 15.228 ( -0.258 1.061 4.438) 4.570 15.324 ( -2.359 1.747 -5.286) 6.047 15.883 ( -4.052 -2.544 5.344) 7.172 15.968 ( -5.501 -3.972 -3.416) 7.596 16.425 ( 6.057 14.911 1.644) 16.178 16.474 ( 6.011 11.546 -3.308) 13.431 16.886 ( -0.989 5.958 0.765) 6.088 16.938 ( -1.883 5.277 -4.792) 7.373 ======================= Grid point 117 (45/48) ======================= q-point: ( 0.40 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 11.088 0.747 0.898) 11.150 1.444 ( 10.032 0.902 -2.745) 10.440 1.549 ( -0.637 -0.935 0.492) 1.233 1.595 ( -2.091 -0.284 -3.895) 4.430 1.836 ( 1.465 -0.766 4.706) 4.987 1.891 ( 3.193 -6.041 1.987) 7.116 1.930 ( 1.942 -5.470 -2.809) 6.449 2.016 ( -1.194 -10.106 -8.555) 13.295 2.224 ( 1.182 11.601 6.501) 13.351 2.298 ( -3.182 5.406 4.810) 7.905 2.394 ( -0.054 6.483 0.737) 6.525 2.440 ( -3.196 8.690 -6.864) 11.526 2.509 ( -0.805 1.676 6.236) 6.507 2.591 ( -7.529 7.378 0.343) 10.547 2.639 ( -1.681 2.473 -2.663) 4.004 2.668 ( -4.222 2.977 -3.024) 5.986 2.893 ( 3.954 1.038 2.375) 4.727 2.943 ( 0.955 -1.881 -0.667) 2.212 3.003 ( -0.208 3.896 -3.834) 5.470 3.017 ( -1.982 1.600 -2.337) 3.457 3.124 ( 1.010 -0.010 0.369) 1.075 3.157 ( -2.068 2.106 -2.653) 3.969 3.382 ( -1.763 -4.765 -4.050) 6.497 3.392 ( -2.646 -5.095 -4.501) 7.295 3.650 ( 4.863 5.506 0.557) 7.367 3.661 ( 4.474 5.503 -0.799) 7.137 3.775 ( 0.390 0.750 2.805) 2.930 3.803 ( 1.851 -1.451 0.203) 2.361 3.898 ( -3.369 4.015 2.904) 5.992 3.944 ( -2.896 3.872 -0.696) 4.885 4.101 ( 0.329 0.197 2.979) 3.004 4.147 ( -2.611 1.895 -1.568) 3.587 4.335 ( 0.320 -6.326 3.601) 7.286 4.347 ( -0.239 -5.887 3.258) 6.733 4.534 ( 3.530 -7.302 0.879) 8.158 4.561 ( 1.142 -5.191 -1.083) 5.424 4.601 ( 2.059 -2.153 1.713) 3.436 4.632 ( -0.372 -2.853 -1.908) 3.453 4.764 ( 1.347 -9.053 0.557) 9.170 4.782 ( 0.027 -10.673 -1.079) 10.727 4.925 ( -0.471 4.287 0.975) 4.421 4.932 ( -1.517 5.388 1.033) 5.692 5.004 ( 1.292 -0.021 0.204) 1.308 5.036 ( -1.269 1.034 -2.489) 2.979 5.131 ( 2.559 3.725 0.884) 4.605 5.152 ( 0.115 3.011 -1.464) 3.350 5.404 ( 0.822 3.503 -0.577) 3.644 5.458 ( -3.017 6.149 -3.566) 7.721 5.483 ( 2.118 -2.278 0.684) 3.185 5.528 ( -1.508 -4.469 -2.856) 5.514 5.605 ( 3.206 1.244 3.444) 4.867 5.660 ( -1.469 0.256 -2.004) 2.498 5.767 ( 2.163 2.264 3.269) 4.527 5.796 ( 0.281 1.620 3.284) 3.673 5.854 ( 2.484 5.250 -4.961) 7.638 5.874 ( 0.196 4.061 -4.743) 6.247 6.007 ( 0.005 12.239 0.804) 12.265 6.056 ( -3.236 10.198 -3.011) 11.115 6.203 ( 4.703 -4.403 8.898) 10.986 6.316 ( -4.840 -4.029 5.917) 8.641 6.349 ( 4.325 -2.610 -0.018) 5.051 6.476 ( -7.003 -0.607 -1.838) 7.265 6.566 ( 2.577 -5.237 -1.416) 6.006 6.589 ( 3.835 6.484 -3.634) 8.364 6.704 ( -4.687 5.910 3.324) 8.243 6.739 ( -4.875 9.618 1.110) 10.841 6.862 ( 3.572 4.237 3.233) 6.416 6.894 ( -1.312 5.519 -0.959) 5.753 7.047 ( 3.811 -1.009 2.727) 4.793 7.101 ( 0.123 0.131 -1.504) 1.515 7.263 ( -2.811 2.430 4.700) 5.991 7.296 ( -3.187 1.456 1.472) 3.801 7.528 ( 0.750 -1.669 4.118) 4.506 7.562 ( -1.794 -2.981 1.249) 3.697 7.693 ( 1.623 1.975 0.172) 2.563 7.723 ( -0.996 2.109 -1.460) 2.752 7.929 ( -1.285 2.302 1.072) 2.846 7.953 ( -3.055 1.710 3.809) 5.174 8.025 ( 0.330 0.688 -5.626) 5.677 8.061 ( -2.946 0.319 -5.530) 6.274 8.476 ( 6.438 -11.676 3.913) 13.895 8.541 ( 3.667 -16.212 -1.223) 16.667 8.554 ( -1.392 -12.000 4.073) 12.749 8.601 ( -2.710 -17.154 -0.129) 17.367 8.851 ( 5.442 -0.582 -1.381) 5.644 8.886 ( 5.105 -5.398 -4.320) 8.594 8.935 ( -2.981 1.248 -1.487) 3.558 9.004 ( -5.460 -2.074 -8.147) 10.024 9.347 ( 2.194 18.191 1.055) 18.353 9.385 ( -1.603 16.661 -2.655) 16.947 9.900 ( 4.611 4.560 1.701) 6.704 9.944 ( 1.443 3.296 -2.728) 4.515 10.047 ( 2.799 8.308 1.797) 8.949 10.072 ( 1.184 7.166 -0.613) 7.289 10.348 ( 2.994 -0.211 5.258) 6.054 10.399 ( -1.209 2.377 2.062) 3.371 10.508 ( -0.380 4.028 -0.894) 4.143 10.563 ( -4.329 5.627 -3.998) 8.148 10.710 ( -1.037 6.517 1.876) 6.860 10.746 ( -4.033 8.835 -1.942) 9.904 10.974 ( 1.401 -8.443 7.793) 11.575 11.021 ( -2.944 -11.467 6.980) 13.743 11.092 ( 2.321 -6.306 -3.378) 7.521 11.129 ( -0.895 -9.320 -3.707) 10.070 11.435 ( 0.971 9.297 -0.255) 9.351 11.451 ( -0.611 9.531 -1.681) 9.697 12.021 ( 0.193 -4.305 -1.552) 4.580 12.026 ( -0.484 -4.701 -2.253) 5.236 12.404 ( 2.554 -10.101 2.996) 10.841 12.427 ( 0.198 -8.705 1.085) 8.774 12.589 ( 1.670 -18.427 -0.492) 18.509 12.612 ( -0.605 -16.466 -2.424) 16.655 12.819 ( 11.276 -1.623 1.013) 11.438 12.847 ( 11.732 -1.174 -1.612) 11.900 13.063 ( -12.768 0.134 3.459) 13.229 13.124 ( -14.656 -1.372 -2.426) 14.918 13.659 ( 6.993 4.410 3.263) 8.888 13.717 ( 5.171 5.713 -2.315) 8.046 13.813 ( -1.231 1.395 3.561) 4.017 13.871 ( -2.759 1.926 -1.668) 3.756 14.143 ( -1.698 -6.464 1.709) 6.899 14.169 ( -4.157 -6.700 -0.399) 7.895 14.541 ( 0.876 -9.851 -0.448) 9.900 14.559 ( -1.046 -10.913 -2.375) 11.217 15.236 ( 1.193 5.784 1.245) 6.035 15.273 ( -2.471 6.210 -2.531) 7.147 15.835 ( -0.402 -1.624 2.247) 2.802 15.870 ( -3.814 -1.881 -1.424) 4.484 16.535 ( 4.224 10.134 1.708) 11.111 16.560 ( 1.931 8.906 -0.815) 9.149 16.872 ( -0.011 5.366 -1.091) 5.476 16.895 ( -2.153 4.974 -3.466) 6.434 ======================= Grid point 120 (46/48) ======================= q-point: ( 0.00 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.000 0.175 -0.608) 0.633 1.154 ( 0.000 -2.783 -3.733) 4.657 1.227 ( 0.000 -5.547 -4.139) 6.921 1.255 ( 0.000 -7.931 -6.997) 10.577 1.609 ( 0.000 4.293 -1.593) 4.579 1.692 ( 0.000 -4.241 -9.197) 10.128 2.113 ( 0.000 7.672 3.774) 8.550 2.178 ( 0.000 2.114 -2.347) 3.159 2.438 ( 0.000 5.527 5.238) 7.615 2.444 ( 0.000 3.425 3.796) 5.113 2.476 ( 0.000 2.942 4.092) 5.040 2.480 ( 0.000 1.541 5.230) 5.453 2.596 ( 0.000 -2.359 2.068) 3.138 2.637 ( 0.000 -5.180 -1.348) 5.353 2.799 ( 0.000 -1.577 -3.227) 3.592 2.814 ( 0.000 -2.172 -5.216) 5.651 2.945 ( 0.000 5.486 1.083) 5.592 2.957 ( 0.000 4.069 -0.462) 4.095 3.073 ( 0.000 1.545 0.566) 1.645 3.103 ( 0.000 -3.351 -2.865) 4.409 3.286 ( 0.000 1.639 1.747) 2.396 3.327 ( 0.000 2.836 3.302) 4.353 3.381 ( 0.000 -1.810 -1.582) 2.404 3.406 ( 0.000 -0.720 4.668) 4.723 3.432 ( 0.000 -3.771 -7.692) 8.566 3.538 ( 0.000 -6.459 0.084) 6.460 3.684 ( 0.000 3.330 -5.169) 6.149 3.739 ( 0.000 -0.663 -6.327) 6.362 4.018 ( 0.000 5.004 3.209) 5.945 4.108 ( 0.000 0.451 -2.812) 2.848 4.128 ( 0.000 -2.420 -0.657) 2.507 4.156 ( 0.000 2.812 0.491) 2.855 4.254 ( 0.000 3.075 3.821) 4.904 4.284 ( 0.000 5.615 0.968) 5.698 4.405 ( 0.000 -4.577 0.277) 4.586 4.422 ( 0.000 -2.402 -1.611) 2.893 4.451 ( 0.000 -10.179 1.827) 10.342 4.466 ( 0.000 -5.505 -0.855) 5.571 4.587 ( 0.000 -0.185 2.082) 2.090 4.608 ( 0.000 -2.006 -0.048) 2.006 5.030 ( 0.000 5.254 0.235) 5.259 5.053 ( 0.000 4.256 -1.537) 4.525 5.097 ( 0.000 2.277 0.894) 2.446 5.119 ( 0.000 0.233 -1.112) 1.136 5.203 ( 0.000 1.979 1.191) 2.309 5.232 ( 0.000 -0.261 -2.111) 2.127 5.316 ( 0.000 1.638 5.155) 5.409 5.418 ( 0.000 -8.050 3.038) 8.604 5.443 ( 0.000 7.655 -2.939) 8.200 5.579 ( 0.000 -3.600 -7.250) 8.095 5.653 ( 0.000 1.003 2.442) 2.640 5.682 ( 0.000 -1.482 -0.054) 1.483 5.707 ( 0.000 1.099 3.459) 3.629 5.772 ( 0.000 -6.837 -3.519) 7.689 5.904 ( 0.000 4.451 -0.999) 4.562 5.912 ( 0.000 4.148 -1.680) 4.476 6.061 ( 0.000 2.015 7.841) 8.096 6.102 ( 0.000 -0.654 1.665) 1.789 6.179 ( 0.000 8.927 -3.089) 9.446 6.239 ( 0.000 5.681 -7.180) 9.156 6.498 ( 0.000 -6.340 6.979) 9.429 6.555 ( 0.000 -8.324 4.706) 9.562 6.567 ( 0.000 -2.267 9.934) 10.189 6.600 ( 0.000 -5.174 5.897) 7.845 6.802 ( 0.000 0.530 -4.015) 4.050 6.821 ( 0.000 0.205 -4.988) 4.993 7.010 ( 0.000 13.447 -2.590) 13.695 7.014 ( 0.000 13.067 -0.500) 13.076 7.204 ( 0.000 3.254 3.959) 5.125 7.231 ( 0.000 7.783 2.454) 8.160 7.343 ( 0.000 -0.258 4.692) 4.699 7.398 ( 0.000 3.083 -2.553) 4.003 7.399 ( 0.000 12.328 -0.783) 12.353 7.426 ( 0.000 -3.551 -4.268) 5.552 7.889 ( 0.000 -18.832 5.161) 19.526 7.895 ( 0.000 -3.467 5.030) 6.110 7.952 ( 0.000 2.437 -1.558) 2.892 8.002 ( 0.000 -9.193 -6.214) 11.096 8.103 ( 0.000 -5.117 0.203) 5.121 8.110 ( 0.000 0.066 5.203) 5.203 8.132 ( 0.000 2.145 2.722) 3.466 8.153 ( 0.000 1.341 -1.319) 1.880 8.301 ( 0.000 -3.820 2.838) 4.759 8.417 ( 0.000 -11.391 -6.768) 13.250 8.658 ( 0.000 -0.106 -0.369) 0.384 8.673 ( 0.000 -1.566 -1.214) 1.982 9.023 ( 0.000 1.280 -4.961) 5.123 9.050 ( 0.000 -1.508 -8.141) 8.279 9.680 ( 0.000 14.847 1.531) 14.926 9.710 ( 0.000 12.292 -1.478) 12.381 9.858 ( 0.000 -4.586 1.081) 4.712 9.885 ( 0.000 -6.203 -1.481) 6.377 10.048 ( 0.000 14.613 3.509) 15.028 10.129 ( 0.000 8.378 -4.625) 9.570 10.333 ( 0.000 10.123 0.613) 10.142 10.366 ( 0.000 3.688 -2.919) 4.703 10.605 ( 0.000 -1.551 2.335) 2.803 10.616 ( 0.000 -3.003 1.058) 3.184 10.701 ( 0.000 -16.334 2.975) 16.602 10.712 ( 0.000 -13.508 1.578) 13.600 10.804 ( 0.000 -3.724 2.247) 4.349 10.817 ( 0.000 -4.936 1.045) 5.045 11.410 ( 0.000 11.616 1.344) 11.693 11.438 ( 0.000 10.026 -1.764) 10.180 11.542 ( 0.000 11.083 0.551) 11.097 11.577 ( 0.000 11.085 -2.481) 11.359 11.840 ( 0.000 -14.655 -1.314) 14.714 11.842 ( 0.000 -11.776 -1.070) 11.824 12.162 ( 0.000 -6.235 1.133) 6.337 12.202 ( 0.000 -9.527 -3.187) 10.046 12.362 ( 0.000 -2.172 3.354) 3.996 12.410 ( 0.000 -6.300 -2.348) 6.723 12.539 ( 0.000 -0.723 0.157) 0.740 12.552 ( 0.000 -1.746 -1.995) 2.652 13.386 ( 0.000 -0.261 3.284) 3.294 13.411 ( 0.000 -2.676 2.061) 3.378 13.543 ( 0.000 1.857 -1.739) 2.544 13.570 ( 0.000 -0.092 -2.883) 2.885 13.900 ( 0.000 10.792 5.882) 12.291 14.015 ( 0.000 11.226 -4.581) 12.125 14.136 ( 0.000 -5.830 7.225) 9.284 14.264 ( 0.000 -4.266 -3.332) 5.413 14.352 ( 0.000 -7.004 1.211) 7.108 14.355 ( 0.000 -10.719 -0.481) 10.730 15.267 ( 0.000 3.773 4.093) 5.567 15.328 ( 0.000 -1.858 -2.054) 2.770 15.867 ( 0.000 -0.942 2.534) 2.703 15.911 ( 0.000 -4.995 -1.875) 5.335 16.643 ( 0.000 8.713 -2.151) 8.975 16.646 ( 0.000 8.026 -2.435) 8.387 16.968 ( 0.000 1.677 0.448) 1.736 16.998 ( 0.000 -0.889 -2.691) 2.835 ======================= Grid point 121 (47/48) ======================= q-point: ( 0.20 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 9.633 2.685 -1.031) 10.053 1.269 ( 8.075 0.419 -5.631) 9.853 1.336 ( 10.707 -7.757 -3.732) 13.738 1.343 ( 10.003 -7.302 -4.541) 13.191 1.679 ( 5.812 2.357 -0.800) 6.322 1.745 ( 4.176 -4.262 -6.397) 8.748 2.037 ( -6.811 3.920 -0.971) 7.918 2.062 ( -9.579 1.363 -2.907) 10.102 2.407 ( -2.004 4.285 4.562) 6.571 2.420 ( -2.291 5.341 2.894) 6.492 2.474 ( -1.366 0.572 7.172) 7.323 2.515 ( 0.556 -2.548 9.157) 9.521 2.581 ( 0.155 3.276 -1.198) 3.492 2.663 ( 2.013 -3.026 -3.708) 5.192 2.801 ( 0.609 -0.852 -0.195) 1.065 2.822 ( 1.559 -2.814 -0.744) 3.302 2.897 ( -4.977 6.952 1.828) 8.743 2.937 ( -4.339 8.424 -2.874) 9.902 3.012 ( -1.445 -2.900 1.845) 3.728 3.083 ( -1.502 -4.249 -4.655) 6.479 3.218 ( -4.147 7.142 1.436) 8.383 3.298 ( -3.462 4.320 -2.854) 6.228 3.366 ( -1.934 -2.422 -3.513) 4.684 3.371 ( -5.201 -6.060 -5.904) 9.932 3.551 ( 10.423 -1.341 4.747) 11.531 3.582 ( 6.067 -4.501 4.225) 8.656 3.713 ( 2.618 3.836 -1.837) 4.994 3.777 ( 3.083 -1.322 -5.757) 6.663 4.018 ( -1.797 3.531 -1.098) 4.112 4.046 ( -6.786 1.425 -3.531) 7.781 4.137 ( 0.861 0.254 2.070) 2.256 4.176 ( 2.520 -4.114 -1.430) 5.032 4.239 ( -0.423 3.484 4.493) 5.701 4.272 ( -1.067 4.270 1.299) 4.589 4.397 ( -0.083 -4.264 3.653) 5.615 4.436 ( 1.389 -5.645 -0.164) 5.816 4.494 ( 4.663 -2.835 0.216) 5.462 4.517 ( 4.015 -4.517 -1.659) 6.267 4.631 ( 2.510 -2.285 0.165) 3.398 4.637 ( 1.503 -2.320 -0.506) 2.811 4.994 ( -2.011 3.403 -0.371) 3.971 5.008 ( -2.579 2.387 -1.577) 3.852 5.111 ( -2.659 3.794 1.002) 4.740 5.132 ( -0.287 2.821 -0.492) 2.878 5.148 ( -0.130 0.960 0.056) 0.970 5.169 ( -2.801 -1.586 -2.223) 3.912 5.393 ( 4.217 1.196 4.580) 6.340 5.463 ( 1.895 -6.035 2.721) 6.886 5.495 ( 4.158 7.238 -0.970) 8.404 5.583 ( 0.033 -1.189 -3.532) 3.727 5.634 ( -2.225 3.340 3.137) 5.094 5.673 ( 2.674 -0.722 -0.446) 2.806 5.723 ( -0.136 0.418 -0.437) 0.620 5.756 ( -0.650 -5.986 -4.082) 7.275 5.877 ( -1.641 4.119 0.708) 4.490 5.910 ( -0.116 2.906 -3.106) 4.255 6.084 ( 2.417 0.228 6.155) 6.616 6.132 ( 2.439 -0.693 1.338) 2.866 6.186 ( 1.380 5.301 -2.258) 5.924 6.259 ( 0.067 0.883 -6.633) 6.692 6.420 ( -6.578 -1.544 8.598) 10.936 6.503 ( -4.777 -6.238 3.715) 8.691 6.589 ( -2.280 -1.687 4.647) 5.444 6.632 ( 0.361 -4.179 7.705) 8.773 6.743 ( -1.746 2.986 -5.853) 6.799 6.789 ( 0.888 -2.501 -6.791) 7.291 6.954 ( 0.168 13.188 5.646) 14.347 7.078 ( -0.109 15.067 -5.846) 16.162 7.175 ( 1.441 -6.672 6.637) 9.521 7.282 ( -4.732 0.733 1.842) 5.131 7.321 ( 4.243 10.684 0.324) 11.500 7.376 ( -2.387 13.138 0.819) 13.379 7.456 ( 2.073 -3.007 1.339) 3.890 7.472 ( 5.400 4.652 -2.011) 7.406 7.815 ( -5.392 -6.336 1.783) 8.509 7.845 ( -7.689 -1.048 -1.815) 7.969 7.904 ( 0.202 -9.710 4.382) 10.654 7.962 ( -2.539 -8.593 -2.913) 9.422 8.057 ( -2.338 2.973 4.618) 5.969 8.121 ( -2.154 -2.503 1.028) 3.458 8.152 ( 2.797 -1.140 2.393) 3.853 8.229 ( 4.325 -2.829 -2.609) 5.789 8.301 ( 0.099 -6.585 2.171) 6.934 8.403 ( -1.480 -11.026 -5.458) 12.392 8.707 ( 5.050 -0.277 -1.839) 5.382 8.719 ( 4.673 -1.410 -2.172) 5.342 9.008 ( -1.586 1.497 -4.255) 4.782 9.040 ( -1.484 -1.688 -7.304) 7.642 9.706 ( 2.013 15.772 1.091) 15.938 9.724 ( 0.917 13.140 -0.769) 13.194 9.889 ( 2.419 -2.984 1.125) 4.002 9.910 ( 1.667 -5.538 -0.676) 5.823 10.076 ( 3.961 11.792 2.636) 12.716 10.148 ( 2.727 8.860 -4.601) 10.349 10.337 ( 1.490 6.825 4.048) 8.073 10.416 ( 2.969 3.433 -3.895) 5.981 10.627 ( 1.573 -6.682 3.347) 7.637 10.645 ( -0.310 -12.837 1.639) 12.944 10.682 ( -0.813 -5.995 3.341) 6.911 10.714 ( 1.406 0.750 0.309) 1.623 10.790 ( -0.732 -5.464 4.246) 6.959 10.852 ( 3.175 -7.801 -1.455) 8.547 11.241 ( -12.497 8.613 -0.161) 15.178 11.261 ( -12.566 7.126 -2.218) 14.615 11.601 ( 2.643 11.727 0.499) 12.032 11.633 ( 2.029 10.295 -2.335) 10.750 11.853 ( 1.214 -12.176 -0.752) 12.259 11.861 ( 1.323 -11.632 -1.500) 11.803 12.178 ( 1.733 -6.831 0.577) 7.071 12.207 ( 0.765 -9.569 -2.588) 9.942 12.350 ( -1.462 -2.835 2.703) 4.182 12.393 ( -1.851 -7.149 -2.151) 7.692 12.619 ( 7.814 0.223 0.085) 7.818 12.632 ( 7.658 -1.033 -1.258) 7.830 13.301 ( -9.491 -0.093 2.401) 9.790 13.317 ( -8.858 -1.963 0.872) 9.115 13.615 ( 7.092 2.613 1.166) 7.647 13.631 ( 7.321 1.055 -0.944) 7.456 13.930 ( 2.477 9.354 2.679) 10.040 14.003 ( -1.265 11.564 -3.354) 12.107 14.125 ( -1.518 -4.396 5.430) 7.149 14.216 ( -5.126 -1.724 -1.135) 5.526 14.316 ( -2.913 -10.788 -0.266) 11.178 14.325 ( -2.876 -12.696 -1.525) 13.107 15.316 ( 4.561 5.561 3.548) 8.020 15.370 ( 3.962 0.860 -1.958) 4.502 15.807 ( -5.420 -2.144 2.592) 6.379 15.851 ( -5.528 -5.803 -1.788) 8.211 16.682 ( 3.554 8.699 -1.486) 9.513 16.689 ( 3.777 7.630 -2.104) 8.769 16.949 ( -1.867 1.047 0.193) 2.149 16.974 ( -2.280 -1.091 -2.476) 3.538 ======================= Grid point 122 (48/48) ======================= q-point: ( 0.40 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 9.720 1.706 -2.358) 10.146 1.451 ( 9.738 -0.122 -4.170) 10.594 1.510 ( 5.147 -1.573 -1.620) 5.620 1.549 ( 4.347 -4.382 -5.216) 8.082 1.778 ( 4.045 -1.905 -0.360) 4.486 1.802 ( 1.626 -3.251 -1.814) 4.062 1.876 ( -7.787 -0.788 -4.560) 9.058 1.888 ( -6.968 -2.281 -5.940) 9.436 2.377 ( -0.075 3.897 5.673) 6.883 2.399 ( -0.678 4.274 5.302) 6.844 2.432 ( -1.127 -0.359 5.927) 6.044 2.470 ( -3.439 -2.468 5.811) 7.189 2.635 ( 4.717 7.294 1.006) 8.744 2.691 ( 1.731 1.872 -3.342) 4.204 2.759 ( -6.707 5.164 0.930) 8.515 2.767 ( -6.757 4.127 0.286) 7.923 2.891 ( 5.736 0.878 2.176) 6.198 2.912 ( 3.224 1.417 -0.143) 3.524 3.015 ( -0.508 -1.758 0.720) 1.967 3.048 ( -3.123 -1.441 0.141) 3.442 3.172 ( 0.738 3.764 -3.195) 4.992 3.218 ( -3.830 3.629 -2.823) 5.984 3.273 ( -2.833 -5.718 -6.755) 9.292 3.302 ( -4.186 -4.149 -7.172) 9.283 3.715 ( 6.882 2.224 4.314) 8.421 3.760 ( 6.966 1.422 2.924) 7.688 3.773 ( 2.552 2.638 -0.129) 3.672 3.833 ( 0.470 1.457 -3.158) 3.510 3.923 ( -0.534 1.838 2.041) 2.798 3.982 ( -1.044 -1.605 -2.241) 2.948 4.096 ( -5.001 -2.708 0.887) 5.756 4.127 ( -6.328 -5.231 -0.898) 8.259 4.283 ( 3.152 3.854 2.843) 5.733 4.297 ( 2.536 3.905 1.438) 4.874 4.412 ( 1.781 -5.810 2.635) 6.623 4.453 ( -0.954 -6.769 -0.836) 6.886 4.577 ( 3.375 0.313 -0.030) 3.390 4.591 ( 2.646 -1.104 -1.569) 3.268 4.636 ( -1.178 -3.400 -1.097) 3.762 4.641 ( -1.338 -3.249 -1.315) 3.752 4.984 ( 1.160 2.181 0.214) 2.479 5.004 ( 2.206 0.517 -1.843) 2.921 5.033 ( -3.468 3.212 1.379) 4.924 5.067 ( -3.861 0.304 -2.116) 4.413 5.202 ( 4.219 2.694 1.076) 5.120 5.211 ( 4.440 2.793 0.061) 5.246 5.372 ( -4.751 -2.550 3.071) 6.205 5.410 ( -6.644 -5.224 -0.192) 8.454 5.574 ( 3.974 7.179 0.246) 8.209 5.616 ( 0.236 7.807 -2.955) 8.351 5.641 ( 3.744 1.158 2.286) 4.537 5.693 ( -1.435 1.982 -2.949) 3.833 5.751 ( 4.284 -1.610 2.447) 5.190 5.800 ( 2.080 -1.698 -1.638) 3.145 5.853 ( 0.268 -3.245 0.663) 3.322 5.899 ( -1.661 -2.392 -3.354) 4.442 6.142 ( 2.718 1.287 3.942) 4.958 6.169 ( 1.004 3.484 1.411) 3.891 6.210 ( -0.590 -0.128 -0.724) 0.943 6.246 ( -0.737 -3.754 -1.869) 4.258 6.312 ( -0.712 4.941 3.689) 6.207 6.406 ( -5.534 -2.666 -3.657) 7.148 6.466 ( -4.434 -2.867 4.439) 6.898 6.518 ( -7.013 -5.331 -0.862) 8.852 6.866 ( 8.604 1.328 1.732) 8.876 6.901 ( 7.885 -1.750 -1.928) 8.304 6.975 ( -0.528 8.042 3.670) 8.855 7.021 ( -4.553 6.238 -1.167) 7.810 7.197 ( -2.094 9.613 2.642) 10.187 7.221 ( 0.165 5.394 0.258) 5.403 7.302 ( -1.973 4.804 3.470) 6.246 7.346 ( -2.713 8.130 -0.303) 8.576 7.497 ( 2.842 0.461 5.288) 6.021 7.540 ( -0.026 4.829 0.518) 4.857 7.725 ( -1.814 -5.230 -0.076) 5.537 7.744 ( -2.683 -4.059 -1.378) 5.057 7.925 ( 2.232 -2.704 2.043) 4.058 7.964 ( 3.067 -6.051 -0.028) 6.784 7.994 ( -3.905 1.814 3.764) 5.719 8.050 ( -4.688 -2.951 -0.138) 5.541 8.216 ( 3.285 -4.346 0.877) 5.518 8.261 ( -0.937 -3.939 -3.070) 5.081 8.320 ( 1.903 -10.398 1.396) 10.663 8.363 ( -2.391 -10.319 -2.492) 10.882 8.836 ( 6.815 -0.357 -3.320) 7.589 8.841 ( 7.667 -0.602 -4.084) 8.707 8.951 ( -4.520 1.033 -3.565) 5.849 8.975 ( -5.341 -1.347 -5.885) 8.061 9.736 ( 0.773 17.180 0.205) 17.199 9.738 ( 0.442 15.511 0.035) 15.517 9.917 ( 0.684 -2.386 0.820) 2.614 9.926 ( -0.022 -4.119 -0.067) 4.119 10.198 ( 6.205 8.813 1.762) 10.921 10.229 ( 3.311 9.412 -1.404) 10.076 10.402 ( 6.003 1.685 4.789) 7.862 10.474 ( 3.696 -1.954 -2.378) 4.810 10.556 ( -6.347 -0.531 4.412) 7.748 10.604 ( -6.515 -5.414 0.098) 8.471 10.672 ( 1.077 -7.540 5.419) 9.348 10.721 ( -1.862 -5.908 1.867) 6.469 10.848 ( 5.619 2.364 3.135) 6.855 10.918 ( 2.029 0.006 -3.214) 3.801 11.021 ( -6.649 0.820 -0.704) 6.736 11.064 ( -7.013 -0.843 -4.168) 8.201 11.630 ( 0.778 11.394 -0.414) 11.428 11.643 ( -0.494 10.789 -1.495) 10.903 11.876 ( 0.853 -11.560 -1.012) 11.636 11.880 ( 0.450 -11.721 -1.440) 11.818 12.228 ( 3.271 -6.056 0.165) 6.885 12.248 ( 3.741 -9.093 -1.998) 10.033 12.299 ( -3.581 -4.326 1.413) 5.791 12.333 ( -4.207 -8.084 -2.154) 9.364 12.817 ( 12.013 0.588 0.998) 12.068 12.831 ( 12.317 -0.759 -0.364) 12.346 13.069 ( -13.207 0.593 2.189) 13.400 13.090 ( -13.452 -1.560 0.101) 13.542 13.796 ( 10.248 6.053 3.231) 12.333 13.825 ( 11.174 2.467 0.643) 11.461 13.956 ( -3.917 12.679 0.517) 13.281 13.978 ( 1.464 8.847 -2.113) 9.212 14.054 ( -6.493 -1.971 2.291) 7.162 14.073 ( -7.203 -1.943 -0.221) 7.464 14.268 ( -1.284 -15.661 -1.619) 15.796 14.275 ( -1.706 -16.143 -2.604) 16.440 15.419 ( 5.070 10.439 1.960) 11.769 15.451 ( 2.736 9.272 -1.371) 9.764 15.703 ( -3.492 -8.532 2.317) 9.505 15.732 ( -5.506 -9.436 -0.727) 10.949 16.754 ( 3.061 9.482 -0.592) 9.982 16.761 ( 2.681 8.944 -1.185) 9.412 16.908 ( -1.606 -1.486 -0.769) 2.319 16.921 ( -2.604 -2.250 -2.040) 4.000 =================== 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 3/32340 10.0 99.237 212.181 150.910 0.000 0.000 -0.000 3/32340 20.0 12.406 18.530 12.742 0.000 0.000 -0.000 3/32340 30.0 4.933 6.568 4.735 0.000 0.000 0.000 3/32340 40.0 2.886 3.632 2.706 0.000 0.000 0.000 3/32340 50.0 2.019 2.468 1.874 0.000 0.000 0.000 3/32340 60.0 1.561 1.885 1.444 0.000 0.000 0.000 3/32340 70.0 1.284 1.550 1.187 0.000 0.000 0.000 3/32340 80.0 1.100 1.338 1.017 0.000 0.000 0.000 3/32340 90.0 0.968 1.194 0.896 0.000 0.000 0.000 3/32340 100.0 0.870 1.090 0.805 0.000 0.000 0.000 3/32340 110.0 0.793 1.010 0.734 0.000 0.000 0.000 3/32340 120.0 0.731 0.947 0.675 0.000 0.000 0.000 3/32340 130.0 0.680 0.894 0.627 0.000 0.000 0.000 3/32340 140.0 0.636 0.849 0.586 0.000 0.000 0.000 3/32340 150.0 0.599 0.809 0.550 0.000 0.000 0.000 3/32340 160.0 0.566 0.774 0.519 0.000 0.000 0.000 3/32340 170.0 0.537 0.743 0.492 0.000 0.000 0.000 3/32340 180.0 0.511 0.714 0.467 0.000 0.000 0.000 3/32340 190.0 0.487 0.687 0.445 0.000 0.000 0.000 3/32340 200.0 0.466 0.663 0.425 0.000 0.000 0.000 3/32340 210.0 0.447 0.640 0.407 0.000 0.000 0.000 3/32340 220.0 0.429 0.618 0.390 0.000 0.000 0.000 3/32340 230.0 0.413 0.598 0.374 0.000 0.000 0.000 3/32340 240.0 0.397 0.579 0.360 0.000 0.000 0.000 3/32340 250.0 0.383 0.561 0.347 0.000 0.000 0.000 3/32340 260.0 0.370 0.545 0.335 0.000 0.000 0.000 3/32340 270.0 0.358 0.529 0.323 0.000 0.000 0.000 3/32340 280.0 0.346 0.514 0.313 0.000 0.000 0.000 3/32340 290.0 0.336 0.499 0.303 0.000 0.000 0.000 3/32340 300.0 0.325 0.486 0.293 0.000 0.000 0.000 3/32340 310.0 0.316 0.473 0.284 0.000 0.000 0.000 3/32340 320.0 0.307 0.461 0.276 0.000 0.000 0.000 3/32340 330.0 0.298 0.449 0.268 0.000 0.000 0.000 3/32340 340.0 0.290 0.438 0.261 0.000 0.000 0.000 3/32340 350.0 0.282 0.427 0.254 0.000 0.000 0.000 3/32340 360.0 0.275 0.417 0.247 0.000 0.000 0.000 3/32340 370.0 0.268 0.407 0.241 0.000 0.000 0.000 3/32340 380.0 0.262 0.398 0.235 0.000 0.000 0.000 3/32340 390.0 0.255 0.389 0.229 0.000 0.000 0.000 3/32340 400.0 0.249 0.380 0.224 0.000 0.000 0.000 3/32340 410.0 0.244 0.372 0.218 0.000 0.000 0.000 3/32340 420.0 0.238 0.364 0.213 0.000 0.000 0.000 3/32340 430.0 0.233 0.357 0.209 0.000 0.000 0.000 3/32340 440.0 0.228 0.349 0.204 0.000 0.000 0.000 3/32340 450.0 0.223 0.342 0.200 0.000 0.000 0.000 3/32340 460.0 0.219 0.336 0.196 0.000 0.000 0.000 3/32340 470.0 0.214 0.329 0.191 0.000 0.000 0.000 3/32340 480.0 0.210 0.323 0.188 0.000 0.000 0.000 3/32340 490.0 0.206 0.317 0.184 0.000 0.000 0.000 3/32340 500.0 0.202 0.311 0.180 0.000 0.000 0.000 3/32340 510.0 0.198 0.305 0.177 0.000 0.000 0.000 3/32340 520.0 0.194 0.300 0.174 0.000 0.000 0.000 3/32340 530.0 0.191 0.295 0.170 0.000 0.000 0.000 3/32340 540.0 0.187 0.290 0.167 0.000 0.000 0.000 3/32340 550.0 0.184 0.285 0.164 0.000 0.000 0.000 3/32340 560.0 0.181 0.280 0.162 0.000 0.000 0.000 3/32340 570.0 0.178 0.275 0.159 0.000 0.000 0.000 3/32340 580.0 0.175 0.271 0.156 0.000 0.000 0.000 3/32340 590.0 0.172 0.267 0.154 0.000 0.000 0.000 3/32340 600.0 0.169 0.263 0.151 0.000 0.000 0.000 3/32340 610.0 0.167 0.258 0.149 0.000 0.000 0.000 3/32340 620.0 0.164 0.255 0.146 0.000 0.000 0.000 3/32340 630.0 0.162 0.251 0.144 0.000 0.000 0.000 3/32340 640.0 0.159 0.247 0.142 0.000 0.000 0.000 3/32340 650.0 0.157 0.243 0.140 0.000 0.000 0.000 3/32340 660.0 0.154 0.240 0.138 0.000 0.000 0.000 3/32340 670.0 0.152 0.237 0.136 0.000 0.000 0.000 3/32340 680.0 0.150 0.233 0.134 0.000 0.000 0.000 3/32340 690.0 0.148 0.230 0.132 0.000 0.000 0.000 3/32340 700.0 0.146 0.227 0.130 0.000 0.000 0.000 3/32340 710.0 0.144 0.224 0.128 0.000 0.000 0.000 3/32340 720.0 0.142 0.221 0.126 0.000 0.000 0.000 3/32340 730.0 0.140 0.218 0.125 0.000 0.000 0.000 3/32340 740.0 0.138 0.215 0.123 0.000 0.000 0.000 3/32340 750.0 0.136 0.212 0.121 0.000 0.000 0.000 3/32340 760.0 0.134 0.210 0.120 0.000 0.000 0.000 3/32340 770.0 0.133 0.207 0.118 0.000 0.000 0.000 3/32340 780.0 0.131 0.204 0.117 0.000 0.000 0.000 3/32340 790.0 0.129 0.202 0.115 0.000 0.000 0.000 3/32340 800.0 0.128 0.200 0.114 0.000 0.000 0.000 3/32340 810.0 0.126 0.197 0.113 0.000 0.000 0.000 3/32340 820.0 0.125 0.195 0.111 0.000 0.000 0.000 3/32340 830.0 0.123 0.193 0.110 0.000 0.000 0.000 3/32340 840.0 0.122 0.190 0.109 0.000 0.000 0.000 3/32340 850.0 0.121 0.188 0.107 0.000 0.000 0.000 3/32340 860.0 0.119 0.186 0.106 0.000 0.000 0.000 3/32340 870.0 0.118 0.184 0.105 0.000 0.000 0.000 3/32340 880.0 0.116 0.182 0.104 0.000 0.000 0.000 3/32340 890.0 0.115 0.180 0.103 0.000 0.000 0.000 3/32340 900.0 0.114 0.178 0.101 0.000 0.000 0.000 3/32340 910.0 0.113 0.176 0.100 0.000 0.000 0.000 3/32340 920.0 0.111 0.174 0.099 0.000 0.000 0.000 3/32340 930.0 0.110 0.172 0.098 0.000 0.000 0.000 3/32340 940.0 0.109 0.171 0.097 0.000 0.000 0.000 3/32340 950.0 0.108 0.169 0.096 0.000 0.000 0.000 3/32340 960.0 0.107 0.167 0.095 0.000 0.000 0.000 3/32340 970.0 0.106 0.166 0.094 0.000 0.000 0.000 3/32340 980.0 0.105 0.164 0.093 0.000 0.000 0.000 3/32340 990.0 0.104 0.162 0.092 0.000 0.000 0.000 3/32340 1000.0 0.103 0.161 0.091 0.000 0.000 0.000 3/32340 Thermal conductivity related properties were written into "kappa-m577.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:05:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|