----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:32:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.986985800428049 0.000000000000000 0.000000000000000 b 0.000000000000000 5.134075649999999 0.000000000000000 c -3.325815394021561 0.000000000000000 9.211369442966918 Atomic positions (fractional): *1 Li 0.86907845522922 0.52707072118461 0.12321396383990 6.941 2 Li 0.86907845522922 0.97292927881539 0.62321396383990 6.941 *3 Li 0.65695671864372 0.99058689064253 0.32589482494266 6.941 4 Li 0.34304328135628 0.49058689064253 0.17410517505734 6.941 5 Li 0.65695671864372 0.50941310935747 0.82589482494266 6.941 6 Li 0.34304328135628 0.00941310935747 0.67410517505734 6.941 7 Li 0.13092154477078 0.02707072118461 0.37678603616010 6.941 8 Li 0.13092154477078 0.47292927881538 0.87678603616010 6.941 *9 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 10 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 *11 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 12 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 *13 F 0.95303855376679 0.34229596348535 0.30845652470971 18.998 *14 F 0.88535450869085 0.82351404165434 0.42222318087714 18.998 *15 F 0.68123279585474 0.79006011867767 0.13589933011852 18.998 16 F 0.95303855376679 0.15770403651465 0.80845652470971 18.998 *17 F 0.73195282051980 0.20718841426340 0.48602291271694 18.998 18 F 0.88535450869085 0.67648595834566 0.92222318087713 18.998 *19 F 0.50059633261126 0.20252222684359 0.16919963860057 18.998 20 F 0.68123279585474 0.70993988132233 0.63589933011852 18.998 21 F 0.49940366738874 0.70252222684359 0.33080036139943 18.998 22 F 0.73195282051980 0.29281158573660 0.98602291271694 18.998 23 F 0.26804717948020 0.70718841426340 0.01397708728306 18.998 24 F 0.50059633261126 0.29747777315641 0.66919963860057 18.998 25 F 0.31876720414526 0.29006011867767 0.36410066988148 18.998 26 F 0.49940366738874 0.79747777315641 0.83080036139943 18.998 27 F 0.11464549130915 0.32351404165434 0.07777681912287 18.998 28 F 0.26804717948020 0.79281158573660 0.51397708728306 18.998 29 F 0.04696144623321 0.84229596348535 0.19154347529029 18.998 30 F 0.31876720414526 0.20993988132233 0.86410066988148 18.998 31 F 0.11464549130915 0.17648595834566 0.57777681912287 18.998 32 F 0.04696144623321 0.65770403651465 0.69154347529029 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.986985800428049 0.000000000000000 0.000000000000000 b 0.000000000000000 5.134075649999999 0.000000000000000 c -3.325815394021561 0.000000000000000 9.211369442966918 Atomic positions (fractional): *1 Li 0.86907845522922 0.52707072118461 0.12321396383990 6.941 > 1 2 Li 0.86907845522922 0.97292927881539 0.62321396383990 6.941 > 2 *3 Li 0.65695671864372 0.99058689064253 0.32589482494266 6.941 > 3 4 Li 0.34304328135628 0.49058689064253 0.17410517505734 6.941 > 4 5 Li 0.65695671864372 0.50941310935747 0.82589482494266 6.941 > 5 6 Li 0.34304328135628 0.00941310935747 0.67410517505734 6.941 > 6 7 Li 0.13092154477078 0.02707072118461 0.37678603616010 6.941 > 7 8 Li 0.13092154477078 0.47292927881538 0.87678603616010 6.941 > 8 *9 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 9 10 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 10 *11 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 11 12 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 12 *13 F 0.95303855376679 0.34229596348535 0.30845652470971 18.998 > 13 *14 F 0.88535450869085 0.82351404165434 0.42222318087714 18.998 > 14 *15 F 0.68123279585474 0.79006011867767 0.13589933011852 18.998 > 15 16 F 0.95303855376679 0.15770403651465 0.80845652470971 18.998 > 16 *17 F 0.73195282051980 0.20718841426340 0.48602291271694 18.998 > 17 18 F 0.88535450869085 0.67648595834566 0.92222318087713 18.998 > 18 *19 F 0.50059633261126 0.20252222684359 0.16919963860057 18.998 > 19 20 F 0.68123279585474 0.70993988132233 0.63589933011852 18.998 > 20 21 F 0.49940366738874 0.70252222684359 0.33080036139943 18.998 > 21 22 F 0.73195282051980 0.29281158573660 0.98602291271694 18.998 > 22 23 F 0.26804717948020 0.70718841426340 0.01397708728306 18.998 > 23 24 F 0.50059633261126 0.29747777315641 0.66919963860057 18.998 > 24 25 F 0.31876720414526 0.29006011867767 0.36410066988148 18.998 > 25 26 F 0.49940366738874 0.79747777315641 0.83080036139943 18.998 > 26 27 F 0.11464549130915 0.32351404165434 0.07777681912287 18.998 > 27 28 F 0.26804717948020 0.79281158573660 0.51397708728306 18.998 > 28 29 F 0.04696144623321 0.84229596348535 0.19154347529029 18.998 > 29 30 F 0.31876720414526 0.20993988132233 0.86410066988148 18.998 > 30 31 F 0.11464549130915 0.17648595834566 0.57777681912287 18.998 > 31 32 F 0.04696144623321 0.65770403651465 0.69154347529029 18.998 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.973971600856098 0.000000000000000 0.000000000000000 b 0.000000000000000 10.268151299999998 0.000000000000000 c -3.325815394021561 0.000000000000000 9.211369442966918 Atomic positions (fractional): *1 Li 0.43453922761461 0.26353536059231 0.12321396383990 6.941 > 1 2 Li 0.93453922761461 0.26353536059231 0.12321396383990 6.941 > 1 3 Li 0.43453922761461 0.76353536059231 0.12321396383990 6.941 > 1 4 Li 0.93453922761461 0.76353536059231 0.12321396383990 6.941 > 1 5 Li 0.43453922761461 0.48646463940769 0.62321396383990 6.941 > 2 6 Li 0.93453922761461 0.48646463940769 0.62321396383990 6.941 > 2 7 Li 0.43453922761461 0.98646463940769 0.62321396383990 6.941 > 2 8 Li 0.93453922761461 0.98646463940769 0.62321396383990 6.941 > 2 *9 Li 0.32847835932186 0.49529344532127 0.32589482494266 6.941 > 3 10 Li 0.82847835932186 0.49529344532127 0.32589482494266 6.941 > 3 11 Li 0.32847835932186 0.99529344532127 0.32589482494266 6.941 > 3 12 Li 0.82847835932186 0.99529344532127 0.32589482494266 6.941 > 3 13 Li 0.17152164067814 0.24529344532127 0.17410517505734 6.941 > 4 14 Li 0.67152164067814 0.24529344532127 0.17410517505734 6.941 > 4 15 Li 0.17152164067814 0.74529344532127 0.17410517505734 6.941 > 4 16 Li 0.67152164067814 0.74529344532127 0.17410517505734 6.941 > 4 17 Li 0.32847835932186 0.25470655467873 0.82589482494266 6.941 > 5 18 Li 0.82847835932186 0.25470655467873 0.82589482494266 6.941 > 5 19 Li 0.32847835932186 0.75470655467873 0.82589482494266 6.941 > 5 20 Li 0.82847835932186 0.75470655467873 0.82589482494266 6.941 > 5 21 Li 0.17152164067814 0.00470655467873 0.67410517505734 6.941 > 6 22 Li 0.67152164067814 0.00470655467873 0.67410517505734 6.941 > 6 23 Li 0.17152164067814 0.50470655467873 0.67410517505734 6.941 > 6 24 Li 0.67152164067814 0.50470655467873 0.67410517505734 6.941 > 6 25 Li 0.06546077238539 0.01353536059231 0.37678603616010 6.941 > 7 26 Li 0.56546077238539 0.01353536059231 0.37678603616010 6.941 > 7 27 Li 0.06546077238539 0.51353536059231 0.37678603616010 6.941 > 7 28 Li 0.56546077238539 0.51353536059231 0.37678603616010 6.941 > 7 29 Li 0.06546077238539 0.23646463940769 0.87678603616010 6.941 > 8 30 Li 0.56546077238539 0.23646463940769 0.87678603616010 6.941 > 8 31 Li 0.06546077238539 0.73646463940769 0.87678603616010 6.941 > 8 32 Li 0.56546077238539 0.73646463940769 0.87678603616010 6.941 > 8 *33 Ag 0.00000000000000 0.25000000000000 0.50000000000000 107.868 > 9 34 Ag 0.50000000000000 0.25000000000000 0.50000000000000 107.868 > 9 35 Ag 0.00000000000000 0.75000000000000 0.50000000000000 107.868 > 9 36 Ag 0.50000000000000 0.75000000000000 0.50000000000000 107.868 > 9 37 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 10 38 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 10 39 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 10 40 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 10 *41 Ag 0.25000000000000 0.25000000000000 0.50000000000000 107.868 > 11 42 Ag 0.75000000000000 0.25000000000000 0.50000000000000 107.868 > 11 43 Ag 0.25000000000000 0.75000000000000 0.50000000000000 107.868 > 11 44 Ag 0.75000000000000 0.75000000000000 0.50000000000000 107.868 > 11 45 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 12 46 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 12 47 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 12 48 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 12 *49 F 0.47651927688340 0.17114798174268 0.30845652470971 18.998 > 13 50 F 0.97651927688340 0.17114798174268 0.30845652470971 18.998 > 13 51 F 0.47651927688340 0.67114798174268 0.30845652470971 18.998 > 13 52 F 0.97651927688340 0.67114798174268 0.30845652470971 18.998 > 13 *53 F 0.44267725434543 0.41175702082717 0.42222318087714 18.998 > 14 54 F 0.94267725434543 0.41175702082717 0.42222318087714 18.998 > 14 55 F 0.44267725434543 0.91175702082717 0.42222318087714 18.998 > 14 56 F 0.94267725434543 0.91175702082717 0.42222318087714 18.998 > 14 *57 F 0.34061639792737 0.39503005933883 0.13589933011852 18.998 > 15 58 F 0.84061639792737 0.39503005933883 0.13589933011852 18.998 > 15 59 F 0.34061639792737 0.89503005933883 0.13589933011852 18.998 > 15 60 F 0.84061639792737 0.89503005933883 0.13589933011852 18.998 > 15 61 F 0.47651927688340 0.07885201825732 0.80845652470971 18.998 > 16 62 F 0.97651927688340 0.07885201825732 0.80845652470971 18.998 > 16 63 F 0.47651927688340 0.57885201825732 0.80845652470971 18.998 > 16 64 F 0.97651927688340 0.57885201825732 0.80845652470971 18.998 > 16 *65 F 0.36597641025990 0.10359420713170 0.48602291271694 18.998 > 17 66 F 0.86597641025990 0.10359420713170 0.48602291271694 18.998 > 17 67 F 0.36597641025990 0.60359420713170 0.48602291271694 18.998 > 17 68 F 0.86597641025990 0.60359420713170 0.48602291271694 18.998 > 17 69 F 0.44267725434543 0.33824297917283 0.92222318087713 18.998 > 18 70 F 0.94267725434543 0.33824297917283 0.92222318087713 18.998 > 18 71 F 0.44267725434543 0.83824297917283 0.92222318087713 18.998 > 18 72 F 0.94267725434543 0.83824297917283 0.92222318087713 18.998 > 18 *73 F 0.25029816630563 0.10126111342180 0.16919963860057 18.998 > 19 74 F 0.75029816630563 0.10126111342180 0.16919963860057 18.998 > 19 75 F 0.25029816630563 0.60126111342180 0.16919963860057 18.998 > 19 76 F 0.75029816630563 0.60126111342180 0.16919963860057 18.998 > 19 77 F 0.34061639792737 0.35496994066117 0.63589933011852 18.998 > 20 78 F 0.84061639792737 0.35496994066117 0.63589933011852 18.998 > 20 79 F 0.34061639792737 0.85496994066117 0.63589933011852 18.998 > 20 80 F 0.84061639792737 0.85496994066117 0.63589933011852 18.998 > 20 81 F 0.24970183369437 0.35126111342180 0.33080036139943 18.998 > 21 82 F 0.74970183369437 0.35126111342180 0.33080036139943 18.998 > 21 83 F 0.24970183369437 0.85126111342180 0.33080036139943 18.998 > 21 84 F 0.74970183369437 0.85126111342180 0.33080036139943 18.998 > 21 85 F 0.36597641025990 0.14640579286830 0.98602291271694 18.998 > 22 86 F 0.86597641025990 0.14640579286830 0.98602291271694 18.998 > 22 87 F 0.36597641025990 0.64640579286830 0.98602291271694 18.998 > 22 88 F 0.86597641025990 0.64640579286830 0.98602291271694 18.998 > 22 89 F 0.13402358974010 0.35359420713170 0.01397708728306 18.998 > 23 90 F 0.63402358974010 0.35359420713170 0.01397708728306 18.998 > 23 91 F 0.13402358974010 0.85359420713170 0.01397708728306 18.998 > 23 92 F 0.63402358974010 0.85359420713170 0.01397708728306 18.998 > 23 93 F 0.25029816630563 0.14873888657820 0.66919963860057 18.998 > 24 94 F 0.75029816630563 0.14873888657820 0.66919963860057 18.998 > 24 95 F 0.25029816630563 0.64873888657820 0.66919963860057 18.998 > 24 96 F 0.75029816630563 0.64873888657820 0.66919963860057 18.998 > 24 97 F 0.15938360207263 0.14503005933883 0.36410066988148 18.998 > 25 98 F 0.65938360207263 0.14503005933883 0.36410066988148 18.998 > 25 99 F 0.15938360207263 0.64503005933883 0.36410066988148 18.998 > 25 100 F 0.65938360207263 0.64503005933883 0.36410066988148 18.998 > 25 101 F 0.24970183369437 0.39873888657820 0.83080036139943 18.998 > 26 102 F 0.74970183369437 0.39873888657820 0.83080036139943 18.998 > 26 103 F 0.24970183369437 0.89873888657820 0.83080036139943 18.998 > 26 104 F 0.74970183369437 0.89873888657820 0.83080036139943 18.998 > 26 105 F 0.05732274565457 0.16175702082717 0.07777681912287 18.998 > 27 106 F 0.55732274565457 0.16175702082717 0.07777681912287 18.998 > 27 107 F 0.05732274565457 0.66175702082717 0.07777681912287 18.998 > 27 108 F 0.55732274565457 0.66175702082717 0.07777681912287 18.998 > 27 109 F 0.13402358974010 0.39640579286830 0.51397708728306 18.998 > 28 110 F 0.63402358974010 0.39640579286830 0.51397708728306 18.998 > 28 111 F 0.13402358974010 0.89640579286830 0.51397708728306 18.998 > 28 112 F 0.63402358974010 0.89640579286830 0.51397708728306 18.998 > 28 113 F 0.02348072311660 0.42114798174268 0.19154347529029 18.998 > 29 114 F 0.52348072311660 0.42114798174268 0.19154347529029 18.998 > 29 115 F 0.02348072311660 0.92114798174268 0.19154347529029 18.998 > 29 116 F 0.52348072311660 0.92114798174268 0.19154347529029 18.998 > 29 117 F 0.15938360207263 0.10496994066117 0.86410066988148 18.998 > 30 118 F 0.65938360207263 0.10496994066117 0.86410066988148 18.998 > 30 119 F 0.15938360207263 0.60496994066117 0.86410066988148 18.998 > 30 120 F 0.65938360207263 0.60496994066117 0.86410066988148 18.998 > 30 121 F 0.05732274565457 0.08824297917283 0.57777681912287 18.998 > 31 122 F 0.55732274565457 0.08824297917283 0.57777681912287 18.998 > 31 123 F 0.05732274565457 0.58824297917283 0.57777681912287 18.998 > 31 124 F 0.55732274565457 0.58824297917283 0.57777681912287 18.998 > 31 125 F 0.02348072311660 0.32885201825732 0.69154347529029 18.998 > 32 126 F 0.52348072311660 0.32885201825732 0.69154347529029 18.998 > 32 127 F 0.02348072311660 0.82885201825732 0.69154347529029 18.998 > 32 128 F 0.52348072311660 0.82885201825732 0.69154347529029 18.998 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8897804 0.0000000 0.0772131 0.0000000 7.2459822 0.0000000 0.0772176 0.0000000 3.3509858 -------------------------- Born effective charges -------------------------- 1 Li 1.0026858 -0.1180256 -0.1915661 -0.2166984 1.0748714 -0.1827648 0.0098451 -0.2747322 1.1327007 2 Li 1.0026858 0.1180256 -0.1915661 0.2166984 1.0748714 0.1827648 0.0098451 0.2747322 1.1327007 3 Li 1.1088130 0.1654766 0.2786795 -0.0792235 0.9830412 -0.3286652 0.0212356 -0.1329492 1.2945340 4 Li 1.1088130 -0.1654766 0.2786795 0.0792235 0.9830412 0.3286652 0.0212356 0.1329492 1.2945340 5 Li 1.1088130 -0.1654766 0.2786795 0.0792235 0.9830412 0.3286652 0.0212356 0.1329492 1.2945340 6 Li 1.1088130 0.1654766 0.2786795 -0.0792235 0.9830412 -0.3286652 0.0212356 -0.1329492 1.2945340 7 Li 1.0026858 0.1180256 -0.1915661 0.2166984 1.0748714 0.1827648 0.0098451 0.2747322 1.1327007 8 Li 1.0026858 -0.1180256 -0.1915661 -0.2166984 1.0748714 -0.1827648 0.0098451 -0.2747322 1.1327007 9 Ag 1.3807764 -0.3265870 0.3142458 0.5869465 2.5592005 -0.6763298 0.0134941 -0.0898803 2.2767417 10 Ag 1.3807764 0.3265870 0.3142458 -0.5869465 2.5592005 0.6763298 0.0134941 0.0898803 2.2767417 11 Ag 2.1487966 0.1215950 -0.0133872 -0.1736195 2.1337835 0.3063093 0.1339051 0.0152121 2.4044429 12 Ag 2.1487966 -0.1215950 -0.0133872 0.1736195 2.1337835 -0.3063093 0.1339051 -0.0152121 2.4044429 13 F -0.5401032 0.0203515 0.1583061 -0.1075390 -0.5848335 -0.1641673 0.1159062 -0.1586521 -1.3176203 14 F -0.4658442 0.0040087 -0.5732818 -0.2105305 -0.7332113 0.9838196 -0.1149485 0.2928402 -0.6844573 15 F -0.9009827 0.3375206 -0.2161607 0.1551113 -0.7649065 0.4073302 -0.2555051 0.3976221 -0.7988156 16 F -0.5401032 -0.0203515 0.1583061 0.1075390 -0.5848335 0.1641673 0.1159062 0.1586521 -1.3176203 17 F -1.2948939 0.3304659 0.2067522 0.2355874 -1.5514993 -0.3782400 -0.0980817 -0.0024106 -0.9008571 18 F -0.4658442 -0.0040087 -0.5732818 0.2105305 -0.7332113 -0.9838196 -0.1149485 -0.2928402 -0.6844573 19 F -0.6744611 0.1475545 0.1868415 -0.0110339 -0.7699541 -0.2018553 0.2478488 -0.3858658 -1.0660768 20 F -0.9009827 -0.3375206 -0.2161607 -0.1551113 -0.7649065 -0.4073302 -0.2555051 -0.3976221 -0.7988156 21 F -0.6744611 -0.1475545 0.1868415 0.0110339 -0.7699541 0.2018553 0.2478488 0.3858658 -1.0660768 22 F -1.2948939 -0.3304659 0.2067522 -0.2355874 -1.5514993 0.3782400 -0.0980817 0.0024106 -0.9008571 23 F -1.2948939 -0.3304659 0.2067522 -0.2355874 -1.5514993 0.3782400 -0.0980817 0.0024106 -0.9008571 24 F -0.6744611 -0.1475545 0.1868415 0.0110339 -0.7699541 0.2018553 0.2478488 0.3858658 -1.0660768 25 F -0.9009827 -0.3375206 -0.2161607 -0.1551113 -0.7649065 -0.4073302 -0.2555051 -0.3976221 -0.7988156 26 F -0.6744611 0.1475545 0.1868415 -0.0110339 -0.7699541 -0.2018553 0.2478488 -0.3858658 -1.0660768 27 F -0.4658442 -0.0040087 -0.5732818 0.2105305 -0.7332113 -0.9838196 -0.1149485 -0.2928402 -0.6844573 28 F -1.2948939 0.3304659 0.2067522 0.2355874 -1.5514993 -0.3782400 -0.0980817 -0.0024106 -0.9008571 29 F -0.5401032 -0.0203515 0.1583061 0.1075390 -0.5848335 0.1641673 0.1159062 0.1586521 -1.3176203 30 F -0.9009827 0.3375206 -0.2161607 0.1551113 -0.7649065 0.4073302 -0.2555051 0.3976221 -0.7988156 31 F -0.4658442 0.0040087 -0.5732818 -0.2105305 -0.7332113 0.9838196 -0.1149485 0.2928402 -0.6844573 32 F -0.5401032 0.0203515 0.1583061 -0.1075390 -0.5848335 -0.1641673 0.1159062 -0.1586521 -1.3176203 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4770 Number of blocks in projector: 4770 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: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 234 eigenvectors found. (2) Block: 528 / 528 (2) 262 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 234 eigenvectors found. (2) Block: 528 / 528 (2) 262 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 237 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 515 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4770, 4690), data: False |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (1028, 1011), data: False |-- (1028, 13), data: (1028, 30) @ (30, 13) |-- (528, 515), data: False |-- (528, 11), data: (528, 24) @ (24, 11) |-- (278, 267), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1028, 1010), data: False |-- (1028, 18), data: (1028, 36) @ (36, 18) |-- (528, 510), data: False |-- (528, 14), data: (528, 32) @ (32, 14) |-- (278, 262), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (1028, 1010), data: False |-- (1028, 18), data: (1028, 36) @ (36, 18) |-- (528, 510), data: False |-- (528, 14), data: (528, 32) @ (32, 14) |-- (278, 262), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.390 Solver_block: 200 / 960 - Time: 1.211 Solver_block: 300 / 960 - Time: 1.214 Solver_block: 400 / 960 - Time: 1.217 Solver_block: 500 / 960 - Time: 1.213 Solver_block: 600 / 960 - Time: 1.215 Solver_block: 700 / 960 - Time: 1.219 Solver_block: 800 / 960 - Time: 1.217 Solver_block: 900 / 960 - Time: 1.221 Solver_block: 960 / 960 - Time: 0.855 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.290 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4770 Number of blocks in projector: 4770 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: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 234 eigenvectors found. (2) Block: 528 / 528 (2) 262 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 234 eigenvectors found. (2) Block: 528 / 528 (2) 262 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1028 Use submatrix version of eigh solver. (1) Block: 500 / 1028 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1028 / 1028 (2) Block: 250 / 528 (2) 237 eigenvectors found. (2) Block: 528 / 528 (2) 267 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 515 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 562 Use submatrix version of eigh solver. (1) Block: 562 / 562 (2) Block: 250 / 562 (2) 241 eigenvectors found. (2) Block: 500 / 562 (2) 242 eigenvectors found. (2) Block: 562 / 562 (2) 53 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 553 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4770, 4690), data: False |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (562, 553), data: False |-- (562, 553), data: False |-- (562, 17), data: (562, 26) @ (26, 17) |-- (62, 53), data: True |-- (250, 242), data: True |-- (250, 241), data: True |-- (1028, 1011), data: False |-- (1028, 13), data: (1028, 30) @ (30, 13) |-- (528, 515), data: False |-- (528, 11), data: (528, 24) @ (24, 11) |-- (278, 267), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (1028, 1010), data: False |-- (1028, 18), data: (1028, 36) @ (36, 18) |-- (528, 510), data: False |-- (528, 14), data: (528, 32) @ (32, 14) |-- (278, 262), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (1028, 1010), data: False |-- (1028, 18), data: (1028, 36) @ (36, 18) |-- (528, 510), data: False |-- (528, 14), data: (528, 32) @ (32, 14) |-- (278, 262), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), 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 2026-01-09 00:33:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:33:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.986985800428049 0.000000000000000 0.000000000000000 b 0.000000000000000 5.134075649999999 0.000000000000000 c -3.325815394021561 0.000000000000000 9.211369442966918 Atomic positions (fractional): 1 Li 0.86907845522922 0.52707072118461 0.12321396383990 6.941 2 Li 0.86907845522922 0.97292927881539 0.62321396383990 6.941 3 Li 0.65695671864372 0.99058689064253 0.32589482494266 6.941 4 Li 0.34304328135628 0.49058689064253 0.17410517505734 6.941 5 Li 0.65695671864372 0.50941310935747 0.82589482494266 6.941 6 Li 0.34304328135628 0.00941310935747 0.67410517505734 6.941 7 Li 0.13092154477078 0.02707072118461 0.37678603616010 6.941 8 Li 0.13092154477078 0.47292927881538 0.87678603616010 6.941 9 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 10 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 11 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 12 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 13 F 0.95303855376679 0.34229596348535 0.30845652470971 18.998 14 F 0.88535450869085 0.82351404165434 0.42222318087714 18.998 15 F 0.68123279585474 0.79006011867767 0.13589933011852 18.998 16 F 0.95303855376679 0.15770403651465 0.80845652470971 18.998 17 F 0.73195282051980 0.20718841426340 0.48602291271694 18.998 18 F 0.88535450869085 0.67648595834566 0.92222318087713 18.998 19 F 0.50059633261126 0.20252222684359 0.16919963860057 18.998 20 F 0.68123279585474 0.70993988132233 0.63589933011852 18.998 21 F 0.49940366738874 0.70252222684359 0.33080036139943 18.998 22 F 0.73195282051980 0.29281158573660 0.98602291271694 18.998 23 F 0.26804717948020 0.70718841426340 0.01397708728306 18.998 24 F 0.50059633261126 0.29747777315641 0.66919963860057 18.998 25 F 0.31876720414526 0.29006011867767 0.36410066988148 18.998 26 F 0.49940366738874 0.79747777315641 0.83080036139943 18.998 27 F 0.11464549130915 0.32351404165434 0.07777681912287 18.998 28 F 0.26804717948020 0.79281158573660 0.51397708728306 18.998 29 F 0.04696144623321 0.84229596348535 0.19154347529029 18.998 30 F 0.31876720414526 0.20993988132233 0.86410066988148 18.998 31 F 0.11464549130915 0.17648595834566 0.57777681912287 18.998 32 F 0.04696144623321 0.65770403651465 0.69154347529029 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.973971600856098 0.000000000000000 0.000000000000000 b 0.000000000000000 10.268151299999998 0.000000000000000 c -3.325815394021561 0.000000000000000 9.211369442966918 Atomic positions (fractional): 1 Li 0.43453922761461 0.26353536059231 0.12321396383990 6.941 > 1 2 Li 0.93453922761461 0.26353536059231 0.12321396383990 6.941 > 1 3 Li 0.43453922761461 0.76353536059231 0.12321396383990 6.941 > 1 4 Li 0.93453922761461 0.76353536059231 0.12321396383990 6.941 > 1 5 Li 0.43453922761461 0.48646463940769 0.62321396383990 6.941 > 5 6 Li 0.93453922761461 0.48646463940769 0.62321396383990 6.941 > 5 7 Li 0.43453922761461 0.98646463940769 0.62321396383990 6.941 > 5 8 Li 0.93453922761461 0.98646463940769 0.62321396383990 6.941 > 5 9 Li 0.32847835932186 0.49529344532127 0.32589482494266 6.941 > 9 10 Li 0.82847835932186 0.49529344532127 0.32589482494266 6.941 > 9 11 Li 0.32847835932186 0.99529344532127 0.32589482494266 6.941 > 9 12 Li 0.82847835932186 0.99529344532127 0.32589482494266 6.941 > 9 13 Li 0.17152164067814 0.24529344532127 0.17410517505734 6.941 > 13 14 Li 0.67152164067814 0.24529344532127 0.17410517505734 6.941 > 13 15 Li 0.17152164067814 0.74529344532127 0.17410517505734 6.941 > 13 16 Li 0.67152164067814 0.74529344532127 0.17410517505734 6.941 > 13 17 Li 0.32847835932186 0.25470655467873 0.82589482494266 6.941 > 17 18 Li 0.82847835932186 0.25470655467873 0.82589482494266 6.941 > 17 19 Li 0.32847835932186 0.75470655467873 0.82589482494266 6.941 > 17 20 Li 0.82847835932186 0.75470655467873 0.82589482494266 6.941 > 17 21 Li 0.17152164067814 0.00470655467873 0.67410517505734 6.941 > 21 22 Li 0.67152164067814 0.00470655467873 0.67410517505734 6.941 > 21 23 Li 0.17152164067814 0.50470655467873 0.67410517505734 6.941 > 21 24 Li 0.67152164067814 0.50470655467873 0.67410517505734 6.941 > 21 25 Li 0.06546077238539 0.01353536059231 0.37678603616010 6.941 > 25 26 Li 0.56546077238539 0.01353536059231 0.37678603616010 6.941 > 25 27 Li 0.06546077238539 0.51353536059231 0.37678603616010 6.941 > 25 28 Li 0.56546077238539 0.51353536059231 0.37678603616010 6.941 > 25 29 Li 0.06546077238539 0.23646463940769 0.87678603616010 6.941 > 29 30 Li 0.56546077238539 0.23646463940769 0.87678603616010 6.941 > 29 31 Li 0.06546077238539 0.73646463940769 0.87678603616010 6.941 > 29 32 Li 0.56546077238539 0.73646463940769 0.87678603616010 6.941 > 29 33 Ag 0.00000000000000 0.25000000000000 0.50000000000000 107.868 > 33 34 Ag 0.50000000000000 0.25000000000000 0.50000000000000 107.868 > 33 35 Ag 0.00000000000000 0.75000000000000 0.50000000000000 107.868 > 33 36 Ag 0.50000000000000 0.75000000000000 0.50000000000000 107.868 > 33 37 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 37 38 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 37 39 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 37 40 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 37 41 Ag 0.25000000000000 0.25000000000000 0.50000000000000 107.868 > 41 42 Ag 0.75000000000000 0.25000000000000 0.50000000000000 107.868 > 41 43 Ag 0.25000000000000 0.75000000000000 0.50000000000000 107.868 > 41 44 Ag 0.75000000000000 0.75000000000000 0.50000000000000 107.868 > 41 45 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 45 46 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 45 47 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 45 48 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 45 49 F 0.47651927688340 0.17114798174268 0.30845652470971 18.998 > 49 50 F 0.97651927688340 0.17114798174268 0.30845652470971 18.998 > 49 51 F 0.47651927688340 0.67114798174268 0.30845652470971 18.998 > 49 52 F 0.97651927688340 0.67114798174268 0.30845652470971 18.998 > 49 53 F 0.44267725434543 0.41175702082717 0.42222318087714 18.998 > 53 54 F 0.94267725434543 0.41175702082717 0.42222318087714 18.998 > 53 55 F 0.44267725434543 0.91175702082717 0.42222318087714 18.998 > 53 56 F 0.94267725434543 0.91175702082717 0.42222318087714 18.998 > 53 57 F 0.34061639792737 0.39503005933883 0.13589933011852 18.998 > 57 58 F 0.84061639792737 0.39503005933883 0.13589933011852 18.998 > 57 59 F 0.34061639792737 0.89503005933883 0.13589933011852 18.998 > 57 60 F 0.84061639792737 0.89503005933883 0.13589933011852 18.998 > 57 61 F 0.47651927688340 0.07885201825732 0.80845652470971 18.998 > 61 62 F 0.97651927688340 0.07885201825732 0.80845652470971 18.998 > 61 63 F 0.47651927688340 0.57885201825732 0.80845652470971 18.998 > 61 64 F 0.97651927688340 0.57885201825732 0.80845652470971 18.998 > 61 65 F 0.36597641025990 0.10359420713170 0.48602291271694 18.998 > 65 66 F 0.86597641025990 0.10359420713170 0.48602291271694 18.998 > 65 67 F 0.36597641025990 0.60359420713170 0.48602291271694 18.998 > 65 68 F 0.86597641025990 0.60359420713170 0.48602291271694 18.998 > 65 69 F 0.44267725434543 0.33824297917283 0.92222318087713 18.998 > 69 70 F 0.94267725434543 0.33824297917283 0.92222318087713 18.998 > 69 71 F 0.44267725434543 0.83824297917283 0.92222318087713 18.998 > 69 72 F 0.94267725434543 0.83824297917283 0.92222318087713 18.998 > 69 73 F 0.25029816630563 0.10126111342180 0.16919963860057 18.998 > 73 74 F 0.75029816630563 0.10126111342180 0.16919963860057 18.998 > 73 75 F 0.25029816630563 0.60126111342180 0.16919963860057 18.998 > 73 76 F 0.75029816630563 0.60126111342180 0.16919963860057 18.998 > 73 77 F 0.34061639792737 0.35496994066117 0.63589933011852 18.998 > 77 78 F 0.84061639792737 0.35496994066117 0.63589933011852 18.998 > 77 79 F 0.34061639792737 0.85496994066117 0.63589933011852 18.998 > 77 80 F 0.84061639792737 0.85496994066117 0.63589933011852 18.998 > 77 81 F 0.24970183369437 0.35126111342180 0.33080036139943 18.998 > 81 82 F 0.74970183369437 0.35126111342180 0.33080036139943 18.998 > 81 83 F 0.24970183369437 0.85126111342180 0.33080036139943 18.998 > 81 84 F 0.74970183369437 0.85126111342180 0.33080036139943 18.998 > 81 85 F 0.36597641025990 0.14640579286830 0.98602291271694 18.998 > 85 86 F 0.86597641025990 0.14640579286830 0.98602291271694 18.998 > 85 87 F 0.36597641025990 0.64640579286830 0.98602291271694 18.998 > 85 88 F 0.86597641025990 0.64640579286830 0.98602291271694 18.998 > 85 89 F 0.13402358974010 0.35359420713170 0.01397708728306 18.998 > 89 90 F 0.63402358974010 0.35359420713170 0.01397708728306 18.998 > 89 91 F 0.13402358974010 0.85359420713170 0.01397708728306 18.998 > 89 92 F 0.63402358974010 0.85359420713170 0.01397708728306 18.998 > 89 93 F 0.25029816630563 0.14873888657820 0.66919963860057 18.998 > 93 94 F 0.75029816630563 0.14873888657820 0.66919963860057 18.998 > 93 95 F 0.25029816630563 0.64873888657820 0.66919963860057 18.998 > 93 96 F 0.75029816630563 0.64873888657820 0.66919963860057 18.998 > 93 97 F 0.15938360207263 0.14503005933883 0.36410066988148 18.998 > 97 98 F 0.65938360207263 0.14503005933883 0.36410066988148 18.998 > 97 99 F 0.15938360207263 0.64503005933883 0.36410066988148 18.998 > 97 100 F 0.65938360207263 0.64503005933883 0.36410066988148 18.998 > 97 101 F 0.24970183369437 0.39873888657820 0.83080036139943 18.998 > 101 102 F 0.74970183369437 0.39873888657820 0.83080036139943 18.998 > 101 103 F 0.24970183369437 0.89873888657820 0.83080036139943 18.998 > 101 104 F 0.74970183369437 0.89873888657820 0.83080036139943 18.998 > 101 105 F 0.05732274565457 0.16175702082717 0.07777681912287 18.998 > 105 106 F 0.55732274565457 0.16175702082717 0.07777681912287 18.998 > 105 107 F 0.05732274565457 0.66175702082717 0.07777681912287 18.998 > 105 108 F 0.55732274565457 0.66175702082717 0.07777681912287 18.998 > 105 109 F 0.13402358974010 0.39640579286830 0.51397708728306 18.998 > 109 110 F 0.63402358974010 0.39640579286830 0.51397708728306 18.998 > 109 111 F 0.13402358974010 0.89640579286830 0.51397708728306 18.998 > 109 112 F 0.63402358974010 0.89640579286830 0.51397708728306 18.998 > 109 113 F 0.02348072311660 0.42114798174268 0.19154347529029 18.998 > 113 114 F 0.52348072311660 0.42114798174268 0.19154347529029 18.998 > 113 115 F 0.02348072311660 0.92114798174268 0.19154347529029 18.998 > 113 116 F 0.52348072311660 0.92114798174268 0.19154347529029 18.998 > 113 117 F 0.15938360207263 0.10496994066117 0.86410066988148 18.998 > 117 118 F 0.65938360207263 0.10496994066117 0.86410066988148 18.998 > 117 119 F 0.15938360207263 0.60496994066117 0.86410066988148 18.998 > 117 120 F 0.65938360207263 0.60496994066117 0.86410066988148 18.998 > 117 121 F 0.05732274565457 0.08824297917283 0.57777681912287 18.998 > 121 122 F 0.55732274565457 0.08824297917283 0.57777681912287 18.998 > 121 123 F 0.05732274565457 0.58824297917283 0.57777681912287 18.998 > 121 124 F 0.55732274565457 0.58824297917283 0.57777681912287 18.998 > 121 125 F 0.02348072311660 0.32885201825732 0.69154347529029 18.998 > 125 126 F 0.52348072311660 0.32885201825732 0.69154347529029 18.998 > 125 127 F 0.02348072311660 0.82885201825732 0.69154347529029 18.998 > 125 128 F 0.52348072311660 0.82885201825732 0.69154347529029 18.998 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8897804 0.0000000 0.0772131 0.0000000 7.2459822 0.0000000 0.0772176 0.0000000 3.3509858 -------------------------- Born effective charges -------------------------- 1 Li 1.0026858 -0.1180256 -0.1915661 -0.2166984 1.0748714 -0.1827648 0.0098451 -0.2747322 1.1327007 2 Li 1.0026858 0.1180256 -0.1915661 0.2166984 1.0748714 0.1827648 0.0098451 0.2747322 1.1327007 3 Li 1.1088130 0.1654766 0.2786795 -0.0792235 0.9830412 -0.3286652 0.0212356 -0.1329492 1.2945340 4 Li 1.1088130 -0.1654766 0.2786795 0.0792235 0.9830412 0.3286652 0.0212356 0.1329492 1.2945340 5 Li 1.1088130 -0.1654766 0.2786795 0.0792235 0.9830412 0.3286652 0.0212356 0.1329492 1.2945340 6 Li 1.1088130 0.1654766 0.2786795 -0.0792235 0.9830412 -0.3286652 0.0212356 -0.1329492 1.2945340 7 Li 1.0026858 0.1180256 -0.1915661 0.2166984 1.0748714 0.1827648 0.0098451 0.2747322 1.1327007 8 Li 1.0026858 -0.1180256 -0.1915661 -0.2166984 1.0748714 -0.1827648 0.0098451 -0.2747322 1.1327007 9 Ag 1.3807764 -0.3265870 0.3142458 0.5869465 2.5592005 -0.6763298 0.0134941 -0.0898803 2.2767417 10 Ag 1.3807764 0.3265870 0.3142458 -0.5869465 2.5592005 0.6763298 0.0134941 0.0898803 2.2767417 11 Ag 2.1487966 0.1215950 -0.0133872 -0.1736195 2.1337835 0.3063093 0.1339051 0.0152121 2.4044429 12 Ag 2.1487966 -0.1215950 -0.0133872 0.1736195 2.1337835 -0.3063093 0.1339051 -0.0152121 2.4044429 13 F -0.5401032 0.0203515 0.1583061 -0.1075390 -0.5848335 -0.1641673 0.1159062 -0.1586521 -1.3176203 14 F -0.4658442 0.0040087 -0.5732818 -0.2105305 -0.7332113 0.9838196 -0.1149485 0.2928402 -0.6844573 15 F -0.9009827 0.3375206 -0.2161607 0.1551113 -0.7649065 0.4073302 -0.2555051 0.3976221 -0.7988156 16 F -0.5401032 -0.0203515 0.1583061 0.1075390 -0.5848335 0.1641673 0.1159062 0.1586521 -1.3176203 17 F -1.2948939 0.3304659 0.2067522 0.2355874 -1.5514993 -0.3782400 -0.0980817 -0.0024106 -0.9008571 18 F -0.4658442 -0.0040087 -0.5732818 0.2105305 -0.7332113 -0.9838196 -0.1149485 -0.2928402 -0.6844573 19 F -0.6744611 0.1475545 0.1868415 -0.0110339 -0.7699541 -0.2018553 0.2478488 -0.3858658 -1.0660768 20 F -0.9009827 -0.3375206 -0.2161607 -0.1551113 -0.7649065 -0.4073302 -0.2555051 -0.3976221 -0.7988156 21 F -0.6744611 -0.1475545 0.1868415 0.0110339 -0.7699541 0.2018553 0.2478488 0.3858658 -1.0660768 22 F -1.2948939 -0.3304659 0.2067522 -0.2355874 -1.5514993 0.3782400 -0.0980817 0.0024106 -0.9008571 23 F -1.2948939 -0.3304659 0.2067522 -0.2355874 -1.5514993 0.3782400 -0.0980817 0.0024106 -0.9008571 24 F -0.6744611 -0.1475545 0.1868415 0.0110339 -0.7699541 0.2018553 0.2478488 0.3858658 -1.0660768 25 F -0.9009827 -0.3375206 -0.2161607 -0.1551113 -0.7649065 -0.4073302 -0.2555051 -0.3976221 -0.7988156 26 F -0.6744611 0.1475545 0.1868415 -0.0110339 -0.7699541 -0.2018553 0.2478488 -0.3858658 -1.0660768 27 F -0.4658442 -0.0040087 -0.5732818 0.2105305 -0.7332113 -0.9838196 -0.1149485 -0.2928402 -0.6844573 28 F -1.2948939 0.3304659 0.2067522 0.2355874 -1.5514993 -0.3782400 -0.0980817 -0.0024106 -0.9008571 29 F -0.5401032 -0.0203515 0.1583061 0.1075390 -0.5848335 0.1641673 0.1159062 0.1586521 -1.3176203 30 F -0.9009827 0.3375206 -0.2161607 0.1551113 -0.7649065 0.4073302 -0.2555051 0.3976221 -0.7988156 31 F -0.4658442 0.0040087 -0.5732818 -0.2105305 -0.7332113 0.9838196 -0.1149485 0.2928402 -0.6844573 32 F -0.5401032 0.0203515 0.1583061 -0.1075390 -0.5848335 -0.1641673 0.1159062 -0.1586521 -1.3176203 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (xz) 0.00000005 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:33:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:33:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.986985800428049 0.000000000000000 0.000000000000000 b 0.000000000000000 5.134075649999999 0.000000000000000 c -3.325815394021561 0.000000000000000 9.211369442966918 Atomic positions (fractional): 1 Li 0.86907845522922 0.52707072118461 0.12321396383990 6.941 2 Li 0.86907845522922 0.97292927881539 0.62321396383990 6.941 3 Li 0.65695671864372 0.99058689064253 0.32589482494266 6.941 4 Li 0.34304328135628 0.49058689064253 0.17410517505734 6.941 5 Li 0.65695671864372 0.50941310935747 0.82589482494266 6.941 6 Li 0.34304328135628 0.00941310935747 0.67410517505734 6.941 7 Li 0.13092154477078 0.02707072118461 0.37678603616010 6.941 8 Li 0.13092154477078 0.47292927881538 0.87678603616010 6.941 9 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 10 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 11 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 12 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 13 F 0.95303855376679 0.34229596348535 0.30845652470971 18.998 14 F 0.88535450869085 0.82351404165434 0.42222318087714 18.998 15 F 0.68123279585474 0.79006011867767 0.13589933011852 18.998 16 F 0.95303855376679 0.15770403651465 0.80845652470971 18.998 17 F 0.73195282051980 0.20718841426340 0.48602291271694 18.998 18 F 0.88535450869085 0.67648595834566 0.92222318087713 18.998 19 F 0.50059633261126 0.20252222684359 0.16919963860057 18.998 20 F 0.68123279585474 0.70993988132233 0.63589933011852 18.998 21 F 0.49940366738874 0.70252222684359 0.33080036139943 18.998 22 F 0.73195282051980 0.29281158573660 0.98602291271694 18.998 23 F 0.26804717948020 0.70718841426340 0.01397708728306 18.998 24 F 0.50059633261126 0.29747777315641 0.66919963860057 18.998 25 F 0.31876720414526 0.29006011867767 0.36410066988148 18.998 26 F 0.49940366738874 0.79747777315641 0.83080036139943 18.998 27 F 0.11464549130915 0.32351404165434 0.07777681912287 18.998 28 F 0.26804717948020 0.79281158573660 0.51397708728306 18.998 29 F 0.04696144623321 0.84229596348535 0.19154347529029 18.998 30 F 0.31876720414526 0.20993988132233 0.86410066988148 18.998 31 F 0.11464549130915 0.17648595834566 0.57777681912287 18.998 32 F 0.04696144623321 0.65770403651465 0.69154347529029 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.973971600856098 0.000000000000000 0.000000000000000 b 0.000000000000000 10.268151299999998 0.000000000000000 c -3.325815394021561 0.000000000000000 9.211369442966918 Atomic positions (fractional): 1 Li 0.43453922761461 0.26353536059231 0.12321396383990 6.941 > 1 2 Li 0.93453922761461 0.26353536059231 0.12321396383990 6.941 > 1 3 Li 0.43453922761461 0.76353536059231 0.12321396383990 6.941 > 1 4 Li 0.93453922761461 0.76353536059231 0.12321396383990 6.941 > 1 5 Li 0.43453922761461 0.48646463940769 0.62321396383990 6.941 > 5 6 Li 0.93453922761461 0.48646463940769 0.62321396383990 6.941 > 5 7 Li 0.43453922761461 0.98646463940769 0.62321396383990 6.941 > 5 8 Li 0.93453922761461 0.98646463940769 0.62321396383990 6.941 > 5 9 Li 0.32847835932186 0.49529344532127 0.32589482494266 6.941 > 9 10 Li 0.82847835932186 0.49529344532127 0.32589482494266 6.941 > 9 11 Li 0.32847835932186 0.99529344532127 0.32589482494266 6.941 > 9 12 Li 0.82847835932186 0.99529344532127 0.32589482494266 6.941 > 9 13 Li 0.17152164067814 0.24529344532127 0.17410517505734 6.941 > 13 14 Li 0.67152164067814 0.24529344532127 0.17410517505734 6.941 > 13 15 Li 0.17152164067814 0.74529344532127 0.17410517505734 6.941 > 13 16 Li 0.67152164067814 0.74529344532127 0.17410517505734 6.941 > 13 17 Li 0.32847835932186 0.25470655467873 0.82589482494266 6.941 > 17 18 Li 0.82847835932186 0.25470655467873 0.82589482494266 6.941 > 17 19 Li 0.32847835932186 0.75470655467873 0.82589482494266 6.941 > 17 20 Li 0.82847835932186 0.75470655467873 0.82589482494266 6.941 > 17 21 Li 0.17152164067814 0.00470655467873 0.67410517505734 6.941 > 21 22 Li 0.67152164067814 0.00470655467873 0.67410517505734 6.941 > 21 23 Li 0.17152164067814 0.50470655467873 0.67410517505734 6.941 > 21 24 Li 0.67152164067814 0.50470655467873 0.67410517505734 6.941 > 21 25 Li 0.06546077238539 0.01353536059231 0.37678603616010 6.941 > 25 26 Li 0.56546077238539 0.01353536059231 0.37678603616010 6.941 > 25 27 Li 0.06546077238539 0.51353536059231 0.37678603616010 6.941 > 25 28 Li 0.56546077238539 0.51353536059231 0.37678603616010 6.941 > 25 29 Li 0.06546077238539 0.23646463940769 0.87678603616010 6.941 > 29 30 Li 0.56546077238539 0.23646463940769 0.87678603616010 6.941 > 29 31 Li 0.06546077238539 0.73646463940769 0.87678603616010 6.941 > 29 32 Li 0.56546077238539 0.73646463940769 0.87678603616010 6.941 > 29 33 Ag 0.00000000000000 0.25000000000000 0.50000000000000 107.868 > 33 34 Ag 0.50000000000000 0.25000000000000 0.50000000000000 107.868 > 33 35 Ag 0.00000000000000 0.75000000000000 0.50000000000000 107.868 > 33 36 Ag 0.50000000000000 0.75000000000000 0.50000000000000 107.868 > 33 37 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 37 38 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 37 39 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 37 40 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 37 41 Ag 0.25000000000000 0.25000000000000 0.50000000000000 107.868 > 41 42 Ag 0.75000000000000 0.25000000000000 0.50000000000000 107.868 > 41 43 Ag 0.25000000000000 0.75000000000000 0.50000000000000 107.868 > 41 44 Ag 0.75000000000000 0.75000000000000 0.50000000000000 107.868 > 41 45 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 45 46 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 45 47 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 45 48 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 45 49 F 0.47651927688340 0.17114798174268 0.30845652470971 18.998 > 49 50 F 0.97651927688340 0.17114798174268 0.30845652470971 18.998 > 49 51 F 0.47651927688340 0.67114798174268 0.30845652470971 18.998 > 49 52 F 0.97651927688340 0.67114798174268 0.30845652470971 18.998 > 49 53 F 0.44267725434543 0.41175702082717 0.42222318087714 18.998 > 53 54 F 0.94267725434543 0.41175702082717 0.42222318087714 18.998 > 53 55 F 0.44267725434543 0.91175702082717 0.42222318087714 18.998 > 53 56 F 0.94267725434543 0.91175702082717 0.42222318087714 18.998 > 53 57 F 0.34061639792737 0.39503005933883 0.13589933011852 18.998 > 57 58 F 0.84061639792737 0.39503005933883 0.13589933011852 18.998 > 57 59 F 0.34061639792737 0.89503005933883 0.13589933011852 18.998 > 57 60 F 0.84061639792737 0.89503005933883 0.13589933011852 18.998 > 57 61 F 0.47651927688340 0.07885201825732 0.80845652470971 18.998 > 61 62 F 0.97651927688340 0.07885201825732 0.80845652470971 18.998 > 61 63 F 0.47651927688340 0.57885201825732 0.80845652470971 18.998 > 61 64 F 0.97651927688340 0.57885201825732 0.80845652470971 18.998 > 61 65 F 0.36597641025990 0.10359420713170 0.48602291271694 18.998 > 65 66 F 0.86597641025990 0.10359420713170 0.48602291271694 18.998 > 65 67 F 0.36597641025990 0.60359420713170 0.48602291271694 18.998 > 65 68 F 0.86597641025990 0.60359420713170 0.48602291271694 18.998 > 65 69 F 0.44267725434543 0.33824297917283 0.92222318087713 18.998 > 69 70 F 0.94267725434543 0.33824297917283 0.92222318087713 18.998 > 69 71 F 0.44267725434543 0.83824297917283 0.92222318087713 18.998 > 69 72 F 0.94267725434543 0.83824297917283 0.92222318087713 18.998 > 69 73 F 0.25029816630563 0.10126111342180 0.16919963860057 18.998 > 73 74 F 0.75029816630563 0.10126111342180 0.16919963860057 18.998 > 73 75 F 0.25029816630563 0.60126111342180 0.16919963860057 18.998 > 73 76 F 0.75029816630563 0.60126111342180 0.16919963860057 18.998 > 73 77 F 0.34061639792737 0.35496994066117 0.63589933011852 18.998 > 77 78 F 0.84061639792737 0.35496994066117 0.63589933011852 18.998 > 77 79 F 0.34061639792737 0.85496994066117 0.63589933011852 18.998 > 77 80 F 0.84061639792737 0.85496994066117 0.63589933011852 18.998 > 77 81 F 0.24970183369437 0.35126111342180 0.33080036139943 18.998 > 81 82 F 0.74970183369437 0.35126111342180 0.33080036139943 18.998 > 81 83 F 0.24970183369437 0.85126111342180 0.33080036139943 18.998 > 81 84 F 0.74970183369437 0.85126111342180 0.33080036139943 18.998 > 81 85 F 0.36597641025990 0.14640579286830 0.98602291271694 18.998 > 85 86 F 0.86597641025990 0.14640579286830 0.98602291271694 18.998 > 85 87 F 0.36597641025990 0.64640579286830 0.98602291271694 18.998 > 85 88 F 0.86597641025990 0.64640579286830 0.98602291271694 18.998 > 85 89 F 0.13402358974010 0.35359420713170 0.01397708728306 18.998 > 89 90 F 0.63402358974010 0.35359420713170 0.01397708728306 18.998 > 89 91 F 0.13402358974010 0.85359420713170 0.01397708728306 18.998 > 89 92 F 0.63402358974010 0.85359420713170 0.01397708728306 18.998 > 89 93 F 0.25029816630563 0.14873888657820 0.66919963860057 18.998 > 93 94 F 0.75029816630563 0.14873888657820 0.66919963860057 18.998 > 93 95 F 0.25029816630563 0.64873888657820 0.66919963860057 18.998 > 93 96 F 0.75029816630563 0.64873888657820 0.66919963860057 18.998 > 93 97 F 0.15938360207263 0.14503005933883 0.36410066988148 18.998 > 97 98 F 0.65938360207263 0.14503005933883 0.36410066988148 18.998 > 97 99 F 0.15938360207263 0.64503005933883 0.36410066988148 18.998 > 97 100 F 0.65938360207263 0.64503005933883 0.36410066988148 18.998 > 97 101 F 0.24970183369437 0.39873888657820 0.83080036139943 18.998 > 101 102 F 0.74970183369437 0.39873888657820 0.83080036139943 18.998 > 101 103 F 0.24970183369437 0.89873888657820 0.83080036139943 18.998 > 101 104 F 0.74970183369437 0.89873888657820 0.83080036139943 18.998 > 101 105 F 0.05732274565457 0.16175702082717 0.07777681912287 18.998 > 105 106 F 0.55732274565457 0.16175702082717 0.07777681912287 18.998 > 105 107 F 0.05732274565457 0.66175702082717 0.07777681912287 18.998 > 105 108 F 0.55732274565457 0.66175702082717 0.07777681912287 18.998 > 105 109 F 0.13402358974010 0.39640579286830 0.51397708728306 18.998 > 109 110 F 0.63402358974010 0.39640579286830 0.51397708728306 18.998 > 109 111 F 0.13402358974010 0.89640579286830 0.51397708728306 18.998 > 109 112 F 0.63402358974010 0.89640579286830 0.51397708728306 18.998 > 109 113 F 0.02348072311660 0.42114798174268 0.19154347529029 18.998 > 113 114 F 0.52348072311660 0.42114798174268 0.19154347529029 18.998 > 113 115 F 0.02348072311660 0.92114798174268 0.19154347529029 18.998 > 113 116 F 0.52348072311660 0.92114798174268 0.19154347529029 18.998 > 113 117 F 0.15938360207263 0.10496994066117 0.86410066988148 18.998 > 117 118 F 0.65938360207263 0.10496994066117 0.86410066988148 18.998 > 117 119 F 0.15938360207263 0.60496994066117 0.86410066988148 18.998 > 117 120 F 0.65938360207263 0.60496994066117 0.86410066988148 18.998 > 117 121 F 0.05732274565457 0.08824297917283 0.57777681912287 18.998 > 121 122 F 0.55732274565457 0.08824297917283 0.57777681912287 18.998 > 121 123 F 0.05732274565457 0.58824297917283 0.57777681912287 18.998 > 121 124 F 0.55732274565457 0.58824297917283 0.57777681912287 18.998 > 121 125 F 0.02348072311660 0.32885201825732 0.69154347529029 18.998 > 125 126 F 0.52348072311660 0.32885201825732 0.69154347529029 18.998 > 125 127 F 0.02348072311660 0.82885201825732 0.69154347529029 18.998 > 125 128 F 0.52348072311660 0.82885201825732 0.69154347529029 18.998 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8897804 0.0000000 0.0772131 0.0000000 7.2459822 0.0000000 0.0772176 0.0000000 3.3509858 -------------------------- Born effective charges -------------------------- 1 Li 1.0026858 -0.1180256 -0.1915661 -0.2166984 1.0748714 -0.1827648 0.0098451 -0.2747322 1.1327007 2 Li 1.0026858 0.1180256 -0.1915661 0.2166984 1.0748714 0.1827648 0.0098451 0.2747322 1.1327007 3 Li 1.1088130 0.1654766 0.2786795 -0.0792235 0.9830412 -0.3286652 0.0212356 -0.1329492 1.2945340 4 Li 1.1088130 -0.1654766 0.2786795 0.0792235 0.9830412 0.3286652 0.0212356 0.1329492 1.2945340 5 Li 1.1088130 -0.1654766 0.2786795 0.0792235 0.9830412 0.3286652 0.0212356 0.1329492 1.2945340 6 Li 1.1088130 0.1654766 0.2786795 -0.0792235 0.9830412 -0.3286652 0.0212356 -0.1329492 1.2945340 7 Li 1.0026858 0.1180256 -0.1915661 0.2166984 1.0748714 0.1827648 0.0098451 0.2747322 1.1327007 8 Li 1.0026858 -0.1180256 -0.1915661 -0.2166984 1.0748714 -0.1827648 0.0098451 -0.2747322 1.1327007 9 Ag 1.3807764 -0.3265870 0.3142458 0.5869465 2.5592005 -0.6763298 0.0134941 -0.0898803 2.2767417 10 Ag 1.3807764 0.3265870 0.3142458 -0.5869465 2.5592005 0.6763298 0.0134941 0.0898803 2.2767417 11 Ag 2.1487966 0.1215950 -0.0133872 -0.1736195 2.1337835 0.3063093 0.1339051 0.0152121 2.4044429 12 Ag 2.1487966 -0.1215950 -0.0133872 0.1736195 2.1337835 -0.3063093 0.1339051 -0.0152121 2.4044429 13 F -0.5401032 0.0203515 0.1583061 -0.1075390 -0.5848335 -0.1641673 0.1159062 -0.1586521 -1.3176203 14 F -0.4658442 0.0040087 -0.5732818 -0.2105305 -0.7332113 0.9838196 -0.1149485 0.2928402 -0.6844573 15 F -0.9009827 0.3375206 -0.2161607 0.1551113 -0.7649065 0.4073302 -0.2555051 0.3976221 -0.7988156 16 F -0.5401032 -0.0203515 0.1583061 0.1075390 -0.5848335 0.1641673 0.1159062 0.1586521 -1.3176203 17 F -1.2948939 0.3304659 0.2067522 0.2355874 -1.5514993 -0.3782400 -0.0980817 -0.0024106 -0.9008571 18 F -0.4658442 -0.0040087 -0.5732818 0.2105305 -0.7332113 -0.9838196 -0.1149485 -0.2928402 -0.6844573 19 F -0.6744611 0.1475545 0.1868415 -0.0110339 -0.7699541 -0.2018553 0.2478488 -0.3858658 -1.0660768 20 F -0.9009827 -0.3375206 -0.2161607 -0.1551113 -0.7649065 -0.4073302 -0.2555051 -0.3976221 -0.7988156 21 F -0.6744611 -0.1475545 0.1868415 0.0110339 -0.7699541 0.2018553 0.2478488 0.3858658 -1.0660768 22 F -1.2948939 -0.3304659 0.2067522 -0.2355874 -1.5514993 0.3782400 -0.0980817 0.0024106 -0.9008571 23 F -1.2948939 -0.3304659 0.2067522 -0.2355874 -1.5514993 0.3782400 -0.0980817 0.0024106 -0.9008571 24 F -0.6744611 -0.1475545 0.1868415 0.0110339 -0.7699541 0.2018553 0.2478488 0.3858658 -1.0660768 25 F -0.9009827 -0.3375206 -0.2161607 -0.1551113 -0.7649065 -0.4073302 -0.2555051 -0.3976221 -0.7988156 26 F -0.6744611 0.1475545 0.1868415 -0.0110339 -0.7699541 -0.2018553 0.2478488 -0.3858658 -1.0660768 27 F -0.4658442 -0.0040087 -0.5732818 0.2105305 -0.7332113 -0.9838196 -0.1149485 -0.2928402 -0.6844573 28 F -1.2948939 0.3304659 0.2067522 0.2355874 -1.5514993 -0.3782400 -0.0980817 -0.0024106 -0.9008571 29 F -0.5401032 -0.0203515 0.1583061 0.1075390 -0.5848335 0.1641673 0.1159062 0.1586521 -1.3176203 30 F -0.9009827 0.3375206 -0.2161607 0.1551113 -0.7649065 0.4073302 -0.2555051 0.3976221 -0.7988156 31 F -0.4658442 0.0040087 -0.5732818 -0.2105305 -0.7332113 0.9838196 -0.1149485 0.2928402 -0.6844573 32 F -0.5401032 0.0203515 0.1583061 -0.1075390 -0.5848335 -0.1641673 0.1159062 -0.1586521 -1.3176203 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) 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 ... [ 7 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.419 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.354 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 5.511 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.526 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 6.601 ( 0.000 0.000 0.000) 0.000 6.651 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 6.862 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 7.408 ( 0.000 0.000 0.000) 0.000 7.724 ( 0.000 0.000 0.000) 0.000 7.789 ( 0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 0.000) 0.000 7.952 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 8.146 ( 0.000 0.000 0.000) 0.000 8.503 ( 0.000 0.000 0.000) 0.000 8.627 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 9.323 ( 0.000 0.000 0.000) 0.000 9.664 ( 0.000 0.000 0.000) 0.000 9.908 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 0.000) 0.000 10.337 ( 0.000 0.000 0.000) 0.000 10.589 ( 0.000 0.000 0.000) 0.000 10.789 ( 0.000 0.000 0.000) 0.000 11.017 ( 0.000 0.000 0.000) 0.000 11.188 ( 0.000 0.000 0.000) 0.000 11.422 ( 0.000 0.000 0.000) 0.000 11.804 ( 0.000 0.000 0.000) 0.000 11.953 ( 0.000 0.000 0.000) 0.000 12.056 ( 0.000 0.000 0.000) 0.000 12.104 ( 0.000 0.000 0.000) 0.000 12.361 ( 0.000 0.000 0.000) 0.000 12.504 ( 0.000 0.000 0.000) 0.000 12.881 ( 0.000 0.000 0.000) 0.000 13.172 ( 0.000 0.000 0.000) 0.000 13.301 ( 0.000 0.000 0.000) 0.000 13.584 ( 0.000 0.000 0.000) 0.000 14.245 ( 0.000 0.000 0.000) 0.000 14.419 ( 0.000 0.000 0.000) 0.000 14.442 ( 0.000 0.000 0.000) 0.000 14.582 ( 0.000 0.000 0.000) 0.000 14.917 ( 0.000 0.000 0.000) 0.000 15.077 ( 0.000 0.000 0.000) 0.000 15.501 ( 0.000 0.000 0.000) 0.000 16.188 ( 0.000 0.000 0.000) 0.000 16.408 ( 0.000 0.000 0.000) 0.000 16.484 ( 0.000 0.000 0.000) 0.000 16.579 ( 0.000 0.000 0.000) 0.000 16.828 ( 0.000 0.000 0.000) 0.000 17.325 ( 0.000 0.000 0.000) 0.000 17.628 ( 0.000 0.000 0.000) 0.000 18.231 ( 0.000 0.000 0.000) 0.000 18.373 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 17.084 0.000 8.333) 19.008 0.423 ( 22.365 0.000 3.055) 22.573 0.673 ( 24.904 0.000 31.354) 40.042 1.493 ( 8.987 0.000 -3.920) 9.805 1.682 ( 4.805 0.000 -0.759) 4.865 1.759 ( 5.197 0.000 2.401) 5.725 2.058 ( -4.651 0.000 -2.512) 5.286 2.248 ( -3.088 0.000 -2.713) 4.111 2.287 ( -2.548 0.000 4.624) 5.280 2.365 ( 3.719 0.000 1.288) 3.936 2.379 ( 1.634 0.000 -6.278) 6.487 2.596 ( 4.007 0.000 -1.542) 4.294 2.629 ( -6.545 0.000 -0.011) 6.545 2.729 ( -5.465 0.000 1.571) 5.687 2.935 ( 0.929 0.000 5.372) 5.452 3.036 ( -2.584 0.000 -2.329) 3.479 3.447 ( -5.478 0.000 -5.188) 7.545 3.448 ( -5.649 0.000 -0.009) 5.649 3.834 ( -1.037 0.000 -0.894) 1.370 3.909 ( -1.735 0.000 1.728) 2.449 3.981 ( -12.794 0.000 3.048) 13.152 4.250 ( -3.821 0.000 -1.973) 4.301 4.460 ( 6.378 0.000 2.382) 6.809 4.484 ( 16.022 0.000 -8.649) 18.207 4.681 ( 5.726 0.000 1.449) 5.906 4.820 ( -2.727 0.000 3.516) 4.450 4.931 ( -7.201 0.000 0.591) 7.225 4.979 ( -2.044 0.000 -1.939) 2.818 5.019 ( -1.819 0.000 0.760) 1.971 5.047 ( 3.332 0.000 -1.824) 3.799 5.159 ( 3.727 0.000 -0.251) 3.736 5.215 ( -2.257 0.000 0.620) 2.340 5.413 ( -8.097 0.000 -1.350) 8.209 5.454 ( -6.022 0.000 2.225) 6.420 5.593 ( -1.234 0.000 -1.221) 1.736 5.802 ( 6.872 0.000 2.573) 7.338 5.948 ( -4.875 0.000 2.320) 5.399 6.139 ( 5.974 0.000 -1.381) 6.132 6.146 ( 2.225 0.000 4.159) 4.716 6.459 ( -3.244 0.000 -2.584) 4.147 6.525 ( -2.198 0.000 -1.393) 2.602 6.545 ( 3.254 0.000 -12.485) 12.902 6.591 ( 4.225 0.000 -12.233) 12.942 6.672 ( 2.386 0.000 -3.746) 4.441 6.802 ( 2.033 0.000 5.344) 5.718 6.961 ( 8.613 0.000 1.623) 8.765 7.204 ( 2.694 0.000 -1.628) 3.148 7.318 ( -2.970 0.000 -4.789) 5.635 7.348 ( 5.772 0.000 0.442) 5.789 7.413 ( 0.435 0.000 2.884) 2.916 7.501 ( 1.587 0.000 2.549) 3.002 7.717 ( -0.470 0.000 -0.165) 0.498 7.837 ( 4.270 0.000 0.311) 4.281 7.889 ( -0.609 0.000 6.241) 6.271 7.949 ( 2.566 0.000 -3.374) 4.239 7.986 ( 0.154 0.000 0.179) 0.236 8.381 ( -7.919 0.000 -4.385) 9.052 8.547 ( 3.976 0.000 -6.380) 7.517 8.706 ( 4.381 0.000 0.962) 4.485 9.134 ( 20.698 0.000 -59.847) 63.325 9.333 ( 1.595 0.000 -0.272) 1.618 9.634 ( -3.946 0.000 1.730) 4.308 9.900 ( 2.066 0.000 -11.711) 11.891 9.931 ( -2.513 0.000 2.860) 3.807 10.367 ( 1.851 0.000 3.085) 3.598 10.569 ( -1.371 0.000 -2.248) 2.633 10.952 ( -4.270 0.000 7.430) 8.570 11.000 ( -1.947 0.000 1.282) 2.331 11.206 ( -1.569 0.000 9.057) 9.192 11.383 ( -1.448 0.000 -6.782) 6.935 11.827 ( 0.511 0.000 3.523) 3.560 11.910 ( -1.363 0.000 -7.293) 7.419 12.092 ( 0.812 0.000 5.636) 5.694 12.122 ( 1.694 0.000 1.660) 2.372 12.365 ( 1.005 0.000 -1.461) 1.774 12.493 ( -0.472 0.000 -1.724) 1.787 13.171 ( -0.188 0.000 -0.300) 0.354 13.180 ( -8.862 0.000 19.407) 21.334 13.299 ( -0.831 0.000 1.884) 2.059 13.594 ( 1.052 0.000 -0.288) 1.091 14.278 ( 3.087 0.000 1.778) 3.563 14.447 ( 2.609 0.000 1.969) 3.268 14.568 ( -1.051 0.000 -0.957) 1.421 14.829 ( -14.265 0.000 39.736) 42.219 14.909 ( -0.852 0.000 0.200) 0.875 15.066 ( -0.888 0.000 -0.686) 1.122 15.431 ( -7.100 0.000 -0.729) 7.137 16.201 ( -2.531 0.000 7.817) 8.216 16.283 ( -16.629 0.000 -9.488) 19.145 16.422 ( 1.290 0.000 -3.909) 4.116 16.629 ( 1.322 0.000 6.766) 6.894 16.836 ( 0.887 0.000 -0.129) 0.896 17.649 ( 1.073 0.000 3.000) 3.187 17.699 ( -5.940 0.000 24.204) 24.922 18.241 ( -0.784 0.000 1.779) 1.944 18.336 ( -3.123 0.000 -2.236) 3.841 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 16.330 0.000 5.138) 17.119 0.835 ( 21.400 0.000 2.985) 21.607 1.257 ( 16.892 0.000 28.775) 33.367 1.664 ( 11.523 0.000 -1.443) 11.613 1.748 ( -1.510 0.000 0.661) 1.648 1.894 ( 7.374 0.000 1.759) 7.581 1.942 ( -1.088 0.000 -7.413) 7.492 2.141 ( -0.259 0.000 -14.256) 14.258 2.294 ( -1.965 0.000 4.126) 4.571 2.310 ( -2.860 0.000 -3.240) 4.321 2.444 ( -8.583 0.000 4.133) 9.526 2.516 ( 2.502 0.000 5.212) 5.781 2.624 ( -1.679 0.000 2.999) 3.437 2.755 ( 6.846 0.000 -1.337) 6.976 2.953 ( -4.395 0.000 -3.401) 5.557 2.958 ( -1.088 0.000 3.669) 3.826 3.271 ( -8.359 0.000 -8.281) 11.767 3.318 ( -8.490 0.000 1.219) 8.578 3.782 ( -10.306 0.000 1.386) 10.399 3.814 ( 0.363 0.000 -2.184) 2.214 3.882 ( -2.452 0.000 1.399) 2.823 4.163 ( -4.986 0.000 -1.299) 5.152 4.579 ( 4.475 0.000 1.939) 4.877 4.657 ( 6.549 0.000 -7.114) 9.669 4.820 ( -3.655 0.000 0.803) 3.742 4.832 ( 8.367 0.000 2.265) 8.668 4.837 ( 1.209 0.000 4.134) 4.308 4.936 ( -0.569 0.000 -2.715) 2.774 4.964 ( -3.790 0.000 1.785) 4.189 5.072 ( 1.854 0.000 -4.216) 4.606 5.170 ( -3.741 0.000 1.766) 4.136 5.202 ( 2.832 0.000 -1.168) 3.063 5.289 ( -3.380 0.000 -1.352) 3.640 5.409 ( -1.352 0.000 5.231) 5.403 5.513 ( -5.944 0.000 -2.637) 6.503 5.826 ( -10.297 0.000 1.951) 10.480 5.978 ( 9.026 0.000 3.544) 9.697 6.228 ( 3.303 0.000 5.025) 6.013 6.229 ( 5.457 0.000 -3.862) 6.686 6.386 ( -3.298 0.000 -0.162) 3.302 6.461 ( -3.390 0.000 -2.309) 4.102 6.511 ( -1.457 0.000 -1.417) 2.032 6.612 ( 5.701 0.000 -10.221) 11.703 6.677 ( 1.091 0.000 -2.892) 3.091 6.891 ( 3.287 0.000 4.495) 5.568 7.132 ( 8.106 0.000 1.164) 8.189 7.242 ( 2.359 0.000 -1.064) 2.588 7.251 ( -1.498 0.000 -1.790) 2.334 7.446 ( 1.337 0.000 1.118) 1.743 7.491 ( 8.705 0.000 0.615) 8.727 7.548 ( 1.865 0.000 1.860) 2.634 7.705 ( -0.820 0.000 -0.005) 0.820 7.872 ( -2.694 0.000 2.909) 3.965 7.886 ( 1.963 0.000 -5.681) 6.010 8.011 ( 2.292 0.000 3.371) 4.077 8.015 ( -0.368 0.000 6.039) 6.050 8.230 ( -3.647 0.000 -3.827) 5.286 8.572 ( 0.854 0.000 -0.940) 1.270 8.748 ( 0.419 0.000 -1.867) 1.913 9.136 ( 12.506 0.000 -29.541) 32.079 9.396 ( 5.705 0.000 0.435) 5.722 9.550 ( -7.256 0.000 3.623) 8.111 9.859 ( -0.089 0.000 -5.590) 5.590 9.879 ( -5.865 0.000 3.228) 6.695 10.425 ( 1.907 0.000 3.327) 3.834 10.518 ( -1.967 0.000 -3.030) 3.612 10.920 ( -1.588 0.000 -0.348) 1.626 10.987 ( -0.844 0.000 3.765) 3.859 11.239 ( -1.990 0.000 10.524) 10.711 11.297 ( -2.347 0.000 -8.598) 8.912 11.838 ( -0.769 0.000 -8.065) 8.102 11.845 ( -0.424 0.000 1.413) 1.476 12.139 ( 0.782 0.000 3.973) 4.049 12.192 ( 3.435 0.000 4.962) 6.035 12.377 ( 1.464 0.000 -1.928) 2.421 12.469 ( -0.367 0.000 -3.296) 3.316 13.142 ( -5.061 0.000 8.124) 9.571 13.156 ( -1.087 0.000 -0.671) 1.277 13.299 ( -0.729 0.000 2.571) 2.672 13.612 ( 1.070 0.000 -0.466) 1.167 14.376 ( 5.907 0.000 3.154) 6.696 14.530 ( 0.808 0.000 0.352) 0.881 14.561 ( 5.138 0.000 2.908) 5.903 14.822 ( -6.112 0.000 13.434) 14.759 14.894 ( -0.779 0.000 0.294) 0.832 15.040 ( -1.171 0.000 -1.369) 1.802 15.268 ( -9.811 0.000 0.232) 9.814 15.821 ( -25.964 0.000 -10.404) 27.971 16.208 ( -1.093 0.000 4.026) 4.171 16.419 ( 0.630 0.000 -2.241) 2.328 16.703 ( 2.442 0.000 4.922) 5.495 16.852 ( 0.852 0.000 -0.578) 1.030 17.699 ( 1.406 0.000 4.926) 5.123 17.758 ( -0.621 0.000 10.820) 10.837 18.237 ( -0.184 0.000 -0.223) 0.289 18.244 ( -4.332 0.000 -4.265) 6.079 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 9.092 0.000 1.254) 9.178 1.220 ( 19.377 0.000 2.617) 19.553 1.538 ( -0.874 0.000 12.179) 12.210 1.556 ( -15.833 0.000 -1.485) 15.903 1.877 ( 8.736 0.000 8.541) 12.218 1.985 ( 5.750 0.000 -4.635) 7.385 2.050 ( 12.216 0.000 -4.735) 13.102 2.099 ( 3.187 0.000 -14.046) 14.403 2.201 ( -4.156 0.000 -0.259) 4.164 2.240 ( -13.144 0.000 4.608) 13.928 2.333 ( 0.277 0.000 3.336) 3.348 2.620 ( -0.368 0.000 1.170) 1.226 2.629 ( 1.857 0.000 6.156) 6.430 2.836 ( 1.835 0.000 -0.227) 1.849 2.850 ( -4.123 0.000 -1.680) 4.452 2.966 ( 1.000 0.000 -0.974) 1.396 3.097 ( -3.831 0.000 -6.255) 7.335 3.205 ( -4.225 0.000 2.253) 4.788 3.654 ( -3.990 0.000 0.248) 3.998 3.827 ( 1.970 0.000 -1.357) 2.392 3.847 ( -1.649 0.000 0.528) 1.731 4.063 ( -4.319 0.000 -0.502) 4.348 4.625 ( 0.260 0.000 0.384) 0.464 4.668 ( -0.273 0.000 -0.539) 0.604 4.776 ( -1.115 0.000 0.541) 1.240 4.860 ( -0.612 0.000 -1.798) 1.899 4.878 ( -1.393 0.000 1.371) 1.954 4.944 ( 2.781 0.000 -0.806) 2.896 5.000 ( 0.775 0.000 -0.545) 0.947 5.127 ( 4.369 0.000 -0.963) 4.474 5.165 ( 4.631 0.000 4.155) 6.221 5.258 ( 3.560 0.000 -1.027) 3.705 5.261 ( -0.449 0.000 0.525) 0.691 5.358 ( -8.286 0.000 -4.421) 9.392 5.454 ( 3.128 0.000 4.128) 5.179 5.627 ( -10.976 0.000 -0.551) 10.990 6.127 ( 4.429 0.000 2.340) 5.009 6.277 ( 2.495 0.000 -3.309) 4.144 6.307 ( 2.235 0.000 2.604) 3.432 6.346 ( -1.674 0.000 1.735) 2.411 6.386 ( -2.766 0.000 -2.525) 3.745 6.487 ( -0.533 0.000 -0.376) 0.652 6.643 ( 2.211 0.000 -3.255) 3.935 6.685 ( 0.681 0.000 -0.174) 0.703 6.953 ( 1.333 0.000 1.157) 1.764 7.210 ( 0.647 0.000 -0.313) 0.719 7.262 ( 2.118 0.000 0.606) 2.202 7.268 ( 0.967 0.000 -0.295) 1.011 7.464 ( 0.059 0.000 0.734) 0.736 7.586 ( 1.505 0.000 -0.356) 1.546 7.626 ( 4.368 0.000 1.175) 4.523 7.694 ( 0.144 0.000 -0.343) 0.372 7.857 ( -0.663 0.000 1.609) 1.740 7.864 ( 0.684 0.000 -5.383) 5.426 7.969 ( -5.393 0.000 3.329) 6.338 8.053 ( 0.559 0.000 1.645) 1.737 8.253 ( 3.530 0.000 0.730) 3.605 8.562 ( -0.845 0.000 -0.162) 0.860 8.715 ( -1.520 0.000 -1.957) 2.478 9.200 ( 8.472 0.000 -12.179) 14.836 9.439 ( -6.715 0.000 4.213) 7.927 9.528 ( 7.301 0.000 0.443) 7.314 9.767 ( -7.094 0.000 1.201) 7.195 9.832 ( -0.154 0.000 -1.780) 1.787 10.466 ( 0.770 0.000 1.362) 1.564 10.475 ( -0.894 0.000 -1.289) 1.569 10.897 ( -0.487 0.000 -0.646) 0.809 11.021 ( 1.003 0.000 4.149) 4.269 11.202 ( -2.085 0.000 -5.838) 6.199 11.263 ( -0.947 0.000 4.683) 4.778 11.790 ( -0.204 0.000 -3.588) 3.594 11.839 ( -0.366 0.000 0.049) 0.369 12.167 ( 0.329 0.000 1.382) 1.420 12.283 ( 2.308 0.000 4.246) 4.833 12.389 ( 0.740 0.000 -0.902) 1.167 12.438 ( -0.506 0.000 -3.140) 3.181 13.113 ( -1.831 0.000 2.544) 3.135 13.132 ( -0.792 0.000 -0.376) 0.877 13.304 ( -0.198 0.000 1.227) 1.243 13.623 ( 0.411 0.000 -0.236) 0.474 14.511 ( 5.631 0.000 2.802) 6.290 14.516 ( -0.468 0.000 -0.376) 0.600 14.750 ( 8.440 0.000 4.439) 9.536 14.770 ( -4.461 0.000 1.050) 4.583 14.913 ( 4.769 0.000 2.103) 5.213 15.014 ( -0.676 0.000 -0.676) 0.956 15.134 ( -4.529 0.000 1.269) 4.703 15.300 ( -22.313 0.000 -9.011) 24.064 16.213 ( -0.346 0.000 1.404) 1.446 16.417 ( 0.210 0.000 -0.831) 0.857 16.765 ( 1.423 0.000 2.226) 2.642 16.855 ( 0.115 0.000 -0.727) 0.736 17.750 ( 0.875 0.000 3.080) 3.202 17.802 ( 0.158 0.000 3.480) 3.484 18.154 ( -2.248 0.000 -2.859) 3.637 18.233 ( -0.040 0.000 -0.325) 0.327 ======================= Grid point 7 (5/108) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.180 ( 0.000 10.802 0.000) 10.802 0.434 ( 0.000 21.872 0.000) 21.872 0.675 ( 0.000 33.525 0.000) 33.525 1.465 ( 0.000 3.691 0.000) 3.691 1.680 ( 0.000 3.064 0.000) 3.064 1.802 ( 0.000 9.475 0.000) 9.475 2.077 ( 0.000 -1.668 0.000) 1.668 2.242 ( 0.000 -7.440 0.000) 7.440 2.273 ( 0.000 -0.225 0.000) 0.225 2.354 ( 0.000 -1.815 0.000) 1.815 2.361 ( 0.000 4.783 0.000) 4.783 2.580 ( 0.000 1.089 0.000) 1.089 2.706 ( 0.000 4.291 0.000) 4.291 2.829 ( 0.000 -5.362 0.000) 5.362 2.887 ( 0.000 4.156 0.000) 4.156 3.114 ( 0.000 4.051 0.000) 4.051 3.400 ( 0.000 -9.615 0.000) 9.615 3.464 ( 0.000 -4.406 0.000) 4.406 3.760 ( 0.000 -16.315 0.000) 16.315 3.798 ( 0.000 -4.646 0.000) 4.646 4.079 ( 0.000 1.429 0.000) 1.429 4.249 ( 0.000 -0.637 0.000) 0.637 4.427 ( 0.000 6.868 0.000) 6.868 4.523 ( 0.000 6.599 0.000) 6.599 4.637 ( 0.000 -0.012 0.000) 0.012 4.869 ( 0.000 2.320 0.000) 2.320 4.898 ( 0.000 -8.547 0.000) 8.547 4.959 ( 0.000 -1.811 0.000) 1.811 5.022 ( 0.000 -0.442 0.000) 0.442 5.065 ( 0.000 -0.837 0.000) 0.837 5.119 ( 0.000 3.185 0.000) 3.185 5.251 ( 0.000 0.615 0.000) 0.615 5.389 ( 0.000 -9.229 0.000) 9.229 5.403 ( 0.000 -8.930 0.000) 8.930 5.718 ( 0.000 0.300 0.000) 0.300 5.777 ( 0.000 0.790 0.000) 0.790 5.895 ( 0.000 0.638 0.000) 0.638 5.977 ( 0.000 0.747 0.000) 0.747 6.057 ( 0.000 -3.919 0.000) 3.919 6.127 ( 0.000 -0.212 0.000) 0.212 6.475 ( 0.000 -4.610 0.000) 4.610 6.594 ( 0.000 -0.764 0.000) 0.764 6.647 ( 0.000 -0.454 0.000) 0.454 6.653 ( 0.000 -0.414 0.000) 0.414 6.811 ( 0.000 1.870 0.000) 1.870 6.928 ( 0.000 5.697 0.000) 5.697 7.158 ( 0.000 -1.224 0.000) 1.224 7.319 ( 0.000 0.882 0.000) 0.882 7.334 ( 0.000 1.832 0.000) 1.832 7.410 ( 0.000 4.065 0.000) 4.065 7.456 ( 0.000 3.808 0.000) 3.808 7.717 ( 0.000 -1.810 0.000) 1.810 7.824 ( 0.000 2.425 0.000) 2.425 7.830 ( 0.000 -2.853 0.000) 2.853 8.036 ( 0.000 -0.308 0.000) 0.308 8.041 ( 0.000 -7.669 0.000) 7.669 8.117 ( 0.000 5.533 0.000) 5.533 8.543 ( 0.000 -1.481 0.000) 1.481 8.625 ( 0.000 -2.554 0.000) 2.554 8.772 ( 0.000 8.880 0.000) 8.880 9.281 ( 0.000 -5.156 0.000) 5.156 9.676 ( 0.000 1.229 0.000) 1.229 9.798 ( 0.000 -8.030 0.000) 8.030 9.997 ( 0.000 2.408 0.000) 2.408 10.376 ( 0.000 3.600 0.000) 3.600 10.790 ( 0.000 0.127 0.000) 0.127 10.811 ( 0.000 -1.362 0.000) 1.362 10.996 ( 0.000 -2.448 0.000) 2.448 11.185 ( 0.000 -0.410 0.000) 0.410 11.386 ( 0.000 -3.329 0.000) 3.329 11.981 ( 0.000 2.641 0.000) 2.641 12.086 ( 0.000 2.739 0.000) 2.739 12.124 ( 0.000 1.970 0.000) 1.970 12.369 ( 0.000 0.952 0.000) 0.952 12.517 ( 0.000 1.316 0.000) 1.316 12.594 ( 0.000 1.007 0.000) 1.007 12.899 ( 0.000 1.819 0.000) 1.819 13.223 ( 0.000 -4.610 0.000) 4.610 13.340 ( 0.000 3.710 0.000) 3.710 13.651 ( 0.000 5.322 0.000) 5.322 14.162 ( 0.000 -6.078 0.000) 6.078 14.316 ( 0.000 -8.361 0.000) 8.361 14.490 ( 0.000 2.202 0.000) 2.202 14.665 ( 0.000 2.704 0.000) 2.704 14.940 ( 0.000 4.331 0.000) 4.331 15.075 ( 0.000 -0.221 0.000) 0.221 15.483 ( 0.000 -1.081 0.000) 1.081 16.136 ( 0.000 -9.230 0.000) 9.230 16.320 ( 0.000 -5.925 0.000) 5.925 16.471 ( 0.000 0.721 0.000) 0.721 16.582 ( 0.000 -0.178 0.000) 0.178 16.931 ( 0.000 0.655 0.000) 0.655 17.361 ( 0.000 3.209 0.000) 3.209 17.751 ( 0.000 0.530 0.000) 0.530 18.264 ( 0.000 3.215 0.000) 3.215 18.373 ( 0.000 -3.409 0.000) 3.409 ======================= Grid point 8 (6/108) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 6.789 12.978 7.237) 16.337 0.559 ( 13.575 7.463 25.034) 29.439 0.962 ( 19.940 22.880 9.135) 31.695 1.537 ( 7.382 3.779 -2.731) 8.731 1.696 ( 4.461 1.843 -2.334) 5.361 1.866 ( 5.344 9.108 1.391) 10.651 2.032 ( -4.506 -0.688 -0.226) 4.564 2.223 ( -1.505 -6.217 -5.036) 8.141 2.257 ( -1.843 -0.064 1.381) 2.304 2.327 ( -1.951 -2.156 -2.039) 3.551 2.411 ( 4.174 4.115 2.350) 6.315 2.600 ( 1.935 0.236 -1.921) 2.737 2.681 ( -1.776 4.052 -0.519) 4.455 2.755 ( -5.729 1.012 2.379) 6.285 2.909 ( -0.441 -1.300 3.862) 4.099 3.086 ( -2.211 4.257 -2.287) 5.314 3.337 ( -6.295 -7.957 -0.577) 10.163 3.435 ( -1.853 -4.165 -4.794) 6.616 3.722 ( -2.314 -11.879 0.599) 12.117 3.843 ( 3.038 -5.549 -2.303) 6.733 3.976 ( -9.152 2.749 3.707) 10.250 4.285 ( -0.581 -1.311 -0.792) 1.638 4.413 ( 3.080 5.281 0.299) 6.121 4.613 ( 6.857 3.086 -1.419) 7.652 4.680 ( 5.669 0.848 -2.752) 6.359 4.800 ( -4.651 -3.897 2.357) 6.509 4.910 ( -3.524 0.160 0.463) 3.558 4.956 ( 2.091 -2.802 0.707) 3.567 5.027 ( -1.415 -1.250 0.172) 1.896 5.048 ( -0.221 1.989 -1.110) 2.288 5.128 ( 0.668 -2.588 -1.093) 2.888 5.240 ( -2.290 1.455 0.913) 2.863 5.320 ( -5.596 -7.521 -1.082) 9.437 5.380 ( -2.026 -6.116 0.977) 6.517 5.625 ( -5.168 1.594 0.945) 5.490 5.804 ( 3.750 -0.491 1.139) 3.950 5.919 ( -5.129 -3.340 1.816) 6.385 6.056 ( 7.371 -5.929 -2.319) 9.739 6.136 ( 5.572 -0.611 4.070) 6.927 6.269 ( 10.968 -7.155 -4.365) 13.804 6.427 ( -2.733 -3.199 -2.222) 4.758 6.584 ( 0.258 -0.132 -3.455) 3.467 6.638 ( 0.104 1.007 -3.368) 3.517 6.669 ( 2.318 -0.536 -2.505) 3.455 6.835 ( 0.629 2.389 4.827) 5.422 6.969 ( 4.563 0.789 1.217) 4.788 7.237 ( 6.050 1.834 0.574) 6.348 7.294 ( 0.518 -0.625 -4.603) 4.674 7.391 ( -0.462 -0.895 4.527) 4.637 7.413 ( 1.224 1.928 -4.197) 4.778 7.461 ( 4.158 4.395 3.393) 6.937 7.707 ( -0.560 -1.582 -1.056) 1.983 7.837 ( 3.178 -1.428 -0.749) 3.563 7.886 ( -0.991 0.767 8.659) 8.750 7.970 ( -1.655 0.836 -2.052) 2.766 8.057 ( 1.458 2.522 -1.253) 3.171 8.191 ( 2.505 -8.797 -3.621) 9.837 8.552 ( 1.311 -0.318 0.027) 1.349 8.707 ( 4.954 -9.945 -4.757) 12.087 8.826 ( 10.661 3.275 -7.557) 13.472 9.302 ( 2.893 -4.344 -0.346) 5.231 9.637 ( -4.392 0.476 0.283) 4.427 9.780 ( -1.695 -7.263 -0.375) 7.468 9.995 ( -1.389 2.710 2.758) 4.109 10.392 ( 0.769 2.796 2.395) 3.761 10.675 ( -2.448 3.015 -10.418) 11.119 10.878 ( -0.241 -3.088 4.712) 5.638 10.979 ( -2.109 -2.434 1.850) 3.714 11.203 ( -0.367 0.175 6.537) 6.549 11.371 ( -0.746 -2.824 -3.977) 4.934 11.926 ( -1.306 2.285 -9.128) 9.499 12.077 ( -4.814 4.328 -3.839) 7.526 12.133 ( 1.617 3.626 3.319) 5.174 12.291 ( -7.418 12.726 -6.372) 16.049 12.371 ( -0.808 2.116 -2.713) 3.534 12.519 ( 0.801 2.509 -1.407) 2.986 13.064 ( 2.935 -3.853 11.818) 12.772 13.174 ( -2.380 -1.867 -1.373) 3.322 13.370 ( -2.704 3.893 8.463) 9.700 13.650 ( 0.011 4.589 -0.464) 4.612 14.192 ( 2.968 -6.082 1.275) 6.887 14.370 ( 1.532 -12.299 3.485) 12.875 14.514 ( 1.587 1.643 3.253) 3.975 14.716 ( -0.199 -2.865 9.331) 9.763 14.975 ( 0.852 5.077 5.384) 7.449 15.066 ( -0.897 -0.194 -0.432) 1.014 15.410 ( -6.304 -1.066 -3.462) 7.270 16.051 ( -10.141 -14.638 -5.240) 18.562 16.265 ( -4.222 0.141 0.961) 4.332 16.451 ( -0.242 2.067 -2.455) 3.219 16.625 ( 1.951 -0.492 5.475) 5.833 16.907 ( -0.840 3.498 -1.223) 3.800 17.450 ( 4.658 -4.627 6.476) 9.222 17.762 ( -0.553 0.344 4.083) 4.134 18.261 ( -0.615 2.061 -0.113) 2.154 18.340 ( -2.850 -0.949 -0.540) 3.052 ======================= Grid point 9 (7/108) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 16.407 2.577 3.962) 17.074 0.968 ( 15.322 6.384 17.228) 23.924 1.342 ( 8.997 6.241 13.883) 17.681 1.644 ( 7.296 2.823 1.322) 7.934 1.837 ( 9.311 1.131 -2.055) 9.602 1.884 ( -3.620 4.943 -4.262) 7.464 2.010 ( 3.468 3.892 -0.007) 5.213 2.138 ( 0.674 -1.774 -10.638) 10.806 2.205 ( -5.097 -1.756 0.933) 5.471 2.302 ( 0.455 0.389 1.981) 2.069 2.506 ( -1.919 3.904 3.160) 5.376 2.554 ( 0.806 1.975 -1.254) 2.474 2.682 ( -3.243 4.921 5.249) 7.892 2.736 ( 5.091 -1.373 -2.297) 5.751 2.910 ( -2.576 -3.045 3.497) 5.304 3.020 ( -2.254 4.577 -3.293) 6.073 3.203 ( -6.156 -4.879 -2.144) 8.142 3.335 ( -6.012 -0.397 -3.732) 7.087 3.699 ( -0.348 -8.523 -0.597) 8.551 3.786 ( -6.449 -0.466 -2.024) 6.775 3.912 ( -1.304 2.541 2.284) 3.657 4.220 ( -4.105 2.019 -1.664) 4.868 4.521 ( 6.287 -1.721 0.714) 6.557 4.690 ( -1.698 -0.118 0.094) 1.705 4.728 ( 3.485 -4.585 3.790) 6.894 4.786 ( 1.639 -3.610 -4.486) 5.987 4.882 ( -0.108 -0.667 0.708) 0.978 4.929 ( -5.256 -2.050 -1.599) 5.864 4.972 ( -1.300 1.414 1.395) 2.374 5.073 ( 2.941 0.144 -2.126) 3.632 5.153 ( 1.662 -2.099 1.571) 3.104 5.190 ( -1.079 0.023 -0.837) 1.366 5.239 ( -2.577 -3.797 -0.472) 4.613 5.364 ( -0.734 -4.697 -0.080) 4.755 5.534 ( -6.157 1.921 2.646) 6.971 5.786 ( -7.657 -3.580 0.715) 8.483 5.937 ( 6.001 -3.692 2.601) 7.510 6.155 ( 5.703 -5.749 -3.184) 8.701 6.232 ( 2.020 -0.582 3.180) 3.812 6.352 ( 0.841 -5.901 -1.529) 6.153 6.398 ( 0.489 0.232 1.120) 1.244 6.562 ( -0.609 1.754 -2.388) 3.025 6.610 ( 0.461 1.008 -6.109) 6.208 6.706 ( 3.845 1.219 -2.180) 4.585 6.896 ( 2.012 0.495 5.020) 5.431 7.086 ( 7.055 -3.144 0.676) 7.753 7.259 ( -0.868 1.136 -2.372) 2.769 7.299 ( 0.473 3.635 -1.752) 4.063 7.398 ( -0.334 -4.457 3.665) 5.780 7.487 ( 6.074 -0.488 0.775) 6.143 7.577 ( 6.175 4.718 0.403) 7.781 7.689 ( -0.470 -1.808 0.254) 1.885 7.871 ( -1.203 -0.509 1.345) 1.875 7.909 ( 2.380 -0.057 -5.097) 5.626 7.942 ( -1.752 -0.598 3.741) 4.174 8.093 ( 0.704 3.112 2.780) 4.232 8.157 ( -1.223 -5.965 -1.534) 6.279 8.573 ( -0.399 0.291 1.285) 1.377 8.711 ( 0.077 -5.772 -3.449) 6.725 8.971 ( 11.674 -7.755 -12.984) 19.106 9.394 ( 7.902 -2.125 -1.697) 8.357 9.529 ( -7.885 -1.354 0.868) 8.047 9.737 ( -3.264 -5.270 0.687) 6.237 9.977 ( -2.827 3.442 3.198) 5.483 10.423 ( 0.602 1.318 2.280) 2.702 10.591 ( -1.079 3.853 -5.761) 7.015 10.868 ( -1.232 -3.732 -1.180) 4.103 10.964 ( -1.528 -2.574 4.275) 5.219 11.245 ( -0.411 1.300 6.492) 6.633 11.307 ( -2.328 -0.708 -4.849) 5.425 11.852 ( -0.619 1.889 -6.900) 7.181 11.943 ( -4.192 6.630 -5.069) 9.339 12.182 ( 1.196 3.895 3.177) 5.167 12.261 ( 0.864 5.156 4.065) 6.623 12.352 ( 0.333 -0.341 -3.068) 3.104 12.525 ( 1.148 4.361 -2.395) 5.106 13.135 ( -0.776 0.227 2.371) 2.505 13.152 ( 0.609 -0.673 2.962) 3.098 13.348 ( -4.061 4.219 5.576) 8.086 13.645 ( -0.198 2.798 -0.700) 2.891 14.285 ( 5.889 -6.572 2.698) 9.228 14.399 ( 0.832 -10.362 0.236) 10.398 14.593 ( 4.156 -1.219 5.351) 6.884 14.752 ( -0.609 -1.779 6.201) 6.480 14.995 ( -2.471 5.994 2.545) 6.965 15.040 ( -1.576 -0.243 -0.179) 1.605 15.249 ( -7.988 -1.085 -2.604) 8.472 15.703 ( -20.926 -10.257 -8.517) 24.812 16.229 ( -1.485 1.720 2.003) 3.030 16.439 ( 0.305 1.960 -1.870) 2.725 16.703 ( 2.689 -0.222 4.691) 5.412 16.897 ( 0.207 3.591 -1.092) 3.759 17.565 ( 3.251 -7.376 7.192) 10.803 17.771 ( -0.860 -1.750 1.611) 2.529 18.236 ( -2.078 0.722 0.309) 2.222 18.287 ( -1.843 2.758 -1.802) 3.775 ======================= Grid point 10 (8/108) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 13.306 1.104 2.381) 13.563 1.259 ( 3.228 -1.325 1.790) 3.922 1.426 ( 3.098 -0.787 10.043) 10.539 1.660 ( -10.033 4.337 -1.053) 10.980 1.892 ( 0.375 -2.365 0.013) 2.394 1.948 ( 9.391 0.065 -0.024) 9.391 2.031 ( 0.609 0.744 1.096) 1.458 2.144 ( 1.026 2.393 -7.879) 8.298 2.209 ( 7.013 6.992 -0.157) 9.904 2.334 ( 0.103 0.940 2.574) 2.742 2.385 ( -6.800 6.684 -0.627) 9.555 2.600 ( 0.238 0.046 0.012) 0.243 2.704 ( 1.330 5.405 4.876) 7.400 2.790 ( 2.772 -3.264 -2.550) 4.984 2.848 ( -5.357 -2.185 2.273) 6.216 2.988 ( 0.235 2.880 -2.368) 3.736 3.140 ( 0.804 2.493 -3.021) 3.999 3.205 ( -5.715 1.076 0.894) 5.884 3.654 ( -3.161 0.332 -0.925) 3.310 3.739 ( 1.973 -6.126 -0.292) 6.442 3.879 ( -2.806 2.225 0.007) 3.581 4.148 ( -2.300 5.189 -0.679) 5.716 4.606 ( 2.828 -2.902 0.730) 4.117 4.649 ( -2.869 -1.042 2.178) 3.750 4.757 ( 0.581 -6.129 -5.830) 8.479 4.776 ( -2.534 -2.642 3.309) 4.935 4.882 ( -0.372 -3.577 1.339) 3.837 4.918 ( 6.235 -3.443 -4.593) 8.475 4.965 ( -1.206 -0.287 3.810) 4.007 5.078 ( 0.050 -0.290 -1.502) 1.531 5.166 ( -2.521 -4.366 1.003) 5.141 5.211 ( -0.588 -3.960 1.323) 4.216 5.247 ( 4.917 1.118 -1.015) 5.143 5.323 ( -1.827 -3.113 -2.571) 4.431 5.478 ( -1.773 0.124 3.156) 3.623 5.656 ( -5.385 2.835 -0.354) 6.096 6.043 ( 3.233 -6.752 1.368) 7.610 6.208 ( 1.838 -5.610 -1.612) 6.119 6.267 ( 1.178 -2.997 0.725) 3.301 6.327 ( -1.972 -2.874 0.115) 3.487 6.428 ( 0.911 3.325 1.252) 3.668 6.540 ( -0.478 3.108 -0.448) 3.176 6.582 ( 0.062 -0.814 -3.332) 3.430 6.769 ( 3.020 3.398 -0.199) 4.551 6.942 ( 0.464 -0.581 1.430) 1.612 7.200 ( 3.977 -1.776 -0.057) 4.356 7.239 ( 0.530 -0.552 -0.206) 0.793 7.283 ( -1.557 0.332 -0.227) 1.608 7.399 ( -0.644 -5.337 0.909) 5.452 7.566 ( 1.628 0.018 0.319) 1.659 7.677 ( 4.396 2.337 0.255) 4.986 7.703 ( 0.730 0.536 0.595) 1.084 7.851 ( 0.375 0.036 -2.632) 2.658 7.882 ( -2.026 1.223 -0.648) 2.454 7.939 ( -1.030 -2.415 1.190) 2.883 8.068 ( -2.118 1.478 1.712) 3.099 8.209 ( 3.379 -4.663 0.773) 5.810 8.556 ( -1.196 -0.378 0.461) 1.336 8.677 ( -1.293 -3.633 -2.048) 4.366 9.094 ( 8.152 -8.896 -5.780) 13.379 9.388 ( -7.195 -2.752 1.404) 7.830 9.538 ( 8.980 -2.136 -2.803) 9.647 9.666 ( -6.060 -1.904 2.399) 6.790 9.945 ( -1.824 4.138 1.175) 4.672 10.436 ( 0.031 0.864 0.422) 0.962 10.560 ( -0.100 4.076 -1.377) 4.304 10.842 ( -0.568 -4.738 -0.893) 4.855 10.979 ( -0.028 -3.937 3.244) 5.101 11.215 ( -1.027 1.217 -5.137) 5.378 11.294 ( -0.756 2.423 4.736) 5.374 11.817 ( 0.171 2.667 -3.032) 4.041 11.872 ( -1.507 3.090 -1.572) 3.781 12.212 ( 0.472 3.946 1.148) 4.137 12.304 ( 0.176 -1.785 3.609) 4.031 12.346 ( 1.056 2.598 -2.405) 3.694 12.527 ( 0.480 5.444 -1.503) 5.668 13.138 ( 1.525 1.500 -2.335) 3.167 13.166 ( -1.984 3.690 4.203) 5.934 13.320 ( -1.422 1.859 1.914) 3.024 13.637 ( -0.182 1.199 -0.362) 1.266 14.399 ( 1.676 -8.313 1.370) 8.590 14.423 ( 3.618 -7.712 0.440) 8.530 14.718 ( 4.749 -8.255 6.803) 11.704 14.806 ( 3.004 3.271 1.327) 4.635 14.896 ( -5.638 0.160 -3.639) 6.713 15.015 ( -1.699 0.531 1.223) 2.160 15.147 ( -2.131 0.692 -1.243) 2.562 15.306 ( -14.340 1.140 -5.083) 15.257 16.222 ( -0.422 1.009 0.813) 1.363 16.435 ( 0.153 1.871 -0.716) 2.009 16.766 ( 1.425 -0.122 2.063) 2.510 16.893 ( 0.018 3.333 -0.744) 3.415 17.663 ( 2.569 -7.195 6.955) 10.332 17.741 ( -1.817 -5.037 -3.829) 6.584 18.208 ( -1.173 3.769 0.949) 4.060 18.254 ( -0.467 2.196 -1.580) 2.745 ======================= Grid point 14 (9/108) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 0.000 16.138 0.000) 16.138 0.843 ( 0.000 19.768 0.000) 19.768 1.237 ( 0.000 20.227 0.000) 20.227 1.573 ( 0.000 10.486 0.000) 10.486 1.762 ( 0.000 5.858 0.000) 5.858 1.986 ( 0.000 4.599 0.000) 4.599 2.106 ( 0.000 4.160 0.000) 4.160 2.110 ( 0.000 -3.901 0.000) 3.901 2.262 ( 0.000 -0.287 0.000) 0.287 2.363 ( 0.000 5.731 0.000) 5.731 2.479 ( 0.000 6.633 0.000) 6.633 2.595 ( 0.000 0.193 0.000) 0.193 2.686 ( 0.000 -8.987 0.000) 8.987 2.786 ( 0.000 2.996 0.000) 2.996 2.983 ( 0.000 5.595 0.000) 5.595 3.135 ( 0.000 -9.708 0.000) 9.708 3.233 ( 0.000 0.955 0.000) 0.955 3.351 ( 0.000 -6.843 0.000) 6.843 3.418 ( 0.000 -16.648 0.000) 16.648 3.697 ( 0.000 -4.979 0.000) 4.979 4.181 ( 0.000 8.072 0.000) 8.072 4.258 ( 0.000 1.016 0.000) 1.016 4.509 ( 0.000 -3.134 0.000) 3.134 4.547 ( 0.000 -2.310 0.000) 2.310 4.629 ( 0.000 -2.010 0.000) 2.010 4.731 ( 0.000 -3.641 0.000) 3.641 4.915 ( 0.000 1.099 0.000) 1.099 4.956 ( 0.000 1.472 0.000) 1.472 4.984 ( 0.000 -3.213 0.000) 3.213 5.071 ( 0.000 1.005 0.000) 1.005 5.086 ( 0.000 -7.163 0.000) 7.163 5.182 ( 0.000 -8.355 0.000) 8.355 5.286 ( 0.000 -1.164 0.000) 1.164 5.289 ( 0.000 0.355 0.000) 0.355 5.637 ( 0.000 -8.095 0.000) 8.095 5.783 ( 0.000 -0.153 0.000) 0.153 5.811 ( 0.000 -7.617 0.000) 7.617 5.987 ( 0.000 -2.072 0.000) 2.072 6.043 ( 0.000 2.696 0.000) 2.696 6.159 ( 0.000 3.694 0.000) 3.694 6.371 ( 0.000 -5.703 0.000) 5.703 6.566 ( 0.000 -2.297 0.000) 2.297 6.640 ( 0.000 0.176 0.000) 0.176 6.654 ( 0.000 0.420 0.000) 0.420 6.858 ( 0.000 3.197 0.000) 3.197 7.037 ( 0.000 4.803 0.000) 4.803 7.148 ( 0.000 -0.160 0.000) 0.160 7.328 ( 0.000 -1.803 0.000) 1.803 7.361 ( 0.000 3.272 0.000) 3.272 7.525 ( 0.000 3.139 0.000) 3.139 7.540 ( 0.000 8.078 0.000) 8.078 7.630 ( 0.000 -6.103 0.000) 6.103 7.842 ( 0.000 3.522 0.000) 3.522 7.875 ( 0.000 0.469 0.000) 0.469 7.948 ( 0.000 -0.185 0.000) 0.185 7.994 ( 0.000 -2.521 0.000) 2.521 8.210 ( 0.000 1.947 0.000) 1.947 8.512 ( 0.000 -0.850 0.000) 0.850 8.541 ( 0.000 -5.790 0.000) 5.790 8.945 ( 0.000 7.825 0.000) 7.825 9.169 ( 0.000 -5.370 0.000) 5.370 9.610 ( 0.000 -11.006 0.000) 11.006 9.712 ( 0.000 2.428 0.000) 2.428 10.030 ( 0.000 1.047 0.000) 1.047 10.455 ( 0.000 4.034 0.000) 4.034 10.781 ( 0.000 -1.389 0.000) 1.389 10.795 ( 0.000 0.262 0.000) 0.262 10.915 ( 0.000 -5.776 0.000) 5.776 11.171 ( 0.000 -1.053 0.000) 1.053 11.306 ( 0.000 -4.634 0.000) 4.634 12.047 ( 0.000 3.887 0.000) 3.887 12.142 ( 0.000 2.512 0.000) 2.512 12.175 ( 0.000 3.096 0.000) 3.096 12.402 ( 0.000 2.370 0.000) 2.370 12.553 ( 0.000 2.250 0.000) 2.250 12.619 ( 0.000 1.456 0.000) 1.456 12.950 ( 0.000 3.328 0.000) 3.328 13.143 ( 0.000 -3.147 0.000) 3.147 13.427 ( 0.000 4.728 0.000) 4.728 13.744 ( 0.000 3.379 0.000) 3.379 14.061 ( 0.000 -3.725 0.000) 3.725 14.170 ( 0.000 -6.064 0.000) 6.064 14.496 ( 0.000 -1.168 0.000) 1.168 14.654 ( 0.000 -2.108 0.000) 2.108 15.045 ( 0.000 -3.541 0.000) 3.541 15.099 ( 0.000 10.250 0.000) 10.250 15.503 ( 0.000 3.858 0.000) 3.858 15.785 ( 0.000 -22.186 0.000) 22.186 16.299 ( 0.000 1.409 0.000) 1.409 16.504 ( 0.000 2.488 0.000) 2.488 16.565 ( 0.000 -1.661 0.000) 1.661 16.941 ( 0.000 0.133 0.000) 0.133 17.431 ( 0.000 3.624 0.000) 3.624 17.746 ( 0.000 -1.390 0.000) 1.390 18.318 ( 0.000 -1.368 0.000) 1.368 18.343 ( 0.000 4.385 0.000) 4.385 ======================= Grid point 15 (10/108) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 7.321 12.326 23.137) 27.219 0.835 ( 1.654 18.713 5.737) 19.642 1.336 ( 6.697 11.416 3.068) 13.586 1.677 ( 9.618 13.840 -0.821) 16.873 1.752 ( 2.756 3.623 -4.052) 6.095 2.013 ( 0.856 0.467 -0.768) 1.241 2.079 ( -3.332 4.833 1.897) 6.170 2.110 ( 1.696 -0.475 -2.432) 3.002 2.264 ( 0.479 0.695 0.242) 0.878 2.350 ( -1.234 5.888 -1.155) 6.126 2.519 ( 3.926 6.530 1.178) 7.710 2.593 ( -0.040 -0.671 -0.910) 1.132 2.683 ( -1.147 -6.941 4.093) 8.139 2.766 ( -1.506 3.376 -1.548) 4.008 2.948 ( -3.253 4.478 0.971) 5.619 3.129 ( -1.371 -6.334 -1.965) 6.772 3.200 ( -3.259 0.520 -0.219) 3.308 3.297 ( -0.309 -9.507 -6.376) 11.451 3.467 ( 2.717 -11.800 1.494) 12.201 3.736 ( 4.060 -5.229 -1.068) 6.706 4.063 ( -8.772 5.426 2.238) 10.555 4.282 ( -2.477 1.603 0.376) 2.974 4.483 ( 0.800 -2.588 -0.420) 2.742 4.587 ( 1.841 -5.694 -0.505) 6.005 4.640 ( 0.137 -6.093 -1.261) 6.224 4.734 ( 1.301 2.688 -0.872) 3.111 4.909 ( -2.078 -0.697 0.708) 2.303 4.945 ( -1.219 -1.602 -0.968) 2.233 4.977 ( -0.988 -2.205 -0.424) 2.453 5.065 ( -0.093 -3.168 -0.582) 3.222 5.080 ( 1.611 1.443 1.813) 2.822 5.170 ( -1.390 -7.651 -0.209) 7.779 5.250 ( -2.640 -0.220 -1.089) 2.865 5.304 ( -0.949 -0.273 3.435) 3.574 5.596 ( -4.088 -5.461 1.503) 6.985 5.765 ( -1.125 -4.179 -0.431) 4.349 5.827 ( -0.517 -4.464 0.154) 4.496 5.969 ( 3.171 -3.670 -2.160) 5.310 6.144 ( 5.370 0.766 3.343) 6.372 6.201 ( 3.435 -0.489 -0.124) 3.472 6.368 ( 1.540 -2.789 -2.102) 3.817 6.562 ( 0.185 -1.980 -0.069) 1.989 6.650 ( 0.719 0.918 -0.707) 1.363 6.674 ( 2.344 1.213 -1.304) 2.944 6.882 ( 0.752 2.048 3.197) 3.870 6.991 ( -1.793 1.794 1.194) 2.803 7.222 ( 4.688 -2.096 -1.857) 5.461 7.345 ( 3.229 2.152 -0.274) 3.890 7.369 ( -0.969 1.126 3.222) 3.548 7.461 ( -3.666 1.789 -1.314) 4.285 7.585 ( 4.006 5.805 1.516) 7.214 7.659 ( 2.234 -1.324 -4.270) 4.998 7.842 ( -0.040 0.879 -0.855) 1.227 7.889 ( 2.204 -1.196 0.436) 2.545 7.962 ( 0.276 -4.510 -0.782) 4.586 7.995 ( -0.460 2.480 3.002) 3.921 8.203 ( -0.960 1.716 0.066) 1.967 8.527 ( 2.599 -4.786 -2.230) 5.885 8.551 ( -0.203 -3.099 2.989) 4.311 8.923 ( -0.018 3.483 -5.593) 6.588 9.220 ( 4.591 -2.615 2.194) 5.721 9.604 ( -0.779 -8.564 -0.791) 8.635 9.675 ( -4.034 1.178 1.531) 4.473 10.029 ( -1.403 0.963 3.105) 3.541 10.458 ( -0.214 3.453 1.459) 3.755 10.699 ( -1.014 0.232 -10.392) 10.444 10.835 ( -0.086 -1.683 0.405) 1.733 10.900 ( -2.087 -5.567 3.224) 6.763 11.206 ( 0.970 0.015 7.397) 7.461 11.300 ( 0.081 -3.834 -2.334) 4.489 11.984 ( -1.909 3.592 -8.630) 9.541 12.142 ( -2.211 3.236 -0.956) 4.033 12.201 ( 2.333 2.876 2.479) 4.457 12.369 ( -2.375 2.094 -2.443) 3.999 12.497 ( -5.143 5.494 -8.357) 11.246 12.578 ( 1.997 3.042 0.229) 3.646 13.043 ( 4.378 1.125 7.297) 8.583 13.136 ( 0.193 -1.504 -1.338) 2.023 13.446 ( -2.114 4.023 8.785) 9.890 13.731 ( -1.371 3.010 -0.119) 3.310 14.087 ( 2.577 -4.051 1.201) 4.949 14.185 ( 1.760 -6.756 -0.709) 7.017 14.492 ( -1.113 -2.873 2.382) 3.894 14.684 ( 2.382 -1.111 2.368) 3.537 15.031 ( -1.643 -4.069 -0.276) 4.397 15.117 ( 0.241 8.432 3.239) 9.036 15.423 ( -6.644 2.474 -4.644) 8.475 15.704 ( -7.822 -18.137 -2.548) 19.916 16.288 ( -1.156 1.849 0.219) 2.191 16.499 ( 0.026 2.931 -1.334) 3.221 16.602 ( 2.366 -1.960 3.942) 4.998 16.946 ( 0.552 0.717 -0.213) 0.930 17.441 ( 1.089 1.826 0.337) 2.153 17.739 ( -0.925 -2.485 -0.176) 2.658 18.290 ( -1.720 0.773 -0.730) 2.023 18.354 ( -0.418 3.006 1.824) 3.541 ======================= Grid point 16 (11/108) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 7.371 13.605 6.147) 16.650 1.085 ( 10.832 7.039 22.373) 25.835 1.408 ( -1.609 3.115 1.114) 3.679 1.788 ( 8.747 5.208 -2.294) 10.435 1.856 ( -1.432 2.898 0.542) 3.277 2.000 ( -4.956 5.137 0.194) 7.141 2.015 ( 8.066 3.584 -6.966) 11.244 2.186 ( 4.973 3.945 4.160) 7.590 2.259 ( -2.084 4.653 -0.911) 5.179 2.336 ( 2.174 3.177 -1.679) 4.200 2.555 ( -3.946 0.914 0.656) 4.103 2.605 ( 2.927 2.277 -0.896) 3.815 2.715 ( 2.728 0.261 -0.693) 2.826 2.742 ( 0.644 0.937 1.979) 2.283 2.899 ( -3.780 3.186 1.434) 5.147 3.065 ( -2.215 -2.844 -3.448) 4.988 3.138 ( -2.556 0.640 0.862) 2.772 3.281 ( 1.194 -4.814 -4.138) 6.459 3.526 ( 3.811 -8.372 -0.245) 9.202 3.765 ( -0.936 -1.959 -4.205) 4.733 3.970 ( -3.586 2.872 4.754) 6.611 4.193 ( -4.502 -2.656 -1.160) 5.355 4.507 ( -0.586 -4.672 -0.300) 4.719 4.578 ( -0.337 -9.987 0.885) 10.032 4.665 ( 2.939 -2.366 2.116) 4.326 4.719 ( -2.725 -1.796 -4.492) 5.552 4.827 ( -5.790 -4.190 -2.641) 7.619 4.883 ( -1.291 -0.591 0.194) 1.433 5.014 ( 1.448 1.355 1.792) 2.673 5.067 ( -0.368 -1.569 -0.385) 1.657 5.124 ( -0.361 0.276 2.771) 2.808 5.165 ( 0.438 -2.388 -1.135) 2.680 5.213 ( 2.517 0.552 -0.944) 2.744 5.281 ( -3.292 -1.512 1.884) 4.083 5.522 ( -5.869 -4.209 2.725) 7.720 5.713 ( -2.672 -3.813 -0.866) 4.736 5.859 ( 3.432 -4.064 0.280) 5.327 6.034 ( 4.298 -6.379 -1.314) 7.803 6.214 ( 0.699 -1.045 0.609) 1.397 6.240 ( 0.755 -4.687 0.233) 4.753 6.427 ( 4.960 1.440 0.340) 5.176 6.572 ( 0.834 0.298 -1.174) 1.471 6.644 ( -1.040 2.430 -0.484) 2.687 6.725 ( 4.445 1.170 -0.859) 4.676 6.907 ( 0.312 0.492 3.443) 3.492 7.034 ( 4.550 -2.100 2.013) 5.400 7.254 ( 1.877 -3.141 -4.015) 5.432 7.346 ( -5.152 0.143 4.772) 7.024 7.357 ( -2.354 2.688 -0.966) 3.701 7.489 ( 6.176 0.391 2.088) 6.531 7.637 ( -0.253 -2.825 -1.574) 3.243 7.692 ( 4.827 5.605 -0.605) 7.422 7.840 ( 1.088 -0.886 0.519) 1.496 7.895 ( -0.129 -1.871 -6.810) 7.064 7.982 ( -3.248 2.813 2.595) 5.020 8.004 ( 5.164 -5.823 -0.524) 7.801 8.171 ( -3.277 2.478 1.870) 4.514 8.542 ( -0.452 -5.410 0.786) 5.486 8.589 ( 1.931 -3.188 1.137) 3.897 8.895 ( 1.314 -1.895 -4.390) 4.959 9.339 ( 7.411 -2.275 -1.963) 7.997 9.537 ( -5.409 2.034 -1.574) 5.990 9.641 ( -1.312 -5.104 3.843) 6.522 10.012 ( -3.152 0.653 4.126) 5.233 10.466 ( -0.116 2.433 1.818) 3.040 10.634 ( 0.495 0.895 -7.605) 7.674 10.797 ( -2.174 -3.866 -3.420) 5.601 10.892 ( -1.814 -4.341 4.293) 6.369 11.274 ( -0.497 -1.509 -4.275) 4.561 11.283 ( 1.171 1.859 8.930) 9.197 11.905 ( -0.755 3.452 -6.655) 7.534 12.055 ( -4.209 4.892 -6.098) 8.879 12.252 ( 1.390 1.966 1.845) 3.033 12.311 ( -2.151 2.529 -0.476) 3.354 12.421 ( 0.168 4.763 -3.030) 5.647 12.609 ( 1.406 3.628 -0.685) 3.950 13.136 ( 2.204 -0.241 -1.047) 2.452 13.166 ( 3.698 2.419 3.930) 5.914 13.436 ( -5.309 4.580 8.596) 11.092 13.697 ( -2.183 2.057 -0.278) 3.013 14.167 ( 4.848 -5.170 2.111) 7.395 14.219 ( 2.644 -7.172 -1.197) 7.737 14.494 ( -0.896 -6.082 4.541) 7.643 14.766 ( 4.773 1.069 2.842) 5.657 14.964 ( -5.930 -7.189 -2.528) 9.656 15.117 ( -2.999 4.920 1.922) 6.074 15.263 ( -5.936 2.632 -2.966) 7.139 15.502 ( -11.007 -8.332 -3.895) 14.344 16.267 ( -1.194 2.157 0.250) 2.478 16.492 ( 0.179 3.388 -1.331) 3.644 16.682 ( 3.081 -2.080 4.269) 5.661 16.955 ( 0.574 1.810 -0.612) 1.995 17.477 ( 1.823 -1.782 2.914) 3.872 17.702 ( -2.012 -4.620 -3.323) 6.036 18.265 ( -1.119 2.321 1.807) 3.147 18.343 ( -1.429 3.130 0.094) 3.441 ======================= Grid point 17 (12/108) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 9.501 4.038 4.461) 11.246 1.248 ( -5.632 5.976 -1.809) 8.408 1.464 ( 7.818 3.343 14.213) 16.562 1.756 ( -3.264 -0.631 -2.682) 4.272 1.816 ( -7.483 3.712 -7.894) 11.493 2.011 ( 8.415 5.528 6.820) 12.161 2.141 ( 0.739 7.143 -0.453) 7.195 2.204 ( 0.426 3.220 -5.398) 6.300 2.308 ( 5.023 3.002 4.091) 7.140 2.378 ( 1.487 2.329 -0.055) 2.764 2.467 ( -3.846 2.033 -3.103) 5.344 2.611 ( -0.758 -0.970 -0.180) 1.244 2.737 ( 3.221 -0.056 -3.019) 4.415 2.803 ( -3.456 4.019 1.972) 5.655 2.836 ( 0.595 2.157 2.520) 3.370 3.021 ( -0.802 0.169 -1.642) 1.836 3.153 ( 1.746 -0.280 1.369) 2.236 3.266 ( -0.589 3.225 -1.458) 3.588 3.609 ( 5.040 -5.340 -0.105) 7.344 3.689 ( -3.056 0.990 -2.495) 4.067 3.902 ( -5.606 -0.263 0.938) 5.690 4.181 ( 1.750 -2.223 0.173) 2.835 4.480 ( 0.257 -11.821 1.042) 11.869 4.588 ( -5.513 -4.644 -1.986) 7.477 4.631 ( 2.073 -8.919 2.230) 9.425 4.710 ( -2.800 -2.370 -2.513) 4.447 4.770 ( 4.435 -3.063 -0.511) 5.414 4.860 ( -2.313 -2.317 -0.501) 3.312 5.013 ( -2.314 3.141 1.827) 4.308 5.060 ( 0.249 -2.743 -0.084) 2.756 5.114 ( -0.522 2.216 0.599) 2.354 5.161 ( -0.681 -0.781 0.095) 1.041 5.249 ( 0.499 -3.806 -0.829) 3.927 5.290 ( 3.378 2.465 0.039) 4.181 5.432 ( -4.686 -3.834 1.339) 6.201 5.685 ( -0.425 -1.428 -0.077) 1.492 5.915 ( 1.983 -6.213 -0.005) 6.521 6.089 ( 1.865 -6.408 -0.086) 6.674 6.213 ( 0.234 -2.134 -0.439) 2.191 6.239 ( -0.948 -5.041 0.324) 5.139 6.495 ( 1.827 0.883 -0.138) 2.033 6.575 ( 0.121 3.264 0.037) 3.266 6.619 ( -0.872 3.393 -0.491) 3.537 6.810 ( 4.084 1.838 0.648) 4.525 6.934 ( 0.061 -0.956 1.152) 1.499 7.146 ( 6.481 -2.747 0.481) 7.056 7.251 ( -1.817 -3.321 -1.159) 3.959 7.264 ( -3.046 1.509 -0.022) 3.399 7.312 ( -2.655 -2.082 1.191) 3.578 7.575 ( 1.004 0.081 1.617) 1.905 7.660 ( 3.532 -2.591 -0.191) 4.384 7.730 ( 0.301 0.731 0.343) 0.862 7.827 ( -1.785 -2.567 -2.611) 4.073 7.878 ( -1.011 -2.578 -1.869) 3.341 7.959 ( 2.323 5.510 0.438) 5.996 8.088 ( 2.804 -5.575 0.154) 6.242 8.118 ( -2.919 2.769 0.997) 4.145 8.547 ( 0.279 -1.718 2.350) 2.924 8.586 ( -1.405 -5.027 -2.487) 5.782 8.926 ( 2.436 -6.571 0.340) 7.016 9.380 ( -0.831 1.848 -4.743) 5.157 9.485 ( 0.713 -2.007 1.449) 2.576 9.657 ( 0.440 -0.779 1.934) 2.131 9.977 ( -2.371 0.025 2.015) 3.112 10.474 ( 0.027 1.978 0.785) 2.128 10.617 ( 0.979 1.870 -2.758) 3.473 10.740 ( -1.711 -5.371 -1.269) 5.778 10.889 ( -0.689 -4.787 1.670) 5.117 11.239 ( -0.390 1.277 -2.658) 2.975 11.345 ( 0.475 2.719 4.286) 5.097 11.884 ( 1.311 3.992 -1.263) 4.387 11.948 ( -3.234 4.440 -4.216) 6.924 12.266 ( -0.234 -0.651 0.175) 0.714 12.296 ( 0.015 3.893 0.571) 3.935 12.425 ( 0.768 3.641 -0.607) 3.771 12.620 ( 0.389 3.634 -0.527) 3.693 13.166 ( 1.853 1.418 -1.474) 2.760 13.244 ( 2.025 3.520 1.785) 4.436 13.388 ( -3.605 5.282 3.872) 7.476 13.660 ( -1.286 1.002 -0.192) 1.642 14.237 ( 1.231 -7.531 0.198) 7.634 14.283 ( 3.839 -6.229 0.526) 7.335 14.537 ( 2.755 -8.623 5.081) 10.381 14.754 ( -8.877 -7.990 -5.322) 13.075 14.913 ( 6.220 1.938 1.874) 6.779 15.062 ( -3.786 3.471 1.107) 5.254 15.167 ( -4.418 1.069 -1.928) 4.937 15.336 ( -3.831 1.414 -1.326) 4.293 16.252 ( -0.477 2.043 0.098) 2.100 16.488 ( 0.102 3.551 -0.546) 3.594 16.748 ( 1.481 -2.046 1.873) 3.145 16.957 ( 0.176 2.603 -0.468) 2.651 17.541 ( 2.105 -4.579 5.245) 7.273 17.630 ( -2.343 -5.686 -5.608) 8.322 18.274 ( 0.290 3.324 2.832) 4.377 18.310 ( -1.377 3.253 -1.823) 3.975 ======================= Grid point 21 (13/108) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.000 20.681 0.000) 20.681 1.193 ( 0.000 15.996 0.000) 15.996 1.465 ( 0.000 8.768 0.000) 8.768 1.775 ( 0.000 5.652 0.000) 5.652 1.949 ( 0.000 -3.047 0.000) 3.047 1.982 ( 0.000 12.644 0.000) 12.644 2.095 ( 0.000 -0.288 0.000) 0.288 2.191 ( 0.000 4.625 0.000) 4.625 2.283 ( 0.000 2.068 0.000) 2.068 2.496 ( 0.000 -9.347 0.000) 9.347 2.498 ( 0.000 -1.156 0.000) 1.156 2.583 ( 0.000 2.288 0.000) 2.288 2.667 ( 0.000 11.786 0.000) 11.786 2.829 ( 0.000 3.282 0.000) 3.282 2.939 ( 0.000 -5.535 0.000) 5.535 3.076 ( 0.000 2.575 0.000) 2.575 3.171 ( 0.000 -6.641 0.000) 6.641 3.206 ( 0.000 -7.863 0.000) 7.863 3.291 ( 0.000 2.166 0.000) 2.166 3.623 ( 0.000 -2.768 0.000) 2.768 4.226 ( 0.000 -8.285 0.000) 8.285 4.346 ( 0.000 -3.963 0.000) 3.963 4.367 ( 0.000 9.577 0.000) 9.577 4.464 ( 0.000 -5.552 0.000) 5.552 4.572 ( 0.000 -2.985 0.000) 2.985 4.764 ( 0.000 0.888 0.000) 0.888 4.897 ( 0.000 -7.686 0.000) 7.686 4.909 ( 0.000 -2.823 0.000) 2.823 4.918 ( 0.000 0.098 0.000) 0.098 5.033 ( 0.000 2.946 0.000) 2.946 5.041 ( 0.000 -2.947 0.000) 2.947 5.112 ( 0.000 0.561 0.000) 0.561 5.269 ( 0.000 -0.737 0.000) 0.737 5.322 ( 0.000 1.682 0.000) 1.682 5.450 ( 0.000 -10.045 0.000) 10.045 5.634 ( 0.000 -9.919 0.000) 9.919 5.775 ( 0.000 -0.669 0.000) 0.669 5.911 ( 0.000 -4.944 0.000) 4.944 6.120 ( 0.000 4.228 0.000) 4.228 6.228 ( 0.000 2.429 0.000) 2.429 6.269 ( 0.000 -3.893 0.000) 3.893 6.497 ( 0.000 -4.821 0.000) 4.821 6.666 ( 0.000 2.638 0.000) 2.638 6.676 ( 0.000 2.210 0.000) 2.210 6.926 ( 0.000 3.036 0.000) 3.036 7.120 ( 0.000 4.183 0.000) 4.183 7.121 ( 0.000 -3.488 0.000) 3.488 7.291 ( 0.000 -1.465 0.000) 1.465 7.423 ( 0.000 2.504 0.000) 2.504 7.519 ( 0.000 -3.842 0.000) 3.842 7.586 ( 0.000 3.219 0.000) 3.219 7.707 ( 0.000 7.871 0.000) 7.871 7.843 ( 0.000 -2.202 0.000) 2.202 7.889 ( 0.000 -0.651 0.000) 0.651 7.974 ( 0.000 0.305 0.000) 0.305 7.999 ( 0.000 4.291 0.000) 4.291 8.158 ( 0.000 -6.193 0.000) 6.193 8.417 ( 0.000 -6.326 0.000) 6.326 8.543 ( 0.000 3.972 0.000) 3.972 9.050 ( 0.000 2.263 0.000) 2.263 9.102 ( 0.000 -1.259 0.000) 1.259 9.385 ( 0.000 -11.317 0.000) 11.317 9.770 ( 0.000 3.523 0.000) 3.523 10.040 ( 0.000 -0.148 0.000) 0.148 10.520 ( 0.000 2.472 0.000) 2.472 10.753 ( 0.000 -6.391 0.000) 6.391 10.765 ( 0.000 -0.062 0.000) 0.062 10.830 ( 0.000 -0.634 0.000) 0.634 11.146 ( 0.000 -1.430 0.000) 1.430 11.215 ( 0.000 -4.441 0.000) 4.441 12.123 ( 0.000 3.648 0.000) 3.648 12.178 ( 0.000 1.279 0.000) 1.279 12.240 ( 0.000 3.514 0.000) 3.514 12.441 ( 0.000 0.926 0.000) 0.926 12.599 ( 0.000 2.451 0.000) 2.451 12.651 ( 0.000 1.827 0.000) 1.827 13.023 ( 0.000 3.977 0.000) 3.977 13.108 ( 0.000 -0.481 0.000) 0.481 13.509 ( 0.000 3.536 0.000) 3.536 13.762 ( 0.000 -1.488 0.000) 1.488 14.028 ( 0.000 0.063 0.000) 0.063 14.087 ( 0.000 -2.587 0.000) 2.587 14.480 ( 0.000 0.461 0.000) 0.461 14.625 ( 0.000 -0.446 0.000) 0.446 14.941 ( 0.000 -6.489 0.000) 6.489 15.207 ( 0.000 -7.696 0.000) 7.696 15.463 ( 0.000 -1.712 0.000) 1.712 15.614 ( 0.000 6.361 0.000) 6.361 16.333 ( 0.000 1.846 0.000) 1.846 16.519 ( 0.000 -2.888 0.000) 2.888 16.568 ( 0.000 4.050 0.000) 4.050 16.925 ( 0.000 -2.004 0.000) 2.004 17.496 ( 0.000 3.071 0.000) 3.071 17.701 ( 0.000 -2.792 0.000) 2.792 18.328 ( 0.000 2.086 0.000) 2.086 18.418 ( 0.000 3.037 0.000) 3.037 ======================= Grid point 22 (14/108) ======================= q-point: ( 0.14 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 5.828 17.601 17.859) 25.743 1.184 ( -0.851 16.382 2.026) 16.529 1.496 ( 3.049 8.484 0.022) 9.016 1.806 ( 1.889 1.990 -2.324) 3.596 1.944 ( 4.663 4.097 -4.076) 7.426 1.984 ( -0.577 3.123 -3.744) 4.910 2.125 ( 0.482 0.253 5.581) 5.608 2.205 ( 1.529 8.737 0.600) 8.890 2.292 ( 1.635 1.416 0.602) 2.245 2.467 ( -4.101 0.085 1.885) 4.514 2.511 ( 1.846 -7.876 -0.971) 8.148 2.598 ( 1.256 3.247 0.684) 3.548 2.690 ( 3.324 8.019 -1.042) 8.743 2.822 ( -0.718 2.958 -1.178) 3.264 2.976 ( 2.684 -3.129 0.278) 4.132 3.042 ( -3.373 3.116 0.888) 4.677 3.107 ( 0.567 -7.728 -7.952) 11.103 3.253 ( -2.537 1.859 -2.832) 4.233 3.298 ( 3.699 -5.746 5.832) 8.984 3.653 ( 3.020 -3.370 0.627) 4.568 4.114 ( -9.049 -4.009 -0.975) 9.946 4.287 ( -5.391 -2.696 -1.248) 6.156 4.387 ( -0.988 1.147 3.109) 3.458 4.435 ( -2.142 -7.987 -3.437) 8.955 4.585 ( 1.864 -1.738 -0.536) 2.605 4.763 ( -1.409 -2.013 -0.949) 2.634 4.842 ( -4.084 -6.331 -2.712) 8.007 4.916 ( -0.156 0.821 0.026) 0.836 4.949 ( 2.730 -0.385 2.426) 3.672 5.021 ( -0.338 -1.272 0.396) 1.374 5.075 ( 2.187 -1.431 -0.909) 2.767 5.129 ( 2.966 2.966 0.849) 4.279 5.257 ( -2.085 0.531 1.292) 2.509 5.321 ( -1.838 1.446 3.479) 4.192 5.437 ( -1.825 -9.433 1.564) 9.735 5.640 ( 0.507 -7.717 -0.916) 7.788 5.768 ( 0.096 -2.407 -1.604) 2.894 5.881 ( -0.715 -5.322 -1.480) 5.570 6.168 ( 2.711 1.583 0.169) 3.144 6.218 ( -1.776 1.306 2.081) 3.032 6.318 ( 5.187 -2.081 0.282) 5.596 6.518 ( 2.904 -2.989 0.276) 4.177 6.681 ( 1.273 2.508 1.360) 3.124 6.709 ( 2.307 2.343 0.489) 3.324 6.912 ( -0.954 1.212 -0.127) 1.548 7.037 ( -4.884 1.901 2.544) 5.825 7.172 ( 2.179 -2.442 -2.667) 4.222 7.321 ( 1.786 -1.918 2.195) 3.419 7.440 ( 1.705 3.123 1.063) 3.714 7.485 ( -3.041 0.692 -1.866) 3.635 7.596 ( 0.583 0.224 1.662) 1.776 7.752 ( 3.631 5.785 -3.059) 7.484 7.806 ( -0.189 -2.800 -1.661) 3.261 7.894 ( -0.298 -2.433 -4.070) 4.751 7.911 ( -0.295 1.953 -2.949) 3.549 8.074 ( 0.558 4.476 4.565) 6.418 8.157 ( -0.456 -6.101 2.527) 6.619 8.404 ( 0.198 -5.873 -0.534) 5.901 8.564 ( 0.714 3.129 1.268) 3.451 8.953 ( -4.506 0.436 -2.498) 5.170 9.211 ( 5.739 0.566 2.390) 6.243 9.404 ( 2.075 -10.780 1.497) 11.079 9.734 ( -3.658 4.045 -0.799) 5.512 10.035 ( -1.629 -0.403 2.788) 3.255 10.516 ( -1.191 2.377 1.952) 3.298 10.694 ( -0.007 -1.048 -10.120) 10.174 10.773 ( -2.385 -5.542 -1.029) 6.120 10.813 ( 0.082 -1.611 -0.226) 1.629 11.197 ( 1.964 -1.084 6.857) 7.215 11.238 ( 1.850 -2.170 2.520) 3.805 12.060 ( -2.019 4.051 -7.589) 8.837 12.198 ( -0.917 2.021 -0.054) 2.220 12.247 ( 1.163 2.442 0.987) 2.879 12.411 ( -1.176 1.524 -4.001) 4.440 12.573 ( -4.135 2.819 -5.873) 7.716 12.624 ( 1.433 1.613 1.120) 2.431 13.082 ( 3.538 2.245 2.788) 5.033 13.129 ( 2.675 0.956 0.718) 2.930 13.520 ( -1.795 3.408 7.268) 8.225 13.750 ( -1.949 -1.094 1.571) 2.732 14.047 ( 1.978 -0.200 0.446) 2.038 14.096 ( 1.640 -2.678 -1.816) 3.627 14.450 ( -3.037 -0.707 0.949) 3.259 14.673 ( 4.212 0.218 1.565) 4.499 14.908 ( -3.716 -7.930 -1.131) 8.831 15.180 ( -1.896 -8.161 -2.229) 8.669 15.415 ( -4.455 2.375 -0.360) 5.061 15.570 ( -5.350 4.223 0.973) 6.886 16.327 ( -0.577 2.124 -0.101) 2.203 16.549 ( 2.159 -3.087 2.716) 4.644 16.569 ( 0.321 4.057 -0.482) 4.098 16.935 ( 0.902 -1.928 0.377) 2.162 17.487 ( -0.148 2.561 -1.950) 3.222 17.679 ( -1.659 -3.286 -2.412) 4.401 18.323 ( -0.752 2.715 1.123) 3.033 18.418 ( -0.767 2.880 1.475) 3.326 ======================= Grid point 23 (15/108) ======================= q-point: ( 0.29 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 1.833 14.512 6.400) 15.966 1.267 ( 5.970 11.947 16.179) 20.979 1.550 ( 2.107 10.708 0.702) 10.935 1.794 ( -0.661 -0.092 -3.843) 3.900 1.931 ( 0.504 3.798 -4.760) 6.110 2.045 ( 3.668 -0.481 0.577) 3.744 2.165 ( 3.925 4.247 1.354) 5.939 2.272 ( 4.284 6.597 0.789) 7.905 2.337 ( 1.685 3.100 0.636) 3.585 2.385 ( -5.308 1.814 1.292) 5.757 2.533 ( -0.323 -5.325 1.180) 5.464 2.621 ( 0.783 4.873 -2.542) 5.552 2.760 ( 1.613 -0.028 -2.696) 3.142 2.791 ( 3.497 4.362 -2.333) 6.058 2.973 ( -3.699 1.228 0.033) 3.897 3.008 ( 0.216 1.275 2.560) 2.868 3.137 ( 2.620 -2.097 -2.046) 3.931 3.200 ( 1.986 -1.928 -3.694) 4.616 3.401 ( 4.881 -3.937 2.700) 6.827 3.718 ( 3.169 -2.361 -2.069) 4.461 3.956 ( -7.901 -6.508 2.967) 10.658 4.161 ( -6.982 -0.451 -0.773) 7.039 4.322 ( -6.501 -11.540 -2.823) 13.543 4.374 ( -2.107 -9.107 -1.276) 9.435 4.620 ( 0.452 -1.519 0.729) 1.744 4.708 ( -2.001 -1.010 -1.924) 2.954 4.762 ( -1.896 -2.592 -2.029) 3.799 4.902 ( -2.327 2.248 0.740) 3.319 4.966 ( -0.452 -2.742 0.935) 2.932 5.066 ( 3.540 -0.618 1.570) 3.922 5.119 ( 3.228 -0.074 -0.695) 3.302 5.193 ( 0.354 2.339 2.357) 3.339 5.212 ( -2.802 1.363 0.239) 3.125 5.307 ( -0.927 2.190 3.173) 3.966 5.407 ( -2.359 -6.057 0.598) 6.528 5.629 ( -0.576 -4.662 -1.203) 4.849 5.770 ( 1.426 -5.022 -1.764) 5.510 5.902 ( 2.928 -7.029 0.600) 7.638 6.174 ( -1.985 -2.198 1.223) 3.204 6.204 ( -0.312 -0.189 -0.779) 0.860 6.417 ( 4.826 -1.519 -1.217) 5.204 6.603 ( 5.270 1.127 -0.304) 5.398 6.707 ( -0.946 4.190 3.745) 5.698 6.759 ( 4.064 2.357 1.303) 4.875 6.905 ( -0.756 -0.888 0.675) 1.347 7.015 ( 1.443 0.587 3.488) 3.820 7.176 ( 0.244 -3.617 -2.022) 4.151 7.333 ( -2.686 -1.663 1.404) 3.457 7.413 ( -3.404 2.133 -0.444) 4.042 7.507 ( 4.189 1.645 1.926) 4.896 7.596 ( -0.675 -0.629 -0.891) 1.283 7.748 ( -0.657 -0.664 -2.126) 2.322 7.827 ( 0.730 -3.067 -3.761) 4.908 7.853 ( -1.183 0.234 -3.670) 3.863 7.929 ( 4.038 -1.200 -0.881) 4.304 8.071 ( -0.634 5.638 0.127) 5.675 8.171 ( -0.044 -3.544 2.131) 4.136 8.437 ( 1.944 -4.807 1.031) 5.287 8.556 ( -1.803 0.984 0.498) 2.113 8.886 ( -2.893 0.473 1.891) 3.488 9.303 ( 5.009 -1.988 -2.450) 5.920 9.497 ( 5.910 -6.342 3.763) 9.450 9.638 ( -5.988 5.158 -1.087) 7.977 10.011 ( -3.574 -0.940 3.639) 5.187 10.505 ( -1.337 1.637 2.144) 3.010 10.640 ( 1.351 0.007 -9.618) 9.713 10.709 ( -2.987 -4.945 -1.566) 5.986 10.811 ( -0.447 -3.869 -0.152) 3.898 11.254 ( 1.182 -0.045 2.298) 2.585 11.320 ( 2.702 1.430 7.281) 7.897 11.984 ( -0.886 4.476 -6.382) 7.845 12.136 ( -3.398 3.259 -5.554) 7.281 12.273 ( 0.284 1.061 0.956) 1.456 12.370 ( -0.487 2.313 -2.855) 3.706 12.489 ( -1.208 2.489 -3.455) 4.426 12.649 ( 0.500 0.345 0.733) 0.952 13.145 ( 3.411 1.190 -0.763) 3.692 13.218 ( 4.871 2.351 2.109) 5.806 13.523 ( -3.841 4.259 8.765) 10.475 13.715 ( -3.082 -0.213 1.837) 3.594 14.097 ( 2.845 -1.680 -0.205) 3.310 14.126 ( 3.312 -2.699 -1.480) 4.521 14.406 ( -2.706 -2.639 2.744) 4.671 14.768 ( -3.590 -5.211 -1.742) 6.564 14.797 ( 1.964 -4.042 -0.362) 4.508 15.137 ( -0.732 -4.270 -2.167) 4.844 15.318 ( -6.978 3.728 1.325) 8.021 15.449 ( -7.466 2.185 0.135) 7.780 16.314 ( -0.778 2.685 -0.149) 2.800 16.569 ( 0.348 4.527 -0.747) 4.601 16.621 ( 2.934 -3.986 3.594) 6.116 16.956 ( 1.038 -1.697 0.367) 2.023 17.476 ( 0.107 1.053 -0.698) 1.268 17.616 ( -2.461 -3.829 -4.917) 6.700 18.324 ( -0.314 3.516 2.408) 4.273 18.405 ( -1.599 2.938 0.923) 3.470 ======================= Grid point 24 (16/108) ======================= q-point: ( 0.43 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.032 9.351 1.433) 9.461 1.472 ( 5.457 12.891 4.766) 14.788 1.583 ( 0.026 9.319 5.830) 10.993 1.735 ( -2.373 1.643 -2.185) 3.620 1.934 ( -0.018 5.289 -2.166) 5.715 2.108 ( 5.551 2.381 1.614) 6.252 2.244 ( -5.837 0.656 -1.945) 6.187 2.271 ( 3.978 4.582 -0.674) 6.105 2.361 ( 2.031 3.783 2.468) 4.952 2.389 ( 2.923 0.288 0.302) 2.953 2.491 ( -4.548 -0.073 -1.206) 4.706 2.569 ( -1.636 -0.184 -3.130) 3.537 2.795 ( 4.171 4.569 0.137) 6.188 2.875 ( 3.152 0.749 -0.514) 3.281 2.898 ( -4.072 5.377 -0.018) 6.745 3.018 ( -1.000 0.184 1.029) 1.447 3.140 ( 0.987 -1.095 -0.302) 1.506 3.271 ( 3.577 -3.262 -0.784) 4.904 3.523 ( 7.110 -2.874 1.343) 7.786 3.682 ( -4.670 -2.236 -2.938) 5.952 3.884 ( -3.201 -1.364 1.912) 3.971 4.089 ( -0.406 -6.487 1.214) 6.612 4.200 ( -3.479 -14.953 -2.803) 15.606 4.314 ( -3.409 -17.895 -0.195) 18.218 4.579 ( -2.270 2.491 -0.270) 3.381 4.718 ( 0.622 -1.850 0.191) 1.961 4.758 ( 3.553 1.663 -2.269) 4.532 4.841 ( -4.672 1.780 1.451) 5.206 4.984 ( 1.044 -2.397 0.943) 2.779 5.129 ( 2.159 3.060 0.264) 3.754 5.157 ( 0.243 0.909 -1.497) 1.768 5.167 ( -0.563 2.581 0.360) 2.666 5.176 ( -2.039 -2.555 2.253) 3.970 5.334 ( 1.115 0.846 1.218) 1.855 5.364 ( -1.999 -2.010 -0.616) 2.901 5.618 ( -0.092 -4.067 -0.224) 4.074 5.788 ( 1.183 -6.567 -0.890) 6.732 5.956 ( 1.696 -7.242 0.616) 7.463 6.146 ( -1.187 -3.350 0.782) 3.639 6.192 ( -0.312 -1.588 -0.717) 1.770 6.457 ( 1.114 -2.025 -1.463) 2.735 6.657 ( 0.939 0.629 -0.588) 1.274 6.716 ( 0.399 8.219 1.772) 8.417 6.860 ( 3.732 2.435 2.143) 4.944 6.895 ( -0.644 -1.996 0.723) 2.218 7.106 ( 4.679 -1.094 0.386) 4.821 7.170 ( -0.018 -3.332 3.622) 4.922 7.268 ( -2.945 -0.536 -4.397) 5.319 7.347 ( -3.691 3.337 1.016) 5.079 7.565 ( -0.207 -0.584 0.710) 0.942 7.615 ( 4.013 -1.669 1.199) 4.508 7.714 ( -2.250 -2.549 -2.897) 4.466 7.763 ( -1.987 -3.095 -1.162) 3.857 7.827 ( -1.012 -2.443 -1.622) 3.103 7.996 ( 2.603 -3.120 0.091) 4.064 8.081 ( 0.806 5.330 -0.181) 5.393 8.198 ( 2.119 4.075 0.741) 4.652 8.410 ( -3.588 -7.470 -1.044) 8.352 8.569 ( 1.896 0.677 0.570) 2.092 8.858 ( -1.875 -1.702 2.248) 3.386 9.383 ( 5.696 -2.096 -2.116) 6.427 9.518 ( -6.244 5.041 0.003) 8.025 9.621 ( 4.288 -2.349 1.484) 5.110 9.962 ( -2.987 -1.550 1.760) 3.798 10.499 ( -0.489 0.691 0.862) 1.208 10.622 ( 2.150 -2.578 -5.781) 6.685 10.656 ( -2.757 -1.743 1.616) 3.640 10.802 ( -0.233 -4.132 -0.306) 4.150 11.277 ( 0.404 2.758 0.487) 2.830 11.394 ( 1.105 2.081 3.460) 4.186 11.965 ( 1.651 4.164 -0.628) 4.524 12.031 ( -3.611 3.777 -5.078) 7.286 12.272 ( -0.287 1.094 -0.010) 1.131 12.359 ( 0.147 2.259 -0.508) 2.321 12.471 ( 0.191 1.368 -0.951) 1.677 12.654 ( -0.036 -0.215 0.141) 0.260 13.198 ( 2.562 1.976 -0.922) 3.364 13.291 ( 1.630 1.396 0.815) 2.296 13.509 ( -1.728 6.309 3.977) 7.656 13.672 ( -2.131 0.245 0.821) 2.297 14.128 ( 1.115 -3.274 -0.777) 3.545 14.188 ( 2.749 -3.352 0.057) 4.335 14.409 ( 1.197 -4.442 3.428) 5.737 14.585 ( -7.732 -8.314 -4.218) 12.112 14.945 ( 8.730 1.375 1.115) 8.908 15.123 ( -1.400 1.650 0.411) 2.202 15.172 ( -7.740 0.223 -1.069) 7.817 15.353 ( -2.895 0.207 0.357) 2.924 16.302 ( -0.362 3.081 -0.077) 3.104 16.570 ( 0.145 4.773 -0.332) 4.787 16.682 ( 1.397 -4.596 1.651) 5.079 16.972 ( 0.440 -1.417 0.115) 1.489 17.489 ( 0.780 -1.054 2.650) 2.956 17.540 ( -1.889 -3.205 -5.195) 6.390 18.343 ( 0.730 3.658 2.150) 4.306 18.376 ( -1.595 3.320 -0.666) 3.743 ======================= Grid point 28 (17/108) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.000 22.028 0.000) 22.028 1.460 ( 0.000 11.414 0.000) 11.414 1.620 ( 0.000 4.789 0.000) 4.789 1.861 ( 0.000 3.337 0.000) 3.337 1.928 ( 0.000 0.871 0.000) 0.871 2.015 ( 0.000 -7.514 0.000) 7.514 2.105 ( 0.000 1.817 0.000) 1.817 2.179 ( 0.000 -4.413 0.000) 4.413 2.294 ( 0.000 -4.709 0.000) 4.709 2.388 ( 0.000 -8.090 0.000) 8.090 2.489 ( 0.000 9.159 0.000) 9.159 2.605 ( 0.000 4.449 0.000) 4.449 2.760 ( 0.000 -2.000 0.000) 2.000 2.956 ( 0.000 5.066 0.000) 5.066 2.963 ( 0.000 -4.475 0.000) 4.475 3.081 ( 0.000 7.314 0.000) 7.314 3.110 ( 0.000 -0.004 0.000) 0.004 3.176 ( 0.000 5.154 0.000) 5.154 3.312 ( 0.000 0.088 0.000) 0.088 3.522 ( 0.000 -9.487 0.000) 9.487 4.097 ( 0.000 -0.320 0.000) 0.320 4.314 ( 0.000 -7.342 0.000) 7.342 4.341 ( 0.000 1.015 0.000) 1.015 4.458 ( 0.000 -3.452 0.000) 3.452 4.625 ( 0.000 8.945 0.000) 8.945 4.714 ( 0.000 -3.090 0.000) 3.090 4.770 ( 0.000 -4.025 0.000) 4.025 4.907 ( 0.000 0.151 0.000) 0.151 4.946 ( 0.000 2.329 0.000) 2.329 5.011 ( 0.000 -0.763 0.000) 0.763 5.088 ( 0.000 -2.868 0.000) 2.868 5.103 ( 0.000 4.125 0.000) 4.125 5.238 ( 0.000 -8.940 0.000) 8.940 5.272 ( 0.000 -0.044 0.000) 0.044 5.374 ( 0.000 1.328 0.000) 1.328 5.455 ( 0.000 -7.105 0.000) 7.105 5.757 ( 0.000 -0.960 0.000) 0.960 5.816 ( 0.000 -4.346 0.000) 4.346 6.189 ( 0.000 2.675 0.000) 2.675 6.213 ( 0.000 -0.553 0.000) 0.553 6.272 ( 0.000 1.117 0.000) 1.117 6.391 ( 0.000 -5.564 0.000) 5.564 6.743 ( 0.000 5.131 0.000) 5.131 6.744 ( 0.000 4.676 0.000) 4.676 6.947 ( 0.000 -1.443 0.000) 1.443 7.010 ( 0.000 -7.172 0.000) 7.172 7.195 ( 0.000 3.027 0.000) 3.027 7.269 ( 0.000 -1.206 0.000) 1.206 7.452 ( 0.000 0.903 0.000) 0.903 7.479 ( 0.000 -0.745 0.000) 0.745 7.658 ( 0.000 4.389 0.000) 4.389 7.794 ( 0.000 -1.140 0.000) 1.140 7.835 ( 0.000 2.499 0.000) 2.499 7.852 ( 0.000 -2.467 0.000) 2.467 7.943 ( 0.000 -2.014 0.000) 2.014 8.026 ( 0.000 -3.983 0.000) 3.983 8.121 ( 0.000 5.046 0.000) 5.046 8.310 ( 0.000 -4.737 0.000) 4.737 8.652 ( 0.000 7.055 0.000) 7.055 8.999 ( 0.000 -7.703 0.000) 7.703 9.112 ( 0.000 1.894 0.000) 1.894 9.220 ( 0.000 -4.744 0.000) 4.744 9.849 ( 0.000 4.559 0.000) 4.559 10.016 ( 0.000 -2.528 0.000) 2.528 10.550 ( 0.000 0.782 0.000) 0.782 10.629 ( 0.000 -5.077 0.000) 5.077 10.781 ( 0.000 1.472 0.000) 1.472 10.829 ( 0.000 -0.257 0.000) 0.257 11.120 ( 0.000 -1.035 0.000) 1.035 11.143 ( 0.000 -2.748 0.000) 2.748 12.179 ( 0.000 2.007 0.000) 2.007 12.197 ( 0.000 0.627 0.000) 0.627 12.309 ( 0.000 3.506 0.000) 3.506 12.428 ( 0.000 -1.997 0.000) 1.997 12.647 ( 0.000 2.286 0.000) 2.286 12.681 ( 0.000 0.985 0.000) 0.985 13.094 ( 0.000 2.939 0.000) 2.939 13.117 ( 0.000 1.003 0.000) 1.003 13.568 ( 0.000 2.782 0.000) 2.782 13.705 ( 0.000 -3.865 0.000) 3.865 14.039 ( 0.000 0.624 0.000) 0.624 14.058 ( 0.000 -0.746 0.000) 0.746 14.533 ( 0.000 5.009 0.000) 5.009 14.638 ( 0.000 1.674 0.000) 1.674 14.816 ( 0.000 -5.953 0.000) 5.953 14.930 ( 0.000 -14.211 0.000) 14.211 15.593 ( 0.000 8.160 0.000) 8.160 15.711 ( 0.000 2.874 0.000) 2.874 16.368 ( 0.000 1.805 0.000) 1.805 16.460 ( 0.000 -2.976 0.000) 2.976 16.660 ( 0.000 5.273 0.000) 5.273 16.863 ( 0.000 -4.280 0.000) 4.280 17.551 ( 0.000 2.624 0.000) 2.624 17.648 ( 0.000 -2.575 0.000) 2.575 18.382 ( 0.000 3.064 0.000) 3.064 18.452 ( 0.000 0.362 0.000) 0.362 ======================= Grid point 29 (18/108) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 3.398 19.288 10.191) 22.078 1.471 ( 0.559 13.137 1.642) 13.251 1.652 ( 3.345 4.932 0.208) 5.963 1.838 ( -0.799 1.589 -1.384) 2.254 1.946 ( 1.104 -1.965 -1.700) 2.823 2.023 ( 2.878 -0.953 -4.319) 5.277 2.113 ( -0.368 -0.051 4.107) 4.123 2.233 ( 5.406 -4.720 0.110) 7.178 2.286 ( -0.630 -4.445 1.718) 4.807 2.420 ( 3.320 -3.398 -1.284) 4.921 2.519 ( 1.096 7.584 2.940) 8.208 2.610 ( 2.469 2.322 -1.853) 3.863 2.770 ( 0.814 -0.575 -1.674) 1.948 2.900 ( -3.154 2.540 -1.823) 4.441 2.960 ( 0.125 -1.982 -2.333) 3.064 3.078 ( -1.799 1.333 0.907) 2.416 3.102 ( 3.496 6.646 -6.362) 9.842 3.245 ( -0.273 0.432 4.489) 4.518 3.279 ( -0.427 1.431 2.850) 3.218 3.544 ( 1.776 -9.382 2.748) 9.936 4.015 ( -7.196 -0.099 -4.130) 8.297 4.248 ( -5.502 -7.094 -3.389) 9.596 4.305 ( -4.348 -0.368 -1.112) 4.503 4.394 ( -7.172 -3.108 0.103) 7.817 4.613 ( -0.840 3.789 2.132) 4.428 4.698 ( -1.854 -3.388 -0.513) 3.896 4.749 ( -0.407 -0.757 -1.098) 1.394 4.923 ( 1.391 -1.066 -0.493) 1.820 4.971 ( 1.008 0.347 2.613) 2.822 4.997 ( -1.422 0.659 -0.234) 1.584 5.077 ( 1.227 0.287 -0.249) 1.284 5.180 ( 5.306 2.439 -1.165) 5.955 5.238 ( -0.627 -5.315 1.041) 5.452 5.291 ( 1.705 -2.422 1.602) 3.367 5.360 ( -2.248 2.381 4.016) 5.182 5.493 ( 3.046 -6.502 -0.230) 7.184 5.726 ( -1.821 -1.692 -2.170) 3.300 5.780 ( -2.012 -4.597 -1.429) 5.218 6.197 ( 0.195 1.641 -0.487) 1.723 6.240 ( -3.030 0.669 0.762) 3.195 6.301 ( 6.213 0.499 2.272) 6.634 6.434 ( 5.302 -5.207 0.860) 7.481 6.754 ( 1.889 4.612 0.688) 5.031 6.766 ( 0.008 3.484 2.396) 4.229 6.923 ( -1.672 -0.545 -0.737) 1.906 6.998 ( -1.908 -5.145 2.937) 6.224 7.182 ( 0.193 2.649 -2.818) 3.872 7.279 ( 0.427 -2.419 0.945) 2.632 7.480 ( 2.434 1.252 -0.032) 2.737 7.493 ( 0.484 0.288 -1.239) 1.361 7.639 ( -1.960 3.886 3.168) 5.383 7.757 ( -2.460 -1.374 -2.584) 3.823 7.805 ( -1.710 -0.978 -0.152) 1.975 7.862 ( 1.353 -1.959 -4.690) 5.260 7.941 ( 1.541 1.450 -5.085) 5.508 8.022 ( -0.182 -5.764 1.323) 5.917 8.161 ( 1.384 4.357 2.194) 5.071 8.311 ( 1.598 -3.818 -0.126) 4.141 8.664 ( -0.582 6.774 2.350) 7.193 8.938 ( -5.060 -3.182 2.548) 6.498 9.209 ( 5.883 -1.073 1.923) 6.281 9.227 ( 2.893 -5.730 -0.640) 6.450 9.825 ( -2.522 5.170 -0.447) 5.769 10.006 ( -1.948 -2.827 2.083) 4.016 10.550 ( -1.387 1.225 3.145) 3.649 10.630 ( 0.124 -4.141 -0.024) 4.143 10.728 ( -1.801 0.327 -9.191) 9.372 10.783 ( -0.638 -1.702 -7.686) 7.898 11.178 ( 2.750 -0.358 6.471) 7.040 11.209 ( 3.649 -1.238 7.754) 8.658 12.135 ( -1.360 3.416 -5.578) 6.681 12.213 ( 0.090 -0.332 -0.576) 0.671 12.305 ( 0.011 3.310 -0.776) 3.400 12.413 ( -0.252 -1.330 -3.746) 3.983 12.616 ( -3.622 1.747 -3.589) 5.390 12.643 ( -0.914 0.424 -0.781) 1.275 13.123 ( 2.564 2.096 0.036) 3.312 13.157 ( 3.666 1.178 1.734) 4.223 13.581 ( -1.016 2.971 6.116) 6.875 13.704 ( -1.431 -3.111 3.492) 4.891 14.056 ( 1.899 0.535 0.002) 1.973 14.068 ( 1.520 -0.546 -1.413) 2.146 14.478 ( -4.466 3.619 -0.517) 5.771 14.693 ( 3.877 0.636 0.769) 4.003 14.751 ( -5.068 -6.406 -1.560) 8.316 14.957 ( 2.762 -10.717 -1.048) 11.117 15.543 ( -5.987 7.059 1.533) 9.382 15.648 ( -6.925 2.429 0.591) 7.362 16.370 ( 0.021 2.270 0.356) 2.298 16.482 ( 1.604 -3.472 2.019) 4.325 16.664 ( 0.433 5.427 -0.240) 5.449 16.872 ( 0.841 -4.378 0.401) 4.476 17.534 ( -0.652 2.300 -2.820) 3.697 17.621 ( -1.670 -2.530 -3.157) 4.377 18.384 ( -0.304 3.255 1.619) 3.648 18.453 ( -0.571 0.524 1.411) 1.610 ======================= Grid point 30 (19/108) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -0.061 14.009 3.356) 14.406 1.536 ( 4.187 14.342 9.093) 17.490 1.727 ( 2.850 4.538 2.779) 6.036 1.826 ( 0.655 2.648 -2.579) 3.753 1.949 ( 1.141 -2.440 -0.056) 2.694 2.042 ( 3.032 1.870 -4.794) 5.973 2.186 ( 4.254 -2.019 6.445) 7.982 2.265 ( -1.684 -4.982 0.113) 5.260 2.360 ( 6.477 -0.198 -1.201) 6.590 2.455 ( 0.497 2.702 1.369) 3.069 2.542 ( -0.156 6.652 -0.426) 6.667 2.690 ( 7.964 -2.472 -3.630) 9.095 2.731 ( -2.796 1.885 -5.249) 6.239 2.868 ( 0.664 4.737 2.800) 5.543 2.975 ( 2.067 0.067 -0.158) 2.074 3.043 ( -2.414 0.637 1.654) 2.995 3.129 ( 2.743 0.100 -5.143) 5.830 3.168 ( -3.559 -1.993 -2.620) 4.848 3.380 ( 3.987 1.614 6.198) 7.544 3.632 ( 5.571 -9.476 4.155) 11.752 3.824 ( -9.853 -0.498 -4.487) 10.838 4.092 ( -7.916 -10.464 -5.753) 14.327 4.165 ( -10.001 -1.127 -0.702) 10.089 4.227 ( -10.829 -5.817 -0.088) 12.293 4.619 ( 0.033 0.674 1.735) 1.861 4.675 ( 0.162 -2.022 -0.439) 2.075 4.768 ( 2.650 3.900 -0.567) 4.749 4.939 ( -1.507 0.700 -0.351) 1.698 4.946 ( -1.490 0.115 0.132) 1.501 5.018 ( 2.681 -3.927 1.962) 5.144 5.114 ( 2.861 0.430 -0.841) 3.013 5.212 ( -0.990 -1.723 1.612) 2.559 5.256 ( -0.794 2.485 1.564) 3.042 5.329 ( 1.828 -1.247 -0.051) 2.214 5.352 ( -0.787 2.836 2.409) 3.803 5.534 ( 1.746 -5.124 -0.468) 5.434 5.687 ( -0.345 -2.658 -2.318) 3.543 5.774 ( 1.780 -5.844 0.455) 6.126 6.155 ( -3.975 0.254 1.430) 4.232 6.195 ( -2.605 -0.864 -0.538) 2.797 6.412 ( 5.093 1.389 -1.350) 5.449 6.564 ( 6.333 -4.473 0.230) 7.757 6.774 ( 0.046 1.981 2.930) 3.537 6.813 ( 2.348 2.222 4.543) 5.576 6.908 ( 0.749 2.221 0.195) 2.352 7.011 ( 1.539 -2.005 4.254) 4.948 7.169 ( 0.219 3.014 -3.462) 4.595 7.287 ( -0.262 -2.842 0.233) 2.864 7.446 ( -3.417 1.849 -0.474) 3.914 7.531 ( 2.044 -0.073 0.509) 2.107 7.620 ( -2.426 2.965 0.376) 3.850 7.715 ( -0.485 -1.604 -2.578) 3.075 7.767 ( -1.309 -2.392 -2.972) 4.034 7.840 ( -2.759 -2.446 -1.298) 3.909 7.926 ( 1.913 0.558 -3.702) 4.204 8.043 ( 1.574 -7.457 -0.908) 7.675 8.196 ( 3.016 6.465 0.532) 7.153 8.369 ( 3.387 -2.664 0.234) 4.315 8.633 ( -3.979 6.073 1.780) 7.476 8.872 ( -5.123 -2.946 3.991) 7.131 9.267 ( 4.818 -0.800 -0.833) 4.955 9.380 ( 7.979 -5.286 3.652) 10.244 9.758 ( -4.211 6.544 -1.065) 7.854 9.969 ( -3.774 -3.398 2.432) 5.631 10.534 ( -2.352 1.390 2.486) 3.694 10.619 ( -3.181 -3.599 -0.659) 4.848 10.648 ( 1.921 0.663 -8.413) 8.655 10.739 ( 0.699 -3.488 -5.719) 6.735 11.273 ( 2.836 1.726 6.002) 6.859 11.332 ( 3.606 -0.302 7.871) 8.663 12.072 ( -1.030 4.425 -5.935) 7.474 12.173 ( -2.412 0.278 -5.115) 5.662 12.304 ( 0.211 2.172 -0.573) 2.256 12.384 ( 0.160 -0.792 -3.890) 3.973 12.534 ( -2.314 2.314 -2.863) 4.348 12.628 ( -0.899 -2.141 0.503) 2.376 13.180 ( 3.851 2.253 -0.566) 4.497 13.243 ( 4.210 0.068 1.041) 4.337 13.599 ( -2.081 3.459 7.564) 8.574 13.694 ( -2.557 -1.649 4.277) 5.249 14.090 ( 2.171 0.262 -2.201) 3.103 14.102 ( 3.125 -0.040 -0.310) 3.140 14.395 ( -4.362 1.543 0.815) 4.698 14.596 ( -7.894 -8.216 -3.104) 11.809 14.817 ( 7.380 2.517 0.966) 7.857 15.011 ( 4.276 -7.038 -1.348) 8.345 15.408 ( -10.157 4.656 1.986) 11.348 15.493 ( -10.089 1.138 1.021) 10.204 16.372 ( -0.045 3.359 0.434) 3.387 16.534 ( 2.102 -4.671 2.640) 5.763 16.670 ( 0.440 5.664 -0.291) 5.688 16.892 ( 0.853 -4.698 0.493) 4.800 17.502 ( -0.657 1.462 -2.684) 3.126 17.560 ( -1.988 -2.012 -4.696) 5.482 18.393 ( -0.086 3.332 2.213) 4.001 18.447 ( -1.152 1.101 1.347) 2.086 ======================= Grid point 31 (20/108) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -0.981 13.914 0.147) 13.949 1.678 ( 5.497 7.979 3.518) 10.308 1.750 ( -2.130 4.153 2.760) 5.423 1.810 ( -1.009 4.918 -1.823) 5.341 2.011 ( 3.075 2.383 2.829) 4.810 2.100 ( 5.841 -0.566 -1.958) 6.187 2.203 ( -5.283 -3.912 1.495) 6.742 2.290 ( 2.332 -3.386 2.356) 4.739 2.419 ( 1.656 3.790 -2.286) 4.725 2.482 ( -1.527 1.121 -3.446) 3.933 2.505 ( 2.338 8.781 1.707) 9.246 2.640 ( -3.829 5.836 -2.570) 7.439 2.823 ( 7.793 -2.675 -3.243) 8.855 2.926 ( 0.800 6.297 4.462) 7.759 2.986 ( -0.935 3.345 0.086) 3.474 3.033 ( -1.373 0.487 2.700) 3.068 3.103 ( 0.913 -3.718 -2.493) 4.569 3.150 ( 0.371 -7.568 -2.172) 7.883 3.497 ( 5.939 -0.287 2.647) 6.508 3.640 ( -7.499 -1.359 -2.461) 8.008 3.782 ( 7.933 -8.728 2.982) 12.166 3.931 ( -5.967 -11.070 -3.589) 13.078 3.992 ( -6.312 -4.125 -0.258) 7.545 4.034 ( -9.016 -8.560 -0.943) 12.468 4.635 ( 0.542 2.033 0.630) 2.197 4.683 ( 0.462 -1.535 0.017) 1.604 4.811 ( 1.982 4.599 -0.915) 5.091 4.887 ( -2.022 1.454 0.016) 2.491 4.952 ( 0.317 -0.554 1.063) 1.240 5.080 ( 2.031 -4.419 0.911) 4.948 5.150 ( 1.362 0.342 -0.981) 1.713 5.189 ( -1.689 0.596 0.609) 1.891 5.234 ( -1.154 1.280 0.930) 1.958 5.340 ( -0.519 -1.600 1.530) 2.274 5.356 ( 0.209 3.547 -1.180) 3.744 5.553 ( 0.450 -2.998 0.043) 3.031 5.688 ( 1.099 -2.769 -1.096) 3.174 5.816 ( 1.566 -6.804 0.507) 7.001 6.105 ( -1.977 -0.916 0.849) 2.338 6.146 ( -1.797 -2.661 -0.341) 3.229 6.457 ( 1.411 2.022 -1.606) 2.943 6.618 ( 0.696 -4.111 -0.294) 4.180 6.815 ( 1.391 0.877 1.574) 2.276 6.877 ( 2.238 -0.398 2.626) 3.473 6.936 ( 0.529 6.569 0.829) 6.643 7.123 ( 6.372 -1.301 6.211) 8.992 7.134 ( -1.384 3.058 -2.184) 4.004 7.257 ( -3.000 -1.092 -3.507) 4.742 7.396 ( -1.378 2.077 0.040) 2.493 7.558 ( 0.302 -4.942 -0.129) 4.953 7.581 ( -0.731 2.517 0.345) 2.643 7.675 ( -1.896 -0.052 -3.341) 3.842 7.730 ( -0.562 -0.755 -0.371) 1.012 7.783 ( -2.001 -2.372 -0.234) 3.112 7.958 ( 1.786 -1.085 -0.474) 2.143 8.054 ( 0.437 -6.785 -0.814) 6.847 8.284 ( 5.791 5.574 0.385) 8.048 8.381 ( -2.727 2.073 -0.943) 3.553 8.594 ( -0.423 2.512 0.860) 2.688 8.804 ( -3.705 -4.605 1.767) 6.169 9.361 ( 4.274 0.748 0.738) 4.401 9.511 ( 3.481 -4.736 1.397) 6.042 9.682 ( -2.382 7.159 -0.788) 7.586 9.912 ( -3.029 -3.752 0.910) 4.907 10.510 ( -1.017 0.633 0.541) 1.314 10.560 ( -1.098 -2.594 -2.249) 3.604 10.649 ( 0.636 0.312 -1.218) 1.409 10.728 ( 0.447 -3.441 -1.769) 3.895 11.341 ( 1.263 3.467 2.570) 4.497 11.418 ( 1.466 0.201 3.364) 3.675 12.041 ( 0.743 3.440 -1.490) 3.822 12.086 ( -2.804 1.669 -4.502) 5.561 12.302 ( -0.012 1.873 -0.369) 1.909 12.373 ( 0.358 -0.836 -1.308) 1.593 12.500 ( -0.478 2.016 -0.716) 2.192 12.618 ( -0.440 -3.109 0.256) 3.150 13.241 ( 2.721 2.309 -0.623) 3.623 13.301 ( 1.375 -0.325 0.441) 1.480 13.607 ( -0.671 3.521 3.263) 4.847 13.670 ( -2.140 -0.497 2.074) 3.021 14.110 ( 1.199 1.007 -1.378) 2.086 14.151 ( 1.885 -0.800 -0.262) 2.064 14.356 ( -0.423 -1.162 1.838) 2.216 14.447 ( -5.671 -5.708 -2.431) 8.406 14.973 ( 8.775 1.696 0.374) 8.945 15.086 ( 4.034 -3.649 -1.162) 5.562 15.223 ( -10.135 3.624 1.020) 10.812 15.339 ( -6.617 -1.676 0.961) 6.894 16.373 ( -0.042 4.274 0.186) 4.278 16.577 ( 0.978 -5.678 1.228) 5.891 16.674 ( 0.170 5.714 -0.123) 5.718 16.905 ( 0.301 -5.075 0.219) 5.089 17.485 ( -0.165 0.353 0.093) 0.401 17.504 ( -0.929 -0.834 -3.372) 3.595 18.409 ( 0.533 2.871 1.374) 3.227 18.430 ( -1.131 1.988 0.140) 2.291 ======================= Grid point 35 (21/108) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 -9.378 0.000) 9.378 1.589 ( 0.000 9.378 0.000) 9.378 1.678 ( 0.000 -15.676 0.000) 15.676 1.678 ( 0.000 15.676 0.000) 15.676 1.961 ( 0.000 -1.258 0.000) 1.258 1.961 ( 0.000 1.258 0.000) 1.258 2.171 ( 0.000 -3.820 0.000) 3.820 2.171 ( 0.000 3.820 0.000) 3.820 2.223 ( 0.000 -6.323 0.000) 6.323 2.223 ( 0.000 6.323 0.000) 6.323 2.655 ( 0.000 -7.751 0.000) 7.751 2.655 ( 0.000 7.751 0.000) 7.751 2.776 ( 0.000 -10.627 0.000) 10.627 2.776 ( 0.000 10.627 0.000) 10.627 3.061 ( 0.000 -3.791 0.000) 3.791 3.061 ( 0.000 3.791 0.000) 3.791 3.269 ( 0.000 -4.620 0.000) 4.620 3.269 ( 0.000 4.620 0.000) 4.620 3.313 ( 0.000 -8.486 0.000) 8.486 3.313 ( 0.000 8.486 0.000) 8.486 4.179 ( 0.000 -6.452 0.000) 6.452 4.179 ( 0.000 6.452 0.000) 6.452 4.381 ( 0.000 -3.355 0.000) 3.355 4.381 ( 0.000 3.355 0.000) 3.355 4.689 ( 0.000 -0.313 0.000) 0.313 4.689 ( 0.000 0.313 0.000) 0.313 4.835 ( 0.000 -7.331 0.000) 7.331 4.835 ( 0.000 7.331 0.000) 7.331 4.994 ( 0.000 -2.108 0.000) 2.108 4.994 ( 0.000 2.108 0.000) 2.108 5.088 ( 0.000 -4.588 0.000) 4.588 5.088 ( 0.000 4.588 0.000) 4.588 5.205 ( 0.000 -5.393 0.000) 5.393 5.205 ( 0.000 5.393 0.000) 5.393 5.395 ( 0.000 -0.762 0.000) 0.762 5.395 ( 0.000 0.762 0.000) 0.762 5.757 ( 0.000 -1.437 0.000) 1.437 5.757 ( 0.000 1.437 0.000) 1.437 6.218 ( 0.000 -0.150 0.000) 0.150 6.218 ( 0.000 0.150 0.000) 0.150 6.302 ( 0.000 -2.922 0.000) 2.922 6.302 ( 0.000 2.922 0.000) 2.922 6.834 ( 0.000 -0.366 0.000) 0.366 6.834 ( 0.000 0.366 0.000) 0.366 6.891 ( 0.000 -0.583 0.000) 0.583 6.891 ( 0.000 0.582 0.000) 0.582 7.239 ( 0.000 -1.817 0.000) 1.817 7.239 ( 0.000 1.817 0.000) 1.817 7.469 ( 0.000 -0.635 0.000) 0.635 7.469 ( 0.000 0.635 0.000) 0.635 7.749 ( 0.000 -4.126 0.000) 4.126 7.749 ( 0.000 4.126 0.000) 4.126 7.823 ( 0.000 -0.456 0.000) 0.456 7.823 ( 0.000 0.456 0.000) 0.456 7.964 ( 0.000 -2.665 0.000) 2.665 7.964 ( 0.000 2.665 0.000) 2.665 8.220 ( 0.000 -4.794 0.000) 4.794 8.220 ( 0.000 4.794 0.000) 4.794 8.816 ( 0.000 -9.581 0.000) 9.581 8.816 ( 0.000 9.581 0.000) 9.581 9.159 ( 0.000 -2.604 0.000) 2.604 9.159 ( 0.000 2.604 0.000) 2.604 9.942 ( 0.000 -4.681 0.000) 4.681 9.942 ( 0.000 4.681 0.000) 4.681 10.567 ( 0.000 -1.543 0.000) 1.543 10.567 ( 0.000 1.543 0.000) 1.543 10.812 ( 0.000 -1.424 0.000) 1.424 10.812 ( 0.000 1.424 0.000) 1.424 11.112 ( 0.000 -0.439 0.000) 0.439 11.112 ( 0.000 0.439 0.000) 0.439 12.201 ( 0.000 -0.299 0.000) 0.299 12.201 ( 0.000 0.299 0.000) 0.299 12.375 ( 0.000 -3.219 0.000) 3.219 12.375 ( 0.000 3.219 0.000) 3.219 12.681 ( 0.000 -1.033 0.000) 1.033 12.681 ( 0.000 1.033 0.000) 1.033 13.127 ( 0.000 -0.385 0.000) 0.385 13.127 ( 0.000 0.385 0.000) 0.385 13.629 ( 0.000 -3.622 0.000) 3.622 13.629 ( 0.000 3.622 0.000) 3.622 14.048 ( 0.000 -0.407 0.000) 0.407 14.048 ( 0.000 0.407 0.000) 0.407 14.654 ( 0.000 -4.380 0.000) 4.380 14.654 ( 0.000 4.380 0.000) 4.380 14.739 ( 0.000 -1.150 0.000) 1.150 14.739 ( 0.000 1.150 0.000) 1.150 15.709 ( 0.000 -3.226 0.000) 3.226 15.709 ( 0.000 3.226 0.000) 3.226 16.408 ( 0.000 -2.345 0.000) 2.345 16.408 ( 0.000 2.345 0.000) 2.345 16.766 ( 0.000 -5.410 0.000) 5.410 16.766 ( 0.000 5.410 0.000) 5.410 17.600 ( 0.000 -2.433 0.000) 2.433 17.600 ( 0.000 2.433 0.000) 2.433 18.435 ( 0.000 -2.026 0.000) 2.026 18.435 ( 0.000 2.026 0.000) 2.026 ======================= Grid point 37 (22/108) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 1.786 -8.778 -0.488) 8.971 1.605 ( 1.786 8.778 -0.488) 8.971 1.726 ( 1.993 -12.357 6.662) 14.179 1.726 ( 1.993 12.357 6.662) 14.179 1.952 ( 0.384 -3.567 -0.941) 3.709 1.952 ( 0.384 3.567 -0.941) 3.709 2.170 ( -0.736 -5.052 1.321) 5.273 2.170 ( -0.736 5.052 1.321) 5.273 2.287 ( 8.303 -7.566 -4.334) 12.040 2.287 ( 8.303 7.566 -4.334) 12.040 2.658 ( -1.112 -5.988 2.386) 6.541 2.658 ( -1.112 5.988 2.386) 6.541 2.782 ( 1.787 -7.957 -1.758) 8.342 2.782 ( 1.787 7.957 -1.758) 8.342 3.055 ( 0.027 -4.031 -1.269) 4.227 3.055 ( 0.027 4.031 -1.269) 4.227 3.209 ( -3.326 -4.714 -4.436) 7.278 3.209 ( -3.326 4.714 -4.436) 7.278 3.366 ( 1.781 -6.939 6.699) 9.808 3.366 ( 1.781 6.939 6.699) 9.808 4.101 ( -6.552 -6.893 -4.876) 10.687 4.101 ( -6.552 6.893 -4.876) 10.687 4.330 ( -6.375 -2.566 0.181) 6.875 4.330 ( -6.375 2.566 0.181) 6.875 4.651 ( -2.665 -1.371 0.335) 3.016 4.651 ( -2.665 1.371 0.335) 3.016 4.831 ( 0.912 -6.492 0.922) 6.621 4.831 ( 0.912 6.492 0.922) 6.621 5.002 ( -0.925 -1.882 -0.078) 2.098 5.002 ( -0.925 1.882 -0.078) 2.098 5.114 ( 1.680 -4.900 1.012) 5.278 5.114 ( 1.680 4.900 1.012) 5.278 5.246 ( 4.581 -3.394 -0.557) 5.729 5.246 ( 4.581 3.394 -0.557) 5.729 5.409 ( 0.365 -2.672 2.273) 3.527 5.409 ( 0.365 2.672 2.273) 3.527 5.718 ( -2.429 -1.360 -1.879) 3.359 5.718 ( -2.429 1.360 -1.879) 3.359 6.232 ( -1.349 -1.474 -0.445) 2.047 6.232 ( -1.349 1.474 -0.445) 2.047 6.341 ( 5.536 -3.685 2.145) 6.988 6.341 ( 5.536 3.685 2.145) 6.988 6.822 ( -1.788 -0.846 1.690) 2.601 6.822 ( -1.788 0.846 1.690) 2.601 6.909 ( 1.675 -2.084 1.075) 2.882 6.909 ( 1.675 2.084 1.075) 2.882 7.231 ( -0.039 -2.407 -1.043) 2.623 7.231 ( -0.039 2.407 -1.043) 2.623 7.495 ( 2.103 -0.259 -0.806) 2.267 7.495 ( 2.103 0.259 -0.806) 2.267 7.726 ( -2.247 -3.596 0.252) 4.248 7.726 ( -2.247 3.596 0.252) 4.248 7.795 ( -2.324 -2.070 0.730) 3.197 7.795 ( -2.324 2.070 0.730) 3.197 7.966 ( 1.269 -1.185 -5.406) 5.678 7.966 ( 1.269 1.185 -5.406) 5.678 8.240 ( 2.203 -3.747 0.830) 4.425 8.240 ( 2.203 3.747 0.830) 4.425 8.815 ( -2.294 -8.169 4.027) 9.392 8.815 ( -2.294 8.169 4.027) 9.392 9.188 ( 3.773 -0.842 -0.174) 3.870 9.188 ( 3.773 0.842 -0.174) 3.870 9.927 ( -2.048 -5.000 0.822) 5.465 9.927 ( -2.048 5.000 0.822) 5.465 10.574 ( -0.567 -1.695 2.927) 3.430 10.574 ( -0.567 1.695 2.927) 3.430 10.749 ( -1.351 -1.605 -10.723) 10.926 10.749 ( -1.351 1.605 -10.723) 10.926 11.186 ( 3.726 -1.023 8.173) 9.040 11.186 ( 3.726 1.023 8.173) 9.040 12.189 ( -0.379 -2.069 -2.926) 3.604 12.189 ( -0.379 2.069 -2.926) 3.604 12.368 ( -0.029 -2.962 -2.161) 3.667 12.368 ( -0.028 2.962 -2.161) 3.667 12.641 ( -2.776 -0.706 -2.519) 3.814 12.641 ( -2.776 0.706 -2.519) 3.814 13.158 ( 2.882 -1.128 0.520) 3.138 13.158 ( 2.882 1.128 0.520) 3.138 13.641 ( -0.747 -3.246 5.065) 6.062 13.641 ( -0.747 3.246 5.065) 6.062 14.062 ( 1.753 -0.218 -0.579) 1.859 14.062 ( 1.753 0.218 -0.579) 1.859 14.583 ( -5.492 -6.805 -1.614) 8.893 14.583 ( -5.492 6.805 -1.614) 8.893 14.793 ( 4.361 -6.114 0.406) 7.521 14.793 ( 4.361 6.114 0.406) 7.521 15.644 ( -7.319 -2.924 1.083) 7.956 15.644 ( -7.319 2.924 1.083) 7.956 16.419 ( 0.802 -2.898 1.160) 3.223 16.419 ( 0.802 2.898 1.160) 3.223 16.773 ( 0.631 -5.592 0.120) 5.629 16.773 ( 0.631 5.592 0.120) 5.629 17.577 ( -1.190 -2.138 -3.180) 4.012 17.577 ( -1.190 2.138 -3.180) 4.012 18.438 ( -0.260 -1.951 1.537) 2.497 18.438 ( -0.260 1.951 1.537) 2.497 ======================= Grid point 39 (23/108) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 1.046 -8.945 -0.729) 9.036 1.631 ( 1.046 8.945 -0.729) 9.036 1.795 ( 1.097 -6.612 5.227) 8.499 1.795 ( 1.096 6.612 5.227) 8.499 2.001 ( 4.762 -7.023 1.090) 8.555 2.001 ( 4.762 7.023 1.090) 8.555 2.163 ( -1.144 -3.959 2.866) 5.019 2.163 ( -1.144 3.959 2.866) 5.019 2.436 ( 10.405 -5.481 -5.017) 12.785 2.436 ( 10.405 5.481 -5.017) 12.785 2.625 ( -2.120 -4.463 -1.587) 5.189 2.625 ( -2.120 4.463 -1.587) 5.189 2.839 ( 3.789 -7.252 3.145) 8.766 2.839 ( 3.789 7.252 3.145) 8.766 3.045 ( -0.944 -3.487 -0.483) 3.645 3.045 ( -0.944 3.487 -0.483) 3.645 3.114 ( -3.263 -1.378 -4.722) 5.903 3.114 ( -3.263 1.378 -4.722) 5.903 3.454 ( 3.576 -6.322 5.659) 9.208 3.454 ( 3.576 6.322 5.659) 9.208 3.911 ( -9.368 -7.406 -6.070) 13.396 3.911 ( -9.368 7.406 -6.070) 13.396 4.160 ( -11.706 -1.380 0.003) 11.787 4.160 ( -11.706 1.380 0.003) 11.787 4.639 ( 0.522 -1.521 0.914) 1.850 4.639 ( 0.522 1.521 0.914) 1.850 4.878 ( 2.833 -5.983 0.219) 6.623 4.878 ( 2.833 5.983 0.219) 6.623 4.966 ( -1.837 -1.502 0.333) 2.396 4.966 ( -1.837 1.502 0.333) 2.396 5.151 ( 1.719 -3.181 0.514) 3.652 5.151 ( 1.719 3.181 0.514) 3.652 5.302 ( 0.217 -1.801 0.368) 1.851 5.302 ( 0.217 1.801 0.368) 1.851 5.434 ( 1.537 -4.901 1.148) 5.263 5.434 ( 1.537 4.901 1.148) 5.263 5.687 ( 0.388 -2.610 -1.003) 2.823 5.687 ( 0.388 2.610 -1.003) 2.823 6.173 ( -4.331 -1.226 0.458) 4.525 6.173 ( -4.331 1.226 0.458) 4.525 6.470 ( 6.131 -4.362 -0.525) 7.543 6.470 ( 6.131 4.362 -0.525) 7.543 6.810 ( -0.605 -1.792 3.458) 3.942 6.810 ( -0.605 1.792 3.458) 3.942 6.966 ( 3.398 -2.635 2.638) 5.044 6.966 ( 3.398 2.635 2.638) 5.044 7.231 ( 0.744 -2.852 -1.699) 3.402 7.231 ( 0.744 2.852 -1.699) 3.402 7.495 ( -1.393 -2.935 -1.191) 3.461 7.495 ( -1.393 2.935 -1.191) 3.461 7.688 ( -2.219 -2.375 -0.146) 3.253 7.688 ( -2.219 2.375 -0.146) 3.253 7.764 ( -1.573 -3.274 0.153) 3.635 7.764 ( -1.573 3.274 0.153) 3.635 7.949 ( 1.462 -2.203 -4.968) 5.628 7.949 ( 1.462 2.203 -4.968) 5.628 8.304 ( 4.075 -4.388 0.507) 6.010 8.304 ( 4.075 4.388 0.507) 6.010 8.767 ( -5.391 -7.011 2.940) 9.320 8.767 ( -5.391 7.011 2.940) 9.320 9.294 ( 6.770 -3.322 1.903) 7.777 9.294 ( 6.770 3.322 1.903) 7.777 9.879 ( -3.690 -5.679 0.589) 6.798 9.879 ( -3.690 5.679 0.589) 6.798 10.565 ( -2.758 -1.989 2.161) 4.029 10.565 ( -2.758 1.989 2.161) 4.029 10.679 ( 1.422 -2.491 -8.801) 9.256 10.679 ( 1.422 2.491 -8.801) 9.256 11.310 ( 3.709 -1.791 7.722) 8.751 11.310 ( 3.709 1.791 7.722) 8.751 12.146 ( -1.397 -2.832 -5.214) 6.096 12.146 ( -1.397 2.832 -5.214) 6.096 12.350 ( 0.107 -2.322 -2.831) 3.663 12.350 ( 0.107 2.322 -2.831) 3.663 12.580 ( -2.104 -2.496 -1.234) 3.490 12.580 ( -2.104 2.496 -1.234) 3.490 13.223 ( 3.833 -1.863 0.083) 4.262 13.223 ( 3.833 1.863 0.083) 4.262 13.656 ( -1.882 -2.368 6.079) 6.790 13.656 ( -1.882 2.368 6.079) 6.790 14.099 ( 2.785 -0.507 -1.116) 3.043 14.099 ( 2.785 0.507 -1.116) 3.043 14.464 ( -6.227 -5.335 -1.357) 8.312 14.464 ( -6.227 5.335 -1.357) 8.312 14.890 ( 6.458 -5.068 -0.088) 8.210 14.890 ( 6.458 5.068 -0.088) 8.210 15.480 ( -11.354 -2.436 1.591) 11.721 15.480 ( -11.354 2.436 1.591) 11.721 16.446 ( 1.006 -4.211 1.502) 4.582 16.446 ( 1.006 4.211 1.502) 4.582 16.785 ( 0.536 -5.951 0.129) 5.977 16.785 ( 0.536 5.951 0.129) 5.977 17.529 ( -1.250 -1.332 -3.847) 4.258 17.529 ( -1.250 1.332 -3.847) 4.258 18.443 ( -0.432 -1.497 1.765) 2.354 18.443 ( -0.432 1.497 1.765) 2.354 ======================= Grid point 41 (24/108) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -0.165 -10.395 -0.555) 10.412 1.631 ( -0.165 10.395 -0.555) 10.412 1.840 ( 1.107 -3.795 1.822) 4.352 1.840 ( 1.107 3.795 1.821) 4.352 2.071 ( 1.910 -4.582 -1.131) 5.091 2.071 ( 1.910 4.582 -1.131) 5.091 2.189 ( 0.688 -4.577 5.243) 6.994 2.189 ( 0.688 4.577 5.243) 6.994 2.484 ( -0.867 -1.876 -4.001) 4.503 2.484 ( -0.867 1.876 -4.001) 4.503 2.667 ( 6.564 -5.879 -1.129) 8.884 2.667 ( 6.564 5.879 -1.129) 8.884 2.889 ( -1.782 -11.557 1.211) 11.756 2.889 ( -1.782 11.557 1.211) 11.756 3.021 ( -0.834 -1.116 1.971) 2.413 3.021 ( -0.834 1.116 1.971) 2.413 3.072 ( 1.011 -2.512 -2.282) 3.541 3.072 ( 1.011 2.512 -2.282) 3.541 3.539 ( 1.818 -5.981 0.822) 6.305 3.539 ( 1.818 5.981 0.822) 6.305 3.761 ( -2.127 -5.422 -1.279) 5.963 3.761 ( -2.127 5.422 -1.279) 5.963 3.956 ( -8.948 -0.901 -0.908) 9.039 3.956 ( -8.948 0.901 -0.908) 9.039 4.659 ( 0.690 -0.977 0.499) 1.296 4.659 ( 0.690 0.977 0.499) 1.296 4.886 ( -0.628 -1.638 -0.847) 1.948 4.886 ( -0.628 1.638 -0.847) 1.948 4.989 ( 2.062 -4.472 1.508) 5.150 4.989 ( 2.062 4.472 1.508) 5.150 5.172 ( 0.470 -1.680 -0.412) 1.793 5.172 ( 0.470 1.680 -0.412) 1.793 5.276 ( -1.812 -3.366 0.259) 3.832 5.276 ( -1.812 3.366 0.259) 3.832 5.467 ( 0.983 -5.807 0.353) 5.900 5.467 ( 0.983 5.807 0.353) 5.900 5.705 ( 1.303 -4.027 -0.309) 4.243 5.705 ( 1.303 4.027 -0.309) 4.243 6.108 ( -2.534 -1.098 0.319) 2.780 6.108 ( -2.534 1.098 0.319) 2.780 6.526 ( 1.247 -4.652 -1.009) 4.921 6.526 ( 1.247 4.652 -1.009) 4.921 6.842 ( 1.075 -2.155 1.794) 3.003 6.842 ( 1.075 2.155 1.794) 3.003 7.062 ( 4.329 -5.019 3.391) 7.445 7.062 ( 4.329 5.019 3.391) 7.445 7.212 ( -1.875 -3.553 -2.254) 4.606 7.212 ( -1.875 3.553 -2.254) 4.606 7.457 ( -1.311 -4.477 -0.666) 4.712 7.457 ( -1.311 4.477 -0.666) 4.712 7.655 ( -0.857 -3.486 -0.105) 3.591 7.655 ( -0.857 3.486 -0.105) 3.591 7.734 ( -1.245 -1.646 -0.714) 2.184 7.734 ( -1.245 1.646 -0.714) 2.184 7.960 ( 1.292 -1.928 -1.321) 2.670 7.960 ( 1.292 1.928 -1.321) 2.670 8.376 ( 2.948 -3.036 -0.020) 4.232 8.376 ( 2.948 3.036 -0.020) 4.232 8.687 ( -3.766 -6.495 0.955) 7.568 8.687 ( -3.766 6.495 0.955) 7.568 9.416 ( 4.153 -4.404 1.578) 6.255 9.416 ( 4.153 4.404 1.578) 6.255 9.815 ( -2.745 -6.091 -0.155) 6.683 9.815 ( -2.745 6.091 -0.155) 6.683 10.526 ( -1.327 -1.085 -0.406) 1.762 10.526 ( -1.327 1.086 -0.406) 1.762 10.672 ( 0.878 -2.118 -2.087) 3.100 10.672 ( 0.878 2.118 -2.087) 3.100 11.398 ( 1.632 -2.167 3.367) 4.323 11.398 ( 1.632 2.167 3.367) 4.323 12.090 ( -1.050 -1.315 -3.038) 3.473 12.090 ( -1.050 1.315 -3.038) 3.473 12.341 ( 0.233 -2.045 -1.136) 2.351 12.341 ( 0.233 2.045 -1.136) 2.351 12.552 ( -0.666 -3.247 -0.162) 3.318 12.552 ( -0.666 3.247 -0.162) 3.318 13.281 ( 2.119 -1.648 -0.141) 2.689 13.281 ( 2.119 1.648 -0.141) 2.689 13.652 ( -1.385 -1.397 2.740) 3.373 13.652 ( -1.385 1.397 2.740) 3.373 14.137 ( 1.749 -1.098 -0.886) 2.248 14.137 ( 1.749 1.098 -0.886) 2.248 14.367 ( -3.221 -2.419 -0.257) 4.036 14.367 ( -3.221 2.419 -0.257) 4.036 15.018 ( 7.007 -3.007 -0.441) 7.637 15.018 ( 7.007 3.007 -0.441) 7.637 15.290 ( -9.260 -3.136 1.097) 9.838 15.290 ( -9.260 3.136 1.097) 9.838 16.468 ( 0.457 -5.347 0.691) 5.411 16.468 ( 0.457 5.347 0.691) 5.411 16.792 ( 0.148 -6.175 0.043) 6.177 16.792 ( 0.148 6.175 0.043) 6.177 17.494 ( -0.473 -0.458 -1.676) 1.801 17.494 ( -0.473 0.458 -1.676) 1.801 18.445 ( -0.225 -0.582 0.741) 0.969 18.445 ( -0.225 0.582 0.741) 0.969 ======================= Grid point 77 (25/108) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( -1.335 0.000 16.149) 16.204 0.355 ( -2.295 0.000 16.988) 17.143 1.095 ( 6.245 0.000 45.586) 46.011 1.338 ( -1.313 0.000 -6.075) 6.215 1.513 ( 2.703 0.000 -11.964) 12.265 1.722 ( 0.601 0.000 2.323) 2.400 2.012 ( 3.996 0.000 -6.456) 7.593 2.197 ( 3.384 0.000 -4.927) 5.977 2.293 ( 0.197 0.000 -6.088) 6.091 2.306 ( -5.043 0.000 -3.766) 6.294 2.390 ( 0.365 0.000 9.991) 9.997 2.580 ( 1.660 0.000 -6.599) 6.805 2.599 ( -1.593 0.000 3.245) 3.614 2.887 ( -4.978 0.000 3.282) 5.963 3.014 ( 2.278 0.000 8.074) 8.389 3.141 ( -2.643 0.000 5.113) 5.755 3.405 ( -2.179 0.000 -6.414) 6.774 3.468 ( 0.894 0.000 -2.293) 2.461 3.812 ( -0.108 0.000 -4.069) 4.070 3.900 ( 2.583 0.000 -6.055) 6.583 4.041 ( 8.932 0.000 -3.380) 9.551 4.266 ( -4.164 0.000 -4.537) 6.158 4.350 ( -12.438 0.000 2.053) 12.607 4.406 ( 3.146 0.000 1.034) 3.311 4.592 ( 4.337 0.000 0.020) 4.337 4.863 ( 3.446 0.000 1.509) 3.762 4.965 ( -1.872 0.000 -2.924) 3.472 5.024 ( -1.469 0.000 -0.868) 1.706 5.041 ( -0.407 0.000 3.572) 3.596 5.065 ( -4.394 0.000 1.494) 4.641 5.127 ( 4.267 0.000 2.972) 5.200 5.220 ( 1.267 0.000 -1.246) 1.777 5.502 ( -1.872 0.000 -0.595) 1.964 5.541 ( 1.107 0.000 0.991) 1.486 5.627 ( -1.437 0.000 3.214) 3.521 5.790 ( 0.545 0.000 4.205) 4.241 5.863 ( -12.710 0.000 -1.047) 12.753 5.983 ( 2.785 0.000 -0.572) 2.843 6.142 ( 3.647 0.000 2.851) 4.629 6.162 ( -11.149 0.000 -0.048) 11.149 6.479 ( 1.773 0.000 -7.299) 7.511 6.514 ( -2.989 0.000 -1.896) 3.539 6.554 ( 1.525 0.000 -1.122) 1.894 6.572 ( -1.947 0.000 -2.669) 3.304 6.892 ( 1.606 0.000 2.453) 2.932 6.948 ( -1.875 0.000 9.386) 9.572 7.135 ( -1.037 0.000 -3.933) 4.068 7.267 ( -0.078 0.000 -2.884) 2.885 7.285 ( 1.436 0.000 -0.196) 1.450 7.431 ( 0.015 0.000 -1.789) 1.789 7.485 ( -1.679 0.000 4.116) 4.445 7.714 ( -0.250 0.000 -0.346) 0.427 7.776 ( 0.643 0.000 -2.317) 2.405 7.855 ( 2.360 0.000 -3.310) 4.066 8.001 ( 0.047 0.000 1.768) 1.769 8.064 ( -3.644 0.000 3.785) 5.254 8.171 ( -5.852 0.000 2.480) 6.356 8.469 ( -7.059 0.000 -2.167) 7.385 8.661 ( 2.862 0.000 1.465) 3.215 8.667 ( -2.624 0.000 -1.524) 3.034 9.322 ( -0.071 0.000 0.940) 0.943 9.698 ( -0.337 0.000 0.827) 0.893 10.017 ( -8.568 0.000 -1.924) 8.781 10.059 ( -1.140 0.000 9.089) 9.160 10.380 ( 2.058 0.000 1.589) 2.600 10.505 ( 0.521 0.000 -6.661) 6.681 10.996 ( -4.214 0.000 -3.694) 5.604 11.030 ( 0.740 0.000 0.654) 0.988 11.334 ( -3.379 0.000 -5.429) 6.395 11.445 ( -0.811 0.000 10.300) 10.332 11.800 ( -2.422 0.000 -11.421) 11.675 11.876 ( 0.366 0.000 3.754) 3.772 12.139 ( 0.507 0.000 3.077) 3.119 12.192 ( -0.904 0.000 2.317) 2.487 12.340 ( -1.891 0.000 -0.713) 2.021 12.444 ( 0.192 0.000 -5.042) 5.045 13.201 ( -1.355 0.000 2.504) 2.847 13.339 ( 8.800 0.000 -1.235) 8.887 13.357 ( 0.498 0.000 4.976) 5.001 13.641 ( -5.210 0.000 3.627) 6.348 14.221 ( 2.608 0.000 -1.428) 2.974 14.435 ( 1.509 0.000 0.587) 1.619 14.550 ( -0.034 0.000 -1.770) 1.771 14.923 ( 0.033 0.000 0.531) 0.532 15.007 ( 9.172 0.000 -8.814) 12.721 15.039 ( 2.667 0.000 -3.555) 4.444 15.582 ( 5.227 0.000 5.907) 7.888 16.220 ( -0.545 0.000 -14.281) 14.291 16.448 ( -1.374 0.000 6.400) 6.546 16.754 ( 0.685 0.000 5.343) 5.386 16.826 ( 0.087 0.000 0.735) 0.740 16.902 ( -19.501 0.000 0.266) 19.503 17.669 ( 1.915 0.000 3.569) 4.051 17.958 ( 14.253 0.000 -2.282) 14.434 18.391 ( -3.233 0.000 1.559) 3.590 18.502 ( 19.485 0.000 -0.801) 19.501 ======================= Grid point 78 (26/108) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 10.419 0.000 11.727) 15.687 0.595 ( 14.883 0.000 11.500) 18.808 1.335 ( 9.972 0.000 -9.929) 14.072 1.538 ( 8.981 0.000 -13.059) 15.849 1.556 ( 10.584 0.000 38.317) 39.752 1.813 ( 7.123 0.000 2.867) 7.679 1.979 ( -5.392 0.000 -1.722) 5.660 2.090 ( -12.683 0.000 -7.936) 14.961 2.234 ( 3.720 0.000 -5.358) 6.523 2.304 ( 4.014 0.000 -0.669) 4.069 2.516 ( 2.196 0.000 3.299) 3.963 2.556 ( 1.886 0.000 0.982) 2.126 2.619 ( 1.916 0.000 2.253) 2.958 2.797 ( -6.428 0.000 1.578) 6.619 3.047 ( -2.373 0.000 2.228) 3.255 3.100 ( -6.553 0.000 7.056) 9.630 3.294 ( -5.668 0.000 -6.666) 8.750 3.425 ( -3.912 0.000 -1.516) 4.196 3.756 ( -1.347 0.000 -6.609) 6.745 3.869 ( -2.549 0.000 -7.037) 7.485 4.026 ( -7.629 0.000 2.794) 8.125 4.155 ( -3.667 0.000 -6.936) 7.846 4.348 ( 10.200 0.000 -3.085) 10.656 4.518 ( 7.027 0.000 1.992) 7.304 4.717 ( 7.630 0.000 3.893) 8.566 4.890 ( -2.890 0.000 -2.716) 3.966 4.905 ( -0.717 0.000 0.349) 0.798 4.959 ( -3.295 0.000 -1.859) 3.783 5.039 ( 0.081 0.000 2.575) 2.576 5.058 ( -1.462 0.000 4.790) 5.008 5.157 ( -0.671 0.000 0.811) 1.052 5.234 ( 0.037 0.000 0.118) 0.124 5.386 ( -8.374 0.000 -0.960) 8.429 5.509 ( -3.533 0.000 1.431) 3.812 5.593 ( -5.128 0.000 1.654) 5.388 5.889 ( 7.207 0.000 5.159) 8.863 5.962 ( 3.883 0.000 -7.926) 8.826 6.001 ( 7.084 0.000 -2.474) 7.504 6.188 ( 10.510 0.000 -3.411) 11.050 6.243 ( 4.596 0.000 4.108) 6.164 6.419 ( -3.345 0.000 -3.341) 4.728 6.467 ( -0.906 0.000 -2.918) 3.055 6.518 ( -2.040 0.000 -2.013) 2.866 6.585 ( 3.240 0.000 -2.140) 3.882 6.976 ( -1.509 0.000 7.484) 7.634 7.008 ( 7.924 0.000 2.419) 8.285 7.146 ( 4.469 0.000 -3.347) 5.584 7.205 ( -1.589 0.000 -2.904) 3.310 7.350 ( 5.944 0.000 0.483) 5.964 7.448 ( 2.671 0.000 -3.070) 4.069 7.520 ( 1.417 0.000 4.317) 4.543 7.713 ( 0.032 0.000 -0.187) 0.189 7.775 ( 1.356 0.000 -4.384) 4.589 7.881 ( 1.148 0.000 -3.305) 3.499 8.052 ( 3.965 0.000 4.769) 6.202 8.068 ( -0.396 0.000 3.544) 3.566 8.300 ( -8.588 0.000 -3.305) 9.202 8.383 ( 18.331 0.000 1.972) 18.436 8.635 ( 0.150 0.000 -4.600) 4.603 8.713 ( 1.600 0.000 -0.812) 1.794 9.347 ( 1.944 0.000 2.690) 3.319 9.670 ( -2.297 0.000 -1.635) 2.820 9.930 ( -4.191 0.000 5.933) 7.264 10.056 ( -5.156 0.000 6.169) 8.039 10.426 ( 2.032 0.000 0.426) 2.076 10.468 ( 0.072 0.000 -5.621) 5.622 10.942 ( -1.651 0.000 2.144) 2.706 11.044 ( 0.087 0.000 2.284) 2.286 11.245 ( -2.880 0.000 -4.144) 5.046 11.429 ( -5.007 0.000 0.704) 5.056 11.742 ( 0.978 0.000 -1.649) 1.917 11.879 ( -1.396 0.000 0.896) 1.659 12.193 ( 2.936 0.000 2.769) 4.036 12.198 ( -0.414 0.000 2.255) 2.293 12.317 ( 0.442 0.000 -2.039) 2.087 12.416 ( 0.259 0.000 -3.843) 3.851 13.181 ( -2.167 0.000 0.968) 2.374 13.357 ( -4.523 0.000 2.114) 4.993 13.389 ( -1.046 0.000 6.189) 6.277 13.586 ( -1.303 0.000 0.103) 1.307 14.290 ( 5.572 0.000 -0.144) 5.574 14.477 ( 2.728 0.000 -2.523) 3.716 14.550 ( 1.250 0.000 2.775) 3.043 14.919 ( -0.830 0.000 0.659) 1.060 14.952 ( -3.707 0.000 -10.863) 11.479 15.014 ( -0.943 0.000 -3.385) 3.514 15.577 ( -9.085 0.000 7.036) 11.491 16.006 ( -14.094 0.000 -13.681) 19.642 16.448 ( -3.075 0.000 5.805) 6.569 16.591 ( -17.003 0.000 14.127) 22.105 16.767 ( -1.106 0.000 3.160) 3.348 16.835 ( 0.368 0.000 1.089) 1.150 17.730 ( 1.845 0.000 3.778) 4.205 17.938 ( -4.880 0.000 -1.576) 5.128 18.293 ( -6.959 0.000 -1.787) 7.185 18.401 ( -12.726 0.000 8.280) 15.183 ======================= Grid point 79 (27/108) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 11.494 0.000 6.538) 13.223 0.956 ( 17.637 0.000 7.932) 19.339 1.521 ( 16.217 0.000 -7.181) 17.736 1.653 ( 12.360 0.000 -13.511) 18.312 1.745 ( -11.983 0.000 -17.408) 21.134 1.813 ( -11.818 0.000 1.772) 11.950 1.936 ( 8.575 0.000 9.114) 12.514 2.032 ( 7.058 0.000 23.144) 24.196 2.251 ( 0.834 0.000 -1.603) 1.807 2.379 ( 1.081 0.000 3.128) 3.310 2.420 ( -6.634 0.000 -4.078) 7.787 2.681 ( -0.343 0.000 1.176) 1.225 2.704 ( 3.682 0.000 8.858) 9.593 2.708 ( 2.080 0.000 -4.018) 4.525 2.973 ( -4.503 0.000 -3.283) 5.573 3.017 ( -8.112 0.000 7.226) 10.864 3.138 ( -6.121 0.000 -1.389) 6.276 3.331 ( -5.690 0.000 0.544) 5.716 3.718 ( -7.175 0.000 -6.381) 9.602 3.722 ( 2.869 0.000 -5.621) 6.311 3.944 ( -4.862 0.000 4.133) 6.381 4.042 ( -3.507 0.000 -8.569) 9.259 4.497 ( 7.515 0.000 -5.911) 9.561 4.621 ( 1.826 0.000 1.419) 2.312 4.811 ( -2.732 0.000 -2.141) 3.471 4.884 ( 6.170 0.000 2.019) 6.492 4.934 ( 2.441 0.000 2.358) 3.394 4.946 ( 4.133 0.000 2.338) 4.749 5.027 ( -2.484 0.000 2.545) 3.556 5.038 ( -4.015 0.000 4.520) 6.045 5.175 ( 3.168 0.000 -1.100) 3.353 5.184 ( -3.348 0.000 -2.170) 3.990 5.299 ( -1.430 0.000 2.552) 2.925 5.469 ( -9.046 0.000 0.345) 9.053 5.474 ( -0.901 0.000 0.126) 0.909 5.810 ( -11.214 0.000 -4.055) 11.924 6.069 ( 7.619 0.000 5.002) 9.114 6.131 ( 6.951 0.000 -3.804) 7.924 6.332 ( 1.790 0.000 3.354) 3.802 6.380 ( 7.193 0.000 -4.037) 8.248 6.391 ( 6.908 0.000 -5.058) 8.562 6.411 ( -2.982 0.000 -1.129) 3.188 6.476 ( -1.518 0.000 -0.745) 1.690 6.639 ( 3.532 0.000 -0.693) 3.600 6.983 ( -1.383 0.000 3.220) 3.504 7.136 ( 3.334 0.000 -1.759) 3.770 7.206 ( 3.849 0.000 0.173) 3.853 7.214 ( 4.072 0.000 -1.286) 4.270 7.484 ( 3.737 0.000 -3.774) 5.311 7.489 ( 8.999 0.000 -1.517) 9.126 7.544 ( -1.705 0.000 3.900) 4.256 7.699 ( -1.432 0.000 -0.146) 1.440 7.766 ( 0.413 0.000 -3.481) 3.506 7.881 ( 0.586 0.000 -0.734) 0.939 8.067 ( -0.684 0.000 -0.363) 0.774 8.141 ( -6.991 0.000 -0.297) 6.997 8.204 ( 7.381 0.000 6.505) 9.838 8.556 ( -1.534 0.000 -2.238) 2.713 8.705 ( -0.814 0.000 -2.287) 2.428 8.766 ( 18.670 0.000 -1.875) 18.764 9.433 ( 5.201 0.000 3.869) 6.482 9.600 ( -3.842 0.000 -2.463) 4.564 9.924 ( -2.293 0.000 9.884) 10.147 9.951 ( -9.067 0.000 1.813) 9.246 10.445 ( 0.585 0.000 -3.006) 3.063 10.453 ( 1.040 0.000 -0.833) 1.332 10.938 ( -1.554 0.000 3.350) 3.693 11.048 ( -1.341 0.000 -1.030) 1.691 11.204 ( -0.078 0.000 3.466) 3.467 11.308 ( -5.097 0.000 -6.495) 8.256 11.787 ( 1.753 0.000 5.333) 5.614 11.854 ( -1.270 0.000 -0.119) 1.275 12.198 ( -1.092 0.000 1.410) 1.783 12.242 ( 1.865 0.000 -3.510) 3.975 12.331 ( 2.480 0.000 -2.042) 3.212 12.424 ( 1.725 0.000 1.877) 2.549 13.139 ( -2.223 0.000 -1.066) 2.465 13.259 ( -7.431 0.000 2.794) 7.939 13.397 ( -2.578 0.000 6.198) 6.712 13.585 ( 1.372 0.000 -2.043) 2.461 14.410 ( 7.288 0.000 0.219) 7.292 14.477 ( 0.749 0.000 -4.264) 4.330 14.667 ( 7.888 0.000 5.580) 9.662 14.802 ( -5.277 0.000 -8.989) 10.423 14.908 ( -0.525 0.000 0.907) 1.048 14.977 ( -0.706 0.000 -3.092) 3.172 15.415 ( -13.053 0.000 7.940) 15.278 15.565 ( -23.499 0.000 -12.025) 26.397 16.391 ( -7.774 0.000 8.430) 11.468 16.496 ( -3.855 0.000 9.153) 9.932 16.771 ( 0.019 0.000 -0.078) 0.081 16.854 ( 0.622 0.000 1.851) 1.952 17.756 ( -0.759 0.000 -1.421) 1.611 17.848 ( -3.643 0.000 -2.639) 4.498 18.170 ( -3.725 0.000 -1.522) 4.024 18.303 ( -4.480 0.000 5.491) 7.087 ======================= Grid point 80 (28/108) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 5.365 0.000 4.124) 6.767 1.309 ( 16.548 0.000 5.503) 17.439 1.399 ( -11.407 0.000 -15.992) 19.643 1.526 ( -15.861 0.000 -1.872) 15.971 1.788 ( 16.108 0.000 -5.062) 16.884 1.854 ( 12.214 0.000 -5.816) 13.528 2.028 ( -0.676 0.000 0.596) 0.901 2.178 ( -6.611 0.000 -3.766) 7.608 2.234 ( -2.752 0.000 -1.339) 3.061 2.337 ( -4.432 0.000 -1.637) 4.725 2.362 ( 2.465 0.000 13.392) 13.617 2.637 ( -1.728 0.000 -1.018) 2.006 2.706 ( -8.665 0.000 4.650) 9.834 2.804 ( 3.981 0.000 0.573) 4.022 2.893 ( 2.267 0.000 -6.772) 7.141 2.921 ( -3.237 0.000 6.798) 7.529 3.162 ( 3.383 0.000 9.551) 10.133 3.235 ( -6.205 0.000 1.721) 6.439 3.590 ( -1.989 0.000 -5.524) 5.871 3.796 ( 7.562 0.000 -1.864) 7.788 3.884 ( -4.117 0.000 2.717) 4.932 3.928 ( -1.940 0.000 -9.103) 9.307 4.541 ( 3.340 0.000 -5.783) 6.678 4.620 ( -0.643 0.000 -0.356) 0.735 4.766 ( -1.425 0.000 -1.244) 1.891 4.901 ( -3.833 0.000 -1.013) 3.964 4.992 ( -0.957 0.000 8.702) 8.754 4.999 ( 3.343 0.000 4.528) 5.628 5.047 ( -1.316 0.000 3.912) 4.127 5.109 ( 7.277 0.000 -1.087) 7.357 5.181 ( 2.562 0.000 -3.822) 4.601 5.228 ( 3.531 0.000 -1.542) 3.853 5.288 ( -6.285 0.000 4.189) 7.553 5.326 ( -0.669 0.000 1.831) 1.950 5.479 ( 2.477 0.000 -1.922) 3.136 5.559 ( -12.496 0.000 -4.860) 13.407 6.156 ( -1.458 0.000 0.459) 1.528 6.220 ( 5.272 0.000 -1.497) 5.481 6.338 ( -0.977 0.000 0.740) 1.226 6.398 ( 0.381 0.000 2.931) 2.956 6.402 ( -0.272 0.000 2.030) 2.048 6.442 ( 0.324 0.000 -2.893) 2.911 6.558 ( 9.415 0.000 -3.942) 10.207 6.675 ( 0.777 0.000 -0.855) 1.155 6.975 ( -1.163 0.000 0.740) 1.379 7.141 ( 1.274 0.000 -4.628) 4.800 7.263 ( 1.781 0.000 -0.090) 1.784 7.271 ( 1.206 0.000 0.747) 1.419 7.497 ( 0.144 0.000 -3.949) 3.951 7.554 ( 0.715 0.000 2.841) 2.930 7.635 ( 7.587 0.000 -1.739) 7.783 7.670 ( -1.141 0.000 -1.179) 1.641 7.741 ( 0.603 0.000 -4.521) 4.561 7.869 ( -2.517 0.000 -0.154) 2.522 8.047 ( -0.841 0.000 -1.021) 1.322 8.049 ( -3.825 0.000 2.208) 4.416 8.335 ( -0.200 0.000 8.050) 8.052 8.519 ( 0.747 0.000 -3.181) 3.268 8.701 ( 2.564 0.000 0.425) 2.599 9.075 ( 15.533 0.000 0.989) 15.565 9.510 ( -4.064 0.000 -2.614) 4.832 9.558 ( 4.569 0.000 2.950) 5.439 9.784 ( -8.496 0.000 0.043) 8.496 9.979 ( -0.172 0.000 14.575) 14.577 10.454 ( 1.845 0.000 -0.634) 1.951 10.455 ( -0.127 0.000 -0.877) 0.886 10.899 ( -3.075 0.000 -4.635) 5.563 10.982 ( -2.798 0.000 -4.650) 5.427 11.208 ( -2.137 0.000 -1.646) 2.697 11.285 ( 2.905 0.000 10.161) 10.568 11.835 ( -0.576 0.000 -1.203) 1.334 11.855 ( 1.543 0.000 6.153) 6.344 12.175 ( -1.929 0.000 -0.147) 1.934 12.219 ( -0.405 0.000 -5.932) 5.945 12.372 ( 2.678 0.000 -0.549) 2.733 12.479 ( 1.458 0.000 3.457) 3.752 13.104 ( -0.075 0.000 -2.221) 2.222 13.142 ( -6.318 0.000 -0.275) 6.324 13.374 ( -3.921 0.000 4.826) 6.218 13.598 ( 1.551 0.000 -2.177) 2.673 14.469 ( 1.548 0.000 -3.888) 4.185 14.506 ( 1.516 0.000 -2.652) 3.055 14.670 ( -1.880 0.000 -7.737) 7.962 14.793 ( -0.808 0.000 -0.928) 1.231 14.964 ( 1.345 0.000 -1.184) 1.792 14.967 ( 2.712 0.000 0.559) 2.769 15.162 ( -5.432 0.000 -0.898) 5.506 15.254 ( -9.168 0.000 6.606) 11.300 16.316 ( -5.765 0.000 6.448) 8.649 16.507 ( -1.672 0.000 8.252) 8.420 16.749 ( -1.388 0.000 -3.397) 3.669 16.876 ( 0.170 0.000 2.086) 2.093 17.689 ( -2.019 0.000 -7.959) 8.211 17.761 ( -3.297 0.000 -6.093) 6.928 18.167 ( 1.828 0.000 3.402) 3.862 18.280 ( -1.824 0.000 3.516) 3.961 ======================= Grid point 81 (29/108) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -15.559 0.000 -4.150) 16.103 1.197 ( -19.798 0.000 0.517) 19.805 1.259 ( -3.339 0.000 -1.679) 3.738 1.606 ( 12.609 0.000 2.861) 12.929 1.825 ( -11.237 0.000 -0.563) 11.251 1.989 ( -5.694 0.000 -6.705) 8.796 1.996 ( 3.452 0.000 -3.069) 4.618 2.094 ( -2.575 0.000 -15.019) 15.238 2.109 ( 12.286 0.000 -5.380) 13.412 2.336 ( 3.467 0.000 4.902) 6.004 2.431 ( -2.938 0.000 4.648) 5.499 2.581 ( -7.710 0.000 9.314) 12.091 2.585 ( -2.624 0.000 -3.622) 4.472 2.804 ( 0.029 0.000 0.104) 0.108 2.984 ( 2.867 0.000 7.517) 8.045 2.998 ( 3.409 0.000 1.727) 3.822 3.143 ( -0.499 0.000 -1.286) 1.379 3.294 ( 4.119 0.000 8.449) 9.400 3.587 ( 5.178 0.000 -4.829) 7.081 3.828 ( -1.397 0.000 -2.875) 3.196 3.847 ( -0.725 0.000 -0.125) 0.736 3.985 ( 11.233 0.000 -4.074) 11.949 4.593 ( 5.982 0.000 -2.134) 6.351 4.616 ( -0.371 0.000 0.069) 0.377 4.743 ( 0.435 0.000 -2.303) 2.344 4.842 ( -0.350 0.000 -3.018) 3.039 4.990 ( -7.654 0.000 -1.591) 7.818 5.046 ( -3.395 0.000 9.848) 10.416 5.046 ( -4.977 0.000 4.678) 6.830 5.113 ( 2.271 0.000 2.204) 3.165 5.151 ( -0.627 0.000 1.280) 1.426 5.264 ( -0.231 0.000 -1.043) 1.068 5.287 ( 0.407 0.000 2.446) 2.479 5.325 ( -6.661 0.000 -6.279) 9.154 5.424 ( 7.383 0.000 1.513) 7.536 5.586 ( 10.542 0.000 -3.641) 11.153 6.063 ( -6.552 0.000 -2.403) 6.979 6.280 ( -6.357 0.000 -0.218) 6.360 6.310 ( 5.365 0.000 0.331) 5.375 6.363 ( -4.755 0.000 1.512) 4.989 6.439 ( 2.156 0.000 1.698) 2.744 6.469 ( 3.302 0.000 -1.327) 3.559 6.676 ( 5.168 0.000 -0.359) 5.181 6.687 ( 1.415 0.000 -0.507) 1.503 6.934 ( -3.628 0.000 -0.024) 3.628 7.143 ( 3.046 0.000 -5.524) 6.308 7.248 ( -4.121 0.000 0.325) 4.134 7.276 ( -0.442 0.000 0.473) 0.647 7.475 ( 0.053 0.000 -2.997) 2.998 7.543 ( -4.032 0.000 -0.252) 4.040 7.594 ( -5.690 0.000 -3.506) 6.683 7.678 ( 1.056 0.000 -0.898) 1.386 7.804 ( -2.013 0.000 -2.656) 3.332 7.841 ( 9.799 0.000 -2.883) 10.215 8.007 ( -3.553 0.000 2.332) 4.251 8.032 ( -0.787 0.000 1.368) 1.579 8.321 ( -4.138 0.000 6.816) 7.974 8.547 ( 3.202 0.000 -0.987) 3.351 8.780 ( 2.509 0.000 4.041) 4.757 9.319 ( 9.887 0.000 0.031) 9.888 9.440 ( -0.420 0.000 -2.471) 2.507 9.511 ( -8.037 0.000 -1.739) 8.223 9.779 ( 4.721 0.000 3.860) 6.098 10.116 ( 3.217 0.000 20.231) 20.485 10.442 ( -1.165 0.000 1.379) 1.806 10.496 ( 2.641 0.000 -0.169) 2.646 10.780 ( -2.368 0.000 -14.137) 14.334 10.923 ( -0.282 0.000 -3.297) 3.309 11.208 ( -0.245 0.000 6.079) 6.084 11.403 ( 2.267 0.000 10.039) 10.292 11.811 ( -0.444 0.000 -3.360) 3.389 11.915 ( 1.328 0.000 3.852) 4.075 12.132 ( -2.301 0.000 -0.389) 2.333 12.172 ( -1.255 0.000 -2.706) 2.983 12.405 ( 0.723 0.000 0.693) 1.002 12.503 ( -0.363 0.000 0.952) 1.019 13.033 ( -4.067 0.000 -4.768) 6.267 13.114 ( 2.652 0.000 -1.894) 3.259 13.330 ( -3.526 0.000 3.430) 4.919 13.609 ( 0.918 0.000 -1.378) 1.656 14.410 ( -6.022 0.000 -5.638) 8.249 14.484 ( 2.478 0.000 -3.134) 3.996 14.622 ( -1.018 0.000 -6.988) 7.061 14.644 ( -9.199 0.000 -4.353) 10.177 14.902 ( -1.710 0.000 0.646) 1.827 15.009 ( 2.779 0.000 -0.386) 2.806 15.209 ( 1.043 0.000 4.929) 5.038 15.477 ( 24.216 0.000 6.134) 24.981 16.274 ( -3.252 0.000 6.257) 7.052 16.536 ( -1.425 0.000 9.172) 9.282 16.682 ( -2.749 0.000 -4.934) 5.648 16.878 ( -0.978 0.000 0.597) 1.146 17.621 ( 0.129 0.000 -6.728) 6.729 17.646 ( -4.083 0.000 -8.957) 9.844 18.245 ( 3.435 0.000 4.347) 5.540 18.272 ( -1.261 0.000 2.017) 2.379 ======================= Grid point 82 (30/108) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -14.098 0.000 11.088) 17.936 0.835 ( -21.485 0.000 3.045) 21.700 1.034 ( -22.324 0.000 6.939) 23.377 1.634 ( -7.411 0.000 -5.422) 9.183 1.725 ( -2.514 0.000 -3.281) 4.134 1.854 ( -6.370 0.000 -0.257) 6.375 1.921 ( 3.542 0.000 -10.083) 10.687 2.094 ( 5.946 0.000 -8.831) 10.646 2.277 ( 7.128 0.000 -2.396) 7.520 2.365 ( -3.682 0.000 1.036) 3.825 2.441 ( -0.242 0.000 -0.252) 0.349 2.548 ( 4.868 0.000 -0.967) 4.963 2.566 ( -1.296 0.000 8.021) 8.125 2.817 ( -1.824 0.000 6.541) 6.790 2.949 ( -4.572 0.000 3.711) 5.889 3.077 ( 2.904 0.000 4.568) 5.413 3.270 ( 10.625 0.000 -2.512) 10.918 3.406 ( 3.631 0.000 2.846) 4.613 3.691 ( 9.518 0.000 -5.382) 10.934 3.803 ( 0.880 0.000 -3.297) 3.413 3.856 ( 2.194 0.000 -1.716) 2.785 4.151 ( 8.538 0.000 -0.820) 8.578 4.573 ( -5.113 0.000 1.235) 5.260 4.706 ( 4.915 0.000 0.533) 4.944 4.746 ( -8.662 0.000 -5.957) 10.513 4.772 ( 4.666 0.000 -2.492) 5.289 4.901 ( -13.026 0.000 5.548) 14.158 4.925 ( 4.445 0.000 -1.398) 4.659 5.025 ( -1.221 0.000 4.086) 4.265 5.145 ( -4.168 0.000 1.239) 4.348 5.176 ( 2.132 0.000 1.793) 2.786 5.212 ( -2.438 0.000 -1.607) 2.920 5.317 ( 6.099 0.000 -0.113) 6.100 5.331 ( 3.572 0.000 2.267) 4.230 5.558 ( 6.130 0.000 1.322) 6.271 5.760 ( 10.402 0.000 -3.577) 11.000 5.916 ( -8.174 0.000 -1.335) 8.282 6.153 ( -5.677 0.000 -1.328) 5.830 6.261 ( -6.960 0.000 -0.418) 6.973 6.412 ( 5.309 0.000 1.105) 5.422 6.487 ( 2.514 0.000 -0.004) 2.514 6.526 ( 3.227 0.000 0.237) 3.235 6.673 ( -2.473 0.000 -5.022) 5.598 6.729 ( 0.452 0.000 0.163) 0.480 6.886 ( -2.019 0.000 5.147) 5.529 7.123 ( -9.218 0.000 0.272) 9.222 7.197 ( 6.088 0.000 -5.633) 8.294 7.258 ( -1.774 0.000 0.627) 1.882 7.406 ( -4.654 0.000 -5.637) 7.310 7.445 ( -7.558 0.000 -4.318) 8.704 7.484 ( -0.770 0.000 1.372) 1.574 7.697 ( 1.278 0.000 -0.253) 1.303 7.791 ( 2.075 0.000 -2.667) 3.379 7.901 ( -3.596 0.000 -2.153) 4.191 7.986 ( 1.586 0.000 1.727) 2.345 8.037 ( -0.683 0.000 4.090) 4.146 8.349 ( 3.272 0.000 5.868) 6.718 8.589 ( 1.064 0.000 0.288) 1.102 8.795 ( -3.787 0.000 2.958) 4.806 9.326 ( -0.892 0.000 -13.830) 13.858 9.379 ( -4.472 0.000 -1.558) 4.735 9.548 ( 7.115 0.000 3.551) 7.952 9.894 ( 4.006 0.000 6.007) 7.220 10.310 ( 3.518 0.000 7.285) 8.090 10.470 ( 2.844 0.000 1.216) 3.093 10.529 ( 1.936 0.000 -2.881) 3.471 10.693 ( 2.819 0.000 4.138) 5.007 10.939 ( 3.059 0.000 -0.558) 3.109 11.255 ( -0.315 0.000 8.686) 8.691 11.468 ( -0.752 0.000 3.845) 3.918 11.790 ( 0.470 0.000 -0.947) 1.057 11.942 ( 0.810 0.000 -2.014) 2.171 12.110 ( -0.774 0.000 4.689) 4.753 12.145 ( -1.251 0.000 0.851) 1.513 12.401 ( -1.498 0.000 0.580) 1.606 12.489 ( -0.492 0.000 -1.794) 1.860 12.929 ( -3.286 0.000 -7.250) 7.961 13.162 ( 2.824 0.000 0.065) 2.825 13.303 ( -1.648 0.000 2.916) 3.350 13.617 ( 0.234 0.000 1.220) 1.242 14.279 ( -4.121 0.000 -5.177) 6.617 14.475 ( -3.143 0.000 -1.984) 3.717 14.532 ( -4.158 0.000 -3.139) 5.210 14.537 ( 0.865 0.000 -1.628) 1.844 14.899 ( 0.327 0.000 0.700) 0.773 15.031 ( 1.131 0.000 -1.846) 2.165 15.325 ( 7.346 0.000 1.219) 7.447 15.950 ( 23.899 0.000 -0.180) 23.900 16.293 ( -0.168 0.000 10.265) 10.267 16.584 ( -0.196 0.000 12.545) 12.546 16.612 ( -1.346 0.000 -2.160) 2.545 16.854 ( -1.355 0.000 -0.676) 1.515 17.499 ( -5.346 0.000 -10.451) 11.739 17.605 ( 1.243 0.000 -2.641) 2.919 18.258 ( -1.223 0.000 0.612) 1.367 18.331 ( 3.103 0.000 3.527) 4.698 ======================= Grid point 83 (31/108) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -19.790 0.000 8.560) 21.562 0.498 ( -17.604 0.000 13.572) 22.228 0.797 ( -9.374 0.000 38.628) 39.749 1.465 ( -6.739 0.000 -6.950) 9.680 1.594 ( -3.599 0.000 -9.730) 10.374 1.753 ( -5.545 0.000 3.068) 6.338 1.965 ( 6.497 0.000 -10.013) 11.937 2.156 ( 5.044 0.000 -4.523) 6.775 2.301 ( -0.534 0.000 3.875) 3.911 2.361 ( -2.468 0.000 -7.633) 8.022 2.390 ( 1.353 0.000 0.818) 1.581 2.589 ( 0.771 0.000 -1.448) 1.640 2.617 ( -0.994 0.000 1.968) 2.205 2.881 ( 3.226 0.000 12.286) 12.703 2.927 ( -1.861 0.000 3.237) 3.734 3.139 ( 0.364 0.000 4.222) 4.238 3.415 ( 6.731 0.000 -2.506) 7.182 3.447 ( 1.360 0.000 -3.852) 4.085 3.811 ( 1.971 0.000 -2.983) 3.575 3.844 ( 11.594 0.000 -8.956) 14.650 3.896 ( 3.490 0.000 0.464) 3.521 4.273 ( 5.040 0.000 -0.154) 5.043 4.457 ( -8.297 0.000 1.913) 8.515 4.592 ( -2.402 0.000 -6.472) 6.903 4.609 ( -15.299 0.000 1.615) 15.384 4.784 ( 4.102 0.000 0.104) 4.103 4.958 ( 7.740 0.000 3.355) 8.436 4.996 ( 3.062 0.000 -0.137) 3.065 5.041 ( -0.056 0.000 2.584) 2.584 5.059 ( -4.713 0.000 -0.134) 4.715 5.144 ( -3.812 0.000 -1.075) 3.961 5.208 ( 1.113 0.000 -0.549) 1.241 5.444 ( 6.395 0.000 1.290) 6.524 5.453 ( 6.964 0.000 1.443) 7.112 5.636 ( 0.249 0.000 2.287) 2.300 5.793 ( -4.164 0.000 2.155) 4.688 5.898 ( 7.076 0.000 -2.499) 7.504 6.094 ( -0.050 0.000 0.011) 0.051 6.113 ( -8.448 0.000 -2.550) 8.825 6.497 ( 1.727 0.000 1.077) 2.035 6.521 ( 1.772 0.000 -3.718) 4.119 6.561 ( -3.567 0.000 -5.536) 6.585 6.565 ( -0.309 0.000 -3.711) 3.724 6.642 ( -8.670 0.000 -9.306) 12.719 6.916 ( -0.874 0.000 8.697) 8.741 6.947 ( -8.233 0.000 0.476) 8.247 7.212 ( -4.004 0.000 -0.966) 4.119 7.247 ( 2.543 0.000 -5.427) 5.994 7.306 ( -3.638 0.000 -2.900) 4.652 7.379 ( 3.959 0.000 2.527) 4.697 7.484 ( -0.633 0.000 1.736) 1.848 7.715 ( 0.630 0.000 -0.070) 0.634 7.811 ( -3.659 0.000 -1.372) 3.908 7.832 ( 3.948 0.000 -2.712) 4.789 8.002 ( -0.522 0.000 0.836) 0.985 8.055 ( -0.599 0.000 4.651) 4.690 8.473 ( 5.369 0.000 3.289) 6.296 8.567 ( -5.053 0.000 -3.194) 5.977 8.698 ( -6.918 0.000 0.507) 6.936 9.032 ( -21.592 0.000 -32.839) 39.301 9.329 ( -1.041 0.000 -0.308) 1.086 9.663 ( 3.023 0.000 3.215) 4.413 9.994 ( 1.753 0.000 8.512) 8.691 10.303 ( -9.811 0.000 -24.600) 26.485 10.346 ( 0.581 0.000 1.314) 1.436 10.529 ( 1.260 0.000 -5.568) 5.709 10.997 ( 2.769 0.000 0.292) 2.784 11.031 ( 10.219 0.000 6.193) 11.949 11.325 ( 2.667 0.000 14.501) 14.744 11.426 ( -3.170 0.000 -3.719) 4.886 11.825 ( 1.588 0.000 4.471) 4.745 11.918 ( -0.140 0.000 -10.403) 10.404 12.132 ( -1.196 0.000 2.050) 2.373 12.182 ( 2.173 0.000 5.561) 5.971 12.377 ( -1.556 0.000 1.248) 1.994 12.469 ( 0.245 0.000 -3.918) 3.925 12.960 ( 14.642 0.000 16.897) 22.358 13.198 ( 0.080 0.000 2.355) 2.356 13.315 ( 0.740 0.000 3.280) 3.363 13.647 ( 0.501 0.000 6.126) 6.146 14.213 ( -0.145 0.000 -2.856) 2.860 14.427 ( -1.049 0.000 0.053) 1.050 14.553 ( 1.253 0.000 -2.035) 2.390 14.561 ( 11.469 0.000 17.566) 20.979 14.913 ( 0.634 0.000 0.500) 0.808 15.037 ( 1.174 0.000 -2.822) 3.056 15.442 ( 5.811 0.000 -0.503) 5.833 16.228 ( 10.320 0.000 -12.063) 15.875 16.394 ( 1.876 0.000 10.800) 10.962 16.654 ( 4.374 0.000 6.511) 7.844 16.829 ( 21.538 0.000 27.912) 35.255 16.830 ( -0.652 0.000 -0.785) 1.021 17.342 ( -3.092 0.000 -1.815) 3.585 17.624 ( 1.400 0.000 1.040) 1.744 18.247 ( 0.614 0.000 0.579) 0.844 18.392 ( 1.078 0.000 2.832) 3.031 ======================= Grid point 84 (32/108) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -1.939 16.455 10.770) 19.762 0.714 ( -0.826 25.227 10.272) 27.250 1.136 ( 7.218 5.174 42.607) 43.522 1.440 ( -1.468 8.507 -3.464) 9.302 1.537 ( 0.102 3.097 -11.378) 11.792 1.766 ( 2.905 4.353 -1.440) 5.427 2.021 ( 3.853 0.719 -6.253) 7.380 2.147 ( -1.609 -4.115 -4.156) 6.066 2.246 ( 0.886 -1.521 -4.204) 4.558 2.316 ( -0.671 -1.305 -2.439) 2.846 2.433 ( 0.218 3.858 8.714) 9.533 2.589 ( -0.471 -0.171 2.160) 2.218 2.628 ( 0.050 3.698 -6.038) 7.081 2.928 ( -3.930 0.399 3.128) 5.039 2.988 ( 0.778 -0.648 6.538) 6.616 3.176 ( -2.574 2.698 4.353) 5.732 3.353 ( 0.450 -6.052 -4.929) 7.819 3.393 ( -2.197 -6.175 -2.143) 6.895 3.710 ( 5.355 -9.699 -5.493) 12.366 3.778 ( -4.577 -9.802 -2.261) 11.052 4.080 ( 5.639 3.648 -0.406) 6.728 4.232 ( -1.811 0.373 -1.710) 2.519 4.405 ( 0.219 3.563 -2.266) 4.228 4.485 ( -4.587 3.508 -5.847) 8.218 4.611 ( 2.709 1.547 2.668) 4.105 4.868 ( 4.325 0.255 0.313) 4.344 4.926 ( -1.868 -5.870 0.820) 6.215 4.980 ( 1.165 -3.672 1.526) 4.144 5.004 ( -4.771 1.500 -0.311) 5.011 5.112 ( 0.796 -0.341 2.967) 3.091 5.141 ( -0.259 1.920 1.915) 2.724 5.213 ( 1.744 -0.656 -2.366) 3.012 5.386 ( -2.994 -9.614 0.105) 10.071 5.463 ( 0.901 -5.715 3.265) 6.643 5.699 ( 0.425 1.695 -0.702) 1.884 5.800 ( 0.673 0.175 2.512) 2.607 5.865 ( -1.375 -0.414 -2.400) 2.797 5.975 ( -0.046 -1.725 -0.342) 1.759 6.108 ( 4.225 -1.564 3.797) 5.892 6.153 ( -6.734 -0.088 2.170) 7.076 6.440 ( -1.478 -4.239 -4.310) 6.223 6.480 ( -0.121 -0.580 -5.087) 5.122 6.597 ( -0.288 2.421 -2.933) 3.814 6.616 ( -1.594 1.900 -2.745) 3.699 6.943 ( -0.166 1.927 5.008) 5.369 6.957 ( 1.565 2.714 5.460) 6.296 7.152 ( 0.567 1.348 -1.070) 1.812 7.243 ( -1.494 -1.581 -3.459) 4.086 7.331 ( 0.380 3.364 -1.767) 3.818 7.387 ( 3.452 2.080 0.197) 4.035 7.508 ( -2.741 2.194 1.530) 3.830 7.720 ( -0.917 -3.990 1.264) 4.285 7.770 ( 2.865 -0.772 -1.028) 3.141 7.936 ( 0.839 7.138 -5.446) 9.017 8.019 ( 1.431 -1.682 -0.291) 2.227 8.061 ( -3.766 -2.858 7.970) 9.267 8.082 ( -0.000 0.122 0.253) 0.281 8.488 ( -2.232 0.357 -2.204) 3.157 8.646 ( -1.572 -2.026 0.300) 2.582 8.750 ( -1.842 6.271 -2.615) 7.040 9.285 ( 0.442 -3.454 1.765) 3.904 9.692 ( -1.233 -1.043 -0.829) 1.815 9.898 ( -3.028 -7.726 6.290) 10.413 10.084 ( -0.145 1.661 7.197) 7.387 10.395 ( 1.404 1.600 -0.792) 2.272 10.536 ( 0.598 1.487 -8.123) 8.279 10.868 ( 0.765 -6.224 -0.977) 6.347 11.021 ( 0.535 -1.422 1.167) 1.916 11.328 ( -3.452 -0.899 -2.786) 4.526 11.408 ( -0.084 -2.354 10.776) 11.031 11.815 ( -1.495 2.849 -7.849) 8.483 12.037 ( -3.567 5.320 -8.613) 10.733 12.191 ( 0.653 1.848 2.346) 3.057 12.253 ( -0.198 7.879 -3.781) 8.741 12.366 ( -2.500 2.147 -0.706) 3.371 12.469 ( -0.044 2.544 -4.504) 5.173 13.103 ( 5.039 -5.512 5.254) 9.131 13.222 ( -2.425 -3.840 0.886) 4.627 13.549 ( 3.014 7.870 6.085) 10.394 13.673 ( -2.501 3.258 4.413) 6.028 14.137 ( 2.273 -6.083 -0.724) 6.534 14.369 ( 0.815 -10.516 -1.231) 10.619 14.518 ( 2.329 0.678 2.746) 3.664 14.820 ( 3.155 -7.655 4.089) 9.234 15.023 ( 5.035 3.926 4.240) 7.665 15.045 ( 0.604 1.157 -2.412) 2.742 15.455 ( 0.291 -6.417 2.215) 6.794 16.062 ( -1.813 -14.654 -9.815) 17.730 16.439 ( -1.396 -3.351 6.641) 7.568 16.554 ( -6.660 -8.600 11.511) 15.837 16.707 ( 1.365 -5.019 6.260) 8.139 16.894 ( -0.854 0.453 -2.783) 2.946 17.463 ( 6.426 -6.613 7.784) 12.067 17.797 ( 2.719 -3.309 2.344) 4.882 18.284 ( 1.415 -0.667 2.211) 2.708 18.383 ( -1.185 -2.413 0.717) 2.782 ======================= Grid point 85 (33/108) ======================= q-point: ( 0.14 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 2.572 11.619 13.109) 17.705 0.913 ( 11.487 20.305 8.674) 24.889 1.418 ( 4.166 7.038 -9.572) 12.590 1.548 ( 10.029 2.911 1.500) 10.550 1.594 ( 11.224 1.707 25.353) 27.779 1.838 ( 4.912 3.626 -1.645) 6.323 1.994 ( -5.985 1.121 -6.331) 8.784 2.046 ( -2.722 -2.752 -4.115) 5.649 2.250 ( -0.825 1.032 -3.248) 3.507 2.309 ( 3.674 0.671 1.821) 4.155 2.519 ( 2.184 0.268 7.329) 7.653 2.572 ( -1.970 2.346 -4.691) 5.603 2.629 ( 3.420 0.583 1.607) 3.823 2.840 ( -6.085 3.019 1.673) 6.996 3.001 ( -2.554 -3.232 1.748) 4.475 3.133 ( -5.780 2.028 6.065) 8.620 3.259 ( -5.339 -3.814 -5.201) 8.372 3.356 ( -2.041 -6.453 -1.409) 6.913 3.685 ( -2.534 -8.169 -4.688) 9.754 3.754 ( 2.165 -7.195 -5.375) 9.238 4.053 ( -6.369 2.667 3.136) 7.584 4.195 ( -3.154 2.352 -6.822) 7.875 4.370 ( 6.293 2.178 -3.984) 7.760 4.543 ( 7.028 0.821 -3.161) 7.749 4.715 ( 5.098 0.020 4.968) 7.119 4.854 ( -3.946 -2.416 1.286) 4.802 4.912 ( -2.870 -0.016 -1.088) 3.069 4.968 ( 2.375 -2.405 -1.280) 3.614 5.013 ( 1.745 -1.837 3.870) 4.626 5.071 ( -5.862 2.006 1.164) 6.304 5.145 ( -1.055 -1.065 1.942) 2.453 5.212 ( -1.212 -2.526 -2.585) 3.812 5.305 ( -4.421 -5.689 0.238) 7.209 5.448 ( -3.950 -3.554 3.589) 6.412 5.649 ( -3.971 1.680 1.005) 4.427 5.839 ( 1.232 -3.683 1.238) 4.076 5.944 ( 2.080 -3.383 -2.513) 4.699 5.970 ( 5.276 -2.483 -1.510) 6.024 6.182 ( 8.020 -0.383 -2.004) 8.275 6.236 ( 5.122 -0.362 4.643) 6.923 6.397 ( -0.508 -2.551 -1.268) 2.894 6.446 ( 0.770 -0.182 -5.343) 5.401 6.569 ( -1.439 3.726 -3.395) 5.242 6.611 ( 2.969 2.014 -1.740) 3.987 6.972 ( 1.067 0.222 4.416) 4.548 7.019 ( 1.275 0.485 3.658) 3.904 7.185 ( 1.013 -0.047 -3.212) 3.368 7.239 ( 3.684 5.983 -0.711) 7.062 7.364 ( 5.476 0.658 -0.913) 5.591 7.459 ( 4.388 2.424 -2.783) 5.734 7.506 ( -0.317 -0.496 5.901) 5.930 7.705 ( -0.937 -1.727 0.356) 1.997 7.793 ( 1.326 -0.453 -4.937) 5.132 7.866 ( -0.073 0.258 -2.283) 2.298 8.016 ( -1.711 -0.767 0.326) 1.903 8.075 ( 2.406 -4.013 0.639) 4.722 8.230 ( 1.103 -0.061 6.978) 7.065 8.489 ( 9.346 4.990 -1.895) 10.763 8.621 ( -1.615 -0.785 -1.508) 2.345 8.722 ( 0.239 0.605 -3.962) 4.015 9.325 ( 2.329 -2.043 3.461) 4.645 9.633 ( -3.723 -3.119 -2.848) 5.630 9.884 ( -3.908 -3.735 8.387) 9.979 10.094 ( -3.290 2.381 4.667) 6.186 10.410 ( 1.223 -0.001 -2.321) 2.624 10.508 ( 1.124 1.779 -4.893) 5.326 10.875 ( -0.171 -4.820 2.115) 5.266 11.027 ( -0.728 -1.955 1.231) 2.422 11.238 ( -3.018 -0.281 -3.852) 4.902 11.438 ( -3.155 0.257 4.212) 5.269 11.765 ( 0.624 2.272 -2.720) 3.598 11.933 ( -2.964 4.065 -3.946) 6.394 12.216 ( 0.741 1.718 1.298) 2.278 12.259 ( 1.665 5.096 -0.600) 5.395 12.329 ( -1.117 1.102 -0.171) 1.579 12.452 ( 1.192 3.766 -3.622) 5.360 13.149 ( -2.264 -2.545 0.056) 3.407 13.220 ( 1.448 -5.198 4.222) 6.852 13.563 ( -4.799 8.565 5.738) 11.372 13.641 ( -2.089 4.786 0.658) 5.263 14.203 ( 5.180 -6.440 0.444) 8.276 14.369 ( 0.827 -9.825 -2.632) 10.205 14.587 ( 3.351 2.105 3.955) 5.595 14.841 ( -1.029 -5.715 0.697) 5.848 15.025 ( -1.079 1.403 -2.454) 3.026 15.048 ( -1.560 6.511 -4.878) 8.284 15.440 ( -6.525 -10.319 7.737) 14.454 15.867 ( -12.741 -12.806 -10.868) 21.082 16.420 ( -5.991 -4.463 8.375) 11.223 16.505 ( -4.818 -1.573 8.539) 9.930 16.743 ( 0.058 -2.645 3.486) 4.376 16.872 ( 0.312 2.509 -1.462) 2.921 17.613 ( 4.258 -9.827 7.518) 13.085 17.794 ( -2.491 -7.220 -2.646) 8.083 18.302 ( -1.912 0.757 2.001) 2.869 18.331 ( -4.253 -1.203 1.172) 4.573 ======================= Grid point 86 (34/108) ======================= q-point: ( 0.29 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 10.779 4.950 9.966) 15.492 1.172 ( 10.990 14.193 6.190) 18.988 1.461 ( 7.022 -2.827 -7.044) 10.340 1.671 ( 1.529 -1.592 -7.875) 8.179 1.728 ( -8.694 -0.662 -13.738) 16.271 1.883 ( 4.715 8.866 -3.377) 10.594 1.998 ( 10.737 4.227 15.697) 19.482 2.060 ( 2.966 2.811 6.698) 7.846 2.221 ( -1.346 -1.160 3.167) 3.631 2.393 ( 0.637 1.052 4.770) 4.926 2.456 ( -5.021 2.883 -5.326) 7.867 2.613 ( 2.047 -2.661 3.981) 5.207 2.685 ( 1.367 -1.672 -2.781) 3.521 2.802 ( 0.675 5.178 5.024) 7.247 2.933 ( -4.049 -2.512 -1.963) 5.154 3.061 ( -6.195 2.892 5.220) 8.602 3.141 ( -3.873 -0.714 -1.002) 4.063 3.300 ( -3.498 -2.802 -0.076) 4.483 3.642 ( 0.824 -6.360 -4.486) 7.827 3.702 ( -2.628 -1.617 -4.407) 5.380 3.968 ( -5.669 2.822 2.152) 6.688 4.093 ( -1.704 2.919 -7.562) 8.283 4.495 ( 8.040 -0.080 -3.948) 8.957 4.612 ( 2.815 -2.565 -2.893) 4.783 4.764 ( -2.320 -0.646 -0.694) 2.506 4.830 ( 0.620 -6.038 4.513) 7.564 4.913 ( 0.764 -4.620 3.198) 5.670 4.950 ( -5.951 -3.745 2.644) 7.512 4.998 ( 1.419 2.483 -3.224) 4.310 5.051 ( -0.735 0.009 3.046) 3.133 5.137 ( 0.320 -2.256 -1.724) 2.858 5.183 ( 2.545 -0.236 -0.734) 2.659 5.276 ( -0.750 -1.920 3.143) 3.758 5.382 ( -6.256 -3.351 2.628) 7.568 5.570 ( -4.616 3.509 0.233) 5.803 5.753 ( -7.845 -4.993 -4.107) 10.166 6.001 ( 4.577 -5.915 2.819) 7.992 6.091 ( 6.986 -3.455 -1.985) 8.043 6.304 ( 1.886 -4.778 1.229) 5.281 6.305 ( 2.938 -2.756 -0.669) 4.083 6.419 ( 4.104 1.555 -3.891) 5.865 6.446 ( 0.856 1.465 0.392) 1.742 6.533 ( 0.420 5.855 -2.722) 6.470 6.673 ( 4.776 2.441 -0.662) 5.404 6.992 ( -2.090 0.125 2.873) 3.555 7.096 ( 5.646 -3.159 -0.157) 6.471 7.173 ( 0.746 -0.245 -3.270) 3.363 7.279 ( 1.239 3.013 -0.264) 3.269 7.479 ( 3.619 -0.154 -0.881) 3.728 7.503 ( 2.409 0.697 -0.839) 2.644 7.557 ( 4.331 2.054 2.667) 5.486 7.697 ( -0.155 -0.436 -0.341) 0.575 7.776 ( 0.255 0.537 -3.098) 3.155 7.887 ( 1.482 0.734 -0.029) 1.654 7.993 ( -0.370 -5.300 0.574) 5.344 8.138 ( 0.627 -3.367 -1.212) 3.634 8.190 ( -1.661 0.735 4.457) 4.813 8.569 ( -2.344 0.265 -2.320) 3.308 8.675 ( -0.523 -2.561 -0.768) 2.724 8.775 ( 15.912 1.295 -0.680) 15.979 9.408 ( 3.629 -3.796 2.613) 5.866 9.536 ( -4.238 -3.179 -1.628) 5.542 9.863 ( -5.160 -3.408 9.268) 11.142 10.027 ( -5.457 3.129 0.527) 6.312 10.413 ( 0.820 0.225 -1.938) 2.117 10.513 ( 2.030 2.396 -2.501) 4.015 10.885 ( -1.213 -4.432 3.891) 6.021 10.995 ( -2.369 -4.411 -3.785) 6.276 11.210 ( 0.347 0.928 3.977) 4.098 11.359 ( -4.455 3.605 -3.891) 6.927 11.803 ( 2.109 1.722 4.592) 5.339 11.878 ( -1.472 2.318 -1.079) 2.951 12.231 ( 0.110 2.111 0.322) 2.139 12.263 ( 0.384 1.654 -4.036) 4.379 12.340 ( 1.373 1.897 1.422) 2.740 12.472 ( 2.695 4.462 -0.676) 5.257 13.099 ( -1.721 -2.057 -2.163) 3.445 13.260 ( -0.931 -0.549 4.374) 4.506 13.482 ( -7.322 7.005 5.275) 11.424 13.616 ( -0.320 2.908 -1.904) 3.490 14.322 ( 7.109 -6.836 0.932) 9.907 14.368 ( 1.059 -8.592 -2.773) 9.090 14.696 ( 5.776 0.058 4.029) 7.043 14.804 ( -2.514 -2.081 -3.406) 4.718 14.937 ( -4.473 2.844 -3.308) 6.248 15.015 ( 0.095 3.895 -1.698) 4.250 15.318 ( -11.650 -7.160 4.669) 14.450 15.509 ( -17.291 -5.397 -7.683) 19.676 16.358 ( -6.163 -2.527 7.778) 10.240 16.497 ( -2.069 0.638 6.896) 7.228 16.763 ( 0.566 -0.980 -0.072) 1.134 16.881 ( 0.920 2.393 0.309) 2.582 17.698 ( -2.162 -5.517 -5.391) 8.011 17.718 ( 0.786 -9.270 3.439) 9.918 18.229 ( -3.368 4.406 -2.723) 6.178 18.303 ( -2.142 0.478 4.267) 4.798 ======================= Grid point 87 (35/108) ======================= q-point: ( 0.43 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 6.601 3.696 5.113) 9.131 1.286 ( -4.208 -4.072 -0.688) 5.896 1.427 ( -9.909 -3.489 -11.183) 15.343 1.537 ( -0.493 9.598 2.062) 9.829 1.659 ( 12.825 -4.393 -8.879) 16.205 2.041 ( 7.306 8.175 -2.192) 11.181 2.076 ( -2.536 1.937 -0.442) 3.221 2.151 ( 3.012 3.124 -1.958) 4.761 2.277 ( -7.793 2.897 -6.579) 10.602 2.310 ( 2.223 0.382 7.518) 7.849 2.439 ( -0.239 2.892 9.166) 9.614 2.592 ( -2.361 -0.964 -2.972) 3.916 2.748 ( 4.178 -2.091 2.511) 5.304 2.801 ( -6.370 3.989 1.351) 7.637 2.857 ( -2.217 -0.785 1.140) 2.613 3.017 ( 0.906 5.464 1.585) 5.761 3.154 ( 2.052 -1.287 6.255) 6.707 3.234 ( -4.298 0.445 1.633) 4.620 3.609 ( -0.130 1.997 -3.242) 3.809 3.713 ( 4.575 -6.267 -2.046) 8.024 3.871 ( -3.970 1.081 -1.236) 4.296 4.047 ( 0.996 6.648 -5.195) 8.496 4.541 ( 1.786 -0.173 -5.196) 5.497 4.623 ( -0.704 -0.195 -0.975) 1.218 4.752 ( 0.518 -2.746 0.700) 2.880 4.874 ( -1.234 -8.714 3.169) 9.354 4.884 ( 2.049 -6.171 1.474) 6.667 4.918 ( -3.710 -4.333 1.480) 5.893 5.020 ( 4.371 -3.168 0.689) 5.442 5.078 ( 1.079 1.893 2.100) 3.027 5.152 ( -1.590 -4.307 -2.432) 5.195 5.215 ( 0.022 -2.841 -0.089) 2.843 5.281 ( -3.023 -1.437 2.008) 3.904 5.309 ( 1.610 0.304 3.074) 3.483 5.504 ( -3.828 -0.375 -0.637) 3.898 5.598 ( -3.631 4.057 -4.410) 7.007 6.067 ( 0.291 -7.007 0.960) 7.079 6.186 ( 4.435 -3.558 -0.518) 5.710 6.301 ( -0.884 -4.151 1.205) 4.412 6.318 ( -1.115 -4.677 -0.011) 4.808 6.438 ( -0.729 1.731 -1.920) 2.686 6.486 ( 3.223 1.966 -0.127) 3.778 6.567 ( 4.144 3.886 -0.757) 5.731 6.745 ( 3.002 4.098 -1.624) 5.333 6.960 ( -2.194 -1.082 0.246) 2.458 7.126 ( 1.157 -1.534 -5.309) 5.646 7.225 ( 4.425 -2.864 0.073) 5.271 7.280 ( -1.348 -0.144 0.077) 1.358 7.473 ( -2.144 -2.141 2.485) 3.919 7.544 ( 2.224 0.250 -1.115) 2.500 7.675 ( 4.081 2.612 -1.254) 5.005 7.686 ( 1.745 1.035 -2.094) 2.915 7.752 ( -0.365 0.545 -3.455) 3.517 7.883 ( -2.176 1.867 0.330) 2.886 8.020 ( 1.609 -1.848 2.281) 3.348 8.062 ( -3.920 0.473 -0.164) 3.952 8.260 ( 0.527 -6.168 5.168) 8.065 8.522 ( -0.935 -0.290 -2.340) 2.537 8.673 ( 2.459 -2.970 0.565) 3.896 9.050 ( 12.365 -3.087 2.038) 12.906 9.375 ( -4.324 -8.688 -2.286) 9.971 9.576 ( 5.007 1.352 3.420) 6.213 9.792 ( -8.130 -1.883 5.410) 9.945 9.955 ( -2.667 -1.418 2.889) 4.180 10.412 ( 0.202 0.443 -1.883) 1.945 10.553 ( 3.044 4.436 1.246) 5.522 10.863 ( -2.576 -2.776 -2.732) 4.670 10.918 ( -1.766 -5.513 -4.629) 7.412 11.245 ( -1.760 2.436 -0.915) 3.141 11.307 ( 1.218 2.111 7.988) 8.351 11.865 ( 0.371 2.773 0.272) 2.810 11.877 ( 2.035 2.245 5.631) 6.394 12.218 ( -0.645 2.205 -2.758) 3.590 12.238 ( -0.894 2.605 -2.154) 3.497 12.372 ( 1.411 1.244 0.631) 1.984 12.526 ( 2.350 4.006 1.308) 4.825 13.071 ( 0.666 -0.478 -3.378) 3.476 13.225 ( -4.826 4.567 1.040) 6.726 13.395 ( -5.561 2.543 4.247) 7.445 13.608 ( 1.116 0.973 -2.444) 2.857 14.368 ( 1.054 -7.725 -3.088) 8.386 14.425 ( 2.170 -6.616 -1.084) 7.046 14.692 ( -4.306 -0.913 -8.056) 9.180 14.812 ( 2.228 -3.437 0.100) 4.097 14.887 ( -0.311 -0.072 1.818) 1.846 15.001 ( -3.646 0.820 -2.382) 4.432 15.150 ( 0.845 0.107 2.330) 2.481 15.284 ( -6.466 2.127 2.821) 7.368 16.306 ( -4.460 -0.691 5.698) 7.268 16.513 ( -1.347 0.738 7.164) 7.326 16.747 ( -1.206 -0.436 -3.595) 3.817 16.902 ( 0.655 2.275 1.013) 2.575 17.594 ( -2.439 -6.444 -7.924) 10.500 17.751 ( -0.137 -2.940 -0.256) 2.954 18.187 ( 0.032 2.378 -0.198) 2.387 18.298 ( -1.133 1.397 2.862) 3.380 ======================= Grid point 88 (36/108) ======================= q-point: (-0.43 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -15.944 0.636 -3.431) 16.321 1.094 ( -18.657 -4.095 -3.303) 19.385 1.330 ( 3.645 1.489 2.462) 4.644 1.650 ( 5.720 6.462 0.886) 8.675 1.832 ( 5.663 -1.667 -3.615) 6.923 1.974 ( -3.846 -2.923 -3.281) 5.839 2.010 ( -2.929 5.688 -1.921) 6.680 2.091 ( -7.024 3.392 -7.266) 10.661 2.209 ( 3.512 5.040 -9.630) 11.423 2.375 ( 2.462 3.069 6.187) 7.332 2.477 ( -3.557 4.201 5.597) 7.850 2.548 ( 1.200 -0.633 -5.089) 5.267 2.663 ( -7.261 4.427 2.639) 8.904 2.805 ( -0.500 0.843 4.549) 4.653 2.902 ( 3.913 -3.616 4.808) 7.177 3.082 ( 0.505 3.339 3.344) 4.753 3.136 ( -0.902 -0.844 -0.560) 1.357 3.290 ( 5.395 0.093 5.885) 7.984 3.635 ( 4.452 3.915 -2.626) 6.484 3.717 ( -0.978 -5.744 -2.722) 6.431 3.885 ( 2.993 0.562 0.891) 3.173 4.073 ( 6.323 6.004 -5.341) 10.225 4.558 ( 2.346 -3.704 -1.244) 4.557 4.611 ( 0.912 -0.968 -0.925) 1.620 4.727 ( -2.774 -2.770 -1.143) 4.084 4.841 ( -1.810 -2.030 -3.561) 4.481 4.888 ( -2.024 -1.899 -1.516) 3.163 4.942 ( 0.324 -8.014 7.938) 11.284 5.048 ( -2.010 -2.761 5.072) 6.115 5.111 ( 0.852 -0.972 1.645) 2.092 5.129 ( 1.882 -4.450 -1.901) 5.193 5.200 ( -0.757 -4.788 -0.352) 4.861 5.279 ( -3.056 0.838 0.745) 3.256 5.353 ( 5.418 -4.696 -0.551) 7.191 5.409 ( -3.454 3.868 -0.696) 5.232 5.626 ( 6.837 2.867 -2.382) 7.788 6.016 ( -5.312 -4.044 -0.468) 6.693 6.230 ( -0.096 -4.880 -0.246) 4.887 6.284 ( -3.791 -4.184 1.911) 5.961 6.320 ( 2.961 -2.755 -0.097) 4.046 6.395 ( -1.610 0.215 -1.871) 2.478 6.535 ( 2.161 2.089 0.201) 3.013 6.637 ( 3.265 0.196 -0.101) 3.272 6.755 ( -0.211 2.724 -1.530) 3.132 6.911 ( -3.241 -1.586 -0.519) 3.646 7.133 ( 3.338 -1.083 -5.453) 6.484 7.220 ( -4.437 -2.271 0.275) 4.992 7.285 ( 1.829 -0.033 -0.046) 1.830 7.459 ( -1.813 -2.498 3.456) 4.634 7.537 ( -2.680 0.456 -2.220) 3.510 7.644 ( -4.411 4.735 -3.579) 7.395 7.670 ( -0.059 -1.063 -1.788) 2.081 7.806 ( 1.948 0.097 -3.221) 3.765 7.840 ( 2.875 1.074 -2.268) 3.816 8.019 ( -2.238 0.751 2.240) 3.255 8.065 ( 1.262 2.716 2.892) 4.163 8.254 ( -3.809 -6.110 5.949) 9.340 8.523 ( 2.420 -2.125 -1.837) 3.707 8.744 ( 2.156 -4.024 3.729) 5.894 9.155 ( -1.086 -14.691 -2.257) 14.903 9.393 ( 7.214 0.884 3.047) 7.880 9.565 ( -7.485 1.758 -3.191) 8.325 9.777 ( 3.178 -3.335 7.950) 9.189 9.956 ( -1.236 -8.720 6.151) 10.742 10.394 ( -0.465 0.780 -2.225) 2.403 10.636 ( 3.853 6.008 4.748) 8.572 10.768 ( -1.568 -0.837 -12.185) 12.314 10.887 ( 0.570 -3.583 -2.143) 4.213 11.220 ( -1.175 1.305 3.938) 4.312 11.401 ( 1.305 -1.019 8.463) 8.623 11.906 ( 3.830 6.905 2.267) 8.215 11.939 ( 1.478 2.493 3.715) 4.712 12.181 ( -1.155 4.638 -2.793) 5.536 12.204 ( -1.222 2.404 -1.877) 3.286 12.396 ( 0.230 0.809 2.014) 2.183 12.554 ( 0.094 3.876 0.264) 3.886 13.054 ( -1.609 2.214 -4.986) 5.688 13.151 ( -0.686 3.174 -1.395) 3.534 13.335 ( -3.671 0.646 3.003) 4.786 13.623 ( 1.838 1.191 -1.608) 2.717 14.329 ( -4.891 -6.302 -4.092) 8.965 14.394 ( -0.356 -6.814 -2.410) 7.237 14.582 ( -4.046 -4.489 -3.835) 7.157 14.719 ( -5.030 5.015 -4.671) 8.501 14.934 ( 1.655 2.789 -0.421) 3.270 14.994 ( 3.433 -1.812 -0.063) 3.883 15.214 ( 1.172 0.369 4.131) 4.310 15.436 ( 18.588 -3.394 5.202) 19.598 16.279 ( -2.378 0.513 5.398) 5.921 16.537 ( -1.468 0.402 7.706) 7.855 16.680 ( -2.698 -0.433 -5.301) 5.964 16.909 ( -0.159 2.448 -0.186) 2.460 17.518 ( -1.745 -4.585 -4.846) 6.896 17.716 ( -0.943 1.579 -5.473) 5.774 18.221 ( 2.276 -0.802 2.785) 3.685 18.297 ( -0.400 1.374 1.051) 1.776 ======================= Grid point 89 (37/108) ======================= q-point: (-0.29 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -13.005 1.614 11.933) 17.724 0.750 ( -18.957 0.214 5.054) 19.620 1.255 ( -14.117 13.556 2.441) 19.723 1.681 ( -2.875 2.707 1.954) 4.405 1.751 ( -4.568 5.258 -6.742) 9.693 1.880 ( -6.332 1.437 -9.433) 11.452 1.977 ( 1.587 4.946 -1.939) 5.544 2.076 ( 6.357 -0.193 -3.988) 7.507 2.229 ( 6.284 -2.819 -6.635) 9.563 2.376 ( -6.585 -0.495 4.890) 8.217 2.432 ( -0.882 1.880 -2.599) 3.327 2.549 ( 0.309 1.308 -0.113) 1.348 2.660 ( 3.596 4.810 3.060) 6.740 2.818 ( -2.872 0.400 8.045) 8.552 2.938 ( -2.339 -0.693 5.131) 5.681 3.101 ( 3.292 2.041 2.027) 4.372 3.221 ( 6.339 -4.002 -0.020) 7.496 3.409 ( 4.325 -0.609 1.344) 4.569 3.657 ( 1.181 -6.745 -4.746) 8.332 3.768 ( 7.711 3.899 -1.751) 8.816 3.903 ( -1.034 -0.050 0.516) 1.156 4.186 ( 8.002 2.058 -3.078) 8.818 4.513 ( -7.492 -4.202 0.507) 8.605 4.648 ( -3.186 -4.250 -3.550) 6.388 4.680 ( 5.431 -3.089 0.519) 6.270 4.816 ( 3.758 2.130 -3.494) 5.556 4.890 ( -0.195 -0.183 0.923) 0.961 4.947 ( -3.444 -2.418 0.947) 4.314 5.017 ( -4.198 -0.549 3.071) 5.230 5.114 ( -1.284 -2.372 0.018) 2.697 5.147 ( 2.049 -3.510 2.885) 4.984 5.198 ( 0.093 -0.890 -0.102) 0.901 5.255 ( 1.555 -3.611 0.561) 3.971 5.382 ( -0.006 0.839 1.882) 2.060 5.489 ( 8.554 -4.030 -0.976) 9.506 5.752 ( 7.955 -1.224 -2.018) 8.298 5.904 ( -6.289 -1.152 0.122) 6.395 6.164 ( -4.980 0.501 -2.649) 5.663 6.207 ( -6.308 -5.245 1.266) 8.301 6.372 ( 0.264 -7.519 0.258) 7.528 6.397 ( 3.699 -0.012 0.520) 3.736 6.563 ( 0.662 -0.780 -1.324) 1.673 6.654 ( -0.027 -0.008 -4.120) 4.120 6.734 ( -1.432 -0.008 0.778) 1.630 6.867 ( -1.839 -1.075 3.096) 3.758 7.073 ( -7.117 -4.249 -0.720) 8.320 7.222 ( 4.809 2.209 -3.431) 6.307 7.300 ( 0.138 2.516 -0.656) 2.604 7.410 ( -6.297 -2.359 -0.665) 6.757 7.461 ( -3.058 2.729 -1.288) 4.297 7.522 ( -4.062 4.697 -1.170) 6.319 7.690 ( 2.311 -0.397 0.149) 2.349 7.774 ( -0.581 0.330 -4.906) 4.952 7.892 ( -0.004 -0.553 0.513) 0.754 7.989 ( -1.591 0.244 1.071) 1.933 8.100 ( 0.383 4.603 2.435) 5.221 8.259 ( 0.260 -8.292 6.172) 10.340 8.548 ( 0.456 -2.968 -0.962) 3.153 8.763 ( -1.782 -6.330 1.284) 6.700 9.086 ( -4.876 -12.452 -3.540) 13.833 9.384 ( -7.743 -2.475 -4.351) 9.221 9.563 ( 6.907 1.676 4.189) 8.250 9.891 ( 1.682 -7.641 9.775) 12.521 9.973 ( -0.568 -10.849 3.833) 11.520 10.376 ( -0.275 2.326 -0.663) 2.435 10.662 ( 1.065 1.354 -16.400) 16.490 10.747 ( 3.434 2.595 6.688) 7.954 10.917 ( 3.452 -2.238 -0.141) 4.116 11.247 ( -0.504 -0.360 8.437) 8.460 11.437 ( -1.311 -2.949 3.014) 4.416 11.951 ( 0.407 4.876 -4.154) 6.419 12.064 ( 7.402 5.869 9.885) 13.672 12.158 ( 1.759 9.972 -2.200) 10.363 12.177 ( -0.243 2.076 -1.806) 2.763 12.406 ( -0.599 1.783 2.451) 3.090 12.538 ( -1.104 3.743 -1.483) 4.175 12.952 ( -3.941 2.467 -6.118) 7.684 13.185 ( 2.682 1.455 2.335) 3.842 13.310 ( -0.678 1.010 2.004) 2.344 13.647 ( 1.272 2.688 0.119) 2.976 14.205 ( -4.540 -5.523 -4.075) 8.229 14.376 ( -1.543 -7.665 -0.302) 7.825 14.498 ( -2.568 -0.546 -2.082) 3.351 14.649 ( -0.676 4.171 -1.548) 4.500 14.942 ( 0.099 4.700 -0.632) 4.743 15.031 ( 1.588 -0.369 -1.522) 2.230 15.319 ( 6.749 -0.189 1.288) 6.874 15.821 ( 19.535 -11.945 0.782) 22.911 16.299 ( 0.135 0.506 7.918) 7.935 16.556 ( -2.108 -0.878 7.504) 7.844 16.608 ( -1.435 -0.666 -2.290) 2.783 16.901 ( 0.085 2.633 -1.261) 2.920 17.448 ( -3.545 -1.007 -2.998) 4.751 17.680 ( 1.263 3.366 -4.430) 5.705 18.269 ( 0.215 1.014 1.231) 1.609 18.312 ( 2.138 -1.605 1.379) 3.009 ======================= Grid point 90 (38/108) ======================= q-point: (-0.14 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -7.571 13.502 9.382) 18.102 0.687 ( -3.069 4.900 33.421) 33.918 0.985 ( -16.033 19.241 12.068) 27.801 1.549 ( -7.653 7.213 -3.357) 11.039 1.650 ( -4.213 5.171 -8.060) 10.462 1.762 ( -1.344 1.739 -2.181) 3.097 1.994 ( 4.190 2.176 -8.851) 10.032 2.146 ( 3.225 -0.175 -1.691) 3.646 2.291 ( -0.648 -5.015 -4.598) 6.835 2.305 ( 0.953 -0.518 0.442) 1.171 2.407 ( -0.182 1.838 0.464) 1.905 2.574 ( 1.182 -0.156 1.367) 1.813 2.677 ( -2.360 3.704 -1.320) 4.586 2.876 ( 2.753 -1.297 10.191) 10.635 2.951 ( -0.672 2.365 5.207) 5.758 3.167 ( 1.238 2.699 3.039) 4.249 3.317 ( 4.559 -7.593 -1.424) 8.971 3.443 ( 0.287 -2.284 -3.619) 4.290 3.663 ( 3.440 -9.571 -5.381) 11.507 3.858 ( -2.931 -5.701 0.021) 6.411 3.926 ( 9.564 4.396 -1.726) 10.666 4.277 ( 1.665 -1.168 -1.033) 2.281 4.387 ( -2.843 1.268 -1.263) 3.359 4.588 ( -0.678 -0.025 -3.547) 3.612 4.713 ( -12.123 2.794 -1.579) 12.541 4.775 ( 4.620 -0.940 0.415) 4.733 4.921 ( 4.348 -2.811 2.427) 5.718 4.952 ( -0.076 -2.652 0.269) 2.667 5.023 ( 2.759 -2.129 1.288) 3.715 5.079 ( -2.112 1.694 0.225) 2.716 5.161 ( -2.518 -0.066 0.875) 2.666 5.197 ( 1.793 -0.664 -1.325) 2.326 5.351 ( 6.032 -7.435 1.858) 9.753 5.413 ( 1.138 -4.440 2.423) 5.185 5.624 ( 6.061 -1.119 1.037) 6.250 5.803 ( -2.831 0.334 1.124) 3.065 5.881 ( 5.266 -2.316 -1.960) 6.078 6.057 ( -6.160 -3.070 -3.395) 7.674 6.087 ( -5.173 -1.416 2.217) 5.803 6.324 ( -7.519 -8.693 0.978) 11.535 6.470 ( 2.862 -2.032 0.409) 3.534 6.511 ( -1.993 -2.861 -7.295) 8.086 6.636 ( -0.185 1.921 -2.391) 3.072 6.684 ( -4.363 1.080 -1.712) 4.809 6.889 ( 0.581 -1.601 6.095) 6.329 6.957 ( -3.984 1.118 0.596) 4.181 7.221 ( -5.687 1.226 -0.059) 5.818 7.275 ( 0.998 0.067 -4.990) 5.089 7.344 ( -0.180 0.631 -0.930) 1.138 7.372 ( -2.413 4.936 -1.462) 5.685 7.534 ( -0.089 4.690 4.576) 6.553 7.724 ( -0.324 -5.922 -4.469) 7.426 7.732 ( 1.643 1.485 0.481) 2.266 7.880 ( -0.088 4.441 2.353) 5.027 7.990 ( 1.005 -2.360 -0.011) 2.565 8.103 ( -1.641 3.463 2.149) 4.393 8.256 ( -7.618 -13.970 0.651) 15.926 8.523 ( -1.353 -2.133 -1.467) 2.921 8.711 ( -3.452 -7.205 -2.770) 8.456 8.881 ( -12.195 2.248 -3.749) 12.954 9.286 ( -1.399 -4.630 -0.788) 4.900 9.675 ( 2.648 1.065 2.922) 4.084 9.918 ( -3.410 -16.140 5.934) 17.531 10.021 ( 2.137 1.087 5.543) 6.039 10.378 ( 0.476 2.874 0.439) 2.946 10.587 ( 1.230 1.669 -12.895) 13.061 10.839 ( 2.966 -4.993 1.526) 6.004 10.984 ( 2.824 -1.800 1.366) 3.617 11.309 ( 0.052 -0.726 11.880) 11.902 11.409 ( -2.252 -2.865 -0.653) 3.703 11.897 ( -1.573 3.968 -7.774) 8.869 12.119 ( -1.131 2.493 -1.883) 3.323 12.169 ( -0.332 1.626 2.710) 3.177 12.277 ( 5.899 9.192 -9.029) 14.171 12.411 ( -0.783 3.062 -0.089) 3.162 12.508 ( -0.356 3.301 -4.511) 5.601 12.937 ( 5.133 -0.111 7.860) 9.388 13.240 ( -0.252 -1.209 3.382) 3.601 13.377 ( 6.568 5.680 8.218) 11.955 13.668 ( -0.068 3.124 2.886) 4.253 14.133 ( -0.900 -5.624 -2.469) 6.208 14.354 ( -0.509 -8.877 2.261) 9.175 14.474 ( 0.687 1.392 0.102) 1.556 14.682 ( 3.937 2.466 5.236) 7.000 14.945 ( 0.636 4.638 1.343) 4.870 15.044 ( 1.195 0.546 -2.122) 2.495 15.419 ( 4.282 -1.187 -2.190) 4.954 16.062 ( 8.503 -15.131 -6.658) 18.590 16.382 ( 1.878 -2.343 9.051) 9.536 16.565 ( -2.854 -5.296 10.309) 11.936 16.624 ( 2.266 -2.553 3.996) 5.256 16.905 ( 1.230 0.623 -1.733) 2.214 17.377 ( -1.473 3.290 0.402) 3.627 17.713 ( 3.720 3.095 0.691) 4.888 18.264 ( 0.050 1.927 -0.643) 2.032 18.366 ( 1.778 -2.659 2.013) 3.779 ======================= Grid point 91 (39/108) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -1.849 16.955 8.109) 18.885 1.066 ( 2.519 11.012 27.574) 29.798 1.352 ( 4.954 12.688 13.977) 19.516 1.584 ( -1.112 9.954 -0.175) 10.018 1.666 ( -4.443 7.798 -6.730) 11.218 1.914 ( 5.516 10.304 -5.360) 12.858 1.978 ( 1.973 -4.115 -5.565) 7.198 2.143 ( -2.311 2.775 -3.792) 5.237 2.240 ( 1.919 0.872 -1.240) 2.446 2.326 ( 1.091 5.476 -2.256) 6.022 2.477 ( 0.867 -0.610 4.784) 4.900 2.597 ( -0.100 1.322 2.376) 2.721 2.706 ( 0.484 3.411 -5.122) 6.172 2.841 ( -1.703 -7.333 6.224) 9.767 3.032 ( -1.876 1.877 1.466) 3.032 3.169 ( -0.901 -8.581 2.450) 8.970 3.195 ( -1.506 -5.180 -6.078) 8.126 3.295 ( -4.608 -1.980 1.469) 5.226 3.482 ( 0.504 -10.487 3.266) 10.995 3.636 ( 0.436 -4.418 -5.384) 6.978 4.182 ( 2.674 6.695 -0.315) 7.216 4.264 ( 1.123 2.072 -0.380) 2.387 4.415 ( 0.210 -4.567 -6.737) 8.142 4.498 ( -2.609 -2.294 -7.673) 8.423 4.631 ( 0.952 -0.371 4.008) 4.136 4.783 ( 1.142 -2.986 3.665) 4.863 4.900 ( -0.184 -1.025 0.121) 1.048 4.949 ( 1.281 1.568 -0.013) 2.025 4.989 ( -1.122 -3.550 0.506) 3.757 5.071 ( -1.058 -7.068 -1.275) 7.260 5.105 ( 0.056 -1.069 1.363) 1.733 5.202 ( -1.263 -6.546 2.365) 7.074 5.255 ( -0.085 2.260 -0.694) 2.365 5.383 ( 1.587 -2.184 4.221) 5.010 5.618 ( 1.029 -8.067 -0.921) 8.184 5.795 ( -1.531 -0.951 1.156) 2.142 5.803 ( 2.280 -7.210 -1.109) 7.643 5.934 ( -2.366 -1.498 -2.942) 4.061 6.102 ( 3.155 0.815 3.364) 4.684 6.185 ( -0.812 2.859 2.276) 3.743 6.347 ( -1.596 -4.542 -1.544) 5.056 6.488 ( 1.104 0.344 -5.799) 5.913 6.637 ( -0.727 1.871 -0.576) 2.088 6.647 ( -0.719 1.981 -0.792) 2.252 6.928 ( 1.658 -0.950 5.025) 5.376 7.044 ( 0.705 3.012 0.661) 3.163 7.151 ( -1.770 -0.573 0.239) 1.875 7.259 ( 3.380 2.326 -2.567) 4.840 7.401 ( -0.785 3.595 -0.474) 3.710 7.477 ( 3.399 5.040 -0.988) 6.159 7.535 ( -4.232 -0.413 -2.819) 5.101 7.657 ( -0.061 0.601 4.921) 4.958 7.815 ( 0.322 3.208 -1.335) 3.489 7.885 ( 0.872 -5.995 0.230) 6.062 7.943 ( -4.757 -3.227 -3.404) 6.681 8.090 ( 0.444 2.038 6.000) 6.352 8.188 ( 2.962 6.161 0.432) 6.850 8.454 ( 0.466 -3.637 -2.176) 4.264 8.585 ( 0.901 -3.856 1.771) 4.338 8.868 ( -4.670 5.518 -6.236) 9.547 9.216 ( 2.284 -2.912 4.162) 5.569 9.609 ( -0.740 -8.202 -1.538) 8.378 9.806 ( -1.745 -1.018 8.086) 8.334 10.102 ( 0.601 0.018 5.309) 5.343 10.437 ( 1.341 2.332 -5.033) 5.707 10.554 ( -0.367 0.743 -6.635) 6.686 10.777 ( 1.426 -3.795 -3.329) 5.245 10.972 ( 0.171 -3.727 3.016) 4.798 11.296 ( -2.498 -2.163 -1.583) 3.664 11.373 ( 0.337 -1.248 12.411) 12.478 11.889 ( -2.313 4.389 -8.187) 9.573 12.107 ( -2.264 2.923 -6.889) 7.819 12.216 ( 1.416 1.045 1.500) 2.312 12.383 ( -1.328 2.373 -8.006) 8.455 12.416 ( -2.563 5.277 -0.086) 5.867 12.535 ( 0.850 3.827 -3.019) 4.948 13.050 ( 4.372 -0.405 4.235) 6.100 13.159 ( -2.481 -2.553 0.938) 3.681 13.644 ( 2.442 2.649 13.381) 13.857 13.756 ( -0.608 4.144 1.296) 4.384 14.040 ( 1.696 -3.276 -0.653) 3.746 14.181 ( -0.934 -7.323 0.150) 7.384 14.512 ( 2.281 -1.313 2.178) 3.416 14.708 ( 0.728 -4.025 3.573) 5.431 15.033 ( 0.528 -3.338 -0.527) 3.420 15.153 ( 1.770 8.038 3.176) 8.822 15.420 ( -1.989 1.615 -5.509) 6.076 15.725 ( -0.900 -17.088 -5.462) 17.962 16.365 ( -1.956 -1.816 5.595) 6.199 16.540 ( -2.347 1.948 4.380) 5.337 16.615 ( 2.390 -4.230 2.577) 5.499 16.903 ( 1.233 0.115 -3.284) 3.510 17.438 ( 0.712 1.305 1.249) 1.942 17.735 ( -0.685 -3.700 -1.989) 4.256 18.303 ( 0.541 1.733 0.701) 1.946 18.384 ( 0.274 2.369 1.727) 2.945 ======================= Grid point 92 (40/108) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -1.026 17.185 9.499) 19.663 1.245 ( 3.642 11.664 12.661) 17.596 1.535 ( -4.735 4.248 -0.132) 6.362 1.601 ( 8.373 2.597 4.160) 9.703 1.705 ( 11.843 10.944 4.850) 16.839 1.938 ( -2.802 -3.587 -4.182) 6.181 1.998 ( 5.380 11.831 -1.212) 13.053 2.100 ( 1.846 5.225 -4.132) 6.912 2.265 ( 0.619 1.063 -2.286) 2.597 2.351 ( 1.180 3.917 3.905) 5.655 2.515 ( 1.320 0.244 3.919) 4.143 2.624 ( 0.357 -0.421 2.861) 2.914 2.655 ( -1.406 3.795 -7.920) 8.894 2.831 ( -2.638 -4.744 4.685) 7.170 2.993 ( -2.914 2.544 1.249) 4.065 3.098 ( -3.352 -6.431 -1.195) 7.350 3.187 ( -0.163 -6.093 -2.542) 6.604 3.221 ( -3.702 -2.330 2.283) 4.934 3.497 ( -0.066 -8.370 0.937) 8.422 3.653 ( 4.289 -3.693 -5.586) 7.953 4.118 ( -6.015 3.510 2.263) 7.323 4.237 ( -5.695 1.501 -5.132) 7.812 4.396 ( 5.694 -0.138 -5.504) 7.921 4.486 ( 3.063 -7.315 -6.519) 10.266 4.697 ( 2.522 -3.059 5.357) 6.664 4.792 ( -3.436 -1.352 3.871) 5.350 4.888 ( -2.764 -4.121 -2.247) 5.447 4.931 ( -3.452 -0.459 0.546) 3.525 4.990 ( 1.345 -1.398 1.082) 2.221 5.033 ( 0.746 -1.845 -0.563) 2.068 5.128 ( 1.236 -2.681 0.302) 2.968 5.186 ( -2.318 -2.958 2.052) 4.282 5.226 ( -2.022 0.989 -0.376) 2.283 5.408 ( -2.414 -0.515 4.355) 5.006 5.608 ( -0.769 -5.463 -0.193) 5.520 5.745 ( -4.551 -6.814 -1.830) 8.396 5.834 ( 1.583 -5.450 0.620) 5.709 5.933 ( 3.656 -2.381 -1.098) 4.499 6.173 ( 3.271 -0.494 0.144) 3.311 6.236 ( 2.279 0.245 2.186) 3.167 6.344 ( 2.931 -1.908 -0.142) 3.500 6.466 ( 1.751 1.566 -5.839) 6.294 6.634 ( 1.648 2.507 -1.923) 3.563 6.665 ( 1.847 4.171 0.817) 4.634 6.977 ( -0.469 -2.005 4.004) 4.502 7.024 ( -0.864 2.014 1.567) 2.694 7.167 ( 2.355 -1.725 -2.132) 3.615 7.359 ( 2.824 4.899 -0.512) 5.677 7.373 ( 3.398 0.405 -1.313) 3.665 7.497 ( -0.548 0.380 3.379) 3.444 7.542 ( 3.780 4.343 -1.723) 6.010 7.668 ( -0.532 -0.574 2.180) 2.317 7.794 ( -0.579 0.672 -2.761) 2.900 7.861 ( -1.694 -1.101 -1.820) 2.720 7.938 ( 3.550 -6.880 1.551) 7.896 8.040 ( -3.332 1.966 -3.255) 5.056 8.271 ( -1.264 1.346 4.990) 5.321 8.496 ( 4.746 -3.226 0.770) 5.790 8.613 ( 0.897 -1.599 2.605) 3.186 8.766 ( -0.421 5.242 -7.672) 9.301 9.283 ( 1.891 -1.985 3.848) 4.725 9.567 ( -2.066 -3.909 -3.330) 5.535 9.804 ( -4.289 -3.892 8.978) 10.684 10.117 ( -2.359 -0.065 3.104) 3.899 10.433 ( 1.944 1.862 -4.575) 5.308 10.515 ( 0.732 -0.761 -5.573) 5.672 10.791 ( 0.435 -3.762 1.684) 4.145 10.971 ( -1.985 -3.737 1.208) 4.401 11.242 ( -1.736 0.725 -1.466) 2.385 11.437 ( -1.180 -0.163 7.551) 7.645 11.824 ( 0.139 3.594 -3.902) 5.307 12.009 ( -2.845 3.684 -7.025) 8.427 12.245 ( 1.143 1.056 -0.339) 1.593 12.322 ( -0.701 1.042 -4.280) 4.460 12.386 ( -0.676 4.726 1.306) 4.950 12.547 ( 2.117 5.275 -2.549) 6.229 13.108 ( -1.278 -1.446 -0.403) 1.972 13.165 ( 3.650 -0.808 3.494) 5.117 13.690 ( -4.715 4.494 7.801) 10.163 13.737 ( -2.550 4.442 1.876) 5.454 14.095 ( 4.430 -4.098 0.460) 6.053 14.181 ( 0.798 -8.334 -0.219) 8.375 14.572 ( 1.484 -3.221 4.846) 6.005 14.742 ( 1.361 -3.441 1.776) 4.104 15.012 ( -3.095 -4.977 -1.458) 6.039 15.163 ( -1.850 3.690 -2.518) 4.835 15.340 ( -3.987 1.638 1.195) 4.473 15.602 ( -8.002 -10.986 -6.578) 15.099 16.352 ( -3.262 -1.584 5.333) 6.449 16.527 ( -1.917 2.307 3.991) 4.992 16.679 ( 2.730 -3.812 1.913) 5.064 16.909 ( 1.630 1.029 -2.754) 3.362 17.492 ( 2.852 -2.786 4.320) 5.879 17.675 ( -2.924 -5.559 -5.751) 8.516 18.319 ( -0.276 1.942 3.029) 3.608 18.373 ( -1.932 3.592 -0.319) 4.092 ======================= Grid point 93 (41/108) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 5.215 13.553 10.672) 18.022 1.334 ( -2.521 2.228 3.328) 4.733 1.466 ( 2.284 3.955 -5.183) 6.908 1.708 ( -4.429 -0.499 -6.120) 7.571 1.750 ( 1.381 9.821 -5.362) 11.274 2.027 ( 9.588 4.004 2.569) 10.703 2.110 ( 3.392 7.002 11.339) 13.752 2.146 ( 6.413 5.826 -3.965) 9.529 2.238 ( -0.368 3.096 -1.076) 3.298 2.398 ( -0.276 -0.359 6.603) 6.619 2.529 ( -6.326 3.976 -4.176) 8.559 2.584 ( 2.380 -0.742 1.250) 2.789 2.657 ( 2.219 -0.087 -0.406) 2.258 2.847 ( 1.793 -1.170 3.149) 3.808 2.945 ( -4.456 3.789 2.813) 6.490 3.070 ( -1.381 -3.220 3.276) 4.797 3.114 ( -2.146 0.009 -2.598) 3.370 3.236 ( 2.282 -3.672 -0.575) 4.361 3.517 ( 2.697 -5.626 -0.938) 6.309 3.672 ( 0.697 -1.550 -2.880) 3.345 4.025 ( -6.931 1.678 -1.271) 7.244 4.128 ( -0.652 1.348 -2.547) 2.955 4.453 ( 2.896 -7.117 -2.817) 8.184 4.504 ( 4.477 -7.208 -6.354) 10.601 4.719 ( -6.886 -4.797 1.240) 8.484 4.754 ( -3.236 -6.577 1.812) 7.551 4.781 ( -1.744 -0.069 3.397) 3.819 4.900 ( -1.305 -0.895 0.885) 1.813 5.024 ( 2.719 -1.709 -2.220) 3.904 5.050 ( -1.496 0.923 -0.113) 1.762 5.127 ( 0.643 0.274 -0.886) 1.129 5.161 ( -1.839 -1.529 -0.045) 2.392 5.237 ( 2.323 -1.328 2.776) 3.855 5.355 ( -5.800 0.518 4.295) 7.236 5.558 ( -5.631 -4.935 0.171) 7.489 5.662 ( -1.049 -4.019 -3.629) 5.515 5.881 ( 2.692 -5.999 1.474) 6.738 6.016 ( 5.358 -4.167 -0.402) 6.800 6.209 ( 0.488 -3.850 -0.857) 3.974 6.247 ( -0.584 -3.160 0.111) 3.215 6.417 ( 4.483 -1.664 -2.365) 5.335 6.502 ( 3.892 4.142 -1.134) 5.795 6.648 ( 0.898 5.106 -1.127) 5.305 6.730 ( 4.390 3.888 1.618) 6.083 6.973 ( -1.639 -1.892 2.040) 3.229 7.054 ( 2.965 -1.005 -0.410) 3.157 7.168 ( -0.006 -1.036 -3.515) 3.665 7.322 ( -2.308 1.705 -1.468) 3.224 7.447 ( -0.703 -2.517 2.888) 3.895 7.553 ( 1.182 2.544 -2.659) 3.865 7.581 ( 5.196 0.473 3.822) 6.467 7.697 ( 2.548 0.584 -1.830) 3.192 7.776 ( -0.660 -0.849 -1.439) 1.796 7.874 ( 3.653 -2.673 2.386) 5.117 7.952 ( -1.608 1.975 -1.737) 3.083 8.038 ( 3.489 -4.954 1.988) 6.377 8.215 ( -5.264 0.959 0.792) 5.409 8.543 ( 0.712 -2.687 -0.302) 2.796 8.592 ( -2.766 -5.541 -3.747) 7.238 8.844 ( 8.428 5.431 3.018) 10.471 9.307 ( -0.619 -4.517 -1.374) 4.762 9.530 ( 0.535 1.409 0.419) 1.565 9.775 ( -5.030 -5.669 7.884) 10.936 10.053 ( -5.237 -0.180 -1.468) 5.442 10.440 ( 1.085 1.494 -3.025) 3.544 10.525 ( 3.867 -0.991 -2.798) 4.875 10.803 ( -1.510 -3.413 4.658) 5.969 10.917 ( -2.959 -3.206 -3.317) 5.481 11.236 ( 0.255 1.721 3.656) 4.049 11.417 ( -3.089 2.215 -0.521) 3.836 11.853 ( 2.914 3.218 2.978) 5.265 11.936 ( -1.477 3.311 -2.821) 4.593 12.241 ( 0.052 -0.101 -3.267) 3.269 12.313 ( 0.554 2.551 0.380) 2.638 12.399 ( 0.867 3.427 0.831) 3.632 12.574 ( 2.462 5.288 -1.632) 6.057 13.084 ( 0.307 0.307 -2.800) 2.834 13.251 ( 2.676 -0.131 3.463) 4.378 13.607 ( -8.334 5.037 4.678) 10.803 13.687 ( -3.369 4.160 -0.340) 5.364 14.196 ( 3.949 -6.243 -0.082) 7.387 14.204 ( 3.884 -6.844 0.605) 7.893 14.618 ( -0.206 -6.327 6.096) 8.788 14.769 ( -0.425 -2.256 -4.662) 5.196 14.891 ( -5.090 -6.564 -1.844) 8.509 15.115 ( -1.329 4.161 -0.076) 4.369 15.265 ( -7.232 1.934 0.224) 7.489 15.405 ( -7.510 -3.118 -3.751) 8.955 16.325 ( -3.239 -0.622 4.697) 5.739 16.527 ( -1.087 2.357 4.366) 5.079 16.727 ( 1.790 -2.902 -0.724) 3.485 16.925 ( 1.717 1.559 -1.779) 2.922 17.561 ( -0.879 -5.431 -2.332) 5.975 17.595 ( 1.005 -5.093 0.963) 5.280 18.316 ( -2.856 4.373 -1.801) 5.525 18.329 ( -1.010 2.196 2.484) 3.466 ======================= Grid point 94 (42/108) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.286 -0.441 8.292) 8.309 1.214 ( -5.042 9.465 -1.268) 10.798 1.391 ( -8.486 1.211 -12.315) 15.004 1.628 ( 6.175 0.601 -7.476) 9.715 1.779 ( 3.247 12.363 4.803) 13.655 2.094 ( -4.391 4.095 -3.886) 7.152 2.165 ( 2.440 3.698 2.375) 5.027 2.247 ( 1.566 3.451 -9.467) 10.197 2.300 ( 4.227 -1.160 6.843) 8.126 2.394 ( -3.895 7.197 -2.063) 8.440 2.455 ( 1.879 0.401 6.744) 7.012 2.595 ( 1.087 -0.691 -1.222) 1.776 2.733 ( 3.806 1.924 3.748) 5.678 2.842 ( -6.413 2.760 0.266) 6.987 2.897 ( -1.667 1.079 4.290) 4.728 3.056 ( -0.366 -0.419 3.078) 3.128 3.133 ( 1.899 -0.933 0.104) 2.119 3.269 ( 1.325 2.737 0.530) 3.087 3.586 ( 5.614 -5.197 -2.107) 7.935 3.667 ( 0.301 1.674 0.291) 1.725 3.881 ( -5.272 -0.341 -2.316) 5.768 4.140 ( 1.674 2.219 -2.644) 3.836 4.470 ( -0.291 -10.643 -1.906) 10.816 4.575 ( 6.573 -8.454 -0.213) 10.711 4.601 ( -4.118 -7.703 -2.515) 9.090 4.703 ( -1.348 -1.401 2.809) 3.417 4.816 ( 1.130 -2.602 3.262) 4.323 4.874 ( -3.498 -2.728 1.749) 4.768 4.997 ( 1.006 1.039 -3.742) 4.012 5.061 ( -3.468 -3.362 -1.046) 4.942 5.107 ( 1.712 0.883 -0.818) 2.093 5.148 ( -1.470 -2.420 -0.894) 2.969 5.243 ( -0.771 -1.791 0.516) 2.017 5.338 ( 0.085 1.727 3.253) 3.684 5.460 ( -4.729 -3.235 1.445) 5.909 5.642 ( 0.972 -0.856 -3.371) 3.611 5.934 ( 1.574 -6.279 1.734) 6.702 6.093 ( 2.358 -5.907 0.163) 6.363 6.201 ( 0.706 -4.183 -0.799) 4.317 6.229 ( -1.237 -4.652 -1.120) 4.942 6.480 ( 3.850 -1.008 -0.991) 4.102 6.531 ( -0.445 6.096 -0.489) 6.132 6.654 ( 0.227 3.996 0.216) 4.008 6.812 ( 2.345 3.199 -0.447) 3.992 6.940 ( -2.122 -1.399 -0.388) 2.572 7.081 ( 2.088 -2.920 -5.933) 6.935 7.186 ( 4.726 -0.400 -1.223) 4.898 7.253 ( -4.719 -2.483 -0.804) 5.392 7.427 ( -3.439 -2.280 5.140) 6.591 7.554 ( 0.984 -0.037 -1.524) 1.814 7.692 ( -0.245 -0.496 -3.734) 3.775 7.710 ( 4.710 0.402 2.047) 5.152 7.742 ( -0.418 -1.189 -2.032) 2.391 7.929 ( 0.269 0.859 2.553) 2.707 8.007 ( 3.298 0.907 5.672) 6.624 8.060 ( -1.135 -0.106 -3.035) 3.242 8.156 ( -1.595 -2.511 3.315) 4.454 8.505 ( -1.801 -2.047 -4.310) 5.100 8.586 ( 3.017 -5.123 0.828) 6.003 8.948 ( -0.616 -5.689 0.892) 5.791 9.309 ( 4.553 1.814 -0.579) 4.935 9.588 ( 2.569 -0.644 5.061) 5.712 9.717 ( -6.675 -4.369 4.415) 9.118 9.935 ( -4.239 -1.131 -5.015) 6.664 10.431 ( 0.410 0.480 -3.422) 3.479 10.608 ( 5.114 0.811 2.052) 5.570 10.800 ( -1.910 -3.537 4.579) 6.093 10.838 ( -1.885 -1.329 -6.985) 7.355 11.272 ( -0.206 0.643 3.318) 3.386 11.357 ( -2.286 2.585 1.174) 3.644 11.921 ( 0.882 3.141 2.710) 4.242 11.947 ( 3.672 4.264 3.907) 6.851 12.224 ( 0.667 0.071 -3.518) 3.582 12.320 ( -0.942 4.205 1.969) 4.738 12.420 ( 1.376 2.802 -0.422) 3.150 12.610 ( 1.714 3.998 0.069) 4.351 13.089 ( 2.703 1.937 -4.024) 5.220 13.283 ( -1.487 1.662 1.357) 2.610 13.475 ( -8.571 5.086 2.973) 10.400 13.634 ( -0.688 1.553 -2.592) 3.099 14.220 ( 1.377 -6.892 -1.355) 7.157 14.298 ( 2.235 -5.810 0.387) 6.237 14.593 ( -8.678 -7.375 -2.894) 11.751 14.687 ( 4.081 -7.253 2.277) 8.628 14.920 ( 3.872 1.326 -0.719) 4.156 15.048 ( -7.479 3.982 -3.068) 9.011 15.160 ( 0.421 0.083 2.264) 2.304 15.324 ( -1.366 1.873 0.351) 2.345 16.301 ( -2.351 0.394 3.884) 4.557 16.542 ( -0.767 2.239 5.062) 5.588 16.721 ( -0.733 -2.448 -4.123) 4.850 16.942 ( 1.233 1.284 -1.548) 2.359 17.495 ( -1.175 -3.240 -4.243) 5.466 17.664 ( 1.985 -4.934 3.864) 6.574 18.254 ( -1.872 4.198 -2.436) 5.202 18.328 ( -0.635 1.812 1.343) 2.343 ======================= Grid point 95 (43/108) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -14.419 5.744 -4.384) 16.129 1.076 ( -11.827 2.592 -3.845) 12.704 1.390 ( 5.210 6.913 4.910) 9.952 1.731 ( 8.026 -0.143 -2.545) 8.421 1.899 ( 4.136 9.336 -0.231) 10.214 1.956 ( -6.628 2.322 -1.076) 7.105 2.127 ( -1.759 4.265 -10.145) 11.145 2.180 ( -3.360 5.262 1.567) 6.437 2.295 ( -2.009 3.924 -7.100) 8.357 2.390 ( -2.341 -0.808 5.169) 5.731 2.543 ( 5.199 0.549 0.441) 5.247 2.589 ( -4.230 4.187 1.811) 6.221 2.727 ( -3.775 3.332 -2.491) 5.617 2.854 ( 5.421 0.512 5.003) 7.394 2.867 ( -4.246 3.112 6.511) 8.373 3.097 ( 0.907 -2.134 2.682) 3.546 3.118 ( -1.742 0.100 0.707) 1.883 3.316 ( 2.693 1.903 2.318) 4.031 3.590 ( -3.610 -5.551 -2.444) 7.059 3.731 ( 6.608 2.623 0.106) 7.110 3.872 ( 2.944 -1.792 0.005) 3.446 4.128 ( 0.139 -1.311 -3.670) 3.900 4.450 ( 0.804 -7.385 -1.029) 7.500 4.547 ( -0.527 -5.851 -1.389) 6.036 4.690 ( 0.431 -0.907 0.184) 1.021 4.736 ( 4.442 -7.248 3.415) 9.161 4.823 ( -1.765 -4.031 3.712) 5.757 4.873 ( 2.791 -2.830 0.399) 3.994 4.991 ( -1.092 -0.399 -1.156) 1.640 5.017 ( 2.716 -3.359 -3.877) 5.805 5.075 ( -1.743 -1.218 -1.890) 2.845 5.158 ( 1.570 -0.945 -0.731) 1.973 5.256 ( 1.086 -4.407 -0.026) 4.539 5.309 ( -4.546 1.340 0.368) 4.754 5.437 ( 0.377 -0.677 2.488) 2.606 5.655 ( 2.672 -0.897 -2.162) 3.553 5.937 ( -2.936 -3.889 2.046) 5.285 6.096 ( -1.350 -8.029 0.318) 8.148 6.203 ( 0.008 -4.619 -1.476) 4.849 6.235 ( 1.938 -3.877 -0.059) 4.335 6.483 ( -2.986 7.418 -2.542) 8.391 6.531 ( 0.786 -1.402 1.117) 1.957 6.666 ( 0.832 1.596 0.232) 1.815 6.784 ( -2.647 0.534 -2.097) 3.419 6.893 ( -2.350 -0.344 -1.683) 2.911 7.079 ( -1.669 -4.330 -4.818) 6.689 7.186 ( 1.479 -2.047 -1.592) 2.985 7.270 ( 4.555 0.096 -0.788) 4.624 7.401 ( -3.087 -2.658 4.549) 6.106 7.555 ( -2.036 1.059 0.870) 2.454 7.634 ( -0.859 -2.433 -2.226) 3.408 7.744 ( -0.263 3.589 0.348) 3.616 7.801 ( 3.931 0.437 -2.215) 4.533 7.903 ( -1.817 4.112 -3.972) 5.999 8.013 ( -1.352 -2.426 5.459) 6.124 8.107 ( 1.368 0.081 3.119) 3.407 8.142 ( -2.551 -1.736 3.832) 4.920 8.476 ( 1.422 -2.710 -3.839) 4.910 8.639 ( -0.494 -5.523 2.491) 6.079 8.902 ( 0.011 -9.839 -2.618) 10.181 9.450 ( 8.027 4.476 3.791) 9.942 9.564 ( -11.439 -2.420 0.083) 11.692 9.646 ( -0.617 -6.279 5.395) 8.302 9.892 ( 2.850 -0.886 -3.471) 4.578 10.418 ( 0.606 0.885 -2.646) 2.855 10.716 ( 3.610 1.992 5.296) 6.712 10.760 ( -0.273 -0.027 -10.944) 10.947 10.805 ( 0.328 -3.398 2.184) 4.052 11.250 ( -2.246 1.384 1.231) 2.912 11.366 ( -0.965 -2.009 5.657) 6.080 11.982 ( 2.358 3.069 6.341) 7.428 12.039 ( 3.993 5.403 2.453) 7.152 12.217 ( 0.858 0.634 -3.670) 3.822 12.311 ( -0.364 6.580 1.381) 6.733 12.443 ( 0.793 2.854 1.225) 3.206 12.625 ( -0.180 2.958 -0.049) 2.964 13.111 ( 0.942 3.206 -3.695) 4.982 13.217 ( -3.945 3.154 -1.841) 5.376 13.366 ( -4.406 2.883 1.482) 5.470 13.641 ( 2.884 0.362 -2.040) 3.551 14.213 ( -2.944 -5.039 -1.507) 6.027 14.270 ( -2.058 -5.302 -1.072) 5.788 14.471 ( -3.502 -5.855 0.079) 6.823 14.780 ( 0.184 -0.657 -3.743) 3.805 14.903 ( 1.574 -3.595 1.812) 4.322 15.022 ( 3.905 3.931 -1.982) 5.885 15.225 ( 3.548 0.524 3.352) 4.909 15.374 ( 6.772 -2.763 1.588) 7.484 16.295 ( -1.015 1.162 3.671) 3.982 16.560 ( -1.099 1.959 5.366) 5.817 16.655 ( -2.491 -2.214 -5.856) 6.738 16.943 ( 0.363 0.617 -2.605) 2.702 17.474 ( -0.108 -0.045 0.357) 0.375 17.699 ( 0.735 -2.658 -0.393) 2.786 18.234 ( 0.769 2.190 -0.002) 2.321 18.324 ( -0.075 1.651 -0.696) 1.794 ======================= Grid point 96 (44/108) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -10.389 7.786 10.854) 16.922 0.898 ( -7.332 12.946 3.045) 15.187 1.444 ( -3.492 6.719 2.903) 8.110 1.801 ( -2.595 10.340 0.212) 10.662 1.833 ( -0.145 -1.120 -4.226) 4.374 1.927 ( 0.548 5.821 -9.116) 10.830 2.053 ( -5.023 3.257 -0.565) 6.013 2.148 ( 0.836 5.650 -1.010) 5.800 2.246 ( 1.826 4.632 -3.633) 6.163 2.346 ( -2.689 -2.181 -0.262) 3.472 2.485 ( -4.753 3.403 -3.501) 6.813 2.604 ( -0.954 3.663 1.611) 4.114 2.698 ( 2.228 -0.347 1.021) 2.475 2.836 ( -4.951 1.607 6.521) 8.344 2.951 ( 1.830 2.291 5.244) 6.008 3.097 ( 2.583 -4.428 -0.027) 5.127 3.179 ( 3.316 1.272 2.397) 4.284 3.366 ( 0.741 -3.691 2.543) 4.543 3.506 ( -3.277 -7.925 -2.333) 8.887 3.829 ( -4.962 -5.991 1.112) 7.858 3.877 ( 7.233 4.924 -2.265) 9.038 4.179 ( 6.876 -1.537 -1.638) 7.234 4.454 ( -0.289 -5.613 -3.223) 6.479 4.574 ( 3.302 -6.413 0.926) 7.272 4.639 ( -2.279 3.864 -2.123) 4.963 4.818 ( 1.014 -4.900 0.737) 5.057 4.855 ( 0.827 -1.549 1.771) 2.494 4.896 ( 1.885 -2.016 0.353) 2.782 4.982 ( -0.391 -0.627 -1.264) 1.464 5.051 ( 2.018 -5.741 -1.313) 6.226 5.079 ( 1.908 -1.642 1.464) 2.912 5.177 ( 1.181 -2.258 -0.824) 2.678 5.224 ( -3.211 0.845 0.291) 3.333 5.286 ( 1.886 -5.509 1.371) 5.982 5.479 ( 3.524 -1.093 -0.435) 3.715 5.711 ( 4.280 -2.922 -0.782) 5.241 5.874 ( -4.469 -1.838 1.684) 5.117 6.061 ( -2.915 -7.948 0.309) 8.472 6.183 ( -2.848 -0.801 -1.525) 3.329 6.242 ( -0.983 -4.566 0.292) 4.680 6.434 ( -0.574 3.502 -0.020) 3.549 6.501 ( -2.616 -3.656 -3.823) 5.902 6.678 ( 0.482 1.233 -0.944) 1.626 6.736 ( -2.204 0.388 1.066) 2.479 6.867 ( 0.005 1.131 0.534) 1.251 6.989 ( -3.447 -3.691 -1.419) 5.246 7.236 ( 3.695 -1.961 -4.249) 5.962 7.336 ( 2.768 0.519 0.465) 2.854 7.364 ( -3.887 -0.158 1.019) 4.022 7.485 ( -3.575 0.412 0.947) 3.722 7.639 ( -2.645 2.815 -0.152) 3.865 7.706 ( 1.218 4.494 -0.107) 4.657 7.831 ( -1.029 4.528 -2.602) 5.323 7.888 ( 2.843 -1.071 -1.641) 3.453 7.990 ( -5.531 1.089 2.400) 6.127 8.088 ( -3.293 -6.752 5.990) 9.608 8.175 ( 2.124 0.994 0.985) 2.543 8.488 ( 1.784 -3.805 -3.118) 5.233 8.590 ( -3.710 -6.694 -0.263) 7.658 8.951 ( 4.096 -4.938 1.233) 6.534 9.334 ( -11.380 -1.527 -3.500) 12.003 9.610 ( 4.794 1.320 3.042) 5.829 9.654 ( -0.478 -8.673 6.176) 10.658 9.958 ( 4.440 0.337 0.721) 4.511 10.422 ( 1.120 1.950 -1.022) 2.470 10.684 ( 0.565 1.121 -13.441) 13.499 10.778 ( 0.571 1.218 2.127) 2.517 10.856 ( 3.579 -3.760 1.951) 5.546 11.241 ( -1.374 -0.306 6.890) 7.033 11.367 ( -2.016 -3.908 3.067) 5.361 12.038 ( 0.518 4.243 -1.099) 4.413 12.119 ( 2.010 2.605 5.075) 6.048 12.198 ( -0.324 0.911 -2.957) 3.111 12.360 ( 4.910 8.410 0.402) 9.747 12.463 ( 0.509 2.817 1.339) 3.160 12.605 ( -1.317 2.739 -1.256) 3.288 13.021 ( -5.080 4.303 -4.802) 8.209 13.195 ( -0.752 -0.205 2.990) 3.090 13.355 ( 2.297 3.473 1.752) 4.517 13.692 ( 3.290 1.186 -0.658) 3.559 14.113 ( -4.569 -3.220 -2.412) 6.088 14.247 ( -2.049 -5.330 1.268) 5.850 14.448 ( 0.319 -3.557 0.328) 3.586 14.704 ( -2.932 1.759 -1.966) 3.943 14.980 ( 3.356 -4.864 -0.906) 5.979 15.071 ( 2.349 6.821 -0.877) 7.267 15.342 ( 6.810 2.810 2.108) 7.663 15.548 ( 10.595 -14.424 -0.213) 17.899 16.313 ( 0.051 0.996 4.549) 4.657 16.562 ( -1.771 0.571 1.362) 2.306 16.586 ( -1.633 -1.014 -0.374) 1.958 16.926 ( 0.094 0.082 -3.389) 3.391 17.473 ( -1.336 2.709 1.867) 3.551 17.703 ( 1.373 -0.648 -2.167) 2.646 18.274 ( 2.269 -0.122 2.022) 3.042 18.317 ( 0.435 2.421 -1.845) 3.075 ======================= Grid point 97 (45/108) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -0.595 7.817 32.702) 33.629 0.869 ( 0.925 18.746 6.759) 19.948 1.343 ( -6.952 13.516 2.854) 15.465 1.701 ( -9.945 8.685 -0.209) 13.205 1.767 ( -2.526 7.481 -1.909) 8.123 1.884 ( 2.040 9.057 -8.100) 12.321 1.988 ( 0.754 -1.897 -6.729) 7.032 2.174 ( 1.637 1.485 -2.161) 3.091 2.242 ( -1.070 0.766 -0.954) 1.625 2.330 ( 0.200 5.618 -1.091) 5.727 2.431 ( 1.594 -0.531 -1.735) 2.416 2.589 ( -1.069 2.714 2.804) 4.046 2.733 ( 0.224 0.672 -4.013) 4.074 2.810 ( -1.473 -4.394 8.822) 9.965 3.016 ( 1.357 3.502 4.767) 6.069 3.146 ( 1.917 -8.723 0.151) 8.933 3.229 ( 0.831 1.951 -0.022) 2.121 3.362 ( -2.144 -5.256 -1.195) 5.801 3.461 ( -1.070 -10.367 2.178) 10.647 3.708 ( -5.223 -7.114 -2.587) 9.197 4.036 ( 10.101 6.712 -0.971) 12.167 4.272 ( 2.326 0.785 -0.235) 2.466 4.415 ( 0.849 -3.093 -5.509) 6.374 4.605 ( -0.618 1.584 -3.442) 3.839 4.620 ( -0.674 -7.966 1.081) 8.067 4.771 ( -3.556 -0.049 1.101) 3.723 4.881 ( 2.007 -0.948 -0.496) 2.274 4.957 ( 1.146 -3.126 0.340) 3.346 4.959 ( 1.034 0.480 -0.863) 1.430 5.066 ( 0.660 -4.422 0.444) 4.493 5.113 ( -0.521 -1.614 1.484) 2.253 5.185 ( 1.329 -5.388 1.258) 5.690 5.239 ( 1.951 0.089 0.521) 2.021 5.328 ( 1.183 -3.177 3.262) 4.705 5.558 ( 5.499 -6.126 -1.392) 8.349 5.767 ( 1.885 -4.691 -0.562) 5.087 5.829 ( -1.613 -1.719 0.725) 2.466 6.003 ( -2.704 -3.639 -1.355) 4.732 6.091 ( -4.893 1.983 1.025) 5.378 6.216 ( -2.500 -2.867 1.003) 3.934 6.400 ( -3.320 -5.070 -0.761) 6.109 6.479 ( 3.212 -0.000 -4.608) 5.617 6.660 ( -1.272 0.836 -1.645) 2.241 6.698 ( -3.570 0.725 1.763) 4.047 6.883 ( 0.470 1.292 2.636) 2.973 6.982 ( 2.856 0.857 0.801) 3.088 7.232 ( -3.862 -0.849 -0.775) 4.029 7.267 ( -1.922 0.389 -3.925) 4.388 7.388 ( 2.137 3.282 -0.116) 3.918 7.459 ( -1.154 2.034 1.114) 2.590 7.606 ( 0.579 0.707 0.988) 1.346 7.684 ( -6.868 3.732 -2.401) 8.177 7.797 ( 1.935 5.381 -0.806) 5.775 7.897 ( -1.684 -4.960 -0.962) 5.326 7.976 ( 2.864 3.767 6.993) 8.443 8.046 ( -4.630 -5.327 0.931) 7.119 8.198 ( 0.043 1.786 -1.149) 2.124 8.475 ( -0.596 -2.577 -3.200) 4.152 8.561 ( 0.420 -6.585 0.594) 6.625 8.982 ( -3.300 4.886 -0.759) 5.945 9.179 ( -1.924 -5.221 -0.492) 5.586 9.623 ( -0.713 -9.694 0.463) 9.732 9.751 ( 2.404 0.579 7.336) 7.742 10.040 ( 2.733 0.236 4.104) 4.936 10.437 ( 1.147 2.811 -1.539) 3.404 10.611 ( 0.372 1.115 -11.234) 11.295 10.782 ( 0.964 -1.676 -4.038) 4.477 10.929 ( 2.245 -3.811 3.355) 5.552 11.289 ( -0.100 -1.413 11.350) 11.438 11.341 ( -2.301 -3.677 1.020) 4.456 11.987 ( -2.180 4.901 -7.724) 9.404 12.163 ( -0.780 2.680 -0.348) 2.813 12.180 ( 0.889 0.214 1.018) 1.369 12.426 ( 2.541 6.927 -3.884) 8.339 12.460 ( -1.638 1.516 -1.736) 2.828 12.569 ( -0.767 2.741 -5.012) 5.764 12.965 ( 0.989 2.620 2.418) 3.700 13.190 ( -2.094 -2.779 2.890) 4.524 13.472 ( 5.955 4.123 10.372) 12.651 13.739 ( 1.692 2.794 0.739) 3.349 14.045 ( -1.416 -2.843 -1.758) 3.630 14.210 ( -2.490 -5.763 0.964) 6.352 14.470 ( 1.645 -1.309 0.270) 2.119 14.678 ( -0.096 -1.346 2.107) 2.502 15.015 ( 1.875 -2.901 -1.227) 3.666 15.105 ( 1.536 8.813 1.675) 9.101 15.439 ( 3.529 3.537 -3.344) 6.012 15.700 ( 6.624 -20.013 -3.185) 21.320 16.347 ( -0.228 -0.512 5.510) 5.538 16.544 ( -0.741 -0.183 2.219) 2.347 16.580 ( -0.566 -1.116 2.664) 2.943 16.909 ( 0.548 -0.235 -3.522) 3.572 17.448 ( -1.686 3.560 0.038) 3.940 17.728 ( 1.731 -1.064 -0.216) 2.043 18.297 ( 0.510 0.598 -1.640) 1.818 18.346 ( 2.038 2.128 2.475) 3.848 ======================= Grid point 98 (46/108) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -0.200 13.253 13.844) 19.166 1.291 ( 2.759 12.843 18.076) 22.345 1.515 ( 0.390 7.329 5.083) 8.927 1.747 ( -1.096 5.409 -3.294) 6.428 1.833 ( -2.508 4.663 -5.647) 7.741 1.921 ( 0.915 0.223 -5.577) 5.656 2.096 ( 3.762 6.480 -2.290) 7.835 2.263 ( 0.759 0.957 2.366) 2.663 2.271 ( 1.901 10.847 -0.900) 11.049 2.393 ( -2.272 -3.152 5.172) 6.469 2.519 ( 2.382 -0.493 -3.875) 4.575 2.651 ( -0.720 9.972 -2.004) 10.197 2.684 ( -0.762 -6.890 5.944) 9.131 2.751 ( 1.025 2.347 -3.775) 4.561 2.938 ( -0.114 -6.775 -1.584) 6.959 3.042 ( -2.892 -8.223 -5.657) 10.392 3.115 ( -0.734 0.348 2.278) 2.419 3.304 ( -3.747 0.767 1.216) 4.013 3.359 ( 0.080 -2.363 6.141) 6.580 3.607 ( 0.699 0.517 -1.784) 1.984 4.191 ( -0.527 -11.189 -3.689) 11.793 4.296 ( -0.419 2.796 -2.114) 3.530 4.365 ( -0.918 1.314 -5.124) 5.369 4.417 ( 2.009 -0.953 -1.540) 2.705 4.602 ( -0.405 -1.570 3.782) 4.115 4.789 ( -0.278 -1.236 2.825) 3.096 4.859 ( -1.783 -5.477 -2.314) 6.207 4.895 ( 1.326 -0.238 -0.232) 1.367 4.929 ( 2.408 -3.582 -0.099) 4.318 5.030 ( -2.778 -0.630 -1.242) 3.107 5.043 ( 0.986 -0.009 1.390) 1.704 5.140 ( -0.559 -1.305 2.486) 2.863 5.285 ( 0.635 0.379 0.316) 0.804 5.359 ( 1.915 -1.720 1.351) 2.907 5.452 ( 2.973 -7.157 1.381) 7.872 5.621 ( -0.636 -10.088 -1.169) 10.175 5.775 ( -1.933 -1.159 0.257) 2.268 5.878 ( -1.975 -4.080 -2.423) 5.140 6.144 ( 1.544 2.780 1.649) 3.582 6.236 ( 2.067 2.122 0.371) 2.985 6.277 ( 0.135 -2.448 0.971) 2.638 6.462 ( 0.589 -3.062 -3.018) 4.340 6.677 ( -0.964 2.361 1.437) 2.927 6.702 ( 1.376 3.504 1.103) 3.922 6.925 ( -0.891 0.405 0.097) 0.984 7.048 ( 4.996 -2.020 -3.948) 6.680 7.171 ( -5.140 2.087 2.555) 6.108 7.287 ( 3.354 0.561 -0.198) 3.406 7.452 ( -0.108 1.198 0.974) 1.548 7.501 ( -2.714 -1.931 -0.043) 3.331 7.559 ( 4.975 3.888 -1.508) 6.492 7.740 ( -3.064 5.454 1.820) 6.515 7.795 ( -0.599 -2.327 -1.576) 2.873 7.868 ( -3.256 -0.888 -4.748) 5.825 7.891 ( -2.071 -0.498 -0.563) 2.203 8.120 ( 1.240 1.071 2.744) 3.196 8.205 ( 0.668 -4.764 3.573) 5.993 8.372 ( 0.398 -4.877 -2.708) 5.593 8.564 ( 3.037 3.916 2.783) 5.684 8.965 ( -5.037 4.602 -5.203) 8.580 9.179 ( 4.924 -1.316 4.672) 6.914 9.413 ( -0.141 -10.815 1.670) 10.945 9.817 ( -2.341 1.301 4.242) 5.017 10.082 ( 1.545 -2.245 2.292) 3.560 10.475 ( 1.542 1.655 -8.480) 8.776 10.579 ( -2.297 1.966 -4.265) 5.228 10.711 ( 0.692 -2.863 -4.176) 5.110 10.880 ( -0.682 -5.546 5.146) 7.596 11.261 ( -0.826 -1.115 3.039) 3.341 11.351 ( 0.951 -1.209 11.819) 11.919 11.978 ( -2.589 4.650 -8.417) 9.959 12.157 ( -1.249 1.911 -6.746) 7.122 12.236 ( 1.193 1.275 0.524) 1.823 12.387 ( -2.259 -0.803 -5.897) 6.366 12.529 ( -2.678 5.144 -3.410) 6.727 12.606 ( 1.718 3.223 -0.593) 3.700 13.064 ( 2.604 1.372 2.085) 3.607 13.128 ( -0.774 -0.515 1.118) 1.454 13.677 ( 2.457 1.139 11.876) 12.181 13.802 ( 0.267 0.404 3.040) 3.078 14.016 ( 0.842 0.408 -0.530) 1.075 14.084 ( -1.785 -2.969 -0.385) 3.485 14.494 ( 0.705 0.174 1.844) 1.982 14.660 ( 0.567 -0.986 2.608) 2.846 14.930 ( -0.472 -6.428 -0.976) 6.519 15.153 ( -1.641 -12.741 -5.798) 14.094 15.451 ( 1.041 6.907 0.914) 7.045 15.623 ( 0.273 4.938 -0.279) 4.953 16.358 ( -1.035 0.584 2.406) 2.683 16.536 ( 2.601 -3.705 0.967) 4.629 16.591 ( -1.555 3.070 2.294) 4.136 16.888 ( 1.681 -1.792 -3.260) 4.082 17.474 ( -0.933 2.055 -1.258) 2.584 17.662 ( -1.876 -3.521 -3.754) 5.478 18.351 ( 0.687 3.095 2.262) 3.894 18.440 ( 0.799 2.657 1.318) 3.072 ======================= Grid point 99 (47/108) ======================= q-point: ( 0.14 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -1.046 14.387 7.177) 16.112 1.412 ( -0.455 7.914 7.842) 11.150 1.641 ( -1.297 7.708 9.332) 12.173 1.680 ( 4.351 4.318 -0.562) 6.156 1.858 ( 3.933 3.599 -3.585) 6.425 1.916 ( 3.441 0.739 -0.909) 3.635 2.162 ( 5.972 3.406 -4.191) 8.052 2.268 ( -3.450 7.395 1.915) 8.382 2.320 ( 2.773 6.935 3.897) 8.424 2.376 ( -0.105 -0.103 0.213) 0.259 2.538 ( 1.319 -3.708 -2.038) 4.432 2.641 ( -0.626 3.739 0.064) 3.792 2.698 ( -0.082 -3.835 1.030) 3.971 2.747 ( -0.360 5.009 -0.283) 5.030 2.967 ( 5.400 -5.834 -2.027) 8.204 2.989 ( 0.047 -3.467 -1.741) 3.880 3.108 ( -1.073 0.870 2.370) 2.743 3.223 ( -5.472 0.031 0.420) 5.488 3.398 ( 1.184 -1.703 2.760) 3.452 3.619 ( 2.426 0.142 -3.362) 4.148 4.088 ( -6.587 -10.385 -3.404) 12.760 4.242 ( -4.398 2.029 -1.219) 4.994 4.298 ( -0.622 -8.593 -6.058) 10.533 4.436 ( -1.800 2.885 -0.301) 3.414 4.628 ( 0.689 -2.087 3.383) 4.034 4.777 ( -4.205 -2.907 2.066) 5.514 4.792 ( -3.327 -4.841 -0.905) 5.944 4.915 ( 1.255 -0.473 0.314) 1.377 4.961 ( 0.110 -0.712 -2.010) 2.135 5.034 ( 4.045 -0.879 0.655) 4.191 5.066 ( 0.518 -0.017 0.649) 0.831 5.155 ( 1.647 -0.737 2.377) 2.984 5.261 ( -2.665 1.196 -1.298) 3.197 5.404 ( 0.968 -1.358 2.049) 2.642 5.470 ( -2.579 -6.746 1.792) 7.441 5.598 ( -0.496 -7.360 -2.503) 7.790 5.753 ( -0.560 -3.250 0.358) 3.317 5.859 ( 1.734 -4.969 -0.492) 5.286 6.177 ( 0.593 0.906 0.431) 1.165 6.240 ( -1.601 0.274 0.105) 1.627 6.323 ( 3.403 -0.488 -0.392) 3.460 6.485 ( 4.885 -0.192 -2.219) 5.369 6.696 ( 2.541 3.909 -0.104) 4.663 6.753 ( 2.240 4.369 2.331) 5.435 6.909 ( -0.245 -3.420 -0.119) 3.430 7.083 ( -0.816 2.385 -0.607) 2.593 7.115 ( -0.240 -2.845 -0.107) 2.857 7.358 ( 3.391 -1.525 1.038) 3.860 7.426 ( -2.246 1.626 -2.512) 3.741 7.508 ( 1.679 0.517 4.670) 4.989 7.617 ( 0.865 3.784 -1.088) 4.031 7.706 ( -0.698 3.140 -1.072) 3.390 7.773 ( -1.174 -3.172 -1.864) 3.862 7.836 ( 0.803 -2.019 1.482) 2.631 7.848 ( 0.257 -1.308 -2.626) 2.945 8.093 ( -2.061 3.100 -2.930) 4.737 8.220 ( -1.228 -6.043 2.529) 6.665 8.402 ( 2.458 -6.048 -0.268) 6.534 8.622 ( -0.990 4.201 3.987) 5.876 8.894 ( 1.391 6.850 -2.395) 7.388 9.246 ( 0.125 -2.152 1.304) 2.519 9.457 ( 4.012 -7.519 1.738) 8.698 9.766 ( -5.944 0.438 3.955) 7.153 10.094 ( -1.702 -2.414 0.807) 3.062 10.458 ( 2.926 0.366 -7.228) 7.806 10.501 ( -1.581 -0.145 -7.003) 7.181 10.731 ( 0.567 -2.251 3.855) 4.500 10.885 ( -2.156 -4.906 4.424) 6.949 11.269 ( -0.042 2.071 1.959) 2.851 11.433 ( 0.263 -0.358 8.183) 8.195 11.902 ( -0.214 4.384 -5.153) 6.769 12.072 ( -2.178 2.548 -8.303) 8.954 12.258 ( 0.848 0.410 -1.158) 1.493 12.327 ( 0.074 -0.510 -4.508) 4.537 12.476 ( -1.692 4.339 0.037) 4.657 12.633 ( 1.595 3.007 -0.868) 3.513 13.093 ( 0.334 0.035 -0.311) 0.458 13.171 ( 3.960 0.873 1.726) 4.407 13.747 ( -3.386 1.658 9.126) 9.874 13.799 ( -2.127 1.741 2.954) 4.035 14.050 ( 3.004 -0.621 0.340) 3.086 14.066 ( 0.305 -3.372 -0.776) 3.473 14.510 ( -1.383 -2.286 4.763) 5.461 14.708 ( 3.333 -0.341 1.007) 3.499 14.858 ( -6.332 -9.270 -3.368) 11.720 15.094 ( 0.057 -9.334 -4.625) 10.418 15.444 ( -3.476 7.642 2.600) 8.789 15.564 ( -5.757 4.932 -1.729) 7.776 16.349 ( -1.540 0.966 2.208) 2.861 16.580 ( -0.268 2.159 1.093) 2.435 16.601 ( 2.675 -3.044 1.819) 4.442 16.904 ( 2.303 -1.620 -3.038) 4.143 17.472 ( 0.813 0.134 1.131) 1.399 17.583 ( -3.040 -3.686 -5.616) 7.373 18.373 ( -0.275 3.219 2.952) 4.376 18.441 ( -1.263 3.047 0.236) 3.307 ======================= Grid point 100 (48/108) ======================= q-point: ( 0.29 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -2.442 10.021 8.036) 13.075 1.438 ( 1.770 9.512 1.491) 9.790 1.588 ( -0.080 7.980 -6.776) 10.469 1.718 ( -3.571 2.896 -4.814) 6.657 1.942 ( 2.953 7.127 7.724) 10.917 2.047 ( 8.461 -1.120 -0.435) 8.546 2.191 ( -2.683 0.298 3.538) 4.450 2.247 ( 5.275 4.752 -5.389) 8.914 2.381 ( 0.057 8.923 -2.316) 9.218 2.406 ( 2.045 3.549 7.903) 8.902 2.528 ( -0.958 -3.532 -1.786) 4.072 2.576 ( -4.736 0.456 0.635) 4.801 2.721 ( 3.797 -0.245 -0.366) 3.822 2.813 ( 3.801 3.081 4.710) 6.792 2.996 ( -2.123 -0.287 2.318) 3.157 3.028 ( 3.727 0.021 -2.614) 4.553 3.124 ( -4.171 0.763 -0.889) 4.333 3.169 ( 5.854 -2.192 1.907) 6.536 3.443 ( 2.750 -1.674 0.502) 3.259 3.645 ( 2.329 -0.717 -2.054) 3.187 3.963 ( -4.503 -9.492 -3.831) 11.183 4.146 ( -4.971 -0.544 -0.564) 5.032 4.234 ( -3.519 -12.452 -1.803) 13.065 4.372 ( -3.786 -5.173 -0.953) 6.480 4.666 ( -0.765 -2.693 2.556) 3.790 4.672 ( -3.944 -0.496 -1.208) 4.155 4.760 ( -1.313 -1.672 2.323) 3.149 4.908 ( -2.048 1.063 -0.613) 2.387 4.972 ( 1.934 -2.146 -0.629) 2.956 5.072 ( 0.853 1.207 -1.071) 1.825 5.102 ( 2.767 -1.677 -0.186) 3.241 5.181 ( -2.533 1.856 -2.738) 4.166 5.228 ( 1.396 0.500 1.321) 1.986 5.375 ( -4.278 0.237 2.029) 4.741 5.436 ( -2.149 -5.871 1.803) 6.507 5.581 ( 0.683 -3.955 -2.604) 4.784 5.765 ( 1.397 -5.759 1.225) 6.052 5.917 ( 3.742 -6.062 0.527) 7.143 6.167 ( -0.845 -0.755 -2.105) 2.390 6.198 ( -2.805 -1.701 0.216) 3.288 6.379 ( 4.026 -1.555 -1.696) 4.637 6.584 ( 5.716 2.989 -1.047) 6.535 6.733 ( 1.073 4.335 -0.434) 4.487 6.820 ( 3.700 4.655 2.327) 6.386 6.913 ( 0.046 -4.064 -0.149) 4.067 7.063 ( -0.626 1.777 -0.585) 1.973 7.121 ( 1.680 -3.279 -1.327) 3.916 7.342 ( -5.338 -0.485 -1.496) 5.565 7.405 ( 0.320 -0.953 0.797) 1.283 7.566 ( -0.410 0.378 -0.259) 0.615 7.600 ( 1.459 0.556 3.641) 3.962 7.695 ( -0.080 -1.761 -3.170) 3.628 7.747 ( -0.626 -0.833 -2.377) 2.596 7.833 ( 1.290 -1.772 2.237) 3.132 7.931 ( 4.569 -2.690 2.244) 5.758 8.065 ( 0.842 5.596 -0.410) 5.674 8.206 ( -1.309 -2.770 1.444) 3.387 8.418 ( 0.066 -6.700 -2.876) 7.291 8.576 ( -3.105 2.745 -0.405) 4.164 8.943 ( -0.356 3.475 3.491) 4.939 9.256 ( 3.762 -0.932 -1.893) 4.313 9.554 ( 4.915 -0.791 0.883) 5.056 9.672 ( -6.957 -2.661 4.379) 8.641 10.026 ( -4.998 -2.656 -2.951) 6.383 10.444 ( 0.203 -1.001 -6.262) 6.345 10.496 ( 4.408 -1.597 -2.287) 5.217 10.760 ( -1.329 -1.058 6.681) 6.893 10.864 ( -2.328 -2.455 2.213) 4.043 11.283 ( -0.037 3.268 2.342) 4.021 11.448 ( -1.801 1.046 0.960) 2.293 11.921 ( 3.417 3.602 1.363) 5.148 11.997 ( -0.974 2.777 -4.321) 5.228 12.245 ( 0.104 0.528 -3.196) 3.241 12.340 ( 2.241 0.050 -0.340) 2.268 12.463 ( -0.505 3.181 0.995) 3.371 12.651 ( 0.917 2.076 -0.421) 2.309 13.104 ( 2.074 1.660 -2.497) 3.646 13.255 ( 3.840 0.249 1.188) 4.027 13.679 ( -6.842 2.881 2.606) 7.868 13.761 ( -5.097 2.837 2.989) 6.555 14.081 ( 1.849 -3.870 -0.529) 4.322 14.128 ( 4.736 -2.203 1.300) 5.383 14.508 ( -2.514 -4.325 6.233) 7.992 14.665 ( -8.432 -7.481 -5.679) 12.621 14.815 ( 5.777 -0.828 0.550) 5.862 15.097 ( 1.931 -5.317 -1.177) 5.778 15.334 ( -9.711 5.065 -1.005) 10.998 15.440 ( -6.018 4.579 -0.326) 7.569 16.334 ( -1.553 1.518 2.084) 3.010 16.585 ( -0.160 3.476 1.964) 3.995 16.652 ( 2.062 -4.492 -0.895) 5.023 16.926 ( 2.142 -1.641 -3.038) 4.063 17.495 ( -1.248 -1.809 -3.072) 3.778 17.521 ( 1.212 -2.386 2.602) 3.732 18.378 ( -0.891 2.931 2.010) 3.663 18.401 ( -2.666 3.804 -1.355) 4.839 ======================= Grid point 101 (49/108) ======================= q-point: ( 0.43 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -4.863 6.779 4.760) 9.605 1.456 ( -9.014 8.891 -12.614) 17.872 1.511 ( 4.176 13.098 1.688) 13.850 1.677 ( 3.622 4.575 -1.978) 6.161 1.964 ( -0.563 6.282 2.295) 6.712 2.141 ( 1.369 -1.657 -3.594) 4.188 2.233 ( 0.347 -0.235 3.938) 3.960 2.288 ( 3.018 4.306 0.201) 5.262 2.323 ( -2.632 5.346 -7.522) 9.596 2.485 ( -0.237 3.791 4.097) 5.587 2.503 ( -1.348 3.256 3.630) 5.059 2.554 ( 2.391 -2.797 3.213) 4.885 2.798 ( 3.887 0.215 0.642) 3.945 2.893 ( 1.486 3.841 3.517) 5.415 2.915 ( -5.715 3.901 0.066) 6.920 3.073 ( -1.858 0.064 2.202) 2.882 3.098 ( 3.519 -0.960 -1.079) 3.804 3.284 ( 4.362 -2.243 1.230) 5.057 3.506 ( 4.783 -2.435 -2.493) 5.918 3.659 ( -1.113 -2.824 1.114) 3.233 3.867 ( -3.025 -1.084 -2.788) 4.254 4.093 ( -1.309 -8.167 -0.868) 8.317 4.200 ( 0.827 -13.672 2.514) 13.925 4.291 ( -3.230 -15.475 -0.925) 15.836 4.592 ( -2.225 2.851 1.527) 3.926 4.717 ( 3.918 1.447 -1.269) 4.366 4.761 ( -0.963 -2.358 3.437) 4.278 4.858 ( -3.235 1.286 0.133) 3.484 4.983 ( 0.175 -1.788 -1.780) 2.529 5.089 ( 0.284 3.337 -3.017) 4.507 5.107 ( 0.018 -0.425 -2.842) 2.874 5.135 ( 0.313 0.899 -2.924) 3.075 5.214 ( -2.293 -1.260 0.833) 2.746 5.351 ( -0.454 -1.319 -0.557) 1.502 5.407 ( -2.461 -1.303 4.487) 5.281 5.584 ( 1.273 -3.772 -2.360) 4.628 5.813 ( 1.997 -6.082 3.045) 7.089 5.966 ( 0.622 -6.822 0.312) 6.857 6.143 ( 0.335 -2.589 -2.348) 3.511 6.151 ( -1.330 -2.968 -1.846) 3.739 6.450 ( 3.919 -1.133 1.104) 4.227 6.647 ( 2.107 3.032 -0.611) 3.742 6.729 ( -1.573 5.058 -0.311) 5.306 6.869 ( -0.171 1.897 -1.732) 2.574 6.892 ( -1.748 -2.608 -0.735) 3.225 7.039 ( 1.623 -0.915 -5.799) 6.091 7.179 ( 0.069 -1.306 -1.597) 2.064 7.225 ( -1.005 0.687 -0.566) 1.343 7.399 ( -2.605 -0.476 3.426) 4.330 7.547 ( 0.614 -0.056 -0.922) 1.109 7.655 ( -2.298 -2.523 -1.891) 3.902 7.698 ( 4.971 -1.648 3.856) 6.503 7.730 ( 0.350 -0.157 -0.069) 0.390 7.873 ( 0.087 -4.671 3.907) 6.090 7.994 ( 0.793 -2.144 0.514) 2.343 8.107 ( 1.709 3.611 1.856) 4.405 8.209 ( 0.363 5.773 0.939) 5.860 8.381 ( -0.363 -7.601 -1.877) 7.838 8.558 ( 1.287 0.982 -1.408) 2.145 8.875 ( -6.342 -2.459 -1.124) 6.894 9.378 ( 8.417 3.389 1.369) 9.176 9.559 ( -5.662 -1.108 3.539) 6.769 9.647 ( 0.975 -2.779 1.154) 3.163 9.899 ( -4.269 -2.654 -6.397) 8.136 10.423 ( 1.262 -0.873 -4.709) 4.953 10.578 ( 4.726 -3.122 1.662) 5.903 10.772 ( -2.005 0.336 7.161) 7.444 10.833 ( -1.532 0.225 -1.082) 1.889 11.290 ( -1.125 1.543 2.139) 2.867 11.398 ( -2.929 1.481 -1.846) 3.766 11.986 ( 1.552 3.395 1.638) 4.076 12.025 ( 4.567 3.490 4.304) 7.180 12.236 ( 0.973 1.196 -2.592) 3.016 12.380 ( 1.116 1.465 2.673) 3.246 12.465 ( 0.649 2.153 -0.425) 2.288 12.660 ( 0.049 0.816 0.490) 0.953 13.136 ( 3.607 2.821 -3.503) 5.765 13.302 ( 0.326 0.325 0.020) 0.461 13.569 ( -6.536 4.189 0.678) 7.793 13.666 ( -4.618 1.578 -1.604) 5.137 14.117 ( 2.212 -3.214 -0.010) 3.902 14.211 ( 2.124 -3.111 1.480) 4.047 14.469 ( -7.182 -4.796 0.427) 8.647 14.547 ( 1.642 -6.677 2.221) 7.226 14.942 ( 7.579 1.135 -0.913) 7.718 15.122 ( -6.702 0.817 -2.881) 7.340 15.145 ( -0.898 0.945 1.045) 1.671 15.350 ( -3.503 0.500 -0.482) 3.571 16.323 ( -1.030 1.879 1.928) 2.883 16.598 ( -0.116 3.358 2.448) 4.158 16.651 ( -0.465 -4.447 -3.821) 5.881 16.937 ( 1.314 -2.028 -3.475) 4.233 17.468 ( 0.389 0.212 -0.257) 0.512 17.583 ( 1.998 -3.110 4.739) 6.010 18.340 ( -2.466 4.345 -2.236) 5.474 18.371 ( -0.531 2.541 0.131) 2.599 ======================= Grid point 102 (50/108) ======================= q-point: (-0.43 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -8.592 11.203 -3.038) 14.442 1.219 ( -6.134 12.110 -3.394) 13.992 1.585 ( 2.532 11.190 1.572) 11.580 1.759 ( 4.229 3.639 1.435) 5.761 1.996 ( 1.412 1.858 2.636) 3.520 2.073 ( -3.535 4.423 -4.393) 7.166 2.198 ( -4.286 4.403 -8.042) 10.120 2.241 ( 1.529 0.459 -2.481) 2.951 2.351 ( 0.132 1.592 0.222) 1.613 2.414 ( -6.251 4.109 2.662) 7.940 2.531 ( 0.779 -0.508 3.035) 3.175 2.644 ( 1.438 1.898 1.258) 2.693 2.804 ( -2.455 3.375 1.269) 4.363 2.875 ( 2.100 2.298 -0.238) 3.122 2.943 ( 1.218 4.055 3.490) 5.487 3.037 ( -4.990 -3.851 2.688) 6.852 3.139 ( 2.676 1.802 0.187) 3.231 3.318 ( -1.900 -2.272 3.007) 4.221 3.490 ( -5.804 -4.348 -1.311) 7.370 3.716 ( 9.478 -3.437 -0.851) 10.118 3.821 ( -3.749 -4.076 -1.491) 5.735 4.064 ( 2.148 -3.732 -0.599) 4.347 4.243 ( 2.277 -12.516 0.080) 12.721 4.350 ( 6.470 -14.913 3.665) 16.664 4.602 ( 2.060 -0.190 1.985) 2.867 4.757 ( -1.196 -2.128 3.369) 4.160 4.796 ( 0.542 5.677 -1.839) 5.991 4.804 ( 1.611 -2.232 1.022) 2.936 4.961 ( -1.344 -2.090 -1.190) 2.755 5.054 ( 0.965 4.050 -5.161) 6.631 5.099 ( -0.203 1.816 -4.829) 5.163 5.125 ( 1.541 -1.784 -3.088) 3.885 5.193 ( -1.126 -1.635 1.450) 2.459 5.313 ( -2.632 -1.181 -1.164) 3.111 5.416 ( -0.323 -0.977 3.626) 3.769 5.601 ( 2.088 -3.670 -1.144) 4.375 5.849 ( -1.189 -5.165 4.360) 6.863 5.942 ( -2.555 -7.395 -0.421) 7.835 6.118 ( 0.437 -3.619 -1.843) 4.085 6.174 ( 3.200 -2.852 -2.490) 4.957 6.508 ( -0.557 -0.478 3.452) 3.529 6.648 ( -3.100 8.209 -3.815) 9.568 6.679 ( -1.098 -0.534 0.790) 1.454 6.785 ( -3.670 -0.404 -4.093) 5.513 6.877 ( 0.168 -1.353 -0.740) 1.551 7.012 ( -2.798 -1.889 -5.792) 6.704 7.126 ( 2.327 -1.932 -1.061) 3.205 7.313 ( 5.633 2.557 -2.566) 6.697 7.363 ( -3.322 -1.050 3.734) 5.107 7.578 ( -0.583 1.320 3.056) 3.379 7.588 ( -1.090 -1.847 -1.801) 2.801 7.762 ( 2.190 -0.446 2.187) 3.127 7.813 ( 4.225 -0.428 0.179) 4.250 7.902 ( 0.976 -5.840 6.122) 8.517 7.968 ( -2.208 0.710 -2.030) 3.082 8.120 ( -1.413 1.215 1.601) 2.456 8.182 ( -3.512 3.758 0.655) 5.185 8.417 ( 2.445 -2.721 -1.161) 3.838 8.565 ( -0.796 -1.505 1.270) 2.124 8.786 ( 0.736 -2.718 -4.185) 5.044 9.465 ( -5.755 -5.539 5.074) 9.463 9.541 ( 2.517 1.156 0.674) 2.851 9.583 ( -3.405 1.032 -1.240) 3.768 9.869 ( 4.614 -1.741 -4.519) 6.689 10.427 ( 1.852 0.408 -2.576) 3.199 10.671 ( 3.678 -4.436 2.239) 6.182 10.782 ( -0.819 1.715 2.045) 2.792 10.801 ( -0.720 1.474 -0.488) 1.712 11.265 ( -2.608 0.257 1.066) 2.829 11.337 ( -3.212 -0.904 0.778) 3.426 12.049 ( 2.523 3.692 5.220) 6.873 12.127 ( 3.473 3.484 2.644) 5.585 12.239 ( 0.807 1.846 -2.237) 3.011 12.420 ( 1.231 3.902 4.797) 6.305 12.480 ( 1.380 1.180 -1.155) 2.153 12.656 ( -0.766 0.088 0.173) 0.791 13.169 ( 0.911 2.778 -1.885) 3.478 13.264 ( -3.217 1.585 -2.012) 4.112 13.448 ( -5.265 4.928 -1.272) 7.323 13.633 ( 2.259 -1.066 -2.518) 3.547 14.147 ( -0.501 -1.498 1.085) 1.916 14.196 ( -2.725 -2.340 -0.002) 3.592 14.381 ( -2.420 -3.065 1.506) 4.185 14.663 ( 7.967 -8.423 1.631) 11.708 14.905 ( -8.535 1.964 -1.587) 8.901 15.100 ( 6.046 3.985 -1.723) 7.443 15.207 ( 3.856 -2.874 2.492) 5.416 15.332 ( 2.966 -1.452 -1.511) 3.632 16.324 ( -0.246 1.874 1.886) 2.670 16.590 ( -1.594 -3.134 -5.428) 6.467 16.614 ( -1.068 2.367 2.983) 3.956 16.928 ( 0.480 -2.151 -3.860) 4.445 17.498 ( 1.204 1.979 3.352) 4.074 17.640 ( 1.439 -2.851 2.791) 4.241 18.297 ( -0.686 3.879 -1.447) 4.196 18.365 ( 0.481 2.453 -1.516) 2.923 ======================= Grid point 103 (51/108) ======================= q-point: (-0.29 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -6.858 15.860 6.397) 18.425 1.181 ( -0.469 15.204 2.446) 15.407 1.597 ( -3.157 9.203 2.651) 10.084 1.812 ( 1.383 0.373 -1.603) 2.150 2.007 ( 0.244 1.712 -7.449) 7.647 2.025 ( 0.170 10.425 2.375) 10.694 2.083 ( -4.433 0.784 -3.102) 5.467 2.266 ( -2.789 1.291 -5.842) 6.601 2.281 ( 3.687 1.108 -1.120) 4.010 2.340 ( -6.395 3.026 3.918) 8.087 2.552 ( -1.370 -4.317 1.513) 4.775 2.636 ( 1.061 8.757 -0.341) 8.828 2.772 ( -3.478 6.541 -1.203) 7.505 2.872 ( -4.990 0.934 2.940) 5.867 2.979 ( -0.012 -4.302 0.750) 4.367 3.000 ( 2.643 -0.003 1.948) 3.283 3.199 ( 3.188 -0.718 -1.869) 3.764 3.285 ( -3.316 -3.324 5.094) 6.928 3.378 ( -6.111 -4.432 3.229) 8.211 3.703 ( -5.751 -6.110 -1.868) 8.597 3.920 ( 12.517 -1.571 -1.161) 12.668 4.172 ( 7.423 0.727 1.029) 7.529 4.291 ( 3.303 -8.722 -2.509) 9.658 4.441 ( 1.691 -7.012 1.206) 7.313 4.662 ( -1.536 -5.339 3.438) 6.533 4.748 ( 2.099 -1.632 0.485) 2.702 4.801 ( 2.619 -3.255 1.511) 4.443 4.877 ( 3.058 1.659 -1.485) 3.783 4.942 ( 0.180 -0.438 -1.463) 1.538 5.008 ( -2.358 -0.846 -3.195) 4.060 5.089 ( 1.840 2.725 -2.402) 4.072 5.146 ( 0.750 -0.286 -1.945) 2.104 5.195 ( 1.975 -2.752 0.541) 3.430 5.259 ( -1.483 0.370 -1.058) 1.859 5.423 ( -0.977 -3.611 1.515) 4.036 5.637 ( 1.719 -4.632 -0.211) 4.945 5.831 ( -3.026 -2.710 3.082) 5.100 5.901 ( -1.164 -7.746 0.809) 7.874 6.136 ( 2.451 -2.432 -2.488) 4.255 6.202 ( 0.550 -1.035 -0.860) 1.454 6.437 ( -7.491 -1.626 0.386) 7.675 6.531 ( -4.439 3.980 -4.737) 7.614 6.685 ( -0.048 -0.075 0.955) 0.959 6.747 ( -0.458 0.520 0.140) 0.707 6.892 ( 1.315 0.723 -0.202) 1.514 6.945 ( 0.160 -1.175 -2.378) 2.658 7.178 ( 3.213 -1.655 -1.733) 4.009 7.325 ( -2.084 -0.794 0.586) 2.306 7.388 ( 4.109 0.653 -1.879) 4.566 7.504 ( -3.844 1.818 0.397) 4.271 7.643 ( 0.223 -0.086 3.053) 3.062 7.789 ( -0.118 0.511 1.016) 1.143 7.832 ( 0.275 -2.714 -2.310) 3.574 7.933 ( 0.030 5.049 0.605) 5.085 7.989 ( 0.705 -1.914 6.078) 6.412 8.069 ( -4.741 3.328 -0.628) 5.827 8.129 ( -0.922 -4.004 0.055) 4.109 8.402 ( -0.789 -3.632 -1.766) 4.115 8.558 ( -0.876 1.813 -0.895) 2.203 8.861 ( 7.608 -3.826 0.394) 8.525 9.323 ( -10.194 -0.224 -2.136) 10.418 9.456 ( -3.734 -8.567 1.659) 9.492 9.692 ( 5.598 3.629 3.467) 7.518 9.945 ( 5.137 -1.771 -1.460) 5.627 10.453 ( 2.103 1.557 -0.750) 2.722 10.696 ( 0.292 -0.594 -7.066) 7.097 10.792 ( 1.756 -1.835 1.144) 2.785 10.803 ( -0.474 1.214 1.295) 1.837 11.233 ( -2.500 -0.609 5.161) 5.767 11.294 ( -2.921 -3.445 2.943) 5.391 12.115 ( 1.333 3.594 1.092) 3.986 12.167 ( 0.515 1.953 0.055) 2.021 12.234 ( -0.036 3.068 -0.766) 3.162 12.488 ( -0.161 1.053 5.351) 5.456 12.497 ( 3.882 4.277 -3.244) 6.624 12.638 ( -0.667 0.665 -1.102) 1.450 13.105 ( -5.018 4.014 -3.482) 7.308 13.195 ( -3.347 0.459 0.718) 3.454 13.431 ( 3.044 4.074 1.631) 5.341 13.684 ( 3.942 -1.818 -0.594) 4.381 14.087 ( -3.954 0.188 -1.026) 4.089 14.170 ( -2.435 -2.601 1.989) 4.080 14.396 ( 2.349 -1.133 1.687) 3.106 14.730 ( -3.588 1.114 -2.266) 4.388 14.839 ( 4.226 -8.410 1.098) 9.476 15.165 ( 2.134 -1.134 0.421) 2.453 15.312 ( 6.380 -3.763 -0.369) 7.416 15.429 ( 7.721 3.329 -0.821) 8.448 16.337 ( 0.165 1.418 2.160) 2.589 16.526 ( -1.247 -2.996 -4.317) 5.401 16.615 ( -1.386 2.761 3.286) 4.510 16.908 ( 0.158 -2.004 -3.891) 4.380 17.529 ( -0.584 2.715 2.904) 4.018 17.673 ( 1.323 -2.020 0.271) 2.430 18.298 ( 1.035 2.567 0.207) 2.775 18.373 ( 1.575 2.843 -1.453) 3.560 ======================= Grid point 104 (52/108) ======================= q-point: (-0.14 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.601 14.896 23.903) 28.171 1.210 ( 1.185 15.771 3.530) 16.204 1.534 ( -4.369 8.645 2.704) 10.057 1.791 ( -1.720 1.870 -2.836) 3.808 1.955 ( -0.728 3.798 -8.566) 9.398 1.961 ( -5.042 2.511 -3.765) 6.775 2.058 ( 1.213 9.004 0.199) 9.087 2.237 ( 2.222 0.848 -2.509) 3.457 2.265 ( -2.874 3.726 2.403) 5.284 2.357 ( 2.811 -1.743 3.490) 4.808 2.524 ( -0.267 0.794 -3.363) 3.466 2.662 ( -0.115 6.103 2.125) 6.464 2.695 ( -3.016 3.376 -0.296) 4.537 2.790 ( -3.554 0.559 -0.785) 3.682 2.965 ( -1.410 -6.407 -1.471) 6.724 3.069 ( 2.494 -1.360 1.665) 3.293 3.158 ( -3.208 -7.318 -5.746) 9.842 3.313 ( 0.462 -2.058 5.989) 6.350 3.335 ( -2.911 -0.207 6.872) 7.466 3.624 ( -1.875 -2.169 -1.420) 3.200 4.120 ( 10.074 -2.257 -2.402) 10.599 4.289 ( 3.593 0.697 0.081) 3.661 4.318 ( 2.954 -0.486 -2.768) 4.077 4.456 ( -0.101 -7.735 -1.705) 7.921 4.612 ( -3.098 -1.541 1.255) 3.681 4.783 ( 0.175 -2.663 0.980) 2.843 4.878 ( 3.033 -1.096 -1.952) 3.770 4.893 ( 0.715 -1.090 -0.108) 1.308 4.896 ( -2.048 -3.453 -1.078) 4.157 5.012 ( 2.138 -2.173 -0.109) 3.050 5.100 ( -3.753 -0.586 0.297) 3.810 5.117 ( 1.321 1.175 0.587) 1.863 5.241 ( 2.879 -0.390 0.666) 2.981 5.306 ( 4.071 0.080 1.794) 4.449 5.409 ( 0.155 -8.217 -0.804) 8.257 5.640 ( -0.774 -7.819 -0.606) 7.880 5.804 ( -1.682 -1.137 1.352) 2.439 5.906 ( 0.237 -5.535 0.106) 5.541 6.143 ( -0.843 2.593 -2.006) 3.385 6.197 ( 0.802 0.351 1.037) 1.357 6.314 ( -4.683 -3.204 -0.574) 5.703 6.472 ( 0.043 -1.456 -2.592) 2.973 6.679 ( -0.714 1.547 0.583) 1.801 6.722 ( -2.861 1.871 1.661) 3.801 6.920 ( 1.237 1.268 0.833) 1.957 6.980 ( 4.428 -1.005 -2.740) 5.303 7.210 ( 0.517 -0.285 0.582) 0.829 7.278 ( -2.307 0.275 -1.030) 2.542 7.443 ( 1.726 1.843 -0.412) 2.559 7.481 ( 2.109 1.104 0.055) 2.381 7.587 ( -5.429 -0.997 -0.172) 5.522 7.792 ( -2.509 3.735 0.030) 4.500 7.818 ( 0.347 -2.288 -2.277) 3.247 7.915 ( -2.449 5.127 1.494) 5.875 7.975 ( -4.282 -0.868 -3.599) 5.661 8.032 ( 2.608 0.716 6.141) 6.710 8.162 ( 1.853 -4.570 2.708) 5.626 8.397 ( 0.350 -5.331 -1.892) 5.667 8.528 ( -0.093 3.545 -1.943) 4.043 9.014 ( 6.685 -2.053 3.075) 7.639 9.136 ( -7.340 1.180 -3.496) 8.215 9.421 ( -1.960 -9.647 2.375) 10.127 9.790 ( 2.221 2.086 4.206) 5.194 10.023 ( 3.587 -2.080 1.057) 4.279 10.483 ( 1.784 2.081 -2.204) 3.517 10.637 ( -0.676 1.557 -7.589) 7.776 10.763 ( -0.941 -0.425 -7.257) 7.330 10.845 ( 0.771 -4.542 5.032) 6.822 11.252 ( -1.125 -2.304 7.835) 8.244 11.279 ( -1.242 -2.527 6.677) 7.246 12.077 ( -2.163 4.207 -7.275) 8.678 12.185 ( 0.969 0.344 -0.738) 1.265 12.226 ( -0.594 3.610 0.308) 3.672 12.462 ( -1.752 -0.923 -4.607) 5.015 12.552 ( 1.409 5.360 1.579) 5.763 12.616 ( -0.433 2.142 -4.616) 5.107 13.029 ( -0.773 3.726 -0.161) 3.809 13.151 ( -2.564 -1.049 1.827) 3.319 13.540 ( 4.694 2.861 8.300) 9.955 13.753 ( 2.974 -1.186 1.985) 3.767 14.028 ( -1.633 0.643 -1.057) 2.049 14.128 ( -2.973 -2.885 0.745) 4.210 14.456 ( 2.538 0.618 1.318) 2.926 14.662 ( -2.406 0.030 0.949) 2.587 14.911 ( 2.864 -6.847 -0.701) 7.455 15.189 ( 0.548 -8.431 -1.600) 8.598 15.405 ( 4.516 0.538 -1.956) 4.951 15.561 ( 6.061 5.474 0.583) 8.188 16.353 ( -0.222 0.788 2.453) 2.586 16.504 ( 0.800 -2.911 -1.101) 3.214 16.606 ( -1.743 2.719 2.768) 4.254 16.889 ( 0.660 -1.893 -3.640) 4.155 17.510 ( -1.899 2.859 -0.663) 3.496 17.690 ( 0.402 -2.406 -0.956) 2.620 18.324 ( 1.212 2.405 0.871) 2.830 18.404 ( 2.039 2.855 0.654) 3.568 ======================= Grid point 105 (53/108) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.426 11.457 7.247) 13.564 1.526 ( 1.525 10.020 8.849) 13.454 1.664 ( 1.403 7.312 5.883) 9.489 1.844 ( 2.232 5.202 -1.554) 5.870 1.880 ( -5.176 2.653 -2.180) 6.212 1.944 ( 0.158 0.673 -4.409) 4.463 2.126 ( 2.082 -3.974 -4.000) 6.011 2.250 ( -0.635 -0.692 9.198) 9.246 2.294 ( 0.641 -8.288 1.112) 8.387 2.384 ( -0.991 -5.828 -0.797) 5.965 2.495 ( 3.723 9.308 1.068) 10.081 2.588 ( -0.958 -1.739 0.946) 2.199 2.736 ( -0.577 -2.951 -1.656) 3.433 2.861 ( 0.459 -5.605 -6.659) 8.716 2.924 ( -1.775 7.395 -2.457) 7.993 2.999 ( 0.844 10.722 -2.170) 10.972 3.127 ( -0.269 0.866 2.452) 2.614 3.276 ( -1.498 -1.979 -2.129) 3.270 3.391 ( -0.662 3.308 6.834) 7.621 3.557 ( 0.560 -7.340 1.084) 7.441 4.050 ( -2.836 -0.643 -3.304) 4.402 4.242 ( -2.957 -7.500 -6.687) 10.474 4.346 ( -0.884 2.945 1.482) 3.413 4.505 ( -0.397 -0.690 3.563) 3.651 4.616 ( 3.228 5.668 -0.119) 6.524 4.705 ( 0.418 -3.752 0.123) 3.777 4.761 ( -2.241 -4.107 -0.234) 4.685 4.888 ( 1.996 -1.361 -2.411) 3.413 4.940 ( 2.530 2.560 0.253) 3.608 5.009 ( -0.131 0.347 -0.439) 0.574 5.081 ( 1.921 -0.463 -0.364) 2.010 5.119 ( -3.485 1.437 1.117) 3.931 5.234 ( 1.547 -8.118 -0.207) 8.267 5.281 ( -0.010 -1.760 -0.535) 1.839 5.408 ( 4.183 -0.366 2.467) 4.869 5.449 ( -0.354 -5.922 -0.203) 5.936 5.756 ( -2.652 -0.612 0.177) 2.728 5.800 ( -2.309 -3.307 -1.029) 4.162 6.188 ( 0.331 1.789 0.818) 1.995 6.250 ( 1.209 -0.811 1.410) 2.027 6.270 ( 2.493 1.776 0.450) 3.094 6.386 ( 0.583 -4.188 -0.369) 4.244 6.738 ( -0.272 4.183 0.887) 4.284 6.778 ( 2.000 4.195 1.180) 4.795 6.918 ( -0.331 -1.627 -1.755) 2.416 6.972 ( 3.440 -5.752 -3.398) 7.514 7.219 ( -3.902 2.730 2.309) 5.292 7.291 ( 1.151 -0.199 1.307) 1.752 7.452 ( 0.189 -0.268 -0.522) 0.617 7.479 ( -1.232 -0.573 0.919) 1.640 7.641 ( 5.734 4.479 -1.144) 7.365 7.766 ( -3.451 -1.103 -2.912) 4.648 7.776 ( -0.371 -1.506 -2.005) 2.535 7.835 ( 0.154 -3.882 -5.033) 6.358 7.906 ( -6.285 3.506 1.534) 7.358 8.073 ( -1.526 -5.620 0.531) 5.848 8.165 ( 1.894 2.155 2.514) 3.815 8.278 ( 0.044 -4.033 -1.969) 4.489 8.704 ( 3.199 9.069 5.194) 10.930 9.031 ( -2.265 -0.114 0.810) 2.408 9.137 ( 5.993 -2.546 2.940) 7.144 9.234 ( -3.247 -5.862 1.369) 6.840 9.851 ( -0.553 2.461 0.764) 2.636 10.012 ( 2.461 -4.655 -1.092) 5.378 10.518 ( 0.027 3.092 -8.442) 8.991 10.619 ( -3.777 1.521 -7.256) 8.321 10.666 ( 0.381 -1.594 -0.559) 1.731 10.768 ( -1.450 -5.466 6.709) 8.775 11.258 ( 0.734 0.788 7.160) 7.241 11.322 ( 1.622 -1.752 11.199) 11.451 12.064 ( -2.054 4.043 -7.737) 8.969 12.167 ( -0.486 -0.823 -5.740) 5.819 12.273 ( -0.245 2.377 -2.646) 3.565 12.361 ( -1.749 -1.770 -5.765) 6.279 12.609 ( -2.438 3.086 -2.764) 4.807 12.651 ( 0.508 1.214 0.504) 1.409 13.094 ( 0.802 1.682 0.080) 1.866 13.131 ( 0.983 0.335 0.540) 1.171 13.700 ( 2.268 1.393 9.497) 9.863 13.782 ( 1.060 -2.055 5.704) 6.155 14.031 ( 0.343 0.706 -0.416) 0.889 14.051 ( -1.193 -0.777 -0.551) 1.526 14.534 ( -1.224 4.068 0.572) 4.287 14.665 ( 1.016 1.357 2.086) 2.688 14.805 ( -2.820 -6.184 -1.242) 6.909 14.882 ( 1.276 -12.119 -3.872) 12.786 15.619 ( 1.100 8.074 2.349) 8.481 15.720 ( 0.223 3.391 0.632) 3.457 16.378 ( -0.058 1.451 0.956) 1.739 16.468 ( 1.905 -3.183 0.346) 3.726 16.663 ( -0.476 4.193 0.474) 4.246 16.833 ( 1.384 -3.731 -2.603) 4.755 17.515 ( -1.639 2.119 -2.578) 3.718 17.603 ( -2.232 -2.603 -3.800) 5.118 18.413 ( 0.801 2.989 2.485) 3.969 18.472 ( 0.865 0.519 1.391) 1.718 ======================= Grid point 106 (54/108) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -0.517 9.768 3.450) 10.373 1.568 ( 0.490 6.277 1.697) 6.521 1.763 ( -1.454 5.189 -4.672) 7.132 1.817 ( 3.987 8.795 10.704) 14.416 1.915 ( 2.259 -0.471 -0.073) 2.309 1.930 ( 2.276 4.028 0.910) 4.716 2.146 ( 3.330 -3.202 -3.346) 5.705 2.306 ( 0.076 -1.915 2.912) 3.486 2.322 ( 2.975 -1.946 4.575) 5.794 2.391 ( 2.188 -6.316 -0.340) 6.693 2.576 ( 2.591 3.738 0.559) 4.582 2.582 ( -0.979 0.651 1.003) 1.545 2.716 ( -0.672 2.562 1.427) 3.008 2.864 ( 1.872 -0.733 -1.820) 2.711 2.902 ( 2.479 4.015 -2.145) 5.184 2.995 ( 1.261 3.649 -3.516) 5.221 3.137 ( -1.058 -0.012 3.236) 3.405 3.212 ( -3.248 0.019 -1.710) 3.671 3.419 ( 0.380 2.819 2.360) 3.696 3.578 ( 2.618 -7.034 -1.632) 7.681 3.920 ( -8.637 -1.461 -3.754) 9.530 4.124 ( -5.118 -8.498 -5.725) 11.454 4.293 ( -6.024 2.584 0.607) 6.583 4.441 ( -8.664 -3.707 3.339) 9.998 4.651 ( 0.291 2.432 1.089) 2.680 4.701 ( -2.178 -2.333 0.787) 3.287 4.731 ( 0.930 0.249 -0.004) 0.963 4.910 ( 2.482 -0.756 -0.381) 2.622 4.972 ( -2.297 0.352 -2.116) 3.143 5.014 ( 2.354 -0.645 0.477) 2.487 5.093 ( -0.240 2.164 1.789) 2.818 5.142 ( 5.340 0.160 -1.352) 5.511 5.254 ( -0.242 -3.056 -0.796) 3.168 5.292 ( 2.602 -6.025 -0.589) 6.589 5.432 ( -1.568 -0.281 0.886) 1.823 5.482 ( 2.116 -3.813 -0.040) 4.361 5.707 ( -2.882 -1.314 0.619) 3.228 5.764 ( -0.138 -4.203 0.253) 4.213 6.201 ( -0.260 1.502 0.396) 1.575 6.244 ( -2.539 -0.123 -0.222) 2.552 6.330 ( 2.729 1.258 0.075) 3.006 6.445 ( 6.482 -3.716 0.320) 7.479 6.768 ( 3.016 3.814 0.667) 4.909 6.830 ( 2.239 3.526 2.274) 4.755 6.886 ( -0.902 0.668 -2.249) 2.514 7.002 ( 2.051 -6.472 -3.046) 7.441 7.165 ( -2.943 3.921 1.889) 5.254 7.313 ( -0.159 -3.072 1.807) 3.568 7.446 ( -0.423 0.966 -1.793) 2.080 7.507 ( 2.314 -0.909 1.844) 3.095 7.687 ( -1.064 0.272 -3.651) 3.812 7.707 ( -2.401 1.662 1.294) 3.194 7.770 ( 3.234 0.617 -3.505) 4.809 7.803 ( -5.179 -0.437 1.476) 5.403 7.827 ( 2.295 -0.572 -3.475) 4.204 8.046 ( -0.985 -8.501 -0.133) 8.559 8.184 ( 0.020 3.523 0.830) 3.619 8.307 ( 3.152 -3.351 -0.617) 4.642 8.751 ( -3.357 8.229 4.461) 9.944 8.999 ( -1.350 2.300 2.554) 3.692 9.190 ( 0.215 -2.820 -1.315) 3.119 9.307 ( 7.975 -6.702 4.964) 11.540 9.814 ( -3.843 4.073 -0.217) 5.604 10.020 ( -1.056 -5.010 -1.489) 5.332 10.462 ( 1.027 0.560 -9.233) 9.307 10.500 ( -1.945 -0.409 -9.919) 10.116 10.708 ( 0.264 -0.049 7.622) 7.626 10.792 ( -1.435 -4.250 8.216) 9.361 11.319 ( 1.352 2.953 5.065) 6.017 11.417 ( 1.429 -1.424 7.886) 8.140 11.990 ( -0.462 4.462 -6.365) 7.787 12.099 ( -1.475 -0.056 -8.475) 8.603 12.266 ( 0.861 0.485 -2.345) 2.545 12.306 ( 0.269 -1.354 -5.210) 5.390 12.555 ( -2.393 3.769 0.403) 4.483 12.656 ( -0.323 -0.546 0.785) 1.009 13.112 ( 1.721 1.873 -0.775) 2.659 13.180 ( 3.558 -0.293 0.148) 3.573 13.770 ( -1.738 1.003 8.329) 8.567 13.807 ( -1.734 -0.541 4.665) 5.006 14.038 ( 0.544 0.055 -0.978) 1.121 14.054 ( 1.975 0.325 -0.009) 2.002 14.498 ( -3.435 1.255 2.723) 4.560 14.685 ( -6.956 -7.932 -2.891) 10.939 14.725 ( 3.973 2.065 0.592) 4.516 14.915 ( 3.568 -8.013 -2.375) 9.088 15.591 ( -6.117 6.582 2.487) 9.323 15.662 ( -6.745 3.583 0.363) 7.646 16.382 ( -0.171 2.338 0.739) 2.458 16.513 ( 2.619 -4.162 0.168) 4.920 16.663 ( 0.083 4.543 0.407) 4.562 16.848 ( 1.989 -4.017 -2.594) 5.179 17.483 ( -0.328 0.847 -1.035) 1.377 17.530 ( -2.428 -1.906 -4.269) 5.268 18.434 ( -0.284 2.862 2.419) 3.758 18.482 ( -0.715 0.942 0.802) 1.429 ======================= Grid point 107 (55/108) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -2.858 10.097 2.742) 10.846 1.606 ( 3.353 5.588 -0.331) 6.525 1.730 ( 1.497 6.355 -4.600) 7.987 1.833 ( -3.557 6.653 -1.696) 7.732 1.973 ( 4.092 -2.433 -1.889) 5.122 2.041 ( 3.697 0.073 8.209) 9.003 2.208 ( 2.769 3.445 -0.709) 4.477 2.317 ( 2.770 2.125 -2.699) 4.413 2.404 ( 0.350 -3.673 5.099) 6.294 2.442 ( 3.924 -2.522 0.123) 4.666 2.521 ( -3.305 1.970 0.769) 3.923 2.644 ( 3.874 -3.950 -0.207) 5.537 2.717 ( -1.546 13.570 4.653) 14.428 2.930 ( 5.429 4.190 1.610) 7.044 2.961 ( 2.979 -1.050 0.895) 3.282 3.010 ( 2.797 -1.143 -4.110) 5.102 3.117 ( -2.191 -2.252 2.486) 4.007 3.172 ( -1.661 0.492 2.091) 2.715 3.444 ( 2.303 1.004 -0.466) 2.554 3.647 ( 6.400 -4.773 -2.579) 8.390 3.731 ( -8.476 -5.115 -3.348) 10.450 3.992 ( -6.391 -10.624 -2.497) 12.647 4.142 ( -9.737 -0.497 -0.637) 9.771 4.255 ( -13.423 -7.144 2.233) 15.369 4.657 ( -0.033 1.573 2.196) 2.702 4.697 ( 0.656 0.761 1.200) 1.565 4.752 ( 1.207 2.855 -0.218) 3.107 4.913 ( -1.921 -0.780 -1.943) 2.841 4.963 ( 1.536 0.436 0.732) 1.757 5.044 ( 2.184 -3.930 0.223) 4.501 5.102 ( 0.541 1.914 -0.337) 2.017 5.206 ( 1.816 -0.057 -2.641) 3.206 5.254 ( -1.107 1.538 -2.042) 2.786 5.299 ( 0.284 -4.432 -0.647) 4.488 5.410 ( -1.248 0.787 1.564) 2.150 5.512 ( 1.907 -3.448 -0.920) 4.046 5.680 ( -0.387 -2.071 1.759) 2.744 5.795 ( 2.232 -5.991 1.395) 6.543 6.164 ( -2.840 0.233 -2.144) 3.567 6.179 ( -4.369 -0.459 0.138) 4.395 6.380 ( 3.873 1.981 -1.065) 4.478 6.564 ( 5.171 -4.812 -0.309) 7.070 6.813 ( 1.108 2.485 0.522) 2.770 6.877 ( 0.995 2.080 -0.999) 2.513 6.895 ( 3.071 2.430 0.172) 3.920 7.022 ( 3.686 -3.797 -4.350) 6.850 7.147 ( -0.548 4.121 2.593) 4.900 7.297 ( -2.931 -3.301 0.447) 4.438 7.416 ( -1.376 1.631 -1.395) 2.549 7.549 ( 0.952 -3.153 0.697) 3.367 7.632 ( -3.460 3.307 -0.026) 4.786 7.662 ( -0.330 -0.323 -0.930) 1.038 7.731 ( -1.447 -1.262 -1.461) 2.413 7.807 ( 0.061 -0.913 -0.036) 0.916 7.897 ( 4.658 -0.823 1.493) 4.960 8.048 ( 0.649 -8.513 1.792) 8.724 8.212 ( 2.970 5.696 0.772) 6.470 8.354 ( 2.508 -1.380 -1.448) 3.208 8.667 ( -5.859 6.350 0.174) 8.642 8.939 ( -6.968 -4.144 1.552) 8.254 9.275 ( 7.837 3.019 1.423) 8.518 9.466 ( 6.066 -5.955 3.973) 9.383 9.720 ( -5.210 5.435 -2.148) 7.829 9.950 ( -4.509 -4.995 -4.250) 7.959 10.424 ( 0.604 -0.534 -7.009) 7.055 10.462 ( 2.721 -1.838 -3.869) 5.075 10.757 ( -0.911 0.631 8.887) 8.956 10.818 ( -1.412 -2.248 7.279) 7.748 11.356 ( -0.032 3.921 1.668) 4.261 11.455 ( -0.816 -0.559 1.296) 1.630 11.987 ( 2.934 3.087 -0.846) 4.342 12.036 ( 0.073 1.047 -4.753) 4.867 12.260 ( 0.960 0.934 -3.081) 3.359 12.319 ( 2.778 -1.825 -1.216) 3.539 12.528 ( -1.602 3.526 1.764) 4.256 12.652 ( -0.888 -1.738 1.315) 2.354 13.148 ( 3.225 2.792 -2.123) 4.764 13.247 ( 3.766 -1.296 -0.639) 4.034 13.729 ( -5.593 2.233 2.180) 6.404 13.784 ( -4.715 -0.269 3.679) 5.986 14.055 ( 2.074 0.775 -0.726) 2.330 14.104 ( 3.375 -0.685 0.735) 3.522 14.455 ( -3.895 -1.170 4.504) 6.068 14.536 ( -7.240 -5.282 -2.088) 9.202 14.825 ( 6.929 1.628 -0.160) 7.119 14.977 ( 4.968 -6.059 -1.592) 7.995 15.436 ( -11.577 4.807 0.088) 12.535 15.510 ( -9.823 1.903 0.385) 10.013 16.381 ( -0.377 3.181 0.362) 3.224 16.551 ( 1.793 -5.110 -1.435) 5.603 16.669 ( 0.286 4.660 0.534) 4.699 16.864 ( 1.697 -4.406 -2.927) 5.556 17.479 ( -0.596 -0.053 -1.651) 1.756 17.494 ( 0.998 -0.692 1.963) 2.308 18.434 ( -0.973 2.544 1.110) 2.941 18.457 ( -1.977 1.822 -0.492) 2.733 ======================= Grid point 108 (56/108) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -2.251 11.478 1.909) 11.851 1.630 ( -1.778 8.059 -6.613) 10.576 1.729 ( 0.690 7.376 -1.814) 7.627 1.779 ( 1.316 4.507 0.111) 4.696 2.003 ( 0.671 -1.337 -2.869) 3.235 2.109 ( 0.273 -2.016 0.976) 2.256 2.217 ( 0.493 1.144 2.525) 2.815 2.328 ( -2.413 -1.198 -0.398) 2.723 2.425 ( -2.087 2.601 -4.721) 5.780 2.502 ( 7.241 -1.933 3.689) 8.354 2.543 ( 1.517 5.563 2.988) 6.494 2.645 ( -3.487 7.908 4.222) 9.619 2.789 ( 5.451 2.386 0.160) 5.952 2.970 ( -1.727 1.129 -1.090) 2.333 2.996 ( -0.610 0.920 -2.309) 2.559 3.033 ( 0.374 1.512 4.314) 4.586 3.129 ( 0.481 1.131 2.009) 2.355 3.181 ( 1.870 -7.304 3.879) 8.479 3.503 ( 5.150 1.606 -3.444) 6.400 3.583 ( -5.830 -3.362 0.506) 6.748 3.795 ( 10.247 -8.066 -1.906) 13.179 3.865 ( -6.410 -10.677 -1.862) 12.592 4.008 ( -3.637 -6.440 2.054) 7.675 4.043 ( -9.141 -8.366 2.013) 12.554 4.666 ( -1.342 2.664 2.375) 3.813 4.721 ( -0.355 -1.508 2.962) 3.343 4.775 ( 2.971 4.905 -2.097) 6.106 4.884 ( -0.245 0.397 -0.331) 0.572 4.965 ( -1.496 0.281 -0.193) 1.534 5.076 ( 0.143 -3.044 -1.378) 3.344 5.108 ( 1.239 0.883 -2.554) 2.973 5.191 ( -1.261 -1.530 -0.324) 2.009 5.203 ( 0.258 3.692 -4.926) 6.161 5.300 ( -0.136 -2.868 -2.220) 3.629 5.406 ( -1.136 1.102 3.168) 3.541 5.528 ( 0.794 -2.205 -1.504) 2.785 5.719 ( 1.892 -2.819 3.722) 5.038 5.835 ( 0.437 -6.414 1.346) 6.568 6.102 ( -2.712 -1.364 -1.630) 3.446 6.107 ( -1.083 -1.681 -3.002) 3.607 6.454 ( 4.079 1.755 1.257) 4.615 6.616 ( 1.439 -4.642 0.039) 4.860 6.814 ( -1.072 1.132 -1.802) 2.383 6.879 ( -2.311 -1.199 -2.778) 3.807 6.903 ( 0.951 5.707 -2.582) 6.336 7.049 ( 1.924 0.848 -5.850) 6.216 7.168 ( -2.571 0.712 -0.909) 2.818 7.240 ( 1.720 -0.113 1.221) 2.112 7.404 ( -0.270 1.115 0.997) 1.520 7.544 ( -0.276 -3.000 -1.209) 3.246 7.607 ( -1.268 0.761 1.696) 2.251 7.688 ( 3.052 0.951 3.791) 4.959 7.725 ( 0.450 -0.504 0.980) 1.190 7.793 ( -1.115 -3.685 1.016) 3.981 7.965 ( 1.557 -0.605 1.263) 2.094 8.077 ( 0.372 -6.114 2.052) 6.460 8.305 ( 6.100 4.369 1.572) 7.666 8.358 ( -1.725 3.411 -1.099) 3.977 8.592 ( -1.546 2.911 -1.060) 3.463 8.810 ( -6.392 -4.896 -1.382) 8.169 9.413 ( 3.386 1.307 3.564) 5.087 9.533 ( -1.073 -3.233 0.713) 3.481 9.650 ( 0.253 3.917 -2.089) 4.447 9.832 ( -2.804 -4.069 -7.033) 8.595 10.416 ( 2.180 0.578 -3.525) 4.185 10.512 ( 3.421 -3.498 1.020) 4.998 10.790 ( -1.599 1.185 8.479) 8.709 10.832 ( -1.419 -0.531 4.630) 4.872 11.335 ( -2.348 2.823 -1.192) 3.860 11.411 ( -2.994 -0.266 -3.177) 4.373 12.047 ( 2.761 2.608 1.118) 3.959 12.075 ( 4.577 1.548 3.364) 5.888 12.270 ( 1.680 2.220 -1.503) 3.164 12.371 ( 2.661 -1.988 1.542) 3.662 12.518 ( -0.649 3.147 1.333) 3.478 12.642 ( -1.148 -2.346 1.532) 3.028 13.195 ( 3.580 3.140 -2.712) 5.479 13.293 ( 1.563 -1.300 -1.128) 2.325 13.633 ( -4.864 2.418 -1.268) 5.578 13.684 ( -6.589 0.053 -0.962) 6.659 14.102 ( 2.987 1.363 0.715) 3.360 14.171 ( 2.256 -1.297 1.801) 3.165 14.406 ( -5.443 -1.964 1.437) 5.963 14.439 ( -0.882 -4.155 2.624) 4.993 14.967 ( 8.693 1.523 -0.689) 8.852 15.068 ( 5.192 -3.537 -0.529) 6.305 15.217 ( -10.699 3.967 -1.488) 11.507 15.338 ( -8.150 -1.691 -0.984) 8.382 16.374 ( -0.399 3.351 0.024) 3.375 16.551 ( -0.097 -5.251 -3.498) 6.310 16.678 ( 0.155 4.473 0.761) 4.540 16.869 ( 1.109 -4.563 -3.198) 5.682 17.487 ( 1.280 1.425 2.062) 2.814 17.541 ( 1.656 -1.502 4.174) 4.735 18.412 ( -2.108 2.776 -1.618) 3.843 18.419 ( -0.671 2.072 -0.607) 2.261 ======================= Grid point 109 (57/108) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -2.890 13.452 -1.452) 13.836 1.507 ( -4.054 15.884 -3.100) 16.684 1.759 ( 1.269 3.959 0.973) 4.269 1.822 ( 2.123 1.608 -0.297) 2.680 1.973 ( -2.160 -2.141 0.507) 3.083 2.096 ( -0.230 -1.978 -3.501) 4.027 2.210 ( -5.099 -0.835 2.004) 5.542 2.306 ( 1.122 -3.049 3.419) 4.716 2.354 ( -0.872 5.355 -8.087) 9.739 2.532 ( -7.172 9.628 3.667) 12.553 2.572 ( -1.487 1.802 0.843) 2.484 2.681 ( 6.034 2.569 -1.141) 6.657 2.835 ( 0.890 0.917 -0.515) 1.377 2.932 ( -4.567 -2.927 2.045) 5.797 2.966 ( 0.191 3.035 -1.028) 3.210 3.016 ( -2.869 1.840 4.058) 5.300 3.158 ( 1.832 -0.776 0.863) 2.169 3.244 ( 0.537 -4.398 4.955) 6.647 3.430 ( -7.974 -1.276 -1.697) 8.252 3.623 ( 2.739 -7.517 -3.519) 8.741 3.733 ( 0.188 -1.109 0.460) 1.216 3.997 ( 9.052 -3.712 0.623) 9.803 4.042 ( 4.773 -7.034 1.268) 8.594 4.055 ( 8.882 -13.575 4.581) 16.857 4.632 ( -2.983 2.071 0.445) 3.659 4.718 ( -1.611 -2.320 2.534) 3.795 4.823 ( 0.161 4.092 0.811) 4.175 4.889 ( 1.527 3.072 0.060) 3.431 4.930 ( -0.284 -0.876 -0.713) 1.164 5.036 ( -2.222 -4.509 -3.122) 5.918 5.117 ( 2.354 2.192 -4.025) 5.153 5.175 ( -0.445 1.633 -2.223) 2.794 5.188 ( 0.379 1.905 -2.571) 3.222 5.274 ( -0.445 -2.263 -3.004) 3.787 5.405 ( -1.378 0.349 2.658) 3.015 5.534 ( 0.911 -3.388 -0.860) 3.612 5.759 ( -1.002 -3.282 5.050) 6.106 5.817 ( -2.637 -5.338 0.824) 6.011 6.072 ( 1.406 -0.995 -2.288) 2.864 6.119 ( 3.977 -2.669 -2.917) 5.608 6.516 ( -0.637 1.284 3.476) 3.760 6.633 ( -0.429 -3.656 1.118) 3.847 6.744 ( -3.507 1.160 -4.526) 5.841 6.778 ( -3.593 -0.483 -6.011) 7.020 6.894 ( -0.428 3.979 -1.838) 4.404 6.990 ( -3.238 -0.863 -4.936) 5.966 7.155 ( 3.124 4.142 -0.129) 5.190 7.308 ( 2.338 -2.375 0.232) 3.341 7.385 ( -1.541 2.702 -0.307) 3.126 7.553 ( 0.878 -2.873 -1.014) 3.170 7.609 ( 0.771 2.118 3.088) 3.823 7.731 ( 0.646 -2.916 -0.170) 2.991 7.797 ( 1.504 -0.558 2.903) 3.317 7.813 ( 3.137 -2.534 6.774) 7.883 7.977 ( 0.074 0.609 0.451) 0.761 8.072 ( -1.339 -4.594 -0.524) 4.814 8.288 ( -5.139 5.832 0.937) 7.829 8.402 ( 1.248 0.253 0.634) 1.422 8.578 ( 0.687 2.653 0.313) 2.758 8.742 ( 1.423 -2.978 -3.731) 4.981 9.387 ( -5.703 -1.812 3.037) 6.710 9.479 ( -6.885 -4.435 -1.294) 8.291 9.672 ( 4.691 4.872 -1.944) 7.037 9.822 ( 5.183 -3.006 -5.626) 8.219 10.449 ( 2.626 2.036 -0.430) 3.351 10.586 ( 2.991 -4.274 3.207) 6.124 10.810 ( -1.359 1.254 5.543) 5.843 10.828 ( -0.984 0.862 1.435) 1.942 11.272 ( -3.597 0.788 -0.352) 3.699 11.322 ( -4.339 -0.987 -2.858) 5.289 12.118 ( 2.834 3.136 3.535) 5.510 12.170 ( 3.154 0.889 1.725) 3.704 12.293 ( 1.199 3.574 0.291) 3.781 12.430 ( 1.748 -2.158 3.820) 4.723 12.526 ( 1.270 3.118 0.405) 3.391 12.633 ( -0.659 -2.143 0.934) 2.429 13.221 ( -0.064 2.512 -1.318) 2.838 13.279 ( -1.980 -0.026 -1.578) 2.532 13.531 ( -4.135 3.295 -2.930) 6.045 13.608 ( 0.372 -1.435 -2.966) 3.316 14.150 ( 0.144 1.274 2.016) 2.389 14.173 ( -2.784 -0.338 1.083) 3.006 14.354 ( -0.342 0.331 1.803) 1.865 14.510 ( 6.135 -6.987 2.544) 9.641 14.951 ( -9.277 2.888 -1.284) 9.800 15.116 ( -4.734 -4.768 1.227) 6.830 15.184 ( 10.535 3.461 -2.103) 11.287 15.302 ( 7.360 -2.004 -2.037) 7.895 16.369 ( -0.194 2.727 -0.024) 2.734 16.510 ( -1.254 -4.302 -4.259) 6.182 16.683 ( -0.214 4.191 0.914) 4.295 16.864 ( 0.591 -4.267 -3.183) 5.357 17.537 ( 1.503 1.891 4.149) 4.801 17.597 ( 1.414 -1.658 3.937) 4.500 18.371 ( -1.012 3.326 -1.731) 3.884 18.408 ( 0.370 1.543 -1.689) 2.317 ======================= Grid point 110 (58/108) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -3.167 18.545 3.549) 19.145 1.476 ( -0.376 14.687 1.177) 14.739 1.748 ( -3.737 3.438 1.917) 5.428 1.838 ( 0.497 2.094 -1.713) 2.751 1.963 ( -0.020 -5.530 2.090) 5.912 2.043 ( -1.745 -4.517 -5.810) 7.564 2.163 ( -1.852 0.724 3.830) 4.316 2.286 ( -0.654 5.509 -6.553) 8.586 2.331 ( -5.098 -0.806 4.407) 6.787 2.411 ( -2.903 7.055 -0.862) 7.678 2.507 ( -3.321 1.906 -3.941) 5.495 2.724 ( -1.474 -5.327 -0.342) 5.538 2.822 ( -6.463 -1.841 2.114) 7.045 2.886 ( 2.728 0.020 2.274) 3.551 2.956 ( -0.229 3.913 -1.309) 4.133 3.033 ( 1.474 5.020 -0.067) 5.232 3.174 ( -1.509 1.229 -4.295) 4.716 3.259 ( -0.756 -1.425 4.030) 4.340 3.322 ( -3.238 -1.944 6.302) 7.347 3.552 ( -2.694 -10.095 -1.227) 10.520 3.907 ( 11.001 3.046 2.137) 11.613 4.155 ( 8.485 -2.996 0.044) 8.999 4.164 ( 7.870 -4.566 0.353) 9.106 4.276 ( 10.138 -9.490 2.153) 14.052 4.593 ( -0.747 0.152 -0.183) 0.784 4.692 ( -2.199 -3.255 0.677) 3.986 4.782 ( -2.520 1.716 0.641) 3.115 4.938 ( 0.383 0.738 -1.000) 1.300 4.945 ( 0.648 -0.820 -1.135) 1.543 4.974 ( -0.331 0.114 -0.747) 0.825 5.133 ( -2.297 -1.191 0.295) 2.604 5.151 ( 2.704 1.416 -3.776) 4.856 5.187 ( 2.390 2.535 -3.210) 4.738 5.252 ( 0.609 -0.708 -3.405) 3.531 5.375 ( -3.894 -0.551 1.876) 4.357 5.535 ( -1.217 -5.690 -0.109) 5.820 5.769 ( -0.564 -3.277 4.511) 5.604 5.785 ( -0.919 -3.828 1.676) 4.279 6.118 ( 4.829 0.686 -2.356) 5.417 6.181 ( 3.881 -1.287 -1.959) 4.533 6.426 ( -8.890 0.571 -0.007) 8.908 6.537 ( -8.358 -3.201 -2.521) 9.299 6.712 ( 1.628 2.445 -0.824) 3.051 6.756 ( 1.892 0.625 -0.464) 2.046 6.889 ( 1.479 -0.731 -1.215) 2.049 6.920 ( -1.269 -0.961 -3.506) 3.850 7.214 ( 2.424 3.802 0.328) 4.521 7.304 ( -2.529 -1.331 2.106) 3.550 7.401 ( 4.859 2.058 -3.664) 6.424 7.535 ( -2.176 0.433 0.091) 2.221 7.654 ( -0.521 1.083 2.539) 2.809 7.748 ( 1.419 -3.263 -0.292) 3.570 7.792 ( -0.730 -1.334 0.327) 1.556 7.902 ( 0.707 -7.518 3.428) 8.293 8.008 ( 2.100 1.911 2.319) 3.666 8.043 ( -0.798 0.462 -0.522) 1.060 8.199 ( -5.418 5.739 1.023) 7.959 8.350 ( -3.829 -2.272 -1.015) 4.566 8.622 ( 1.839 4.355 -0.156) 4.730 8.798 ( 6.472 -3.348 -1.555) 7.451 9.309 ( -6.585 -1.371 0.989) 6.799 9.325 ( -6.232 -4.226 0.899) 7.583 9.757 ( 4.990 3.139 -0.823) 5.952 9.891 ( 5.472 -3.476 -3.993) 7.614 10.496 ( 1.966 2.984 1.672) 3.945 10.646 ( 1.279 -3.810 2.738) 4.863 10.795 ( -0.838 1.425 -2.912) 3.349 10.823 ( -0.846 0.638 -0.458) 1.155 11.219 ( -3.317 -0.694 4.276) 5.456 11.239 ( -3.894 -2.083 2.172) 4.921 12.172 ( 1.243 2.175 0.964) 2.684 12.194 ( 0.105 0.917 -2.228) 2.412 12.310 ( -0.149 4.313 1.249) 4.493 12.461 ( -0.474 -2.665 0.969) 2.875 12.576 ( 3.160 3.016 1.246) 4.543 12.638 ( 1.110 -0.528 -0.253) 1.256 13.169 ( -3.923 2.549 -1.672) 4.968 13.208 ( -4.136 0.525 -1.356) 4.384 13.507 ( 2.247 3.631 0.596) 4.311 13.634 ( 3.271 -2.966 -0.250) 4.422 14.102 ( -3.613 0.981 -0.446) 3.770 14.138 ( -3.168 -1.021 1.708) 3.741 14.415 ( 4.449 3.038 2.332) 5.870 14.651 ( 7.330 -8.141 1.456) 11.051 14.790 ( -7.268 3.049 -1.028) 7.948 15.023 ( -4.674 -8.578 -0.549) 9.785 15.371 ( 10.577 5.017 -1.109) 11.759 15.475 ( 10.891 0.711 -0.357) 10.920 16.368 ( 0.012 1.771 0.323) 1.800 16.465 ( -0.863 -3.137 -3.055) 4.463 16.681 ( -0.666 4.006 0.879) 4.155 16.850 ( 0.176 -3.827 -3.077) 4.914 17.575 ( -0.224 1.986 2.733) 3.386 17.637 ( 0.901 -1.598 1.733) 2.524 18.359 ( 0.557 3.234 -0.502) 3.320 18.414 ( 1.382 1.071 -1.179) 2.109 ======================= Grid point 111 (59/108) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.450 18.126 13.964) 22.885 1.480 ( -0.247 11.912 1.867) 12.060 1.681 ( -4.107 4.363 1.744) 6.240 1.827 ( 0.438 3.298 -2.291) 4.039 1.962 ( -0.851 -3.179 -1.521) 3.625 1.991 ( -2.217 -0.821 -2.941) 3.773 2.139 ( -1.226 -3.994 -2.809) 5.034 2.227 ( -3.882 6.011 5.626) 9.103 2.282 ( -0.138 -6.284 1.953) 6.582 2.397 ( 0.028 4.794 -2.184) 5.268 2.464 ( 1.031 1.698 -2.422) 3.132 2.637 ( -6.083 -6.054 2.307) 8.887 2.761 ( -1.346 -2.758 -2.053) 3.692 2.922 ( -0.548 -9.314 -5.900) 11.039 2.943 ( 0.875 10.188 0.596) 10.243 3.017 ( -1.427 12.028 -4.225) 12.828 3.119 ( -0.658 0.967 0.971) 1.520 3.281 ( 0.275 -1.467 2.274) 2.720 3.355 ( -0.264 1.265 7.612) 7.721 3.538 ( 0.073 -8.438 2.122) 8.701 4.056 ( 4.296 0.704 -1.209) 4.518 4.273 ( 3.564 -6.114 -1.369) 7.208 4.302 ( 5.837 -0.175 0.044) 5.840 4.411 ( 6.533 1.432 -0.152) 6.690 4.590 ( -0.841 0.366 1.330) 1.615 4.692 ( 1.925 -4.438 -0.855) 4.913 4.770 ( 0.509 -3.050 0.890) 3.217 4.882 ( -1.068 -2.874 -3.372) 4.558 4.943 ( -0.529 3.082 -1.034) 3.293 4.995 ( 1.142 1.122 -0.513) 1.681 5.084 ( -2.133 -0.840 0.153) 2.297 5.162 ( -0.081 0.340 -2.501) 2.525 5.241 ( 3.611 0.344 1.097) 3.789 5.260 ( -1.869 -3.989 0.488) 4.432 5.322 ( 1.329 0.522 0.474) 1.504 5.487 ( -3.070 -7.184 -0.604) 7.836 5.781 ( -0.760 -1.140 2.241) 2.627 5.812 ( 1.108 -3.618 1.265) 3.990 6.187 ( 2.772 2.283 -2.937) 4.639 6.215 ( 1.953 1.119 0.344) 2.277 6.280 ( -5.856 -0.394 0.185) 5.872 6.409 ( -3.512 -4.761 -0.673) 5.954 6.734 ( 0.654 3.943 0.477) 4.026 6.768 ( -0.946 2.744 0.883) 3.034 6.908 ( 2.039 -2.225 -2.372) 3.839 6.930 ( 3.316 -4.150 -2.085) 5.707 7.244 ( -0.040 2.792 2.355) 3.653 7.277 ( -1.134 -0.136 0.777) 1.381 7.465 ( 1.128 1.266 -1.686) 2.391 7.500 ( 0.137 0.506 -0.245) 0.578 7.596 ( -2.810 2.112 -0.867) 3.620 7.772 ( 1.292 -2.337 -1.610) 3.118 7.806 ( 0.801 -1.252 -0.071) 1.488 7.889 ( -1.761 -8.047 -3.179) 8.830 8.002 ( -5.461 3.924 2.313) 7.111 8.060 ( 2.000 0.941 2.527) 3.358 8.134 ( -1.690 3.048 1.357) 3.740 8.304 ( -1.057 -4.274 -1.097) 4.538 8.639 ( 1.559 7.088 -0.094) 7.258 8.934 ( 7.608 -6.088 2.622) 10.091 9.172 ( -6.292 1.953 -1.026) 6.668 9.277 ( -3.243 -4.843 3.253) 6.675 9.827 ( 2.762 2.010 0.303) 3.429 9.960 ( 4.401 -4.108 -2.406) 6.483 10.533 ( 0.938 3.349 0.892) 3.591 10.658 ( -0.403 -0.237 -1.459) 1.532 10.758 ( -2.071 -0.433 -6.649) 6.977 10.768 ( -1.708 -2.533 -1.810) 3.551 11.214 ( -1.419 -1.156 7.196) 7.425 11.238 ( -0.533 -1.830 9.923) 10.105 12.145 ( -1.619 2.646 -5.927) 6.689 12.190 ( 0.366 0.023 -1.707) 1.746 12.300 ( -1.023 3.797 -0.770) 4.008 12.428 ( -1.950 -2.480 -3.516) 4.723 12.628 ( 1.687 2.541 0.918) 3.185 12.652 ( 0.473 1.322 -2.914) 3.235 13.098 ( -1.753 3.052 -1.337) 3.765 13.145 ( -2.431 0.061 0.346) 2.456 13.589 ( 3.706 2.470 6.388) 7.787 13.708 ( 3.232 -3.121 3.847) 5.915 14.048 ( -1.799 1.043 -0.732) 2.205 14.088 ( -2.739 -1.382 0.325) 3.085 14.506 ( 3.485 4.420 1.712) 5.884 14.685 ( -4.043 2.210 0.306) 4.618 14.770 ( 5.001 -7.252 0.148) 8.810 14.942 ( -3.529 -11.615 -2.536) 12.401 15.532 ( 7.169 7.358 0.588) 10.290 15.646 ( 7.344 2.367 0.441) 7.729 16.373 ( 0.039 1.203 0.800) 1.445 16.448 ( 0.483 -2.699 -0.970) 2.909 16.672 ( -0.850 3.975 0.688) 4.123 16.835 ( 0.436 -3.618 -2.864) 4.635 17.561 ( -1.739 2.374 -1.001) 3.109 17.645 ( -0.508 -2.158 -1.034) 2.446 18.380 ( 1.295 3.015 1.243) 3.509 18.440 ( 1.695 0.661 0.515) 1.891 ======================= Grid point 112 (60/108) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -0.712 -3.769 -0.082) 3.837 1.586 ( -0.712 3.769 -0.082) 3.837 1.843 ( 2.286 -9.806 9.646) 13.944 1.843 ( 2.286 9.806 9.646) 13.944 1.929 ( -1.052 -1.788 -1.464) 2.539 1.929 ( -1.052 1.788 -1.464) 2.539 2.109 ( 1.531 -6.473 -2.484) 7.100 2.109 ( 1.531 6.473 -2.484) 7.100 2.288 ( -3.620 -4.585 4.824) 7.577 2.288 ( -3.620 4.585 4.824) 7.577 2.617 ( 3.731 -5.749 -1.581) 7.034 2.617 ( 3.731 5.749 -1.581) 7.034 2.707 ( 0.917 -8.369 -4.430) 9.513 2.707 ( 0.917 8.369 -4.430) 9.513 3.081 ( -2.115 -5.260 1.483) 5.860 3.081 ( -2.115 5.260 1.483) 5.860 3.201 ( -1.836 -8.195 -3.053) 8.936 3.201 ( -1.836 8.195 -3.053) 8.936 3.437 ( 1.197 -2.508 4.050) 4.912 3.437 ( 1.197 2.508 4.050) 4.912 4.114 ( -2.930 -5.395 -4.870) 7.836 4.114 ( -2.930 5.395 -4.870) 7.836 4.426 ( -1.887 -5.117 4.257) 6.919 4.426 ( -1.887 5.117 4.257) 6.919 4.672 ( 0.673 -0.184 -0.687) 0.980 4.672 ( 0.673 0.184 -0.687) 0.980 4.804 ( 2.775 -6.536 -2.527) 7.537 4.804 ( 2.775 6.536 -2.527) 7.537 4.997 ( 1.202 -2.815 0.085) 3.061 4.997 ( 1.202 2.815 0.085) 3.061 5.097 ( 1.372 -4.926 0.233) 5.119 5.097 ( 1.372 4.926 0.233) 5.119 5.200 ( -2.763 -5.320 -0.522) 6.017 5.200 ( -2.763 5.320 -0.522) 6.017 5.405 ( 2.880 -0.905 0.602) 3.078 5.405 ( 2.880 0.905 0.602) 3.078 5.758 ( -2.877 -1.013 0.312) 3.066 5.758 ( -2.877 1.013 0.312) 3.066 6.224 ( 0.529 -1.874 0.511) 2.013 6.224 ( 0.529 1.874 0.511) 2.013 6.315 ( 1.742 -2.932 1.038) 3.565 6.315 ( 1.742 2.932 1.038) 3.565 6.843 ( 1.128 -5.736 -0.149) 5.847 6.843 ( 1.128 5.736 -0.149) 5.847 6.862 ( 1.709 -3.204 -1.333) 3.868 6.862 ( 1.709 3.204 -1.333) 3.868 7.268 ( -1.920 -2.103 2.093) 3.534 7.268 ( -1.920 2.103 2.093) 3.534 7.464 ( -0.465 -1.048 -0.358) 1.201 7.464 ( -0.465 1.048 -0.358) 1.201 7.724 ( 3.806 -3.576 -2.353) 5.728 7.724 ( 3.806 3.576 -2.353) 5.728 7.767 ( -1.538 -1.655 -2.977) 3.737 7.767 ( -1.538 1.655 -2.977) 3.737 7.980 ( -5.131 -3.992 -0.128) 6.502 7.980 ( -5.131 3.992 -0.128) 6.502 8.215 ( 1.090 -2.724 0.055) 2.935 8.215 ( 1.090 2.724 0.055) 2.935 8.894 ( 3.434 -10.053 6.375) 12.390 8.894 ( 3.434 10.053 6.375) 12.390 9.163 ( -1.758 -2.973 0.147) 3.457 9.163 ( -1.758 2.973 0.147) 3.457 9.919 ( 1.753 -4.431 -1.616) 5.032 9.919 ( 1.753 4.431 -1.616) 5.032 10.590 ( -1.800 -3.707 -10.679) 11.446 10.590 ( -1.800 3.707 -10.679) 11.446 10.685 ( -1.494 -2.899 6.428) 7.208 10.685 ( -1.494 2.899 6.428) 7.208 11.286 ( 1.637 -1.857 9.831) 10.138 11.286 ( 1.637 1.857 9.831) 10.138 12.131 ( -1.084 -2.747 -6.374) 7.025 12.131 ( -1.084 2.747 -6.374) 7.025 12.320 ( -1.135 -2.323 -4.830) 5.478 12.320 ( -1.135 2.323 -4.830) 5.478 12.651 ( -1.236 -1.176 -0.762) 1.868 12.651 ( -1.236 1.176 -0.762) 1.868 13.124 ( 0.860 -1.153 -0.324) 1.475 13.124 ( 0.860 1.153 -0.324) 1.475 13.736 ( 1.829 -2.315 7.769) 8.311 13.736 ( 1.829 2.315 7.769) 8.311 14.041 ( -0.287 -0.436 -0.459) 0.695 14.041 ( -0.287 0.436 -0.459) 0.695 14.647 ( -3.088 -6.653 -0.715) 7.369 14.647 ( -3.088 6.653 -0.715) 7.369 14.734 ( 2.065 -3.207 -0.271) 3.824 14.734 ( 2.065 3.207 -0.271) 3.824 15.729 ( 0.637 -2.733 1.723) 3.293 15.729 ( 0.637 2.733 1.723) 3.293 16.415 ( 0.970 -2.301 0.428) 2.534 16.415 ( 0.970 2.301 0.428) 2.534 16.750 ( 0.570 -4.559 -1.315) 4.779 16.750 ( 0.570 4.559 -1.315) 4.779 17.557 ( -2.087 -2.213 -3.357) 4.530 17.557 ( -2.087 2.213 -3.357) 4.530 18.460 ( 0.850 -1.668 1.936) 2.693 18.460 ( 0.850 1.668 1.936) 2.693 ======================= Grid point 114 (61/108) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 1.122 -3.797 -0.670) 4.015 1.590 ( 1.122 3.797 -0.671) 4.015 1.869 ( -2.813 -4.509 0.140) 5.316 1.869 ( -2.813 4.509 0.140) 5.316 1.949 ( 3.249 -3.523 2.931) 5.618 1.949 ( 3.249 3.523 2.931) 5.618 2.189 ( 8.081 -8.182 -1.477) 11.595 2.189 ( 8.081 8.182 -1.477) 11.595 2.296 ( -0.858 -2.647 8.319) 8.772 2.296 ( -0.858 2.647 8.319) 8.772 2.615 ( -1.472 -2.945 -2.679) 4.244 2.615 ( -1.472 2.945 -2.679) 4.244 2.772 ( 6.822 -5.722 -0.026) 8.904 2.772 ( 6.822 5.722 -0.026) 8.904 3.055 ( -1.571 -4.783 1.269) 5.192 3.055 ( -1.571 4.783 1.269) 5.192 3.137 ( -3.069 -8.246 -1.776) 8.976 3.137 ( -3.069 8.246 -1.776) 8.976 3.467 ( 1.046 -2.308 -0.577) 2.599 3.467 ( 1.046 2.308 -0.577) 2.599 3.986 ( -7.504 -5.708 -4.095) 10.279 3.986 ( -7.504 5.708 -4.095) 10.279 4.352 ( -8.881 -3.993 1.928) 9.926 4.352 ( -8.881 3.993 1.928) 9.926 4.667 ( -0.438 -1.244 1.864) 2.284 4.667 ( -0.438 1.244 1.864) 2.284 4.832 ( 2.111 -6.502 -1.143) 6.931 4.832 ( 2.111 6.502 -1.143) 6.931 4.995 ( -1.600 -1.861 -0.588) 2.523 4.995 ( -1.600 1.861 -0.588) 2.523 5.147 ( 0.971 -4.066 1.273) 4.370 5.147 ( 0.971 4.066 1.273) 4.370 5.203 ( 5.637 -3.903 -2.474) 7.289 5.203 ( 5.637 3.903 -2.474) 7.289 5.440 ( 0.504 -1.261 -0.015) 1.358 5.440 ( 0.504 1.261 -0.015) 1.358 5.707 ( -2.429 -1.463 1.102) 3.042 5.707 ( -2.429 1.463 1.102) 3.042 6.230 ( -1.387 -1.263 0.046) 1.877 6.230 ( -1.387 1.263 0.046) 1.877 6.372 ( 4.222 -3.100 0.646) 5.278 6.372 ( 4.222 3.100 0.646) 5.278 6.860 ( 0.060 -4.308 0.865) 4.394 6.860 ( 0.060 4.308 0.865) 4.394 6.892 ( 3.593 -1.548 -1.901) 4.350 6.892 ( 3.593 1.548 -1.901) 4.350 7.242 ( -1.835 -3.974 1.727) 4.706 7.242 ( -1.835 3.974 1.727) 4.706 7.474 ( 1.108 -1.931 -0.780) 2.359 7.474 ( 1.108 1.931 -0.780) 2.359 7.696 ( -1.798 -1.908 -2.131) 3.378 7.696 ( -1.798 1.908 -2.131) 3.378 7.798 ( 2.797 -1.475 -2.080) 3.785 7.798 ( 2.797 1.475 -2.080) 3.785 7.887 ( -3.734 -6.923 0.021) 7.866 7.887 ( -3.734 6.923 0.021) 7.866 8.251 ( 2.642 -2.981 0.244) 3.991 8.251 ( 2.642 2.981 0.244) 3.991 8.921 ( -5.183 -8.394 4.243) 10.739 8.921 ( -5.183 8.394 4.243) 10.739 9.207 ( 6.385 -3.826 1.935) 7.690 9.207 ( 6.385 3.826 1.935) 7.690 9.912 ( -1.543 -5.683 -1.855) 6.174 9.912 ( -1.543 5.683 -1.855) 6.174 10.482 ( -1.036 -1.251 -10.901) 11.022 10.482 ( -1.036 1.251 -10.901) 11.022 10.729 ( -0.465 -2.177 9.743) 9.994 10.729 ( -0.465 2.177 9.743) 9.994 11.376 ( 1.883 -2.667 6.994) 7.718 11.376 ( 1.883 2.667 6.994) 7.718 12.067 ( -0.749 -3.074 -7.409) 8.056 12.067 ( -0.749 3.074 -7.409) 8.056 12.281 ( 0.450 -1.109 -4.448) 4.606 12.281 ( 0.450 1.109 -4.448) 4.607 12.621 ( -1.964 -2.804 1.078) 3.589 12.621 ( -1.964 2.804 1.078) 3.589 13.155 ( 2.703 -2.089 -0.767) 3.501 13.155 ( 2.703 2.089 -0.767) 3.501 13.790 ( -1.330 -1.057 6.515) 6.733 13.790 ( -1.330 1.057 6.515) 6.733 14.049 ( 1.394 -0.698 -0.369) 1.601 14.049 ( 1.393 0.698 -0.369) 1.601 14.559 ( -5.407 -4.903 -0.290) 7.305 14.559 ( -5.407 4.903 -0.290) 7.305 14.791 ( 4.119 -4.783 -0.564) 6.337 14.791 ( 4.119 4.783 -0.564) 6.337 15.678 ( -7.321 -1.987 1.732) 7.781 15.678 ( -7.321 1.987 1.732) 7.781 16.438 ( 1.270 -3.415 0.237) 3.651 16.438 ( 1.270 3.415 0.237) 3.651 16.757 ( 1.122 -4.994 -1.409) 5.309 16.757 ( 1.122 4.994 -1.409) 5.309 17.502 ( -1.364 -1.127 -2.735) 3.258 17.502 ( -1.364 1.127 -2.735) 3.258 18.477 ( -0.341 -1.345 1.582) 2.104 18.477 ( -0.341 1.345 1.582) 2.104 ======================= Grid point 116 (62/108) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.937 -5.451 -0.978) 5.617 1.605 ( 0.937 5.451 -0.978) 5.617 1.842 ( 0.126 -4.631 -1.062) 4.752 1.842 ( 0.126 4.630 -1.062) 4.752 2.001 ( 1.549 -4.167 0.153) 4.448 2.001 ( 1.549 4.167 0.153) 4.448 2.313 ( -0.272 -4.721 3.233) 5.729 2.313 ( -0.272 4.721 3.233) 5.729 2.361 ( 7.537 -3.844 0.596) 8.481 2.361 ( 7.537 3.844 0.596) 8.481 2.584 ( 0.711 -2.893 0.390) 3.005 2.584 ( 0.711 2.893 0.391) 3.005 2.896 ( 4.653 -3.453 1.085) 5.895 2.896 ( 4.653 3.453 1.085) 5.895 3.040 ( -0.926 -5.127 1.965) 5.569 3.040 ( -0.926 5.127 1.965) 5.569 3.091 ( -1.504 -8.393 1.466) 8.652 3.091 ( -1.504 8.393 1.466) 8.652 3.484 ( 2.838 -4.667 -3.050) 6.256 3.484 ( 2.838 4.667 -3.050) 6.256 3.820 ( -7.839 -7.306 -2.000) 10.901 3.820 ( -7.839 7.306 -2.000) 10.901 4.154 ( -12.895 -2.490 0.219) 13.135 4.154 ( -12.895 2.490 0.219) 13.135 4.684 ( 0.072 -1.175 3.129) 3.344 4.684 ( 0.072 1.175 3.129) 3.344 4.857 ( 1.231 -5.380 -1.918) 5.843 4.857 ( 1.231 5.380 -1.918) 5.843 4.980 ( 0.925 -1.872 0.420) 2.130 4.980 ( 0.925 1.872 0.420) 2.130 5.156 ( -0.109 -3.607 -0.306) 3.622 5.156 ( -0.109 3.607 -0.306) 3.622 5.269 ( 1.844 -0.159 -3.023) 3.545 5.269 ( 1.844 0.159 -3.023) 3.545 5.446 ( 1.080 -2.949 0.030) 3.141 5.446 ( 1.080 2.949 0.030) 3.141 5.698 ( 0.154 -3.523 2.072) 4.090 5.698 ( 0.154 3.523 2.072) 4.090 6.171 ( -4.360 -0.409 -0.912) 4.473 6.171 ( -4.360 0.409 -0.912) 4.473 6.454 ( 4.429 -5.335 -0.739) 6.973 6.454 ( 4.429 5.336 -0.739) 6.973 6.859 ( -0.509 -2.872 0.657) 2.990 6.859 ( -0.509 2.872 0.657) 2.990 6.966 ( 5.638 -3.277 -3.029) 7.190 6.966 ( 5.638 3.277 -3.029) 7.190 7.227 ( -1.330 -3.897 1.228) 4.297 7.227 ( -1.330 3.897 1.228) 4.297 7.470 ( -0.989 -3.947 -0.627) 4.117 7.470 ( -0.989 3.947 -0.627) 4.117 7.671 ( -0.193 -0.889 0.034) 0.911 7.671 ( -0.193 0.889 0.034) 0.911 7.758 ( -2.724 -4.330 -2.604) 5.740 7.758 ( -2.724 4.330 -2.604) 5.740 7.916 ( 3.189 -3.582 3.103) 5.712 7.916 ( 3.188 3.582 3.103) 5.712 8.309 ( 3.730 -3.711 -0.062) 5.261 8.309 ( 3.730 3.711 -0.062) 5.261 8.811 ( -7.565 -7.859 0.543) 10.921 8.811 ( -7.565 7.859 0.543) 10.921 9.358 ( 7.063 -5.065 3.433) 9.344 9.358 ( 7.063 5.065 3.433) 9.344 9.838 ( -4.195 -6.228 -4.080) 8.546 9.838 ( -4.195 6.228 -4.080) 8.546 10.431 ( 1.410 -1.155 -5.892) 6.167 10.431 ( 1.410 1.155 -5.892) 6.167 10.780 ( -0.930 -1.624 9.415) 9.599 10.780 ( -0.930 1.624 9.415) 9.599 11.423 ( -0.189 -2.658 1.496) 3.056 11.423 ( -0.189 2.658 1.496) 3.056 12.033 ( 1.567 -1.382 -3.422) 4.009 12.033 ( 1.567 1.382 -3.422) 4.009 12.283 ( 2.106 -1.585 -2.214) 3.442 12.283 ( 2.106 1.585 -2.214) 3.442 12.597 ( -1.794 -3.458 2.080) 4.416 12.597 ( -1.794 3.458 2.080) 4.416 13.205 ( 3.555 -2.799 -1.619) 4.805 13.205 ( 3.555 2.799 -1.619) 4.805 13.765 ( -4.781 -1.476 2.768) 5.718 13.765 ( -4.781 1.476 2.768) 5.718 14.084 ( 2.676 -1.546 -0.082) 3.092 14.084 ( 2.676 1.546 -0.081) 3.092 14.464 ( -5.466 -2.098 1.533) 6.052 14.464 ( -5.466 2.098 1.534) 6.052 14.878 ( 6.391 -3.924 -0.900) 7.553 14.878 ( 6.391 3.924 -0.900) 7.553 15.507 ( -11.989 -2.122 0.491) 12.186 15.507 ( -11.989 2.122 0.491) 12.186 16.456 ( 0.740 -4.497 -0.733) 4.616 16.456 ( 0.740 4.497 -0.733) 4.616 16.767 ( 0.987 -5.223 -1.547) 5.536 16.767 ( 0.987 5.223 -1.547) 5.536 17.484 ( 0.372 -0.442 0.268) 0.637 17.484 ( 0.372 0.442 0.268) 0.637 18.468 ( -1.282 -0.737 0.292) 1.507 18.468 ( -1.282 0.737 0.292) 1.507 ======================= Grid point 118 (63/108) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 0.769 -8.448 -0.730) 8.515 1.614 ( 0.769 8.448 -0.730) 8.515 1.833 ( -0.672 -2.525 -2.274) 3.464 1.833 ( -0.672 2.525 -2.274) 3.464 2.022 ( 1.335 -4.762 -1.030) 5.052 2.022 ( 1.335 4.762 -1.030) 5.052 2.267 ( -4.841 -3.384 1.939) 6.217 2.267 ( -4.841 3.384 1.939) 6.217 2.466 ( 3.956 -2.133 -1.719) 4.812 2.466 ( 3.956 2.133 -1.719) 4.812 2.681 ( 6.904 -4.657 2.754) 8.771 2.681 ( 6.904 4.657 2.754) 8.771 2.901 ( -2.827 -6.978 -0.692) 7.561 2.901 ( -2.827 6.978 -0.692) 7.561 3.028 ( -3.060 -4.339 2.144) 5.726 3.028 ( -3.060 4.339 2.144) 5.726 3.119 ( 1.897 -2.851 3.140) 4.646 3.119 ( 1.897 2.851 3.140) 4.646 3.535 ( 2.679 -3.886 -0.287) 4.729 3.535 ( 2.679 3.886 -0.287) 4.729 3.718 ( -0.927 -4.338 -2.385) 5.036 3.718 ( -0.927 4.338 -2.385) 5.036 3.956 ( -7.172 -0.817 1.517) 7.376 3.956 ( -7.172 0.817 1.517) 7.376 4.695 ( -1.212 -1.122 2.477) 2.977 4.695 ( -1.212 1.122 2.477) 2.977 4.865 ( 1.416 -2.681 -0.708) 3.114 4.865 ( 1.416 2.681 -0.708) 3.114 5.003 ( -0.296 -3.709 -0.595) 3.768 5.003 ( -0.296 3.709 -0.595) 3.768 5.145 ( 0.575 -2.680 -1.757) 3.255 5.145 ( 0.575 2.680 -1.757) 3.255 5.253 ( -0.224 -2.045 -3.163) 3.773 5.253 ( -0.224 2.045 -3.163) 3.773 5.465 ( 0.216 -4.176 0.199) 4.187 5.465 ( 0.216 4.176 0.199) 4.187 5.730 ( 1.059 -3.734 2.709) 4.733 5.730 ( 1.059 3.734 2.709) 4.733 6.090 ( -2.695 -0.089 -2.163) 3.457 6.090 ( -2.695 0.089 -2.163) 3.457 6.518 ( 3.053 -4.600 0.339) 5.532 6.518 ( 3.053 4.600 0.339) 5.532 6.840 ( -1.803 -2.033 -2.060) 3.410 6.840 ( -1.803 2.034 -2.060) 3.410 7.018 ( 1.819 -4.339 -5.379) 7.146 7.018 ( 1.819 4.339 -5.378) 7.146 7.208 ( -0.320 -2.681 0.642) 2.776 7.208 ( -0.320 2.681 0.642) 2.776 7.454 ( -0.139 -4.153 0.374) 4.172 7.454 ( -0.139 4.153 0.374) 4.172 7.682 ( -1.613 -4.054 1.906) 4.761 7.682 ( -1.613 4.054 1.906) 4.761 7.725 ( 1.920 -2.051 1.036) 2.994 7.725 ( 1.920 2.051 1.036) 2.994 7.981 ( 1.465 -2.722 2.417) 3.925 7.981 ( 1.465 2.722 2.417) 3.925 8.376 ( 3.003 -2.008 0.095) 3.614 8.376 ( 3.003 2.008 0.095) 3.614 8.690 ( -4.964 -6.598 -0.793) 8.295 8.690 ( -4.964 6.598 -0.793) 8.295 9.460 ( 0.775 -3.493 2.375) 4.294 9.460 ( 0.775 3.493 2.375) 4.294 9.744 ( -1.016 -4.928 -5.907) 7.760 9.744 ( -1.016 4.928 -5.907) 7.760 10.449 ( 2.815 -2.679 -0.987) 4.009 10.449 ( 2.815 2.679 -0.987) 4.009 10.814 ( -1.490 -1.187 7.894) 8.121 10.814 ( -1.490 1.187 7.894) 8.121 11.386 ( -2.944 -2.147 -3.142) 4.811 11.386 ( -2.944 2.147 -3.142) 4.811 12.082 ( 3.918 -0.848 1.727) 4.365 12.082 ( 3.918 0.848 1.727) 4.365 12.320 ( 2.502 -2.844 0.225) 3.794 12.320 ( 2.502 2.844 0.225) 3.794 12.583 ( -1.267 -3.423 2.034) 4.179 12.583 ( -1.267 3.423 2.034) 4.179 13.253 ( 2.794 -2.637 -1.957) 4.312 13.253 ( 2.794 2.637 -1.957) 4.312 13.669 ( -5.718 -1.381 -1.333) 6.032 13.669 ( -5.718 1.381 -1.333) 6.032 14.142 ( 2.981 -2.004 1.236) 3.799 14.142 ( 2.981 2.004 1.236) 3.799 14.392 ( -3.549 -0.716 2.311) 4.296 14.392 ( -3.549 0.716 2.311) 4.296 15.006 ( 7.850 -2.608 -0.517) 8.288 15.006 ( 7.850 2.608 -0.517) 8.288 15.288 ( -10.787 -3.250 -1.318) 11.343 15.288 ( -10.787 3.250 -1.318) 11.343 16.453 ( -0.151 -4.634 -1.833) 4.986 16.453 ( -0.151 4.634 -1.833) 4.986 16.772 ( 0.682 -5.095 -1.503) 5.356 16.772 ( 0.682 5.095 -1.504) 5.356 17.515 ( 1.533 -1.323 3.262) 3.839 17.515 ( 1.533 1.323 3.262) 3.839 18.440 ( -1.289 -0.104 -1.102) 1.699 18.440 ( -1.289 0.104 -1.102) 1.699 ======================= Grid point 120 (64/108) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.623 -10.839 -0.789) 10.886 1.622 ( 0.623 10.839 -0.789) 10.886 1.792 ( -2.194 -8.785 -0.867) 9.096 1.792 ( -2.194 8.785 -0.867) 9.096 2.010 ( -1.895 -5.436 -3.095) 6.536 2.010 ( -1.895 5.436 -3.095) 6.536 2.220 ( -2.392 -2.661 5.507) 6.567 2.220 ( -2.392 2.661 5.507) 6.567 2.495 ( 2.167 -7.342 -6.272) 9.897 2.495 ( 2.167 7.342 -6.272) 9.897 2.729 ( -6.409 -4.483 3.624) 8.620 2.729 ( -6.409 4.483 3.625) 8.620 2.846 ( -1.416 -4.900 -2.242) 5.572 2.846 ( -1.416 4.900 -2.242) 5.572 3.013 ( 1.795 -1.783 2.526) 3.575 3.013 ( 1.795 1.783 2.526) 3.575 3.167 ( 1.157 -3.481 4.405) 5.732 3.167 ( 1.157 3.481 4.405) 5.732 3.471 ( -6.726 -5.773 -3.344) 9.474 3.471 ( -6.726 5.773 -3.344) 9.474 3.820 ( 10.553 -8.779 2.836) 14.017 3.820 ( 10.553 8.779 2.836) 14.017 3.971 ( 6.360 -0.708 1.138) 6.499 3.971 ( 6.360 0.708 1.138) 6.499 4.672 ( -2.571 -2.187 1.504) 3.695 4.672 ( -2.571 2.187 1.503) 3.695 4.906 ( 2.249 -1.662 1.392) 3.123 4.906 ( 2.249 1.662 1.392) 3.123 4.945 ( -3.375 -3.965 -2.457) 5.758 4.945 ( -3.375 3.965 -2.457) 5.758 5.159 ( 0.902 -2.102 -1.563) 2.770 5.159 ( 0.902 2.102 -1.563) 2.770 5.234 ( 0.974 -2.034 -4.342) 4.893 5.234 ( 0.974 2.034 -4.342) 4.893 5.456 ( -1.136 -4.327 0.259) 4.481 5.456 ( -1.136 4.327 0.259) 4.481 5.744 ( -1.756 -1.773 3.310) 4.146 5.744 ( -1.756 1.773 3.310) 4.146 6.078 ( 3.221 -1.379 -2.585) 4.354 6.078 ( 3.221 1.379 -2.585) 4.354 6.560 ( -0.515 -3.285 2.085) 3.925 6.560 ( -0.515 3.285 2.085) 3.925 6.761 ( -2.982 -1.040 -5.261) 6.136 6.761 ( -2.982 1.040 -5.261) 6.136 6.964 ( -2.830 -2.293 -3.711) 5.200 6.964 ( -2.830 2.293 -3.711) 5.200 7.242 ( 2.699 -4.192 -0.169) 4.988 7.242 ( 2.699 4.192 -0.169) 4.988 7.464 ( 0.959 -5.257 -0.252) 5.350 7.464 ( 0.959 5.257 -0.252) 5.350 7.665 ( -0.032 -3.424 1.088) 3.593 7.665 ( -0.032 3.424 1.088) 3.593 7.793 ( 1.222 -0.118 4.606) 4.767 7.793 ( 1.222 0.118 4.606) 4.767 8.002 ( 0.480 -2.228 1.152) 2.554 8.002 ( 0.480 2.228 1.152) 2.554 8.378 ( -3.237 -3.043 0.289) 4.452 8.378 ( -3.237 3.043 0.289) 4.452 8.659 ( 2.328 -5.000 -1.239) 5.653 8.659 ( 2.328 5.000 -1.239) 5.653 9.401 ( -6.613 -2.949 0.531) 7.260 9.401 ( -6.613 2.949 0.531) 7.260 9.756 ( 5.017 -3.816 -4.930) 8.002 9.756 ( 5.017 3.816 -4.930) 8.002 10.507 ( 2.839 -3.724 2.132) 5.145 10.507 ( 2.839 3.724 2.132) 5.145 10.830 ( -1.326 -0.597 4.803) 5.018 10.830 ( -1.326 0.597 4.803) 5.018 11.296 ( -4.419 -1.483 -2.820) 5.448 11.296 ( -4.419 1.483 -2.820) 5.448 12.164 ( 3.024 -1.420 1.966) 3.877 12.164 ( 3.024 1.420 1.966) 3.877 12.368 ( 1.643 -3.811 2.242) 4.717 12.368 ( 1.643 3.811 2.242) 4.717 12.584 ( 0.349 -2.770 1.418) 3.132 12.584 ( 0.349 2.770 1.418) 3.132 13.263 ( -1.006 -1.587 -1.293) 2.281 13.263 ( -1.006 1.587 -1.293) 2.281 13.578 ( -1.896 -1.734 -3.220) 4.120 13.578 ( -1.896 1.734 -3.220) 4.120 14.170 ( -1.792 -0.367 1.673) 2.479 14.170 ( -1.792 0.367 1.673) 2.479 14.398 ( 3.269 -4.200 2.313) 5.803 14.398 ( 3.269 4.200 2.313) 5.803 15.022 ( -7.725 -4.359 -0.188) 8.872 15.022 ( -7.725 4.359 -0.188) 8.872 15.251 ( 9.828 -3.172 -2.088) 10.536 15.251 ( 9.828 3.172 -2.088) 10.536 16.431 ( -0.634 -3.694 -2.144) 4.317 16.431 ( -0.634 3.694 -2.144) 4.317 16.772 ( 0.357 -4.835 -1.401) 5.046 16.772 ( 0.357 4.835 -1.401) 5.046 17.569 ( 1.419 -1.411 4.205) 4.657 17.569 ( 1.419 1.411 4.205) 4.657 18.415 ( -0.398 -0.982 -1.714) 2.015 18.415 ( -0.398 0.982 -1.714) 2.015 ======================= Grid point 122 (65/108) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -0.061 -11.847 1.059) 11.895 1.628 ( -0.061 11.847 1.059) 11.895 1.751 ( -2.694 -10.626 2.039) 11.150 1.751 ( -2.694 10.626 2.039) 11.150 1.948 ( -1.513 -4.169 -2.840) 5.267 1.948 ( -1.513 4.169 -2.840) 5.267 2.215 ( -3.225 -4.534 4.366) 7.072 2.215 ( -3.225 4.534 4.366) 7.072 2.476 ( 0.276 -5.790 -5.732) 8.152 2.476 ( 0.276 5.790 -5.732) 8.152 2.577 ( -8.440 -6.586 -0.067) 10.706 2.577 ( -8.440 6.586 -0.067) 10.706 2.810 ( -1.622 -3.235 -1.842) 4.060 2.810 ( -1.622 3.235 -1.842) 4.060 3.079 ( 1.823 -3.661 2.671) 4.884 3.079 ( 1.823 3.661 2.671) 4.884 3.218 ( 1.760 -1.827 2.124) 3.309 3.218 ( 1.760 1.827 2.124) 3.309 3.360 ( -3.165 -7.907 0.760) 8.551 3.360 ( -3.165 7.907 0.760) 8.551 4.029 ( 8.519 -8.155 3.046) 12.180 4.029 ( 8.519 8.155 3.046) 12.180 4.149 ( 12.701 -2.973 -0.280) 13.048 4.149 ( 12.701 2.973 -0.280) 13.048 4.631 ( -2.190 -2.856 0.223) 3.606 4.631 ( -2.190 2.856 0.223) 3.606 4.853 ( -3.575 -4.942 -1.889) 6.386 4.853 ( -3.575 4.942 -1.889) 6.386 4.977 ( 2.719 -1.166 1.144) 3.172 4.977 ( 2.719 1.166 1.144) 3.172 5.137 ( -2.078 -1.597 -0.791) 2.737 5.137 ( -2.078 1.597 -0.791) 2.737 5.234 ( 2.327 -1.668 -5.152) 5.894 5.234 ( 2.327 1.668 -5.152) 5.894 5.425 ( -2.976 -5.101 0.581) 5.934 5.425 ( -2.976 5.101 0.581) 5.934 5.740 ( -0.308 -0.664 3.684) 3.756 5.740 ( -0.308 0.664 3.684) 3.756 6.149 ( 5.618 -1.937 -2.111) 6.306 6.149 ( 5.618 1.937 -2.111) 6.306 6.464 ( -9.117 -3.293 -1.113) 9.757 6.464 ( -9.117 3.293 -1.113) 9.757 6.751 ( 3.341 -1.436 -0.970) 3.763 6.751 ( 3.341 1.436 -0.970) 3.763 6.898 ( -1.992 -1.435 -2.903) 3.802 6.898 ( -1.992 1.435 -2.903) 3.802 7.270 ( 0.076 -2.142 1.232) 2.472 7.270 ( 0.076 2.142 1.232) 2.472 7.489 ( 2.298 -5.200 -1.645) 5.918 7.489 ( 2.298 5.200 -1.645) 5.918 7.686 ( 0.383 -2.533 0.466) 2.604 7.686 ( 0.383 2.533 0.466) 2.604 7.795 ( -1.779 -2.298 1.664) 3.349 7.795 ( -1.779 2.298 1.664) 3.349 8.041 ( 1.879 -1.223 2.486) 3.347 8.041 ( 1.879 1.223 2.486) 3.347 8.294 ( -5.269 -3.834 -0.202) 6.520 8.294 ( -5.269 3.834 -0.202) 6.520 8.716 ( 4.024 -4.889 -1.145) 6.435 8.716 ( 4.024 4.889 -1.145) 6.435 9.289 ( -5.942 -0.423 1.581) 6.164 9.289 ( -5.942 0.423 1.581) 6.164 9.821 ( 5.105 -3.532 -4.066) 7.421 9.821 ( 5.105 3.532 -4.066) 7.421 10.567 ( 1.529 -4.102 3.832) 5.818 10.567 ( 1.529 4.102 3.832) 5.818 10.821 ( -1.149 -0.878 -1.843) 2.342 10.821 ( -1.149 0.878 -1.843) 2.342 11.215 ( -3.968 -0.443 2.837) 4.898 11.215 ( -3.968 0.443 2.837) 4.898 12.199 ( 0.559 -0.537 -0.908) 1.194 12.199 ( 0.559 0.537 -0.908) 1.194 12.393 ( -0.459 -4.064 1.353) 4.308 12.393 ( -0.459 4.064 1.353) 4.308 12.619 ( 2.534 -1.485 0.686) 3.016 12.619 ( 2.534 1.485 0.686) 3.016 13.204 ( -3.761 -1.014 -1.440) 4.153 13.204 ( -3.761 1.014 -1.440) 4.153 13.574 ( 2.317 -3.249 -0.060) 3.991 13.574 ( 2.317 3.249 -0.060) 3.991 14.120 ( -3.616 -0.917 0.541) 3.770 14.120 ( -3.616 0.917 0.541) 3.770 14.508 ( 6.079 -6.298 2.346) 9.062 14.508 ( 6.079 6.298 2.346) 9.062 14.879 ( -6.699 -6.041 -1.056) 9.082 14.879 ( -6.699 6.041 -1.056) 9.082 15.452 ( 11.998 -2.910 -0.694) 12.365 15.452 ( 11.998 2.910 -0.694) 12.365 16.409 ( -0.402 -2.497 -1.407) 2.895 16.409 ( -0.402 2.497 -1.407) 2.895 16.766 ( -0.062 -4.537 -1.361) 4.737 16.766 ( -0.062 4.537 -1.361) 4.737 17.608 ( 0.288 -1.472 2.384) 2.817 17.608 ( 0.288 1.472 2.384) 2.817 18.409 ( 0.759 -1.568 -0.878) 1.951 18.409 ( 0.759 1.568 -0.878) 1.951 ======================= Grid point 124 (66/108) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -2.126 -5.284 0.557) 5.723 1.615 ( -2.126 5.284 0.557) 5.723 1.755 ( 0.242 -12.660 8.008) 14.983 1.755 ( 0.242 12.660 8.009) 14.983 1.932 ( 0.943 -5.219 -1.775) 5.593 1.932 ( 0.943 5.219 -1.775) 5.593 2.155 ( -3.771 -4.062 -1.143) 5.659 2.155 ( -3.771 4.062 -1.143) 5.659 2.371 ( -8.153 -5.973 2.794) 10.486 2.371 ( -8.153 5.973 2.794) 10.486 2.551 ( 4.553 -5.115 -3.985) 7.923 2.551 ( 4.553 5.115 -3.985) 7.923 2.754 ( -1.968 -5.762 -4.459) 7.547 2.754 ( -1.968 5.762 -4.459) 7.547 3.099 ( -1.008 -4.334 2.217) 4.972 3.099 ( -1.008 4.334 2.217) 4.972 3.234 ( 0.257 -6.311 -2.690) 6.865 3.234 ( 0.257 6.311 -2.690) 6.865 3.377 ( 1.098 -3.517 6.605) 7.563 3.377 ( 1.098 3.517 6.605) 7.563 4.137 ( 3.136 -6.262 -2.127) 7.319 4.137 ( 3.136 6.262 -2.127) 7.319 4.360 ( 7.449 -4.757 3.168) 9.389 4.360 ( 7.449 4.757 3.168) 9.389 4.626 ( 2.932 -2.537 -1.313) 4.093 4.626 ( 2.932 2.537 -1.313) 4.093 4.796 ( -1.010 -4.542 -2.103) 5.106 4.796 ( -1.010 4.542 -2.103) 5.106 4.999 ( -0.374 -2.093 -0.609) 2.211 4.999 ( -0.374 2.093 -0.609) 2.211 5.100 ( -1.080 -3.588 -0.577) 3.792 5.100 ( -1.080 3.588 -0.577) 3.792 5.244 ( -0.493 -0.741 0.149) 0.902 5.244 ( -0.493 0.741 0.149) 0.902 5.374 ( -0.940 -4.509 -0.781) 4.671 5.374 ( -0.940 4.509 -0.781) 4.671 5.772 ( 0.466 -0.586 2.576) 2.682 5.772 ( 0.466 0.586 2.576) 2.682 6.222 ( 2.894 -0.810 -2.181) 3.714 6.222 ( 2.894 0.810 -2.181) 3.714 6.313 ( -5.080 -4.104 0.780) 6.578 6.313 ( -5.080 4.104 0.780) 6.578 6.809 ( 2.625 -1.484 0.596) 3.074 6.809 ( 2.625 1.484 0.596) 3.074 6.860 ( -0.142 -0.632 -2.753) 2.829 6.860 ( -0.142 0.632 -2.753) 2.829 7.275 ( -0.685 -0.369 2.293) 2.421 7.275 ( -0.685 0.369 2.293) 2.421 7.496 ( -1.396 -1.083 -0.639) 1.878 7.496 ( -1.396 1.083 -0.639) 1.878 7.679 ( 1.833 -6.309 -2.993) 7.219 7.679 ( 1.833 6.309 -2.993) 7.219 7.796 ( 0.179 -0.894 -0.245) 0.944 7.796 ( 0.179 0.894 -0.245) 0.944 8.053 ( -2.839 -1.347 1.728) 3.586 8.053 ( -2.839 1.347 1.728) 3.586 8.220 ( -1.895 -4.563 -0.545) 4.970 8.220 ( -1.895 4.563 -0.545) 4.970 8.789 ( 4.338 -8.071 1.878) 9.353 8.789 ( 4.338 8.071 1.878) 9.353 9.213 ( -4.113 -2.389 2.005) 5.162 9.213 ( -4.113 2.389 2.005) 5.162 9.880 ( 3.916 -3.611 -2.808) 6.022 9.880 ( 3.916 3.611 -2.808) 6.022 10.609 ( 0.291 -3.997 4.055) 5.701 10.609 ( 0.291 3.997 4.055) 5.701 10.752 ( -2.811 -0.476 -7.980) 8.474 10.752 ( -2.811 0.476 -7.980) 8.474 11.211 ( -0.807 -0.740 9.191) 9.256 11.211 ( -0.807 0.740 9.191) 9.256 12.181 ( -0.685 -1.086 -3.721) 3.936 12.181 ( -0.685 1.086 -3.721) 3.936 12.370 ( -1.580 -3.351 -2.097) 4.257 12.370 ( -1.580 3.351 -2.097) 4.257 12.658 ( 1.343 -0.672 -0.897) 1.749 12.658 ( 1.343 0.672 -0.897) 1.749 13.139 ( -2.112 -1.027 -0.995) 2.551 13.139 ( -2.112 1.027 -0.995) 2.551 13.644 ( 3.218 -3.167 5.169) 6.863 13.644 ( 3.218 3.167 5.169) 6.863 14.067 ( -2.238 -0.968 -0.245) 2.451 14.067 ( -2.238 0.968 -0.245) 2.451 14.619 ( 4.501 -6.874 1.473) 8.348 14.619 ( 4.501 6.874 1.473) 8.348 14.772 ( -4.432 -5.997 -1.384) 7.585 14.772 ( -4.432 5.997 -1.384) 7.585 15.639 ( 8.129 -3.145 0.636) 8.740 15.639 ( 8.129 3.145 0.636) 8.740 16.402 ( 0.264 -1.918 -0.244) 1.951 16.402 ( 0.264 1.918 -0.244) 1.951 16.755 ( -0.093 -4.364 -1.332) 4.563 16.755 ( -0.093 4.364 -1.332) 4.563 17.604 ( -1.240 -2.102 -1.040) 2.653 17.604 ( -1.240 2.102 -1.040) 2.653 18.429 ( 1.342 -1.745 0.876) 2.370 18.429 ( 1.342 1.745 0.876) 2.370 ======================= Grid point 154 (67/108) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -0.952 0.000 16.415) 16.443 0.743 ( -3.776 0.000 18.686) 19.064 1.053 ( 0.702 0.000 -14.923) 14.939 1.160 ( 3.715 0.000 -18.806) 19.170 1.788 ( -4.311 0.000 3.933) 5.836 1.875 ( 8.320 0.000 -5.078) 9.747 2.008 ( 2.626 0.000 27.209) 27.335 2.181 ( 6.733 0.000 -0.715) 6.771 2.203 ( -1.852 0.000 1.234) 2.225 2.238 ( -9.291 0.000 -1.020) 9.347 2.441 ( 2.586 0.000 -1.930) 3.227 2.607 ( -0.985 0.000 -4.735) 4.837 2.621 ( 2.807 0.000 10.154) 10.534 2.847 ( -3.931 0.000 -8.873) 9.705 3.143 ( -2.517 0.000 4.161) 4.863 3.191 ( 2.125 0.000 -0.806) 2.273 3.378 ( -5.592 0.000 3.819) 6.772 3.428 ( 1.194 0.000 -1.003) 1.560 3.663 ( -1.714 0.000 -7.350) 7.547 3.680 ( 6.122 0.000 -9.344) 11.171 4.060 ( 6.359 0.000 2.952) 7.011 4.149 ( -6.008 0.000 -5.131) 7.901 4.371 ( -10.410 0.000 0.179) 10.411 4.380 ( 7.529 0.000 -1.241) 7.630 4.698 ( 5.435 0.000 7.642) 9.377 4.853 ( -4.150 0.000 -5.575) 6.950 4.914 ( 3.540 0.000 1.727) 3.939 4.976 ( -3.499 0.000 -3.163) 4.717 5.095 ( -2.973 0.000 1.333) 3.259 5.110 ( 2.716 0.000 0.782) 2.826 5.207 ( 1.555 0.000 2.992) 3.372 5.220 ( 0.199 0.000 1.323) 1.338 5.497 ( -3.042 0.000 0.529) 3.088 5.531 ( 2.439 0.000 -1.881) 3.080 5.721 ( -0.722 0.000 5.171) 5.221 5.821 ( -4.279 0.000 -3.297) 5.402 5.883 ( 0.681 0.000 3.715) 3.777 5.948 ( 0.877 0.000 -2.434) 2.587 6.183 ( -4.925 0.000 1.730) 5.220 6.201 ( 2.812 0.000 1.287) 3.092 6.380 ( 6.684 0.000 -0.594) 6.710 6.446 ( -6.359 0.000 -4.619) 7.859 6.524 ( -0.675 0.000 -0.521) 0.853 6.535 ( 0.559 0.000 -0.882) 1.044 6.957 ( 1.515 0.000 3.365) 3.691 7.039 ( -1.031 0.000 -4.271) 4.393 7.110 ( -1.080 0.000 5.243) 5.353 7.199 ( 0.151 0.000 -3.463) 3.466 7.314 ( 1.809 0.000 2.829) 3.358 7.379 ( -1.618 0.000 -2.708) 3.154 7.577 ( -0.459 0.000 4.300) 4.324 7.674 ( -1.557 0.000 -4.313) 4.586 7.742 ( 0.509 0.000 1.240) 1.340 7.794 ( 1.750 0.000 -2.818) 3.318 8.054 ( 1.773 0.000 2.593) 3.142 8.094 ( -1.588 0.000 -0.694) 1.733 8.278 ( 6.080 0.000 6.711) 9.055 8.407 ( -9.698 0.000 -4.247) 10.587 8.640 ( -2.273 0.000 -0.529) 2.334 8.655 ( 2.890 0.000 -1.491) 3.252 9.410 ( 0.042 0.000 7.383) 7.383 9.602 ( -0.414 0.000 -8.649) 8.659 10.091 ( -0.515 0.000 7.203) 7.221 10.211 ( -3.796 0.000 0.505) 3.830 10.370 ( 1.292 0.000 -2.830) 3.111 10.377 ( 1.902 0.000 -0.984) 2.141 11.019 ( -0.333 0.000 3.797) 3.812 11.053 ( 1.935 0.000 1.450) 2.418 11.256 ( -1.503 0.000 -0.338) 1.541 11.400 ( -3.644 0.000 -11.399) 11.968 11.792 ( 1.358 0.000 8.208) 8.320 11.907 ( -1.257 0.000 -1.337) 1.835 12.174 ( 1.746 0.000 -1.506) 2.306 12.184 ( -0.899 0.000 -0.719) 1.151 12.346 ( 2.588 0.000 -1.755) 3.127 12.346 ( -3.701 0.000 0.089) 3.702 13.263 ( -3.366 0.000 2.698) 4.314 13.309 ( 5.619 0.000 -1.631) 5.851 13.504 ( 1.149 0.000 8.017) 8.099 13.652 ( -3.511 0.000 -3.897) 5.245 14.240 ( 1.074 0.000 4.048) 4.188 14.366 ( 1.125 0.000 -6.121) 6.223 14.604 ( 0.754 0.000 6.505) 6.549 14.790 ( 0.876 0.000 -9.995) 10.034 14.939 ( -0.010 0.000 1.021) 1.021 14.974 ( 0.251 0.000 -2.338) 2.351 15.729 ( 2.707 0.000 7.764) 8.222 15.934 ( -0.891 0.000 -11.437) 11.472 16.606 ( -2.755 0.000 7.253) 7.759 16.735 ( 2.003 0.000 -4.281) 4.726 16.887 ( 1.074 0.000 2.224) 2.470 16.907 ( -5.883 0.000 -0.035) 5.883 17.770 ( 1.315 0.000 5.358) 5.517 17.882 ( 2.885 0.000 -4.576) 5.409 18.433 ( -6.775 0.000 2.159) 7.111 18.476 ( 10.946 0.000 -1.605) 11.063 ======================= Grid point 155 (68/108) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 2.049 0.000 10.629) 10.825 0.884 ( 8.794 0.000 14.402) 16.874 1.102 ( 13.511 0.000 -8.083) 15.744 1.185 ( 12.198 0.000 -17.518) 21.346 1.717 ( -6.543 0.000 -4.464) 7.921 1.947 ( 1.291 0.000 -2.976) 3.244 2.019 ( -4.300 0.000 4.998) 6.593 2.166 ( -0.606 0.000 -1.893) 1.988 2.238 ( 1.087 0.000 5.432) 5.540 2.350 ( 8.841 0.000 4.511) 9.925 2.487 ( 0.418 0.000 9.930) 9.939 2.536 ( -0.803 0.000 -14.384) 14.406 2.708 ( -3.806 0.000 -7.848) 8.722 2.761 ( 4.684 0.000 9.715) 10.785 3.078 ( -6.925 0.000 2.883) 7.501 3.193 ( -1.905 0.000 -1.600) 2.487 3.287 ( -7.295 0.000 7.191) 10.243 3.402 ( -3.044 0.000 0.225) 3.052 3.609 ( 0.709 0.000 -4.608) 4.662 3.685 ( -0.849 0.000 -6.607) 6.661 4.004 ( -5.824 0.000 -5.845) 8.251 4.113 ( -4.009 0.000 5.070) 6.464 4.322 ( 5.337 0.000 0.340) 5.348 4.552 ( 9.359 0.000 1.641) 9.502 4.749 ( -1.343 0.000 -7.338) 7.460 4.846 ( 3.678 0.000 5.628) 6.723 4.898 ( 0.322 0.000 -2.279) 2.302 4.953 ( -1.490 0.000 2.308) 2.747 5.090 ( 2.253 0.000 1.252) 2.577 5.150 ( 0.222 0.000 1.512) 1.528 5.189 ( -3.758 0.000 -3.515) 5.146 5.194 ( -3.977 0.000 1.634) 4.300 5.403 ( -5.834 0.000 2.677) 6.419 5.495 ( -3.618 0.000 -2.058) 4.163 5.684 ( -7.440 0.000 6.288) 9.741 5.802 ( 2.238 0.000 -5.615) 6.045 5.962 ( 2.515 0.000 -3.122) 4.009 6.002 ( 8.564 0.000 4.565) 9.705 6.212 ( 4.439 0.000 3.382) 5.581 6.304 ( -2.667 0.000 -5.743) 6.332 6.305 ( 6.236 0.000 1.912) 6.523 6.452 ( -0.321 0.000 1.830) 1.858 6.510 ( -1.058 0.000 0.767) 1.307 6.555 ( 3.179 0.000 -0.980) 3.327 7.056 ( 2.790 0.000 -2.521) 3.761 7.060 ( 5.800 0.000 2.414) 6.282 7.110 ( -0.106 0.000 2.844) 2.846 7.162 ( -0.414 0.000 -1.894) 1.939 7.360 ( 1.713 0.000 -4.110) 4.453 7.373 ( 2.448 0.000 1.100) 2.684 7.632 ( 0.681 0.000 5.334) 5.378 7.677 ( 3.530 0.000 -2.121) 4.119 7.746 ( -1.117 0.000 0.664) 1.299 7.804 ( 3.065 0.000 -3.373) 4.557 8.065 ( -0.848 0.000 -1.583) 1.796 8.129 ( 3.178 0.000 0.463) 3.211 8.258 ( -1.442 0.000 1.737) 2.258 8.528 ( 12.613 0.000 5.236) 13.656 8.582 ( -2.278 0.000 0.997) 2.486 8.674 ( 0.263 0.000 -1.988) 2.005 9.475 ( 1.528 0.000 8.684) 8.818 9.538 ( -0.652 0.000 -8.713) 8.737 10.106 ( -7.157 0.000 -2.140) 7.470 10.124 ( -1.551 0.000 10.040) 10.159 10.379 ( 1.489 0.000 -1.993) 2.488 10.405 ( 1.934 0.000 -2.124) 2.873 11.017 ( -2.810 0.000 0.769) 2.914 11.050 ( -1.729 0.000 -2.404) 2.962 11.280 ( -2.534 0.000 -4.926) 5.540 11.287 ( 1.727 0.000 8.825) 8.992 11.863 ( -1.733 0.000 -3.492) 3.899 11.863 ( 1.029 0.000 6.494) 6.575 12.163 ( 0.067 0.000 -2.957) 2.958 12.215 ( 2.911 0.000 1.119) 3.119 12.286 ( -2.470 0.000 -1.242) 2.765 12.405 ( 3.632 0.000 1.528) 3.940 13.195 ( -5.034 0.000 -0.052) 5.034 13.348 ( -0.189 0.000 -2.300) 2.308 13.554 ( -3.380 0.000 -4.164) 5.363 13.554 ( -1.627 0.000 8.435) 8.590 14.313 ( 4.384 0.000 3.016) 5.321 14.359 ( 2.397 0.000 -6.945) 7.346 14.669 ( 2.048 0.000 6.602) 6.912 14.711 ( -2.016 0.000 -10.012) 10.213 14.938 ( -0.888 0.000 1.118) 1.428 14.954 ( -0.663 0.000 -1.842) 1.958 15.724 ( -7.705 0.000 7.829) 10.984 15.728 ( -14.276 0.000 -11.542) 18.358 16.594 ( -3.720 0.000 6.858) 7.802 16.733 ( 0.805 0.000 -4.559) 4.629 16.785 ( -8.925 0.000 4.786) 10.127 16.903 ( -0.606 0.000 3.577) 3.628 17.774 ( -4.417 0.000 -0.945) 4.516 17.832 ( -2.632 0.000 -6.473) 6.988 18.260 ( -9.381 0.000 -1.144) 9.450 18.485 ( -5.404 0.000 0.349) 5.416 ======================= Grid point 156 (69/108) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 8.499 0.000 6.211) 10.526 1.160 ( 12.499 0.000 9.321) 15.592 1.334 ( 10.649 0.000 -5.405) 11.942 1.350 ( 15.715 0.000 -12.432) 20.038 1.520 ( -6.214 0.000 -1.472) 6.386 1.855 ( -8.940 0.000 -0.418) 8.949 2.056 ( 1.406 0.000 4.212) 4.441 2.175 ( 2.919 0.000 -5.928) 6.608 2.209 ( -3.143 0.000 -3.325) 4.576 2.303 ( -6.534 0.000 -18.665) 19.776 2.542 ( -3.211 0.000 7.832) 8.465 2.566 ( 6.470 0.000 -3.105) 7.177 2.681 ( 4.660 0.000 2.051) 5.092 2.882 ( 1.466 0.000 8.049) 8.181 2.958 ( -7.693 0.000 3.000) 8.257 3.108 ( -5.759 0.000 3.722) 6.857 3.249 ( -1.345 0.000 3.575) 3.819 3.349 ( -3.298 0.000 1.520) 3.632 3.583 ( -5.443 0.000 -2.484) 5.983 3.624 ( 3.484 0.000 -2.512) 4.295 3.877 ( -3.924 0.000 -5.552) 6.799 4.054 ( -6.575 0.000 5.248) 8.413 4.430 ( 4.585 0.000 0.580) 4.622 4.646 ( -0.641 0.000 1.280) 1.432 4.742 ( 3.331 0.000 -3.671) 4.957 4.878 ( 2.931 0.000 -2.325) 3.742 4.945 ( 2.267 0.000 -0.754) 2.389 5.017 ( 5.729 0.000 0.800) 5.784 5.058 ( -3.356 0.000 1.136) 3.543 5.129 ( -3.340 0.000 3.504) 4.841 5.153 ( -1.333 0.000 0.015) 1.333 5.157 ( 3.580 0.000 -0.216) 3.586 5.357 ( -2.041 0.000 2.169) 2.978 5.425 ( -1.823 0.000 -3.364) 3.826 5.559 ( -10.606 0.000 6.210) 12.290 5.684 ( -9.179 0.000 -6.089) 11.014 6.052 ( 8.682 0.000 -4.473) 9.767 6.179 ( 5.837 0.000 4.565) 7.410 6.289 ( 4.216 0.000 -5.724) 7.109 6.342 ( -1.689 0.000 -0.393) 1.734 6.350 ( 7.263 0.000 3.489) 8.057 6.465 ( -0.856 0.000 4.601) 4.680 6.496 ( -1.400 0.000 1.532) 2.076 6.628 ( 4.249 0.000 -0.339) 4.262 7.027 ( -3.279 0.000 1.082) 3.453 7.086 ( -0.965 0.000 -2.595) 2.769 7.188 ( 5.926 0.000 -1.197) 6.045 7.233 ( 5.256 0.000 1.857) 5.575 7.373 ( 2.780 0.000 -4.537) 5.321 7.431 ( 5.839 0.000 -2.424) 6.322 7.644 ( -1.942 0.000 3.923) 4.377 7.689 ( -1.379 0.000 -5.749) 5.912 7.708 ( -2.149 0.000 0.683) 2.255 7.866 ( 3.622 0.000 -0.317) 3.636 8.042 ( -0.645 0.000 -1.253) 1.409 8.110 ( -1.484 0.000 0.293) 1.513 8.460 ( 9.915 0.000 15.759) 18.619 8.487 ( -3.207 0.000 -2.866) 4.301 8.645 ( -0.577 0.000 -2.988) 3.044 8.846 ( 15.022 0.000 4.670) 15.731 9.464 ( -1.570 0.000 -7.813) 7.970 9.575 ( 2.990 0.000 8.234) 8.760 9.941 ( -9.114 0.000 -1.374) 9.217 10.176 ( -0.055 0.000 10.601) 10.601 10.401 ( 2.150 0.000 -1.126) 2.426 10.408 ( 0.828 0.000 -5.434) 5.497 10.913 ( -6.609 0.000 -3.666) 7.558 10.985 ( -3.383 0.000 -2.568) 4.247 11.266 ( 0.168 0.000 4.812) 4.815 11.399 ( 2.728 0.000 11.335) 11.658 11.805 ( -1.312 0.000 -5.499) 5.654 11.908 ( 0.544 0.000 2.907) 2.958 12.155 ( 0.578 0.000 -1.176) 1.310 12.228 ( -2.853 0.000 0.695) 2.936 12.299 ( 4.463 0.000 0.721) 4.521 12.476 ( 2.824 0.000 0.998) 2.995 13.095 ( -4.167 0.000 -3.351) 5.347 13.260 ( -7.151 0.000 -2.459) 7.562 13.512 ( 1.611 0.000 -4.710) 4.978 13.551 ( -4.557 0.000 7.172) 8.497 14.353 ( 2.020 0.000 -6.843) 7.135 14.421 ( 5.271 0.000 1.553) 5.495 14.600 ( -3.529 0.000 -8.131) 8.864 14.755 ( 3.134 0.000 0.633) 3.198 14.936 ( 0.722 0.000 1.777) 1.918 14.937 ( 0.067 0.000 -0.927) 0.929 15.345 ( -17.343 0.000 -6.916) 18.671 15.589 ( -12.833 0.000 9.214) 15.799 16.539 ( -7.282 0.000 5.420) 9.078 16.694 ( -4.363 0.000 7.231) 8.446 16.702 ( -0.710 0.000 -5.637) 5.681 16.915 ( -0.726 0.000 2.584) 2.684 17.605 ( -6.216 0.000 -11.361) 12.950 17.729 ( -3.888 0.000 -6.613) 7.672 18.192 ( 0.328 0.000 2.622) 2.643 18.392 ( -4.911 0.000 1.935) 5.278 ======================= Grid point 157 (70/108) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -1.696 0.000 12.304) 12.421 1.238 ( -0.106 0.000 1.113) 1.118 1.404 ( 7.949 0.000 -3.373) 8.635 1.484 ( 0.746 0.000 2.517) 2.625 1.684 ( 13.541 0.000 -3.162) 13.905 1.725 ( 2.071 0.000 -8.418) 8.669 2.001 ( -5.118 0.000 -6.690) 8.423 2.051 ( -8.369 0.000 -11.179) 13.964 2.150 ( -7.658 0.000 7.307) 10.585 2.206 ( 6.790 0.000 -10.132) 12.196 2.474 ( -3.442 0.000 -0.198) 3.448 2.570 ( -1.653 0.000 -4.950) 5.219 2.856 ( 7.357 0.000 5.935) 9.453 2.878 ( -1.068 0.000 3.793) 3.941 2.897 ( -5.170 0.000 7.989) 9.516 3.069 ( -3.054 0.000 3.975) 5.013 3.279 ( 4.666 0.000 -3.088) 5.595 3.288 ( -5.819 0.000 2.970) 6.533 3.520 ( -1.315 0.000 3.596) 3.829 3.689 ( 5.291 0.000 -7.084) 8.842 3.818 ( 1.895 0.000 -1.014) 2.149 3.939 ( -8.014 0.000 1.616) 8.175 4.512 ( 4.043 0.000 3.533) 5.369 4.626 ( -0.978 0.000 1.156) 1.515 4.733 ( -2.133 0.000 -1.514) 2.616 4.807 ( -3.921 0.000 -6.870) 7.910 5.055 ( 9.016 0.000 -3.702) 9.747 5.097 ( -3.493 0.000 0.931) 3.615 5.107 ( 4.551 0.000 4.397) 6.328 5.145 ( 2.238 0.000 3.732) 4.352 5.152 ( 2.323 0.000 2.105) 3.135 5.205 ( 1.634 0.000 -0.253) 1.653 5.344 ( 0.732 0.000 -0.541) 0.910 5.400 ( 2.478 0.000 -3.730) 4.478 5.410 ( -8.767 0.000 5.052) 10.118 5.463 ( -11.250 0.000 -3.550) 11.796 6.174 ( 7.780 0.000 -3.932) 8.717 6.185 ( -6.238 0.000 3.165) 6.995 6.347 ( 5.325 0.000 -3.821) 6.554 6.359 ( 1.126 0.000 0.533) 1.246 6.450 ( -2.170 0.000 1.509) 2.643 6.452 ( -1.014 0.000 0.818) 1.303 6.527 ( 6.525 0.000 2.405) 6.954 6.656 ( -0.293 0.000 -0.661) 0.723 6.988 ( -1.897 0.000 0.807) 2.061 7.049 ( -0.470 0.000 -3.760) 3.789 7.268 ( 2.785 0.000 0.423) 2.817 7.295 ( 0.405 0.000 1.211) 1.277 7.399 ( 2.452 0.000 -2.200) 3.294 7.543 ( 3.463 0.000 -6.024) 6.949 7.624 ( 4.172 0.000 -4.884) 6.423 7.631 ( -2.173 0.000 2.876) 3.604 7.690 ( -0.089 0.000 2.183) 2.185 7.855 ( -5.277 0.000 -1.298) 5.434 8.045 ( 1.708 0.000 0.542) 1.792 8.090 ( -2.151 0.000 1.572) 2.664 8.462 ( 2.590 0.000 -1.704) 3.101 8.520 ( -6.406 0.000 3.972) 7.538 8.784 ( 8.264 0.000 10.919) 13.694 9.104 ( 11.069 0.000 -2.440) 11.335 9.398 ( -0.224 0.000 -3.220) 3.228 9.602 ( -5.460 0.000 -2.156) 5.870 9.852 ( -0.530 0.000 10.035) 10.049 10.250 ( 1.673 0.000 4.507) 4.807 10.363 ( 0.009 0.000 -8.821) 8.821 10.433 ( 2.134 0.000 -1.896) 2.854 10.791 ( -5.150 0.000 3.034) 5.977 10.909 ( -2.868 0.000 -2.176) 3.600 11.321 ( 0.923 0.000 8.015) 8.068 11.499 ( 1.145 0.000 5.336) 5.457 11.762 ( 0.241 0.000 -2.381) 2.393 11.915 ( -0.253 0.000 -2.012) 2.027 12.164 ( 0.429 0.000 0.910) 1.006 12.186 ( -2.056 0.000 0.920) 2.253 12.384 ( 3.420 0.000 2.400) 4.178 12.502 ( 0.179 0.000 -1.514) 1.524 13.033 ( 0.670 0.000 -4.183) 4.236 13.099 ( -8.123 0.000 -2.802) 8.593 13.491 ( -5.927 0.000 5.275) 7.934 13.529 ( 3.198 0.000 -4.032) 5.146 14.361 ( 3.705 0.000 -5.030) 6.247 14.439 ( -4.939 0.000 -3.109) 5.836 14.547 ( 3.265 0.000 -1.638) 3.653 14.708 ( -5.318 0.000 -5.868) 7.919 14.952 ( 2.086 0.000 -0.738) 2.213 14.960 ( -2.042 0.000 0.456) 2.093 15.234 ( 8.625 0.000 4.349) 9.659 15.410 ( -12.321 0.000 7.470) 14.409 16.450 ( -5.195 0.000 5.679) 7.696 16.633 ( -1.995 0.000 -7.183) 7.455 16.704 ( -1.056 0.000 8.610) 8.675 16.896 ( -1.659 0.000 -1.757) 2.416 17.501 ( 1.276 0.000 -6.695) 6.816 17.610 ( -4.715 0.000 -6.417) 7.963 18.246 ( 2.783 0.000 3.200) 4.241 18.334 ( -2.945 0.000 0.958) 3.096 ======================= Grid point 158 (71/108) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -9.578 0.000 19.933) 22.115 1.234 ( -16.482 0.000 2.088) 16.613 1.397 ( 2.198 0.000 11.261) 11.473 1.572 ( 7.827 0.000 -14.998) 16.918 1.684 ( -9.132 0.000 -8.808) 12.688 1.724 ( -2.985 0.000 -9.053) 9.532 1.918 ( 2.532 0.000 -1.174) 2.791 1.974 ( -2.361 0.000 0.264) 2.375 2.033 ( 2.576 0.000 2.570) 3.639 2.329 ( 9.473 0.000 -6.396) 11.430 2.473 ( -0.056 0.000 3.039) 3.040 2.482 ( -1.984 0.000 -2.878) 3.495 2.827 ( -8.021 0.000 8.437) 11.641 2.907 ( 1.889 0.000 6.703) 6.964 3.026 ( -0.024 0.000 -5.087) 5.087 3.055 ( 8.943 0.000 3.095) 9.464 3.177 ( -8.080 0.000 3.344) 8.744 3.362 ( 5.532 0.000 -2.676) 6.146 3.557 ( 1.575 0.000 4.063) 4.357 3.684 ( 1.910 0.000 -8.760) 8.966 3.828 ( -3.405 0.000 -1.318) 3.651 3.953 ( 10.595 0.000 -0.156) 10.596 4.612 ( -1.790 0.000 -2.138) 2.789 4.635 ( 6.723 0.000 4.152) 7.902 4.691 ( -0.645 0.000 -1.000) 1.190 4.740 ( 0.950 0.000 -3.993) 4.104 4.983 ( -9.007 0.000 1.928) 9.211 5.127 ( -0.913 0.000 -1.211) 1.516 5.133 ( -3.621 0.000 2.993) 4.698 5.180 ( -2.695 0.000 -3.629) 4.521 5.192 ( 0.501 0.000 2.801) 2.845 5.206 ( -1.427 0.000 -0.449) 1.496 5.293 ( -2.157 0.000 3.103) 3.779 5.338 ( -0.792 0.000 2.250) 2.385 5.431 ( 7.598 0.000 -0.250) 7.602 5.500 ( 10.710 0.000 -3.855) 11.383 6.075 ( -8.040 0.000 3.589) 8.804 6.280 ( 6.893 0.000 -3.961) 7.950 6.288 ( -7.409 0.000 1.322) 7.526 6.368 ( -3.909 0.000 -0.467) 3.937 6.457 ( 1.067 0.000 0.203) 1.086 6.458 ( 4.066 0.000 0.298) 4.076 6.626 ( -1.480 0.000 -4.925) 5.143 6.653 ( 5.424 0.000 -0.730) 5.473 6.973 ( -0.654 0.000 3.197) 3.263 7.033 ( 1.668 0.000 -3.737) 4.092 7.269 ( -4.087 0.000 0.762) 4.158 7.292 ( -0.345 0.000 0.978) 1.037 7.425 ( 0.218 0.000 2.034) 2.045 7.459 ( -3.920 0.000 -6.608) 7.683 7.570 ( -6.677 0.000 1.251) 6.793 7.671 ( 1.409 0.000 -0.837) 1.639 7.746 ( -2.119 0.000 -2.743) 3.466 7.822 ( 8.919 0.000 1.033) 8.979 8.043 ( -3.790 0.000 1.042) 3.930 8.086 ( 1.325 0.000 2.154) 2.528 8.433 ( -4.223 0.000 2.174) 4.749 8.533 ( 4.840 0.000 -0.009) 4.840 8.930 ( -0.480 0.000 9.910) 9.922 9.117 ( -1.888 0.000 -15.866) 15.978 9.439 ( -7.057 0.000 -4.337) 8.283 9.491 ( 7.743 0.000 6.043) 9.822 9.980 ( 3.594 0.000 14.359) 14.802 10.197 ( -0.965 0.000 -18.507) 18.532 10.366 ( 0.524 0.000 3.440) 3.479 10.438 ( 0.755 0.000 -5.084) 5.140 10.812 ( 3.050 0.000 9.343) 9.829 10.878 ( 1.422 0.000 -2.147) 2.575 11.394 ( 0.934 0.000 9.406) 9.452 11.486 ( -1.871 0.000 -5.103) 5.435 11.800 ( 2.127 0.000 5.591) 5.982 11.870 ( -1.441 0.000 -7.013) 7.159 12.175 ( -0.241 0.000 1.806) 1.822 12.178 ( 0.133 0.000 1.586) 1.592 12.438 ( 0.582 0.000 2.931) 2.988 12.467 ( -1.914 0.000 -3.852) 4.301 12.965 ( -4.900 0.000 0.311) 4.910 13.074 ( 5.453 0.000 -0.940) 5.533 13.429 ( -4.500 0.000 5.018) 6.740 13.574 ( 4.220 0.000 -2.201) 4.760 14.314 ( -5.996 0.000 -1.668) 6.223 14.418 ( 4.591 0.000 -1.675) 4.887 14.570 ( -5.933 0.000 -2.574) 6.467 14.594 ( 0.802 0.000 3.466) 3.558 14.926 ( -1.626 0.000 1.381) 2.133 14.985 ( 1.656 0.000 -1.508) 2.240 15.281 ( -3.986 0.000 0.714) 4.049 15.527 ( 19.349 0.000 -1.981) 19.450 16.449 ( -0.284 0.000 9.118) 9.122 16.567 ( 0.177 0.000 -5.336) 5.339 16.759 ( 0.634 0.000 9.927) 9.947 16.848 ( -1.260 0.000 -4.025) 4.217 17.482 ( -5.249 0.000 -4.745) 7.076 17.533 ( 3.831 0.000 -0.236) 3.838 18.290 ( -2.289 0.000 -0.608) 2.368 18.319 ( 3.218 0.000 2.239) 3.920 ======================= Grid point 159 (72/108) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -17.366 0.000 6.336) 18.486 1.022 ( -15.312 0.000 14.999) 21.434 1.388 ( -9.088 0.000 2.690) 9.478 1.492 ( -6.323 0.000 -15.845) 17.060 1.533 ( -3.601 0.000 17.622) 17.987 1.644 ( 6.721 0.000 -11.076) 12.956 1.920 ( -3.726 0.000 6.207) 7.239 2.038 ( 6.532 0.000 2.371) 6.949 2.189 ( 10.250 0.000 -3.250) 10.753 2.287 ( -3.351 0.000 -8.304) 8.954 2.456 ( -4.540 0.000 6.008) 7.530 2.585 ( 7.135 0.000 1.162) 7.229 2.724 ( -8.084 0.000 3.501) 8.809 2.975 ( 0.586 0.000 1.470) 1.582 3.047 ( 6.180 0.000 -5.543) 8.301 3.076 ( -4.387 0.000 8.745) 9.783 3.233 ( 9.084 0.000 -0.776) 9.117 3.415 ( 2.414 0.000 -2.529) 3.496 3.602 ( 2.097 0.000 -1.145) 2.389 3.679 ( 3.606 0.000 -7.446) 8.273 3.823 ( 3.359 0.000 -0.422) 3.385 4.130 ( 8.952 0.000 -1.692) 9.111 4.535 ( -3.276 0.000 -7.030) 7.756 4.670 ( -9.385 0.000 2.006) 9.597 4.688 ( 1.777 0.000 -2.516) 3.081 4.792 ( 3.690 0.000 4.427) 5.763 4.923 ( 2.745 0.000 1.063) 2.944 4.982 ( -7.360 0.000 2.166) 7.672 5.100 ( -1.901 0.000 2.959) 3.517 5.126 ( -4.288 0.000 -2.458) 4.943 5.161 ( -0.017 0.000 -1.268) 1.268 5.197 ( 0.024 0.000 -0.681) 0.682 5.367 ( 4.732 0.000 1.654) 5.012 5.375 ( 3.121 0.000 1.597) 3.506 5.585 ( 7.934 0.000 2.462) 8.307 5.676 ( 10.983 0.000 -4.374) 11.822 5.950 ( -8.118 0.000 4.038) 9.066 6.180 ( -5.704 0.000 3.638) 6.765 6.243 ( -8.156 0.000 -1.235) 8.249 6.378 ( 5.999 0.000 -3.527) 6.959 6.455 ( -1.305 0.000 -3.754) 3.974 6.532 ( 3.216 0.000 -0.422) 3.243 6.547 ( -2.112 0.000 -4.464) 4.938 6.663 ( -4.038 0.000 -4.134) 5.779 7.009 ( 1.373 0.000 4.818) 5.010 7.060 ( 2.263 0.000 -3.138) 3.869 7.160 ( -6.535 0.000 1.246) 6.653 7.271 ( -2.937 0.000 -0.110) 2.939 7.339 ( -5.123 0.000 -3.098) 5.987 7.399 ( -3.066 0.000 1.643) 3.478 7.533 ( 1.224 0.000 5.387) 5.524 7.693 ( 1.565 0.000 -0.717) 1.722 7.743 ( 2.122 0.000 -2.023) 2.931 7.873 ( -3.762 0.000 -0.790) 3.844 8.016 ( 0.409 0.000 1.185) 1.253 8.112 ( 0.105 0.000 1.645) 1.649 8.435 ( 2.986 0.000 2.361) 3.807 8.596 ( 0.558 0.000 1.021) 1.164 8.874 ( -9.603 0.000 2.664) 9.966 8.884 ( -10.081 0.000 -22.385) 24.550 9.355 ( -1.233 0.000 1.023) 1.602 9.648 ( 4.486 0.000 3.403) 5.631 10.065 ( 0.300 0.000 -15.739) 15.742 10.130 ( 2.387 0.000 13.736) 13.941 10.375 ( -1.123 0.000 1.683) 2.023 10.405 ( 0.561 0.000 -7.484) 7.505 10.922 ( 4.277 0.000 -1.931) 4.693 10.953 ( 5.638 0.000 2.317) 6.096 11.402 ( -2.686 0.000 -6.641) 7.163 11.476 ( 1.505 0.000 8.879) 9.005 11.784 ( -2.014 0.000 -8.540) 8.774 11.874 ( 1.635 0.000 5.269) 5.517 12.182 ( 0.223 0.000 -1.274) 1.293 12.190 ( -0.312 0.000 2.615) 2.634 12.399 ( -1.732 0.000 -5.900) 6.149 12.449 ( -1.559 0.000 3.167) 3.530 12.975 ( 4.281 0.000 7.427) 8.573 13.190 ( 5.758 0.000 2.838) 6.420 13.398 ( -2.469 0.000 5.266) 5.816 13.651 ( 4.974 0.000 -0.671) 5.019 14.231 ( -3.174 0.000 2.362) 3.956 14.467 ( -3.773 0.000 -0.345) 3.789 14.492 ( 3.176 0.000 -0.198) 3.182 14.647 ( 2.093 0.000 8.953) 9.194 14.919 ( -0.199 0.000 0.955) 0.975 14.982 ( -0.054 0.000 -2.338) 2.339 15.302 ( 6.886 0.000 -1.733) 7.101 15.814 ( 15.645 0.000 -10.337) 18.751 16.532 ( 1.376 0.000 9.944) 10.039 16.603 ( 5.974 0.000 -0.436) 5.989 16.809 ( -0.023 0.000 -3.633) 3.633 16.875 ( 5.694 0.000 9.414) 11.002 17.394 ( -1.718 0.000 3.275) 3.698 17.612 ( 3.531 0.000 3.347) 4.865 18.245 ( -1.520 0.000 -1.779) 2.340 18.390 ( 3.366 0.000 1.727) 3.783 ======================= Grid point 160 (73/108) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -12.384 0.000 12.228) 17.404 0.806 ( -15.839 0.000 15.850) 22.407 1.203 ( -5.988 0.000 -12.881) 14.204 1.282 ( -4.090 0.000 -16.522) 17.021 1.730 ( 2.649 0.000 35.351) 35.450 1.743 ( 10.048 0.000 -7.419) 12.491 1.866 ( -7.506 0.000 8.269) 11.168 2.126 ( 2.650 0.000 -2.064) 3.359 2.211 ( -0.333 0.000 -2.036) 2.063 2.323 ( 4.637 0.000 -1.136) 4.774 2.429 ( -1.336 0.000 1.051) 1.700 2.595 ( -6.157 0.000 2.217) 6.545 2.642 ( -0.168 0.000 -1.179) 1.191 2.942 ( -2.049 0.000 -4.049) 4.538 3.118 ( 0.532 0.000 7.508) 7.527 3.135 ( 5.453 0.000 -2.726) 6.096 3.367 ( 6.345 0.000 -1.636) 6.552 3.423 ( -1.130 0.000 0.888) 1.437 3.630 ( 5.014 0.000 -8.020) 9.458 3.703 ( 2.826 0.000 -6.209) 6.822 3.921 ( 6.500 0.000 1.919) 6.777 4.223 ( 2.859 0.000 -4.207) 5.087 4.389 ( -6.087 0.000 -6.344) 8.792 4.593 ( -11.590 0.000 -1.935) 11.750 4.594 ( -0.334 0.000 6.313) 6.322 4.817 ( 3.004 0.000 2.717) 4.051 4.971 ( -3.203 0.000 -3.129) 4.478 4.996 ( 3.559 0.000 -0.954) 3.685 5.087 ( -1.489 0.000 1.423) 2.060 5.104 ( 4.361 0.000 3.950) 5.884 5.143 ( -1.749 0.000 1.074) 2.052 5.200 ( 0.761 0.000 0.345) 0.835 5.460 ( 5.547 0.000 -1.489) 5.743 5.463 ( 4.982 0.000 0.709) 5.032 5.698 ( 0.934 0.000 3.866) 3.977 5.818 ( 7.730 0.000 -5.148) 9.288 5.876 ( -2.403 0.000 4.529) 5.127 6.068 ( -9.907 0.000 -1.760) 10.062 6.151 ( -0.065 0.000 4.855) 4.855 6.361 ( -2.317 0.000 -7.259) 7.620 6.384 ( -8.984 0.000 -6.595) 11.145 6.504 ( -2.866 0.000 -1.141) 3.085 6.529 ( 0.586 0.000 -0.751) 0.953 6.554 ( -0.193 0.000 -1.783) 1.793 6.987 ( -6.177 0.000 2.934) 6.838 7.067 ( 1.286 0.000 4.245) 4.436 7.153 ( -6.918 0.000 -3.044) 7.559 7.173 ( 4.235 0.000 -2.601) 4.970 7.291 ( -0.848 0.000 1.774) 1.967 7.392 ( 1.288 0.000 -0.838) 1.536 7.601 ( -0.776 0.000 6.405) 6.452 7.717 ( 1.599 0.000 -0.855) 1.813 7.766 ( 2.019 0.000 -2.283) 3.048 7.768 ( -5.665 0.000 -1.476) 5.854 8.028 ( 0.075 0.000 1.606) 1.607 8.113 ( -0.689 0.000 0.909) 1.141 8.391 ( -17.408 0.000 -9.721) 19.938 8.521 ( 2.364 0.000 1.592) 2.850 8.674 ( -0.923 0.000 -3.526) 3.645 8.685 ( -8.695 0.000 -3.176) 9.257 9.371 ( -0.063 0.000 5.182) 5.182 9.664 ( -0.643 0.000 -6.009) 6.044 10.046 ( 2.502 0.000 -0.579) 2.568 10.223 ( -0.526 0.000 8.448) 8.464 10.364 ( -0.254 0.000 0.153) 0.297 10.374 ( 1.290 0.000 -6.405) 6.533 10.991 ( 3.920 0.000 -0.052) 3.921 11.006 ( 0.598 0.000 0.091) 0.605 11.316 ( -2.618 0.000 -4.850) 5.512 11.511 ( -0.977 0.000 -5.248) 5.339 11.732 ( -0.052 0.000 2.659) 2.659 11.916 ( 0.306 0.000 1.722) 1.748 12.170 ( 0.381 0.000 -2.640) 2.667 12.196 ( -1.292 0.000 3.327) 3.569 12.344 ( 0.533 0.000 -6.428) 6.450 12.413 ( -3.818 0.000 1.090) 3.970 13.165 ( 9.791 0.000 3.348) 10.347 13.274 ( 0.221 0.000 4.115) 4.121 13.425 ( 1.539 0.000 6.386) 6.569 13.702 ( 1.113 0.000 -3.234) 3.420 14.219 ( -1.343 0.000 4.411) 4.611 14.402 ( -1.542 0.000 -3.732) 4.038 14.551 ( 1.619 0.000 3.940) 4.260 14.775 ( 5.739 0.000 -0.519) 5.763 14.928 ( 0.440 0.000 0.849) 0.956 14.974 ( 1.036 0.000 -2.379) 2.594 15.515 ( 13.349 0.000 7.561) 15.341 15.944 ( 7.723 0.000 -12.393) 14.603 16.593 ( -1.100 0.000 8.002) 8.077 16.710 ( 4.450 0.000 -2.689) 5.200 16.824 ( 3.595 0.000 0.419) 3.620 16.979 ( 0.464 0.000 -3.145) 3.179 17.629 ( 20.793 0.000 13.644) 24.870 17.696 ( 2.684 0.000 5.324) 5.962 18.249 ( 5.469 0.000 -0.056) 5.469 18.454 ( 1.497 0.000 2.598) 2.998 ======================= Grid point 161 (74/108) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.878 10.334 15.288) 18.474 0.957 ( -2.287 21.155 12.434) 24.645 1.194 ( -0.807 9.174 -14.889) 17.507 1.257 ( 3.761 13.318 -13.318) 19.206 1.783 ( -2.718 -0.315 3.150) 4.172 1.872 ( 7.055 -0.300 -4.630) 8.444 1.961 ( 4.472 -4.663 19.019) 20.086 2.093 ( -7.333 -4.936 -1.979) 9.058 2.234 ( 3.603 4.196 7.087) 8.990 2.326 ( -0.189 2.315 5.962) 6.399 2.444 ( 1.573 1.768 -6.857) 7.254 2.601 ( -1.072 -0.433 -4.416) 4.565 2.664 ( 1.298 4.034 9.608) 10.501 2.873 ( -3.471 1.762 -8.547) 9.392 3.109 ( -2.471 -2.524 4.796) 5.956 3.184 ( 1.386 -2.318 -2.651) 3.784 3.334 ( -2.006 -4.733 1.967) 5.504 3.380 ( -1.601 -3.996 -0.389) 4.322 3.574 ( 4.658 -5.456 -3.532) 7.996 3.654 ( -2.720 -4.930 -7.828) 9.643 4.096 ( 6.310 3.372 2.614) 7.617 4.172 ( -4.202 2.502 -3.679) 6.119 4.351 ( -6.180 -1.802 -1.465) 6.602 4.369 ( 4.428 -1.019 -3.367) 5.655 4.731 ( 2.904 1.714 6.814) 7.603 4.855 ( 0.361 -1.548 -3.330) 3.690 4.914 ( 0.573 0.114 0.365) 0.689 4.953 ( -3.049 0.732 -2.262) 3.867 5.083 ( -0.638 -2.734 3.955) 4.850 5.133 ( 2.290 1.079 -1.162) 2.785 5.171 ( -1.339 -2.800 1.466) 3.432 5.201 ( 0.950 -1.906 0.075) 2.131 5.412 ( -4.266 -6.925 2.795) 8.601 5.480 ( 3.192 -4.237 -2.052) 5.688 5.726 ( -0.728 -0.024 3.001) 3.088 5.800 ( -0.153 -1.355 -3.239) 3.514 5.872 ( 0.389 -1.869 3.547) 4.028 5.944 ( 0.079 -2.422 -2.654) 3.594 6.190 ( -1.437 0.026 3.214) 3.521 6.215 ( -0.636 1.120 2.157) 2.512 6.344 ( 4.765 -1.911 -1.586) 5.374 6.398 ( -4.790 -3.212 -4.155) 7.108 6.547 ( 1.043 2.564 -0.916) 2.916 6.562 ( -1.585 2.236 -1.887) 3.328 7.013 ( -0.459 4.460 3.424) 5.641 7.077 ( 0.286 0.854 -0.434) 1.000 7.123 ( 3.310 3.081 2.264) 5.057 7.190 ( -3.172 -1.873 -2.307) 4.346 7.316 ( -0.336 1.250 0.645) 1.446 7.354 ( 2.387 0.160 -2.392) 3.383 7.580 ( 1.242 0.626 5.255) 5.436 7.711 ( -2.726 0.582 -5.330) 6.015 7.764 ( -1.239 1.876 1.851) 2.912 7.811 ( 0.947 3.111 -3.143) 4.523 8.020 ( 2.323 -3.909 1.121) 4.683 8.059 ( -2.954 -3.068 -1.829) 4.635 8.288 ( 6.997 2.181 9.772) 12.215 8.441 ( -6.188 2.043 -3.623) 7.455 8.640 ( -1.026 -0.405 -0.329) 1.151 8.668 ( -0.363 1.105 -3.548) 3.734 9.390 ( 0.735 -1.965 7.630) 7.913 9.579 ( -1.116 -2.362 -8.510) 8.901 10.069 ( -0.275 -2.111 8.882) 9.134 10.202 ( -1.992 -1.041 -0.225) 2.259 10.349 ( 0.832 -0.952 -0.142) 1.272 10.406 ( 0.947 1.419 -4.944) 5.230 10.927 ( 1.918 -6.443 5.629) 8.768 11.026 ( 0.152 -2.586 -1.777) 3.142 11.270 ( -1.678 1.220 1.794) 2.743 11.435 ( -2.675 2.532 -9.873) 10.538 11.799 ( 1.075 0.852 7.546) 7.670 11.926 ( -1.674 1.527 -3.323) 4.022 12.185 ( 1.576 1.125 -0.863) 2.120 12.217 ( -0.954 2.554 -2.849) 3.943 12.367 ( -0.386 2.741 0.750) 2.868 12.395 ( -0.476 3.903 -1.521) 4.216 13.193 ( 4.102 -4.923 3.239) 7.180 13.234 ( -3.409 -4.427 -0.422) 5.603 13.631 ( 0.983 8.672 4.203) 9.687 13.719 ( -1.418 5.292 -2.219) 5.911 14.175 ( 0.549 -5.086 4.501) 6.814 14.291 ( 0.584 -6.601 -5.140) 8.386 14.626 ( 1.574 1.000 7.232) 7.469 14.792 ( 0.957 -1.632 -6.099) 6.386 14.992 ( 0.519 4.973 -1.508) 5.222 15.002 ( -0.438 4.099 -1.993) 4.579 15.604 ( 2.789 -11.403 8.987) 14.784 15.820 ( -1.587 -11.336 -10.977) 15.859 16.593 ( -2.499 -1.985 6.974) 7.670 16.695 ( 0.520 -4.381 -0.574) 4.449 16.801 ( -3.044 -8.248 2.854) 9.244 16.842 ( 1.105 -3.056 -1.460) 3.562 17.639 ( 5.740 -10.522 7.794) 14.297 17.777 ( -1.993 -7.645 -4.288) 8.989 18.351 ( 4.282 -3.894 3.001) 6.520 18.389 ( -3.241 -2.584 -0.526) 4.178 ======================= Grid point 162 (75/108) ======================= q-point: ( 0.14 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -0.597 9.463 13.211) 16.262 1.108 ( 8.638 14.765 7.169) 18.547 1.144 ( 5.951 8.708 -10.407) 14.817 1.338 ( 12.730 12.725 -10.138) 20.658 1.727 ( -5.395 1.128 -4.949) 7.407 1.914 ( -4.004 -2.801 -0.711) 4.938 1.983 ( 2.749 -3.191 -1.595) 4.504 2.118 ( 2.259 -3.445 7.149) 8.251 2.276 ( 0.432 3.327 1.916) 3.863 2.403 ( 1.768 3.001 -3.131) 4.683 2.495 ( 2.406 0.690 9.788) 10.103 2.536 ( 1.636 1.485 -9.491) 9.745 2.706 ( -4.049 0.238 -0.482) 4.084 2.807 ( 2.865 3.070 2.896) 5.101 3.055 ( -6.331 -1.786 4.195) 7.802 3.176 ( -1.378 -2.268 -1.348) 2.976 3.269 ( -5.778 -1.946 4.098) 7.346 3.343 ( -2.397 -5.598 0.463) 6.107 3.563 ( -0.250 -4.223 -4.347) 6.066 3.654 ( 2.232 -2.682 -1.562) 3.823 4.045 ( -6.119 3.405 -6.323) 9.435 4.132 ( -4.430 1.730 4.380) 6.465 4.307 ( 5.706 -1.125 -0.767) 5.866 4.497 ( 7.000 -4.162 -0.857) 8.189 4.799 ( -2.038 3.526 -4.040) 5.736 4.834 ( 1.598 -2.867 1.067) 3.451 4.875 ( 1.590 -0.586 1.082) 2.010 4.985 ( 0.828 0.818 1.927) 2.251 5.072 ( -0.147 0.298 0.226) 0.402 5.109 ( -5.542 -6.392 -0.789) 8.496 5.151 ( -0.424 -1.283 1.407) 1.951 5.182 ( -2.993 -1.687 -0.283) 3.447 5.352 ( -3.244 -3.417 3.400) 5.810 5.476 ( -1.703 -2.028 -1.524) 3.055 5.697 ( -5.029 -0.848 4.089) 6.537 5.782 ( -3.424 -2.766 -5.075) 6.718 5.922 ( 6.307 -1.467 -0.334) 6.484 5.960 ( 3.143 -4.388 0.086) 5.398 6.199 ( 2.749 -0.925 2.910) 4.108 6.298 ( 2.946 -0.884 -2.751) 4.126 6.332 ( 2.591 -0.280 0.520) 2.657 6.430 ( 2.836 -1.952 1.499) 3.755 6.518 ( -1.165 3.468 -0.271) 3.669 6.593 ( 3.559 3.256 0.100) 4.824 7.025 ( 1.832 0.223 0.524) 1.918 7.070 ( -2.643 -1.635 0.992) 3.263 7.129 ( 1.034 1.646 -2.350) 3.050 7.251 ( 3.206 6.535 1.604) 7.453 7.345 ( 4.622 -0.767 -0.924) 4.775 7.382 ( 2.961 1.133 -3.430) 4.671 7.633 ( 1.081 -0.143 1.054) 1.517 7.659 ( 0.083 -1.062 0.697) 1.273 7.763 ( -0.099 2.240 1.599) 2.754 7.834 ( 2.899 2.283 -1.034) 3.832 8.000 ( -1.355 -5.090 -0.956) 5.353 8.099 ( 3.690 -3.333 1.586) 5.219 8.276 ( -4.633 1.706 -2.120) 5.373 8.537 ( 7.775 -0.027 1.222) 7.870 8.613 ( 0.456 1.538 1.644) 2.297 8.667 ( 2.091 0.655 1.307) 2.551 9.449 ( -0.312 -3.421 4.696) 5.818 9.510 ( -0.037 -1.605 -4.495) 4.773 10.079 ( -5.058 -2.315 4.822) 7.361 10.129 ( -4.141 -0.408 0.770) 4.231 10.370 ( 1.448 0.066 -0.158) 1.458 10.420 ( 3.236 0.417 -2.929) 4.385 10.964 ( -3.089 -4.793 -3.372) 6.625 10.975 ( -1.283 -4.980 1.173) 5.275 11.304 ( 0.111 1.924 6.985) 7.246 11.337 ( -0.916 3.744 -3.316) 5.084 11.868 ( 0.242 0.800 3.392) 3.493 11.878 ( -0.363 1.080 -0.356) 1.194 12.175 ( -0.365 0.997 -3.109) 3.285 12.236 ( 3.127 1.918 0.907) 3.778 12.338 ( -1.937 4.510 -0.603) 4.945 12.428 ( 3.091 2.571 1.128) 4.176 13.132 ( -4.937 -4.030 -1.797) 6.622 13.297 ( 3.373 -3.911 2.148) 5.594 13.629 ( -3.543 5.624 -0.389) 6.659 13.651 ( -4.337 7.774 1.357) 9.005 14.242 ( 4.038 -5.750 3.477) 7.839 14.280 ( 1.732 -6.369 -5.379) 8.514 14.692 ( 1.079 1.092 3.861) 4.155 14.740 ( -0.865 0.050 -7.616) 7.666 14.965 ( -1.850 2.897 -0.327) 3.453 14.995 ( 0.140 5.036 -0.379) 5.052 15.584 ( -11.681 -11.244 -1.375) 16.271 15.655 ( -7.740 -8.792 -0.965) 11.753 16.572 ( -4.656 -2.963 6.025) 8.171 16.686 ( -2.835 -4.735 3.487) 6.528 16.741 ( -2.346 -2.524 -0.946) 3.573 16.868 ( 1.464 -2.638 0.361) 3.039 17.657 ( -5.369 -8.467 -8.082) 12.878 17.751 ( 1.736 -7.799 3.667) 8.792 18.275 ( -5.997 2.057 -2.098) 6.678 18.401 ( -1.282 -4.160 2.186) 4.871 ======================= Grid point 163 (76/108) ======================= q-point: ( 0.29 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 6.026 5.302 4.645) 9.273 1.263 ( 11.738 1.914 -3.744) 12.468 1.317 ( 7.935 9.356 4.615) 13.107 1.445 ( -2.998 3.728 -3.586) 5.978 1.607 ( 3.044 7.185 -3.959) 8.750 1.822 ( -4.392 -0.092 -2.090) 4.865 2.041 ( 3.018 -1.661 -3.032) 4.589 2.167 ( 1.054 -1.275 3.174) 3.580 2.243 ( -0.924 3.513 -9.678) 10.337 2.320 ( -5.688 2.807 -11.640) 13.255 2.511 ( 2.870 -0.923 0.082) 3.016 2.613 ( -1.283 0.608 1.697) 2.212 2.698 ( 5.532 2.800 4.599) 7.719 2.894 ( 0.613 -0.302 5.550) 5.592 2.969 ( -5.218 2.213 4.719) 7.376 3.113 ( -4.566 -0.022 3.304) 5.636 3.221 ( -1.398 -2.401 0.833) 2.901 3.318 ( -1.773 -3.372 2.632) 4.630 3.538 ( 0.406 -2.852 -3.902) 4.850 3.661 ( -0.914 2.126 2.489) 3.398 3.903 ( -4.739 2.166 -5.305) 7.436 4.077 ( -4.929 2.155 3.583) 6.464 4.433 ( 6.055 -0.133 0.411) 6.070 4.593 ( 5.879 -6.609 -0.451) 8.857 4.724 ( -3.228 1.080 -1.857) 3.878 4.834 ( 0.186 -6.460 -3.865) 7.530 4.937 ( -1.632 2.146 -1.326) 3.004 4.991 ( -2.621 -5.289 2.114) 6.269 5.006 ( 3.032 -3.572 1.249) 4.849 5.101 ( -0.861 -2.771 3.422) 4.487 5.142 ( -1.356 -1.701 0.491) 2.230 5.157 ( 2.350 0.901 -0.881) 2.667 5.332 ( -1.166 -1.874 1.333) 2.578 5.433 ( -2.154 -0.225 -0.088) 2.167 5.572 ( -9.752 -0.485 -0.056) 9.764 5.653 ( -6.377 -1.878 -2.297) 7.034 6.034 ( 6.808 -3.100 -1.627) 7.655 6.057 ( 5.595 -5.769 0.052) 8.037 6.279 ( 2.880 -3.790 1.026) 4.869 6.344 ( 2.777 -2.275 -1.461) 3.876 6.377 ( 2.337 -1.772 1.270) 3.196 6.435 ( -0.259 2.724 -0.748) 2.837 6.538 ( 0.163 4.573 2.425) 5.179 6.674 ( 4.512 3.884 1.048) 6.045 7.004 ( -2.150 -1.908 -1.668) 3.323 7.087 ( -2.605 -0.873 -0.426) 2.780 7.127 ( 5.162 -2.888 -0.974) 5.995 7.286 ( 0.863 2.104 0.699) 2.379 7.422 ( 3.750 5.212 -2.126) 6.763 7.441 ( 6.748 0.722 -3.259) 7.529 7.641 ( -2.036 -0.821 1.883) 2.892 7.673 ( 1.193 -2.175 -0.048) 2.481 7.738 ( -2.520 3.920 -3.570) 5.870 7.900 ( 2.826 3.228 1.512) 4.548 7.991 ( 0.251 -4.298 -0.914) 4.402 8.119 ( -0.687 0.361 1.417) 1.616 8.312 ( 4.135 -7.998 5.220) 10.407 8.553 ( -0.302 0.649 2.758) 2.850 8.601 ( 0.326 -4.264 -3.673) 5.638 8.883 ( 12.477 3.433 5.677) 14.131 9.384 ( -3.202 -7.056 -5.494) 9.499 9.578 ( 3.468 0.182 7.018) 7.830 9.942 ( -8.400 0.130 -3.292) 9.023 10.103 ( -2.971 -6.433 6.552) 9.651 10.378 ( 0.221 0.049 -2.279) 2.291 10.484 ( 4.623 4.006 -0.618) 6.148 10.843 ( -5.127 -6.393 -6.292) 10.332 10.941 ( -3.364 -2.310 -0.380) 4.099 11.296 ( -0.469 2.136 3.211) 3.885 11.416 ( 2.039 1.286 10.134) 10.417 11.833 ( 0.132 2.947 -3.948) 4.928 11.928 ( 0.938 1.560 4.173) 4.553 12.158 ( 0.127 0.452 -1.781) 1.841 12.290 ( -2.318 5.064 1.855) 5.870 12.320 ( 3.899 2.067 0.051) 4.413 12.495 ( 3.165 2.275 0.915) 4.004 13.041 ( -2.808 -2.657 -3.169) 4.998 13.324 ( -2.929 1.766 0.602) 3.472 13.528 ( -2.869 4.259 -4.343) 6.725 13.591 ( -5.220 2.793 3.255) 6.756 14.275 ( 1.850 -6.099 -5.519) 8.431 14.351 ( 5.190 -5.872 1.937) 8.073 14.622 ( -2.886 0.892 -8.858) 9.358 14.764 ( 2.105 -0.827 0.358) 2.290 14.938 ( -1.590 0.857 1.735) 2.504 14.998 ( 0.193 5.299 -0.914) 5.381 15.283 ( -13.209 -4.742 -3.642) 14.499 15.527 ( -10.635 -6.012 7.464) 14.316 16.501 ( -6.657 -3.535 4.921) 9.001 16.662 ( -2.014 -2.076 3.390) 4.456 16.705 ( -1.386 -0.479 -1.447) 2.060 16.890 ( 0.921 -2.073 -1.079) 2.512 17.518 ( -2.907 -4.883 -7.867) 9.705 17.750 ( -2.358 -1.242 -2.449) 3.620 18.201 ( -1.132 1.615 0.773) 2.119 18.370 ( -2.760 -1.227 1.332) 3.301 ======================= Grid point 164 (77/108) ======================= q-point: ( 0.43 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.224 -1.658 7.006) 7.203 1.250 ( -2.267 2.394 2.646) 4.227 1.419 ( -7.302 -3.984 1.482) 8.449 1.489 ( 9.416 3.730 -0.118) 10.129 1.642 ( 6.093 2.779 1.134) 6.792 1.806 ( 5.769 4.939 -14.314) 16.204 1.980 ( -4.793 -1.210 -7.911) 9.329 2.103 ( -8.017 4.704 -8.102) 12.331 2.224 ( -1.031 3.775 6.901) 7.933 2.266 ( 9.300 7.210 -6.470) 13.429 2.488 ( -2.568 0.324 -2.831) 3.836 2.585 ( -3.893 1.964 -1.316) 4.555 2.833 ( 0.043 0.363 6.129) 6.140 2.866 ( 1.858 -0.725 4.533) 4.952 2.962 ( -1.984 3.011 5.469) 6.550 3.087 ( -2.077 1.232 2.345) 3.366 3.248 ( 5.448 -2.082 -1.827) 6.111 3.276 ( -5.936 -1.323 3.572) 7.053 3.550 ( 2.831 1.833 -0.624) 3.429 3.662 ( -0.416 -1.500 -1.917) 2.470 3.840 ( 1.141 1.949 0.422) 2.297 3.995 ( -4.483 4.690 -1.267) 6.611 4.511 ( 2.936 -0.296 3.103) 4.282 4.626 ( -2.465 -0.553 1.208) 2.800 4.735 ( 1.516 -0.335 -1.657) 2.271 4.794 ( -0.499 -3.869 -6.653) 7.712 4.896 ( 3.441 -7.921 -0.133) 8.637 5.014 ( -0.418 -6.831 0.161) 6.846 5.039 ( 0.199 -5.862 3.352) 6.756 5.135 ( 0.251 -3.689 1.308) 3.922 5.139 ( 0.607 -1.760 3.202) 3.704 5.175 ( 0.753 -2.510 -1.983) 3.286 5.312 ( -1.788 -3.552 -0.488) 4.007 5.367 ( -5.131 -1.393 0.016) 5.317 5.478 ( 2.205 4.467 -1.721) 5.271 5.532 ( -6.059 4.278 0.297) 7.423 6.102 ( -0.829 -6.079 2.869) 6.773 6.150 ( 6.102 -2.618 -3.657) 7.581 6.290 ( 0.008 -3.775 -0.231) 3.782 6.336 ( -1.554 -7.518 -0.182) 7.679 6.438 ( -2.143 1.606 2.971) 3.999 6.459 ( 4.805 3.188 -3.301) 6.645 6.568 ( 4.018 2.932 1.805) 5.292 6.716 ( -0.479 4.293 -1.189) 4.480 6.963 ( -1.914 -1.892 0.528) 2.743 7.028 ( -0.913 -2.063 -3.514) 4.176 7.226 ( 4.815 -3.697 0.112) 6.071 7.286 ( -1.571 -1.348 0.265) 2.087 7.470 ( 2.307 6.079 -0.189) 6.505 7.539 ( 3.734 -0.970 -1.472) 4.129 7.627 ( 1.152 -1.586 -2.542) 3.210 7.649 ( -3.650 3.325 -3.134) 5.848 7.696 ( 2.429 1.444 1.432) 3.168 7.864 ( -5.516 0.993 -2.190) 6.017 8.038 ( 3.413 0.047 2.321) 4.128 8.119 ( -1.411 2.199 1.943) 3.257 8.378 ( 1.722 -6.928 2.850) 7.687 8.494 ( -4.585 -3.269 -0.517) 5.655 8.734 ( 8.331 -4.864 7.378) 12.145 9.060 ( 3.563 -5.510 -4.058) 7.715 9.347 ( 3.440 -2.519 1.871) 4.656 9.626 ( -4.469 1.822 -1.978) 5.216 9.831 ( -0.233 -1.890 5.656) 5.968 10.088 ( -2.570 -11.755 2.539) 12.298 10.363 ( 0.454 0.920 -1.969) 2.220 10.526 ( 1.079 4.841 -7.563) 9.044 10.753 ( -1.399 -3.452 2.291) 4.373 10.874 ( -2.805 -1.822 -1.576) 3.698 11.331 ( 0.123 0.621 7.486) 7.512 11.487 ( 0.164 -1.231 3.614) 3.822 11.847 ( 3.172 7.380 0.023) 8.033 11.956 ( 0.295 3.014 0.594) 3.086 12.154 ( 0.048 0.213 0.196) 0.293 12.239 ( -2.690 3.988 -1.291) 4.981 12.405 ( 3.132 2.250 4.005) 5.560 12.536 ( 1.107 3.177 -1.245) 3.587 13.011 ( 1.475 -0.087 -1.605) 2.182 13.189 ( -8.490 6.044 -4.323) 11.283 13.489 ( -4.514 0.225 3.637) 5.801 13.533 ( 1.441 0.289 -3.616) 3.903 14.289 ( 3.204 -5.541 -3.447) 7.270 14.379 ( -3.229 -5.109 -2.825) 6.671 14.573 ( 2.287 1.058 -1.646) 3.010 14.736 ( -4.147 0.984 -5.457) 6.924 14.934 ( -0.167 -1.093 1.687) 2.017 14.958 ( -1.429 -0.035 -0.995) 1.742 15.240 ( 6.794 0.607 4.380) 8.106 15.385 ( -9.077 -2.243 5.625) 10.911 16.430 ( -4.225 -1.779 5.474) 7.140 16.617 ( -1.782 -1.611 -6.903) 7.309 16.699 ( -1.492 -0.444 7.614) 7.771 16.881 ( 0.093 -1.230 -4.071) 4.254 17.477 ( 1.337 -0.707 -1.348) 2.026 17.658 ( -3.749 2.663 -6.601) 8.045 18.228 ( 1.995 -1.057 3.116) 3.848 18.329 ( -2.254 -0.430 -0.174) 2.301 ======================= Grid point 165 (78/108) ======================= q-point: (-0.43 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -11.993 -1.531 14.041) 18.528 1.206 ( -12.628 -1.719 14.739) 19.485 1.394 ( 5.228 0.610 0.692) 5.308 1.589 ( 6.342 2.428 -12.398) 14.136 1.722 ( -2.530 1.411 -7.777) 8.299 1.734 ( -3.746 2.809 -7.411) 8.766 1.950 ( 4.275 2.341 -0.687) 4.922 1.989 ( 5.756 2.949 -3.203) 7.217 2.133 ( -12.258 9.812 4.658) 16.378 2.377 ( 1.831 1.162 -5.372) 5.793 2.481 ( -2.989 1.519 -2.279) 4.055 2.520 ( 6.647 4.605 2.689) 8.522 2.800 ( -6.458 -1.106 7.636) 10.062 2.957 ( 2.202 2.965 3.442) 5.048 3.019 ( 3.515 -2.621 5.668) 7.166 3.057 ( 1.141 2.049 -4.377) 4.966 3.169 ( -6.791 -0.532 2.846) 7.383 3.353 ( 5.751 -1.095 -1.298) 5.996 3.576 ( -1.772 -0.483 -2.451) 3.062 3.650 ( 4.264 0.515 -1.409) 4.520 3.903 ( -0.980 4.389 -1.696) 4.806 3.971 ( 8.356 2.261 -1.741) 8.830 4.590 ( -0.757 -2.505 -0.115) 2.619 4.614 ( 4.919 -2.397 2.978) 6.230 4.708 ( -2.926 -0.130 -0.612) 2.992 4.738 ( -2.251 -0.562 -3.811) 4.462 4.869 ( -4.869 -5.066 0.797) 7.071 5.034 ( 2.648 -8.220 -1.547) 8.774 5.097 ( -0.338 -4.957 0.576) 5.002 5.119 ( -2.323 -5.453 -0.146) 5.929 5.150 ( 1.154 -3.115 1.511) 3.649 5.185 ( 1.635 -3.543 0.617) 3.951 5.286 ( -2.674 -0.016 0.608) 2.742 5.345 ( 5.274 -4.274 0.494) 6.807 5.437 ( -3.691 5.633 1.798) 6.971 5.574 ( 7.515 3.829 -2.335) 8.751 6.052 ( -6.254 -2.113 3.915) 7.675 6.185 ( -0.805 -5.503 -3.756) 6.711 6.309 ( 0.598 -3.397 -1.387) 3.718 6.319 ( 1.418 -5.384 1.060) 5.667 6.388 ( -3.330 0.382 2.210) 4.015 6.521 ( 4.225 2.900 -2.971) 5.923 6.606 ( -4.279 0.036 -1.138) 4.428 6.708 ( 3.724 2.741 -1.530) 4.871 6.942 ( -1.606 -2.412 2.690) 3.954 7.029 ( 3.560 -0.790 -3.724) 5.212 7.228 ( -4.901 -3.593 0.140) 6.079 7.286 ( 1.707 -1.262 0.170) 2.130 7.493 ( -1.543 5.211 1.022) 5.530 7.508 ( -3.477 3.517 -2.062) 5.358 7.564 ( -4.274 0.663 -0.008) 4.325 7.648 ( 2.248 -1.524 -0.934) 2.872 7.749 ( -3.058 1.077 -2.565) 4.134 7.821 ( 7.267 -0.105 1.020) 7.339 8.066 ( -3.801 1.996 1.090) 4.429 8.116 ( 1.795 2.587 1.547) 3.508 8.376 ( -4.123 -5.428 3.268) 7.559 8.487 ( 4.448 -4.388 -0.956) 6.321 8.859 ( -3.041 -7.582 5.330) 9.754 9.008 ( 0.839 -8.841 -8.355) 12.193 9.449 ( -8.686 0.733 -5.866) 10.507 9.510 ( 8.322 1.994 6.239) 10.590 9.952 ( 4.745 -2.620 10.188) 11.540 10.024 ( -3.099 -13.653 -6.022) 15.241 10.384 ( 0.667 1.370 2.415) 2.855 10.452 ( -0.395 1.412 -8.999) 9.117 10.791 ( -0.071 -0.865 3.445) 3.553 10.852 ( 2.980 -2.026 -0.781) 3.687 11.391 ( 0.573 -0.417 9.090) 9.118 11.471 ( -1.544 -1.728 -3.083) 3.857 11.904 ( -0.425 6.477 -0.665) 6.525 11.962 ( 3.725 8.483 -3.231) 9.812 12.168 ( 0.459 0.481 3.517) 3.579 12.194 ( -0.962 1.513 -1.296) 2.212 12.464 ( 0.048 2.801 4.060) 4.933 12.516 ( -1.184 3.815 -3.942) 5.612 13.001 ( -5.491 3.456 -0.023) 6.488 13.113 ( 6.205 3.424 0.035) 7.087 13.425 ( -4.673 -0.306 4.726) 6.653 13.576 ( 4.676 0.210 -2.758) 5.433 14.259 ( -5.955 -4.355 -1.300) 7.491 14.349 ( 3.536 -5.300 -0.764) 6.417 14.574 ( -5.669 -0.316 0.869) 5.744 14.649 ( 0.884 3.314 -0.064) 3.430 14.937 ( 0.282 1.346 0.648) 1.520 14.973 ( 2.063 -1.304 -1.577) 2.906 15.282 ( -2.966 0.303 1.057) 3.164 15.479 ( 15.489 -4.564 -1.734) 16.240 16.435 ( -0.344 -1.334 8.510) 8.621 16.551 ( 0.016 -1.582 -5.731) 5.945 16.729 ( -1.314 -1.836 8.656) 8.946 16.851 ( 0.291 -0.149 -5.225) 5.235 17.493 ( -2.952 1.848 1.200) 3.684 17.582 ( 2.319 3.302 -3.879) 5.597 18.283 ( -0.964 -0.478 -0.233) 1.101 18.297 ( 1.955 -1.777 1.353) 2.969 ======================= Grid point 166 (79/108) ======================= q-point: (-0.29 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -13.843 1.029 9.772) 16.976 1.184 ( -8.762 10.043 16.778) 21.428 1.382 ( -6.403 -0.359 6.511) 9.139 1.562 ( -7.257 7.493 -8.200) 13.268 1.586 ( 5.392 2.481 -9.118) 10.880 1.698 ( 0.979 5.029 -0.327) 5.134 1.948 ( -9.157 4.084 4.848) 11.137 2.053 ( 7.353 -1.611 -2.308) 7.874 2.150 ( 7.294 2.446 3.050) 8.275 2.296 ( -2.767 -0.517 -6.639) 7.211 2.460 ( -2.314 0.868 4.318) 4.975 2.630 ( 2.748 2.883 1.226) 4.167 2.718 ( -5.947 -0.418 2.842) 6.605 3.004 ( -0.727 0.732 -1.223) 1.600 3.050 ( -1.326 0.676 5.125) 5.336 3.077 ( 4.241 0.623 1.199) 4.450 3.193 ( 6.836 -2.793 -1.419) 7.519 3.407 ( 1.728 -1.559 -2.219) 3.216 3.527 ( -0.113 -4.698 -4.462) 6.480 3.752 ( 6.667 5.358 -1.457) 8.677 3.866 ( -0.212 1.994 -3.119) 3.708 4.131 ( 8.732 0.180 -1.632) 8.885 4.529 ( -8.572 -3.802 -5.945) 11.103 4.553 ( -5.392 -4.785 1.686) 7.403 4.724 ( 2.256 1.730 0.556) 2.897 4.749 ( 5.529 -4.253 0.899) 7.033 4.901 ( 4.246 0.407 1.478) 4.514 4.985 ( -6.044 -2.664 1.500) 6.773 5.043 ( -1.912 -5.588 -1.028) 5.995 5.108 ( -1.081 -0.277 1.061) 1.539 5.165 ( 1.649 -2.494 -0.736) 3.079 5.185 ( -1.349 -0.279 -2.285) 2.668 5.310 ( 2.525 -3.329 3.201) 5.263 5.416 ( 0.634 0.548 0.903) 1.232 5.508 ( 9.585 -4.772 2.987) 11.116 5.698 ( 7.860 0.579 -3.069) 8.458 5.953 ( -7.230 -0.047 3.927) 8.228 6.099 ( -4.819 -5.282 -2.874) 7.706 6.259 ( -6.734 -0.548 3.340) 7.537 6.357 ( 1.906 -5.279 -2.910) 6.321 6.384 ( 1.169 -2.246 -0.104) 2.534 6.497 ( -3.451 -2.470 -4.844) 6.440 6.574 ( 2.672 3.038 -1.387) 4.277 6.721 ( -2.580 3.566 -2.184) 4.913 6.948 ( 0.215 -3.303 3.329) 4.694 7.062 ( -1.813 -2.522 0.617) 3.167 7.154 ( 0.702 -0.204 -2.752) 2.847 7.294 ( -0.892 1.695 -0.006) 1.915 7.391 ( -6.577 0.066 0.887) 6.637 7.420 ( -4.568 7.058 -1.676) 8.573 7.585 ( 2.584 2.501 5.363) 6.457 7.676 ( -0.007 -0.250 -1.259) 1.284 7.716 ( 0.997 -0.823 -1.024) 1.649 7.912 ( 0.758 2.886 0.711) 3.068 7.989 ( -2.630 -1.674 -0.713) 3.198 8.145 ( -0.046 2.586 0.583) 2.652 8.349 ( -1.382 -8.486 1.521) 8.731 8.544 ( -0.002 -4.506 1.120) 4.643 8.712 ( -6.748 -9.397 -8.060) 14.100 8.966 ( -6.047 2.910 -3.430) 7.537 9.311 ( -2.310 -4.027 -0.401) 4.660 9.664 ( 3.534 1.208 2.599) 4.550 9.941 ( 0.337 -9.920 -5.485) 11.340 10.095 ( 3.751 -3.095 8.746) 10.007 10.356 ( -1.008 -0.136 -3.428) 3.575 10.459 ( 1.115 3.576 0.341) 3.762 10.801 ( 1.687 -7.561 -0.552) 7.767 10.932 ( 4.292 -0.787 0.468) 4.389 11.409 ( -2.228 -0.657 -4.979) 5.494 11.465 ( 1.148 -1.100 8.117) 8.271 11.836 ( -2.980 4.859 -5.735) 8.086 11.999 ( 1.896 7.410 -5.181) 9.238 12.173 ( 0.129 0.072 -1.334) 1.343 12.228 ( 1.360 3.601 4.339) 5.800 12.438 ( -1.723 3.242 -5.768) 6.837 12.477 ( -2.299 2.830 2.004) 4.160 12.965 ( 1.243 0.008 3.791) 3.990 13.272 ( 6.539 4.602 4.793) 9.322 13.401 ( -0.142 1.588 5.809) 6.024 13.653 ( 4.957 0.469 -0.851) 5.051 14.171 ( -3.676 -4.641 2.227) 6.325 14.385 ( -0.873 -7.084 -0.144) 7.139 14.494 ( -1.506 1.026 2.056) 2.748 14.700 ( 2.246 1.898 5.071) 5.862 14.956 ( 1.081 4.312 1.577) 4.717 14.987 ( 1.016 0.106 -2.156) 2.386 15.291 ( 4.702 -0.338 -2.782) 5.474 15.720 ( 13.759 -9.331 -8.692) 18.760 16.505 ( 1.096 -2.557 8.663) 9.098 16.576 ( 4.968 -2.635 -0.036) 5.624 16.756 ( -1.466 -4.089 6.834) 8.097 16.839 ( 1.608 -1.506 -2.896) 3.639 17.423 ( -2.567 2.716 0.693) 3.801 17.663 ( 4.836 3.049 3.256) 6.579 18.245 ( -0.870 0.121 -2.404) 2.559 18.360 ( 2.710 -2.168 1.960) 3.986 ======================= Grid point 167 (80/108) ======================= q-point: (-0.14 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -5.649 8.959 13.954) 17.518 1.036 ( -12.191 17.527 8.658) 23.039 1.316 ( -2.780 5.583 -9.343) 11.234 1.366 ( -5.546 12.669 -11.546) 18.016 1.737 ( 4.646 -0.170 21.759) 22.250 1.742 ( 4.937 0.763 0.644) 5.037 1.858 ( -5.635 -0.355 4.898) 7.475 2.140 ( 3.141 -0.517 -0.088) 3.184 2.189 ( -2.140 -0.799 -1.350) 2.653 2.296 ( 3.128 -0.698 0.949) 3.342 2.461 ( 0.153 2.625 0.343) 2.652 2.632 ( -2.237 1.401 -0.433) 2.674 2.640 ( -2.506 1.308 1.745) 3.322 2.962 ( -1.667 0.452 -4.193) 4.535 3.087 ( 0.727 -0.729 4.836) 4.945 3.158 ( 3.583 0.102 -1.524) 3.895 3.297 ( 4.757 -5.623 -0.469) 7.380 3.406 ( -0.262 -2.534 -1.351) 2.884 3.521 ( 2.793 -5.561 -3.941) 7.366 3.766 ( -1.736 -0.449 -8.544) 8.730 3.936 ( 7.663 2.302 3.351) 8.675 4.228 ( 2.893 0.597 -3.603) 4.660 4.348 ( -4.814 -2.945 -3.479) 6.629 4.500 ( -3.471 -2.039 -1.678) 4.361 4.715 ( -5.592 3.324 2.149) 6.851 4.798 ( 3.844 -1.314 1.844) 4.461 4.940 ( -0.805 -2.552 -1.999) 3.340 4.994 ( 1.819 -1.879 2.591) 3.681 5.054 ( 4.812 -3.413 1.366) 6.055 5.079 ( -2.898 1.020 0.117) 3.074 5.166 ( 1.032 -2.445 0.057) 2.654 5.186 ( 0.427 1.026 -0.071) 1.114 5.389 ( 4.508 -5.388 0.880) 7.080 5.442 ( 1.205 -2.814 0.495) 3.101 5.678 ( 5.066 -2.528 3.917) 6.885 5.796 ( 4.894 -2.898 -3.704) 6.788 5.871 ( -3.365 -0.034 2.569) 4.234 5.995 ( -4.584 -4.217 -2.230) 6.615 6.173 ( -4.035 0.724 4.980) 6.451 6.320 ( -2.705 -4.483 -3.952) 6.561 6.352 ( -4.217 -1.991 -2.528) 5.304 6.465 ( 0.231 -2.463 -1.445) 2.864 6.570 ( -1.899 2.928 -3.728) 5.107 6.619 ( -3.724 4.794 -2.485) 6.559 6.984 ( 0.606 -0.899 3.115) 3.299 7.032 ( -0.055 -0.639 4.689) 4.733 7.153 ( -1.701 0.754 -4.487) 4.858 7.258 ( -2.341 3.453 1.676) 4.496 7.333 ( -0.982 -1.483 -0.012) 1.778 7.350 ( -2.162 4.631 -0.833) 5.178 7.595 ( -4.855 -0.426 1.126) 5.002 7.697 ( 4.045 -2.651 1.084) 4.956 7.750 ( 1.714 1.820 1.529) 2.931 7.871 ( -2.356 6.792 -3.093) 7.826 7.995 ( 1.081 -2.843 0.080) 3.043 8.122 ( -2.082 0.549 -0.420) 2.193 8.241 ( -8.272 -8.955 -0.118) 12.192 8.516 ( -1.016 -1.836 1.017) 2.332 8.646 ( 0.479 -2.949 -2.261) 3.747 8.778 ( -8.543 6.481 -5.576) 12.086 9.331 ( 0.986 -3.785 5.355) 6.632 9.652 ( -1.321 -1.674 -6.658) 6.991 9.991 ( 3.332 -3.946 5.096) 7.255 10.188 ( 1.752 -2.882 4.245) 5.422 10.339 ( 0.299 -0.579 -0.417) 0.773 10.445 ( -1.106 3.972 -3.869) 5.654 10.852 ( 2.925 -9.104 2.718) 9.941 10.998 ( 2.882 -0.688 0.131) 2.966 11.330 ( -3.041 0.183 -4.290) 5.262 11.508 ( -0.154 -0.444 -1.244) 1.329 11.767 ( -1.357 3.365 0.150) 3.631 11.974 ( -0.776 3.642 -4.235) 5.640 12.171 ( 0.877 0.538 -1.701) 1.988 12.247 ( -1.261 4.225 1.579) 4.683 12.379 ( -0.114 3.154 -5.648) 6.470 12.437 ( -3.002 2.447 0.763) 3.947 13.068 ( 5.957 -4.385 4.070) 8.443 13.298 ( -3.161 -2.049 1.762) 4.159 13.535 ( 6.308 9.769 5.698) 12.949 13.720 ( 2.616 1.571 -1.305) 3.319 14.155 ( -1.324 -5.036 4.855) 7.119 14.332 ( -1.901 -6.798 -3.733) 7.986 14.545 ( 2.248 -0.119 6.496) 6.875 14.776 ( 3.152 -1.365 0.186) 3.440 14.987 ( 0.960 3.735 -0.936) 3.968 14.997 ( 1.666 4.746 -0.236) 5.036 15.426 ( 9.332 -6.954 5.004) 12.668 15.840 ( 6.914 -10.627 -11.181) 16.904 16.569 ( -0.136 -2.981 7.588) 8.154 16.670 ( 3.744 -3.634 -0.722) 5.268 16.777 ( 0.834 -5.354 3.514) 6.458 16.856 ( 0.362 -6.620 -0.705) 6.667 17.471 ( 5.198 -4.543 7.627) 10.288 17.766 ( 3.639 -0.365 2.330) 4.337 18.248 ( 3.174 0.674 -0.062) 3.245 18.408 ( 0.916 -2.864 1.281) 3.268 ======================= Grid point 168 (81/108) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -0.942 13.747 10.824) 17.522 1.318 ( 0.413 11.322 -4.993) 12.381 1.435 ( -1.659 17.296 2.824) 17.604 1.577 ( -0.638 13.756 -4.812) 14.587 1.810 ( 1.567 3.405 -1.522) 4.045 1.852 ( 3.048 -2.361 5.604) 6.802 1.878 ( 3.173 0.704 3.065) 4.468 2.048 ( -2.000 1.391 -5.191) 5.734 2.308 ( -1.702 2.274 6.529) 7.120 2.379 ( 4.500 6.424 13.376) 15.506 2.484 ( 1.879 1.149 -8.934) 9.201 2.607 ( -0.523 1.067 0.628) 1.344 2.730 ( -2.227 0.933 5.360) 5.879 2.875 ( -0.882 -2.281 -5.195) 5.742 3.026 ( -1.925 -7.302 0.418) 7.563 3.074 ( 0.474 -7.793 -3.531) 8.569 3.220 ( -1.463 -4.905 3.008) 5.937 3.321 ( -1.710 -2.175 -2.845) 3.968 3.513 ( 1.403 -0.237 -1.717) 2.230 3.528 ( -2.225 -6.081 -0.812) 6.526 4.168 ( 7.085 2.965 0.607) 7.705 4.239 ( -2.990 3.352 -3.381) 5.621 4.287 ( -4.451 -4.706 -1.750) 6.710 4.344 ( 1.920 -1.230 -5.270) 5.742 4.730 ( 1.363 -1.331 4.291) 4.695 4.800 ( 0.413 -2.034 -1.923) 2.830 4.941 ( -0.196 0.732 1.706) 1.867 4.972 ( -0.655 -0.563 0.377) 0.943 5.001 ( 2.254 -5.062 1.849) 5.842 5.041 ( -2.768 -6.798 -1.348) 7.463 5.134 ( 0.973 -1.655 2.691) 3.306 5.217 ( -0.643 2.382 -3.308) 4.127 5.297 ( -2.552 -4.494 5.602) 7.622 5.401 ( 2.944 -3.691 -2.916) 5.549 5.650 ( -0.244 -7.026 4.059) 8.118 5.747 ( 1.334 -6.456 -3.954) 7.688 5.830 ( -1.075 -1.759 1.859) 2.775 5.876 ( -0.070 -2.576 -2.408) 3.527 6.175 ( 0.100 -0.767 3.455) 3.541 6.225 ( 0.447 -0.227 0.091) 0.509 6.325 ( 1.828 -0.792 0.078) 1.994 6.371 ( -2.184 0.815 -4.072) 4.692 6.620 ( 1.836 4.501 -0.533) 4.891 6.625 ( -2.562 4.116 -0.932) 4.937 7.022 ( 2.198 -4.148 2.983) 5.562 7.053 ( -0.521 -2.930 -0.180) 2.981 7.174 ( -5.489 2.486 1.937) 6.329 7.217 ( 6.704 4.333 -1.809) 8.185 7.379 ( -1.985 4.557 -0.403) 4.987 7.406 ( 1.623 4.250 -3.019) 5.460 7.598 ( 1.830 0.808 5.776) 6.112 7.707 ( -1.817 0.034 -2.313) 2.942 7.812 ( -1.987 2.501 1.528) 3.541 7.857 ( -1.192 -0.227 -3.006) 3.242 7.913 ( 2.626 -5.212 2.712) 6.435 8.021 ( -3.918 -0.112 -6.249) 7.377 8.345 ( 4.853 1.600 7.652) 9.201 8.438 ( 0.206 -2.910 -0.878) 3.047 8.616 ( 2.827 -0.832 2.210) 3.684 8.719 ( -6.159 4.626 -6.638) 10.169 9.344 ( 2.092 -2.528 7.362) 8.060 9.511 ( -1.549 -4.509 -7.120) 8.569 10.013 ( -1.578 -3.460 9.718) 10.436 10.161 ( 0.830 -3.425 -2.206) 4.158 10.337 ( 1.449 -0.209 -0.134) 1.470 10.422 ( -1.312 0.267 -6.731) 6.863 10.830 ( 3.152 -3.100 7.098) 8.362 10.979 ( -1.366 -1.954 -4.181) 4.813 11.298 ( -1.048 1.624 4.977) 5.340 11.474 ( -1.393 1.357 -6.437) 6.724 11.826 ( 0.205 1.807 4.914) 5.240 11.957 ( -1.701 1.574 -5.658) 6.114 12.209 ( 1.698 1.059 -0.389) 2.039 12.257 ( -1.612 1.196 -4.596) 5.015 12.439 ( -0.940 4.400 1.901) 4.885 12.484 ( 0.560 4.986 -1.919) 5.372 13.126 ( 4.578 -1.827 2.879) 5.709 13.166 ( -4.011 -2.450 -0.619) 4.741 13.779 ( -1.424 6.133 2.167) 6.659 13.810 ( 2.118 3.555 0.444) 4.162 14.085 ( 0.208 -3.777 4.146) 5.612 14.158 ( -0.210 -6.137 -2.275) 6.549 14.617 ( 2.351 -1.553 7.050) 7.593 14.737 ( -0.025 -3.075 -2.126) 3.738 15.037 ( 0.883 -2.005 1.299) 2.547 15.116 ( -1.606 2.496 -5.649) 6.381 15.420 ( 1.761 -3.004 5.659) 6.645 15.574 ( -1.397 -9.300 -7.644) 12.119 16.508 ( -2.652 -5.045 6.612) 8.730 16.612 ( 1.639 -4.774 -2.100) 5.467 16.684 ( -2.454 -2.172 6.439) 7.225 16.812 ( 2.607 -0.753 -5.002) 5.690 17.506 ( 3.473 -3.294 5.087) 6.985 17.640 ( -3.533 -5.820 -6.275) 9.259 18.351 ( 2.041 2.518 2.879) 4.335 18.395 ( -1.234 2.411 -0.831) 2.833 ======================= Grid point 169 (82/108) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -0.145 13.828 12.034) 18.331 1.275 ( 1.764 9.080 -10.901) 14.296 1.455 ( -1.750 9.168 6.679) 11.477 1.595 ( 3.969 13.126 -4.056) 14.301 1.778 ( -2.048 4.728 -3.995) 6.520 1.901 ( 0.992 3.988 0.343) 4.124 1.955 ( 6.378 1.225 -4.438) 7.867 2.072 ( 4.845 0.302 -0.734) 4.909 2.319 ( -0.813 0.661 6.899) 6.978 2.458 ( 0.896 3.086 -7.434) 8.099 2.509 ( -0.988 2.568 -0.860) 2.883 2.622 ( 5.373 5.494 3.376) 8.393 2.683 ( -5.550 -3.633 5.633) 8.702 2.833 ( -0.334 -0.524 -2.358) 2.438 3.011 ( -0.626 -3.820 2.477) 4.596 3.091 ( 2.052 -6.767 -1.481) 7.225 3.196 ( -3.408 -4.034 5.265) 7.457 3.259 ( -3.590 -1.906 -0.120) 4.066 3.478 ( 0.040 -3.472 -0.757) 3.553 3.599 ( 4.882 -2.408 1.011) 5.536 4.085 ( -7.289 -1.033 -6.592) 9.882 4.177 ( -4.045 3.187 2.879) 5.900 4.309 ( 4.314 1.722 -1.825) 4.990 4.396 ( 4.300 -6.634 -1.128) 7.986 4.775 ( -1.712 -3.694 -3.363) 5.281 4.791 ( 2.480 -2.734 2.027) 4.211 4.891 ( -5.354 1.000 0.604) 5.480 4.952 ( -2.992 -4.426 0.033) 5.343 4.980 ( 0.574 -2.721 1.470) 3.145 5.087 ( 2.645 -3.586 -0.368) 4.471 5.127 ( -3.244 -0.634 3.260) 4.643 5.160 ( -2.115 1.709 -2.820) 3.918 5.289 ( -1.396 -3.211 3.501) 4.951 5.430 ( 1.594 -2.331 -2.594) 3.834 5.633 ( -3.858 -5.953 2.241) 7.439 5.676 ( -4.892 -6.266 -3.288) 8.603 5.861 ( 2.545 -4.748 1.915) 5.718 5.911 ( 4.368 -1.528 -1.329) 4.815 6.192 ( 0.287 -0.142 1.871) 1.898 6.243 ( 1.217 -3.379 -1.977) 4.100 6.316 ( 1.070 -0.719 -2.040) 2.413 6.414 ( 4.961 1.080 0.876) 5.152 6.605 ( 0.904 4.005 -0.291) 4.116 6.684 ( 4.220 5.662 0.996) 7.132 7.001 ( -1.560 -3.662 -1.605) 4.291 7.076 ( -1.689 1.256 3.171) 3.805 7.124 ( -0.054 -1.328 -2.546) 2.872 7.330 ( 2.109 0.701 -2.107) 3.063 7.347 ( 3.698 3.145 -0.623) 4.895 7.470 ( 5.563 6.310 -0.353) 8.419 7.626 ( -2.269 -0.248 -4.028) 4.630 7.653 ( -0.911 0.021 4.511) 4.602 7.809 ( -0.113 0.649 3.347) 3.412 7.855 ( 1.496 -1.257 0.915) 2.158 7.935 ( -0.612 0.791 -3.164) 3.318 8.016 ( 4.535 -3.996 4.493) 7.532 8.310 ( -6.172 0.710 -2.223) 6.598 8.488 ( 2.486 -5.380 -2.724) 6.523 8.591 ( -3.887 -1.041 -3.105) 5.082 8.761 ( 9.173 7.256 6.547) 13.404 9.351 ( -4.658 -5.580 -1.008) 7.338 9.490 ( 3.127 -0.879 0.214) 3.256 10.004 ( -5.474 -5.465 7.846) 11.018 10.105 ( -4.407 -2.111 -4.533) 6.665 10.376 ( 1.119 -0.226 -2.279) 2.549 10.414 ( 4.891 -0.498 0.088) 4.917 10.885 ( -3.946 -2.071 -8.014) 9.169 10.907 ( 0.096 -2.235 6.327) 6.710 11.340 ( -0.510 1.729 7.705) 7.913 11.403 ( -0.642 2.733 -4.604) 5.392 11.889 ( 1.834 1.261 6.652) 7.014 11.905 ( -0.314 1.629 -4.058) 4.384 12.193 ( -1.039 0.724 -2.672) 2.956 12.273 ( 3.593 1.413 0.691) 3.922 12.427 ( -1.555 4.305 0.856) 4.657 12.507 ( 2.814 5.147 -0.498) 5.887 13.082 ( -3.583 -1.104 -1.981) 4.240 13.231 ( 4.480 -2.609 2.033) 5.569 13.729 ( -4.718 4.339 0.482) 6.428 13.794 ( -4.025 6.153 -0.517) 7.370 14.137 ( 3.421 -4.631 2.756) 6.383 14.154 ( 1.089 -5.847 -2.275) 6.368 14.689 ( 1.176 -1.803 4.854) 5.309 14.696 ( -1.407 -2.706 -6.771) 7.426 14.978 ( -5.625 -4.405 -0.390) 7.155 15.112 ( 1.712 3.167 0.537) 3.640 15.406 ( -7.868 -3.215 -1.625) 8.653 15.471 ( -3.764 -5.606 -0.024) 6.752 16.480 ( -4.424 -4.734 5.268) 8.350 16.620 ( 0.142 -2.909 0.263) 2.925 16.688 ( -0.616 -2.090 2.662) 3.440 16.834 ( 3.157 -1.004 -4.563) 5.639 17.528 ( -3.478 -4.320 -6.044) 8.203 17.611 ( 3.468 -5.442 5.627) 8.562 18.340 ( -3.383 4.186 -2.491) 5.930 18.382 ( -0.408 1.369 1.980) 2.442 ======================= Grid point 170 (83/108) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 1.024 11.292 -3.683) 11.922 1.334 ( 5.947 6.342 5.998) 10.562 1.436 ( -5.390 -1.144 5.724) 7.946 1.500 ( -7.065 5.097 -4.098) 9.627 1.812 ( 3.247 14.791 -1.455) 15.213 1.915 ( 3.035 6.402 -8.707) 11.226 2.040 ( 5.396 2.644 -4.643) 7.594 2.124 ( 3.699 -1.952 -2.793) 5.030 2.319 ( -1.531 3.197 -3.174) 4.759 2.416 ( -1.566 6.084 -1.969) 6.584 2.512 ( 3.938 1.614 -1.612) 4.550 2.595 ( -5.451 -1.842 2.920) 6.452 2.753 ( 5.748 2.592 2.580) 6.813 2.865 ( 2.424 -2.644 2.631) 4.448 3.025 ( -2.849 2.016 4.011) 5.317 3.093 ( -0.867 -1.674 1.448) 2.377 3.171 ( -1.452 -3.233 3.048) 4.674 3.232 ( 0.620 -3.983 1.667) 4.362 3.493 ( 1.809 -1.560 -0.629) 2.470 3.684 ( 1.837 0.046 4.221) 4.603 3.929 ( -5.569 -0.365 -5.047) 7.524 4.129 ( -2.785 3.002 1.134) 4.249 4.391 ( 7.393 -5.684 -1.620) 9.465 4.450 ( 1.483 -6.831 1.370) 7.124 4.676 ( -5.966 -4.079 -2.091) 7.524 4.799 ( -1.965 0.459 -0.319) 2.043 4.871 ( 0.720 -3.399 3.304) 4.795 4.918 ( -0.009 -3.844 0.561) 3.885 4.978 ( -4.681 -1.601 -1.971) 5.325 5.041 ( -0.619 -2.446 0.200) 2.531 5.105 ( -1.704 -1.536 -0.599) 2.371 5.154 ( 0.245 -1.397 -0.707) 1.585 5.285 ( -1.297 -2.621 0.703) 3.008 5.404 ( -3.143 -2.270 -1.489) 4.153 5.530 ( -2.945 -2.795 -2.166) 4.602 5.621 ( -2.941 -2.213 1.579) 4.005 5.923 ( 2.911 -5.560 2.739) 6.848 5.997 ( 5.857 -3.383 -1.847) 7.011 6.198 ( -0.956 -4.851 0.451) 4.964 6.236 ( -0.589 -4.321 -1.219) 4.528 6.378 ( 6.165 -0.303 -0.490) 6.192 6.490 ( 3.351 3.010 -1.011) 4.616 6.630 ( 0.867 4.389 -0.055) 4.474 6.764 ( 3.587 4.476 1.143) 5.849 6.966 ( -1.105 -1.980 -2.457) 3.344 7.047 ( -4.089 -2.787 -0.308) 4.958 7.101 ( 1.577 0.081 -1.969) 2.524 7.303 ( -2.312 0.111 -0.265) 2.329 7.440 ( 5.726 -0.731 -2.081) 6.136 7.542 ( 0.227 4.622 1.396) 4.834 7.599 ( 1.649 -1.207 -2.962) 3.599 7.666 ( 1.223 0.705 1.300) 1.920 7.788 ( -2.527 -0.752 0.353) 2.660 7.935 ( 5.017 0.843 0.704) 5.136 7.967 ( 1.835 1.950 3.514) 4.418 8.104 ( 0.881 -2.116 4.345) 4.913 8.210 ( -0.969 -1.277 -0.829) 1.805 8.483 ( -1.144 -7.268 -4.156) 8.450 8.529 ( 0.154 -2.188 -0.318) 2.216 8.958 ( 5.319 3.527 4.392) 7.747 9.252 ( -1.473 -4.915 -3.071) 5.980 9.575 ( 4.189 -0.592 3.846) 5.717 9.930 ( -7.402 -3.614 2.016) 8.480 9.971 ( -6.436 -4.885 -1.822) 8.283 10.372 ( 0.743 -0.997 -2.855) 3.114 10.540 ( 6.630 1.376 3.719) 7.725 10.752 ( -4.165 -1.508 -9.548) 10.525 10.911 ( -2.875 -0.826 3.089) 4.300 11.331 ( -1.026 1.424 0.652) 1.872 11.435 ( 0.279 0.460 6.822) 6.843 11.904 ( 2.621 3.594 -1.189) 4.604 11.963 ( 1.898 2.224 5.151) 5.923 12.171 ( -0.007 0.935 -1.233) 1.547 12.357 ( 4.159 1.740 3.184) 5.520 12.392 ( -2.450 4.612 -0.789) 5.281 12.567 ( 3.392 4.597 0.380) 5.725 13.023 ( -0.847 0.597 -2.525) 2.729 13.304 ( 2.124 -2.264 0.882) 3.227 13.626 ( -5.643 2.694 -2.429) 6.708 13.672 ( -8.394 6.551 -1.029) 10.698 14.157 ( 1.795 -5.626 -3.370) 6.800 14.240 ( 5.062 -4.895 2.075) 7.341 14.603 ( -2.691 -2.702 -7.711) 8.602 14.722 ( -0.327 -2.845 1.985) 3.484 14.904 ( -2.489 -4.770 2.022) 5.747 15.121 ( -3.170 6.309 -1.102) 7.146 15.231 ( -5.990 -1.518 0.363) 6.190 15.406 ( -5.130 -3.409 3.091) 6.892 16.430 ( -4.242 -3.059 4.144) 6.673 16.619 ( -0.031 -2.712 -2.282) 3.545 16.687 ( -1.417 -0.842 3.131) 3.538 16.856 ( 2.655 -1.321 -5.259) 6.037 17.462 ( -0.430 -0.968 -1.847) 2.130 17.684 ( 1.115 -4.248 2.635) 5.122 18.264 ( -2.797 4.439 -1.899) 5.580 18.366 ( -1.897 0.815 0.264) 2.082 ======================= Grid point 171 (84/108) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -3.744 3.373 1.594) 5.285 1.298 ( -8.985 -0.386 1.216) 9.075 1.371 ( -2.063 4.281 6.341) 7.924 1.581 ( 9.557 6.436 6.295) 13.130 1.783 ( 0.703 7.356 -18.181) 19.625 1.930 ( 3.746 8.375 0.021) 9.174 1.990 ( -3.952 3.200 -8.730) 10.103 2.187 ( -0.723 2.879 -4.773) 5.621 2.282 ( 0.279 3.886 0.895) 3.998 2.424 ( 2.362 4.896 -1.961) 5.779 2.486 ( 0.337 1.871 1.107) 2.200 2.632 ( 1.700 2.450 1.338) 3.268 2.857 ( -3.857 0.683 5.988) 7.156 2.874 ( 2.398 1.948 2.342) 3.878 2.977 ( -1.468 -1.536 2.825) 3.535 3.076 ( -0.841 -1.985 -1.941) 2.900 3.214 ( -0.140 -2.339 5.233) 5.733 3.272 ( 3.435 1.697 -0.852) 3.925 3.542 ( 4.955 -2.134 -1.173) 5.521 3.669 ( -5.421 1.442 -0.096) 5.610 3.872 ( 1.154 0.562 3.098) 3.354 4.080 ( -2.018 2.952 -3.609) 5.081 4.472 ( -0.317 -5.278 2.992) 6.076 4.534 ( 4.286 -12.939 -2.072) 13.787 4.617 ( 4.791 -1.850 1.651) 5.394 4.753 ( -3.990 -1.660 0.691) 4.376 4.867 ( -3.897 0.713 -1.566) 4.260 4.903 ( 0.592 -3.967 2.015) 4.489 4.928 ( -0.348 -3.859 -0.837) 3.964 5.008 ( -1.667 -6.284 -1.994) 6.801 5.095 ( -0.841 -2.615 -0.447) 2.783 5.120 ( -1.842 -3.008 -1.316) 3.765 5.255 ( -0.216 -1.666 0.559) 1.770 5.348 ( -1.968 -1.211 -2.302) 3.262 5.522 ( -0.195 0.257 2.663) 2.683 5.579 ( -0.898 0.049 -1.272) 1.558 5.993 ( 1.874 -4.853 3.645) 6.352 6.076 ( 3.680 -4.896 -2.197) 6.507 6.179 ( -0.476 -6.989 -0.274) 7.010 6.205 ( -1.613 -5.257 -1.145) 5.617 6.493 ( 4.719 1.527 1.438) 5.164 6.524 ( 0.520 5.231 -0.581) 5.289 6.631 ( 1.466 3.646 -0.852) 4.021 6.782 ( -2.786 1.905 -2.500) 4.200 6.930 ( -1.854 -1.536 -0.010) 2.408 6.977 ( -0.059 -3.124 -3.068) 4.379 7.157 ( 5.013 -2.191 -1.291) 5.621 7.238 ( -4.669 -3.351 -0.442) 5.764 7.506 ( -0.060 -1.736 2.284) 2.869 7.555 ( 3.154 -1.266 0.117) 3.401 7.613 ( -0.068 3.480 -1.450) 3.770 7.696 ( 2.216 1.183 -0.688) 2.605 7.757 ( -0.819 3.115 0.728) 3.302 7.901 ( -4.375 3.154 -4.507) 7.028 8.060 ( 3.786 1.403 3.812) 5.553 8.142 ( 0.509 -0.991 3.650) 3.816 8.248 ( 1.281 -4.211 4.412) 6.232 8.409 ( -2.493 -4.649 -4.188) 6.735 8.618 ( 7.364 -6.120 3.052) 10.050 8.910 ( -7.378 -7.687 -4.304) 11.491 9.356 ( 9.626 2.717 4.167) 10.835 9.651 ( -1.668 0.259 -0.431) 1.742 9.784 ( -3.296 -3.044 -0.317) 4.498 9.880 ( -5.364 -9.094 2.512) 10.853 10.377 ( 1.323 0.398 -0.446) 1.452 10.601 ( -2.272 3.234 -11.224) 11.899 10.698 ( 5.039 -1.589 4.433) 6.897 10.860 ( -3.528 0.187 0.130) 3.535 11.337 ( -0.429 0.137 5.015) 5.035 11.455 ( -1.299 -1.941 2.154) 3.178 11.985 ( 5.594 5.092 2.002) 7.825 12.015 ( 0.835 3.856 2.516) 4.679 12.173 ( 0.380 1.758 0.865) 1.996 12.329 ( -2.847 4.852 -3.510) 6.631 12.455 ( 3.220 2.289 5.549) 6.812 12.609 ( 1.057 3.737 -1.265) 4.085 13.038 ( 3.752 2.593 0.206) 4.565 13.273 ( -6.003 1.952 -3.111) 7.037 13.521 ( -7.618 2.911 1.504) 8.292 13.541 ( 0.635 0.880 -5.003) 5.120 14.187 ( 3.279 -4.512 -1.298) 5.726 14.283 ( -1.809 -4.133 -1.694) 4.819 14.555 ( 0.425 -2.770 0.475) 2.843 14.696 ( -1.708 -4.731 -2.599) 5.662 14.918 ( 2.472 -0.407 0.567) 2.568 14.993 ( -6.013 3.630 -1.003) 7.095 15.239 ( 1.749 -1.533 4.647) 5.197 15.346 ( -2.371 -1.084 1.040) 2.807 16.395 ( -2.480 -1.501 4.592) 5.431 16.573 ( -1.198 -2.785 -7.370) 7.970 16.693 ( -1.534 -0.020 6.724) 6.896 16.858 ( 1.684 -1.112 -6.040) 6.369 17.488 ( 2.215 1.578 3.445) 4.389 17.677 ( -1.612 -0.665 -2.863) 3.352 18.236 ( 0.124 2.107 1.122) 2.390 18.326 ( -1.939 0.406 -1.489) 2.478 ======================= Grid point 172 (85/108) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -8.625 3.985 9.961) 13.765 1.191 ( -5.774 1.264 15.672) 16.749 1.441 ( 5.431 4.208 -0.341) 6.879 1.678 ( 2.579 5.209 -17.765) 18.691 1.756 ( 1.063 2.953 1.772) 3.604 1.822 ( -2.280 7.327 -7.047) 10.419 2.030 ( 0.595 6.449 1.673) 6.689 2.113 ( 2.328 7.326 -4.984) 9.161 2.291 ( -3.571 3.593 6.109) 7.936 2.361 ( -3.471 0.381 -4.048) 5.346 2.558 ( -4.862 5.742 -3.173) 8.165 2.618 ( 4.941 4.093 2.497) 6.885 2.792 ( -6.665 0.142 6.588) 9.372 2.951 ( 0.859 -3.522 4.501) 5.779 3.002 ( 3.190 0.959 0.586) 3.382 3.072 ( 3.344 -1.272 -4.474) 5.729 3.163 ( -6.847 0.068 5.007) 8.483 3.344 ( 3.728 -0.015 -2.396) 4.431 3.532 ( -5.067 -1.774 -0.710) 5.415 3.691 ( 9.419 0.904 -2.355) 9.751 3.934 ( -1.798 -1.036 3.416) 3.997 4.033 ( 3.316 2.573 -4.151) 5.903 4.474 ( -2.561 -9.597 2.695) 10.292 4.541 ( 1.184 -5.027 -0.868) 5.237 4.654 ( -4.944 -0.659 -1.835) 5.315 4.759 ( 3.577 -1.312 -0.846) 3.902 4.864 ( 2.320 1.584 0.100) 2.811 4.884 ( 2.828 -4.788 -2.592) 6.135 4.957 ( 1.650 -7.723 3.535) 8.652 4.983 ( -0.712 -6.160 -1.635) 6.413 5.073 ( 0.787 -3.635 1.743) 4.107 5.118 ( 1.828 -3.320 -1.953) 4.264 5.277 ( -1.186 -1.996 0.642) 2.409 5.293 ( -0.657 -0.432 0.066) 0.789 5.504 ( -2.704 0.861 2.655) 3.886 5.610 ( 4.390 -0.178 -2.054) 4.850 6.001 ( -3.976 -2.947 3.599) 6.120 6.077 ( -1.368 -5.922 -2.771) 6.680 6.178 ( 0.793 -7.021 0.031) 7.065 6.212 ( 2.874 -5.843 -1.895) 6.782 6.458 ( -4.914 5.399 1.315) 7.418 6.587 ( 4.192 3.450 -0.696) 5.474 6.613 ( -7.357 0.786 -1.203) 7.496 6.743 ( 3.650 0.796 -0.196) 3.741 6.900 ( -1.808 -1.770 2.018) 3.237 6.991 ( 2.131 -3.207 -3.328) 5.090 7.154 ( -3.034 -3.355 -1.151) 4.668 7.244 ( 5.126 -2.290 -1.080) 5.717 7.485 ( -3.919 -2.581 3.638) 5.938 7.557 ( -3.018 0.225 -1.714) 3.478 7.644 ( 3.468 1.062 3.356) 4.941 7.679 ( -2.340 7.499 -4.652) 9.130 7.808 ( -1.582 4.541 -3.181) 5.766 7.816 ( 4.720 -0.106 2.134) 5.181 8.105 ( -2.948 1.375 2.223) 3.940 8.155 ( 1.144 -0.003 0.235) 1.168 8.256 ( -4.246 -5.178 5.069) 8.399 8.390 ( 3.504 -4.454 -3.511) 6.667 8.686 ( -7.522 -7.781 -0.086) 10.823 8.838 ( 7.955 -8.040 -0.681) 11.330 9.467 ( -11.252 1.071 -5.668) 12.645 9.561 ( 8.599 2.784 5.543) 10.603 9.780 ( -4.734 -10.620 2.722) 11.941 9.887 ( 6.469 -4.093 2.102) 7.938 10.410 ( 0.434 1.564 2.304) 2.818 10.496 ( 0.056 2.944 -9.332) 9.785 10.789 ( -3.226 0.371 -2.578) 4.146 10.820 ( 4.772 -1.063 3.113) 5.796 11.377 ( 0.229 -0.960 7.554) 7.619 11.426 ( -1.869 -2.529 -1.148) 3.348 12.013 ( -1.763 4.662 -1.298) 5.150 12.084 ( 4.025 3.282 -2.881) 5.939 12.204 ( 0.501 3.124 4.779) 5.732 12.267 ( 0.391 5.691 -4.059) 7.001 12.526 ( 0.176 3.030 5.010) 5.857 12.585 ( -1.200 2.843 -4.113) 5.142 13.083 ( -6.531 4.496 -1.446) 8.060 13.180 ( 6.052 2.902 1.826) 6.956 13.428 ( -4.310 0.999 4.120) 6.046 13.581 ( 5.567 0.236 -3.092) 6.373 14.183 ( -5.523 -2.953 -0.959) 6.336 14.254 ( 2.691 -3.980 0.304) 4.814 14.531 ( -5.416 -3.712 3.934) 7.654 14.685 ( 2.563 -0.245 -3.468) 4.319 14.925 ( -0.324 -2.427 0.127) 2.452 14.994 ( 4.651 3.608 -0.701) 5.928 15.295 ( 0.926 0.787 1.731) 2.115 15.370 ( 6.134 -6.168 -1.906) 8.906 16.407 ( -0.381 -1.310 6.675) 6.813 16.511 ( -0.133 -2.348 -6.027) 6.469 16.709 ( -1.964 -0.294 7.139) 7.411 16.842 ( 1.030 -0.750 -6.242) 6.371 17.543 ( -1.559 2.732 3.577) 4.763 17.629 ( 1.657 1.358 -3.683) 4.261 18.272 ( 1.424 -0.136 2.072) 2.518 18.287 ( -0.231 1.029 -1.827) 2.110 ======================= Grid point 173 (86/108) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -4.792 10.924 7.987) 14.356 1.298 ( -0.535 2.557 29.017) 29.134 1.474 ( -3.706 7.735 -1.504) 8.708 1.635 ( 2.619 4.043 -11.575) 12.538 1.659 ( 3.154 3.381 -10.476) 11.451 1.854 ( -2.159 8.807 4.106) 9.954 2.024 ( 0.337 6.096 -5.649) 8.318 2.071 ( -5.742 2.426 2.201) 6.610 2.274 ( -3.539 1.646 -1.846) 4.317 2.323 ( 2.563 11.019 5.499) 12.579 2.483 ( -2.082 1.131 2.382) 3.360 2.659 ( -1.017 -0.217 -1.788) 2.068 2.702 ( -4.930 -1.124 2.314) 5.561 2.953 ( -2.253 -4.111 0.750) 4.748 3.075 ( 1.832 0.339 4.940) 5.279 3.097 ( -0.171 0.299 0.543) 0.643 3.141 ( 4.501 -2.793 -3.541) 6.372 3.348 ( 0.591 -4.373 -4.804) 6.524 3.483 ( -0.967 1.061 0.566) 1.543 3.816 ( -4.922 -4.410 -4.484) 7.986 3.853 ( 5.786 1.438 1.121) 6.066 4.146 ( 7.614 1.694 -0.813) 7.842 4.394 ( -5.423 -7.253 -1.685) 9.212 4.536 ( -0.415 -1.876 -5.138) 5.486 4.637 ( 2.432 -3.097 1.915) 4.379 4.779 ( 1.409 1.972 -0.462) 2.467 4.900 ( -1.978 -4.433 1.142) 4.987 4.913 ( 2.933 -2.269 2.094) 4.259 4.945 ( 0.109 -1.012 -1.866) 2.125 5.055 ( 4.896 -7.144 0.339) 8.667 5.105 ( 0.074 -2.591 -0.436) 2.628 5.156 ( 1.578 -2.394 -0.944) 3.018 5.253 ( 1.109 -2.052 2.818) 3.658 5.336 ( 2.587 -4.439 3.346) 6.131 5.491 ( 0.612 -0.501 1.137) 1.385 5.680 ( 4.493 -2.167 -2.295) 5.491 5.931 ( -5.382 -2.438 3.216) 6.727 6.009 ( -3.264 -4.267 -4.148) 6.788 6.191 ( -0.782 -6.226 1.685) 6.497 6.238 ( 0.729 -3.955 -1.328) 4.235 6.386 ( -3.688 0.724 -1.503) 4.048 6.479 ( -4.539 0.663 -0.255) 4.594 6.638 ( 1.370 3.344 -1.001) 3.750 6.770 ( -1.846 1.315 0.877) 2.430 6.907 ( 0.732 -0.715 2.544) 2.742 6.998 ( 0.056 -3.429 2.395) 4.183 7.137 ( 2.374 -1.093 -4.153) 4.907 7.313 ( 3.005 -0.068 -1.288) 3.270 7.396 ( -7.061 0.534 1.793) 7.304 7.531 ( -0.559 -1.797 3.009) 3.549 7.593 ( -2.512 6.760 -3.117) 7.857 7.707 ( 0.218 0.627 -1.667) 1.794 7.780 ( 0.774 5.482 0.322) 5.545 7.910 ( 1.476 -0.924 1.846) 2.538 8.025 ( -2.919 3.853 -0.345) 4.846 8.154 ( -2.730 -6.726 0.129) 7.261 8.204 ( -3.029 -0.038 0.876) 3.153 8.439 ( 1.832 -6.038 -0.512) 6.331 8.556 ( -2.760 -5.922 -2.381) 6.954 8.982 ( 4.165 -1.760 1.439) 4.745 9.244 ( -8.201 -1.484 -2.953) 8.842 9.645 ( -2.128 -4.765 -1.008) 5.315 9.803 ( 5.221 -2.431 6.978) 9.048 10.019 ( 6.145 -4.801 1.579) 7.956 10.371 ( -1.510 1.653 -4.512) 5.037 10.528 ( 2.308 3.407 3.263) 5.252 10.708 ( -1.813 -2.373 -5.379) 6.153 10.915 ( 3.812 -1.024 1.970) 4.411 11.379 ( -2.162 -1.983 -2.096) 3.605 11.440 ( 1.026 -1.412 7.466) 7.668 11.938 ( -3.843 5.016 -4.716) 7.885 12.087 ( 0.479 2.444 -6.722) 7.169 12.196 ( -0.597 2.307 -1.487) 2.809 12.320 ( 2.555 4.843 1.755) 5.750 12.499 ( -1.730 2.778 -5.363) 6.282 12.548 ( -2.695 3.993 1.783) 5.136 12.989 ( -1.526 2.359 0.444) 2.845 13.276 ( -0.940 -2.341 3.272) 4.132 13.488 ( 7.574 5.064 8.810) 12.674 13.675 ( 5.854 1.626 -0.768) 6.124 14.092 ( -4.000 -2.907 1.205) 5.090 14.265 ( -2.358 -4.864 0.081) 5.406 14.485 ( -0.895 -1.623 3.024) 3.547 14.707 ( 0.588 -0.299 1.928) 2.038 14.948 ( 2.814 -4.297 -1.729) 5.419 15.079 ( 4.359 7.130 1.400) 8.473 15.314 ( 2.574 1.868 -4.447) 5.467 15.492 ( 8.367 -11.694 -4.104) 14.953 16.451 ( 0.124 -2.540 6.329) 6.821 16.514 ( 2.911 -3.253 -0.557) 4.401 16.711 ( -2.963 -0.779 6.994) 7.636 16.820 ( 1.089 -0.744 -6.038) 6.180 17.481 ( -3.155 2.878 -1.883) 4.667 17.688 ( 3.013 -0.399 1.188) 3.263 18.261 ( 0.538 1.802 -1.598) 2.468 18.341 ( 2.712 0.453 2.366) 3.627 ======================= Grid point 174 (87/108) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.657 14.466 9.749) 17.457 1.361 ( -4.401 13.102 -1.546) 13.908 1.453 ( -0.730 8.843 12.254) 15.129 1.611 ( 0.635 6.594 -6.284) 9.132 1.726 ( 6.821 0.821 0.135) 6.872 1.806 ( -4.804 6.892 6.077) 10.368 1.899 ( -5.240 6.358 -0.488) 8.253 2.094 ( 1.777 -1.583 -3.415) 4.162 2.238 ( -0.481 5.698 5.964) 8.263 2.344 ( -2.174 5.429 3.114) 6.626 2.506 ( 1.062 1.608 -1.312) 2.331 2.610 ( -2.168 -1.491 1.456) 3.008 2.686 ( 1.826 0.321 1.973) 2.707 2.921 ( -1.183 -4.092 -1.737) 4.600 3.064 ( -2.384 -3.823 0.880) 4.591 3.113 ( -0.115 -4.585 -5.174) 6.914 3.194 ( 2.427 -4.427 1.405) 5.240 3.344 ( 1.262 -2.475 -3.193) 4.233 3.480 ( 0.724 1.307 -0.074) 1.496 3.656 ( -7.904 -7.713 -2.822) 11.399 4.005 ( 9.378 3.264 -0.239) 9.932 4.250 ( 4.528 1.594 -2.582) 5.451 4.309 ( -1.817 -1.901 -2.456) 3.598 4.459 ( -4.376 -3.530 -6.545) 8.628 4.688 ( 0.700 -2.126 3.909) 4.504 4.801 ( -0.102 -0.818 0.935) 1.246 4.901 ( 3.091 -1.939 0.512) 3.685 4.939 ( 0.459 -1.958 -0.304) 2.034 4.987 ( 1.642 -3.479 2.666) 4.680 5.080 ( -1.111 -3.680 -1.055) 3.986 5.102 ( 0.597 -1.131 0.638) 1.429 5.199 ( 3.640 -0.707 -0.901) 3.815 5.290 ( 0.251 -3.521 3.033) 4.654 5.384 ( 0.169 -2.566 1.189) 2.833 5.570 ( 5.589 -7.908 3.074) 10.160 5.727 ( 2.783 -3.974 -3.142) 5.780 5.865 ( -3.884 -1.660 2.082) 4.709 5.928 ( -2.614 -2.795 -3.617) 5.266 6.167 ( -2.851 -1.629 4.187) 5.321 6.233 ( -0.445 -2.714 -0.337) 2.771 6.320 ( -0.672 -1.487 -3.308) 3.688 6.437 ( -2.003 -0.073 -0.904) 2.199 6.621 ( -1.149 2.658 -1.494) 3.258 6.707 ( -4.714 3.918 -0.864) 6.190 6.949 ( 2.313 -1.623 2.845) 4.010 7.040 ( 1.496 -1.849 4.095) 4.736 7.155 ( 2.457 0.902 -3.828) 4.638 7.272 ( -6.433 0.832 2.238) 6.862 7.361 ( 1.932 3.342 -1.210) 4.045 7.483 ( -4.861 5.081 -0.402) 7.044 7.575 ( -1.404 -0.293 -0.343) 1.474 7.687 ( 1.919 1.607 0.689) 2.596 7.813 ( 1.035 2.867 1.879) 3.581 7.874 ( -1.880 -3.240 -1.104) 3.905 7.987 ( -4.933 -1.983 -5.122) 7.382 8.131 ( -3.297 0.353 -4.308) 5.436 8.172 ( 4.517 3.480 8.263) 10.039 8.444 ( -0.188 -5.681 0.752) 5.734 8.566 ( 2.450 -4.448 0.040) 5.078 8.899 ( -8.447 5.937 -5.651) 11.770 9.241 ( 3.724 -4.893 5.541) 8.278 9.583 ( -2.142 -5.312 -4.431) 7.241 9.938 ( 3.021 -1.502 8.946) 9.561 10.117 ( 4.457 -4.609 -0.581) 6.438 10.335 ( -0.260 0.249 -1.771) 1.807 10.512 ( -3.370 2.872 -4.574) 6.366 10.724 ( 3.946 -3.919 3.449) 6.544 10.979 ( 2.176 -1.273 0.446) 2.560 11.324 ( -2.522 -0.393 -1.115) 2.786 11.495 ( 0.722 -0.927 2.562) 2.819 11.844 ( -3.047 4.105 -2.626) 5.747 12.029 ( -1.470 2.329 -7.118) 7.632 12.189 ( 0.917 1.154 -1.479) 2.088 12.322 ( -2.027 2.683 -2.133) 3.982 12.450 ( -0.143 3.881 -3.431) 5.182 12.505 ( -2.384 4.465 0.759) 5.118 13.027 ( 3.674 -0.122 2.802) 4.622 13.238 ( -3.881 -3.263 1.277) 5.229 13.695 ( 7.470 4.799 5.998) 10.715 13.762 ( 3.178 3.466 1.105) 4.831 14.065 ( -1.188 -3.713 4.099) 5.657 14.201 ( -2.923 -5.577 -1.953) 6.593 14.530 ( 2.018 -1.285 6.006) 6.465 14.732 ( 0.726 -2.384 1.157) 2.747 14.993 ( 3.065 -3.251 -0.946) 4.567 15.147 ( 1.433 7.255 0.340) 7.403 15.343 ( 3.859 -0.986 -1.996) 4.455 15.584 ( 5.094 -11.675 -6.496) 14.299 16.491 ( -0.328 -3.906 6.112) 7.261 16.576 ( 3.252 -5.447 0.015) 6.344 16.696 ( -3.650 -1.264 7.267) 8.230 16.807 ( 1.745 -0.869 -5.537) 5.870 17.448 ( 0.280 0.723 1.064) 1.317 17.710 ( -0.534 -4.138 -2.581) 4.906 18.289 ( 2.558 3.363 1.378) 4.444 18.391 ( 1.405 1.099 1.090) 2.090 ======================= Grid point 175 (88/108) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -0.329 11.578 7.435) 13.764 1.496 ( -1.324 7.223 -3.927) 8.328 1.643 ( -5.538 5.759 1.575) 8.143 1.692 ( 4.811 0.639 -1.983) 5.243 1.845 ( 2.724 2.705 0.928) 3.950 1.916 ( 1.009 4.828 8.235) 9.599 1.985 ( 0.674 8.457 -0.908) 8.532 2.205 ( 2.416 10.241 -8.279) 13.389 2.357 ( -2.975 2.993 5.740) 7.124 2.457 ( 4.045 -1.757 -1.917) 4.809 2.580 ( -2.028 3.090 9.894) 10.562 2.629 ( -0.429 4.728 3.643) 5.984 2.695 ( -1.732 1.359 -2.284) 3.172 2.800 ( 3.044 -3.304 1.004) 4.604 2.867 ( -1.257 -7.044 -2.334) 7.526 2.943 ( -0.653 -5.232 -3.764) 6.478 3.162 ( -0.879 -1.533 2.516) 3.074 3.259 ( -0.541 -4.220 -5.444) 6.909 3.455 ( -2.896 -1.264 3.834) 4.969 3.550 ( 0.513 1.609 -3.820) 4.176 4.108 ( 1.771 -7.656 -0.918) 7.912 4.187 ( -2.302 -4.590 -6.968) 8.656 4.320 ( -2.093 4.133 2.182) 5.122 4.381 ( 3.544 5.464 -2.751) 7.070 4.702 ( -1.081 -1.224 4.737) 5.010 4.792 ( 0.502 -0.148 -3.388) 3.428 4.865 ( 0.047 -6.336 2.267) 6.730 4.903 ( 0.677 -5.199 -1.473) 5.446 4.928 ( 0.661 -0.620 2.685) 2.834 4.988 ( -1.431 -1.764 -2.479) 3.362 5.115 ( 0.380 -0.372 5.422) 5.448 5.216 ( 0.770 -3.497 2.036) 4.119 5.254 ( -2.195 0.212 -1.682) 2.774 5.326 ( 2.465 -4.530 -3.498) 6.232 5.520 ( 3.013 -5.141 3.683) 7.005 5.585 ( -2.020 -8.534 -2.170) 9.034 5.793 ( -1.367 -1.818 1.288) 2.614 5.828 ( -0.426 -2.753 -1.963) 3.408 6.180 ( 0.980 1.232 1.863) 2.439 6.224 ( 0.799 0.357 -1.665) 1.881 6.318 ( 0.710 0.017 2.692) 2.784 6.387 ( -0.272 0.094 -3.519) 3.530 6.705 ( -1.890 4.040 0.828) 4.537 6.713 ( 2.018 4.386 0.026) 4.828 6.937 ( -2.125 -3.709 1.021) 4.395 6.973 ( 3.815 -4.284 -2.505) 6.260 7.233 ( -5.182 2.660 2.792) 6.459 7.277 ( 5.063 1.936 -1.077) 5.527 7.454 ( -2.336 2.105 0.411) 3.171 7.482 ( 3.206 2.917 -1.877) 4.724 7.603 ( 0.969 0.063 4.949) 5.043 7.717 ( -1.759 0.492 -4.520) 4.875 7.789 ( 1.434 -3.873 0.445) 4.154 7.801 ( -1.941 -2.758 -1.015) 3.522 7.917 ( -2.715 2.910 3.834) 5.526 8.045 ( -1.527 1.229 -6.903) 7.176 8.283 ( -0.586 -6.123 3.400) 7.028 8.342 ( 2.411 -6.226 -1.654) 6.878 8.682 ( 5.859 7.306 7.417) 11.946 8.839 ( -5.898 7.284 -6.531) 11.423 9.294 ( 3.208 -2.675 5.819) 7.163 9.404 ( -1.286 -6.520 -3.248) 7.397 9.943 ( -3.294 -3.450 6.775) 8.285 10.070 ( 2.972 -5.648 -3.850) 7.454 10.338 ( 1.659 0.290 -1.258) 2.102 10.420 ( -2.916 -0.540 -7.650) 8.205 10.805 ( 2.499 0.278 8.577) 8.938 10.946 ( -1.388 -1.638 -1.778) 2.788 11.335 ( -0.374 2.220 6.105) 6.507 11.488 ( -0.369 0.068 -2.842) 2.867 11.867 ( -0.367 2.427 1.263) 2.761 11.985 ( -1.587 1.111 -7.359) 7.610 12.221 ( 1.581 0.214 -0.501) 1.672 12.263 ( -2.027 -0.451 -4.365) 4.834 12.529 ( -1.264 4.630 2.095) 5.237 12.580 ( 1.002 4.607 -2.007) 5.124 13.109 ( 2.124 -0.414 1.898) 2.879 13.136 ( -1.348 -0.725 -0.466) 1.599 13.853 ( 2.885 1.349 3.004) 4.378 13.867 ( -1.589 2.394 2.014) 3.509 14.034 ( 1.170 -1.268 2.229) 2.818 14.071 ( -1.746 -2.749 -0.914) 3.382 14.586 ( 1.887 -1.195 6.471) 6.845 14.693 ( -0.478 -1.297 -1.175) 1.815 14.914 ( -1.782 -7.927 0.353) 8.133 14.992 ( -0.099 -11.562 -6.989) 13.511 15.510 ( 1.922 9.027 3.660) 9.929 15.586 ( -0.868 7.130 -2.962) 7.770 16.436 ( -2.211 -2.348 4.430) 5.480 16.521 ( 2.828 -4.106 -2.648) 5.645 16.677 ( -2.349 0.471 5.187) 5.713 16.794 ( 2.589 -1.274 -5.168) 5.919 17.476 ( 1.420 -0.417 1.887) 2.398 17.556 ( -3.133 -2.939 -5.086) 6.657 18.412 ( 0.957 3.315 2.766) 4.422 18.451 ( -0.037 2.791 -0.581) 2.851 ======================= Grid point 176 (89/108) ======================= q-point: ( 0.14 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 1.031 10.482 8.557) 13.570 1.461 ( 0.443 9.302 -6.001) 11.079 1.528 ( -7.116 3.200 2.701) 8.256 1.714 ( -2.405 3.394 -3.162) 5.225 1.914 ( 5.792 0.946 1.254) 6.001 1.988 ( 6.495 4.581 -8.416) 11.576 2.048 ( 1.143 9.665 8.574) 12.971 2.195 ( 3.830 7.764 -10.909) 13.926 2.326 ( -3.502 -0.014 3.701) 5.095 2.513 ( 4.047 0.689 -1.769) 4.470 2.556 ( -3.882 -1.406 3.706) 5.548 2.633 ( -2.930 7.559 1.151) 8.188 2.715 ( 1.408 0.368 6.671) 6.828 2.843 ( 0.452 3.229 -0.920) 3.388 2.869 ( 5.999 -7.862 -3.804) 10.596 2.975 ( 5.038 -3.746 0.264) 6.284 3.149 ( -2.644 -1.648 2.695) 4.120 3.218 ( -1.446 -2.972 -1.307) 3.554 3.451 ( -0.542 -0.029 4.217) 4.252 3.572 ( 3.844 -0.922 -0.955) 4.067 3.987 ( -7.351 -7.599 -3.021) 10.996 4.210 ( -0.049 -5.478 -0.335) 5.488 4.271 ( -2.931 0.120 1.943) 3.519 4.384 ( -0.899 5.403 -3.590) 6.549 4.700 ( -2.115 -2.129 3.230) 4.409 4.766 ( -1.262 -2.143 -1.368) 2.839 4.850 ( -3.397 -3.592 2.492) 5.536 4.895 ( 0.082 -3.029 -3.192) 4.401 4.934 ( 0.437 -1.744 1.395) 2.275 5.021 ( 3.206 -1.674 -1.045) 3.765 5.113 ( -2.907 -0.637 2.118) 3.653 5.185 ( -2.355 -1.193 -4.221) 4.979 5.233 ( 0.099 -1.566 2.936) 3.329 5.386 ( 4.654 -2.718 -2.512) 5.946 5.483 ( -5.426 -7.113 -1.927) 9.152 5.584 ( 0.157 -4.480 1.855) 4.852 5.778 ( -0.255 -3.269 1.816) 3.749 5.855 ( 3.039 -3.666 0.124) 4.764 6.175 ( -1.992 -0.610 -0.796) 2.230 6.223 ( -0.087 0.437 -1.233) 1.311 6.307 ( 0.126 0.087 -0.740) 0.755 6.451 ( 6.394 1.505 -0.824) 6.620 6.690 ( 0.994 4.961 -0.286) 5.067 6.781 ( 3.827 4.015 0.305) 5.555 6.906 ( -0.939 -5.580 -0.079) 5.659 7.019 ( 2.130 -4.136 -3.156) 5.621 7.163 ( -3.956 2.949 2.346) 5.463 7.352 ( 3.604 1.062 -1.825) 4.177 7.395 ( -3.004 1.398 -0.119) 3.315 7.554 ( 4.322 0.812 -1.743) 4.731 7.631 ( -2.993 1.416 -0.040) 3.311 7.654 ( 0.113 0.042 1.309) 1.314 7.761 ( -1.539 -2.570 0.253) 3.006 7.828 ( 2.061 -2.451 0.930) 3.335 7.949 ( 2.109 -1.184 6.962) 7.370 8.022 ( 2.086 4.180 -1.776) 4.998 8.270 ( -2.488 -4.648 1.881) 5.598 8.352 ( 0.690 -6.805 -4.068) 7.958 8.637 ( -6.765 5.583 -3.641) 9.497 8.916 ( 9.158 8.246 4.306) 13.054 9.248 ( -5.748 -5.138 -2.250) 8.031 9.463 ( 5.731 -2.234 0.115) 6.153 9.888 ( -7.070 -5.527 6.303) 10.967 10.043 ( -2.728 -4.223 -5.008) 7.096 10.356 ( -0.035 -1.227 -4.298) 4.470 10.407 ( 5.115 -0.629 2.823) 5.876 10.875 ( -2.332 0.418 -3.005) 3.826 10.887 ( -0.167 0.112 4.127) 4.132 11.374 ( -1.110 1.851 6.578) 6.923 11.442 ( -0.601 1.397 -4.395) 4.651 11.915 ( 2.373 1.408 5.051) 5.755 11.935 ( 0.888 1.400 -3.794) 4.140 12.203 ( -0.915 0.384 -2.004) 2.237 12.282 ( 3.736 -0.472 0.822) 3.855 12.510 ( -1.971 4.259 1.427) 4.905 12.605 ( 2.547 4.403 -0.970) 5.178 13.078 ( -1.964 0.473 -1.170) 2.334 13.194 ( 4.088 -1.319 0.377) 4.312 13.796 ( -5.725 2.588 -0.858) 6.341 13.881 ( -2.329 2.617 0.806) 3.595 14.051 ( 0.601 -3.410 -0.930) 3.585 14.085 ( 2.728 -1.743 2.248) 3.942 14.627 ( -2.311 -2.901 0.325) 3.723 14.670 ( 0.148 -1.433 -0.591) 1.557 14.826 ( -4.811 -7.848 1.632) 9.348 15.025 ( 4.018 -8.886 -1.011) 9.804 15.469 ( -7.541 7.456 -2.151) 10.820 15.530 ( -3.441 7.695 0.665) 8.455 16.417 ( -2.644 -1.847 3.445) 4.719 16.550 ( 2.509 -3.890 -3.651) 5.896 16.676 ( -1.430 0.346 4.782) 5.003 16.811 ( 3.041 -1.541 -5.348) 6.342 17.479 ( -1.890 -1.063 -2.619) 3.400 17.539 ( 2.709 -2.399 4.226) 5.563 18.420 ( -2.205 3.452 -1.819) 4.482 18.426 ( -1.157 2.861 1.145) 3.291 ======================= Grid point 177 (90/108) ======================= q-point: ( 0.29 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -4.110 6.913 -4.214) 9.080 1.456 ( -4.195 6.053 2.976) 7.943 1.495 ( 1.009 8.220 5.156) 9.756 1.631 ( -1.328 9.513 0.677) 9.629 1.982 ( 1.909 -0.632 -10.454) 10.645 2.039 ( 1.098 3.934 -3.770) 5.558 2.092 ( 3.959 7.481 1.804) 8.655 2.212 ( 4.777 7.942 -9.278) 13.114 2.325 ( 0.447 -2.949 6.265) 6.939 2.530 ( -0.591 4.787 0.340) 4.836 2.537 ( -2.069 -0.000 -2.507) 3.251 2.611 ( 0.829 6.064 2.303) 6.539 2.773 ( 1.905 -5.022 5.752) 7.869 2.857 ( 3.951 6.553 -3.579) 8.448 2.980 ( 4.977 -5.200 -0.509) 7.216 3.072 ( 2.458 -0.951 1.350) 2.962 3.109 ( -3.552 -1.946 4.561) 6.100 3.199 ( 2.122 -0.572 -0.750) 2.322 3.476 ( -0.134 -0.492 4.139) 4.170 3.666 ( 5.267 -1.722 2.348) 6.018 3.863 ( -4.770 -6.703 -3.260) 8.849 4.134 ( -4.924 -4.852 0.579) 6.937 4.256 ( -2.551 -6.864 2.318) 7.681 4.344 ( -1.139 -1.522 -0.604) 1.994 4.672 ( -2.259 2.810 1.340) 3.847 4.725 ( -3.960 -7.263 2.219) 8.565 4.820 ( -0.553 -2.583 1.923) 3.267 4.873 ( -0.316 -1.218 -1.942) 2.314 4.941 ( -0.409 0.395 -1.491) 1.596 5.035 ( 0.036 0.875 -3.381) 3.493 5.081 ( -0.532 -1.372 -2.125) 2.585 5.121 ( -2.440 -1.299 -1.004) 2.941 5.249 ( -0.555 -1.307 0.127) 1.425 5.353 ( -3.645 -3.279 -3.339) 5.932 5.463 ( 2.803 -3.821 -0.260) 4.746 5.577 ( -2.227 -2.111 2.476) 3.943 5.819 ( 2.748 -4.942 3.544) 6.673 5.918 ( 3.874 -4.460 -0.416) 5.922 6.119 ( -3.036 -2.480 -1.657) 4.257 6.182 ( -2.978 -1.872 -1.526) 3.834 6.366 ( 5.984 -0.482 0.530) 6.026 6.553 ( 5.693 2.693 -1.852) 6.564 6.716 ( 1.509 4.385 -0.977) 4.739 6.828 ( 1.331 2.329 -1.510) 3.078 6.902 ( -0.020 -4.872 -0.160) 4.874 6.989 ( -2.471 -2.598 -4.140) 5.476 7.133 ( -0.320 2.698 0.596) 2.782 7.302 ( -5.693 0.018 -1.370) 5.855 7.413 ( 3.230 -1.797 -0.367) 3.714 7.543 ( -1.871 -0.742 -1.802) 2.701 7.644 ( 2.498 1.748 1.486) 3.392 7.682 ( 1.085 0.924 1.973) 2.434 7.749 ( -0.191 -1.600 1.716) 2.354 7.897 ( 3.030 -4.378 3.548) 6.399 8.039 ( 0.437 -3.727 5.351) 6.536 8.058 ( 3.563 6.170 -0.552) 7.146 8.246 ( -0.615 2.028 2.573) 3.334 8.325 ( 0.124 -7.067 -4.847) 8.570 8.528 ( -2.120 2.743 -2.885) 4.510 8.987 ( -6.279 -1.017 -0.894) 6.424 9.229 ( 8.200 2.253 -0.084) 8.504 9.557 ( 4.815 -1.233 -0.421) 4.988 9.793 ( -7.559 -7.393 6.129) 12.221 9.918 ( -6.888 -3.143 -5.960) 9.636 10.353 ( 1.405 -0.347 -0.800) 1.654 10.536 ( 5.692 -1.546 5.308) 7.935 10.779 ( -2.516 3.203 -8.708) 9.614 10.906 ( -1.998 0.154 3.791) 4.288 11.356 ( -1.558 1.234 -0.436) 2.035 11.436 ( -1.234 -0.162 3.231) 3.462 11.959 ( 3.606 2.186 0.474) 4.243 12.012 ( 3.568 2.287 4.917) 6.491 12.195 ( 0.626 1.616 0.250) 1.751 12.370 ( 4.420 -0.543 2.722) 5.219 12.477 ( -2.253 4.217 0.119) 4.782 12.647 ( 2.051 3.051 0.046) 3.677 13.054 ( 0.781 2.356 -1.650) 2.981 13.262 ( 3.275 -1.973 -0.630) 3.875 13.666 ( -6.863 1.964 -2.465) 7.552 13.778 ( -8.262 3.438 -2.441) 9.275 14.070 ( 2.304 -2.808 -0.786) 3.717 14.169 ( 4.598 -2.494 2.033) 5.612 14.542 ( -3.578 -2.890 -4.448) 6.398 14.651 ( -4.681 -4.436 4.823) 8.053 14.822 ( 3.422 -2.309 0.386) 4.146 15.095 ( 3.522 -7.536 1.602) 8.471 15.281 ( -10.674 6.768 -2.911) 12.970 15.444 ( -6.224 4.373 0.391) 7.617 16.391 ( -2.266 -0.942 2.683) 3.636 16.554 ( 0.951 -3.729 -5.429) 6.655 16.684 ( -1.084 0.455 4.773) 4.916 16.828 ( 2.630 -1.839 -5.646) 6.494 17.467 ( 1.048 1.179 1.623) 2.264 17.613 ( 2.088 -2.877 4.018) 5.365 18.354 ( -2.963 4.390 -2.507) 5.860 18.397 ( -2.275 2.123 -0.365) 3.133 ======================= Grid point 178 (91/108) ======================= q-point: ( 0.43 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -5.295 7.875 2.072) 9.713 1.356 ( -7.397 8.066 3.252) 11.418 1.512 ( 1.432 8.788 0.676) 8.929 1.724 ( 5.379 7.260 2.723) 9.437 1.903 ( 0.936 5.968 -14.912) 16.089 2.046 ( 0.869 2.888 5.040) 5.873 2.094 ( -1.602 3.723 -8.112) 9.068 2.254 ( 1.126 5.756 -3.053) 6.612 2.376 ( -0.299 2.864 3.888) 4.838 2.440 ( -1.506 2.105 -5.035) 5.662 2.563 ( 2.061 3.730 3.544) 5.543 2.667 ( 2.071 -0.282 1.919) 2.837 2.845 ( 1.992 -3.392 4.077) 5.665 2.914 ( -1.154 2.769 1.373) 3.299 2.951 ( -2.013 1.574 -0.084) 2.557 3.046 ( -0.077 -0.909 -5.489) 5.564 3.168 ( 1.626 -1.723 7.193) 7.573 3.289 ( 6.105 -0.988 -2.665) 6.734 3.503 ( 1.654 -1.494 3.297) 3.980 3.677 ( -7.002 -1.045 -0.497) 7.097 3.841 ( 5.521 -3.779 1.684) 6.899 4.060 ( -4.674 -6.110 -2.042) 7.959 4.264 ( 3.598 -11.853 1.926) 12.536 4.313 ( -3.395 -11.567 3.144) 12.459 4.643 ( -2.100 3.513 3.046) 5.102 4.695 ( 0.855 -1.076 -1.406) 1.966 4.839 ( 0.275 -3.416 2.660) 4.338 4.867 ( -0.148 -0.074 0.972) 0.986 4.911 ( -0.581 2.240 -2.616) 3.493 4.996 ( -0.532 2.633 -5.973) 6.549 5.048 ( -2.166 -1.750 -1.979) 3.416 5.067 ( -1.813 -2.273 -2.420) 3.782 5.231 ( -0.331 -1.318 1.211) 1.820 5.308 ( -0.485 -2.963 -2.954) 4.212 5.503 ( 0.401 -1.961 2.612) 3.291 5.550 ( -0.806 -1.992 0.027) 2.149 5.904 ( 3.039 -4.490 4.607) 7.115 5.974 ( 1.431 -5.158 0.124) 5.354 6.065 ( -0.358 -4.361 -2.586) 5.082 6.113 ( -2.929 -4.171 -2.464) 5.661 6.500 ( 7.000 -0.101 3.052) 7.637 6.629 ( 3.191 3.689 -0.732) 4.932 6.705 ( -1.684 3.450 -2.022) 4.339 6.786 ( -4.277 -0.849 -4.434) 6.219 6.888 ( -1.431 -3.050 0.321) 3.384 6.925 ( -0.246 -0.909 -3.613) 3.734 7.156 ( 1.742 0.926 -1.362) 2.398 7.190 ( -3.775 -0.117 -1.109) 3.936 7.469 ( 0.497 -2.146 2.456) 3.300 7.519 ( 1.165 -0.982 -1.794) 2.354 7.668 ( -1.466 0.610 2.974) 3.371 7.711 ( 1.911 0.801 0.132) 2.077 7.793 ( 2.896 1.320 2.540) 4.072 7.945 ( -0.577 -0.958 0.834) 1.396 8.005 ( -1.637 -4.849 1.524) 5.340 8.133 ( 0.903 0.385 0.065) 0.984 8.264 ( -0.365 4.112 2.937) 5.066 8.330 ( 3.189 -2.684 -2.094) 4.665 8.542 ( 4.421 -0.928 1.057) 4.640 8.806 ( -9.505 -3.277 -4.727) 11.110 9.418 ( 10.343 3.130 2.120) 11.013 9.626 ( 1.263 -2.555 0.551) 2.903 9.697 ( -8.526 -6.030 4.133) 11.231 9.751 ( -3.605 -4.140 -6.188) 8.272 10.392 ( 2.166 1.616 2.893) 3.959 10.636 ( 0.273 -0.566 -2.739) 2.810 10.707 ( 2.450 3.007 -1.897) 4.318 10.872 ( -2.849 0.679 -0.280) 2.942 11.340 ( -0.904 0.223 2.697) 2.854 11.417 ( -2.387 -1.810 1.417) 3.314 12.045 ( 3.871 2.403 2.535) 5.214 12.093 ( 2.903 2.866 1.176) 4.245 12.226 ( 1.361 3.550 3.642) 5.265 12.415 ( -1.004 3.492 -4.268) 5.605 12.484 ( 2.749 0.931 6.362) 6.993 12.660 ( -0.393 1.196 -1.509) 1.965 13.100 ( 4.642 3.514 1.013) 5.910 13.281 ( -1.311 -0.500 -2.187) 2.599 13.551 ( -3.584 1.172 -2.135) 4.334 13.595 ( -7.680 2.882 -3.916) 9.090 14.127 ( 3.799 -1.408 0.883) 4.146 14.227 ( -0.539 -1.743 -0.345) 1.857 14.488 ( -0.855 -3.420 1.568) 3.858 14.589 ( -2.734 -5.478 0.312) 6.130 14.923 ( 7.366 0.893 -0.757) 7.458 15.072 ( -10.130 3.907 -1.012) 10.904 15.179 ( 4.146 -3.869 2.502) 6.198 15.336 ( -5.032 -0.700 -1.039) 5.186 16.377 ( -1.221 -0.342 2.989) 3.247 16.514 ( -0.649 -3.157 -6.664) 7.402 16.698 ( -1.041 0.532 5.284) 5.412 16.831 ( 1.845 -1.789 -5.660) 6.216 17.527 ( 2.713 2.170 4.650) 5.805 17.651 ( 0.180 -1.566 0.707) 1.727 18.301 ( -1.350 4.039 -0.765) 4.327 18.350 ( -1.825 1.924 -1.882) 3.252 ======================= Grid point 179 (92/108) ======================= q-point: (-0.43 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -3.736 10.823 11.332) 16.109 1.288 ( -2.982 8.852 7.465) 11.957 1.563 ( 3.662 8.400 -0.810) 9.199 1.735 ( 2.613 2.390 -15.016) 15.428 1.891 ( -3.247 8.621 2.021) 9.431 1.995 ( 0.711 8.339 -4.829) 9.662 2.131 ( -0.622 2.499 3.097) 4.027 2.189 ( 0.368 -1.078 -2.504) 2.751 2.343 ( -4.097 6.342 1.549) 7.708 2.440 ( 1.608 6.801 -1.745) 7.203 2.625 ( -3.207 -1.338 0.565) 3.521 2.641 ( -1.358 -1.868 2.651) 3.516 2.849 ( -4.782 7.031 3.938) 9.371 2.895 ( 0.761 -1.997 1.943) 2.888 2.964 ( 2.114 -4.469 -1.409) 5.141 3.054 ( 4.495 -0.038 -6.463) 7.873 3.168 ( -6.305 0.204 7.051) 9.462 3.317 ( -0.611 -2.389 -4.753) 5.355 3.531 ( -2.945 0.488 3.433) 4.550 3.666 ( 10.053 -2.840 -1.647) 10.576 3.853 ( -9.123 -6.691 2.434) 11.573 4.047 ( 7.832 -1.543 -1.283) 8.085 4.262 ( -2.515 -11.232 1.277) 11.581 4.380 ( 5.641 -12.089 -1.365) 13.410 4.654 ( 2.218 -3.298 2.203) 4.544 4.720 ( 2.555 5.431 -4.025) 7.226 4.830 ( -3.738 -2.479 1.724) 4.805 4.849 ( -1.186 -1.014 3.716) 4.031 4.930 ( 1.739 1.596 -1.454) 2.772 4.954 ( 0.851 2.217 -4.510) 5.097 5.018 ( 1.204 -1.834 0.021) 2.194 5.060 ( 2.438 -2.129 -2.064) 3.838 5.236 ( -1.172 -2.183 2.365) 3.425 5.277 ( -0.978 -1.750 -1.775) 2.677 5.489 ( -2.823 -1.673 2.546) 4.154 5.579 ( 3.376 -2.472 -1.158) 4.342 5.939 ( -3.053 -3.630 2.571) 5.395 5.956 ( -2.654 -5.704 1.419) 6.449 6.065 ( 1.343 -4.679 -1.958) 5.247 6.106 ( 4.638 -4.683 -3.004) 7.243 6.556 ( -7.036 3.008 -1.653) 7.829 6.622 ( -5.042 2.107 3.176) 6.321 6.659 ( 2.096 1.963 -1.931) 3.461 6.733 ( 2.609 -1.952 0.214) 3.265 6.874 ( 0.095 -0.760 0.802) 1.109 6.922 ( 0.935 -2.826 -2.439) 3.849 7.116 ( -1.098 0.220 0.749) 1.347 7.232 ( 5.606 0.988 -3.870) 6.883 7.441 ( -4.088 -1.884 3.363) 5.619 7.541 ( 0.316 -1.114 -2.387) 2.653 7.667 ( 0.176 0.971 3.621) 3.753 7.751 ( 2.775 -0.854 -3.060) 4.219 7.837 ( -2.908 2.534 1.054) 3.998 7.904 ( 2.504 4.293 -0.909) 5.053 8.059 ( 1.041 -4.753 5.134) 7.074 8.094 ( -1.544 -5.545 -2.438) 6.252 8.245 ( -5.097 3.193 3.422) 6.920 8.359 ( 1.596 1.036 -3.405) 3.901 8.598 ( -5.818 -1.389 -1.184) 6.098 8.719 ( 8.687 -3.866 0.778) 9.540 9.480 ( -11.323 -0.045 -3.545) 11.865 9.583 ( -1.633 -3.766 3.912) 5.670 9.626 ( 4.554 -2.292 4.455) 6.770 9.794 ( 7.424 -5.156 -3.436) 9.669 10.456 ( 0.928 3.235 5.016) 6.040 10.560 ( -0.285 3.528 -9.271) 9.924 10.789 ( -0.095 -0.696 1.103) 1.307 10.811 ( 0.368 0.049 -0.621) 0.724 11.358 ( -0.310 -0.919 5.739) 5.821 11.381 ( -2.093 -2.038 0.740) 3.013 12.087 ( -0.611 3.106 -1.095) 3.349 12.125 ( 1.686 1.573 -2.508) 3.407 12.279 ( -0.129 4.309 5.129) 6.700 12.372 ( 1.305 4.466 -5.540) 7.235 12.570 ( 1.413 1.239 5.843) 6.138 12.617 ( -1.768 0.354 -4.252) 4.619 13.161 ( -5.644 3.383 -2.074) 6.899 13.220 ( 2.742 1.344 1.236) 3.295 13.466 ( -2.453 2.592 3.240) 4.820 13.582 ( 5.324 -0.196 -1.664) 5.582 14.152 ( -4.785 -0.255 -1.088) 4.914 14.203 ( 2.131 -1.216 1.276) 2.766 14.457 ( -4.188 -3.287 4.235) 6.803 14.630 ( 6.895 -4.843 -3.559) 9.146 14.904 ( -7.390 0.504 0.976) 7.472 15.071 ( 8.516 4.137 -0.706) 9.494 15.245 ( -1.724 -6.544 -1.386) 6.908 15.302 ( 5.943 -0.364 0.663) 5.991 16.388 ( -0.246 -0.577 4.249) 4.295 16.465 ( -0.094 -2.281 -5.074) 5.564 16.710 ( -1.636 0.265 5.266) 5.520 16.821 ( 1.108 -1.464 -5.629) 5.921 17.588 ( -0.861 1.878 2.842) 3.513 17.640 ( 1.008 0.038 -1.696) 1.974 18.297 ( 0.103 2.539 1.032) 2.743 18.325 ( 1.148 2.667 -1.337) 3.196 ======================= Grid point 180 (93/108) ======================= q-point: (-0.29 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -0.039 13.117 4.970) 14.027 1.380 ( 1.525 6.688 21.169) 22.252 1.603 ( 0.760 6.833 -1.406) 7.017 1.711 ( 3.167 2.518 -9.198) 10.049 1.781 ( -3.073 9.411 -5.148) 11.158 2.021 ( 0.094 5.171 0.525) 5.199 2.069 ( -5.433 2.806 0.758) 6.162 2.173 ( -1.029 4.097 -2.970) 5.164 2.358 ( 0.545 6.648 4.887) 8.269 2.463 ( 1.173 0.468 6.611) 6.730 2.501 ( -4.636 -2.301 -3.015) 5.990 2.651 ( -1.043 3.633 -1.713) 4.150 2.769 ( -6.072 9.934 2.230) 11.855 2.876 ( -2.086 -3.534 -1.694) 4.439 3.018 ( -1.918 -6.342 1.425) 6.777 3.032 ( -1.158 -6.131 -1.751) 6.481 3.127 ( -0.385 0.729 1.373) 1.602 3.276 ( 1.957 -2.273 -5.064) 5.885 3.523 ( -1.725 1.056 3.671) 4.191 3.685 ( -7.809 -6.578 0.202) 10.212 3.865 ( 11.189 -0.475 -3.061) 11.610 4.182 ( 6.468 -1.172 -2.526) 7.042 4.251 ( 1.781 -4.221 0.878) 4.665 4.410 ( 0.168 -8.172 -4.130) 9.158 4.690 ( -2.471 3.726 -0.176) 4.474 4.744 ( 4.935 -6.599 0.231) 8.244 4.822 ( 0.756 -2.868 -0.200) 2.973 4.877 ( 1.311 -1.553 -0.031) 2.033 4.912 ( 1.530 -0.795 1.797) 2.490 4.961 ( -0.249 -0.985 -0.882) 1.345 5.069 ( 3.156 -0.099 0.005) 3.157 5.116 ( 2.426 -1.452 -0.477) 2.867 5.231 ( 0.220 -1.070 1.588) 1.928 5.276 ( 1.844 -2.517 2.909) 4.266 5.449 ( -3.034 -3.061 0.794) 4.382 5.623 ( 1.811 -3.697 -1.214) 4.292 5.873 ( -4.209 -2.949 0.365) 5.152 5.915 ( -1.876 -5.110 -0.650) 5.482 6.097 ( 2.198 -2.904 0.197) 3.647 6.174 ( 3.948 -2.827 -1.397) 5.053 6.396 ( -7.701 0.265 -2.283) 8.036 6.512 ( -5.519 2.002 1.508) 6.061 6.697 ( -0.217 2.573 0.591) 2.649 6.780 ( 0.553 0.152 2.384) 2.452 6.906 ( 1.798 -0.806 0.508) 2.035 6.922 ( 0.622 -3.838 1.001) 4.015 7.141 ( 3.173 2.040 -0.890) 3.875 7.305 ( 3.714 -0.032 -1.634) 4.058 7.390 ( -2.723 -1.371 1.540) 3.416 7.515 ( -1.073 0.587 0.749) 1.434 7.671 ( -3.333 0.834 -0.666) 3.500 7.756 ( 0.652 3.199 -3.571) 4.838 7.784 ( -0.178 -2.453 -1.650) 2.961 7.971 ( -0.084 1.833 -0.535) 1.911 8.015 ( -1.718 -2.146 0.560) 2.805 8.090 ( -2.901 -0.147 1.113) 3.110 8.197 ( -0.271 -1.426 4.919) 5.129 8.352 ( -0.018 -1.953 -3.692) 4.176 8.507 ( -1.552 1.441 -1.850) 2.813 8.918 ( 9.742 -3.884 4.084) 11.255 9.257 ( -10.853 1.975 -2.573) 11.328 9.522 ( -4.483 -6.320 2.900) 8.274 9.787 ( 6.616 -0.885 5.357) 8.559 9.909 ( 7.312 -6.160 -3.268) 10.104 10.423 ( -2.292 3.680 -5.735) 7.189 10.591 ( 3.350 2.995 4.919) 6.662 10.690 ( -4.373 0.086 -7.576) 8.748 10.886 ( 2.597 -2.058 4.116) 5.284 11.346 ( -1.921 -1.227 1.029) 2.501 11.411 ( 0.964 -1.538 6.897) 7.132 12.022 ( -3.542 3.628 -5.295) 7.331 12.121 ( 0.129 1.263 -4.533) 4.708 12.254 ( -2.113 3.403 -2.368) 4.654 12.390 ( 0.653 2.189 -1.079) 2.526 12.543 ( -0.869 1.813 -5.456) 5.814 12.617 ( -0.904 2.710 3.422) 4.458 13.050 ( -3.027 3.625 -1.384) 4.921 13.231 ( -2.671 -1.854 1.929) 3.781 13.560 ( 6.837 2.559 7.682) 10.598 13.702 ( 6.965 0.612 2.522) 7.433 14.064 ( -3.739 -0.020 -0.592) 3.785 14.195 ( -3.421 -2.591 -0.019) 4.291 14.458 ( 1.312 -0.617 3.457) 3.749 14.700 ( 1.293 -0.682 -0.673) 1.609 14.839 ( 0.756 -5.690 -0.815) 5.798 15.160 ( -1.097 -6.281 -2.032) 6.692 15.257 ( 8.001 2.357 -2.175) 8.620 15.441 ( 7.691 3.239 0.859) 8.390 16.413 ( -0.143 -1.426 3.857) 4.115 16.458 ( 1.543 -2.395 -1.084) 3.049 16.706 ( -2.439 0.122 5.066) 5.624 16.802 ( 0.955 -1.188 -5.517) 5.724 17.532 ( -3.166 2.363 -2.874) 4.885 17.665 ( 0.636 -1.534 -0.744) 1.819 18.313 ( 1.521 3.238 1.017) 3.720 18.372 ( 3.044 2.331 1.343) 4.063 ======================= Grid point 181 (94/108) ======================= q-point: (-0.14 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.193 12.731 6.121) 14.127 1.540 ( 2.341 6.018 0.774) 6.504 1.580 ( -0.845 3.448 10.409) 10.998 1.696 ( 0.587 7.189 -3.610) 8.066 1.786 ( 3.413 5.044 -0.379) 6.102 1.937 ( -7.970 2.908 3.215) 9.072 2.007 ( -1.081 5.160 -1.234) 5.414 2.191 ( 3.312 7.884 -3.108) 9.098 2.362 ( -2.386 5.386 7.475) 9.517 2.419 ( -0.339 -2.430 -3.998) 4.691 2.587 ( 0.109 4.922 4.133) 6.428 2.609 ( 1.343 3.392 3.253) 4.888 2.686 ( -3.051 6.915 0.815) 7.602 2.826 ( -3.405 -5.615 0.105) 6.568 2.907 ( -2.908 -9.725 -4.235) 10.998 3.019 ( -3.230 -5.234 -2.584) 6.671 3.144 ( 1.100 -1.057 2.137) 2.626 3.290 ( 1.556 -3.768 -5.350) 6.726 3.494 ( -3.734 -0.917 3.518) 5.211 3.590 ( -2.454 0.584 -2.415) 3.492 4.012 ( 8.437 -2.805 -5.040) 10.220 4.251 ( 3.763 -1.445 -2.575) 4.783 4.322 ( 2.630 4.340 1.713) 5.356 4.349 ( -2.121 -6.404 -5.782) 8.884 4.681 ( -0.389 0.251 4.397) 4.421 4.792 ( 1.860 0.234 -3.160) 3.675 4.839 ( 0.892 -7.269 1.758) 7.531 4.877 ( 1.141 0.212 -0.535) 1.278 4.933 ( -2.134 -3.308 2.300) 4.559 5.017 ( 3.731 -5.149 -0.065) 6.359 5.078 ( -1.220 1.429 0.391) 1.919 5.153 ( 3.137 -2.956 1.458) 4.550 5.261 ( 1.571 -0.612 0.324) 1.717 5.355 ( -0.545 -0.753 0.848) 1.258 5.418 ( 2.807 -6.960 2.723) 7.984 5.622 ( -0.837 -6.868 -1.141) 7.012 5.814 ( -1.950 -2.203 -0.714) 3.028 5.875 ( -1.991 -3.090 -1.998) 4.184 6.141 ( 1.900 -0.102 1.619) 2.499 6.214 ( 0.865 -0.200 0.050) 0.889 6.298 ( -1.357 -0.644 -0.235) 1.521 6.444 ( -3.249 0.133 -0.151) 3.255 6.685 ( -0.339 3.818 0.135) 3.835 6.766 ( -3.424 2.106 1.684) 4.358 6.922 ( 1.976 -2.834 -1.750) 3.873 6.959 ( 0.290 -3.355 2.245) 4.047 7.200 ( 4.082 2.656 -1.090) 4.991 7.298 ( -3.702 1.456 2.455) 4.675 7.411 ( 3.779 1.364 -1.432) 4.265 7.509 ( -1.597 -0.538 1.583) 2.312 7.594 ( -3.164 0.622 1.379) 3.507 7.739 ( 0.649 2.615 -4.010) 4.831 7.777 ( 0.253 -2.096 -1.208) 2.433 7.881 ( -4.713 -3.062 -3.380) 6.559 7.968 ( -4.230 4.210 1.444) 6.140 8.107 ( 0.561 -2.362 -2.291) 3.338 8.243 ( 1.518 -1.278 4.544) 4.958 8.318 ( 0.428 -4.952 -3.013) 5.813 8.541 ( 4.359 3.869 3.411) 6.753 9.008 ( -6.305 5.046 -3.507) 8.804 9.155 ( 4.958 -3.770 4.795) 7.861 9.465 ( -3.554 -6.126 0.939) 7.144 9.909 ( 2.294 -1.950 6.450) 7.118 10.006 ( 6.080 -6.447 -3.698) 9.602 10.356 ( -1.032 1.971 -4.672) 5.175 10.548 ( -4.979 0.446 -8.444) 9.813 10.697 ( 3.408 1.121 7.419) 8.241 10.944 ( 1.100 -2.403 2.678) 3.762 11.325 ( -1.396 0.621 2.255) 2.724 11.472 ( 1.199 -1.425 4.463) 4.836 11.919 ( -3.462 3.638 -4.917) 7.028 12.067 ( -1.598 1.393 -7.637) 7.925 12.214 ( -0.178 1.415 -2.190) 2.614 12.343 ( -3.143 -0.243 -4.019) 5.108 12.526 ( 0.987 3.923 -1.702) 4.389 12.598 ( -2.027 4.461 0.726) 4.953 13.047 ( 2.015 1.746 1.415) 3.019 13.185 ( -3.273 -2.098 1.129) 4.048 13.734 ( 6.609 0.837 5.926) 8.916 13.831 ( 3.698 1.938 4.679) 6.271 14.021 ( -1.116 -0.604 0.894) 1.552 14.123 ( -3.369 -2.721 -1.094) 4.467 14.515 ( 1.897 0.146 4.502) 4.888 14.699 ( -0.609 -0.844 1.234) 1.614 14.882 ( 3.736 -6.836 -2.118) 8.073 15.088 ( -3.136 -12.202 -6.258) 14.067 15.404 ( 7.009 8.341 2.353) 11.147 15.560 ( 4.955 5.652 -1.026) 7.586 16.434 ( -0.578 -2.053 4.089) 4.612 16.488 ( 2.001 -3.570 -0.581) 4.133 16.691 ( -2.823 0.283 5.099) 5.835 16.789 ( 1.636 -1.154 -5.266) 5.634 17.473 ( -1.247 1.634 -1.648) 2.634 17.636 ( -1.981 -3.129 -3.971) 5.430 18.363 ( 2.270 3.784 2.666) 5.156 18.429 ( 2.179 2.279 0.919) 3.285 ======================= Grid point 182 (95/108) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -0.675 5.654 3.608) 6.741 1.583 ( -1.019 1.679 -1.760) 2.637 1.733 ( 5.295 6.134 -0.031) 8.104 1.778 ( -5.443 7.287 -4.019) 9.944 1.918 ( -0.290 3.780 2.475) 4.527 1.994 ( 3.762 3.575 -0.510) 5.214 2.084 ( -1.392 -1.089 7.350) 7.560 2.250 ( 1.981 -6.513 -5.313) 8.635 2.383 ( -0.497 -0.475 2.205) 2.310 2.424 ( -1.358 4.334 0.827) 4.617 2.538 ( 1.483 -0.704 6.194) 6.408 2.652 ( -1.251 -3.449 2.383) 4.375 2.735 ( 3.451 -5.612 -1.978) 6.879 2.799 ( -0.349 -3.607 -0.422) 3.648 2.907 ( -2.241 14.328 5.416) 15.481 2.976 ( -0.662 9.703 0.893) 9.766 3.160 ( 0.870 -0.386 -0.904) 1.312 3.189 ( -0.017 -0.216 -4.557) 4.562 3.432 ( -1.587 -2.105 -0.879) 2.779 3.493 ( -0.111 -7.726 -5.977) 9.769 4.015 ( -1.582 -1.234 0.919) 2.207 4.091 ( -1.618 -4.469 -5.792) 7.492 4.417 ( -2.921 6.146 4.662) 8.249 4.514 ( 4.935 7.377 -3.277) 9.461 4.680 ( -2.674 -1.443 5.489) 6.273 4.734 ( 1.070 -3.686 1.491) 4.118 4.770 ( -4.656 -6.298 0.716) 7.865 4.816 ( 5.392 -2.950 -4.023) 7.346 4.946 ( 3.391 2.061 0.617) 4.016 4.979 ( -2.396 1.865 -2.170) 3.732 5.093 ( 1.093 -2.636 2.298) 3.664 5.147 ( 1.414 -3.101 -0.088) 3.409 5.221 ( -1.807 -4.357 -0.878) 4.798 5.242 ( -0.268 -2.084 -1.828) 2.785 5.446 ( 2.649 -3.835 0.890) 4.745 5.453 ( -0.384 -3.787 0.208) 3.812 5.771 ( -1.216 -0.372 0.982) 1.607 5.786 ( -1.810 -1.236 -0.393) 2.227 6.210 ( 0.885 1.533 0.945) 2.007 6.235 ( 0.861 0.552 -1.383) 1.720 6.320 ( 1.337 0.276 2.885) 3.191 6.370 ( -0.124 -1.586 -1.420) 2.133 6.764 ( -1.463 2.059 1.201) 2.797 6.786 ( 2.680 2.938 -0.493) 4.007 6.892 ( -0.699 -1.501 -0.598) 1.760 6.902 ( 1.886 -2.519 -1.919) 3.686 7.274 ( -4.303 1.855 2.233) 5.190 7.304 ( 3.043 1.077 -0.367) 3.248 7.453 ( -0.921 -1.489 1.227) 2.138 7.494 ( 1.400 -1.678 -1.103) 2.448 7.623 ( 2.271 1.912 1.375) 3.272 7.711 ( -1.570 -1.404 -5.340) 5.741 7.741 ( -0.817 -0.895 1.116) 1.647 7.765 ( 0.891 -0.592 -0.639) 1.246 7.942 ( -5.358 -0.533 2.004) 5.745 8.014 ( 0.358 -4.295 -4.345) 6.120 8.215 ( -0.116 -0.210 1.946) 1.961 8.248 ( 1.027 -2.508 -1.189) 2.960 8.854 ( 4.951 9.688 7.434) 13.177 8.988 ( -4.288 7.581 -4.427) 9.769 9.224 ( 7.741 -5.503 3.759) 10.215 9.264 ( -6.013 -7.006 0.362) 9.240 9.892 ( -2.149 -1.476 2.806) 3.830 9.961 ( 3.496 -4.936 -3.207) 6.846 10.349 ( 0.216 0.881 -3.598) 3.710 10.401 ( -2.901 -1.315 -7.727) 8.358 10.828 ( 1.134 1.851 8.589) 8.859 10.910 ( -0.844 -2.048 2.845) 3.606 11.385 ( 0.325 2.844 5.448) 6.154 11.477 ( 0.372 -1.265 0.592) 1.445 11.919 ( -0.594 2.802 -2.616) 3.879 11.994 ( -1.369 -0.334 -7.691) 7.819 12.221 ( 0.766 -0.037 -1.289) 1.500 12.246 ( -1.824 -1.096 -3.677) 4.248 12.612 ( -1.103 3.687 1.960) 4.319 12.651 ( 0.465 2.318 -0.976) 2.558 13.105 ( 0.104 0.132 0.973) 0.988 13.128 ( 0.812 -0.440 -0.824) 1.237 13.865 ( 2.624 0.234 4.309) 5.051 13.884 ( -0.867 -0.265 2.419) 2.583 14.032 ( 1.025 0.511 0.570) 1.279 14.043 ( -1.486 -0.487 -0.190) 1.575 14.581 ( 0.231 0.894 4.034) 4.138 14.682 ( -0.586 -0.297 -3.027) 3.097 14.767 ( -4.585 -6.834 0.128) 8.231 14.808 ( 3.792 -6.045 -2.521) 7.568 15.682 ( 1.278 7.439 2.906) 8.088 15.724 ( -0.327 5.533 -0.718) 5.589 16.410 ( -0.939 -0.426 1.993) 2.244 16.455 ( 2.020 -2.636 -1.665) 3.715 16.692 ( -1.181 1.159 2.385) 2.903 16.761 ( 1.739 -1.974 -3.621) 4.475 17.478 ( 0.019 0.464 -0.216) 0.512 17.515 ( -2.367 -1.535 -3.459) 4.464 18.468 ( 0.576 2.255 2.116) 3.145 18.492 ( 0.357 1.217 0.047) 1.269 ======================= Grid point 183 (96/108) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -0.748 3.886 3.732) 5.439 1.573 ( 0.556 3.080 -0.462) 3.164 1.662 ( -2.708 8.834 -3.234) 9.789 1.840 ( 3.553 8.091 0.599) 8.856 1.912 ( -1.534 0.776 0.502) 1.791 2.050 ( 6.673 0.421 -5.170) 8.452 2.130 ( 0.958 -1.814 7.921) 8.183 2.268 ( 2.740 -3.395 -8.491) 9.546 2.313 ( -3.634 5.470 -0.014) 6.567 2.499 ( 4.987 -0.233 5.218) 7.222 2.589 ( -0.964 -2.432 2.199) 3.418 2.625 ( -2.528 -3.991 -0.135) 4.726 2.770 ( 5.184 0.433 -5.825) 7.810 2.823 ( 1.815 3.717 3.005) 5.113 2.933 ( 0.341 7.764 2.519) 8.170 3.003 ( 1.957 5.175 5.489) 7.794 3.148 ( -0.882 -2.900 -1.316) 3.304 3.172 ( 0.790 4.066 -3.756) 5.591 3.425 ( 0.344 -3.433 2.386) 4.195 3.490 ( 3.686 -8.552 -3.309) 9.882 3.897 ( -9.529 0.150 1.899) 9.717 4.064 ( -2.169 -6.960 0.658) 7.320 4.317 ( -9.428 3.243 1.224) 10.045 4.496 ( -6.560 2.698 -0.446) 7.107 4.658 ( -1.830 -2.395 0.801) 3.119 4.712 ( -0.738 -0.196 1.189) 1.413 4.765 ( 1.184 -2.145 0.996) 2.645 4.894 ( 4.295 -3.604 -1.551) 5.818 4.917 ( -1.585 2.692 -2.154) 3.794 5.000 ( 1.254 -0.436 -1.339) 1.886 5.098 ( 0.453 -0.821 -0.674) 1.155 5.135 ( -0.895 -2.332 -2.158) 3.301 5.219 ( 1.306 -0.683 0.943) 1.749 5.299 ( 3.645 -5.384 0.490) 6.520 5.401 ( -2.756 -1.492 -2.383) 3.937 5.490 ( 1.700 -4.900 -0.118) 5.188 5.746 ( -1.876 -0.127 2.579) 3.191 5.793 ( 1.078 -2.470 1.997) 3.355 6.186 ( -2.950 1.391 -1.790) 3.720 6.228 ( -1.263 -0.110 -1.091) 1.672 6.324 ( 0.207 1.665 -0.555) 1.767 6.442 ( 6.563 -2.647 -0.664) 7.107 6.772 ( 1.907 2.500 -0.289) 3.158 6.835 ( 2.641 1.303 -1.619) 3.360 6.846 ( -0.914 0.993 -1.198) 1.805 6.939 ( 1.306 -4.150 -1.633) 4.647 7.219 ( -3.075 3.065 2.346) 4.935 7.344 ( 0.639 -2.158 0.712) 2.360 7.416 ( -2.487 1.450 -0.935) 3.027 7.525 ( 2.088 -2.614 -1.042) 3.504 7.645 ( -1.218 -0.021 -2.783) 3.038 7.670 ( 0.900 1.087 2.191) 2.606 7.742 ( -1.268 -0.494 -0.152) 1.369 7.777 ( 1.528 -1.896 -1.044) 2.649 7.917 ( 0.758 -1.235 6.832) 6.984 8.041 ( 3.141 -4.549 0.290) 5.535 8.201 ( -0.844 1.100 0.253) 1.410 8.281 ( 2.638 -1.443 -1.349) 3.296 8.780 ( -8.361 8.533 -2.359) 12.177 9.051 ( 0.506 2.596 1.645) 3.114 9.159 ( 1.117 -1.306 -1.430) 2.236 9.388 ( 7.534 -5.607 1.497) 9.511 9.824 ( -6.552 -0.507 1.527) 6.747 9.949 ( -2.257 -5.055 -4.276) 6.995 10.342 ( 0.286 -0.014 -2.312) 2.330 10.385 ( 3.768 -1.552 2.033) 4.554 10.887 ( -0.554 0.668 3.700) 3.800 10.897 ( -0.670 0.409 0.819) 1.134 11.414 ( -1.231 2.122 3.693) 4.434 11.458 ( -0.785 0.202 -2.973) 3.081 11.941 ( 2.288 1.148 1.723) 3.086 11.955 ( 1.901 0.591 -2.232) 2.990 12.211 ( 0.191 0.549 -1.082) 1.228 12.260 ( 3.142 -1.597 0.838) 3.623 12.591 ( -2.165 3.924 1.558) 4.744 12.663 ( 0.902 1.294 -0.064) 1.579 13.096 ( -0.044 1.430 -0.668) 1.579 13.169 ( 3.259 -1.535 -0.899) 3.713 13.834 ( -4.970 1.561 -1.067) 5.317 13.891 ( -1.968 -1.116 0.895) 2.433 14.027 ( 0.264 0.671 -0.137) 0.733 14.066 ( 2.229 -0.604 1.000) 2.517 14.585 ( -3.318 -1.322 1.571) 3.902 14.622 ( -3.448 -3.118 0.932) 4.741 14.744 ( 1.482 -0.582 0.649) 1.719 14.866 ( 4.533 -6.658 -1.742) 8.241 15.617 ( -8.683 6.606 -0.970) 10.953 15.664 ( -6.120 4.885 0.202) 7.834 16.403 ( -0.987 0.317 1.187) 1.576 16.479 ( 2.027 -3.271 -2.878) 4.805 16.693 ( -0.537 1.360 2.392) 2.803 16.773 ( 2.123 -2.306 -3.804) 4.929 17.474 ( -0.401 0.325 -0.332) 0.614 17.506 ( 1.864 -1.216 2.824) 3.596 18.468 ( -1.484 1.917 0.086) 2.425 18.478 ( -1.366 1.813 -0.787) 2.403 ======================= Grid point 184 (97/108) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -4.032 6.138 1.930) 7.593 1.591 ( 0.825 5.441 -0.581) 5.534 1.654 ( 1.975 8.323 -0.398) 8.563 1.829 ( -3.440 7.187 2.082) 8.236 1.924 ( 3.123 -1.312 -1.469) 3.693 2.144 ( 0.542 4.209 -7.187) 8.347 2.196 ( 3.810 2.579 0.117) 4.603 2.224 ( 2.434 -4.109 0.377) 4.790 2.325 ( 4.538 4.110 -1.526) 6.310 2.512 ( -5.354 -2.430 -2.766) 6.498 2.587 ( 0.229 -0.263 0.786) 0.860 2.657 ( 6.339 -4.250 2.956) 8.184 2.816 ( -1.602 9.155 1.739) 9.455 2.887 ( 6.779 -1.109 -3.392) 7.661 2.962 ( 1.243 2.456 -0.569) 2.810 3.078 ( 1.122 0.533 7.973) 8.069 3.125 ( 0.415 4.691 -3.454) 5.840 3.176 ( 2.050 -1.171 -1.704) 2.911 3.455 ( 0.039 -2.371 4.068) 4.709 3.578 ( 7.670 -9.044 -2.263) 12.073 3.757 ( -8.143 0.064 5.334) 9.735 3.993 ( -6.883 -8.461 3.025) 11.319 4.151 ( -8.146 -2.218 1.342) 8.549 4.297 ( -13.883 -6.300 0.856) 15.269 4.665 ( 3.042 3.252 -2.311) 5.017 4.731 ( 0.544 2.312 3.658) 4.362 4.785 ( -0.060 -0.743 1.210) 1.421 4.870 ( -1.031 -0.042 -1.263) 1.631 4.957 ( 1.341 0.463 -0.941) 1.703 5.001 ( 2.848 -3.701 -5.473) 7.194 5.090 ( -1.555 1.696 -0.670) 2.397 5.121 ( 0.338 1.418 -2.464) 2.863 5.217 ( -2.085 -2.208 -1.141) 3.245 5.272 ( -2.844 -4.439 -2.353) 5.773 5.415 ( 3.559 -0.488 -0.231) 3.600 5.523 ( 0.875 -3.804 1.106) 4.057 5.756 ( 0.789 -1.039 4.693) 4.871 5.833 ( 2.038 -4.005 1.735) 4.817 6.103 ( -4.387 0.511 -2.798) 5.228 6.152 ( -5.107 -1.371 -2.525) 5.860 6.376 ( 5.364 1.791 0.646) 5.691 6.545 ( 5.387 -4.092 -1.429) 6.914 6.792 ( -0.032 2.981 -2.243) 3.731 6.833 ( 1.845 0.451 -1.689) 2.542 6.871 ( -0.038 0.882 -2.612) 2.757 6.932 ( 1.205 -3.335 -2.983) 4.634 7.191 ( -1.623 3.153 1.180) 3.737 7.302 ( -5.538 -0.876 0.215) 5.611 7.392 ( 1.342 1.016 -1.021) 1.969 7.540 ( 0.014 -1.012 -0.997) 1.421 7.640 ( 0.994 -0.353 1.016) 1.465 7.703 ( 0.345 1.081 3.510) 3.689 7.730 ( 1.481 -1.085 1.327) 2.265 7.809 ( 1.291 -4.363 1.372) 4.752 7.987 ( 0.660 -1.018 4.363) 4.528 8.094 ( 1.333 -5.228 1.426) 5.581 8.227 ( 4.261 3.839 0.610) 5.768 8.321 ( 2.660 1.042 -0.931) 3.004 8.631 ( -5.596 7.213 -2.827) 9.557 8.922 ( -8.744 -5.475 -2.948) 10.730 9.304 ( 9.579 4.811 0.592) 10.735 9.511 ( 6.205 -4.267 -1.506) 7.680 9.700 ( -8.030 -0.966 1.907) 8.310 9.837 ( -6.500 -4.924 -4.900) 9.513 10.369 ( 2.247 2.003 2.629) 3.996 10.489 ( 4.476 -3.065 5.570) 7.775 10.845 ( -1.333 3.089 -5.329) 6.302 10.907 ( -1.231 -0.213 1.932) 2.301 11.382 ( -2.144 1.480 -1.003) 2.791 11.429 ( -2.108 -0.635 0.422) 2.242 11.997 ( 4.155 1.781 1.446) 4.747 12.038 ( 4.266 0.303 3.766) 5.698 12.236 ( 2.091 2.493 1.968) 3.803 12.340 ( 4.199 -2.259 2.876) 5.568 12.559 ( -2.179 4.133 0.462) 4.695 12.672 ( -0.207 -0.537 0.265) 0.634 13.109 ( 2.270 3.119 -0.970) 3.978 13.222 ( 3.387 -2.280 -1.271) 4.276 13.709 ( -6.834 2.377 -3.200) 7.912 13.796 ( -7.449 -1.166 -3.056) 8.135 14.058 ( 2.865 1.263 0.797) 3.231 14.132 ( 4.131 -1.642 1.486) 4.687 14.506 ( -4.519 -0.651 -0.694) 4.618 14.569 ( -5.418 -3.566 4.840) 8.093 14.813 ( 6.187 1.033 -0.894) 6.336 14.954 ( 5.976 -6.329 -0.047) 8.705 15.407 ( -12.615 5.769 -2.286) 14.058 15.506 ( -10.604 1.451 -0.711) 10.726 16.391 ( -0.929 0.876 0.646) 1.431 16.482 ( 0.744 -3.478 -4.149) 5.464 16.702 ( -0.209 1.397 2.487) 2.860 16.784 ( 1.850 -2.476 -3.829) 4.920 17.499 ( 1.955 1.854 3.060) 4.077 17.568 ( 2.259 -1.837 4.039) 4.979 18.423 ( -2.349 2.568 -2.116) 4.074 18.439 ( -2.384 1.776 -0.938) 3.117 ======================= Grid point 185 (98/108) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -2.870 9.322 3.760) 10.453 1.567 ( -3.067 10.916 0.380) 11.345 1.695 ( 2.732 9.211 -0.267) 9.611 1.806 ( -0.347 -0.170 -0.094) 0.397 1.984 ( 3.084 1.044 1.216) 3.475 2.075 ( 0.758 4.122 -7.857) 8.905 2.170 ( -3.813 1.796 -1.527) 4.483 2.304 ( -1.412 -2.101 -6.359) 6.844 2.372 ( 2.568 0.170 5.192) 5.795 2.502 ( 6.032 -0.723 -1.169) 6.187 2.612 ( 1.752 1.893 1.528) 2.998 2.714 ( -3.746 6.773 0.393) 7.750 2.795 ( 0.543 1.825 0.871) 2.094 2.918 ( -1.858 -5.573 -5.015) 7.724 2.975 ( 1.602 3.104 2.733) 4.435 3.111 ( 0.990 5.053 -3.563) 6.262 3.167 ( 1.558 1.404 6.061) 6.413 3.228 ( 4.236 -4.457 -0.350) 6.159 3.482 ( 1.430 -0.476 2.921) 3.287 3.624 ( -6.794 -4.535 0.296) 8.174 3.747 ( 9.123 -4.443 -0.186) 10.149 3.884 ( -7.492 -9.667 2.788) 12.544 4.074 ( -2.552 -7.765 3.397) 8.852 4.096 ( -6.353 -8.386 1.972) 10.704 4.716 ( 1.988 1.837 -0.276) 2.721 4.745 ( -1.829 5.501 1.197) 5.919 4.797 ( 1.984 -0.476 3.863) 4.369 4.877 ( 2.257 0.631 -0.324) 2.366 4.941 ( -1.905 0.759 -1.322) 2.439 5.003 ( 0.160 -2.508 -5.923) 6.434 5.045 ( -2.196 1.511 -2.572) 3.704 5.076 ( -1.089 2.983 -4.034) 5.134 5.191 ( 0.171 -2.734 0.500) 2.785 5.239 ( 0.083 -3.828 -2.761) 4.721 5.466 ( 1.462 -0.985 1.577) 2.366 5.517 ( -1.504 -1.753 0.376) 2.340 5.830 ( 2.785 -2.532 5.772) 6.891 5.882 ( 1.036 -4.204 2.566) 5.033 6.013 ( -1.969 -1.168 -4.177) 4.763 6.046 ( -3.822 -2.616 -3.853) 6.024 6.504 ( 6.966 0.862 3.285) 7.750 6.619 ( 3.498 -3.809 0.317) 5.181 6.746 ( -2.961 0.625 -3.555) 4.669 6.773 ( -5.782 -0.633 -5.859) 8.256 6.874 ( 2.083 2.396 -0.284) 3.188 6.938 ( 0.280 1.180 -3.412) 3.621 7.173 ( -2.039 1.281 1.170) 2.677 7.219 ( -0.629 1.034 -2.192) 2.504 7.434 ( 2.289 -0.651 1.189) 2.660 7.510 ( -1.787 -1.108 -1.381) 2.515 7.657 ( -0.054 -0.057 2.547) 2.548 7.724 ( -0.526 0.037 -0.114) 0.540 7.811 ( 4.638 0.304 4.371) 6.380 7.863 ( 3.086 -4.040 6.024) 7.883 7.980 ( -2.159 0.453 -0.722) 2.321 8.085 ( -2.235 -4.405 -2.164) 5.393 8.338 ( 5.076 2.936 0.587) 5.893 8.356 ( 1.207 3.485 1.351) 3.927 8.571 ( 0.391 3.451 0.175) 3.478 8.748 ( -7.542 -3.440 -3.939) 9.177 9.468 ( 8.000 2.009 0.440) 8.260 9.578 ( -7.284 -3.228 4.156) 8.986 9.593 ( 3.760 -2.418 -3.145) 5.465 9.676 ( -5.823 -3.883 -5.851) 9.122 10.445 ( 2.788 3.622 5.938) 7.494 10.597 ( 3.002 -3.107 5.054) 6.649 10.782 ( -0.911 3.988 -6.485) 7.668 10.876 ( -2.029 -0.483 -2.358) 3.148 11.348 ( -1.676 0.572 1.474) 2.304 11.386 ( -2.884 -1.384 0.947) 3.336 12.088 ( 3.895 1.947 2.057) 4.816 12.124 ( 3.046 0.470 0.868) 3.202 12.302 ( 2.506 4.023 4.836) 6.771 12.430 ( 2.979 -1.739 1.761) 3.873 12.528 ( -0.823 3.557 0.926) 3.767 12.653 ( -1.558 -1.809 -1.377) 2.756 13.168 ( 4.144 3.342 0.846) 5.390 13.263 ( 1.384 -1.367 -1.394) 2.393 13.579 ( -4.351 1.591 -3.057) 5.550 13.624 ( -7.829 0.108 -3.947) 8.769 14.133 ( 4.163 1.759 1.785) 4.859 14.205 ( 1.477 -0.939 0.807) 1.928 14.440 ( -2.207 -1.300 1.429) 2.933 14.497 ( -4.077 -3.842 1.634) 5.836 14.950 ( 9.530 1.902 -0.798) 9.751 15.073 ( 5.006 -3.914 1.358) 6.497 15.173 ( -9.466 3.551 -2.036) 10.313 15.306 ( -10.150 -2.432 -1.739) 10.581 16.382 ( -0.547 0.847 0.886) 1.342 16.455 ( -0.357 -2.763 -4.386) 5.196 16.714 ( -0.375 1.149 2.583) 2.852 16.789 ( 1.389 -2.398 -3.716) 4.636 17.567 ( 2.484 1.910 4.252) 5.282 17.624 ( 1.143 -1.223 2.523) 3.028 18.373 ( -1.558 2.974 -1.483) 3.670 18.390 ( -1.662 1.821 -1.721) 3.007 ======================= Grid point 186 (99/108) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -0.533 11.211 9.752) 14.868 1.518 ( -2.037 12.884 0.409) 13.051 1.745 ( 2.782 8.868 -0.069) 9.294 1.783 ( -0.143 1.151 -5.619) 5.737 2.000 ( -2.365 -1.727 -0.949) 3.079 2.067 ( -3.462 5.024 -6.220) 8.713 2.107 ( 1.987 -3.785 5.859) 7.253 2.239 ( 1.297 5.315 -3.228) 6.352 2.448 ( -0.361 -1.680 4.566) 4.879 2.500 ( -4.157 -6.183 -5.339) 9.166 2.587 ( -9.191 7.942 2.093) 12.326 2.681 ( 3.429 6.919 2.649) 8.164 2.837 ( 3.442 -3.560 0.606) 4.989 2.869 ( 0.365 -3.892 -4.668) 6.089 3.015 ( -0.686 6.713 3.570) 7.634 3.073 ( -3.267 1.524 -3.636) 5.121 3.169 ( -3.058 0.728 3.927) 5.030 3.272 ( 0.063 -2.474 -2.478) 3.503 3.500 ( -3.514 -3.755 4.354) 6.739 3.582 ( 1.267 -6.132 0.600) 6.290 3.755 ( 0.274 -0.847 0.584) 1.064 3.968 ( 12.316 -6.174 -3.579) 14.234 4.079 ( 2.056 -6.708 2.246) 7.367 4.126 ( 5.874 -11.433 0.535) 12.864 4.662 ( -4.982 3.085 2.541) 6.388 4.772 ( -0.009 -1.471 1.418) 2.043 4.849 ( -2.098 0.833 1.831) 2.907 4.869 ( -0.455 6.000 -2.049) 6.356 4.936 ( 0.901 -0.913 -0.142) 1.291 4.951 ( 0.994 -2.038 -3.055) 3.804 5.035 ( 2.439 2.620 -1.432) 3.856 5.060 ( 2.586 1.838 -4.095) 5.181 5.191 ( -1.219 -2.434 0.963) 2.888 5.223 ( -0.340 -3.545 -1.685) 3.940 5.461 ( -2.884 -0.705 1.860) 3.504 5.526 ( 2.071 -2.904 -0.206) 3.573 5.861 ( -4.130 -2.951 3.342) 6.078 5.879 ( -2.474 -3.052 4.158) 5.720 6.000 ( 3.045 -1.748 -3.429) 4.907 6.034 ( 6.028 -2.777 -4.078) 7.790 6.574 ( -7.558 0.173 -0.675) 7.590 6.638 ( -5.865 -1.872 -1.596) 6.360 6.679 ( 4.296 0.492 0.607) 4.367 6.690 ( 3.427 -1.526 0.751) 3.826 6.875 ( -1.832 1.811 -0.105) 2.578 6.917 ( -0.440 1.072 -1.645) 2.012 7.159 ( 1.031 3.174 1.103) 3.515 7.249 ( 4.687 -0.127 -3.924) 6.114 7.418 ( -4.425 0.078 2.251) 4.965 7.518 ( 2.630 -1.812 -1.724) 3.629 7.682 ( 0.499 0.657 2.340) 2.481 7.712 ( 0.922 -1.911 -1.011) 2.350 7.864 ( -4.258 0.412 1.429) 4.510 7.945 ( 2.320 -2.369 1.761) 3.754 7.974 ( 0.518 -1.376 0.648) 1.607 8.018 ( 1.090 -1.330 -1.703) 2.420 8.325 ( -4.552 4.167 1.879) 6.451 8.387 ( -1.117 1.103 -1.629) 2.263 8.608 ( -1.594 1.712 -0.451) 2.382 8.674 ( 5.964 -1.390 0.303) 6.131 9.464 ( -9.095 -1.334 -0.014) 9.192 9.485 ( -6.377 -3.768 5.623) 9.299 9.626 ( 7.621 0.264 -1.126) 7.708 9.700 ( 7.182 -4.183 -5.655) 10.053 10.533 ( 1.657 4.340 6.778) 8.217 10.620 ( -0.217 1.904 -5.558) 5.879 10.770 ( 1.206 -0.680 2.655) 2.995 10.807 ( -2.546 -0.779 -5.460) 6.074 11.343 ( -1.389 -0.581 4.167) 4.431 11.350 ( -1.784 -1.058 2.916) 3.579 12.135 ( 0.237 1.774 -1.513) 2.344 12.150 ( 0.960 0.868 -2.086) 2.455 12.363 ( -0.385 4.067 4.244) 5.891 12.433 ( 0.088 1.673 -4.008) 4.344 12.577 ( 2.695 -0.197 4.799) 5.508 12.605 ( -1.423 -1.216 -3.796) 4.233 13.214 ( -3.516 2.041 -1.398) 4.299 13.239 ( -0.272 0.619 -0.281) 0.732 13.514 ( -0.696 2.163 1.837) 2.922 13.572 ( 3.760 -0.877 0.160) 3.864 14.166 ( -4.229 1.328 -0.887) 4.521 14.198 ( 0.262 0.239 1.256) 1.305 14.418 ( -0.982 -0.453 3.153) 3.333 14.528 ( 6.505 -5.056 -0.970) 8.296 14.937 ( -9.969 2.724 0.172) 10.336 15.118 ( -6.130 -6.200 -1.613) 8.866 15.151 ( 10.269 3.859 -0.367) 10.976 15.277 ( 10.494 -2.186 0.297) 10.724 16.385 ( -0.160 0.222 1.787) 1.807 16.425 ( -0.081 -1.767 -3.049) 3.525 16.720 ( -0.880 0.874 2.491) 2.783 16.785 ( 0.847 -2.087 -3.708) 4.339 17.617 ( -0.430 1.113 1.714) 2.088 17.638 ( 0.438 -0.185 -0.069) 0.480 18.354 ( -0.150 2.765 0.328) 2.788 18.374 ( 1.124 1.940 -0.822) 2.388 ======================= Grid point 187 (100/108) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -0.063 11.162 1.343) 11.243 1.545 ( 1.379 9.022 9.616) 13.258 1.728 ( -1.728 4.113 -5.143) 6.809 1.798 ( 2.179 7.071 2.677) 7.869 1.931 ( -3.640 0.138 -0.579) 3.689 1.989 ( -0.144 3.733 -3.589) 5.180 2.154 ( -3.501 -3.212 3.747) 6.051 2.291 ( 3.719 9.642 -0.632) 10.354 2.364 ( -4.872 -7.914 -2.680) 9.672 2.428 ( -0.910 1.540 1.084) 2.092 2.473 ( -6.247 1.807 6.191) 8.979 2.738 ( 0.903 -3.497 0.802) 3.700 2.825 ( -4.696 -3.060 -0.821) 5.665 2.862 ( -3.628 -7.365 -2.597) 8.611 2.951 ( -0.516 6.860 0.674) 6.912 3.028 ( -2.652 11.325 1.482) 11.726 3.152 ( -1.551 1.751 1.209) 2.633 3.237 ( 0.464 -2.336 -5.008) 5.545 3.484 ( -2.376 -4.649 4.856) 7.130 3.560 ( -0.707 -6.788 -0.220) 6.828 3.884 ( 9.409 3.052 -4.381) 10.819 4.096 ( 8.047 -4.039 -4.899) 10.250 4.185 ( 5.897 -5.730 -0.639) 8.247 4.286 ( 10.690 -5.681 0.769) 12.130 4.615 ( -1.123 -0.344 1.972) 2.295 4.733 ( -4.030 -0.796 3.033) 5.106 4.801 ( -2.077 -0.601 0.630) 2.252 4.888 ( -2.408 -4.495 -1.079) 5.212 4.900 ( 2.389 4.160 -1.834) 5.135 4.965 ( -0.176 2.202 -1.251) 2.539 5.093 ( 3.051 1.675 -1.091) 3.648 5.107 ( 1.196 0.536 -0.621) 1.450 5.192 ( 2.470 -2.612 1.571) 3.923 5.223 ( 2.267 -3.027 0.965) 3.903 5.407 ( -4.351 -0.514 0.832) 4.459 5.534 ( -1.738 -5.200 -0.065) 5.483 5.828 ( -1.451 -1.768 1.025) 2.506 5.837 ( -2.040 -2.377 0.470) 3.168 6.073 ( 5.097 0.217 -0.283) 5.109 6.127 ( 5.929 -1.966 -1.818) 6.506 6.403 ( -8.111 0.860 -1.708) 8.334 6.514 ( -6.805 -2.535 0.878) 7.315 6.738 ( 1.370 1.932 2.328) 3.321 6.785 ( 2.496 0.382 2.652) 3.662 6.851 ( -0.325 -1.487 -1.364) 2.044 6.892 ( -0.434 -1.609 0.636) 1.784 7.207 ( 3.155 3.782 -0.477) 4.948 7.326 ( 6.241 0.231 -2.353) 6.674 7.359 ( -3.337 0.992 2.124) 4.078 7.530 ( -0.748 -0.109 -0.122) 0.766 7.670 ( -2.940 -0.517 -1.301) 3.256 7.732 ( 0.139 -2.352 -0.195) 2.364 7.787 ( -1.195 0.230 -2.008) 2.348 7.883 ( -3.287 -6.432 -4.281) 8.397 8.027 ( 3.172 0.644 0.560) 3.285 8.082 ( 0.784 -0.697 2.227) 2.462 8.225 ( -5.958 3.968 0.885) 7.213 8.331 ( -3.249 -0.984 -1.062) 3.557 8.596 ( 2.082 6.541 -0.634) 6.893 8.837 ( 8.719 -4.711 4.042) 10.703 9.302 ( -8.760 2.512 0.260) 9.116 9.420 ( -5.129 -4.094 5.275) 8.419 9.755 ( 6.640 -1.921 0.817) 6.960 9.797 ( 6.978 -4.747 -4.142) 9.401 10.508 ( -2.699 4.695 -7.459) 9.218 10.628 ( 0.863 0.048 -0.888) 1.239 10.710 ( -2.795 2.251 -1.597) 3.928 10.835 ( 1.234 -3.134 6.120) 6.985 11.335 ( -1.308 0.145 3.824) 4.044 11.380 ( 0.473 -1.645 6.511) 6.733 12.082 ( -2.637 2.612 -5.747) 6.841 12.135 ( -0.564 0.090 -4.336) 4.374 12.320 ( -3.228 3.211 -3.249) 5.593 12.404 ( -2.316 -0.608 -2.724) 3.627 12.580 ( 1.393 2.125 -2.777) 3.764 12.643 ( 1.384 -0.030 3.017) 3.319 13.120 ( -3.548 3.314 -1.935) 5.226 13.203 ( -3.233 -1.282 0.430) 3.505 13.604 ( 5.798 2.220 6.194) 8.769 13.691 ( 6.532 -1.590 4.908) 8.324 14.082 ( -3.649 1.557 -1.211) 4.148 14.154 ( -4.164 -1.837 -0.267) 4.559 14.474 ( 3.754 2.364 2.479) 5.082 14.644 ( 6.646 -5.064 -1.980) 8.587 14.791 ( -6.441 1.217 0.922) 6.619 14.986 ( -5.877 -8.261 -2.433) 10.426 15.367 ( 11.945 5.770 0.900) 13.296 15.484 ( 11.205 0.549 1.048) 11.267 16.395 ( -0.017 -0.399 1.783) 1.827 16.420 ( 0.716 -1.575 -0.545) 1.814 16.715 ( -1.386 0.823 2.338) 2.840 16.773 ( 0.520 -1.738 -3.681) 4.104 17.574 ( -2.722 1.972 -2.779) 4.361 17.636 ( -0.873 -1.389 -1.656) 2.331 18.375 ( 1.731 2.887 1.793) 3.814 18.412 ( 2.587 1.380 1.013) 3.102 ======================= Grid point 188 (101/108) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -0.979 8.276 2.976) 8.849 1.608 ( 1.090 1.398 0.594) 1.869 1.670 ( -0.038 6.795 -2.659) 7.297 1.877 ( -1.759 8.851 1.542) 9.155 1.880 ( 2.349 3.170 4.379) 5.894 1.978 ( -3.425 3.918 -0.582) 5.236 2.068 ( -2.236 -0.316 3.033) 3.781 2.283 ( -1.415 -8.267 -5.076) 9.804 2.337 ( 2.325 7.485 -0.843) 7.883 2.438 ( -2.486 3.075 7.865) 8.803 2.505 ( 2.129 -4.842 7.373) 9.074 2.667 ( -6.213 -7.432 -0.376) 9.695 2.728 ( -0.505 -5.853 -4.155) 7.196 2.819 ( -2.475 -1.762 2.653) 4.033 2.957 ( -2.082 12.687 -2.136) 13.033 2.980 ( -2.062 10.095 3.887) 11.012 3.145 ( 0.600 0.908 0.085) 1.091 3.218 ( 0.789 -2.918 -5.783) 6.525 3.470 ( -1.915 -2.378 1.066) 3.234 3.539 ( -0.713 -6.464 -3.940) 7.603 3.975 ( 5.304 0.584 -4.771) 7.158 4.159 ( 1.047 -7.167 -7.133) 10.165 4.323 ( 9.741 3.609 1.050) 10.441 4.436 ( 4.004 5.875 2.863) 7.665 4.657 ( 2.923 -4.059 2.370) 5.535 4.710 ( -0.744 -3.375 3.225) 4.728 4.775 ( 0.318 -2.275 -2.356) 3.290 4.841 ( -3.524 -5.174 1.969) 6.563 4.913 ( 0.645 2.973 -1.272) 3.297 4.979 ( 2.458 0.782 -0.252) 2.592 5.086 ( -1.683 -1.172 -0.046) 2.051 5.115 ( 1.365 -0.870 -0.798) 1.805 5.248 ( 1.539 -0.564 -0.527) 1.721 5.298 ( -2.567 -4.042 1.071) 4.907 5.351 ( 3.335 -0.467 1.985) 3.909 5.481 ( -3.009 -6.904 0.253) 7.535 5.794 ( -1.364 -0.070 -1.237) 1.843 5.824 ( -1.209 -1.759 -0.416) 2.175 6.159 ( 4.117 1.507 0.230) 4.390 6.206 ( 3.004 -0.744 0.188) 3.101 6.302 ( -2.417 1.223 1.351) 3.027 6.420 ( -4.461 -2.884 1.183) 5.442 6.757 ( 0.257 3.465 1.049) 3.630 6.797 ( -2.554 1.263 1.894) 3.421 6.848 ( 2.722 -2.578 -2.010) 4.254 6.918 ( 0.680 -2.948 0.473) 3.062 7.255 ( 2.822 3.018 -0.853) 4.219 7.323 ( -2.701 0.714 2.460) 3.722 7.423 ( 4.691 1.007 -1.609) 5.060 7.501 ( -1.846 -0.242 0.521) 1.934 7.598 ( -2.259 0.352 1.178) 2.572 7.743 ( 1.448 -3.198 -0.911) 3.627 7.762 ( -0.356 -0.025 -3.855) 3.871 7.798 ( -3.742 -3.770 -3.220) 6.211 8.027 ( -3.888 -0.003 -1.084) 4.036 8.065 ( -1.480 -1.952 -2.237) 3.318 8.181 ( 0.345 0.327 2.034) 2.089 8.272 ( -2.251 -1.657 -0.922) 2.944 8.689 ( 6.578 9.435 4.522) 12.359 9.019 ( 7.787 -5.385 4.041) 10.295 9.155 ( -6.907 4.703 -0.704) 8.386 9.358 ( -5.429 -4.958 3.567) 8.173 9.863 ( 3.298 -2.456 2.909) 5.037 9.889 ( 6.149 -4.886 -3.628) 8.652 10.409 ( -2.237 3.326 -7.680) 8.663 10.530 ( -4.290 -2.028 -10.028) 11.095 10.749 ( 1.194 3.510 8.828) 9.575 10.887 ( 0.175 -3.288 5.780) 6.652 11.349 ( -0.181 1.840 4.657) 5.011 11.438 ( 1.239 -2.097 5.562) 6.072 11.987 ( -2.917 3.340 -6.657) 7.999 12.076 ( -1.643 -0.603 -7.518) 7.719 12.246 ( -1.859 1.871 -3.572) 4.441 12.323 ( -3.393 -1.651 -4.411) 5.805 12.600 ( 1.442 3.541 -0.329) 3.838 12.660 ( -0.666 1.542 0.736) 1.833 13.085 ( 0.193 2.061 0.133) 2.074 13.153 ( -2.488 -1.403 0.468) 2.895 13.753 ( 5.583 1.364 6.370) 8.579 13.829 ( 3.967 -1.585 5.824) 7.223 14.031 ( -1.200 1.171 -0.557) 1.767 14.083 ( -2.978 -1.549 -0.587) 3.408 14.544 ( 2.082 2.933 1.908) 4.072 14.699 ( -0.610 0.498 -0.533) 0.951 14.753 ( 3.245 -5.871 -1.253) 6.825 14.871 ( -5.279 -8.720 -2.646) 10.532 15.568 ( 8.656 7.450 2.541) 11.700 15.661 ( 7.119 3.377 0.637) 7.905 16.407 ( -0.168 -0.668 2.094) 2.204 16.434 ( 1.072 -2.040 -0.338) 2.329 16.703 ( -1.572 0.945 2.327) 2.963 16.761 ( 0.900 -1.695 -3.584) 4.065 17.508 ( -2.082 1.921 -2.873) 4.035 17.586 ( -2.423 -2.185 -3.880) 5.069 18.427 ( 2.021 2.711 2.630) 4.283 18.464 ( 2.085 1.029 1.161) 2.599 ======================= Grid point 189 (102/108) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -0.513 -1.526 -0.308) 1.639 1.581 ( -0.513 1.526 -0.308) 1.639 1.873 ( 2.474 -3.707 -0.369) 4.472 1.873 ( 2.474 3.707 -0.369) 4.472 1.958 ( -3.192 -4.348 -0.648) 5.433 1.958 ( -3.192 4.348 -0.648) 5.432 2.103 ( 1.199 -5.754 0.715) 5.921 2.103 ( 1.199 5.754 0.715) 5.921 2.443 ( -1.434 -5.524 6.885) 8.943 2.443 ( -1.434 5.524 6.885) 8.943 2.574 ( 1.845 -7.412 -5.551) 9.442 2.574 ( 1.845 7.412 -5.551) 9.442 2.708 ( 2.113 -4.716 7.101) 8.783 2.708 ( 2.113 4.716 7.101) 8.783 3.090 ( -1.121 -2.631 -1.554) 3.255 3.090 ( -1.121 2.631 -1.554) 3.255 3.188 ( -1.833 -8.502 3.497) 9.374 3.188 ( -1.833 8.502 3.497) 9.374 3.378 ( 0.418 -2.471 -8.111) 8.489 3.378 ( 0.418 2.471 -8.111) 8.489 4.028 ( -1.384 -1.989 -2.204) 3.275 4.028 ( -1.384 1.989 -2.204) 3.275 4.555 ( -4.955 -6.765 6.489) 10.604 4.555 ( -4.955 6.765 6.490) 10.604 4.670 ( 4.271 -3.613 -0.644) 5.631 4.670 ( 4.271 3.613 -0.644) 5.631 4.736 ( 1.445 -3.272 -2.957) 4.641 4.736 ( 1.445 3.272 -2.957) 4.641 5.003 ( 1.323 -2.945 0.763) 3.317 5.003 ( 1.323 2.945 0.763) 3.317 5.068 ( 0.609 -3.861 -2.504) 4.642 5.068 ( 0.609 3.861 -2.504) 4.642 5.201 ( -2.154 -1.691 0.593) 2.802 5.201 ( -2.154 1.691 0.593) 2.802 5.410 ( 1.754 -0.682 -0.062) 1.883 5.410 ( 1.754 0.682 -0.062) 1.883 5.773 ( -1.833 -0.366 0.733) 2.008 5.773 ( -1.833 0.366 0.733) 2.008 6.234 ( 0.947 -0.764 0.208) 1.234 6.234 ( 0.947 0.764 0.208) 1.234 6.337 ( 0.647 -1.512 0.706) 1.790 6.337 ( 0.647 1.512 0.706) 1.790 6.801 ( 0.843 -1.551 -1.562) 2.357 6.801 ( 0.843 1.551 -1.562) 2.357 6.876 ( 0.751 -0.884 0.806) 1.413 6.876 ( 0.751 0.884 0.806) 1.413 7.307 ( -1.269 -1.132 1.232) 2.100 7.307 ( -1.269 1.132 1.232) 2.100 7.448 ( -0.110 -1.815 -1.036) 2.093 7.448 ( -0.110 1.815 -1.036) 2.093 7.665 ( 1.050 -2.483 -1.534) 3.101 7.665 ( 1.050 2.483 -1.534) 3.101 7.754 ( 0.679 -1.058 0.758) 1.468 7.754 ( 0.679 1.058 0.758) 1.468 7.942 ( -3.194 -1.838 -2.235) 4.310 7.943 ( -3.194 1.838 -2.235) 4.310 8.226 ( 0.496 -0.645 0.558) 0.987 8.226 ( 0.496 0.645 0.558) 0.987 9.039 ( 4.148 -8.053 5.613) 10.657 9.039 ( 4.149 8.053 5.613) 10.657 9.150 ( -3.196 -4.842 -1.580) 6.013 9.150 ( -3.196 4.842 -1.580) 6.013 9.894 ( 1.257 -1.780 -0.509) 2.238 9.894 ( 1.257 1.780 -0.509) 2.238 10.373 ( -1.670 -1.454 -6.247) 6.628 10.373 ( -1.670 1.454 -6.247) 6.628 10.869 ( -0.034 -2.177 6.612) 6.961 10.869 ( -0.034 2.177 6.612) 6.961 11.439 ( 0.660 -2.512 3.549) 4.398 11.439 ( 0.660 2.512 3.549) 4.398 11.969 ( -0.912 -2.112 -5.900) 6.333 11.969 ( -0.912 2.112 -5.900) 6.333 12.227 ( -0.732 -0.707 -2.620) 2.811 12.227 ( -0.732 0.707 -2.620) 2.811 12.662 ( -0.473 -1.152 0.878) 1.524 12.662 ( -0.473 1.152 0.878) 1.524 13.115 ( 0.510 -0.768 -0.378) 0.996 13.115 ( 0.510 0.768 -0.378) 0.997 13.873 ( 0.925 -0.605 3.446) 3.619 13.873 ( 0.925 0.605 3.446) 3.619 14.039 ( -0.035 -0.139 0.298) 0.331 14.039 ( -0.035 0.139 0.298) 0.331 14.627 ( -1.956 -3.850 -0.724) 4.379 14.627 ( -1.956 3.850 -0.724) 4.379 14.732 ( 1.191 -2.156 0.034) 2.463 14.732 ( 1.191 2.156 0.034) 2.463 15.770 ( 0.463 -1.141 1.456) 1.907 15.770 ( 0.463 1.141 1.456) 1.907 16.418 ( 0.612 -1.173 -0.094) 1.327 16.418 ( 0.612 1.173 -0.094) 1.327 16.722 ( 0.332 -1.867 -0.866) 2.085 16.722 ( 0.332 1.867 -0.866) 2.085 17.491 ( -1.268 -0.940 -1.903) 2.473 17.491 ( -1.268 0.940 -1.903) 2.473 18.497 ( 0.467 -0.643 1.063) 1.327 18.497 ( 0.467 0.643 1.063) 1.327 ======================= Grid point 191 (103/108) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.814 -1.424 0.494) 1.713 1.586 ( 0.814 1.424 0.494) 1.713 1.829 ( -2.560 -7.472 -2.047) 8.159 1.829 ( -2.560 7.472 -2.047) 8.159 2.005 ( 2.729 -5.115 2.873) 6.471 2.005 ( 2.729 5.115 2.874) 6.471 2.154 ( 5.817 -6.065 -2.255) 8.701 2.154 ( 5.817 6.065 -2.255) 8.701 2.445 ( -2.563 -7.019 4.197) 8.570 2.445 ( -2.563 7.019 4.197) 8.570 2.561 ( 0.926 -3.883 -3.769) 5.490 2.561 ( 0.926 3.883 -3.769) 5.490 2.807 ( 5.109 -2.013 -0.105) 5.492 2.807 ( 5.109 2.013 -0.105) 5.492 3.074 ( -0.204 -2.591 0.754) 2.707 3.074 ( -0.204 2.591 0.754) 2.707 3.182 ( -2.281 -10.080 5.481) 11.698 3.182 ( -2.282 10.080 5.481) 11.698 3.358 ( 2.908 -3.671 -4.887) 6.769 3.358 ( 2.908 3.671 -4.887) 6.769 3.954 ( -6.217 -4.491 1.124) 7.751 3.954 ( -6.217 4.491 1.124) 7.751 4.411 ( -12.826 -6.429 2.779) 14.614 4.411 ( -12.826 6.429 2.779) 14.614 4.719 ( 1.072 -1.968 1.573) 2.738 4.719 ( 1.072 1.968 1.573) 2.738 4.776 ( 4.101 -6.293 -3.511) 8.291 4.776 ( 4.101 6.293 -3.511) 8.291 4.977 ( -1.952 -2.606 -1.136) 3.449 4.977 ( -1.952 2.606 -1.136) 3.449 5.101 ( 3.220 -1.454 -2.680) 4.434 5.101 ( 3.220 1.454 -2.680) 4.434 5.223 ( 1.529 -1.939 2.224) 3.323 5.223 ( 1.529 1.939 2.224) 3.323 5.412 ( 0.414 -2.568 -2.002) 3.283 5.412 ( 0.414 2.568 -2.002) 3.283 5.759 ( -1.114 -1.167 2.991) 3.398 5.759 ( -1.114 1.167 2.991) 3.398 6.215 ( -2.634 -1.252 -1.600) 3.326 6.215 ( -2.634 1.252 -1.600) 3.326 6.374 ( 3.153 -3.429 -0.488) 4.684 6.374 ( 3.153 3.429 -0.488) 4.684 6.822 ( 2.825 -2.944 -2.105) 4.591 6.822 ( 2.825 2.944 -2.105) 4.591 6.880 ( -0.288 -1.756 -0.797) 1.950 6.880 ( -0.288 1.756 -0.797) 1.950 7.285 ( -1.998 -3.480 1.842) 4.416 7.285 ( -1.998 3.480 1.842) 4.416 7.464 ( 1.331 -3.326 -0.038) 3.582 7.464 ( 1.331 3.326 -0.038) 3.582 7.660 ( 0.043 -1.571 -1.427) 2.123 7.660 ( 0.043 1.571 -1.427) 2.123 7.748 ( -1.050 -1.661 -1.000) 2.205 7.748 ( -1.050 1.661 -1.000) 2.205 7.941 ( 1.928 -3.845 3.910) 5.813 7.941 ( 1.928 3.845 3.910) 5.813 8.250 ( 2.178 -2.302 -0.422) 3.197 8.250 ( 2.178 2.302 -0.422) 3.197 8.951 ( -8.672 -8.450 -1.651) 12.220 8.951 ( -8.672 8.450 -1.650) 12.220 9.258 ( 8.423 -7.196 1.879) 11.236 9.258 ( 8.423 7.196 1.879) 11.236 9.860 ( -3.850 -3.671 -2.429) 5.848 9.860 ( -3.851 3.671 -2.429) 5.848 10.355 ( 1.876 -1.251 0.182) 2.262 10.355 ( 1.876 1.251 0.182) 2.262 10.897 ( -0.372 -0.319 2.984) 3.024 10.897 ( -0.372 0.319 2.984) 3.024 11.448 ( -1.040 -1.237 -0.002) 1.616 11.448 ( -1.040 1.237 -0.002) 1.616 11.957 ( 2.171 -0.439 -0.725) 2.331 11.957 ( 2.171 0.439 -0.725) 2.331 12.229 ( 1.845 -1.369 0.162) 2.303 12.229 ( 1.845 1.369 0.162) 2.303 12.653 ( -1.204 -2.135 1.119) 2.695 12.653 ( -1.204 2.135 1.119) 2.695 13.132 ( 1.891 -2.089 -1.010) 2.993 13.132 ( 1.891 2.089 -1.010) 2.993 13.863 ( -3.280 -1.493 -0.174) 3.608 13.863 ( -3.280 1.493 -0.174) 3.608 14.050 ( 1.219 -1.178 0.201) 1.707 14.050 ( 1.219 1.178 0.201) 1.707 14.580 ( -3.709 -0.947 2.116) 4.374 14.580 ( -3.709 0.947 2.116) 4.373 14.772 ( 3.696 -3.102 -1.092) 4.948 14.772 ( 3.696 3.102 -1.092) 4.948 15.699 ( -8.409 -1.409 -0.237) 8.529 15.699 ( -8.409 1.409 -0.237) 8.529 16.426 ( 0.634 -2.024 -1.039) 2.362 16.426 ( 0.634 2.024 -1.039) 2.362 16.728 ( 0.836 -2.176 -0.896) 2.498 16.728 ( 0.836 2.176 -0.896) 2.498 17.486 ( 0.910 -0.837 1.368) 1.844 17.486 ( 0.910 0.837 1.368) 1.844 18.492 ( -1.261 -0.352 -0.356) 1.357 18.492 ( -1.261 0.352 -0.356) 1.357 ======================= Grid point 193 (104/108) ======================= q-point: ( 0.29 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 0.570 -3.579 1.309) 3.853 1.606 ( 0.570 3.579 1.309) 3.853 1.798 ( 0.045 -5.849 -1.573) 6.057 1.798 ( 0.045 5.849 -1.573) 6.057 2.044 ( -0.003 -8.892 3.889) 9.705 2.044 ( -0.003 8.892 3.889) 9.705 2.239 ( 4.288 -1.021 -7.694) 8.867 2.239 ( 4.288 1.021 -7.694) 8.867 2.420 ( -1.355 -5.465 2.652) 6.224 2.420 ( -1.355 5.465 2.652) 6.224 2.595 ( 5.211 -2.493 -0.054) 5.777 2.595 ( 5.211 2.493 -0.054) 5.777 2.864 ( 2.828 -2.689 -5.616) 6.839 2.864 ( 2.828 2.689 -5.616) 6.839 3.100 ( 1.708 -1.811 2.596) 3.597 3.100 ( 1.708 1.811 2.596) 3.597 3.158 ( -3.094 -7.134 3.118) 8.378 3.158 ( -3.094 7.135 3.118) 8.378 3.427 ( 5.482 -3.792 0.363) 6.675 3.427 ( 5.482 3.792 0.363) 6.675 3.839 ( -7.962 -6.764 4.342) 11.313 3.839 ( -7.962 6.764 4.342) 11.313 4.174 ( -13.611 -4.415 1.048) 14.347 4.174 ( -13.611 4.415 1.048) 14.347 4.741 ( 0.615 -1.615 0.782) 1.897 4.741 ( 0.615 1.615 0.782) 1.897 4.821 ( 2.700 -4.676 -0.995) 5.490 4.821 ( 2.700 4.676 -0.995) 5.490 4.958 ( 0.789 -0.654 -2.091) 2.329 4.958 ( 0.789 0.654 -2.091) 2.329 5.128 ( 1.228 -1.989 -1.527) 2.792 5.128 ( 1.228 1.989 -1.527) 2.792 5.203 ( -3.022 -2.313 -2.410) 4.505 5.203 ( -3.022 2.313 -2.410) 4.505 5.446 ( 3.139 -3.324 -0.006) 4.572 5.446 ( 3.139 3.324 -0.006) 4.572 5.771 ( 0.179 -2.193 4.033) 4.594 5.771 ( 0.179 2.193 4.033) 4.594 6.125 ( -5.306 -1.439 -3.066) 6.295 6.125 ( -5.306 1.439 -3.066) 6.295 6.443 ( 4.911 -4.997 -0.266) 7.011 6.443 ( 4.911 4.997 -0.266) 7.011 6.841 ( -1.619 -2.743 -2.291) 3.924 6.841 ( -1.619 2.743 -2.291) 3.924 6.882 ( 3.876 -2.264 -3.145) 5.481 6.882 ( 3.876 2.264 -3.145) 5.481 7.255 ( -2.863 -3.266 1.034) 4.465 7.255 ( -2.863 3.266 1.034) 4.465 7.466 ( -0.770 -5.261 -0.045) 5.318 7.466 ( -0.770 5.261 -0.045) 5.318 7.682 ( 3.374 -3.517 -0.168) 4.877 7.682 ( 3.374 3.517 -0.168) 4.877 7.737 ( -0.530 -2.590 2.270) 3.485 7.737 ( -0.530 2.590 2.270) 3.485 8.004 ( 1.254 -2.825 3.712) 4.830 8.004 ( 1.254 2.825 3.712) 4.830 8.304 ( 4.200 -2.782 -0.303) 5.047 8.304 ( 4.200 2.782 -0.303) 5.047 8.785 ( -7.710 -8.056 -2.565) 11.442 8.785 ( -7.710 8.056 -2.565) 11.442 9.406 ( 7.215 -5.624 0.084) 9.148 9.406 ( 7.215 5.624 0.084) 9.148 9.742 ( -6.681 -4.262 -3.177) 8.538 9.742 ( -6.681 4.262 -3.177) 8.538 10.424 ( 3.377 -3.357 4.949) 6.868 10.424 ( 3.377 3.357 4.949) 6.868 10.891 ( -0.937 -1.590 -1.410) 2.322 10.891 ( -0.937 1.590 -1.410) 2.322 11.410 ( -2.415 -1.291 -1.014) 2.920 11.410 ( -2.415 1.291 -1.014) 2.920 12.027 ( 4.360 -1.233 2.522) 5.185 12.027 ( 4.360 1.233 2.522) 5.185 12.289 ( 3.451 -2.848 2.847) 5.303 12.289 ( 3.451 2.848 2.847) 5.303 12.633 ( -1.739 -3.214 0.537) 3.694 12.633 ( -1.739 3.214 0.537) 3.694 13.170 ( 3.104 -3.045 -1.038) 4.470 13.170 ( 3.104 3.045 -1.038) 4.470 13.757 ( -6.805 -2.443 -3.287) 7.942 13.757 ( -6.805 2.443 -3.287) 7.942 14.096 ( 3.524 -2.126 0.993) 4.234 14.096 ( 3.524 2.127 0.993) 4.234 14.517 ( -5.064 -1.723 2.633) 5.962 14.517 ( -5.064 1.723 2.633) 5.962 14.857 ( 6.676 -3.552 -0.799) 7.604 14.857 ( 6.676 3.552 -0.799) 7.604 15.493 ( -13.064 -2.755 -1.603) 13.447 15.493 ( -13.064 2.755 -1.603) 13.447 16.424 ( 0.063 -2.405 -1.754) 2.977 16.424 ( 0.063 2.405 -1.754) 2.977 16.738 ( 0.815 -2.180 -0.804) 2.463 16.738 ( 0.815 2.180 -0.804) 2.463 17.534 ( 2.288 -1.765 3.693) 4.690 17.534 ( 2.288 1.765 3.693) 4.690 18.453 ( -2.157 -0.436 -1.522) 2.676 18.453 ( -2.157 0.436 -1.522) 2.676 ======================= Grid point 195 (105/108) ======================= q-point: ( 0.43 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.420 -6.639 2.388) 7.068 1.625 ( 0.420 6.639 2.388) 7.068 1.794 ( 0.129 -2.416 -0.896) 2.580 1.794 ( 0.129 2.416 -0.896) 2.580 2.057 ( -2.475 -7.260 3.922) 8.614 2.057 ( -2.475 7.260 3.922) 8.614 2.217 ( 2.367 -5.365 -9.093) 10.819 2.217 ( 2.367 5.364 -9.093) 10.819 2.422 ( -0.977 -4.022 1.007) 4.260 2.422 ( -0.977 4.022 1.007) 4.260 2.730 ( 7.176 -5.574 0.883) 9.129 2.730 ( 7.176 5.574 0.883) 9.129 2.845 ( -0.980 -1.748 -3.227) 3.798 2.845 ( -0.980 1.748 -3.227) 3.798 3.082 ( -3.587 -7.635 1.115) 8.509 3.082 ( -3.587 7.635 1.115) 8.509 3.184 ( 1.981 -1.725 2.725) 3.785 3.184 ( 1.981 1.725 2.725) 3.785 3.519 ( 3.662 -4.744 -1.215) 6.115 3.519 ( 3.662 4.744 -1.215) 6.115 3.739 ( -4.976 -4.134 4.185) 7.705 3.739 ( -4.976 4.134 4.185) 7.705 4.004 ( -4.885 -0.946 2.058) 5.384 4.004 ( -4.885 0.946 2.058) 5.384 4.750 ( -0.965 -1.703 2.151) 2.909 4.750 ( -0.965 1.703 2.151) 2.909 4.869 ( 3.093 -2.923 0.382) 4.273 4.869 ( 3.093 2.923 0.382) 4.273 4.952 ( -0.396 -1.681 -2.991) 3.453 4.952 ( -0.396 1.681 -2.991) 3.453 5.093 ( -2.234 -2.343 -3.167) 4.529 5.093 ( -2.234 2.344 -3.167) 4.529 5.173 ( 1.140 -2.338 -2.119) 3.355 5.173 ( 1.140 2.338 -2.119) 3.355 5.478 ( 0.142 -1.889 0.473) 1.952 5.478 ( 0.142 1.889 0.473) 1.952 5.821 ( 1.602 -1.629 5.040) 5.534 5.821 ( 1.602 1.629 5.040) 5.534 6.012 ( -3.559 -0.902 -4.530) 5.831 6.012 ( -3.559 0.902 -4.530) 5.831 6.543 ( 5.411 -3.186 1.992) 6.588 6.543 ( 5.411 3.186 1.992) 6.588 6.757 ( -4.797 -0.838 -4.829) 6.858 6.757 ( -4.797 0.838 -4.829) 6.858 6.932 ( 2.401 -2.169 -2.086) 3.850 6.932 ( 2.401 2.169 -2.086) 3.850 7.205 ( -1.783 -1.816 -0.323) 2.566 7.205 ( -1.783 1.816 -0.323) 2.566 7.460 ( 0.105 -2.944 0.048) 2.946 7.460 ( 0.105 2.944 0.048) 2.946 7.695 ( -1.150 -2.853 0.323) 3.093 7.695 ( -1.150 2.853 0.323) 3.093 7.817 ( 5.180 -0.938 5.375) 7.524 7.817 ( 5.180 0.938 5.375) 7.524 8.010 ( -1.813 -2.770 -0.324) 3.326 8.010 ( -1.813 2.770 -0.324) 3.326 8.382 ( 3.355 -0.881 0.356) 3.487 8.382 ( 3.355 0.881 0.356) 3.487 8.661 ( -4.076 -5.185 -1.372) 6.736 8.661 ( -4.076 5.185 -1.372) 6.736 9.510 ( 2.630 -2.704 1.076) 3.923 9.510 ( 2.630 2.704 1.076) 3.923 9.609 ( -3.637 -2.628 -4.423) 6.301 9.609 ( -3.637 2.628 -4.423) 6.301 10.524 ( 3.140 -4.171 6.803) 8.576 10.524 ( 3.140 4.171 6.803) 8.576 10.847 ( -1.527 -2.492 -4.993) 5.786 10.847 ( -1.527 2.492 -4.993) 5.786 11.363 ( -2.552 -0.989 0.952) 2.898 11.363 ( -2.552 0.989 0.952) 2.898 12.118 ( 3.579 -1.015 1.430) 3.985 12.118 ( 3.579 1.015 1.430) 3.985 12.376 ( 3.204 -3.457 4.235) 6.337 12.376 ( 3.204 3.457 4.235) 6.337 12.599 ( -1.677 -3.458 -0.898) 3.947 12.599 ( -1.677 3.458 -0.898) 3.947 13.226 ( 3.050 -2.474 -0.131) 3.929 13.226 ( 3.050 2.474 -0.131) 3.929 13.609 ( -6.076 -1.339 -3.589) 7.182 13.609 ( -6.076 1.339 -3.589) 7.182 14.176 ( 3.630 -2.122 1.468) 4.454 14.176 ( 3.630 2.122 1.468) 4.454 14.443 ( -4.011 -1.602 1.686) 4.636 14.443 ( -4.011 1.602 1.686) 4.636 15.000 ( 9.204 -3.198 0.005) 9.744 15.000 ( 9.204 3.198 0.005) 9.744 15.246 ( -12.216 -3.577 -2.066) 12.895 15.246 ( -12.216 3.577 -2.066) 12.895 16.409 ( -0.301 -1.925 -1.636) 2.545 16.409 ( -0.301 1.925 -1.636) 2.545 16.745 ( 0.520 -1.987 -0.728) 2.179 16.745 ( 0.520 1.987 -0.728) 2.179 17.599 ( 1.875 -1.388 3.500) 4.206 17.599 ( 1.875 1.388 3.500) 4.206 18.407 ( -1.519 -0.369 -1.617) 2.249 18.407 ( -1.519 0.369 -1.617) 2.249 ======================= Grid point 197 (106/108) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.540 -5.108 2.026) 5.522 1.652 ( 0.540 5.108 2.026) 5.522 1.790 ( 0.058 -4.468 -0.429) 4.489 1.790 ( 0.058 4.468 -0.429) 4.489 2.008 ( -4.404 -5.784 4.563) 8.583 2.008 ( -4.404 5.784 4.563) 8.583 2.227 ( 3.199 -8.594 -8.837) 12.735 2.227 ( 3.199 8.594 -8.838) 12.735 2.400 ( -1.806 -2.861 3.220) 4.671 2.400 ( -1.806 2.861 3.220) 4.671 2.748 ( -5.456 -3.590 -1.554) 6.713 2.748 ( -5.456 3.590 -1.554) 6.713 2.815 ( -1.764 -5.373 -0.117) 5.656 2.815 ( -1.764 5.373 -0.117) 5.656 3.074 ( 2.348 -3.172 1.829) 4.349 3.074 ( 2.348 3.172 1.829) 4.349 3.215 ( 0.156 -3.045 0.069) 3.050 3.215 ( 0.156 3.045 0.069) 3.050 3.474 ( -5.814 -3.239 2.639) 7.159 3.474 ( -5.814 3.239 2.639) 7.159 3.825 ( 11.654 -7.033 -2.294) 13.803 3.825 ( 11.654 7.033 -2.294) 13.803 4.013 ( 3.529 -0.412 1.471) 3.845 4.013 ( 3.529 0.412 1.471) 3.845 4.728 ( -3.510 -3.029 3.652) 5.902 4.728 ( -3.510 3.029 3.652) 5.902 4.882 ( -2.812 -2.623 -2.864) 4.795 4.882 ( -2.812 2.623 -2.864) 4.795 4.944 ( 2.247 -0.976 0.969) 2.635 4.944 ( 2.247 0.976 0.969) 2.635 5.079 ( 3.643 -1.565 -3.843) 5.522 5.079 ( 3.643 1.565 -3.843) 5.522 5.165 ( -1.261 -1.245 -0.963) 2.017 5.165 ( -1.261 1.245 -0.963) 2.017 5.474 ( -0.840 -2.008 0.801) 2.320 5.474 ( -0.840 2.008 0.801) 2.320 5.839 ( -3.456 -0.697 4.507) 5.722 5.839 ( -3.456 0.697 4.507) 5.722 5.996 ( 5.415 -1.052 -4.167) 6.913 5.996 ( 5.415 1.052 -4.167) 6.913 6.591 ( -6.499 -1.912 -0.976) 6.844 6.591 ( -6.499 1.912 -0.976) 6.844 6.680 ( 4.164 -0.082 0.348) 4.179 6.680 ( 4.164 0.082 0.348) 4.179 6.918 ( -2.626 -1.436 -0.696) 3.073 6.918 ( -2.626 1.436 -0.696) 3.073 7.217 ( 3.347 -2.696 -1.402) 4.521 7.217 ( 3.347 2.696 -1.402) 4.521 7.459 ( -0.267 -3.550 -0.006) 3.560 7.459 ( -0.267 3.550 -0.006) 3.560 7.692 ( 0.527 -0.480 0.842) 1.104 7.692 ( 0.527 0.480 0.842) 1.104 7.881 ( -3.943 -1.969 1.499) 4.655 7.881 ( -3.943 1.969 1.499) 4.655 7.994 ( 3.597 -1.479 -0.579) 3.932 7.994 ( 3.597 1.479 -0.579) 3.932 8.385 ( -3.395 -1.646 0.140) 3.775 8.385 ( -3.395 1.646 0.140) 3.775 8.645 ( 2.544 -1.809 0.030) 3.122 8.645 ( 2.544 1.809 0.030) 3.122 9.448 ( -7.084 -0.298 3.731) 8.012 9.448 ( -7.084 0.298 3.731) 8.012 9.642 ( 6.840 -1.714 -4.784) 8.521 9.642 ( 6.840 1.714 -4.784) 8.521 10.609 ( 1.595 -2.894 4.246) 5.380 10.609 ( 1.595 2.894 4.246) 5.380 10.781 ( -1.688 -1.538 -4.732) 5.254 10.781 ( -1.688 1.538 -4.732) 5.254 11.338 ( -1.768 -0.182 3.754) 4.154 11.338 ( -1.768 0.182 3.754) 4.154 12.156 ( 0.674 -0.331 -1.847) 1.994 12.156 ( 0.674 0.331 -1.847) 1.994 12.428 ( -0.537 -2.208 1.274) 2.605 12.428 ( -0.537 2.208 1.274) 2.605 12.581 ( 1.088 -0.930 -0.620) 1.560 12.581 ( 1.088 0.930 -0.620) 1.560 13.240 ( -1.973 -0.594 -0.942) 2.265 13.240 ( -1.973 0.594 -0.942) 2.265 13.549 ( 1.505 -1.439 1.042) 2.328 13.549 ( 1.505 1.439 1.042) 2.328 14.192 ( -2.908 -1.051 0.145) 3.095 14.192 ( -2.908 1.051 0.145) 3.095 14.445 ( 3.640 -3.139 1.427) 5.014 14.445 ( 3.640 3.139 1.427) 5.014 15.009 ( -9.382 -4.719 -0.765) 10.530 15.009 ( -9.382 4.719 -0.765) 10.530 15.222 ( 11.972 -3.358 -0.199) 12.436 15.222 ( 11.972 3.358 -0.199) 12.436 16.397 ( -0.134 -1.038 -0.635) 1.224 16.397 ( -0.134 1.038 -0.635) 1.224 16.746 ( 0.120 -1.777 -0.788) 1.948 16.746 ( 0.120 1.777 -0.788) 1.948 17.632 ( -0.030 -0.503 0.882) 1.015 17.632 ( -0.030 0.503 0.882) 1.015 18.389 ( 0.394 -0.599 -0.265) 0.764 18.389 ( 0.394 0.599 -0.265) 0.764 ======================= Grid point 199 (107/108) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -1.200 -1.298 -1.218) 2.147 1.649 ( -1.200 1.298 -1.218) 2.147 1.795 ( 0.803 -4.952 -0.613) 5.054 1.795 ( 0.803 4.952 -0.613) 5.054 2.001 ( -1.524 -8.086 10.433) 13.288 2.001 ( -1.524 8.086 10.433) 13.288 2.178 ( -2.065 -9.622 -7.176) 12.179 2.178 ( -2.065 9.622 -7.176) 12.179 2.424 ( 1.310 -3.914 2.572) 4.863 2.424 ( 1.310 3.914 2.572) 4.863 2.601 ( -8.001 -9.035 0.201) 12.071 2.601 ( -8.001 9.035 0.201) 12.071 2.761 ( -4.071 -1.123 0.320) 4.236 2.761 ( -4.071 1.123 0.320) 4.236 3.131 ( 1.291 -4.592 1.110) 4.897 3.131 ( 1.291 4.592 1.110) 4.897 3.193 ( -0.497 -1.675 -2.060) 2.701 3.193 ( -0.497 1.675 -2.060) 2.701 3.437 ( -0.918 -3.518 2.116) 4.206 3.437 ( -0.918 3.518 2.116) 4.206 3.982 ( 7.335 -6.773 -6.645) 11.993 3.982 ( 7.335 6.773 -6.645) 11.993 4.172 ( 13.330 -4.398 1.427) 14.109 4.172 ( 13.330 4.398 1.427) 14.109 4.683 ( -4.020 -4.437 4.716) 7.621 4.683 ( -4.020 4.437 4.716) 7.621 4.811 ( -3.052 -2.284 -1.201) 3.997 4.811 ( -3.052 2.284 -1.201) 3.997 4.970 ( 1.129 -2.090 -2.240) 3.265 4.970 ( 1.129 2.090 -2.240) 3.265 5.121 ( -2.171 -0.606 -0.540) 2.318 5.121 ( -2.171 0.606 -0.540) 2.318 5.167 ( 6.053 -1.566 0.177) 6.254 5.167 ( 6.053 1.566 0.177) 6.254 5.441 ( -3.836 -3.767 0.565) 5.406 5.441 ( -3.836 3.767 0.565) 5.406 5.813 ( -1.105 -0.388 1.497) 1.901 5.813 ( -1.105 0.388 1.497) 1.901 6.094 ( 6.484 -1.566 -1.486) 6.834 6.094 ( 6.484 1.566 -1.486) 6.834 6.444 ( -7.455 -3.393 -0.429) 8.202 6.444 ( -7.455 3.393 -0.429) 8.202 6.776 ( 3.773 -1.629 2.762) 4.952 6.776 ( 3.773 1.629 2.762) 4.952 6.857 ( -2.980 -1.688 -0.577) 3.473 6.857 ( -2.980 1.688 -0.577) 3.473 7.274 ( 3.024 -3.332 -0.681) 4.551 7.274 ( 3.024 3.332 -0.681) 4.551 7.465 ( 1.284 -6.246 -0.216) 6.380 7.465 ( 1.284 6.246 -0.216) 6.380 7.686 ( -2.956 -2.314 -0.473) 3.783 7.686 ( -2.956 2.314 -0.473) 3.783 7.797 ( -2.184 -1.694 -1.881) 3.343 7.797 ( -2.184 1.694 -1.881) 3.343 8.055 ( 1.820 -1.813 -0.881) 2.716 8.055 ( 1.820 1.813 -0.881) 2.716 8.297 ( -5.391 -2.762 0.344) 6.067 8.297 ( -5.391 2.762 0.344) 6.067 8.727 ( 5.671 -6.469 2.063) 8.847 8.727 ( 5.671 6.469 2.063) 8.847 9.354 ( -6.294 -2.945 3.817) 7.928 9.354 ( -6.294 2.945 3.817) 7.928 9.740 ( 6.622 -0.939 -2.581) 7.168 9.740 ( 6.622 0.939 -2.581) 7.168 10.591 ( -2.261 -3.458 -7.642) 8.687 10.591 ( -2.261 3.458 -7.642) 8.687 10.769 ( 0.050 -3.445 5.747) 6.701 10.769 ( 0.050 3.445 5.747) 6.701 11.350 ( -0.403 -1.293 5.679) 5.839 11.350 ( -0.403 1.293 5.679) 5.839 12.122 ( -1.562 -1.408 -5.206) 5.615 12.122 ( -1.562 1.408 -5.206) 5.615 12.375 ( -3.520 -2.278 -3.576) 5.511 12.375 ( -3.520 2.278 -3.576) 5.511 12.622 ( 2.344 -1.928 0.733) 3.122 12.622 ( 2.344 1.928 0.733) 3.122 13.172 ( -3.478 -2.059 -1.132) 4.197 13.172 ( -3.478 2.059 -1.132) 4.197 13.650 ( 5.791 -2.406 5.620) 8.421 13.650 ( 5.791 2.406 5.620) 8.421 14.117 ( -4.089 -1.932 -0.746) 4.584 14.117 ( -4.089 1.932 -0.746) 4.584 14.545 ( 5.548 -4.653 0.465) 7.256 14.545 ( 5.548 4.653 0.465) 7.256 14.855 ( -6.938 -5.084 -0.734) 8.633 14.855 ( -6.938 5.084 -0.733) 8.633 15.457 ( 12.937 -3.232 1.173) 13.386 15.457 ( 12.937 3.232 1.173) 13.386 16.398 ( 0.228 -0.655 0.421) 0.811 16.398 ( 0.228 0.655 0.421) 0.811 16.739 ( -0.271 -1.588 -0.860) 1.827 16.739 ( -0.271 1.589 -0.860) 1.827 17.608 ( -1.938 -1.552 -2.270) 3.364 17.608 ( -1.938 1.552 -2.270) 3.364 18.416 ( 1.964 -1.046 1.412) 2.636 18.416 ( 1.964 1.046 1.412) 2.636 ======================= Grid point 201 (108/108) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -1.896 -1.754 -1.169) 2.835 1.609 ( -1.896 1.754 -1.169) 2.835 1.816 ( 2.615 -6.902 -1.071) 7.458 1.816 ( 2.615 6.902 -1.071) 7.458 2.043 ( -3.338 -1.120 6.958) 7.798 2.043 ( -3.338 1.120 6.958) 7.798 2.094 ( -1.759 -9.087 -2.818) 9.675 2.094 ( -1.759 9.087 -2.818) 9.675 2.432 ( -2.093 -2.063 4.133) 5.072 2.432 ( -2.093 2.063 4.133) 5.072 2.548 ( 1.909 -7.432 -0.382) 7.683 2.548 ( 1.909 7.432 -0.382) 7.683 2.694 ( -3.823 -5.207 3.138) 7.182 2.694 ( -3.823 5.207 3.138) 7.182 3.122 ( -1.050 -3.683 -1.594) 4.148 3.122 ( -1.050 3.683 -1.594) 4.148 3.193 ( -0.032 -4.600 0.658) 4.647 3.193 ( -0.032 4.600 0.658) 4.647 3.423 ( -0.489 -1.507 -3.944) 4.251 3.423 ( -0.489 1.507 -3.944) 4.251 4.033 ( 3.384 -5.124 -5.713) 8.387 4.033 ( 3.384 5.124 -5.713) 8.387 4.432 ( 12.742 -6.082 1.666) 14.217 4.432 ( 12.742 6.082 1.666) 14.217 4.654 ( -2.614 -4.228 4.366) 6.616 4.654 ( -2.614 4.228 4.366) 6.616 4.760 ( -2.026 -1.716 -0.892) 2.801 4.760 ( -2.026 1.716 -0.892) 2.801 4.974 ( 1.057 -2.294 -1.191) 2.792 4.974 ( 1.057 2.294 -1.191) 2.792 5.085 ( -1.152 -1.656 -0.573) 2.097 5.085 ( -1.152 1.656 -0.573) 2.097 5.251 ( 0.497 -1.133 -0.165) 1.248 5.251 ( 0.497 1.133 -0.165) 1.248 5.376 ( -1.227 -3.468 1.022) 3.818 5.376 ( -1.227 3.468 1.022) 3.818 5.802 ( -1.055 -0.712 -0.364) 1.324 5.802 ( -1.055 0.712 -0.364) 1.324 6.187 ( 4.070 -1.230 0.010) 4.252 6.187 ( 4.070 1.230 0.010) 4.252 6.349 ( -3.294 -3.538 1.699) 5.124 6.349 ( -3.294 3.538 1.699) 5.124 6.811 ( -0.857 -0.880 -1.006) 1.587 6.811 ( -0.857 0.880 -1.006) 1.587 6.845 ( 1.621 -3.409 1.986) 4.265 6.845 ( 1.621 3.409 1.986) 4.265 7.306 ( 0.826 -2.093 0.240) 2.263 7.306 ( 0.826 2.093 0.240) 2.263 7.476 ( -0.864 -2.898 -0.995) 3.184 7.476 ( -0.864 2.898 -0.995) 3.184 7.638 ( 0.450 -4.606 -0.208) 4.633 7.638 ( 0.450 4.606 -0.208) 4.633 7.766 ( -1.029 -0.751 -1.939) 2.320 7.766 ( -1.029 0.751 -1.939) 2.320 8.028 ( -2.883 -0.959 -3.439) 4.589 8.028 ( -2.883 0.959 -3.439) 4.589 8.231 ( -2.105 -2.785 1.171) 3.682 8.231 ( -2.105 2.785 1.171) 3.682 8.872 ( 7.798 -8.922 4.733) 12.759 8.872 ( 7.798 8.922 4.733) 12.759 9.260 ( -6.546 -5.376 1.643) 8.629 9.260 ( -6.546 5.376 1.643) 8.629 9.837 ( 4.980 -0.386 -0.646) 5.036 9.837 ( 4.980 0.386 -0.646) 5.036 10.476 ( -3.390 -3.294 -9.650) 10.745 10.476 ( -3.390 3.294 -9.650) 10.745 10.820 ( 0.079 -3.622 8.027) 8.806 10.820 ( 0.079 3.622 8.027) 8.806 11.392 ( 0.777 -2.440 5.750) 6.295 11.392 ( 0.777 2.440 5.750) 6.295 12.045 ( -2.145 -2.436 -7.346) 8.032 12.045 ( -2.145 2.436 -7.346) 8.032 12.285 ( -2.991 -2.083 -4.380) 5.698 12.285 ( -2.991 2.083 -4.380) 5.698 12.655 ( 0.841 -1.799 0.587) 2.071 12.655 ( 0.841 1.799 0.587) 2.071 13.123 ( -1.399 -1.756 -0.255) 2.260 13.123 ( -1.399 1.756 -0.255) 2.260 13.789 ( 4.641 -2.192 6.230) 8.072 13.789 ( 4.641 2.192 6.230) 8.072 14.056 ( -2.058 -1.317 -0.496) 2.493 14.056 ( -2.058 1.317 -0.496) 2.493 14.626 ( 3.341 -5.303 -1.283) 6.398 14.626 ( 3.341 5.303 -1.283) 6.398 14.753 ( -4.024 -3.739 0.154) 5.495 14.753 ( -4.024 3.739 0.154) 5.495 15.670 ( 8.858 -2.579 1.941) 9.428 15.670 ( 8.858 2.579 1.941) 9.428 16.407 ( 0.390 -0.673 0.604) 0.985 16.407 ( 0.390 0.673 0.604) 0.985 16.728 ( -0.260 -1.577 -0.854) 1.812 16.728 ( -0.260 1.577 -0.854) 1.812 17.546 ( -2.474 -1.985 -3.507) 4.729 17.546 ( -2.474 1.985 -3.507) 4.729 18.464 ( 1.895 -1.026 1.887) 2.865 18.464 ( 1.895 1.026 1.887) 2.865 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/33600 10.0 19.875 15.725 23.670 0.000 2.705 0.000 3/33600 20.0 4.459 5.622 7.646 0.000 0.755 0.000 3/33600 30.0 2.326 3.163 4.179 0.000 0.382 0.000 3/33600 40.0 1.539 2.132 2.759 0.000 0.233 0.000 3/33600 50.0 1.138 1.586 2.013 0.000 0.159 0.000 3/33600 60.0 0.901 1.257 1.567 0.000 0.118 0.000 3/33600 70.0 0.746 1.039 1.277 0.000 0.092 0.000 3/33600 80.0 0.638 0.886 1.076 0.000 0.076 0.000 3/33600 90.0 0.559 0.774 0.930 0.000 0.064 0.000 3/33600 100.0 0.499 0.687 0.820 0.000 0.056 0.000 3/33600 110.0 0.451 0.620 0.734 0.000 0.049 0.000 3/33600 120.0 0.413 0.565 0.665 0.000 0.044 0.000 3/33600 130.0 0.381 0.519 0.609 0.000 0.041 0.000 3/33600 140.0 0.354 0.482 0.563 0.000 0.037 0.000 3/33600 150.0 0.332 0.449 0.524 0.000 0.035 0.000 3/33600 160.0 0.312 0.422 0.490 0.000 0.033 0.000 3/33600 170.0 0.295 0.397 0.461 0.000 0.031 0.000 3/33600 180.0 0.280 0.376 0.436 0.000 0.029 0.000 3/33600 190.0 0.266 0.357 0.413 0.000 0.028 0.000 3/33600 200.0 0.254 0.340 0.393 0.000 0.026 0.000 3/33600 210.0 0.243 0.325 0.375 0.000 0.025 0.000 3/33600 220.0 0.233 0.311 0.359 0.000 0.024 0.000 3/33600 230.0 0.224 0.298 0.344 0.000 0.023 0.000 3/33600 240.0 0.216 0.287 0.331 0.000 0.022 0.000 3/33600 250.0 0.208 0.276 0.318 0.000 0.022 0.000 3/33600 260.0 0.201 0.266 0.307 0.000 0.021 0.000 3/33600 270.0 0.194 0.257 0.296 0.000 0.020 0.000 3/33600 280.0 0.188 0.248 0.286 0.000 0.020 0.000 3/33600 290.0 0.182 0.240 0.277 0.000 0.019 0.000 3/33600 300.0 0.177 0.233 0.268 0.000 0.018 0.000 3/33600 310.0 0.171 0.226 0.260 0.000 0.018 0.000 3/33600 320.0 0.166 0.219 0.253 0.000 0.017 0.000 3/33600 330.0 0.162 0.213 0.246 0.000 0.017 0.000 3/33600 340.0 0.158 0.207 0.239 0.000 0.017 0.000 3/33600 350.0 0.153 0.202 0.232 0.000 0.016 0.000 3/33600 360.0 0.150 0.196 0.226 0.000 0.016 0.000 3/33600 370.0 0.146 0.191 0.221 0.000 0.015 0.000 3/33600 380.0 0.142 0.187 0.215 0.000 0.015 0.000 3/33600 390.0 0.139 0.182 0.210 0.000 0.015 0.000 3/33600 400.0 0.136 0.178 0.205 0.000 0.014 0.000 3/33600 410.0 0.133 0.174 0.200 0.000 0.014 0.000 3/33600 420.0 0.130 0.170 0.196 0.000 0.014 0.000 3/33600 430.0 0.127 0.166 0.191 0.000 0.013 0.000 3/33600 440.0 0.124 0.163 0.187 0.000 0.013 0.000 3/33600 450.0 0.122 0.159 0.183 0.000 0.013 0.000 3/33600 460.0 0.119 0.156 0.179 0.000 0.013 0.000 3/33600 470.0 0.117 0.153 0.176 0.000 0.012 0.000 3/33600 480.0 0.114 0.150 0.172 0.000 0.012 0.000 3/33600 490.0 0.112 0.147 0.169 0.000 0.012 0.000 3/33600 500.0 0.110 0.144 0.166 0.000 0.012 0.000 3/33600 510.0 0.108 0.141 0.163 0.000 0.011 0.000 3/33600 520.0 0.106 0.139 0.160 0.000 0.011 0.000 3/33600 530.0 0.104 0.136 0.157 0.000 0.011 0.000 3/33600 540.0 0.102 0.134 0.154 0.000 0.011 0.000 3/33600 550.0 0.101 0.131 0.151 0.000 0.011 0.000 3/33600 560.0 0.099 0.129 0.149 0.000 0.010 0.000 3/33600 570.0 0.097 0.127 0.146 0.000 0.010 0.000 3/33600 580.0 0.096 0.125 0.144 0.000 0.010 0.000 3/33600 590.0 0.094 0.123 0.141 0.000 0.010 0.000 3/33600 600.0 0.093 0.121 0.139 0.000 0.010 0.000 3/33600 610.0 0.091 0.119 0.137 0.000 0.010 0.000 3/33600 620.0 0.090 0.117 0.135 0.000 0.010 0.000 3/33600 630.0 0.088 0.115 0.133 0.000 0.009 0.000 3/33600 640.0 0.087 0.113 0.131 0.000 0.009 0.000 3/33600 650.0 0.086 0.112 0.129 0.000 0.009 0.000 3/33600 660.0 0.084 0.110 0.127 0.000 0.009 0.000 3/33600 670.0 0.083 0.108 0.125 0.000 0.009 0.000 3/33600 680.0 0.082 0.107 0.123 0.000 0.009 0.000 3/33600 690.0 0.081 0.105 0.121 0.000 0.009 0.000 3/33600 700.0 0.080 0.104 0.120 0.000 0.009 0.000 3/33600 710.0 0.079 0.103 0.118 0.000 0.008 0.000 3/33600 720.0 0.078 0.101 0.117 0.000 0.008 0.000 3/33600 730.0 0.077 0.100 0.115 0.000 0.008 0.000 3/33600 740.0 0.076 0.098 0.113 0.000 0.008 0.000 3/33600 750.0 0.075 0.097 0.112 0.000 0.008 0.000 3/33600 760.0 0.074 0.096 0.111 0.000 0.008 0.000 3/33600 770.0 0.073 0.095 0.109 0.000 0.008 0.000 3/33600 780.0 0.072 0.094 0.108 0.000 0.008 0.000 3/33600 790.0 0.071 0.092 0.106 0.000 0.008 0.000 3/33600 800.0 0.070 0.091 0.105 0.000 0.007 0.000 3/33600 810.0 0.069 0.090 0.104 0.000 0.007 0.000 3/33600 820.0 0.068 0.089 0.103 0.000 0.007 0.000 3/33600 830.0 0.068 0.088 0.101 0.000 0.007 0.000 3/33600 840.0 0.067 0.087 0.100 0.000 0.007 0.000 3/33600 850.0 0.066 0.086 0.099 0.000 0.007 0.000 3/33600 860.0 0.065 0.085 0.098 0.000 0.007 0.000 3/33600 870.0 0.065 0.084 0.097 0.000 0.007 0.000 3/33600 880.0 0.064 0.083 0.096 0.000 0.007 0.000 3/33600 890.0 0.063 0.082 0.095 0.000 0.007 0.000 3/33600 900.0 0.063 0.081 0.094 0.000 0.007 0.000 3/33600 910.0 0.062 0.080 0.093 0.000 0.007 0.000 3/33600 920.0 0.061 0.080 0.092 0.000 0.007 0.000 3/33600 930.0 0.061 0.079 0.091 0.000 0.006 0.000 3/33600 940.0 0.060 0.078 0.090 0.000 0.006 0.000 3/33600 950.0 0.059 0.077 0.089 0.000 0.006 0.000 3/33600 960.0 0.059 0.076 0.088 0.000 0.006 0.000 3/33600 970.0 0.058 0.076 0.087 0.000 0.006 0.000 3/33600 980.0 0.058 0.075 0.086 0.000 0.006 0.000 3/33600 990.0 0.057 0.074 0.085 0.000 0.006 0.000 3/33600 1000.0 0.056 0.073 0.084 0.000 0.006 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m7105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:42:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|