----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:40:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.291249680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.160686830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.132167789999999 Atomic positions (fractional): *1 O 0.26982209923736 0.57562434713809 0.46331981003671 15.999 2 O 0.26982209923736 0.92437565286191 0.53668018996329 15.999 3 O 0.73017790076264 0.07562434713809 0.03668018996329 15.999 4 O 0.73017790076264 0.42437565286191 0.96331981003671 15.999 5 O 0.73017790076264 0.42437565286191 0.53668018996329 15.999 6 O 0.73017790076264 0.07562434713809 0.46331981003671 15.999 7 O 0.26982209923736 0.92437565286191 0.96331981003671 15.999 8 O 0.26982209923736 0.57562434713809 0.03668018996329 15.999 *9 O 0.05033289857746 0.26870358995001 0.38388336236661 15.999 10 O 0.05033289857746 0.26870358995001 0.11611663763339 15.999 11 O 0.94966710142254 0.76870358995001 0.11611663763339 15.999 12 O 0.94966710142254 0.73129641004999 0.88388336236661 15.999 13 O 0.94966710142254 0.73129641004999 0.61611663763339 15.999 14 O 0.94966710142254 0.76870358995001 0.38388336236661 15.999 15 O 0.05033289857746 0.23129641004999 0.88388336236661 15.999 16 O 0.05033289857746 0.23129641004999 0.61611663763339 15.999 *17 Si 0.11326024797022 0.75000000000000 0.00000000000000 28.085 18 Si 0.88673975202978 0.25000000000000 0.00000000000000 28.085 19 Si 0.88673975202978 0.25000000000000 0.50000000000000 28.085 20 Si 0.11326024797022 0.75000000000000 0.50000000000000 28.085 *21 Te 0.59969587298831 0.07587479544603 0.75000000000000 127.600 22 Te 0.59969587298831 0.42412520455398 0.25000000000000 127.600 23 Te 0.40030412701169 0.57587479544603 0.75000000000000 127.600 24 Te 0.40030412701169 0.92412520455397 0.25000000000000 127.600 *25 Nd 0.38884025458358 0.25000000000000 0.50000000000000 144.242 26 Nd 0.38884025458358 0.25000000000000 0.00000000000000 144.242 27 Nd 0.61115974541643 0.75000000000000 0.50000000000000 144.242 28 Nd 0.61115974541643 0.75000000000000 0.00000000000000 144.242 *29 Nd 0.88606821946685 0.46181795899609 0.75000000000000 144.242 30 Nd 0.88606821946685 0.03818204100391 0.25000000000000 144.242 31 Nd 0.11393178053315 0.96181795899609 0.75000000000000 144.242 32 Nd 0.11393178053315 0.53818204100391 0.25000000000000 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.291249680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.160686830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.132167789999999 Atomic positions (fractional): *1 O 0.26982209923736 0.57562434713809 0.46331981003671 15.999 > 1 2 O 0.26982209923736 0.92437565286191 0.53668018996329 15.999 > 2 3 O 0.73017790076264 0.07562434713809 0.03668018996329 15.999 > 3 4 O 0.73017790076264 0.42437565286191 0.96331981003671 15.999 > 4 5 O 0.73017790076264 0.42437565286191 0.53668018996329 15.999 > 5 6 O 0.73017790076264 0.07562434713809 0.46331981003671 15.999 > 6 7 O 0.26982209923736 0.92437565286191 0.96331981003671 15.999 > 7 8 O 0.26982209923736 0.57562434713809 0.03668018996329 15.999 > 8 *9 O 0.05033289857746 0.26870358995001 0.38388336236661 15.999 > 9 10 O 0.05033289857746 0.26870358995001 0.11611663763339 15.999 > 10 11 O 0.94966710142254 0.76870358995001 0.11611663763339 15.999 > 11 12 O 0.94966710142254 0.73129641004999 0.88388336236661 15.999 > 12 13 O 0.94966710142254 0.73129641004999 0.61611663763339 15.999 > 13 14 O 0.94966710142254 0.76870358995001 0.38388336236661 15.999 > 14 15 O 0.05033289857746 0.23129641004999 0.88388336236661 15.999 > 15 16 O 0.05033289857746 0.23129641004999 0.61611663763339 15.999 > 16 *17 Si 0.11326024797022 0.75000000000000 0.00000000000000 28.085 > 17 18 Si 0.88673975202978 0.25000000000000 0.00000000000000 28.085 > 18 19 Si 0.88673975202978 0.25000000000000 0.50000000000000 28.085 > 19 20 Si 0.11326024797022 0.75000000000000 0.50000000000000 28.085 > 20 *21 Te 0.59969587298831 0.07587479544603 0.75000000000000 127.600 > 21 22 Te 0.59969587298831 0.42412520455398 0.25000000000000 127.600 > 22 23 Te 0.40030412701169 0.57587479544603 0.75000000000000 127.600 > 23 24 Te 0.40030412701169 0.92412520455397 0.25000000000000 127.600 > 24 *25 Nd 0.38884025458358 0.25000000000000 0.50000000000000 144.242 > 25 26 Nd 0.38884025458358 0.25000000000000 0.00000000000000 144.242 > 26 27 Nd 0.61115974541643 0.75000000000000 0.50000000000000 144.242 > 27 28 Nd 0.61115974541643 0.75000000000000 0.00000000000000 144.242 > 28 *29 Nd 0.88606821946685 0.46181795899609 0.75000000000000 144.242 > 29 30 Nd 0.88606821946685 0.03818204100391 0.25000000000000 144.242 > 30 31 Nd 0.11393178053315 0.96181795899609 0.75000000000000 144.242 > 31 32 Nd 0.11393178053315 0.53818204100391 0.25000000000000 144.242 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.582499360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.321373660000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.132167789999999 Atomic positions (fractional): *1 O 0.13491104961868 0.28781217356904 0.46331981003671 15.999 > 1 2 O 0.63491104961868 0.28781217356904 0.46331981003671 15.999 > 1 3 O 0.13491104961868 0.78781217356904 0.46331981003671 15.999 > 1 4 O 0.63491104961868 0.78781217356904 0.46331981003671 15.999 > 1 5 O 0.13491104961868 0.46218782643096 0.53668018996329 15.999 > 2 6 O 0.63491104961868 0.46218782643096 0.53668018996329 15.999 > 2 7 O 0.13491104961868 0.96218782643096 0.53668018996329 15.999 > 2 8 O 0.63491104961868 0.96218782643096 0.53668018996329 15.999 > 2 9 O 0.36508895038132 0.03781217356904 0.03668018996329 15.999 > 3 10 O 0.86508895038132 0.03781217356904 0.03668018996329 15.999 > 3 11 O 0.36508895038132 0.53781217356904 0.03668018996329 15.999 > 3 12 O 0.86508895038132 0.53781217356904 0.03668018996329 15.999 > 3 13 O 0.36508895038132 0.21218782643096 0.96331981003671 15.999 > 4 14 O 0.86508895038132 0.21218782643096 0.96331981003671 15.999 > 4 15 O 0.36508895038132 0.71218782643096 0.96331981003671 15.999 > 4 16 O 0.86508895038132 0.71218782643096 0.96331981003671 15.999 > 4 17 O 0.36508895038132 0.21218782643096 0.53668018996329 15.999 > 5 18 O 0.86508895038132 0.21218782643096 0.53668018996329 15.999 > 5 19 O 0.36508895038132 0.71218782643096 0.53668018996329 15.999 > 5 20 O 0.86508895038132 0.71218782643096 0.53668018996329 15.999 > 5 21 O 0.36508895038132 0.03781217356904 0.46331981003671 15.999 > 6 22 O 0.86508895038132 0.03781217356904 0.46331981003671 15.999 > 6 23 O 0.36508895038132 0.53781217356904 0.46331981003671 15.999 > 6 24 O 0.86508895038132 0.53781217356904 0.46331981003671 15.999 > 6 25 O 0.13491104961868 0.46218782643096 0.96331981003671 15.999 > 7 26 O 0.63491104961868 0.46218782643096 0.96331981003671 15.999 > 7 27 O 0.13491104961868 0.96218782643096 0.96331981003671 15.999 > 7 28 O 0.63491104961868 0.96218782643096 0.96331981003671 15.999 > 7 29 O 0.13491104961868 0.28781217356904 0.03668018996329 15.999 > 8 30 O 0.63491104961868 0.28781217356904 0.03668018996329 15.999 > 8 31 O 0.13491104961868 0.78781217356904 0.03668018996329 15.999 > 8 32 O 0.63491104961868 0.78781217356904 0.03668018996329 15.999 > 8 *33 O 0.02516644928873 0.13435179497500 0.38388336236661 15.999 > 9 34 O 0.52516644928873 0.13435179497500 0.38388336236661 15.999 > 9 35 O 0.02516644928873 0.63435179497500 0.38388336236661 15.999 > 9 36 O 0.52516644928873 0.63435179497500 0.38388336236661 15.999 > 9 37 O 0.02516644928873 0.13435179497500 0.11611663763339 15.999 > 10 38 O 0.52516644928873 0.13435179497500 0.11611663763339 15.999 > 10 39 O 0.02516644928873 0.63435179497500 0.11611663763339 15.999 > 10 40 O 0.52516644928873 0.63435179497500 0.11611663763339 15.999 > 10 41 O 0.47483355071127 0.38435179497500 0.11611663763339 15.999 > 11 42 O 0.97483355071127 0.38435179497500 0.11611663763339 15.999 > 11 43 O 0.47483355071127 0.88435179497500 0.11611663763339 15.999 > 11 44 O 0.97483355071127 0.88435179497500 0.11611663763339 15.999 > 11 45 O 0.47483355071127 0.36564820502500 0.88388336236661 15.999 > 12 46 O 0.97483355071127 0.36564820502500 0.88388336236661 15.999 > 12 47 O 0.47483355071127 0.86564820502500 0.88388336236661 15.999 > 12 48 O 0.97483355071127 0.86564820502500 0.88388336236661 15.999 > 12 49 O 0.47483355071127 0.36564820502500 0.61611663763339 15.999 > 13 50 O 0.97483355071127 0.36564820502500 0.61611663763339 15.999 > 13 51 O 0.47483355071127 0.86564820502500 0.61611663763339 15.999 > 13 52 O 0.97483355071127 0.86564820502500 0.61611663763339 15.999 > 13 53 O 0.47483355071127 0.38435179497500 0.38388336236661 15.999 > 14 54 O 0.97483355071127 0.38435179497500 0.38388336236661 15.999 > 14 55 O 0.47483355071127 0.88435179497500 0.38388336236661 15.999 > 14 56 O 0.97483355071127 0.88435179497500 0.38388336236661 15.999 > 14 57 O 0.02516644928873 0.11564820502500 0.88388336236661 15.999 > 15 58 O 0.52516644928873 0.11564820502500 0.88388336236661 15.999 > 15 59 O 0.02516644928873 0.61564820502500 0.88388336236661 15.999 > 15 60 O 0.52516644928873 0.61564820502500 0.88388336236661 15.999 > 15 61 O 0.02516644928873 0.11564820502500 0.61611663763339 15.999 > 16 62 O 0.52516644928873 0.11564820502500 0.61611663763339 15.999 > 16 63 O 0.02516644928873 0.61564820502500 0.61611663763339 15.999 > 16 64 O 0.52516644928873 0.61564820502500 0.61611663763339 15.999 > 16 *65 Si 0.05663012398511 0.37500000000000 0.00000000000000 28.085 > 17 66 Si 0.55663012398511 0.37500000000000 0.00000000000000 28.085 > 17 67 Si 0.05663012398511 0.87500000000000 0.00000000000000 28.085 > 17 68 Si 0.55663012398511 0.87500000000000 0.00000000000000 28.085 > 17 69 Si 0.44336987601489 0.12500000000000 0.00000000000000 28.085 > 18 70 Si 0.94336987601489 0.12500000000000 0.00000000000000 28.085 > 18 71 Si 0.44336987601489 0.62500000000000 0.00000000000000 28.085 > 18 72 Si 0.94336987601489 0.62500000000000 0.00000000000000 28.085 > 18 73 Si 0.44336987601489 0.12500000000000 0.50000000000000 28.085 > 19 74 Si 0.94336987601489 0.12500000000000 0.50000000000000 28.085 > 19 75 Si 0.44336987601489 0.62500000000000 0.50000000000000 28.085 > 19 76 Si 0.94336987601489 0.62500000000000 0.50000000000000 28.085 > 19 77 Si 0.05663012398511 0.37500000000000 0.50000000000000 28.085 > 20 78 Si 0.55663012398511 0.37500000000000 0.50000000000000 28.085 > 20 79 Si 0.05663012398511 0.87500000000000 0.50000000000000 28.085 > 20 80 Si 0.55663012398511 0.87500000000000 0.50000000000000 28.085 > 20 *81 Te 0.29984793649415 0.03793739772301 0.75000000000000 127.600 > 21 82 Te 0.79984793649415 0.03793739772301 0.75000000000000 127.600 > 21 83 Te 0.29984793649415 0.53793739772301 0.75000000000000 127.600 > 21 84 Te 0.79984793649415 0.53793739772301 0.75000000000000 127.600 > 21 85 Te 0.29984793649415 0.21206260227699 0.25000000000000 127.600 > 22 86 Te 0.79984793649415 0.21206260227699 0.25000000000000 127.600 > 22 87 Te 0.29984793649415 0.71206260227699 0.25000000000000 127.600 > 22 88 Te 0.79984793649415 0.71206260227699 0.25000000000000 127.600 > 22 89 Te 0.20015206350585 0.28793739772301 0.75000000000000 127.600 > 23 90 Te 0.70015206350585 0.28793739772301 0.75000000000000 127.600 > 23 91 Te 0.20015206350585 0.78793739772301 0.75000000000000 127.600 > 23 92 Te 0.70015206350585 0.78793739772301 0.75000000000000 127.600 > 23 93 Te 0.20015206350585 0.46206260227699 0.25000000000000 127.600 > 24 94 Te 0.70015206350585 0.46206260227699 0.25000000000000 127.600 > 24 95 Te 0.20015206350585 0.96206260227699 0.25000000000000 127.600 > 24 96 Te 0.70015206350585 0.96206260227699 0.25000000000000 127.600 > 24 *97 Nd 0.19442012729179 0.12500000000000 0.50000000000000 144.242 > 25 98 Nd 0.69442012729179 0.12500000000000 0.50000000000000 144.242 > 25 99 Nd 0.19442012729179 0.62500000000000 0.50000000000000 144.242 > 25 100 Nd 0.69442012729179 0.62500000000000 0.50000000000000 144.242 > 25 101 Nd 0.19442012729179 0.12500000000000 0.00000000000000 144.242 > 26 102 Nd 0.69442012729179 0.12500000000000 0.00000000000000 144.242 > 26 103 Nd 0.19442012729179 0.62500000000000 0.00000000000000 144.242 > 26 104 Nd 0.69442012729179 0.62500000000000 0.00000000000000 144.242 > 26 105 Nd 0.30557987270821 0.37500000000000 0.50000000000000 144.242 > 27 106 Nd 0.80557987270821 0.37500000000000 0.50000000000000 144.242 > 27 107 Nd 0.30557987270821 0.87500000000000 0.50000000000000 144.242 > 27 108 Nd 0.80557987270821 0.87500000000000 0.50000000000000 144.242 > 27 109 Nd 0.30557987270821 0.37500000000000 0.00000000000000 144.242 > 28 110 Nd 0.80557987270821 0.37500000000000 0.00000000000000 144.242 > 28 111 Nd 0.30557987270821 0.87500000000000 0.00000000000000 144.242 > 28 112 Nd 0.80557987270821 0.87500000000000 0.00000000000000 144.242 > 28 *113 Nd 0.44303410973342 0.23090897949805 0.75000000000000 144.242 > 29 114 Nd 0.94303410973342 0.23090897949805 0.75000000000000 144.242 > 29 115 Nd 0.44303410973342 0.73090897949805 0.75000000000000 144.242 > 29 116 Nd 0.94303410973342 0.73090897949805 0.75000000000000 144.242 > 29 117 Nd 0.44303410973342 0.01909102050195 0.25000000000000 144.242 > 30 118 Nd 0.94303410973342 0.01909102050195 0.25000000000000 144.242 > 30 119 Nd 0.44303410973342 0.51909102050195 0.25000000000000 144.242 > 30 120 Nd 0.94303410973342 0.51909102050195 0.25000000000000 144.242 > 30 121 Nd 0.05696589026658 0.48090897949805 0.75000000000000 144.242 > 31 122 Nd 0.55696589026658 0.48090897949805 0.75000000000000 144.242 > 31 123 Nd 0.05696589026658 0.98090897949805 0.75000000000000 144.242 > 31 124 Nd 0.55696589026658 0.98090897949805 0.75000000000000 144.242 > 31 125 Nd 0.05696589026658 0.26909102050195 0.25000000000000 144.242 > 32 126 Nd 0.55696589026658 0.26909102050195 0.25000000000000 144.242 > 32 127 Nd 0.05696589026658 0.76909102050195 0.25000000000000 144.242 > 32 128 Nd 0.55696589026658 0.76909102050195 0.25000000000000 144.242 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1841067 0.0000000 0.0000000 0.0000000 6.4903266 0.0000000 0.0000000 0.0000000 6.1877240 -------------------------- Born effective charges -------------------------- 1 O -2.1792466 0.3090470 -0.0732958 0.3847193 -2.5020191 -0.0962209 -0.0730964 -0.1199311 -2.5293570 2 O -2.1792466 -0.3090470 0.0732958 -0.3847193 -2.5020191 -0.0962209 0.0730964 -0.1199311 -2.5293570 3 O -2.1792466 -0.3090470 -0.0732958 -0.3847193 -2.5020191 0.0962209 -0.0730964 0.1199311 -2.5293570 4 O -2.1792466 0.3090470 0.0732958 0.3847193 -2.5020191 0.0962209 0.0730964 0.1199311 -2.5293570 5 O -2.1792466 0.3090470 -0.0732958 0.3847193 -2.5020191 -0.0962209 -0.0730964 -0.1199311 -2.5293570 6 O -2.1792466 -0.3090470 0.0732958 -0.3847193 -2.5020191 -0.0962209 0.0730964 -0.1199311 -2.5293570 7 O -2.1792466 -0.3090470 -0.0732958 -0.3847193 -2.5020191 0.0962209 -0.0730964 0.1199311 -2.5293570 8 O -2.1792466 0.3090470 0.0732958 0.3847193 -2.5020191 0.0962209 0.0730964 0.1199311 -2.5293570 9 O -2.8085512 -0.2504008 0.0347925 -0.0713175 -1.9788279 0.2260122 -0.0247317 0.0252094 -2.5544023 10 O -2.8085512 -0.2504008 -0.0347925 -0.0713175 -1.9788279 -0.2260122 0.0247317 -0.0252094 -2.5544023 11 O -2.8085512 0.2504008 0.0347925 0.0713175 -1.9788279 -0.2260122 -0.0247317 -0.0252094 -2.5544023 12 O -2.8085512 -0.2504008 -0.0347925 -0.0713175 -1.9788279 -0.2260122 0.0247317 -0.0252094 -2.5544023 13 O -2.8085512 -0.2504008 0.0347925 -0.0713175 -1.9788279 0.2260122 -0.0247317 0.0252094 -2.5544023 14 O -2.8085512 0.2504008 -0.0347925 0.0713175 -1.9788279 0.2260122 0.0247317 0.0252094 -2.5544023 15 O -2.8085512 0.2504008 0.0347925 0.0713175 -1.9788279 -0.2260122 -0.0247317 -0.0252094 -2.5544023 16 O -2.8085512 0.2504008 -0.0347925 0.0713175 -1.9788279 0.2260122 0.0247317 0.0252094 -2.5544023 17 Si 3.8168660 0.0000000 0.0000000 -0.0000000 2.6213201 0.1757138 0.0000000 -0.0942356 3.8410273 18 Si 3.8168660 0.0000000 0.0000000 -0.0000000 2.6213201 0.1757138 0.0000000 -0.0942356 3.8410273 19 Si 3.8168660 0.0000000 0.0000000 -0.0000000 2.6213201 -0.1757138 0.0000000 0.0942356 3.8410273 20 Si 3.8168660 0.0000000 0.0000000 -0.0000000 2.6213201 -0.1757138 0.0000000 0.0942356 3.8410273 21 Te -2.3451453 -0.0912352 0.0000000 0.0060323 -2.1044841 0.0000000 0.0000000 0.0000000 -2.0146547 22 Te -2.3451453 0.0912352 0.0000000 -0.0060323 -2.1044841 0.0000000 0.0000000 0.0000000 -2.0146547 23 Te -2.3451453 0.0912352 0.0000000 -0.0060323 -2.1044841 0.0000000 0.0000000 0.0000000 -2.0146547 24 Te -2.3451453 -0.0912352 0.0000000 0.0060323 -2.1044841 0.0000000 0.0000000 0.0000000 -2.0146547 25 Nd 3.9495601 0.0000000 0.0000000 -0.0000000 4.4884980 0.2114643 0.0000000 0.1075489 4.6538068 26 Nd 3.9495601 0.0000000 0.0000000 -0.0000000 4.4884980 -0.2114643 0.0000000 -0.1075489 4.6538068 27 Nd 3.9495601 0.0000000 0.0000000 -0.0000000 4.4884980 0.2114643 0.0000000 0.1075489 4.6538068 28 Nd 3.9495601 0.0000000 0.0000000 -0.0000000 4.4884980 -0.2114643 0.0000000 -0.1075489 4.6538068 29 Nd 4.5543147 0.3690418 0.0000000 0.3051686 3.9563601 0.0000000 0.0000000 0.0000000 3.6873393 30 Nd 4.5543147 -0.3690418 0.0000000 -0.3051686 3.9563601 0.0000000 0.0000000 0.0000000 3.6873393 31 Nd 4.5543147 -0.3690418 0.0000000 -0.3051686 3.9563601 0.0000000 0.0000000 0.0000000 3.6873393 32 Nd 4.5543147 0.3690418 0.0000000 0.3051686 3.9563601 0.0000000 0.0000000 0.0000000 3.6873393 ---------------------------------------------------------------------------- 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: 2472 Number of blocks in projector: 2472 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: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.821 Solver_block: 200 / 480 - Time: 0.758 Solver_block: 300 / 480 - Time: 0.762 Solver_block: 400 / 480 - Time: 0.765 Solver_block: 480 / 480 - Time: 0.626 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.827 --------------------------------- 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: 2472 Number of blocks in projector: 2472 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: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:41:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:41:17]------------------------- 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: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.291249680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.160686830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.132167789999999 Atomic positions (fractional): 1 O 0.26982209923736 0.57562434713809 0.46331981003671 15.999 2 O 0.26982209923736 0.92437565286191 0.53668018996329 15.999 3 O 0.73017790076264 0.07562434713809 0.03668018996329 15.999 4 O 0.73017790076264 0.42437565286191 0.96331981003671 15.999 5 O 0.73017790076264 0.42437565286191 0.53668018996329 15.999 6 O 0.73017790076264 0.07562434713809 0.46331981003671 15.999 7 O 0.26982209923736 0.92437565286191 0.96331981003671 15.999 8 O 0.26982209923736 0.57562434713809 0.03668018996329 15.999 9 O 0.05033289857746 0.26870358995001 0.38388336236661 15.999 10 O 0.05033289857746 0.26870358995001 0.11611663763339 15.999 11 O 0.94966710142254 0.76870358995001 0.11611663763339 15.999 12 O 0.94966710142254 0.73129641004999 0.88388336236661 15.999 13 O 0.94966710142254 0.73129641004999 0.61611663763339 15.999 14 O 0.94966710142254 0.76870358995001 0.38388336236661 15.999 15 O 0.05033289857746 0.23129641004999 0.88388336236661 15.999 16 O 0.05033289857746 0.23129641004999 0.61611663763339 15.999 17 Si 0.11326024797022 0.75000000000000 0.00000000000000 28.085 18 Si 0.88673975202978 0.25000000000000 0.00000000000000 28.085 19 Si 0.88673975202978 0.25000000000000 0.50000000000000 28.085 20 Si 0.11326024797022 0.75000000000000 0.50000000000000 28.085 21 Te 0.59969587298831 0.07587479544603 0.75000000000000 127.600 22 Te 0.59969587298831 0.42412520455398 0.25000000000000 127.600 23 Te 0.40030412701169 0.57587479544603 0.75000000000000 127.600 24 Te 0.40030412701169 0.92412520455397 0.25000000000000 127.600 25 Nd 0.38884025458358 0.25000000000000 0.50000000000000 144.242 26 Nd 0.38884025458358 0.25000000000000 0.00000000000000 144.242 27 Nd 0.61115974541643 0.75000000000000 0.50000000000000 144.242 28 Nd 0.61115974541643 0.75000000000000 0.00000000000000 144.242 29 Nd 0.88606821946685 0.46181795899609 0.75000000000000 144.242 30 Nd 0.88606821946685 0.03818204100391 0.25000000000000 144.242 31 Nd 0.11393178053315 0.96181795899609 0.75000000000000 144.242 32 Nd 0.11393178053315 0.53818204100391 0.25000000000000 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.582499360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.321373660000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.132167789999999 Atomic positions (fractional): 1 O 0.13491104961868 0.28781217356904 0.46331981003671 15.999 > 1 2 O 0.63491104961868 0.28781217356904 0.46331981003671 15.999 > 1 3 O 0.13491104961868 0.78781217356904 0.46331981003671 15.999 > 1 4 O 0.63491104961868 0.78781217356904 0.46331981003671 15.999 > 1 5 O 0.13491104961868 0.46218782643096 0.53668018996329 15.999 > 5 6 O 0.63491104961868 0.46218782643096 0.53668018996329 15.999 > 5 7 O 0.13491104961868 0.96218782643096 0.53668018996329 15.999 > 5 8 O 0.63491104961868 0.96218782643096 0.53668018996329 15.999 > 5 9 O 0.36508895038132 0.03781217356904 0.03668018996329 15.999 > 9 10 O 0.86508895038132 0.03781217356904 0.03668018996329 15.999 > 9 11 O 0.36508895038132 0.53781217356904 0.03668018996329 15.999 > 9 12 O 0.86508895038132 0.53781217356904 0.03668018996329 15.999 > 9 13 O 0.36508895038132 0.21218782643096 0.96331981003671 15.999 > 13 14 O 0.86508895038132 0.21218782643096 0.96331981003671 15.999 > 13 15 O 0.36508895038132 0.71218782643096 0.96331981003671 15.999 > 13 16 O 0.86508895038132 0.71218782643096 0.96331981003671 15.999 > 13 17 O 0.36508895038132 0.21218782643096 0.53668018996329 15.999 > 17 18 O 0.86508895038132 0.21218782643096 0.53668018996329 15.999 > 17 19 O 0.36508895038132 0.71218782643096 0.53668018996329 15.999 > 17 20 O 0.86508895038132 0.71218782643096 0.53668018996329 15.999 > 17 21 O 0.36508895038132 0.03781217356904 0.46331981003671 15.999 > 21 22 O 0.86508895038132 0.03781217356904 0.46331981003671 15.999 > 21 23 O 0.36508895038132 0.53781217356904 0.46331981003671 15.999 > 21 24 O 0.86508895038132 0.53781217356904 0.46331981003671 15.999 > 21 25 O 0.13491104961868 0.46218782643096 0.96331981003671 15.999 > 25 26 O 0.63491104961868 0.46218782643096 0.96331981003671 15.999 > 25 27 O 0.13491104961868 0.96218782643096 0.96331981003671 15.999 > 25 28 O 0.63491104961868 0.96218782643096 0.96331981003671 15.999 > 25 29 O 0.13491104961868 0.28781217356904 0.03668018996329 15.999 > 29 30 O 0.63491104961868 0.28781217356904 0.03668018996329 15.999 > 29 31 O 0.13491104961868 0.78781217356904 0.03668018996329 15.999 > 29 32 O 0.63491104961868 0.78781217356904 0.03668018996329 15.999 > 29 33 O 0.02516644928873 0.13435179497500 0.38388336236661 15.999 > 33 34 O 0.52516644928873 0.13435179497500 0.38388336236661 15.999 > 33 35 O 0.02516644928873 0.63435179497500 0.38388336236661 15.999 > 33 36 O 0.52516644928873 0.63435179497500 0.38388336236661 15.999 > 33 37 O 0.02516644928873 0.13435179497500 0.11611663763339 15.999 > 37 38 O 0.52516644928873 0.13435179497500 0.11611663763339 15.999 > 37 39 O 0.02516644928873 0.63435179497500 0.11611663763339 15.999 > 37 40 O 0.52516644928873 0.63435179497500 0.11611663763339 15.999 > 37 41 O 0.47483355071127 0.38435179497500 0.11611663763339 15.999 > 41 42 O 0.97483355071127 0.38435179497500 0.11611663763339 15.999 > 41 43 O 0.47483355071127 0.88435179497500 0.11611663763339 15.999 > 41 44 O 0.97483355071127 0.88435179497500 0.11611663763339 15.999 > 41 45 O 0.47483355071127 0.36564820502500 0.88388336236661 15.999 > 45 46 O 0.97483355071127 0.36564820502500 0.88388336236661 15.999 > 45 47 O 0.47483355071127 0.86564820502500 0.88388336236661 15.999 > 45 48 O 0.97483355071127 0.86564820502500 0.88388336236661 15.999 > 45 49 O 0.47483355071127 0.36564820502500 0.61611663763339 15.999 > 49 50 O 0.97483355071127 0.36564820502500 0.61611663763339 15.999 > 49 51 O 0.47483355071127 0.86564820502500 0.61611663763339 15.999 > 49 52 O 0.97483355071127 0.86564820502500 0.61611663763339 15.999 > 49 53 O 0.47483355071127 0.38435179497500 0.38388336236661 15.999 > 53 54 O 0.97483355071127 0.38435179497500 0.38388336236661 15.999 > 53 55 O 0.47483355071127 0.88435179497500 0.38388336236661 15.999 > 53 56 O 0.97483355071127 0.88435179497500 0.38388336236661 15.999 > 53 57 O 0.02516644928873 0.11564820502500 0.88388336236661 15.999 > 57 58 O 0.52516644928873 0.11564820502500 0.88388336236661 15.999 > 57 59 O 0.02516644928873 0.61564820502500 0.88388336236661 15.999 > 57 60 O 0.52516644928873 0.61564820502500 0.88388336236661 15.999 > 57 61 O 0.02516644928873 0.11564820502500 0.61611663763339 15.999 > 61 62 O 0.52516644928873 0.11564820502500 0.61611663763339 15.999 > 61 63 O 0.02516644928873 0.61564820502500 0.61611663763339 15.999 > 61 64 O 0.52516644928873 0.61564820502500 0.61611663763339 15.999 > 61 65 Si 0.05663012398511 0.37500000000000 0.00000000000000 28.085 > 65 66 Si 0.55663012398511 0.37500000000000 0.00000000000000 28.085 > 65 67 Si 0.05663012398511 0.87500000000000 0.00000000000000 28.085 > 65 68 Si 0.55663012398511 0.87500000000000 0.00000000000000 28.085 > 65 69 Si 0.44336987601489 0.12500000000000 0.00000000000000 28.085 > 69 70 Si 0.94336987601489 0.12500000000000 0.00000000000000 28.085 > 69 71 Si 0.44336987601489 0.62500000000000 0.00000000000000 28.085 > 69 72 Si 0.94336987601489 0.62500000000000 0.00000000000000 28.085 > 69 73 Si 0.44336987601489 0.12500000000000 0.50000000000000 28.085 > 73 74 Si 0.94336987601489 0.12500000000000 0.50000000000000 28.085 > 73 75 Si 0.44336987601489 0.62500000000000 0.50000000000000 28.085 > 73 76 Si 0.94336987601489 0.62500000000000 0.50000000000000 28.085 > 73 77 Si 0.05663012398511 0.37500000000000 0.50000000000000 28.085 > 77 78 Si 0.55663012398511 0.37500000000000 0.50000000000000 28.085 > 77 79 Si 0.05663012398511 0.87500000000000 0.50000000000000 28.085 > 77 80 Si 0.55663012398511 0.87500000000000 0.50000000000000 28.085 > 77 81 Te 0.29984793649415 0.03793739772301 0.75000000000000 127.600 > 81 82 Te 0.79984793649415 0.03793739772301 0.75000000000000 127.600 > 81 83 Te 0.29984793649415 0.53793739772301 0.75000000000000 127.600 > 81 84 Te 0.79984793649415 0.53793739772301 0.75000000000000 127.600 > 81 85 Te 0.29984793649415 0.21206260227699 0.25000000000000 127.600 > 85 86 Te 0.79984793649415 0.21206260227699 0.25000000000000 127.600 > 85 87 Te 0.29984793649415 0.71206260227699 0.25000000000000 127.600 > 85 88 Te 0.79984793649415 0.71206260227699 0.25000000000000 127.600 > 85 89 Te 0.20015206350585 0.28793739772301 0.75000000000000 127.600 > 89 90 Te 0.70015206350585 0.28793739772301 0.75000000000000 127.600 > 89 91 Te 0.20015206350585 0.78793739772301 0.75000000000000 127.600 > 89 92 Te 0.70015206350585 0.78793739772301 0.75000000000000 127.600 > 89 93 Te 0.20015206350585 0.46206260227699 0.25000000000000 127.600 > 93 94 Te 0.70015206350585 0.46206260227699 0.25000000000000 127.600 > 93 95 Te 0.20015206350585 0.96206260227699 0.25000000000000 127.600 > 93 96 Te 0.70015206350585 0.96206260227699 0.25000000000000 127.600 > 93 97 Nd 0.19442012729179 0.12500000000000 0.50000000000000 144.242 > 97 98 Nd 0.69442012729179 0.12500000000000 0.50000000000000 144.242 > 97 99 Nd 0.19442012729179 0.62500000000000 0.50000000000000 144.242 > 97 100 Nd 0.69442012729179 0.62500000000000 0.50000000000000 144.242 > 97 101 Nd 0.19442012729179 0.12500000000000 0.00000000000000 144.242 > 101 102 Nd 0.69442012729179 0.12500000000000 0.00000000000000 144.242 > 101 103 Nd 0.19442012729179 0.62500000000000 0.00000000000000 144.242 > 101 104 Nd 0.69442012729179 0.62500000000000 0.00000000000000 144.242 > 101 105 Nd 0.30557987270821 0.37500000000000 0.50000000000000 144.242 > 105 106 Nd 0.80557987270821 0.37500000000000 0.50000000000000 144.242 > 105 107 Nd 0.30557987270821 0.87500000000000 0.50000000000000 144.242 > 105 108 Nd 0.80557987270821 0.87500000000000 0.50000000000000 144.242 > 105 109 Nd 0.30557987270821 0.37500000000000 0.00000000000000 144.242 > 109 110 Nd 0.80557987270821 0.37500000000000 0.00000000000000 144.242 > 109 111 Nd 0.30557987270821 0.87500000000000 0.00000000000000 144.242 > 109 112 Nd 0.80557987270821 0.87500000000000 0.00000000000000 144.242 > 109 113 Nd 0.44303410973342 0.23090897949805 0.75000000000000 144.242 > 113 114 Nd 0.94303410973342 0.23090897949805 0.75000000000000 144.242 > 113 115 Nd 0.44303410973342 0.73090897949805 0.75000000000000 144.242 > 113 116 Nd 0.94303410973342 0.73090897949805 0.75000000000000 144.242 > 113 117 Nd 0.44303410973342 0.01909102050195 0.25000000000000 144.242 > 117 118 Nd 0.94303410973342 0.01909102050195 0.25000000000000 144.242 > 117 119 Nd 0.44303410973342 0.51909102050195 0.25000000000000 144.242 > 117 120 Nd 0.94303410973342 0.51909102050195 0.25000000000000 144.242 > 117 121 Nd 0.05696589026658 0.48090897949805 0.75000000000000 144.242 > 121 122 Nd 0.55696589026658 0.48090897949805 0.75000000000000 144.242 > 121 123 Nd 0.05696589026658 0.98090897949805 0.75000000000000 144.242 > 121 124 Nd 0.55696589026658 0.98090897949805 0.75000000000000 144.242 > 121 125 Nd 0.05696589026658 0.26909102050195 0.25000000000000 144.242 > 125 126 Nd 0.55696589026658 0.26909102050195 0.25000000000000 144.242 > 125 127 Nd 0.05696589026658 0.76909102050195 0.25000000000000 144.242 > 125 128 Nd 0.55696589026658 0.76909102050195 0.25000000000000 144.242 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1841067 0.0000000 0.0000000 0.0000000 6.4903266 0.0000000 0.0000000 0.0000000 6.1877240 -------------------------- Born effective charges -------------------------- 1 O -2.1792466 0.3090470 -0.0732958 0.3847193 -2.5020191 -0.0962209 -0.0730964 -0.1199311 -2.5293570 2 O -2.1792466 -0.3090470 0.0732958 -0.3847193 -2.5020191 -0.0962209 0.0730964 -0.1199311 -2.5293570 3 O -2.1792466 -0.3090470 -0.0732958 -0.3847193 -2.5020191 0.0962209 -0.0730964 0.1199311 -2.5293570 4 O -2.1792466 0.3090470 0.0732958 0.3847193 -2.5020191 0.0962209 0.0730964 0.1199311 -2.5293570 5 O -2.1792466 0.3090470 -0.0732958 0.3847193 -2.5020191 -0.0962209 -0.0730964 -0.1199311 -2.5293570 6 O -2.1792466 -0.3090470 0.0732958 -0.3847193 -2.5020191 -0.0962209 0.0730964 -0.1199311 -2.5293570 7 O -2.1792466 -0.3090470 -0.0732958 -0.3847193 -2.5020191 0.0962209 -0.0730964 0.1199311 -2.5293570 8 O -2.1792466 0.3090470 0.0732958 0.3847193 -2.5020191 0.0962209 0.0730964 0.1199311 -2.5293570 9 O -2.8085512 -0.2504008 0.0347925 -0.0713175 -1.9788279 0.2260122 -0.0247317 0.0252094 -2.5544023 10 O -2.8085512 -0.2504008 -0.0347925 -0.0713175 -1.9788279 -0.2260122 0.0247317 -0.0252094 -2.5544023 11 O -2.8085512 0.2504008 0.0347925 0.0713175 -1.9788279 -0.2260122 -0.0247317 -0.0252094 -2.5544023 12 O -2.8085512 -0.2504008 -0.0347925 -0.0713175 -1.9788279 -0.2260122 0.0247317 -0.0252094 -2.5544023 13 O -2.8085512 -0.2504008 0.0347925 -0.0713175 -1.9788279 0.2260122 -0.0247317 0.0252094 -2.5544023 14 O -2.8085512 0.2504008 -0.0347925 0.0713175 -1.9788279 0.2260122 0.0247317 0.0252094 -2.5544023 15 O -2.8085512 0.2504008 0.0347925 0.0713175 -1.9788279 -0.2260122 -0.0247317 -0.0252094 -2.5544023 16 O -2.8085512 0.2504008 -0.0347925 0.0713175 -1.9788279 0.2260122 0.0247317 0.0252094 -2.5544023 17 Si 3.8168660 0.0000000 0.0000000 -0.0000000 2.6213201 0.1757138 0.0000000 -0.0942356 3.8410273 18 Si 3.8168660 0.0000000 0.0000000 -0.0000000 2.6213201 0.1757138 0.0000000 -0.0942356 3.8410273 19 Si 3.8168660 0.0000000 0.0000000 -0.0000000 2.6213201 -0.1757138 0.0000000 0.0942356 3.8410273 20 Si 3.8168660 0.0000000 0.0000000 -0.0000000 2.6213201 -0.1757138 0.0000000 0.0942356 3.8410273 21 Te -2.3451453 -0.0912352 0.0000000 0.0060323 -2.1044841 0.0000000 0.0000000 0.0000000 -2.0146547 22 Te -2.3451453 0.0912352 0.0000000 -0.0060323 -2.1044841 0.0000000 0.0000000 0.0000000 -2.0146547 23 Te -2.3451453 0.0912352 0.0000000 -0.0060323 -2.1044841 0.0000000 0.0000000 0.0000000 -2.0146547 24 Te -2.3451453 -0.0912352 0.0000000 0.0060323 -2.1044841 0.0000000 0.0000000 0.0000000 -2.0146547 25 Nd 3.9495601 0.0000000 0.0000000 -0.0000000 4.4884980 0.2114643 0.0000000 0.1075489 4.6538068 26 Nd 3.9495601 0.0000000 0.0000000 -0.0000000 4.4884980 -0.2114643 0.0000000 -0.1075489 4.6538068 27 Nd 3.9495601 0.0000000 0.0000000 -0.0000000 4.4884980 0.2114643 0.0000000 0.1075489 4.6538068 28 Nd 3.9495601 0.0000000 0.0000000 -0.0000000 4.4884980 -0.2114643 0.0000000 -0.1075489 4.6538068 29 Nd 4.5543147 0.3690418 0.0000000 0.3051686 3.9563601 0.0000000 0.0000000 0.0000000 3.6873393 30 Nd 4.5543147 -0.3690418 0.0000000 -0.3051686 3.9563601 0.0000000 0.0000000 0.0000000 3.6873393 31 Nd 4.5543147 -0.3690418 0.0000000 -0.3051686 3.9563601 0.0000000 0.0000000 0.0000000 3.6873393 32 Nd 4.5543147 0.3690418 0.0000000 0.3051686 3.9563601 0.0000000 0.0000000 0.0000000 3.6873393 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:41:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:41:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.291249680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.160686830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.132167789999999 Atomic positions (fractional): 1 O 0.26982209923736 0.57562434713809 0.46331981003671 15.999 2 O 0.26982209923736 0.92437565286191 0.53668018996329 15.999 3 O 0.73017790076264 0.07562434713809 0.03668018996329 15.999 4 O 0.73017790076264 0.42437565286191 0.96331981003671 15.999 5 O 0.73017790076264 0.42437565286191 0.53668018996329 15.999 6 O 0.73017790076264 0.07562434713809 0.46331981003671 15.999 7 O 0.26982209923736 0.92437565286191 0.96331981003671 15.999 8 O 0.26982209923736 0.57562434713809 0.03668018996329 15.999 9 O 0.05033289857746 0.26870358995001 0.38388336236661 15.999 10 O 0.05033289857746 0.26870358995001 0.11611663763339 15.999 11 O 0.94966710142254 0.76870358995001 0.11611663763339 15.999 12 O 0.94966710142254 0.73129641004999 0.88388336236661 15.999 13 O 0.94966710142254 0.73129641004999 0.61611663763339 15.999 14 O 0.94966710142254 0.76870358995001 0.38388336236661 15.999 15 O 0.05033289857746 0.23129641004999 0.88388336236661 15.999 16 O 0.05033289857746 0.23129641004999 0.61611663763339 15.999 17 Si 0.11326024797022 0.75000000000000 0.00000000000000 28.085 18 Si 0.88673975202978 0.25000000000000 0.00000000000000 28.085 19 Si 0.88673975202978 0.25000000000000 0.50000000000000 28.085 20 Si 0.11326024797022 0.75000000000000 0.50000000000000 28.085 21 Te 0.59969587298831 0.07587479544603 0.75000000000000 127.600 22 Te 0.59969587298831 0.42412520455398 0.25000000000000 127.600 23 Te 0.40030412701169 0.57587479544603 0.75000000000000 127.600 24 Te 0.40030412701169 0.92412520455397 0.25000000000000 127.600 25 Nd 0.38884025458358 0.25000000000000 0.50000000000000 144.242 26 Nd 0.38884025458358 0.25000000000000 0.00000000000000 144.242 27 Nd 0.61115974541643 0.75000000000000 0.50000000000000 144.242 28 Nd 0.61115974541643 0.75000000000000 0.00000000000000 144.242 29 Nd 0.88606821946685 0.46181795899609 0.75000000000000 144.242 30 Nd 0.88606821946685 0.03818204100391 0.25000000000000 144.242 31 Nd 0.11393178053315 0.96181795899609 0.75000000000000 144.242 32 Nd 0.11393178053315 0.53818204100391 0.25000000000000 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.582499360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.321373660000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.132167789999999 Atomic positions (fractional): 1 O 0.13491104961868 0.28781217356904 0.46331981003671 15.999 > 1 2 O 0.63491104961868 0.28781217356904 0.46331981003671 15.999 > 1 3 O 0.13491104961868 0.78781217356904 0.46331981003671 15.999 > 1 4 O 0.63491104961868 0.78781217356904 0.46331981003671 15.999 > 1 5 O 0.13491104961868 0.46218782643096 0.53668018996329 15.999 > 5 6 O 0.63491104961868 0.46218782643096 0.53668018996329 15.999 > 5 7 O 0.13491104961868 0.96218782643096 0.53668018996329 15.999 > 5 8 O 0.63491104961868 0.96218782643096 0.53668018996329 15.999 > 5 9 O 0.36508895038132 0.03781217356904 0.03668018996329 15.999 > 9 10 O 0.86508895038132 0.03781217356904 0.03668018996329 15.999 > 9 11 O 0.36508895038132 0.53781217356904 0.03668018996329 15.999 > 9 12 O 0.86508895038132 0.53781217356904 0.03668018996329 15.999 > 9 13 O 0.36508895038132 0.21218782643096 0.96331981003671 15.999 > 13 14 O 0.86508895038132 0.21218782643096 0.96331981003671 15.999 > 13 15 O 0.36508895038132 0.71218782643096 0.96331981003671 15.999 > 13 16 O 0.86508895038132 0.71218782643096 0.96331981003671 15.999 > 13 17 O 0.36508895038132 0.21218782643096 0.53668018996329 15.999 > 17 18 O 0.86508895038132 0.21218782643096 0.53668018996329 15.999 > 17 19 O 0.36508895038132 0.71218782643096 0.53668018996329 15.999 > 17 20 O 0.86508895038132 0.71218782643096 0.53668018996329 15.999 > 17 21 O 0.36508895038132 0.03781217356904 0.46331981003671 15.999 > 21 22 O 0.86508895038132 0.03781217356904 0.46331981003671 15.999 > 21 23 O 0.36508895038132 0.53781217356904 0.46331981003671 15.999 > 21 24 O 0.86508895038132 0.53781217356904 0.46331981003671 15.999 > 21 25 O 0.13491104961868 0.46218782643096 0.96331981003671 15.999 > 25 26 O 0.63491104961868 0.46218782643096 0.96331981003671 15.999 > 25 27 O 0.13491104961868 0.96218782643096 0.96331981003671 15.999 > 25 28 O 0.63491104961868 0.96218782643096 0.96331981003671 15.999 > 25 29 O 0.13491104961868 0.28781217356904 0.03668018996329 15.999 > 29 30 O 0.63491104961868 0.28781217356904 0.03668018996329 15.999 > 29 31 O 0.13491104961868 0.78781217356904 0.03668018996329 15.999 > 29 32 O 0.63491104961868 0.78781217356904 0.03668018996329 15.999 > 29 33 O 0.02516644928873 0.13435179497500 0.38388336236661 15.999 > 33 34 O 0.52516644928873 0.13435179497500 0.38388336236661 15.999 > 33 35 O 0.02516644928873 0.63435179497500 0.38388336236661 15.999 > 33 36 O 0.52516644928873 0.63435179497500 0.38388336236661 15.999 > 33 37 O 0.02516644928873 0.13435179497500 0.11611663763339 15.999 > 37 38 O 0.52516644928873 0.13435179497500 0.11611663763339 15.999 > 37 39 O 0.02516644928873 0.63435179497500 0.11611663763339 15.999 > 37 40 O 0.52516644928873 0.63435179497500 0.11611663763339 15.999 > 37 41 O 0.47483355071127 0.38435179497500 0.11611663763339 15.999 > 41 42 O 0.97483355071127 0.38435179497500 0.11611663763339 15.999 > 41 43 O 0.47483355071127 0.88435179497500 0.11611663763339 15.999 > 41 44 O 0.97483355071127 0.88435179497500 0.11611663763339 15.999 > 41 45 O 0.47483355071127 0.36564820502500 0.88388336236661 15.999 > 45 46 O 0.97483355071127 0.36564820502500 0.88388336236661 15.999 > 45 47 O 0.47483355071127 0.86564820502500 0.88388336236661 15.999 > 45 48 O 0.97483355071127 0.86564820502500 0.88388336236661 15.999 > 45 49 O 0.47483355071127 0.36564820502500 0.61611663763339 15.999 > 49 50 O 0.97483355071127 0.36564820502500 0.61611663763339 15.999 > 49 51 O 0.47483355071127 0.86564820502500 0.61611663763339 15.999 > 49 52 O 0.97483355071127 0.86564820502500 0.61611663763339 15.999 > 49 53 O 0.47483355071127 0.38435179497500 0.38388336236661 15.999 > 53 54 O 0.97483355071127 0.38435179497500 0.38388336236661 15.999 > 53 55 O 0.47483355071127 0.88435179497500 0.38388336236661 15.999 > 53 56 O 0.97483355071127 0.88435179497500 0.38388336236661 15.999 > 53 57 O 0.02516644928873 0.11564820502500 0.88388336236661 15.999 > 57 58 O 0.52516644928873 0.11564820502500 0.88388336236661 15.999 > 57 59 O 0.02516644928873 0.61564820502500 0.88388336236661 15.999 > 57 60 O 0.52516644928873 0.61564820502500 0.88388336236661 15.999 > 57 61 O 0.02516644928873 0.11564820502500 0.61611663763339 15.999 > 61 62 O 0.52516644928873 0.11564820502500 0.61611663763339 15.999 > 61 63 O 0.02516644928873 0.61564820502500 0.61611663763339 15.999 > 61 64 O 0.52516644928873 0.61564820502500 0.61611663763339 15.999 > 61 65 Si 0.05663012398511 0.37500000000000 0.00000000000000 28.085 > 65 66 Si 0.55663012398511 0.37500000000000 0.00000000000000 28.085 > 65 67 Si 0.05663012398511 0.87500000000000 0.00000000000000 28.085 > 65 68 Si 0.55663012398511 0.87500000000000 0.00000000000000 28.085 > 65 69 Si 0.44336987601489 0.12500000000000 0.00000000000000 28.085 > 69 70 Si 0.94336987601489 0.12500000000000 0.00000000000000 28.085 > 69 71 Si 0.44336987601489 0.62500000000000 0.00000000000000 28.085 > 69 72 Si 0.94336987601489 0.62500000000000 0.00000000000000 28.085 > 69 73 Si 0.44336987601489 0.12500000000000 0.50000000000000 28.085 > 73 74 Si 0.94336987601489 0.12500000000000 0.50000000000000 28.085 > 73 75 Si 0.44336987601489 0.62500000000000 0.50000000000000 28.085 > 73 76 Si 0.94336987601489 0.62500000000000 0.50000000000000 28.085 > 73 77 Si 0.05663012398511 0.37500000000000 0.50000000000000 28.085 > 77 78 Si 0.55663012398511 0.37500000000000 0.50000000000000 28.085 > 77 79 Si 0.05663012398511 0.87500000000000 0.50000000000000 28.085 > 77 80 Si 0.55663012398511 0.87500000000000 0.50000000000000 28.085 > 77 81 Te 0.29984793649415 0.03793739772301 0.75000000000000 127.600 > 81 82 Te 0.79984793649415 0.03793739772301 0.75000000000000 127.600 > 81 83 Te 0.29984793649415 0.53793739772301 0.75000000000000 127.600 > 81 84 Te 0.79984793649415 0.53793739772301 0.75000000000000 127.600 > 81 85 Te 0.29984793649415 0.21206260227699 0.25000000000000 127.600 > 85 86 Te 0.79984793649415 0.21206260227699 0.25000000000000 127.600 > 85 87 Te 0.29984793649415 0.71206260227699 0.25000000000000 127.600 > 85 88 Te 0.79984793649415 0.71206260227699 0.25000000000000 127.600 > 85 89 Te 0.20015206350585 0.28793739772301 0.75000000000000 127.600 > 89 90 Te 0.70015206350585 0.28793739772301 0.75000000000000 127.600 > 89 91 Te 0.20015206350585 0.78793739772301 0.75000000000000 127.600 > 89 92 Te 0.70015206350585 0.78793739772301 0.75000000000000 127.600 > 89 93 Te 0.20015206350585 0.46206260227699 0.25000000000000 127.600 > 93 94 Te 0.70015206350585 0.46206260227699 0.25000000000000 127.600 > 93 95 Te 0.20015206350585 0.96206260227699 0.25000000000000 127.600 > 93 96 Te 0.70015206350585 0.96206260227699 0.25000000000000 127.600 > 93 97 Nd 0.19442012729179 0.12500000000000 0.50000000000000 144.242 > 97 98 Nd 0.69442012729179 0.12500000000000 0.50000000000000 144.242 > 97 99 Nd 0.19442012729179 0.62500000000000 0.50000000000000 144.242 > 97 100 Nd 0.69442012729179 0.62500000000000 0.50000000000000 144.242 > 97 101 Nd 0.19442012729179 0.12500000000000 0.00000000000000 144.242 > 101 102 Nd 0.69442012729179 0.12500000000000 0.00000000000000 144.242 > 101 103 Nd 0.19442012729179 0.62500000000000 0.00000000000000 144.242 > 101 104 Nd 0.69442012729179 0.62500000000000 0.00000000000000 144.242 > 101 105 Nd 0.30557987270821 0.37500000000000 0.50000000000000 144.242 > 105 106 Nd 0.80557987270821 0.37500000000000 0.50000000000000 144.242 > 105 107 Nd 0.30557987270821 0.87500000000000 0.50000000000000 144.242 > 105 108 Nd 0.80557987270821 0.87500000000000 0.50000000000000 144.242 > 105 109 Nd 0.30557987270821 0.37500000000000 0.00000000000000 144.242 > 109 110 Nd 0.80557987270821 0.37500000000000 0.00000000000000 144.242 > 109 111 Nd 0.30557987270821 0.87500000000000 0.00000000000000 144.242 > 109 112 Nd 0.80557987270821 0.87500000000000 0.00000000000000 144.242 > 109 113 Nd 0.44303410973342 0.23090897949805 0.75000000000000 144.242 > 113 114 Nd 0.94303410973342 0.23090897949805 0.75000000000000 144.242 > 113 115 Nd 0.44303410973342 0.73090897949805 0.75000000000000 144.242 > 113 116 Nd 0.94303410973342 0.73090897949805 0.75000000000000 144.242 > 113 117 Nd 0.44303410973342 0.01909102050195 0.25000000000000 144.242 > 117 118 Nd 0.94303410973342 0.01909102050195 0.25000000000000 144.242 > 117 119 Nd 0.44303410973342 0.51909102050195 0.25000000000000 144.242 > 117 120 Nd 0.94303410973342 0.51909102050195 0.25000000000000 144.242 > 117 121 Nd 0.05696589026658 0.48090897949805 0.75000000000000 144.242 > 121 122 Nd 0.55696589026658 0.48090897949805 0.75000000000000 144.242 > 121 123 Nd 0.05696589026658 0.98090897949805 0.75000000000000 144.242 > 121 124 Nd 0.55696589026658 0.98090897949805 0.75000000000000 144.242 > 121 125 Nd 0.05696589026658 0.26909102050195 0.25000000000000 144.242 > 125 126 Nd 0.55696589026658 0.26909102050195 0.25000000000000 144.242 > 125 127 Nd 0.05696589026658 0.76909102050195 0.25000000000000 144.242 > 125 128 Nd 0.55696589026658 0.76909102050195 0.25000000000000 144.242 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1841067 0.0000000 0.0000000 0.0000000 6.4903266 0.0000000 0.0000000 0.0000000 6.1877240 -------------------------- Born effective charges -------------------------- 1 O -2.1792466 0.3090470 -0.0732958 0.3847193 -2.5020191 -0.0962209 -0.0730964 -0.1199311 -2.5293570 2 O -2.1792466 -0.3090470 0.0732958 -0.3847193 -2.5020191 -0.0962209 0.0730964 -0.1199311 -2.5293570 3 O -2.1792466 -0.3090470 -0.0732958 -0.3847193 -2.5020191 0.0962209 -0.0730964 0.1199311 -2.5293570 4 O -2.1792466 0.3090470 0.0732958 0.3847193 -2.5020191 0.0962209 0.0730964 0.1199311 -2.5293570 5 O -2.1792466 0.3090470 -0.0732958 0.3847193 -2.5020191 -0.0962209 -0.0730964 -0.1199311 -2.5293570 6 O -2.1792466 -0.3090470 0.0732958 -0.3847193 -2.5020191 -0.0962209 0.0730964 -0.1199311 -2.5293570 7 O -2.1792466 -0.3090470 -0.0732958 -0.3847193 -2.5020191 0.0962209 -0.0730964 0.1199311 -2.5293570 8 O -2.1792466 0.3090470 0.0732958 0.3847193 -2.5020191 0.0962209 0.0730964 0.1199311 -2.5293570 9 O -2.8085512 -0.2504008 0.0347925 -0.0713175 -1.9788279 0.2260122 -0.0247317 0.0252094 -2.5544023 10 O -2.8085512 -0.2504008 -0.0347925 -0.0713175 -1.9788279 -0.2260122 0.0247317 -0.0252094 -2.5544023 11 O -2.8085512 0.2504008 0.0347925 0.0713175 -1.9788279 -0.2260122 -0.0247317 -0.0252094 -2.5544023 12 O -2.8085512 -0.2504008 -0.0347925 -0.0713175 -1.9788279 -0.2260122 0.0247317 -0.0252094 -2.5544023 13 O -2.8085512 -0.2504008 0.0347925 -0.0713175 -1.9788279 0.2260122 -0.0247317 0.0252094 -2.5544023 14 O -2.8085512 0.2504008 -0.0347925 0.0713175 -1.9788279 0.2260122 0.0247317 0.0252094 -2.5544023 15 O -2.8085512 0.2504008 0.0347925 0.0713175 -1.9788279 -0.2260122 -0.0247317 -0.0252094 -2.5544023 16 O -2.8085512 0.2504008 -0.0347925 0.0713175 -1.9788279 0.2260122 0.0247317 0.0252094 -2.5544023 17 Si 3.8168660 0.0000000 0.0000000 -0.0000000 2.6213201 0.1757138 0.0000000 -0.0942356 3.8410273 18 Si 3.8168660 0.0000000 0.0000000 -0.0000000 2.6213201 0.1757138 0.0000000 -0.0942356 3.8410273 19 Si 3.8168660 0.0000000 0.0000000 -0.0000000 2.6213201 -0.1757138 0.0000000 0.0942356 3.8410273 20 Si 3.8168660 0.0000000 0.0000000 -0.0000000 2.6213201 -0.1757138 0.0000000 0.0942356 3.8410273 21 Te -2.3451453 -0.0912352 0.0000000 0.0060323 -2.1044841 0.0000000 0.0000000 0.0000000 -2.0146547 22 Te -2.3451453 0.0912352 0.0000000 -0.0060323 -2.1044841 0.0000000 0.0000000 0.0000000 -2.0146547 23 Te -2.3451453 0.0912352 0.0000000 -0.0060323 -2.1044841 0.0000000 0.0000000 0.0000000 -2.0146547 24 Te -2.3451453 -0.0912352 0.0000000 0.0060323 -2.1044841 0.0000000 0.0000000 0.0000000 -2.0146547 25 Nd 3.9495601 0.0000000 0.0000000 -0.0000000 4.4884980 0.2114643 0.0000000 0.1075489 4.6538068 26 Nd 3.9495601 0.0000000 0.0000000 -0.0000000 4.4884980 -0.2114643 0.0000000 -0.1075489 4.6538068 27 Nd 3.9495601 0.0000000 0.0000000 -0.0000000 4.4884980 0.2114643 0.0000000 0.1075489 4.6538068 28 Nd 3.9495601 0.0000000 0.0000000 -0.0000000 4.4884980 -0.2114643 0.0000000 -0.1075489 4.6538068 29 Nd 4.5543147 0.3690418 0.0000000 0.3051686 3.9563601 0.0000000 0.0000000 0.0000000 3.6873393 30 Nd 4.5543147 -0.3690418 0.0000000 -0.3051686 3.9563601 0.0000000 0.0000000 0.0000000 3.6873393 31 Nd 4.5543147 -0.3690418 0.0000000 -0.3051686 3.9563601 0.0000000 0.0000000 0.0000000 3.6873393 32 Nd 4.5543147 0.3690418 0.0000000 0.3051686 3.9563601 0.0000000 0.0000000 0.0000000 3.6873393 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 291, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 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 1.332 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.679 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 4.015 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 4.991 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.340 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.673 ( 0.000 0.000 0.000) 0.000 6.676 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.144 ( 0.000 0.000 0.000) 0.000 7.332 ( 0.000 0.000 0.000) 0.000 7.552 ( 0.000 0.000 0.000) 0.000 7.650 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 7.926 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.623 ( 0.000 0.000 0.000) 0.000 8.837 ( 0.000 0.000 0.000) 0.000 8.865 ( 0.000 0.000 0.000) 0.000 9.213 ( 0.000 0.000 0.000) 0.000 9.754 ( 0.000 0.000 0.000) 0.000 10.239 ( 0.000 0.000 0.000) 0.000 10.270 ( 0.000 0.000 0.000) 0.000 10.333 ( 0.000 0.000 0.000) 0.000 10.375 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 0.000 0.000) 0.000 10.806 ( 0.000 0.000 0.000) 0.000 11.660 ( 0.000 0.000 0.000) 0.000 12.439 ( 0.000 0.000 0.000) 0.000 12.568 ( 0.000 0.000 0.000) 0.000 12.676 ( 0.000 0.000 0.000) 0.000 12.749 ( 0.000 0.000 0.000) 0.000 13.252 ( 0.000 0.000 0.000) 0.000 14.087 ( 0.000 0.000 0.000) 0.000 14.735 ( 0.000 0.000 0.000) 0.000 14.785 ( 0.000 0.000 0.000) 0.000 14.879 ( 0.000 0.000 0.000) 0.000 15.130 ( 0.000 0.000 0.000) 0.000 15.524 ( 0.000 0.000 0.000) 0.000 15.723 ( 0.000 0.000 0.000) 0.000 15.726 ( 0.000 0.000 0.000) 0.000 15.749 ( 0.000 0.000 0.000) 0.000 16.463 ( 0.000 0.000 0.000) 0.000 23.692 ( 0.000 0.000 0.000) 0.000 23.697 ( 0.000 0.000 0.000) 0.000 23.916 ( 0.000 0.000 0.000) 0.000 23.976 ( 0.000 0.000 0.000) 0.000 24.012 ( 0.000 0.000 0.000) 0.000 24.113 ( 0.000 0.000 0.000) 0.000 24.528 ( 0.000 0.000 0.000) 0.000 24.599 ( 0.000 0.000 0.000) 0.000 26.487 ( 0.000 0.000 0.000) 0.000 26.661 ( 0.000 0.000 0.000) 0.000 26.742 ( 0.000 0.000 0.000) 0.000 26.743 ( 0.000 0.000 0.000) 0.000 26.787 ( 0.000 0.000 0.000) 0.000 26.843 ( 0.000 0.000 0.000) 0.000 26.868 ( 0.000 0.000 0.000) 0.000 27.690 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 26.874 0.000 0.000) 26.874 0.545 ( 27.206 0.000 0.000) 27.206 1.142 ( 54.994 0.000 0.000) 54.994 1.324 ( -0.729 0.000 0.000) 0.729 1.611 ( -7.578 0.000 0.000) 7.578 1.745 ( 3.350 0.000 0.000) 3.350 1.830 ( 2.958 0.000 0.000) 2.958 2.111 ( 6.948 0.000 0.000) 6.948 2.392 ( 0.490 0.000 0.000) 0.490 2.678 ( 10.552 0.000 0.000) 10.552 2.818 ( -3.037 0.000 0.000) 3.037 2.910 ( 1.002 0.000 0.000) 1.002 2.991 ( -6.967 0.000 0.000) 6.967 2.997 ( -0.538 0.000 0.000) 0.538 3.044 ( -8.311 0.000 0.000) 8.311 3.128 ( 5.980 0.000 0.000) 5.980 3.138 ( -2.301 0.000 0.000) 2.301 3.228 ( 10.600 0.000 0.000) 10.600 3.342 ( 7.011 0.000 0.000) 7.011 3.342 ( -0.889 0.000 0.000) 0.889 3.352 ( 2.866 0.000 0.000) 2.866 3.499 ( 6.890 0.000 0.000) 6.890 3.560 ( 12.520 0.000 0.000) 12.520 3.628 ( 2.506 0.000 0.000) 2.506 3.706 ( 3.437 0.000 0.000) 3.437 3.933 ( 15.685 0.000 0.000) 15.685 3.958 ( 2.319 0.000 0.000) 2.319 3.990 ( -2.658 0.000 0.000) 2.658 4.163 ( -1.323 0.000 0.000) 1.323 4.224 ( 0.803 0.000 0.000) 0.803 4.297 ( -0.450 0.000 0.000) 0.450 4.356 ( 6.957 0.000 0.000) 6.957 4.686 ( -0.831 0.000 0.000) 0.831 4.812 ( 1.611 0.000 0.000) 1.611 5.005 ( 2.887 0.000 0.000) 2.887 5.261 ( 2.263 0.000 0.000) 2.263 6.004 ( -3.499 0.000 0.000) 3.499 6.327 ( -1.302 0.000 0.000) 1.302 6.353 ( -2.152 0.000 0.000) 2.152 6.678 ( 0.180 0.000 0.000) 0.180 6.686 ( 0.954 0.000 0.000) 0.954 6.965 ( 2.997 0.000 0.000) 2.997 7.000 ( -0.579 0.000 0.000) 0.579 7.142 ( -0.205 0.000 0.000) 0.205 7.334 ( -0.054 0.000 0.000) 0.054 7.635 ( 7.027 0.000 0.000) 7.027 7.718 ( 1.622 0.000 0.000) 1.622 7.793 ( -1.820 0.000 0.000) 1.820 7.826 ( -6.654 0.000 0.000) 6.654 7.851 ( -3.511 0.000 0.000) 3.511 8.089 ( 6.978 0.000 0.000) 6.978 8.259 ( -0.223 0.000 0.000) 0.223 8.676 ( 5.021 0.000 0.000) 5.021 8.815 ( -2.235 0.000 0.000) 2.235 8.823 ( -4.152 0.000 0.000) 4.152 9.229 ( 1.624 0.000 0.000) 1.624 9.614 ( -12.292 0.000 0.000) 12.292 9.740 ( -0.672 0.000 0.000) 0.672 10.232 ( -4.151 0.000 0.000) 4.151 10.258 ( 1.491 0.000 0.000) 1.491 10.286 ( -4.176 0.000 0.000) 4.176 10.382 ( 0.803 0.000 0.000) 0.803 10.586 ( 1.858 0.000 0.000) 1.858 10.719 ( -8.314 0.000 0.000) 8.314 11.680 ( 1.918 0.000 0.000) 1.918 12.297 ( -9.873 0.000 0.000) 9.873 12.541 ( -2.674 0.000 0.000) 2.674 12.600 ( -6.983 0.000 0.000) 6.983 12.890 ( 9.839 0.000 0.000) 9.839 13.202 ( -4.886 0.000 0.000) 4.886 13.989 ( -8.668 0.000 0.000) 8.668 14.750 ( -9.125 0.000 0.000) 9.125 14.839 ( 5.037 0.000 0.000) 5.037 14.876 ( -0.306 0.000 0.000) 0.306 15.460 ( -6.153 0.000 0.000) 6.153 15.716 ( -0.904 0.000 0.000) 0.904 15.823 ( 4.433 0.000 0.000) 4.433 15.867 ( 10.444 0.000 0.000) 10.444 15.894 ( 9.453 0.000 0.000) 9.453 16.463 ( -0.091 0.000 0.000) 0.091 23.691 ( -0.114 0.000 0.000) 0.114 23.697 ( 0.050 0.000 0.000) 0.050 23.916 ( -0.013 0.000 0.000) 0.013 23.981 ( -1.473 0.000 0.000) 1.473 24.065 ( 1.832 0.000 0.000) 1.832 24.116 ( 0.236 0.000 0.000) 0.236 24.470 ( -3.726 0.000 0.000) 3.726 24.639 ( 1.831 0.000 0.000) 1.831 26.413 ( -5.344 0.000 0.000) 5.344 26.657 ( -0.378 0.000 0.000) 0.378 26.748 ( 0.537 0.000 0.000) 0.537 26.750 ( -3.408 0.000 0.000) 3.408 26.828 ( -1.518 0.000 0.000) 1.518 26.848 ( 8.211 0.000 0.000) 8.211 27.593 ( -9.076 0.000 0.000) 9.076 28.191 ( 3.181 0.000 0.000) 3.181 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 25.335 0.000 0.000) 25.335 1.075 ( 25.983 0.000 0.000) 25.983 1.308 ( -0.744 0.000 0.000) 0.744 1.482 ( -4.871 0.000 0.000) 4.871 1.825 ( 4.339 0.000 0.000) 4.339 1.892 ( 6.323 0.000 0.000) 6.323 2.163 ( 43.491 0.000 0.000) 43.491 2.210 ( 2.436 0.000 0.000) 2.436 2.430 ( 3.103 0.000 0.000) 3.103 2.753 ( -3.393 0.000 0.000) 3.393 2.792 ( -15.284 0.000 0.000) 15.284 2.841 ( -7.852 0.000 0.000) 7.852 2.843 ( 4.796 0.000 0.000) 4.796 2.921 ( 0.318 0.000 0.000) 0.318 2.984 ( -0.749 0.000 0.000) 0.749 3.140 ( 0.800 0.000 0.000) 0.800 3.259 ( -6.967 0.000 0.000) 6.967 3.299 ( 10.551 0.000 0.000) 10.551 3.400 ( 2.189 0.000 0.000) 2.189 3.423 ( 2.214 0.000 0.000) 2.214 3.522 ( 16.265 0.000 0.000) 16.265 3.675 ( 1.935 0.000 0.000) 1.935 3.739 ( 14.780 0.000 0.000) 14.780 3.785 ( 1.493 0.000 0.000) 1.493 3.867 ( 15.185 0.000 0.000) 15.185 3.951 ( 1.296 0.000 0.000) 1.296 4.026 ( 6.770 0.000 0.000) 6.770 4.086 ( -1.252 0.000 0.000) 1.252 4.163 ( 0.547 0.000 0.000) 0.547 4.281 ( -1.147 0.000 0.000) 1.147 4.382 ( 9.221 0.000 0.000) 9.221 4.517 ( 9.214 0.000 0.000) 9.214 4.719 ( 8.471 0.000 0.000) 8.471 4.850 ( 1.895 0.000 0.000) 1.895 5.170 ( 14.110 0.000 0.000) 14.110 5.343 ( 6.232 0.000 0.000) 6.232 5.938 ( -2.571 0.000 0.000) 2.571 6.292 ( -1.997 0.000 0.000) 1.997 6.304 ( -2.494 0.000 0.000) 2.494 6.681 ( 0.079 0.000 0.000) 0.079 6.698 ( 0.178 0.000 0.000) 0.178 6.979 ( -1.477 0.000 0.000) 1.477 7.041 ( 4.306 0.000 0.000) 4.306 7.142 ( 0.648 0.000 0.000) 0.648 7.324 ( -0.863 0.000 0.000) 0.863 7.672 ( -8.126 0.000 0.000) 8.126 7.705 ( -4.493 0.000 0.000) 4.493 7.760 ( 2.281 0.000 0.000) 2.281 7.796 ( 5.286 0.000 0.000) 5.286 7.804 ( -1.317 0.000 0.000) 1.317 8.222 ( 6.026 0.000 0.000) 6.026 8.242 ( -1.338 0.000 0.000) 1.338 8.710 ( -6.739 0.000 0.000) 6.739 8.753 ( -3.760 0.000 0.000) 3.760 8.804 ( 7.355 0.000 0.000) 7.355 9.273 ( 2.536 0.000 0.000) 2.536 9.286 ( -19.712 0.000 0.000) 19.712 9.753 ( 2.153 0.000 0.000) 2.153 10.089 ( -9.674 0.000 0.000) 9.674 10.208 ( -3.281 0.000 0.000) 3.281 10.283 ( 0.816 0.000 0.000) 0.816 10.406 ( 1.488 0.000 0.000) 1.488 10.511 ( -11.509 0.000 0.000) 11.509 10.604 ( -0.554 0.000 0.000) 0.554 11.731 ( 3.051 0.000 0.000) 3.051 12.126 ( -6.742 0.000 0.000) 6.742 12.441 ( -7.977 0.000 0.000) 7.977 12.469 ( -4.322 0.000 0.000) 4.322 13.065 ( 7.143 0.000 0.000) 7.143 13.072 ( -7.564 0.000 0.000) 7.564 13.804 ( -8.693 0.000 0.000) 8.693 14.581 ( -6.894 0.000 0.000) 6.894 14.868 ( -0.440 0.000 0.000) 0.440 14.959 ( 6.351 0.000 0.000) 6.351 15.301 ( -9.105 0.000 0.000) 9.105 15.693 ( -1.291 0.000 0.000) 1.291 15.883 ( 2.626 0.000 0.000) 2.626 16.095 ( 11.133 0.000 0.000) 11.133 16.126 ( 11.318 0.000 0.000) 11.318 16.457 ( -0.474 0.000 0.000) 0.474 23.688 ( -0.163 0.000 0.000) 0.163 23.700 ( 0.240 0.000 0.000) 0.240 23.914 ( -0.219 0.000 0.000) 0.219 23.965 ( -0.087 0.000 0.000) 0.087 24.091 ( 0.652 0.000 0.000) 0.652 24.122 ( 0.337 0.000 0.000) 0.337 24.413 ( -1.666 0.000 0.000) 1.666 24.642 ( -1.721 0.000 0.000) 1.721 26.316 ( -4.114 0.000 0.000) 4.114 26.648 ( -0.436 0.000 0.000) 0.436 26.668 ( -4.383 0.000 0.000) 4.383 26.761 ( 0.663 0.000 0.000) 0.663 26.787 ( -2.458 0.000 0.000) 2.458 27.013 ( 7.648 0.000 0.000) 7.648 27.379 ( -10.990 0.000 0.000) 10.990 28.267 ( 4.066 0.000 0.000) 4.066 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -0.521 0.000 0.000) 0.521 1.415 ( -1.445 0.000 0.000) 1.445 1.546 ( 22.440 0.000 0.000) 22.440 1.570 ( 22.546 0.000 0.000) 22.546 1.902 ( 3.090 0.000 0.000) 3.090 2.001 ( 4.881 0.000 0.000) 4.881 2.213 ( -2.461 0.000 0.000) 2.461 2.433 ( -4.568 0.000 0.000) 4.568 2.459 ( -17.772 0.000 0.000) 17.772 2.689 ( -5.899 0.000 0.000) 5.899 2.737 ( 3.588 0.000 0.000) 3.588 2.891 ( 0.866 0.000 0.000) 0.866 2.902 ( 27.922 0.000 0.000) 27.922 2.925 ( -0.017 0.000 0.000) 0.017 2.970 ( -0.542 0.000 0.000) 0.542 3.101 ( -8.226 0.000 0.000) 8.226 3.154 ( 0.535 0.000 0.000) 0.535 3.439 ( 1.580 0.000 0.000) 1.580 3.459 ( 2.020 0.000 0.000) 2.020 3.505 ( 8.212 0.000 0.000) 8.212 3.702 ( 0.779 0.000 0.000) 0.779 3.750 ( -2.698 0.000 0.000) 2.698 3.758 ( 7.083 0.000 0.000) 7.083 3.914 ( -1.153 0.000 0.000) 1.153 3.981 ( 0.912 0.000 0.000) 0.912 4.038 ( 5.151 0.000 0.000) 5.151 4.115 ( 7.975 0.000 0.000) 7.975 4.163 ( -0.873 0.000 0.000) 0.873 4.256 ( -1.204 0.000 0.000) 1.204 4.363 ( 19.446 0.000 0.000) 19.446 4.373 ( -5.861 0.000 0.000) 5.861 4.703 ( 8.571 0.000 0.000) 8.571 4.876 ( 0.435 0.000 0.000) 0.435 5.017 ( 15.741 0.000 0.000) 15.741 5.478 ( 5.266 0.000 0.000) 5.266 5.498 ( 15.812 0.000 0.000) 15.812 5.909 ( -0.527 0.000 0.000) 0.527 6.256 ( -1.492 0.000 0.000) 1.492 6.263 ( -1.502 0.000 0.000) 1.502 6.681 ( -0.041 0.000 0.000) 0.041 6.695 ( -0.412 0.000 0.000) 0.412 6.948 ( -1.388 0.000 0.000) 1.388 7.130 ( 4.937 0.000 0.000) 4.937 7.201 ( 6.054 0.000 0.000) 6.054 7.305 ( -0.893 0.000 0.000) 0.893 7.529 ( -5.661 0.000 0.000) 5.661 7.551 ( -10.043 0.000 0.000) 10.043 7.785 ( -0.656 0.000 0.000) 0.656 7.791 ( -0.282 0.000 0.000) 0.282 7.883 ( 2.859 0.000 0.000) 2.859 8.216 ( -0.996 0.000 0.000) 0.996 8.316 ( 3.252 0.000 0.000) 3.252 8.583 ( -5.203 0.000 0.000) 5.203 8.679 ( -3.212 0.000 0.000) 3.212 8.889 ( -18.033 0.000 0.000) 18.033 8.943 ( 5.840 0.000 0.000) 5.840 9.320 ( 1.950 0.000 0.000) 1.950 9.813 ( 3.197 0.000 0.000) 3.197 9.895 ( -8.435 0.000 0.000) 8.435 10.158 ( -1.708 0.000 0.000) 1.708 10.273 ( -3.893 0.000 0.000) 3.893 10.326 ( -3.957 0.000 0.000) 3.957 10.436 ( 1.346 0.000 0.000) 1.346 10.568 ( -2.514 0.000 0.000) 2.514 11.791 ( 2.618 0.000 0.000) 2.618 12.033 ( -2.758 0.000 0.000) 2.758 12.313 ( -4.469 0.000 0.000) 4.469 12.384 ( -3.681 0.000 0.000) 3.681 12.933 ( -5.605 0.000 0.000) 5.605 13.167 ( 3.260 0.000 0.000) 3.260 13.669 ( -4.621 0.000 0.000) 4.621 14.485 ( -2.921 0.000 0.000) 2.921 14.860 ( -0.315 0.000 0.000) 0.315 15.067 ( 4.007 0.000 0.000) 4.007 15.134 ( -6.794 0.000 0.000) 6.794 15.670 ( -0.922 0.000 0.000) 0.922 15.927 ( 1.619 0.000 0.000) 1.619 16.274 ( 6.409 0.000 0.000) 6.409 16.305 ( 6.324 0.000 0.000) 6.324 16.446 ( -0.531 0.000 0.000) 0.531 23.685 ( -0.115 0.000 0.000) 0.115 23.706 ( 0.329 0.000 0.000) 0.329 23.908 ( -0.341 0.000 0.000) 0.341 23.974 ( 0.838 0.000 0.000) 0.838 24.092 ( -0.398 0.000 0.000) 0.398 24.128 ( 0.240 0.000 0.000) 0.240 24.412 ( 1.699 0.000 0.000) 1.699 24.574 ( -4.685 0.000 0.000) 4.685 26.254 ( -2.112 0.000 0.000) 2.112 26.593 ( -2.866 0.000 0.000) 2.866 26.641 ( -0.267 0.000 0.000) 0.267 26.739 ( -2.027 0.000 0.000) 2.027 26.772 ( 0.430 0.000 0.000) 0.430 27.134 ( 4.288 0.000 0.000) 4.288 27.200 ( -6.356 0.000 0.000) 6.356 28.337 ( 2.646 0.000 0.000) 2.646 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.000 0.000 0.000) 0.000 1.400 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.619 ( 0.000 0.000 0.000) 0.000 2.825 ( -0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 2.916 ( -0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 3.515 ( -0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.121 ( -0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.242 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.262 ( -0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.809 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.511 ( -0.000 0.000 0.000) 0.000 5.676 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 6.240 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.689 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 7.218 ( 0.000 0.000 0.000) 0.000 7.295 ( 0.000 0.000 0.000) 0.000 7.310 ( 0.000 0.000 0.000) 0.000 7.394 ( 0.000 0.000 0.000) 0.000 7.469 ( 0.000 0.000 0.000) 0.000 7.749 ( 0.000 0.000 0.000) 0.000 7.788 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 8.206 ( 0.000 0.000 0.000) 0.000 8.348 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 0.000) 0.000 8.656 ( 0.000 0.000 0.000) 0.000 8.674 ( -0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 9.803 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 10.141 ( 0.000 0.000 0.000) 0.000 10.206 ( 0.000 0.000 0.000) 0.000 10.310 ( 0.000 0.000 0.000) 0.000 10.451 ( 0.000 0.000 0.000) 0.000 10.536 ( 0.000 0.000 0.000) 0.000 11.820 ( 0.000 0.000 0.000) 0.000 12.007 ( 0.000 0.000 0.000) 0.000 12.268 ( 0.000 0.000 0.000) 0.000 12.344 ( 0.000 0.000 0.000) 0.000 12.874 ( 0.000 0.000 0.000) 0.000 13.199 ( 0.000 0.000 0.000) 0.000 13.624 ( 0.000 0.000 0.000) 0.000 14.457 ( 0.000 0.000 0.000) 0.000 14.857 ( 0.000 0.000 0.000) 0.000 15.062 ( 0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 0.000) 0.000 15.660 ( 0.000 0.000 0.000) 0.000 15.944 ( 0.000 0.000 0.000) 0.000 16.339 ( 0.000 0.000 0.000) 0.000 16.369 ( 0.000 0.000 0.000) 0.000 16.440 ( 0.000 0.000 0.000) 0.000 23.683 ( 0.000 0.000 0.000) 0.000 23.710 ( 0.000 0.000 0.000) 0.000 23.904 ( 0.000 0.000 0.000) 0.000 23.986 ( -0.000 0.000 0.000) 0.000 24.085 ( 0.000 0.000 0.000) 0.000 24.130 ( 0.000 0.000 0.000) 0.000 24.474 ( -0.000 0.000 0.000) 0.000 24.480 ( 0.000 0.000 0.000) 0.000 26.232 ( 0.000 0.000 0.000) 0.000 26.563 ( 0.000 0.000 0.000) 0.000 26.638 ( 0.000 0.000 0.000) 0.000 26.717 ( 0.000 0.000 0.000) 0.000 26.777 ( 0.000 0.000 0.000) 0.000 27.137 ( 0.000 0.000 0.000) 0.000 27.177 ( 0.000 0.000 0.000) 0.000 28.364 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 0.000 28.655 0.000) 28.655 0.577 ( 0.000 27.882 0.000) 27.882 1.033 ( 0.000 48.392 0.000) 48.392 1.534 ( 0.000 18.233 0.000) 18.233 1.722 ( 0.000 1.201 0.000) 1.201 1.870 ( 0.000 6.433 0.000) 6.433 2.059 ( 0.000 4.589 0.000) 4.589 2.239 ( 0.000 6.395 0.000) 6.395 2.390 ( 0.000 0.124 0.000) 0.124 2.565 ( 0.000 1.353 0.000) 1.353 2.812 ( 0.000 -7.371 0.000) 7.371 2.836 ( 0.000 -3.167 0.000) 3.167 2.932 ( 0.000 -4.611 0.000) 4.611 3.005 ( 0.000 -5.165 0.000) 5.165 3.031 ( 0.000 -7.700 0.000) 7.700 3.052 ( 0.000 -1.238 0.000) 1.238 3.130 ( 0.000 1.469 0.000) 1.469 3.156 ( 0.000 -5.257 0.000) 5.257 3.254 ( 0.000 1.187 0.000) 1.187 3.312 ( 0.000 2.782 0.000) 2.782 3.320 ( 0.000 -2.941 0.000) 2.941 3.388 ( 0.000 -3.740 0.000) 3.740 3.426 ( 0.000 -1.818 0.000) 1.818 3.649 ( 0.000 3.781 0.000) 3.781 3.732 ( 0.000 1.267 0.000) 1.267 3.825 ( 0.000 6.335 0.000) 6.335 3.865 ( 0.000 -6.117 0.000) 6.117 3.984 ( 0.000 -3.288 0.000) 3.288 4.146 ( 0.000 -3.633 0.000) 3.633 4.257 ( 0.000 2.972 0.000) 2.972 4.285 ( 0.000 2.447 0.000) 2.447 4.332 ( 0.000 3.354 0.000) 3.354 4.359 ( 0.000 5.288 0.000) 5.288 4.764 ( 0.000 -3.331 0.000) 3.331 4.952 ( 0.000 -3.478 0.000) 3.478 5.151 ( 0.000 -8.436 0.000) 8.436 6.130 ( 0.000 7.381 0.000) 7.381 6.370 ( 0.000 2.753 0.000) 2.753 6.703 ( 0.000 2.814 0.000) 2.814 6.704 ( 0.000 2.732 0.000) 2.732 6.934 ( 0.000 0.052 0.000) 0.052 7.035 ( 0.000 2.862 0.000) 2.862 7.151 ( 0.000 0.695 0.000) 0.695 7.335 ( 0.000 0.165 0.000) 0.165 7.346 ( 0.000 -3.120 0.000) 3.120 7.465 ( 0.000 -6.888 0.000) 6.888 7.601 ( 0.000 -4.033 0.000) 4.033 7.803 ( 0.000 0.066 0.000) 0.066 7.822 ( 0.000 0.650 0.000) 0.650 7.935 ( 0.000 0.694 0.000) 0.694 8.117 ( 0.000 11.383 0.000) 11.383 8.349 ( 0.000 8.381 0.000) 8.381 8.366 ( 0.000 -4.248 0.000) 4.248 8.540 ( 0.000 -19.944 0.000) 19.944 8.817 ( 0.000 -4.250 0.000) 4.250 8.959 ( 0.000 3.468 0.000) 3.468 9.216 ( 0.000 0.259 0.000) 0.259 9.772 ( 0.000 1.717 0.000) 1.717 10.150 ( 0.000 -10.961 0.000) 10.961 10.270 ( 0.000 1.877 0.000) 1.877 10.313 ( 0.000 -1.841 0.000) 1.841 10.361 ( 0.000 -1.849 0.000) 1.849 10.513 ( 0.000 -4.641 0.000) 4.641 10.768 ( 0.000 -3.632 0.000) 3.632 11.710 ( 0.000 5.343 0.000) 5.343 12.539 ( 0.000 -2.918 0.000) 2.918 12.755 ( 0.000 0.573 0.000) 0.573 12.798 ( 0.000 11.198 0.000) 11.198 12.960 ( 0.000 -7.858 0.000) 7.858 13.484 ( 0.000 15.051 0.000) 15.051 14.030 ( 0.000 -5.579 0.000) 5.579 14.709 ( 0.000 -2.898 0.000) 2.898 14.784 ( 0.000 -0.209 0.000) 0.209 14.855 ( 0.000 -2.283 0.000) 2.283 15.131 ( 0.000 0.383 0.000) 0.383 15.555 ( 0.000 -3.874 0.000) 3.874 15.728 ( 0.000 0.189 0.000) 0.189 15.738 ( 0.000 -0.828 0.000) 0.828 15.794 ( 0.000 6.121 0.000) 6.121 16.446 ( 0.000 -1.804 0.000) 1.804 23.702 ( 0.000 0.607 0.000) 0.607 23.740 ( 0.000 4.469 0.000) 4.469 23.903 ( 0.000 -1.275 0.000) 1.275 23.967 ( 0.000 -0.777 0.000) 0.777 24.005 ( 0.000 -0.654 0.000) 0.654 24.107 ( 0.000 -0.691 0.000) 0.691 24.621 ( 0.000 2.233 0.000) 2.233 25.214 ( 0.000 -3.411 0.000) 3.411 26.461 ( 0.000 -2.041 0.000) 2.041 26.599 ( 0.000 -6.709 0.000) 6.709 26.702 ( 0.000 -6.041 0.000) 6.041 26.722 ( 0.000 5.462 0.000) 5.462 26.764 ( 0.000 -2.235 0.000) 2.235 26.885 ( 0.000 6.517 0.000) 6.517 27.057 ( 0.000 10.663 0.000) 10.663 27.904 ( 0.000 -5.824 0.000) 5.824 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 17.762 19.759 0.000) 26.569 0.842 ( 18.001 21.809 0.000) 28.278 1.478 ( 37.115 28.251 0.000) 46.643 1.520 ( -1.221 17.752 0.000) 17.794 1.756 ( 3.210 1.033 0.000) 3.372 1.817 ( -9.112 9.863 0.000) 13.428 1.943 ( -1.838 11.375 0.000) 11.523 2.176 ( 2.436 4.778 0.000) 5.363 2.445 ( 3.094 5.663 0.000) 6.454 2.681 ( 8.730 -0.090 0.000) 8.730 2.788 ( -2.572 -3.029 0.000) 3.974 2.837 ( -0.017 -6.648 0.000) 6.648 2.924 ( -0.972 -3.778 0.000) 3.901 2.928 ( -4.648 -5.581 0.000) 7.263 3.092 ( 4.344 -2.775 0.000) 5.155 3.106 ( -0.397 -3.620 0.000) 3.641 3.131 ( -2.695 3.421 0.000) 4.355 3.176 ( 6.774 -1.389 0.000) 6.915 3.277 ( 7.570 -5.804 0.000) 9.539 3.319 ( 0.180 -2.095 0.000) 2.103 3.373 ( 3.200 1.793 0.000) 3.668 3.508 ( 9.870 -3.943 0.000) 10.628 3.515 ( 8.318 0.460 0.000) 8.331 3.672 ( 3.410 1.714 0.000) 3.816 3.779 ( 0.289 6.092 0.000) 6.099 3.868 ( 8.619 -4.123 0.000) 9.554 3.901 ( 3.828 -4.380 0.000) 5.817 3.996 ( 1.633 -0.630 0.000) 1.750 4.173 ( 0.185 -0.016 0.000) 0.186 4.260 ( 1.888 3.464 0.000) 3.945 4.336 ( 7.716 -1.079 0.000) 7.791 4.345 ( -1.546 4.299 0.000) 4.568 4.518 ( 8.124 -5.536 0.000) 9.831 4.797 ( 2.377 -3.114 0.000) 3.918 4.979 ( 3.763 -2.465 0.000) 4.498 5.178 ( 2.963 -7.803 0.000) 8.347 6.073 ( -4.678 6.168 0.000) 7.741 6.355 ( -1.465 2.561 0.000) 2.950 6.699 ( -3.566 4.631 0.000) 5.845 6.722 ( -19.166 15.848 0.000) 24.870 6.726 ( 1.629 3.774 0.000) 4.111 6.970 ( 3.391 0.492 0.000) 3.426 7.056 ( -0.946 5.644 0.000) 5.723 7.158 ( 0.089 1.650 0.000) 1.652 7.329 ( -0.338 -0.557 0.000) 0.652 7.502 ( 2.515 -8.837 0.000) 9.187 7.687 ( 1.261 -3.083 0.000) 3.331 7.788 ( -5.907 -3.253 0.000) 6.744 7.788 ( -1.568 0.492 0.000) 1.643 7.970 ( 3.476 4.838 0.000) 5.957 8.148 ( 2.762 7.504 0.000) 7.997 8.279 ( 0.119 1.710 0.000) 1.714 8.511 ( 3.499 -12.545 0.000) 13.024 8.781 ( -3.438 -3.472 0.000) 4.886 8.803 ( 6.422 -10.106 0.000) 11.974 9.074 ( 5.065 -17.403 0.000) 18.125 9.236 ( 1.899 0.437 0.000) 1.949 9.818 ( 2.780 1.332 0.000) 3.083 10.144 ( -0.909 -9.584 0.000) 9.627 10.258 ( -5.198 -2.117 0.000) 5.613 10.279 ( 0.625 1.993 0.000) 2.089 10.344 ( -1.657 -3.146 0.000) 3.556 10.528 ( 1.272 -6.576 0.000) 6.698 10.686 ( -7.863 -3.168 0.000) 8.477 11.723 ( 1.272 4.802 0.000) 4.968 12.474 ( -22.955 8.664 0.000) 24.535 12.513 ( -2.568 -2.804 0.000) 3.803 12.727 ( -6.472 11.551 0.000) 13.241 12.856 ( 4.434 -1.721 0.000) 4.756 13.433 ( -4.506 16.040 0.000) 16.661 13.934 ( -8.408 -5.326 0.000) 9.953 14.689 ( -7.320 -5.614 0.000) 9.225 14.836 ( 4.643 -0.365 0.000) 4.658 14.863 ( 0.667 -1.295 0.000) 1.457 15.417 ( 7.585 -4.683 0.000) 8.914 15.614 ( 8.804 -8.514 0.000) 12.248 15.719 ( -0.593 0.285 0.000) 0.658 15.848 ( 9.563 -1.723 0.000) 9.717 15.891 ( 9.674 2.348 0.000) 9.955 16.448 ( 0.064 -1.791 0.000) 1.792 23.702 ( -0.019 0.605 0.000) 0.606 23.738 ( -0.208 4.327 0.000) 4.332 23.903 ( -0.030 -1.293 0.000) 1.293 23.957 ( -0.373 -1.002 0.000) 1.069 24.043 ( 2.280 -1.472 0.000) 2.714 24.108 ( 0.179 -0.749 0.000) 0.770 24.592 ( -3.973 3.620 0.000) 5.375 24.829 ( -14.955 12.965 0.000) 19.793 26.400 ( -4.693 -1.141 0.000) 4.830 26.598 ( -0.396 -5.876 0.000) 5.889 26.706 ( -2.760 -4.030 0.000) 4.884 26.758 ( 2.451 4.145 0.000) 4.816 26.813 ( -0.538 -2.862 0.000) 2.912 26.944 ( 5.578 6.009 0.000) 8.198 27.385 ( 10.436 -10.627 0.000) 14.894 27.943 ( 6.369 -11.182 0.000) 12.868 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 21.237 11.218 0.000) 24.018 1.225 ( 20.372 13.481 0.000) 24.428 1.495 ( -0.906 17.121 0.000) 17.145 1.600 ( -6.630 9.908 0.000) 11.922 1.835 ( 4.369 0.950 0.000) 4.471 1.992 ( 4.409 8.129 0.000) 9.248 2.197 ( 8.419 1.438 0.000) 8.541 2.293 ( 22.362 8.163 0.000) 23.805 2.547 ( 10.179 11.247 0.000) 15.169 2.716 ( -3.556 -2.502 0.000) 4.349 2.737 ( -7.358 -3.095 0.000) 7.983 2.784 ( -4.293 -5.320 0.000) 6.836 2.896 ( 0.315 2.302 0.000) 2.323 2.905 ( 2.017 -1.018 0.000) 2.259 2.993 ( -2.937 1.281 0.000) 3.204 3.160 ( -1.146 -4.845 0.000) 4.978 3.162 ( 1.658 1.468 0.000) 2.215 3.345 ( 5.233 -0.321 0.000) 5.243 3.366 ( 4.035 -2.539 0.000) 4.767 3.400 ( 4.769 -3.701 0.000) 6.037 3.513 ( 11.647 -1.766 0.000) 11.780 3.622 ( 3.883 -3.025 0.000) 4.923 3.705 ( 5.914 0.654 0.000) 5.950 3.826 ( 6.381 -1.853 0.000) 6.645 3.842 ( 9.718 -3.303 0.000) 10.264 3.924 ( 1.830 1.360 0.000) 2.280 4.056 ( 13.525 1.277 0.000) 13.585 4.084 ( 1.067 -0.913 0.000) 1.405 4.171 ( 0.472 1.527 0.000) 1.598 4.301 ( -2.231 3.172 0.000) 3.878 4.381 ( 7.244 0.521 0.000) 7.263 4.558 ( 11.524 2.366 0.000) 11.765 4.627 ( 7.493 -5.842 0.000) 9.501 4.848 ( 3.805 -1.558 0.000) 4.111 5.149 ( 13.701 -2.158 0.000) 13.870 5.282 ( 7.590 -5.884 0.000) 9.604 5.986 ( -3.386 4.597 0.000) 5.710 6.316 ( -2.290 2.037 0.000) 3.065 6.439 ( -8.383 10.385 0.000) 13.346 6.695 ( -0.471 1.141 0.000) 1.235 6.747 ( 0.336 4.676 0.000) 4.688 7.036 ( -1.381 5.488 0.000) 5.659 7.053 ( 4.496 1.066 0.000) 4.621 7.164 ( 0.831 2.348 0.000) 2.491 7.320 ( -0.685 -0.557 0.000) 0.883 7.534 ( 0.516 -11.786 0.000) 11.797 7.638 ( -8.026 -2.950 0.000) 8.551 7.710 ( 1.115 -4.741 0.000) 4.870 7.731 ( -4.523 1.484 0.000) 4.761 8.056 ( 4.433 10.672 0.000) 11.556 8.208 ( 2.756 -0.235 0.000) 2.766 8.277 ( -0.717 2.415 0.000) 2.520 8.567 ( 1.501 -12.920 0.000) 13.007 8.694 ( -4.733 -0.744 0.000) 4.792 8.874 ( 1.982 -5.053 0.000) 5.428 9.002 ( -8.977 -11.160 0.000) 14.322 9.283 ( 2.636 0.625 0.000) 2.709 9.845 ( 0.896 3.674 0.000) 3.782 10.067 ( -8.030 -2.473 0.000) 8.402 10.163 ( -2.531 -5.247 0.000) 5.825 10.283 ( -0.402 0.747 0.000) 0.849 10.311 ( -1.157 -7.520 0.000) 7.608 10.482 ( -10.762 -2.906 0.000) 11.147 10.545 ( -0.792 -7.334 0.000) 7.377 11.757 ( 1.974 3.403 0.000) 3.934 12.149 ( -10.811 4.297 0.000) 11.634 12.444 ( -4.157 -2.474 0.000) 4.838 12.582 ( -7.114 12.469 0.000) 14.356 12.954 ( 4.418 -4.258 0.000) 6.136 13.318 ( -6.567 14.799 0.000) 16.191 13.756 ( -8.352 -4.714 0.000) 9.591 14.533 ( -6.786 -4.731 0.000) 8.272 14.862 ( -0.126 -0.537 0.000) 0.552 14.954 ( 5.904 -0.652 0.000) 5.940 15.356 ( -7.326 5.180 0.000) 8.972 15.706 ( -0.650 1.264 0.000) 1.421 15.809 ( 7.441 -5.881 0.000) 9.484 16.060 ( 10.564 -3.241 0.000) 11.050 16.114 ( 11.086 -0.633 0.000) 11.104 16.444 ( -0.435 -1.642 0.000) 1.699 23.703 ( 0.165 0.595 0.000) 0.617 23.732 ( -0.304 4.000 0.000) 4.012 23.901 ( -0.228 -1.320 0.000) 1.340 23.957 ( 0.444 -0.462 0.000) 0.641 24.074 ( 0.819 -1.521 0.000) 1.728 24.113 ( 0.249 -0.896 0.000) 0.930 24.489 ( -4.160 5.727 0.000) 7.078 24.686 ( -4.002 4.030 0.000) 5.680 26.311 ( -3.851 -0.380 0.000) 3.870 26.586 ( -0.638 -5.619 0.000) 5.655 26.636 ( -3.849 -2.896 0.000) 4.817 26.772 ( -2.910 -2.044 0.000) 3.556 26.799 ( 1.679 4.467 0.000) 4.772 27.074 ( 6.555 4.568 0.000) 7.990 27.358 ( -6.982 -1.072 0.000) 7.064 28.104 ( 7.374 -12.997 0.000) 14.943 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 0.574 13.528 0.000) 13.540 1.511 ( -2.002 8.534 0.000) 8.765 1.633 ( 18.686 9.029 0.000) 20.753 1.635 ( 19.503 6.510 0.000) 20.561 1.915 ( 3.389 1.284 0.000) 3.624 2.086 ( 4.500 7.572 0.000) 8.808 2.225 ( -1.067 1.075 0.000) 1.514 2.378 ( -7.830 -3.374 0.000) 8.526 2.477 ( -15.837 1.836 0.000) 15.943 2.639 ( -2.982 -4.187 0.000) 5.140 2.762 ( 3.860 -0.625 0.000) 3.910 2.918 ( 5.104 -0.262 0.000) 5.111 2.919 ( 0.895 2.514 0.000) 2.669 2.966 ( -0.538 -0.312 0.000) 0.622 3.041 ( 15.509 11.599 0.000) 19.366 3.067 ( -3.497 -0.522 0.000) 3.536 3.188 ( 0.866 3.119 0.000) 3.237 3.411 ( 1.646 -2.782 0.000) 3.233 3.436 ( 2.415 -3.488 0.000) 4.242 3.541 ( 8.488 0.953 0.000) 8.541 3.580 ( -0.352 -9.701 0.000) 9.707 3.707 ( -1.293 -0.993 0.000) 1.630 3.770 ( 5.647 0.792 0.000) 5.702 3.930 ( 0.505 -2.826 0.000) 2.871 3.981 ( 4.674 -1.188 0.000) 4.822 4.005 ( 2.739 1.863 0.000) 3.312 4.103 ( 2.815 -1.458 0.000) 3.170 4.199 ( 3.330 3.289 0.000) 4.680 4.219 ( -1.046 -3.654 0.000) 3.801 4.399 ( -4.624 2.204 0.000) 5.122 4.451 ( 17.421 8.295 0.000) 19.295 4.697 ( 6.893 -1.127 0.000) 6.985 4.808 ( 3.784 -5.612 0.000) 6.769 5.039 ( 14.348 1.995 0.000) 14.486 5.445 ( 6.602 -3.145 0.000) 7.312 5.464 ( 15.081 -3.664 0.000) 15.520 5.947 ( -0.558 3.921 0.000) 3.961 6.272 ( -1.939 1.265 0.000) 2.315 6.326 ( -3.638 5.325 0.000) 6.449 6.689 ( -0.058 0.443 0.000) 0.446 6.741 ( -0.756 4.661 0.000) 4.722 7.005 ( -1.468 5.405 0.000) 5.601 7.138 ( 3.993 0.363 0.000) 4.010 7.216 ( 4.969 1.696 0.000) 5.251 7.306 ( -0.469 0.101 0.000) 0.480 7.499 ( -5.158 -2.731 0.000) 5.836 7.510 ( -3.948 -10.185 0.000) 10.924 7.621 ( -4.811 0.426 0.000) 4.829 7.727 ( 0.065 -5.265 0.000) 5.266 8.125 ( 2.327 13.279 0.000) 13.481 8.233 ( -4.228 -1.096 0.000) 4.368 8.245 ( 0.893 -6.426 0.000) 6.488 8.569 ( -0.755 -10.020 0.000) 10.048 8.616 ( -2.717 3.173 0.000) 4.178 8.715 ( -11.715 -10.548 0.000) 15.764 8.991 ( 3.856 3.707 0.000) 5.349 9.329 ( 1.707 0.277 0.000) 1.729 9.881 ( 2.571 3.927 0.000) 4.694 9.894 ( -7.631 0.213 0.000) 7.634 10.129 ( -1.231 -3.524 0.000) 3.733 10.247 ( -4.364 -1.575 0.000) 4.640 10.303 ( -4.841 -2.137 0.000) 5.291 10.303 ( 0.151 -11.915 0.000) 11.916 10.513 ( -2.134 -7.138 0.000) 7.450 11.795 ( 1.687 1.863 0.000) 2.513 12.006 ( -4.221 0.868 0.000) 4.309 12.363 ( -3.469 -2.038 0.000) 4.023 12.471 ( -3.812 13.381 0.000) 13.914 13.023 ( 2.745 0.022 0.000) 2.745 13.193 ( -5.652 8.556 0.000) 10.255 13.627 ( -4.418 -4.196 0.000) 6.093 14.438 ( -2.855 -4.652 0.000) 5.458 14.857 ( -0.262 -0.216 0.000) 0.340 15.050 ( 3.490 -1.609 0.000) 3.843 15.214 ( -5.924 7.707 0.000) 9.720 15.696 ( -0.295 2.562 0.000) 2.579 15.911 ( 3.203 -1.316 0.000) 3.463 16.232 ( 6.193 -4.015 0.000) 7.380 16.292 ( 6.340 -1.189 0.000) 6.451 16.433 ( -0.546 -1.577 0.000) 1.669 23.708 ( 0.337 0.581 0.000) 0.671 23.727 ( -0.276 3.680 0.000) 3.690 23.895 ( -0.331 -1.313 0.000) 1.355 23.972 ( 0.884 -0.154 0.000) 0.898 24.079 ( -0.215 -1.243 0.000) 1.262 24.117 ( 0.175 -1.053 0.000) 1.067 24.454 ( 0.555 3.667 0.000) 3.709 24.600 ( -4.836 2.277 0.000) 5.345 26.253 ( -2.004 -0.038 0.000) 2.004 26.569 ( -2.579 -2.154 0.000) 3.360 26.576 ( -0.376 -5.710 0.000) 5.722 26.716 ( -2.352 -2.490 0.000) 3.425 26.825 ( 0.886 5.188 0.000) 5.263 27.181 ( 3.885 3.649 0.000) 5.330 27.228 ( -4.979 2.965 0.000) 5.795 28.213 ( 3.561 -11.214 0.000) 11.766 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.000 14.549 0.000) 14.549 1.491 ( 0.000 8.113 0.000) 8.113 1.884 ( 0.000 2.588 0.000) 2.588 1.928 ( -0.000 3.785 0.000) 3.785 1.986 ( -0.000 3.422 0.000) 3.422 2.116 ( 0.000 1.132 0.000) 1.132 2.148 ( -0.000 8.130 0.000) 8.130 2.225 ( 0.000 4.754 0.000) 4.754 2.285 ( 0.000 -5.280 0.000) 5.280 2.595 ( 0.000 -4.101 0.000) 4.101 2.846 ( -0.000 1.725 0.000) 1.725 2.927 ( 0.000 2.807 0.000) 2.807 2.943 ( 0.000 0.382 0.000) 0.382 2.961 ( 0.000 -0.367 0.000) 0.367 2.973 ( 0.000 0.807 0.000) 0.807 3.196 ( 0.000 3.576 0.000) 3.576 3.254 ( -0.000 4.761 0.000) 4.761 3.431 ( -0.000 -2.548 0.000) 2.548 3.464 ( 0.000 -5.431 0.000) 5.431 3.573 ( -0.000 -11.120 0.000) 11.120 3.633 ( 0.000 10.036 0.000) 10.036 3.712 ( 0.000 -8.043 0.000) 8.043 3.821 ( 0.000 -0.664 0.000) 0.664 3.897 ( 0.000 6.232 0.000) 6.232 4.027 ( 0.000 2.027 0.000) 2.027 4.080 ( 0.000 -3.463 0.000) 3.463 4.089 ( 0.000 -2.508 0.000) 2.508 4.203 ( 0.000 -3.759 0.000) 3.759 4.270 ( -0.000 1.694 0.000) 1.694 4.312 ( 0.000 4.213 0.000) 4.213 4.654 ( 0.000 6.983 0.000) 6.983 4.781 ( 0.000 -2.958 0.000) 2.958 4.835 ( 0.000 -3.089 0.000) 3.089 5.226 ( 0.000 2.414 0.000) 2.414 5.493 ( 0.000 -1.772 0.000) 1.772 5.632 ( 0.000 -4.620 0.000) 4.620 5.949 ( 0.000 4.370 0.000) 4.370 6.250 ( 0.000 0.566 0.000) 0.566 6.288 ( 0.000 3.559 0.000) 3.559 6.689 ( 0.000 0.528 0.000) 0.528 6.730 ( 0.000 4.277 0.000) 4.277 6.989 ( 0.000 5.382 0.000) 5.382 7.194 ( 0.000 -2.038 0.000) 2.038 7.300 ( 0.000 -0.684 0.000) 0.684 7.308 ( 0.000 0.832 0.000) 0.832 7.419 ( 0.000 -1.496 0.000) 1.496 7.456 ( 0.000 -1.555 0.000) 1.555 7.583 ( 0.000 -6.115 0.000) 6.115 7.710 ( 0.000 -3.490 0.000) 3.490 8.148 ( 0.000 13.670 0.000) 13.670 8.158 ( 0.000 -8.070 0.000) 8.070 8.251 ( 0.000 -8.131 0.000) 8.131 8.564 ( 0.000 -9.934 0.000) 9.934 8.588 ( 0.000 -1.132 0.000) 1.132 8.590 ( 0.000 4.782 0.000) 4.782 9.036 ( 0.000 2.493 0.000) 2.493 9.346 ( 0.000 -0.130 0.000) 0.130 9.812 ( 0.000 1.220 0.000) 1.220 9.916 ( 0.000 4.281 0.000) 4.281 10.116 ( 0.000 -2.871 0.000) 2.871 10.182 ( 0.000 -1.783 0.000) 1.783 10.266 ( 0.000 -3.705 0.000) 3.705 10.307 ( 0.000 -13.285 0.000) 13.285 10.487 ( 0.000 -6.476 0.000) 6.476 11.814 ( 0.000 1.177 0.000) 1.177 11.966 ( 0.000 -0.190 0.000) 0.190 12.325 ( 0.000 -1.878 0.000) 1.878 12.433 ( 0.000 13.805 0.000) 13.805 13.066 ( 0.000 15.860 0.000) 15.860 13.117 ( -0.000 -7.886 0.000) 7.886 13.583 ( 0.000 -4.006 0.000) 4.006 14.411 ( -0.000 -4.624 0.000) 4.624 14.854 ( 0.000 -0.170 0.000) 0.170 15.086 ( -0.000 -2.140 0.000) 2.140 15.151 ( 0.000 8.624 0.000) 8.624 15.693 ( 0.000 3.207 0.000) 3.207 15.943 ( 0.000 -0.060 0.000) 0.060 16.295 ( 0.000 -4.227 0.000) 4.227 16.356 ( 0.000 -1.233 0.000) 1.233 16.427 ( 0.000 -1.579 0.000) 1.579 23.713 ( -0.000 0.379 0.000) 0.379 23.723 ( 0.000 3.737 0.000) 3.737 23.891 ( -0.000 -1.295 0.000) 1.295 23.983 ( -0.000 -0.186 0.000) 0.186 24.074 ( -0.000 -1.036 0.000) 1.036 24.119 ( 0.000 -1.119 0.000) 1.119 24.493 ( 0.000 1.753 0.000) 1.753 24.517 ( -0.000 3.263 0.000) 3.263 26.233 ( 0.000 0.069 0.000) 0.069 26.542 ( 0.000 -1.894 0.000) 1.894 26.572 ( -0.000 -5.757 0.000) 5.757 26.691 ( 0.000 -2.648 0.000) 2.648 26.834 ( -0.000 5.471 0.000) 5.471 27.178 ( 0.000 4.051 0.000) 4.051 27.220 ( 0.000 3.369 0.000) 3.369 28.248 ( 0.000 -10.761 0.000) 10.761 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.000 23.229 0.000) 23.229 1.138 ( 0.000 27.574 0.000) 27.574 1.743 ( 0.000 0.291 0.000) 0.291 1.841 ( 0.000 30.268 0.000) 30.268 1.964 ( 0.000 22.853 0.000) 22.853 2.024 ( 0.000 7.696 0.000) 7.696 2.169 ( 0.000 5.686 0.000) 5.686 2.391 ( 0.000 4.672 0.000) 4.672 2.410 ( 0.000 1.983 0.000) 1.983 2.583 ( 0.000 0.078 0.000) 0.078 2.642 ( 0.000 -6.686 0.000) 6.686 2.751 ( 0.000 -4.995 0.000) 4.995 2.848 ( 0.000 -4.119 0.000) 4.119 2.859 ( 0.000 -8.792 0.000) 8.792 2.873 ( 0.000 -7.369 0.000) 7.369 2.965 ( 0.000 -6.666 0.000) 6.666 3.132 ( 0.000 5.170 0.000) 5.170 3.134 ( 0.000 -0.321 0.000) 0.321 3.260 ( 0.000 -1.676 0.000) 1.676 3.268 ( 0.000 -1.618 0.000) 1.618 3.324 ( 0.000 -0.405 0.000) 0.405 3.374 ( 0.000 -3.339 0.000) 3.339 3.386 ( 0.000 4.002 0.000) 4.002 3.700 ( 0.000 0.722 0.000) 0.722 3.721 ( 0.000 -7.391 0.000) 7.391 3.765 ( 0.000 1.814 0.000) 1.814 3.899 ( 0.000 -4.459 0.000) 4.459 3.969 ( 0.000 7.564 0.000) 7.564 4.069 ( 0.000 -5.233 0.000) 5.233 4.336 ( 0.000 4.175 0.000) 4.175 4.359 ( 0.000 5.649 0.000) 5.649 4.365 ( 0.000 -0.528 0.000) 0.528 4.491 ( 0.000 7.551 0.000) 7.551 4.651 ( 0.000 -7.922 0.000) 7.922 4.870 ( 0.000 -4.548 0.000) 4.548 4.938 ( 0.000 -11.861 0.000) 11.861 6.289 ( 0.000 7.548 0.000) 7.548 6.432 ( 0.000 2.906 0.000) 2.906 6.774 ( 0.000 3.978 0.000) 3.978 6.784 ( 0.000 5.247 0.000) 5.247 6.931 ( 0.000 -0.578 0.000) 0.578 7.106 ( 0.000 3.881 0.000) 3.881 7.162 ( 0.000 -0.403 0.000) 0.403 7.257 ( 0.000 -5.036 0.000) 5.036 7.334 ( 0.000 -0.391 0.000) 0.391 7.337 ( 0.000 -4.960 0.000) 4.960 7.534 ( 0.000 -1.741 0.000) 1.741 7.813 ( 0.000 0.753 0.000) 0.753 7.855 ( 0.000 2.941 0.000) 2.941 7.933 ( 0.000 -1.408 0.000) 1.408 8.107 ( 0.000 -21.468 0.000) 21.468 8.250 ( 0.000 -7.258 0.000) 7.258 8.377 ( 0.000 13.803 0.000) 13.803 8.558 ( 0.000 11.998 0.000) 11.998 8.735 ( 0.000 -2.928 0.000) 2.928 9.003 ( 0.000 0.864 0.000) 0.864 9.224 ( 0.000 0.782 0.000) 0.782 9.815 ( 0.000 2.470 0.000) 2.470 9.864 ( 0.000 -16.897 0.000) 16.897 10.223 ( 0.000 -8.359 0.000) 8.359 10.272 ( 0.000 -1.988 0.000) 1.988 10.310 ( 0.000 -2.870 0.000) 2.870 10.446 ( 0.000 0.144 0.000) 0.144 10.675 ( 0.000 -5.291 0.000) 5.291 11.873 ( 0.000 10.461 0.000) 10.461 12.451 ( 0.000 -5.911 0.000) 5.911 12.769 ( 0.000 0.742 0.000) 0.742 12.850 ( 0.000 -3.452 0.000) 3.452 13.072 ( 0.000 15.112 0.000) 15.112 13.797 ( 0.000 16.061 0.000) 16.061 13.874 ( 0.000 -9.869 0.000) 9.869 14.604 ( 0.000 -7.835 0.000) 7.835 14.775 ( 0.000 -0.680 0.000) 0.680 14.801 ( 0.000 -2.739 0.000) 2.739 15.160 ( 0.000 2.766 0.000) 2.766 15.463 ( 0.000 -5.280 0.000) 5.280 15.725 ( 0.000 -0.372 0.000) 0.372 15.731 ( 0.000 0.021 0.000) 0.021 15.946 ( 0.000 8.690 0.000) 8.690 16.388 ( 0.000 -4.103 0.000) 4.103 23.723 ( 0.000 1.534 0.000) 1.534 23.848 ( 0.000 5.819 0.000) 5.819 23.867 ( 0.000 -2.271 0.000) 2.271 23.952 ( 0.000 -0.518 0.000) 0.518 23.987 ( 0.000 -1.078 0.000) 1.078 24.083 ( 0.000 -1.707 0.000) 1.707 24.690 ( 0.000 4.634 0.000) 4.634 25.112 ( 0.000 -6.676 0.000) 6.676 26.420 ( 0.000 -1.824 0.000) 1.824 26.483 ( 0.000 -4.737 0.000) 4.737 26.617 ( 0.000 -2.502 0.000) 2.502 26.705 ( 0.000 -3.436 0.000) 3.436 26.851 ( 0.000 6.801 0.000) 6.801 26.990 ( 0.000 3.698 0.000) 3.698 27.268 ( 0.000 10.173 0.000) 10.173 27.763 ( 0.000 -7.619 0.000) 7.619 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 9.908 20.032 0.000) 22.349 1.300 ( 12.502 23.600 0.000) 26.707 1.771 ( 2.684 0.218 0.000) 2.693 1.944 ( -1.525 22.521 0.000) 22.573 1.962 ( -2.532 13.089 0.000) 13.331 2.019 ( 9.110 14.244 0.000) 16.908 2.159 ( 1.387 6.846 0.000) 6.985 2.278 ( 0.114 5.424 0.000) 5.426 2.594 ( 8.951 3.353 0.000) 9.559 2.662 ( 5.131 -1.672 0.000) 5.396 2.683 ( 0.168 -7.153 0.000) 7.155 2.734 ( 0.041 1.081 0.000) 1.081 2.802 ( -1.771 -5.478 0.000) 5.757 2.850 ( 1.449 -4.542 0.000) 4.768 2.973 ( 8.035 -7.075 0.000) 10.706 3.013 ( 3.520 -6.064 0.000) 7.012 3.175 ( -0.028 1.296 0.000) 1.297 3.201 ( 5.573 2.347 0.000) 6.047 3.228 ( 2.028 4.339 0.000) 4.789 3.274 ( 1.382 -1.379 0.000) 1.952 3.421 ( 5.522 -1.554 0.000) 5.736 3.425 ( 5.227 0.442 0.000) 5.246 3.480 ( 8.944 -3.936 0.000) 9.771 3.641 ( 0.230 -4.170 0.000) 4.176 3.809 ( 1.676 -0.170 0.000) 1.684 3.820 ( 6.110 -4.134 0.000) 7.377 3.907 ( 5.163 2.974 0.000) 5.958 3.981 ( 0.789 1.181 0.000) 1.420 4.142 ( 5.002 -3.220 0.000) 5.949 4.330 ( 1.145 3.243 0.000) 3.440 4.380 ( 4.841 5.527 0.000) 7.348 4.463 ( -2.341 7.561 0.000) 7.916 4.468 ( 6.363 -1.435 0.000) 6.523 4.682 ( 2.524 -8.482 0.000) 8.849 4.912 ( 4.655 -4.259 0.000) 6.309 4.980 ( 4.375 -11.208 0.000) 12.031 6.214 ( -5.906 7.255 0.000) 9.355 6.409 ( -2.265 2.170 0.000) 3.137 6.765 ( -1.838 3.968 0.000) 4.373 6.820 ( 3.406 5.207 0.000) 6.222 6.911 ( -16.410 3.711 0.000) 16.824 6.979 ( 4.294 0.181 0.000) 4.297 7.167 ( 0.624 3.555 0.000) 3.609 7.212 ( -0.166 3.753 0.000) 3.756 7.298 ( -1.299 -2.858 0.000) 3.139 7.366 ( 0.555 -3.831 0.000) 3.871 7.578 ( 0.468 -6.358 0.000) 6.375 7.780 ( -6.549 2.581 0.000) 7.039 7.803 ( -0.965 0.941 0.000) 1.347 7.978 ( 3.857 -2.967 0.000) 4.867 8.138 ( 2.457 -20.017 0.000) 20.167 8.266 ( 2.090 -6.726 0.000) 7.043 8.379 ( 0.190 13.724 0.000) 13.725 8.668 ( 6.836 4.656 0.000) 8.271 8.727 ( -0.716 -1.113 0.000) 1.324 9.015 ( 0.635 1.037 0.000) 1.216 9.241 ( 1.628 0.265 0.000) 1.649 9.835 ( 1.576 0.756 0.000) 1.748 9.865 ( 0.142 -17.121 0.000) 17.122 10.218 ( -5.163 -1.606 0.000) 5.407 10.231 ( 0.652 -9.956 0.000) 9.977 10.279 ( -2.996 -3.095 0.000) 4.308 10.420 ( -2.413 -0.389 0.000) 2.444 10.605 ( -6.713 -4.527 0.000) 8.097 11.875 ( 0.155 9.878 0.000) 9.879 12.428 ( -2.236 -5.690 0.000) 6.113 12.601 ( -15.982 5.115 0.000) 16.781 12.823 ( 1.049 -1.961 0.000) 2.224 13.005 ( -6.030 15.146 0.000) 16.302 13.742 ( -4.997 15.087 0.000) 15.893 13.785 ( -7.721 -9.389 0.000) 12.156 14.539 ( -6.675 -9.291 0.000) 11.440 14.821 ( 3.022 -1.104 0.000) 3.217 14.832 ( 3.561 -1.438 0.000) 3.840 15.355 ( 15.205 -0.453 0.000) 15.212 15.528 ( 4.635 -3.115 0.000) 5.585 15.728 ( 0.446 0.648 0.000) 0.786 15.809 ( 7.210 -1.922 0.000) 7.462 15.980 ( 4.200 6.463 0.000) 7.707 16.388 ( -0.012 -4.225 0.000) 4.225 23.723 ( -0.047 1.520 0.000) 1.520 23.844 ( -0.420 5.766 0.000) 5.781 23.867 ( -0.066 -2.302 0.000) 2.303 23.947 ( -0.090 -0.079 0.000) 0.120 24.010 ( 1.619 -1.740 0.000) 2.377 24.083 ( 0.017 -1.815 0.000) 1.816 24.668 ( -2.365 4.449 0.000) 5.038 24.952 ( -11.839 0.186 0.000) 11.841 26.376 ( -3.536 -1.001 0.000) 3.675 26.482 ( -0.499 -5.182 0.000) 5.206 26.619 ( -1.266 -3.649 0.000) 3.862 26.718 ( 0.409 -5.323 0.000) 5.339 26.876 ( 2.166 6.772 0.000) 7.110 27.041 ( 4.659 3.264 0.000) 5.689 27.354 ( 5.562 4.663 0.000) 7.258 27.768 ( 1.652 -7.654 0.000) 7.831 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 14.102 13.571 0.000) 19.571 1.551 ( 12.690 18.088 0.000) 22.095 1.810 ( -7.300 10.220 0.000) 12.560 1.831 ( 2.582 3.267 0.000) 4.164 1.930 ( 0.930 19.447 0.000) 19.469 2.155 ( 3.731 5.702 0.000) 6.814 2.220 ( 1.567 2.333 0.000) 2.811 2.454 ( 11.431 6.642 0.000) 13.221 2.572 ( -6.109 -7.483 0.000) 9.660 2.673 ( -4.400 -3.039 0.000) 5.347 2.687 ( -3.603 -2.173 0.000) 4.208 2.763 ( 7.748 -0.118 0.000) 7.749 2.899 ( 3.042 -1.538 0.000) 3.408 3.005 ( 15.396 6.719 0.000) 16.798 3.035 ( -3.158 1.757 0.000) 3.614 3.071 ( 1.864 -3.727 0.000) 4.168 3.143 ( 3.653 -3.228 0.000) 4.875 3.313 ( 4.382 0.564 0.000) 4.419 3.321 ( 4.861 0.161 0.000) 4.863 3.351 ( 0.512 -0.434 0.000) 0.671 3.445 ( -0.205 -1.809 0.000) 1.820 3.615 ( 14.239 1.917 0.000) 14.368 3.665 ( 8.772 -5.250 0.000) 10.223 3.753 ( 6.834 -5.031 0.000) 8.486 3.828 ( -0.335 4.164 0.000) 4.177 3.997 ( 11.267 -6.776 0.000) 13.148 4.002 ( 4.667 3.856 0.000) 6.054 4.046 ( 3.380 -2.178 0.000) 4.021 4.217 ( 2.882 2.184 0.000) 3.616 4.406 ( 5.933 1.765 0.000) 6.189 4.448 ( 3.228 10.770 0.000) 11.243 4.553 ( 9.283 0.742 0.000) 9.312 4.582 ( 4.157 -1.654 0.000) 4.474 4.777 ( 10.365 -5.270 0.000) 11.628 5.074 ( 11.838 -5.701 0.000) 13.139 5.124 ( 10.460 -9.447 0.000) 14.095 6.106 ( -4.287 6.897 0.000) 8.121 6.352 ( -3.245 0.915 0.000) 3.372 6.617 ( -12.040 6.557 0.000) 13.710 6.718 ( -2.537 1.044 0.000) 2.744 6.871 ( 1.343 7.239 0.000) 7.362 7.072 ( 4.325 0.531 0.000) 4.358 7.169 ( -0.830 6.798 0.000) 6.848 7.230 ( 1.698 3.807 0.000) 4.168 7.284 ( -0.266 -3.786 0.000) 3.796 7.359 ( -1.032 -4.465 0.000) 4.583 7.529 ( -4.991 -7.510 0.000) 9.018 7.660 ( -4.205 1.067 0.000) 4.338 7.768 ( -2.779 2.069 0.000) 3.465 8.049 ( 2.454 -7.070 0.000) 7.484 8.162 ( -1.072 -17.140 0.000) 17.174 8.310 ( 1.577 -8.967 0.000) 9.105 8.386 ( 0.727 14.299 0.000) 14.317 8.713 ( -0.598 2.709 0.000) 2.774 8.740 ( 0.173 3.522 0.000) 3.527 9.028 ( 1.275 3.470 0.000) 3.697 9.279 ( 1.836 -1.164 0.000) 2.174 9.861 ( 1.078 -1.240 0.000) 1.642 9.869 ( 0.219 -17.479 0.000) 17.480 10.083 ( -7.749 -0.695 0.000) 7.780 10.203 ( -4.190 -3.615 0.000) 5.534 10.233 ( -0.873 -12.440 0.000) 12.471 10.360 ( -3.662 -1.775 0.000) 4.070 10.436 ( -8.950 -2.895 0.000) 9.407 11.879 ( 0.301 8.427 0.000) 8.433 12.306 ( -12.135 10.218 0.000) 15.864 12.368 ( -3.564 -5.073 0.000) 6.200 12.855 ( 1.734 -6.173 0.000) 6.412 12.872 ( -6.446 15.372 0.000) 16.669 13.615 ( -7.274 14.785 0.000) 16.478 13.622 ( -7.590 -8.526 0.000) 11.415 14.396 ( -6.515 -8.948 0.000) 11.069 14.853 ( 0.748 -0.223 0.000) 0.781 14.931 ( 4.855 -1.652 0.000) 5.128 15.483 ( -1.921 6.753 0.000) 7.021 15.708 ( 11.713 -3.672 0.000) 12.275 15.744 ( 1.122 2.528 0.000) 2.765 15.979 ( 8.838 -4.577 0.000) 9.953 16.116 ( 8.384 1.155 0.000) 8.464 16.385 ( -0.395 -4.331 0.000) 4.349 23.722 ( 0.070 1.437 0.000) 1.439 23.833 ( -0.569 5.627 0.000) 5.656 23.864 ( -0.232 -2.319 0.000) 2.331 23.954 ( 0.773 0.214 0.000) 0.802 24.037 ( 0.942 -2.049 0.000) 2.255 24.084 ( 0.012 -2.078 0.000) 2.078 24.596 ( -4.273 4.889 0.000) 6.493 24.760 ( -7.080 2.159 0.000) 7.402 26.306 ( -3.186 -0.000 0.000) 3.186 26.466 ( -0.904 -5.773 0.000) 5.843 26.573 ( -2.833 -2.811 0.000) 3.991 26.693 ( -2.553 -5.389 0.000) 5.963 26.924 ( 2.367 7.301 0.000) 7.675 27.148 ( 5.464 2.253 0.000) 5.910 27.383 ( -2.158 3.977 0.000) 4.524 27.855 ( 5.934 -11.072 0.000) 12.562 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 7.954 9.560 0.000) 12.436 1.704 ( -2.760 9.960 0.000) 10.335 1.815 ( 13.055 10.789 0.000) 16.936 1.880 ( 3.741 7.627 0.000) 8.495 1.996 ( 5.706 13.133 0.000) 14.319 2.199 ( 0.503 -2.805 0.000) 2.850 2.253 ( 0.517 4.464 0.000) 4.494 2.373 ( -7.749 4.118 0.000) 8.775 2.531 ( -10.827 3.259 0.000) 11.307 2.571 ( -3.985 -1.158 0.000) 4.149 2.712 ( 8.940 -2.730 0.000) 9.347 2.912 ( 6.687 -1.063 0.000) 6.771 2.943 ( 0.825 -0.891 0.000) 1.214 2.995 ( -0.072 3.760 0.000) 3.760 3.005 ( -5.224 -3.137 0.000) 6.093 3.238 ( 4.903 -1.361 0.000) 5.089 3.305 ( 9.616 1.348 0.000) 9.710 3.320 ( -1.722 -6.105 0.000) 6.343 3.388 ( 3.737 -1.922 0.000) 4.203 3.415 ( -2.658 -3.164 0.000) 4.132 3.430 ( 3.688 1.072 0.000) 3.841 3.765 ( 1.612 -2.504 0.000) 2.978 3.796 ( -1.040 3.767 0.000) 3.908 3.849 ( 10.387 0.172 0.000) 10.389 3.941 ( 9.652 -1.541 0.000) 9.774 4.048 ( -1.300 -2.293 0.000) 2.636 4.097 ( 1.511 2.792 0.000) 3.175 4.122 ( 1.032 -5.424 0.000) 5.521 4.278 ( 2.970 4.142 0.000) 5.097 4.455 ( -2.814 3.023 0.000) 4.130 4.658 ( 14.713 11.743 0.000) 18.825 4.660 ( 5.491 -1.695 0.000) 5.747 4.694 ( 5.275 -4.922 0.000) 7.215 5.085 ( 16.670 2.183 0.000) 16.813 5.345 ( 13.119 -8.262 0.000) 15.503 5.358 ( 10.266 -5.462 0.000) 11.629 6.057 ( -0.562 6.465 0.000) 6.490 6.288 ( -3.045 -0.055 0.000) 3.046 6.437 ( -6.248 5.288 0.000) 8.185 6.683 ( -0.658 -1.387 0.000) 1.536 6.874 ( -0.835 8.151 0.000) 8.194 7.133 ( 1.742 -0.905 0.000) 1.963 7.141 ( -1.432 7.593 0.000) 7.727 7.270 ( 2.129 3.158 0.000) 3.809 7.281 ( -0.089 -4.863 0.000) 4.864 7.333 ( -1.437 -3.183 0.000) 3.493 7.429 ( -3.701 -4.312 0.000) 5.683 7.615 ( -0.882 -4.680 0.000) 4.763 7.694 ( -4.155 4.552 0.000) 6.163 8.059 ( -9.105 -13.327 0.000) 16.140 8.067 ( -0.201 -9.686 0.000) 9.688 8.323 ( 0.117 -12.477 0.000) 12.478 8.411 ( 1.493 14.908 0.000) 14.983 8.703 ( -0.411 5.294 0.000) 5.310 8.717 ( -1.184 8.892 0.000) 8.970 9.069 ( 2.287 3.769 0.000) 4.409 9.304 ( 0.633 -2.919 0.000) 2.987 9.872 ( -0.066 -13.915 0.000) 13.915 9.892 ( 2.228 -2.828 0.000) 3.600 9.943 ( -5.358 -3.275 0.000) 6.279 10.131 ( -2.668 -4.096 0.000) 4.888 10.187 ( -3.695 -12.715 0.000) 13.241 10.243 ( -6.142 0.612 0.000) 6.173 10.334 ( -2.023 -5.118 0.000) 5.503 11.887 ( 0.414 6.873 0.000) 6.886 12.132 ( -5.541 10.851 0.000) 12.183 12.300 ( -2.935 -4.284 0.000) 5.193 12.771 ( -3.408 15.592 0.000) 15.960 12.888 ( 1.492 -10.413 0.000) 10.519 13.476 ( -6.022 16.094 0.000) 17.183 13.505 ( -3.977 -7.887 0.000) 8.833 14.301 ( -3.003 -9.061 0.000) 9.546 14.858 ( -0.016 0.510 0.000) 0.510 15.004 ( 2.400 -2.952 0.000) 3.804 15.418 ( -3.266 12.003 0.000) 12.439 15.768 ( 1.157 4.558 0.000) 4.702 15.882 ( 5.650 -1.706 0.000) 5.902 16.127 ( 5.475 -6.163 0.000) 8.244 16.264 ( 5.659 -1.409 0.000) 5.831 16.375 ( -0.472 -4.215 0.000) 4.241 23.725 ( 0.185 1.267 0.000) 1.280 23.823 ( -0.421 5.484 0.000) 5.500 23.858 ( -0.273 -2.237 0.000) 2.253 23.972 ( 0.877 0.252 0.000) 0.912 24.047 ( 0.145 -1.795 0.000) 1.801 24.084 ( 0.004 -2.339 0.000) 2.339 24.536 ( -1.228 4.101 0.000) 4.281 24.646 ( -4.798 1.732 0.000) 5.101 26.256 ( -1.699 0.575 0.000) 1.793 26.451 ( -0.540 -6.159 0.000) 6.183 26.522 ( -1.994 -2.056 0.000) 2.864 26.641 ( -2.227 -4.710 0.000) 5.210 26.963 ( 1.431 8.017 0.000) 8.144 27.239 ( 3.321 1.444 0.000) 3.621 27.325 ( -2.680 6.742 0.000) 7.255 27.953 ( 3.395 -13.515 0.000) 13.935 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 0.000 9.686 0.000) 9.686 1.750 ( -0.000 12.729 0.000) 12.729 1.935 ( 0.000 1.933 0.000) 1.933 2.035 ( -0.000 6.155 0.000) 6.155 2.119 ( -0.000 11.010 0.000) 11.010 2.129 ( 0.000 -2.225 0.000) 2.225 2.210 ( 0.000 -0.960 0.000) 0.960 2.340 ( -0.000 10.140 0.000) 10.140 2.360 ( 0.000 8.149 0.000) 8.149 2.520 ( 0.000 -0.832 0.000) 0.832 2.868 ( -0.000 -0.027 0.000) 0.027 2.881 ( 0.000 -4.290 0.000) 4.290 2.946 ( 0.000 -1.177 0.000) 1.177 2.991 ( -0.000 -0.996 0.000) 0.996 3.002 ( -0.000 4.429 0.000) 4.429 3.288 ( 0.000 2.328 0.000) 2.328 3.333 ( 0.000 -8.935 0.000) 8.935 3.356 ( -0.000 -4.868 0.000) 4.868 3.404 ( 0.000 -0.723 0.000) 0.723 3.419 ( -0.000 10.235 0.000) 10.235 3.454 ( -0.000 -14.857 0.000) 14.857 3.776 ( 0.000 -4.656 0.000) 4.656 3.799 ( 0.000 3.666 0.000) 3.666 4.023 ( 0.000 -1.649 0.000) 1.649 4.042 ( -0.000 1.442 0.000) 1.442 4.046 ( 0.000 0.246 0.000) 0.246 4.047 ( 0.000 4.408 0.000) 4.408 4.114 ( 0.000 -4.196 0.000) 4.196 4.308 ( -0.000 2.097 0.000) 2.097 4.401 ( 0.000 3.481 0.000) 3.481 4.716 ( -0.000 -2.355 0.000) 2.355 4.760 ( 0.000 -3.463 0.000) 3.463 4.835 ( 0.000 10.470 0.000) 10.470 5.301 ( 0.000 4.207 0.000) 4.207 5.445 ( 0.000 -2.815 0.000) 2.815 5.492 ( 0.000 -9.159 0.000) 9.159 6.064 ( 0.000 6.329 0.000) 6.329 6.248 ( 0.000 -0.724 0.000) 0.724 6.371 ( 0.000 4.554 0.000) 4.554 6.682 ( -0.000 -1.817 0.000) 1.817 6.859 ( 0.000 8.213 0.000) 8.213 7.127 ( 0.000 7.700 0.000) 7.700 7.148 ( 0.000 -2.412 0.000) 2.412 7.280 ( 0.000 -6.817 0.000) 6.817 7.296 ( 0.000 0.438 0.000) 0.438 7.315 ( 0.000 -0.443 0.000) 0.443 7.405 ( 0.000 -3.304 0.000) 3.304 7.609 ( 0.000 -7.503 0.000) 7.503 7.644 ( 0.000 6.288 0.000) 6.288 7.921 ( 0.000 -9.883 0.000) 9.883 8.062 ( 0.000 -10.124 0.000) 10.124 8.324 ( 0.000 -13.161 0.000) 13.161 8.429 ( 0.000 15.029 0.000) 15.029 8.698 ( 0.000 5.894 0.000) 5.894 8.707 ( 0.000 11.039 0.000) 11.039 9.095 ( 0.000 3.156 0.000) 3.156 9.308 ( 0.000 -3.695 0.000) 3.695 9.863 ( 0.000 3.826 0.000) 3.826 9.896 ( 0.000 -20.489 0.000) 20.489 9.926 ( -0.000 -3.817 0.000) 3.817 10.104 ( 0.000 -4.253 0.000) 4.253 10.133 ( 0.000 -11.984 0.000) 11.984 10.179 ( 0.000 1.811 0.000) 1.811 10.316 ( 0.000 -6.397 0.000) 6.397 11.892 ( 0.000 6.175 0.000) 6.175 12.078 ( 0.000 10.720 0.000) 10.720 12.268 ( 0.000 -3.882 0.000) 3.882 12.738 ( 0.000 15.650 0.000) 15.650 12.905 ( 0.000 -12.733 0.000) 12.733 13.409 ( 0.000 17.524 0.000) 17.524 13.466 ( 0.000 -7.658 0.000) 7.658 14.272 ( -0.000 -9.300 0.000) 9.300 14.857 ( 0.000 0.684 0.000) 0.684 15.027 ( -0.000 -3.556 0.000) 3.556 15.382 ( -0.000 13.786 0.000) 13.786 15.781 ( 0.000 5.403 0.000) 5.403 15.937 ( 0.000 -0.887 0.000) 0.887 16.183 ( 0.000 -6.635 0.000) 6.635 16.322 ( 0.000 -2.015 0.000) 2.015 16.370 ( 0.000 -4.079 0.000) 4.079 23.728 ( -0.000 1.157 0.000) 1.157 23.819 ( 0.000 5.399 0.000) 5.399 23.855 ( -0.000 -2.136 0.000) 2.136 23.982 ( -0.000 0.174 0.000) 0.174 24.047 ( -0.000 -1.558 0.000) 1.558 24.084 ( 0.000 -2.448 0.000) 2.448 24.538 ( 0.000 2.562 0.000) 2.562 24.583 ( -0.000 2.653 0.000) 2.653 26.239 ( 0.000 0.764 0.000) 0.764 26.445 ( 0.000 -6.287 0.000) 6.287 26.502 ( 0.000 -1.763 0.000) 1.763 26.617 ( 0.000 -4.422 0.000) 4.422 26.977 ( 0.000 8.319 0.000) 8.319 27.273 ( 0.000 1.163 0.000) 1.163 27.297 ( 0.000 7.770 0.000) 7.770 27.986 ( 0.000 -14.197 0.000) 14.197 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 0.000 15.519 0.000) 15.519 1.661 ( 0.000 24.332 0.000) 24.332 1.697 ( 0.000 -5.905 0.000) 5.905 2.051 ( 0.000 -10.723 0.000) 10.723 2.249 ( 0.000 12.363 0.000) 12.363 2.261 ( 0.000 3.264 0.000) 3.264 2.312 ( 0.000 -2.691 0.000) 2.691 2.385 ( 0.000 17.926 0.000) 17.926 2.425 ( 0.000 -3.066 0.000) 3.066 2.576 ( 0.000 -0.938 0.000) 0.938 2.621 ( 0.000 0.789 0.000) 0.789 2.666 ( 0.000 -3.060 0.000) 3.060 2.707 ( 0.000 -5.504 0.000) 5.504 2.730 ( 0.000 -7.791 0.000) 7.791 2.758 ( 0.000 -1.715 0.000) 1.715 2.834 ( 0.000 -6.547 0.000) 6.547 3.147 ( 0.000 1.915 0.000) 1.915 3.203 ( 0.000 -3.446 0.000) 3.446 3.235 ( 0.000 2.389 0.000) 2.389 3.300 ( 0.000 -3.858 0.000) 3.858 3.369 ( 0.000 3.433 0.000) 3.433 3.429 ( 0.000 -1.085 0.000) 1.085 3.468 ( 0.000 22.469 0.000) 22.469 3.626 ( 0.000 -0.422 0.000) 0.422 3.673 ( 0.000 -3.025 0.000) 3.025 3.797 ( 0.000 1.371 0.000) 1.371 3.827 ( 0.000 -2.941 0.000) 2.941 3.880 ( 0.000 -14.772 0.000) 14.772 4.120 ( 0.000 7.812 0.000) 7.812 4.282 ( 0.000 -7.672 0.000) 7.672 4.413 ( 0.000 3.763 0.000) 3.763 4.499 ( 0.000 -5.663 0.000) 5.663 4.510 ( 0.000 9.037 0.000) 9.037 4.644 ( 0.000 7.279 0.000) 7.279 4.709 ( 0.000 -10.789 0.000) 10.789 4.771 ( 0.000 -5.501 0.000) 5.501 6.411 ( 0.000 4.491 0.000) 4.491 6.461 ( 0.000 -0.448 0.000) 0.448 6.849 ( 0.000 3.389 0.000) 3.389 6.905 ( 0.000 -2.079 0.000) 2.079 6.911 ( 0.000 7.415 0.000) 7.415 7.069 ( 0.000 -7.802 0.000) 7.802 7.178 ( 0.000 2.952 0.000) 2.952 7.212 ( 0.000 -0.611 0.000) 0.611 7.288 ( 0.000 -0.021 0.000) 0.021 7.313 ( 0.000 -1.678 0.000) 1.678 7.556 ( 0.000 4.537 0.000) 4.537 7.741 ( 0.000 -14.231 0.000) 14.231 7.834 ( 0.000 1.604 0.000) 1.604 7.882 ( 0.000 -3.044 0.000) 3.044 7.946 ( 0.000 6.226 0.000) 6.226 8.093 ( 0.000 -8.058 0.000) 8.058 8.620 ( 0.000 8.893 0.000) 8.893 8.706 ( 0.000 -1.081 0.000) 1.081 8.800 ( 0.000 11.341 0.000) 11.341 8.970 ( 0.000 -4.953 0.000) 4.953 9.282 ( 0.000 6.670 0.000) 6.670 9.520 ( 0.000 -16.159 0.000) 16.159 9.879 ( 0.000 4.441 0.000) 4.441 10.018 ( 0.000 -9.687 0.000) 9.687 10.247 ( 0.000 -0.310 0.000) 0.310 10.261 ( 0.000 -1.722 0.000) 1.722 10.490 ( 0.000 3.392 0.000) 3.392 10.572 ( 0.000 -4.753 0.000) 4.753 12.097 ( 0.000 11.287 0.000) 11.287 12.302 ( 0.000 -9.000 0.000) 9.000 12.784 ( 0.000 0.819 0.000) 0.819 12.805 ( 0.000 -1.421 0.000) 1.421 13.372 ( 0.000 14.632 0.000) 14.632 13.647 ( 0.000 -12.710 0.000) 12.710 14.114 ( 0.000 15.437 0.000) 15.437 14.398 ( 0.000 -12.606 0.000) 12.606 14.760 ( 0.000 -0.608 0.000) 0.608 14.761 ( 0.000 -0.986 0.000) 0.986 15.240 ( 0.000 5.029 0.000) 5.029 15.350 ( 0.000 -5.818 0.000) 5.818 15.724 ( 0.000 0.173 0.000) 0.173 15.728 ( 0.000 -0.219 0.000) 0.219 16.124 ( 0.000 8.705 0.000) 8.705 16.280 ( 0.000 -6.725 0.000) 6.725 23.763 ( 0.000 2.430 0.000) 2.430 23.816 ( 0.000 -2.732 0.000) 2.732 23.951 ( 0.000 0.362 0.000) 0.362 23.956 ( 0.000 4.792 0.000) 4.792 23.965 ( 0.000 -1.014 0.000) 1.014 24.036 ( 0.000 -3.138 0.000) 3.138 24.806 ( 0.000 6.999 0.000) 6.999 24.960 ( 0.000 -8.103 0.000) 8.103 26.397 ( 0.000 -0.311 0.000) 0.311 26.414 ( 0.000 -2.134 0.000) 2.134 26.600 ( 0.000 0.718 0.000) 0.718 26.638 ( 0.000 -2.903 0.000) 2.903 26.970 ( 0.000 4.660 0.000) 4.660 27.024 ( 0.000 -0.499 0.000) 0.499 27.455 ( 0.000 8.520 0.000) 8.520 27.613 ( 0.000 -7.534 0.000) 7.534 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 5.502 13.726 0.000) 14.788 1.729 ( 3.167 -5.261 0.000) 6.140 1.761 ( 8.086 21.832 0.000) 23.281 2.090 ( 1.784 -3.873 0.000) 4.264 2.172 ( -6.947 0.547 0.000) 6.968 2.242 ( -1.634 -5.406 0.000) 5.648 2.321 ( 5.522 11.430 0.000) 12.694 2.361 ( -1.551 17.970 0.000) 18.037 2.529 ( 5.249 -8.400 0.000) 9.905 2.608 ( 1.156 -5.835 0.000) 5.948 2.623 ( 1.321 3.845 0.000) 4.066 2.719 ( 0.821 -3.184 0.000) 3.289 2.759 ( 5.776 -1.762 0.000) 6.039 2.770 ( 5.221 0.723 0.000) 5.271 2.832 ( 7.677 -7.035 0.000) 10.413 2.875 ( 3.789 -7.102 0.000) 8.049 3.215 ( 2.127 2.654 0.000) 3.401 3.268 ( 3.181 2.583 0.000) 4.097 3.268 ( 3.447 -1.627 0.000) 3.811 3.343 ( 3.432 -3.254 0.000) 4.729 3.391 ( 7.039 2.340 0.000) 7.417 3.454 ( 4.510 -1.884 0.000) 4.887 3.548 ( 7.759 20.271 0.000) 21.705 3.600 ( -0.365 2.773 0.000) 2.797 3.712 ( 2.538 -6.486 0.000) 6.965 3.838 ( 3.922 2.294 0.000) 4.543 3.882 ( 4.973 -4.153 0.000) 6.479 3.928 ( 4.252 -10.711 0.000) 11.524 4.161 ( 4.509 7.599 0.000) 8.836 4.343 ( 6.218 -7.354 0.000) 9.631 4.420 ( 1.505 2.489 0.000) 2.908 4.506 ( 0.376 -6.410 0.000) 6.421 4.554 ( 4.496 9.278 0.000) 10.310 4.635 ( -0.076 9.098 0.000) 9.099 4.758 ( 4.973 -10.776 0.000) 11.868 4.801 ( 3.138 -7.057 0.000) 7.723 6.343 ( -5.380 5.385 0.000) 7.612 6.417 ( -3.857 -1.717 0.000) 4.221 6.852 ( -5.300 4.478 0.000) 6.938 6.914 ( 5.117 3.814 0.000) 6.382 6.923 ( -10.776 -1.994 0.000) 10.958 6.968 ( 5.213 -1.546 0.000) 5.437 7.218 ( 2.219 2.335 0.000) 3.221 7.256 ( 2.942 -0.469 0.000) 2.979 7.266 ( -1.600 0.763 0.000) 1.773 7.311 ( -0.467 -2.728 0.000) 2.768 7.529 ( -2.832 3.511 0.000) 4.511 7.711 ( -3.094 -12.603 0.000) 12.977 7.830 ( -0.424 1.995 0.000) 2.039 7.894 ( 0.856 -4.357 0.000) 4.441 7.949 ( 0.474 5.250 0.000) 5.271 8.105 ( 1.135 -8.722 0.000) 8.795 8.631 ( 1.116 9.730 0.000) 9.794 8.726 ( 1.793 -0.548 0.000) 1.875 8.848 ( 3.855 10.217 0.000) 10.920 8.998 ( 2.485 -3.878 0.000) 4.606 9.284 ( 0.056 5.838 0.000) 5.839 9.515 ( -0.488 -16.352 0.000) 16.360 9.866 ( -1.149 3.165 0.000) 3.368 9.998 ( -1.881 -10.361 0.000) 10.530 10.203 ( -4.172 0.238 0.000) 4.179 10.227 ( -3.363 -2.022 0.000) 3.924 10.455 ( -3.307 2.708 0.000) 4.274 10.520 ( -5.003 -3.798 0.000) 6.281 12.088 ( -0.887 10.804 0.000) 10.841 12.285 ( -1.688 -8.660 0.000) 8.823 12.694 ( -8.327 4.245 0.000) 9.346 12.770 ( -2.807 -3.331 0.000) 4.356 13.302 ( -6.217 14.322 0.000) 15.613 13.568 ( -6.874 -12.197 0.000) 14.000 14.041 ( -6.142 14.786 0.000) 16.011 14.319 ( -6.725 -12.714 0.000) 14.383 14.803 ( 3.310 -0.387 0.000) 3.332 14.809 ( 4.201 -0.887 0.000) 4.293 15.386 ( 12.433 3.018 0.000) 12.794 15.458 ( 8.778 -3.844 0.000) 9.583 15.746 ( 2.167 1.179 0.000) 2.467 15.774 ( 4.470 -1.594 0.000) 4.746 16.130 ( 0.875 7.971 0.000) 8.019 16.279 ( -0.053 -6.662 0.000) 6.662 23.762 ( -0.080 2.424 0.000) 2.425 23.815 ( -0.089 -2.743 0.000) 2.744 23.952 ( -0.409 4.861 0.000) 4.878 23.954 ( 0.415 0.798 0.000) 0.900 23.977 ( 0.974 -1.492 0.000) 1.782 24.033 ( -0.213 -3.264 0.000) 3.271 24.772 ( -3.283 5.886 0.000) 6.740 24.889 ( -6.234 -5.314 0.000) 8.192 26.369 ( -2.386 0.472 0.000) 2.432 26.401 ( -1.339 -2.827 0.000) 3.128 26.585 ( -1.517 0.308 0.000) 1.548 26.626 ( -1.223 -3.601 0.000) 3.803 27.000 ( 2.725 5.121 0.000) 5.801 27.064 ( 3.708 -1.076 0.000) 3.861 27.481 ( 1.922 7.113 0.000) 7.368 27.623 ( 1.174 -7.057 0.000) 7.154 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 8.344 9.522 0.000) 12.661 1.814 ( 4.945 -3.512 0.000) 6.065 1.914 ( 6.702 17.478 0.000) 18.719 1.994 ( -6.653 8.357 0.000) 10.682 2.127 ( -1.833 -5.305 0.000) 5.613 2.235 ( 0.637 -10.786 0.000) 10.805 2.339 ( -0.492 18.217 0.000) 18.223 2.448 ( 5.638 5.401 0.000) 7.807 2.577 ( 0.913 -2.265 0.000) 2.442 2.606 ( -1.237 -7.918 0.000) 8.014 2.665 ( 1.718 4.895 0.000) 5.187 2.764 ( 5.280 0.820 0.000) 5.343 2.883 ( 5.493 1.660 0.000) 5.738 2.904 ( 5.113 -5.910 0.000) 7.815 2.968 ( 5.659 -7.813 0.000) 9.647 2.975 ( 6.055 -6.188 0.000) 8.658 3.154 ( -4.199 3.916 0.000) 5.741 3.257 ( -3.601 -6.120 0.000) 7.100 3.344 ( 4.136 3.512 0.000) 5.426 3.424 ( 4.804 -2.422 0.000) 5.380 3.525 ( -0.796 6.402 0.000) 6.451 3.644 ( 6.265 -5.021 0.000) 8.029 3.691 ( 13.209 4.933 0.000) 14.100 3.733 ( 9.651 14.762 0.000) 17.637 3.834 ( 11.913 -8.518 0.000) 14.645 3.910 ( 1.631 3.125 0.000) 3.525 3.974 ( 2.739 -4.095 0.000) 4.927 4.009 ( 4.331 -5.748 0.000) 7.197 4.303 ( 6.739 8.367 0.000) 10.744 4.458 ( 7.878 2.593 0.000) 8.294 4.497 ( -1.521 -6.362 0.000) 6.542 4.559 ( 8.396 -4.400 0.000) 9.479 4.687 ( 6.614 12.381 0.000) 14.037 4.738 ( 16.701 5.850 0.000) 17.696 4.916 ( 9.050 -10.042 0.000) 13.518 4.921 ( 12.238 -10.463 0.000) 16.101 6.240 ( -4.410 6.098 0.000) 7.526 6.334 ( -4.139 -2.928 0.000) 5.070 6.704 ( -10.405 2.548 0.000) 10.713 6.729 ( -6.422 -0.155 0.000) 6.424 7.003 ( 3.134 5.091 0.000) 5.978 7.065 ( 3.758 -1.448 0.000) 4.027 7.237 ( -1.181 0.934 0.000) 1.506 7.258 ( 1.610 2.484 0.000) 2.960 7.297 ( -0.679 -3.400 0.000) 3.467 7.301 ( 1.527 0.154 0.000) 1.535 7.450 ( -4.729 3.899 0.000) 6.129 7.628 ( -4.999 -8.743 0.000) 10.071 7.814 ( -1.283 2.871 0.000) 3.145 7.903 ( -0.145 -6.317 0.000) 6.319 7.956 ( -0.319 2.342 0.000) 2.363 8.116 ( -0.618 -10.202 0.000) 10.221 8.662 ( 1.961 11.366 0.000) 11.534 8.767 ( 2.112 0.755 0.000) 2.243 8.915 ( 2.452 10.399 0.000) 10.684 9.054 ( 2.845 -2.231 0.000) 3.616 9.279 ( -0.622 3.745 0.000) 3.796 9.500 ( -1.001 -17.169 0.000) 17.198 9.839 ( -1.327 0.586 0.000) 1.450 9.952 ( -2.513 -11.412 0.000) 11.686 10.097 ( -5.968 1.687 0.000) 6.202 10.142 ( -4.682 -2.682 0.000) 5.396 10.371 ( -4.846 0.949 0.000) 4.938 10.393 ( -6.935 -1.458 0.000) 7.086 12.065 ( -1.291 9.552 0.000) 9.639 12.240 ( -2.611 -7.734 0.000) 8.163 12.516 ( -8.431 10.245 0.000) 13.268 12.705 ( -3.343 -8.653 0.000) 9.276 13.168 ( -6.448 13.963 0.000) 15.380 13.422 ( -6.869 -11.465 0.000) 13.365 13.908 ( -6.687 14.445 0.000) 15.917 14.180 ( -6.425 -12.486 0.000) 14.042 14.860 ( 2.062 1.033 0.000) 2.306 14.892 ( 3.512 -2.008 0.000) 4.046 15.597 ( 5.933 4.227 0.000) 7.285 15.655 ( 11.001 -2.168 0.000) 11.213 15.806 ( 3.590 3.672 0.000) 5.136 15.888 ( 6.308 -4.444 0.000) 7.716 16.171 ( 3.374 4.403 0.000) 5.547 16.279 ( 0.127 -5.869 0.000) 5.871 23.761 ( -0.072 2.348 0.000) 2.349 23.812 ( -0.185 -2.713 0.000) 2.719 23.942 ( -0.555 5.013 0.000) 5.044 23.967 ( 0.883 1.118 0.000) 1.425 23.997 ( 0.942 -1.824 0.000) 2.053 24.028 ( -0.302 -3.554 0.000) 3.567 24.688 ( -4.701 4.307 0.000) 6.376 24.757 ( -6.286 -2.198 0.000) 6.659 26.319 ( -2.359 1.471 0.000) 2.780 26.370 ( -1.556 -3.711 0.000) 4.023 26.545 ( -2.284 0.325 0.000) 2.307 26.591 ( -2.202 -4.138 0.000) 4.688 27.064 ( 3.284 6.135 0.000) 6.959 27.150 ( 4.397 -2.217 0.000) 4.925 27.501 ( -0.055 7.302 0.000) 7.303 27.661 ( 2.388 -8.687 0.000) 9.010 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 6.372 5.393 0.000) 8.348 1.895 ( -3.216 9.023 0.000) 9.579 1.907 ( 3.920 -1.413 0.000) 4.167 2.016 ( 2.590 4.779 0.000) 5.436 2.099 ( 0.641 -1.949 0.000) 2.052 2.228 ( -1.602 -6.420 0.000) 6.617 2.350 ( 1.705 16.378 0.000) 16.467 2.510 ( 1.275 7.109 0.000) 7.222 2.556 ( -3.708 -3.248 0.000) 4.929 2.585 ( -0.135 -0.204 0.000) 0.245 2.738 ( 5.389 6.469 0.000) 8.420 2.864 ( 3.047 -3.974 0.000) 5.008 2.941 ( 0.070 2.331 0.000) 2.332 2.947 ( 0.663 -0.773 0.000) 1.018 3.044 ( 0.959 -3.770 0.000) 3.890 3.077 ( 4.191 -13.125 0.000) 13.778 3.125 ( 0.710 -0.328 0.000) 0.783 3.213 ( 0.698 -5.686 0.000) 5.728 3.428 ( 4.038 4.955 0.000) 6.392 3.483 ( -2.744 7.220 0.000) 7.724 3.518 ( 3.764 -1.981 0.000) 4.254 3.647 ( -1.392 -8.276 0.000) 8.392 3.848 ( -0.280 6.233 0.000) 6.239 3.945 ( 2.283 0.239 0.000) 2.296 3.955 ( 9.093 2.566 0.000) 9.448 4.005 ( 3.889 2.313 0.000) 4.525 4.025 ( 5.283 -4.193 0.000) 6.744 4.100 ( 3.791 -3.173 0.000) 4.943 4.354 ( 0.127 3.816 0.000) 3.818 4.445 ( -3.295 -4.608 0.000) 5.665 4.654 ( 7.874 2.278 0.000) 8.197 4.674 ( 3.885 0.842 0.000) 3.976 4.902 ( 12.721 12.436 0.000) 17.790 5.131 ( 19.090 3.233 0.000) 19.362 5.144 ( 11.922 -11.490 0.000) 16.558 5.234 ( 15.823 -6.555 0.000) 17.127 6.180 ( -1.552 5.373 0.000) 5.592 6.261 ( -3.020 -2.707 0.000) 4.056 6.536 ( -6.016 4.812 0.000) 7.704 6.627 ( -3.158 -4.032 0.000) 5.121 7.029 ( -0.321 6.066 0.000) 6.075 7.103 ( 0.237 -2.199 0.000) 2.211 7.222 ( -0.415 0.939 0.000) 1.026 7.272 ( -0.382 3.724 0.000) 3.744 7.286 ( -0.541 -3.404 0.000) 3.447 7.324 ( 1.086 -0.726 0.000) 1.307 7.360 ( -3.796 3.384 0.000) 5.085 7.515 ( -6.149 -7.523 0.000) 9.716 7.780 ( -1.929 4.244 0.000) 4.662 7.889 ( -0.953 -7.329 0.000) 7.390 7.923 ( -2.783 2.596 0.000) 3.806 8.085 ( -1.729 -11.119 0.000) 11.253 8.705 ( 2.166 12.414 0.000) 12.602 8.800 ( 0.993 2.657 0.000) 2.837 8.948 ( 1.005 11.938 0.000) 11.980 9.102 ( 1.849 -2.168 0.000) 2.849 9.260 ( -1.109 1.563 0.000) 1.917 9.479 ( -0.998 -18.783 0.000) 18.810 9.823 ( -0.167 -1.986 0.000) 1.993 9.903 ( -2.311 -11.004 0.000) 11.244 9.991 ( -4.095 3.505 0.000) 5.391 10.061 ( -3.037 -3.419 0.000) 4.574 10.266 ( -4.536 1.287 0.000) 4.715 10.290 ( -3.542 -1.229 0.000) 3.750 12.042 ( -0.880 8.098 0.000) 8.146 12.191 ( -2.050 -6.576 0.000) 6.888 12.384 ( -4.533 13.472 0.000) 14.214 12.650 ( -2.013 -12.916 0.000) 13.072 13.068 ( -3.409 13.805 0.000) 14.219 13.316 ( -3.600 -11.034 0.000) 11.606 13.794 ( -4.418 15.437 0.000) 16.056 14.080 ( -3.517 -12.952 0.000) 13.421 14.884 ( 0.533 2.117 0.000) 2.183 14.940 ( 1.354 -3.267 0.000) 3.537 15.657 ( 1.028 10.968 0.000) 11.016 15.822 ( 5.326 -5.198 0.000) 7.442 15.873 ( 2.781 5.877 0.000) 6.502 15.998 ( 4.276 -6.518 0.000) 7.795 16.247 ( 3.512 0.136 0.000) 3.515 16.286 ( 0.514 -3.812 0.000) 3.847 23.760 ( -0.007 2.168 0.000) 2.168 23.809 ( -0.183 -2.583 0.000) 2.590 23.932 ( -0.380 5.151 0.000) 5.165 23.985 ( 0.732 1.018 0.000) 1.254 24.012 ( 0.477 -1.649 0.000) 1.716 24.023 ( -0.212 -3.827 0.000) 3.833 24.610 ( -2.687 3.164 0.000) 4.151 24.654 ( -3.983 -1.020 0.000) 4.111 26.282 ( -1.284 2.104 0.000) 2.465 26.345 ( -0.870 -4.281 0.000) 4.368 26.504 ( -1.586 0.564 0.000) 1.683 26.550 ( -1.671 -3.827 0.000) 4.176 27.119 ( 2.056 7.027 0.000) 7.322 27.223 ( 2.720 -3.121 0.000) 4.140 27.490 ( -0.757 9.538 0.000) 9.568 27.701 ( 1.358 -11.594 0.000) 11.674 ======================= Grid point 31 (20/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.000 8.928 0.000) 8.928 1.907 ( -0.000 4.113 0.000) 4.113 1.950 ( 0.000 -0.541 0.000) 0.541 2.026 ( 0.000 -7.083 0.000) 7.083 2.140 ( -0.000 3.833 0.000) 3.833 2.191 ( 0.000 -1.749 0.000) 1.749 2.387 ( -0.000 12.522 0.000) 12.522 2.495 ( 0.000 2.796 0.000) 2.796 2.521 ( 0.000 7.348 0.000) 7.348 2.582 ( 0.000 3.033 0.000) 3.033 2.825 ( 0.000 0.865 0.000) 0.865 2.859 ( -0.000 -0.413 0.000) 0.413 2.933 ( 0.000 1.335 0.000) 1.335 2.963 ( 0.000 -0.188 0.000) 0.188 3.045 ( 0.000 -6.525 0.000) 6.525 3.119 ( 0.000 -15.257 0.000) 15.257 3.136 ( -0.000 1.533 0.000) 1.533 3.242 ( 0.000 -6.215 0.000) 6.215 3.446 ( -0.000 8.434 0.000) 8.434 3.479 ( 0.000 5.245 0.000) 5.245 3.551 ( 0.000 0.476 0.000) 0.476 3.629 ( 0.000 -9.239 0.000) 9.239 3.835 ( 0.000 3.820 0.000) 3.820 3.941 ( 0.000 -5.191 0.000) 5.191 4.050 ( -0.000 0.262 0.000) 0.262 4.062 ( 0.000 -1.199 0.000) 1.199 4.106 ( -0.000 2.934 0.000) 2.934 4.123 ( 0.000 1.579 0.000) 1.579 4.348 ( 0.000 1.943 0.000) 1.943 4.401 ( 0.000 -2.926 0.000) 2.926 4.713 ( 0.000 1.552 0.000) 1.552 4.732 ( 0.000 -0.049 0.000) 0.049 5.054 ( 0.000 11.337 0.000) 11.337 5.283 ( 0.000 -11.331 0.000) 11.331 5.364 ( -0.000 1.927 0.000) 1.927 5.395 ( 0.000 -1.851 0.000) 1.851 6.171 ( -0.000 3.983 0.000) 3.983 6.225 ( 0.000 -1.686 0.000) 1.686 6.476 ( 0.000 6.089 0.000) 6.089 6.603 ( 0.000 -5.910 0.000) 5.910 7.018 ( 0.000 6.395 0.000) 6.395 7.099 ( 0.000 -2.648 0.000) 2.648 7.218 ( 0.000 0.862 0.000) 0.862 7.260 ( 0.000 5.026 0.000) 5.026 7.279 ( 0.000 -3.286 0.000) 3.286 7.321 ( 0.000 1.405 0.000) 1.405 7.342 ( -0.000 -1.858 0.000) 1.858 7.430 ( 0.000 -7.996 0.000) 7.996 7.757 ( 0.000 5.143 0.000) 5.143 7.878 ( 0.000 -7.692 0.000) 7.692 7.886 ( 0.000 5.201 0.000) 5.201 8.068 ( 0.000 -11.863 0.000) 11.863 8.732 ( 0.000 12.795 0.000) 12.795 8.807 ( 0.000 3.760 0.000) 3.760 8.958 ( 0.000 12.482 0.000) 12.482 9.121 ( 0.000 -2.440 0.000) 2.440 9.247 ( 0.000 0.600 0.000) 0.600 9.468 ( 0.000 -19.804 0.000) 19.804 9.828 ( -0.000 -3.783 0.000) 3.783 9.872 ( 0.000 -9.634 0.000) 9.634 9.949 ( 0.000 4.365 0.000) 4.365 10.030 ( 0.000 -3.756 0.000) 3.756 10.220 ( 0.000 1.825 0.000) 1.825 10.252 ( 0.000 -1.654 0.000) 1.654 12.033 ( 0.000 7.396 0.000) 7.396 12.169 ( 0.000 -5.988 0.000) 5.988 12.339 ( 0.000 14.378 0.000) 14.378 12.630 ( 0.000 -14.477 0.000) 14.477 13.034 ( 0.000 13.751 0.000) 13.751 13.280 ( 0.000 -10.891 0.000) 10.891 13.748 ( 0.000 16.147 0.000) 16.147 14.044 ( 0.000 -13.368 0.000) 13.368 14.888 ( 0.000 2.451 0.000) 2.451 14.952 ( -0.000 -3.743 0.000) 3.743 15.664 ( 0.000 13.377 0.000) 13.377 15.872 ( 0.000 -6.687 0.000) 6.687 15.903 ( 0.000 6.675 0.000) 6.675 16.043 ( 0.000 -7.195 0.000) 7.195 16.285 ( 0.000 -1.298 0.000) 1.298 16.293 ( 0.000 -2.508 0.000) 2.508 23.760 ( 0.000 2.053 0.000) 2.053 23.806 ( 0.000 -2.489 0.000) 2.489 23.928 ( 0.000 5.204 0.000) 5.204 23.992 ( 0.000 0.878 0.000) 0.878 24.016 ( -0.000 -1.454 0.000) 1.454 24.020 ( 0.000 -3.937 0.000) 3.937 24.586 ( 0.000 2.034 0.000) 2.034 24.609 ( -0.000 -0.045 0.000) 0.045 26.269 ( 0.000 2.320 0.000) 2.320 26.336 ( 0.000 -4.473 0.000) 4.473 26.488 ( 0.000 0.668 0.000) 0.668 26.532 ( 0.000 -3.614 0.000) 3.614 27.140 ( 0.000 7.368 0.000) 7.368 27.251 ( 0.000 -3.446 0.000) 3.446 27.481 ( 0.000 10.552 0.000) 10.552 27.714 ( 0.000 -12.763 0.000) 12.763 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.000 0.000 27.073) 27.073 0.642 ( 0.000 0.000 28.305) 28.305 1.157 ( 0.000 0.000 44.811) 44.811 1.572 ( 0.000 0.000 -11.369) 11.369 1.714 ( 0.000 0.000 -0.495) 0.495 1.793 ( 0.000 0.000 -19.330) 19.330 1.802 ( 0.000 0.000 7.567) 7.567 1.823 ( 0.000 0.000 4.767) 4.767 2.173 ( 0.000 0.000 -7.765) 7.765 2.801 ( 0.000 0.000 -11.830) 11.830 2.821 ( 0.000 0.000 10.308) 10.308 2.911 ( 0.000 0.000 5.284) 5.284 2.956 ( 0.000 0.000 -8.020) 8.020 2.961 ( 0.000 0.000 -5.246) 5.246 3.021 ( 0.000 0.000 -3.125) 3.125 3.034 ( 0.000 0.000 3.603) 3.603 3.164 ( 0.000 0.000 3.358) 3.358 3.215 ( 0.000 0.000 0.049) 0.049 3.239 ( 0.000 0.000 -1.828) 1.828 3.281 ( 0.000 0.000 -3.439) 3.439 3.409 ( 0.000 0.000 -2.452) 2.452 3.490 ( 0.000 0.000 5.366) 5.366 3.657 ( 0.000 0.000 14.358) 14.358 3.715 ( 0.000 0.000 -2.362) 2.362 3.786 ( 0.000 0.000 -10.982) 10.982 3.818 ( 0.000 0.000 8.533) 8.533 4.064 ( 0.000 0.000 -1.580) 1.580 4.085 ( 0.000 0.000 4.799) 4.799 4.203 ( 0.000 0.000 -4.434) 4.434 4.231 ( 0.000 0.000 1.346) 1.346 4.240 ( 0.000 0.000 -1.698) 1.698 4.253 ( 0.000 0.000 2.866) 2.866 4.307 ( 0.000 0.000 -0.232) 0.232 4.774 ( 0.000 0.000 -16.957) 16.957 4.861 ( 0.000 0.000 5.104) 5.104 5.156 ( 0.000 0.000 -6.509) 6.509 6.134 ( 0.000 0.000 3.692) 3.692 6.338 ( 0.000 0.000 -3.427) 3.427 6.409 ( 0.000 0.000 5.302) 5.302 6.638 ( 0.000 0.000 -3.281) 3.281 6.712 ( 0.000 0.000 3.419) 3.419 6.946 ( 0.000 0.000 -4.789) 4.789 6.969 ( 0.000 0.000 3.031) 3.031 7.119 ( 0.000 0.000 -2.193) 2.193 7.567 ( 0.000 0.000 1.168) 1.168 7.632 ( 0.000 0.000 -1.427) 1.427 7.813 ( 0.000 0.000 -0.113) 0.113 7.815 ( 0.000 0.000 0.248) 0.248 7.974 ( 0.000 0.000 3.823) 3.823 7.982 ( 0.000 0.000 5.573) 5.573 8.026 ( 0.000 0.000 3.577) 3.577 8.207 ( 0.000 0.000 -3.777) 3.777 8.567 ( 0.000 0.000 -3.661) 3.661 8.644 ( 0.000 0.000 -4.843) 4.843 8.854 ( 0.000 0.000 0.938) 0.938 8.872 ( 0.000 0.000 0.273) 0.273 9.280 ( 0.000 0.000 5.787) 5.787 9.655 ( 0.000 0.000 -7.716) 7.716 10.240 ( 0.000 0.000 0.182) 0.182 10.264 ( 0.000 0.000 -0.545) 0.545 10.445 ( 0.000 0.000 8.347) 8.347 10.483 ( 0.000 0.000 1.726) 1.726 10.553 ( 0.000 0.000 -0.781) 0.781 10.766 ( 0.000 0.000 -3.690) 3.690 12.368 ( 0.000 0.000 0.790) 0.790 12.425 ( 0.000 0.000 -1.184) 1.184 12.595 ( 0.000 0.000 2.244) 2.244 12.723 ( 0.000 0.000 -2.233) 2.233 12.763 ( 0.000 0.000 7.258) 7.258 13.169 ( 0.000 0.000 -6.992) 6.992 14.157 ( 0.000 0.000 6.120) 6.120 14.609 ( 0.000 0.000 -10.152) 10.152 14.822 ( 0.000 0.000 3.115) 3.115 15.038 ( 0.000 0.000 -5.767) 5.767 15.530 ( 0.000 0.000 0.614) 0.614 15.601 ( 0.000 0.000 -2.185) 2.185 15.745 ( 0.000 0.000 1.264) 1.264 15.757 ( 0.000 0.000 0.536) 0.536 15.898 ( 0.000 0.000 12.237) 12.237 16.387 ( 0.000 0.000 -6.650) 6.650 23.733 ( 0.000 0.000 3.114) 3.114 23.913 ( 0.000 0.000 -0.113) 0.113 23.921 ( 0.000 0.000 -3.879) 3.879 23.970 ( 0.000 0.000 -2.692) 2.692 24.198 ( 0.000 0.000 6.419) 6.419 24.369 ( 0.000 0.000 4.264) 4.264 24.514 ( 0.000 0.000 -1.373) 1.373 24.532 ( 0.000 0.000 -5.698) 5.698 26.525 ( 0.000 0.000 3.286) 3.286 26.734 ( 0.000 0.000 -4.222) 4.222 26.755 ( 0.000 0.000 1.030) 1.030 26.761 ( 0.000 0.000 1.407) 1.407 26.831 ( 0.000 0.000 -0.983) 0.983 26.853 ( 0.000 0.000 -1.198) 1.198 27.420 ( 0.000 0.000 4.490) 4.490 27.647 ( 0.000 0.000 -3.666) 3.666 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 16.854 0.000 19.647) 25.885 0.899 ( 17.287 0.000 19.250) 25.873 1.523 ( 0.341 0.000 1.823) 1.855 1.555 ( -7.379 0.000 -5.839) 9.409 1.560 ( 31.047 0.000 27.860) 41.715 1.768 ( -0.317 0.000 2.112) 2.135 1.868 ( 5.078 0.000 9.157) 10.471 2.025 ( 13.251 0.000 -8.689) 15.846 2.189 ( 1.883 0.000 -9.291) 9.480 2.774 ( -4.648 0.000 2.360) 5.213 2.838 ( 2.862 0.000 -5.492) 6.193 2.918 ( -4.453 0.000 -4.846) 6.581 2.942 ( 1.233 0.000 2.596) 2.874 3.031 ( 1.711 0.000 -4.360) 4.684 3.033 ( 1.379 0.000 4.928) 5.118 3.074 ( 12.361 0.000 -5.918) 13.705 3.159 ( -6.716 0.000 5.704) 8.811 3.201 ( 2.560 0.000 1.823) 3.143 3.305 ( 5.865 0.000 -0.793) 5.918 3.344 ( 3.934 0.000 -1.252) 4.129 3.421 ( 1.186 0.000 -2.271) 2.562 3.553 ( -4.360 0.000 10.845) 11.688 3.581 ( 8.729 0.000 2.867) 9.188 3.794 ( -0.802 0.000 3.448) 3.540 3.819 ( 2.604 0.000 -7.979) 8.393 3.822 ( -3.972 0.000 8.057) 8.983 3.900 ( 15.079 0.000 -1.752) 15.180 4.072 ( -2.207 0.000 3.851) 4.439 4.182 ( 1.010 0.000 2.069) 2.302 4.233 ( 0.729 0.000 0.324) 0.798 4.303 ( 5.180 0.000 -4.554) 6.897 4.325 ( 2.439 0.000 2.597) 3.562 4.506 ( 7.291 0.000 -8.522) 11.216 4.800 ( 3.680 0.000 -12.015) 12.566 4.884 ( 2.417 0.000 2.124) 3.218 5.171 ( 1.710 0.000 -6.900) 7.109 6.076 ( -4.270 0.000 4.876) 6.481 6.310 ( -2.460 0.000 -3.761) 4.494 6.399 ( -1.041 0.000 5.544) 5.641 6.639 ( 0.014 0.000 -3.415) 3.415 6.723 ( 0.804 0.000 3.234) 3.332 6.944 ( -0.240 0.000 -4.431) 4.437 6.997 ( 2.552 0.000 2.539) 3.600 7.121 ( 0.244 0.000 -1.756) 1.773 7.526 ( -7.441 0.000 6.206) 9.689 7.588 ( 0.287 0.000 -1.865) 1.887 7.726 ( -0.728 0.000 1.560) 1.721 7.786 ( -2.043 0.000 -0.222) 2.055 7.925 ( -2.498 0.000 5.970) 6.472 7.984 ( 0.768 0.000 9.193) 9.225 8.127 ( 7.183 0.000 3.185) 7.858 8.217 ( 0.131 0.000 -2.902) 2.905 8.614 ( 4.394 0.000 -3.949) 5.907 8.804 ( -1.345 0.000 -2.040) 2.443 8.836 ( -3.513 0.000 0.661) 3.574 9.021 ( 12.489 0.000 -22.633) 25.851 9.301 ( 2.175 0.000 5.340) 5.766 9.651 ( 0.054 0.000 -7.009) 7.009 10.225 ( -0.906 0.000 -0.296) 0.953 10.238 ( -2.487 0.000 -0.200) 2.495 10.379 ( -6.459 0.000 7.430) 9.845 10.477 ( -0.416 0.000 2.773) 2.804 10.574 ( 1.656 0.000 -1.016) 1.943 10.683 ( -7.856 0.000 -3.334) 8.534 12.063 ( -16.233 0.000 12.375) 20.412 12.274 ( -10.526 0.000 -1.928) 10.701 12.633 ( -0.930 0.000 6.437) 6.504 12.676 ( -7.025 0.000 6.390) 9.496 12.858 ( 8.430 0.000 -2.765) 8.872 13.071 ( -6.053 0.000 -8.732) 10.625 14.063 ( -8.198 0.000 6.608) 10.530 14.564 ( -6.250 0.000 -12.372) 13.861 14.891 ( 6.464 0.000 4.437) 7.840 15.038 ( -1.326 0.000 4.676) 4.860 15.465 ( -6.340 0.000 0.508) 6.360 15.592 ( 1.383 0.000 -7.937) 8.056 15.871 ( 10.307 0.000 0.295) 10.311 15.878 ( 11.395 0.000 -0.209) 11.397 15.931 ( 1.473 0.000 10.428) 10.531 16.389 ( 0.092 0.000 -6.436) 6.436 23.733 ( -0.023 0.000 3.062) 3.062 23.904 ( -2.705 0.000 1.624) 3.155 23.913 ( 0.041 0.000 -0.148) 0.154 23.927 ( -2.760 0.000 -2.066) 3.447 24.159 ( -5.736 0.000 9.531) 11.124 24.220 ( -1.853 0.000 8.119) 8.328 24.441 ( -4.047 0.000 -2.800) 4.921 24.576 ( 1.143 0.000 -5.293) 5.415 26.439 ( -5.689 0.000 2.186) 6.094 26.573 ( -4.535 0.000 -3.554) 5.761 26.744 ( -1.213 0.000 1.129) 1.657 26.812 ( -1.226 0.000 -1.230) 1.736 26.896 ( 9.472 0.000 3.854) 10.226 26.934 ( -0.472 0.000 7.481) 7.495 27.559 ( -8.059 0.000 -2.620) 8.475 27.744 ( 18.148 0.000 -20.182) 27.142 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 21.339 0.000 10.937) 23.978 1.229 ( 14.009 0.000 7.698) 15.985 1.447 ( -3.594 0.000 -2.981) 4.669 1.492 ( 2.361 0.000 12.136) 12.363 1.813 ( 4.633 0.000 0.362) 4.647 1.948 ( 6.101 0.000 4.788) 7.756 2.180 ( 2.530 0.000 -3.092) 3.995 2.312 ( 9.884 0.000 -10.118) 14.145 2.353 ( 36.352 0.000 15.914) 39.683 2.658 ( -6.958 0.000 -1.531) 7.125 2.798 ( -6.880 0.000 -3.293) 7.627 2.876 ( 0.353 0.000 -0.785) 0.861 2.914 ( -12.504 0.000 7.967) 14.827 2.970 ( 2.258 0.000 1.328) 2.620 3.030 ( -0.855 0.000 3.210) 3.322 3.161 ( 6.114 0.000 -5.636) 8.316 3.237 ( 0.529 0.000 4.703) 4.733 3.331 ( -4.046 0.000 5.375) 6.728 3.379 ( 2.315 0.000 -1.898) 2.994 3.428 ( 16.537 0.000 -6.348) 17.714 3.437 ( 2.572 0.000 3.403) 4.265 3.668 ( 8.542 0.000 0.245) 8.546 3.801 ( 2.003 0.000 -1.203) 2.337 3.809 ( 10.964 0.000 -3.877) 11.629 3.828 ( 5.097 0.000 3.543) 6.207 3.880 ( 4.366 0.000 -4.048) 5.954 4.044 ( -0.652 0.000 -2.857) 2.931 4.053 ( 2.498 0.000 -0.662) 2.584 4.201 ( 0.654 0.000 2.838) 2.912 4.341 ( 1.817 0.000 2.638) 3.203 4.433 ( 9.308 0.000 3.874) 10.082 4.468 ( 10.967 0.000 -2.535) 11.256 4.623 ( 10.790 0.000 -4.246) 11.595 4.879 ( 2.324 0.000 1.995) 3.063 5.033 ( 14.146 0.000 -9.652) 17.125 5.238 ( 5.308 0.000 -8.237) 9.799 6.003 ( -2.637 0.000 5.107) 5.748 6.257 ( -2.459 0.000 -4.040) 4.730 6.370 ( -1.709 0.000 6.067) 6.303 6.637 ( -0.163 0.000 -3.791) 3.795 6.733 ( 0.102 0.000 2.989) 2.991 6.931 ( -1.074 0.000 -3.942) 4.086 7.061 ( 3.628 0.000 1.608) 3.968 7.131 ( 1.025 0.000 -0.921) 1.378 7.419 ( -3.601 0.000 5.102) 6.245 7.531 ( -5.051 0.000 -3.985) 6.434 7.734 ( 0.770 0.000 -0.337) 0.841 7.762 ( -1.087 0.000 -0.136) 1.096 7.898 ( -0.515 0.000 6.242) 6.263 8.006 ( 0.470 0.000 13.403) 13.411 8.192 ( -2.497 0.000 -3.337) 4.168 8.270 ( 6.735 0.000 3.871) 7.768 8.693 ( -1.033 0.000 -2.308) 2.528 8.745 ( -3.877 0.000 -0.835) 3.966 8.770 ( 1.372 0.000 -1.633) 2.133 9.019 ( -10.433 0.000 -17.647) 20.500 9.349 ( 2.500 0.000 5.684) 6.209 9.675 ( 2.532 0.000 -6.103) 6.607 10.159 ( -7.098 0.000 3.803) 8.052 10.222 ( 0.490 0.000 -2.394) 2.444 10.224 ( -6.420 0.000 2.571) 6.916 10.435 ( -7.391 0.000 -1.604) 7.563 10.521 ( -3.773 0.000 1.973) 4.257 10.595 ( 0.061 0.000 -0.784) 0.786 11.873 ( -4.112 0.000 8.309) 9.271 12.092 ( -7.064 0.000 -2.684) 7.556 12.517 ( -7.919 0.000 6.326) 10.136 12.575 ( -3.844 0.000 8.574) 9.396 12.952 ( -6.283 0.000 -8.937) 10.925 12.998 ( 5.234 0.000 -5.651) 7.702 13.888 ( -8.336 0.000 7.278) 11.066 14.415 ( -7.093 0.000 -12.491) 14.364 14.985 ( -3.201 0.000 7.731) 8.368 15.038 ( 7.111 0.000 5.936) 9.263 15.307 ( -8.468 0.000 1.041) 8.532 15.652 ( 3.573 0.000 -8.223) 8.965 15.941 ( 0.040 0.000 8.921) 8.922 16.098 ( 11.105 0.000 0.244) 11.108 16.119 ( 11.298 0.000 -0.471) 11.307 16.386 ( -0.413 0.000 -6.233) 6.246 23.733 ( -0.056 0.000 2.758) 2.758 23.836 ( -2.464 0.000 8.838) 9.175 23.903 ( -0.620 0.000 -3.994) 4.042 23.916 ( 0.231 0.000 0.190) 0.299 24.096 ( -1.394 0.000 2.532) 2.891 24.217 ( 0.287 0.000 6.417) 6.424 24.375 ( -2.283 0.000 -3.496) 4.176 24.564 ( -2.196 0.000 -6.507) 6.868 26.344 ( -3.709 0.000 2.391) 4.412 26.522 ( -1.573 0.000 -5.541) 5.760 26.708 ( -2.276 0.000 1.276) 2.609 26.773 ( -2.388 0.000 -1.130) 2.642 26.902 ( -1.768 0.000 8.504) 8.686 27.075 ( 7.273 0.000 3.901) 8.254 27.381 ( -8.219 0.000 1.718) 8.397 27.999 ( 8.721 0.000 -19.560) 21.416 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.763 0.000 2.969) 3.065 1.403 ( -1.075 0.000 -0.886) 1.393 1.632 ( 19.644 0.000 4.807) 20.224 1.697 ( 14.319 0.000 8.572) 16.688 1.915 ( 4.525 0.000 3.364) 5.638 2.071 ( 6.758 0.000 6.368) 9.286 2.210 ( 0.445 0.000 -1.330) 1.402 2.445 ( -3.402 0.000 0.991) 3.543 2.540 ( 1.712 0.000 -10.910) 11.044 2.615 ( -14.102 0.000 11.202) 18.010 2.650 ( -6.207 0.000 -3.209) 6.987 2.861 ( -1.537 0.000 -1.671) 2.270 2.982 ( 21.324 0.000 6.449) 22.278 2.988 ( -1.123 0.000 1.870) 2.181 3.039 ( 2.407 0.000 4.703) 5.283 3.206 ( -6.652 0.000 7.055) 9.697 3.233 ( -0.058 0.000 6.169) 6.169 3.281 ( 4.499 0.000 -11.808) 12.636 3.416 ( 1.855 0.000 -1.833) 2.608 3.494 ( 1.182 0.000 1.787) 2.142 3.641 ( 5.431 0.000 -7.132) 8.965 3.768 ( -2.314 0.000 -2.233) 3.215 3.773 ( 5.021 0.000 3.605) 6.182 3.918 ( -1.827 0.000 0.268) 1.847 3.921 ( 0.837 0.000 -4.075) 4.160 4.021 ( 6.001 0.000 -1.848) 6.279 4.108 ( 9.756 0.000 -0.149) 9.757 4.196 ( 0.348 0.000 2.933) 2.953 4.308 ( 17.411 0.000 -5.943) 18.397 4.326 ( -2.756 0.000 3.430) 4.400 4.462 ( -2.043 0.000 6.775) 7.076 4.676 ( 8.206 0.000 -1.872) 8.417 4.912 ( 1.519 0.000 4.193) 4.460 4.950 ( 15.800 0.000 -2.925) 16.068 5.345 ( 13.861 0.000 -11.839) 18.229 5.362 ( 5.282 0.000 -9.127) 10.546 5.974 ( -0.460 0.000 5.142) 5.163 6.222 ( -0.998 0.000 -3.666) 3.800 6.339 ( -1.287 0.000 6.523) 6.649 6.633 ( -0.193 0.000 -4.175) 4.179 6.729 ( -0.402 0.000 2.861) 2.889 6.906 ( -1.234 0.000 -3.480) 3.692 7.140 ( 4.309 0.000 0.634) 4.356 7.174 ( 3.054 0.000 -1.177) 3.272 7.391 ( 1.722 0.000 4.601) 4.912 7.447 ( -2.052 0.000 -1.095) 2.326 7.694 ( -6.990 0.000 4.356) 8.236 7.741 ( -0.555 0.000 -1.003) 1.146 7.882 ( -1.647 0.000 5.176) 5.432 7.968 ( -3.403 0.000 8.521) 9.176 8.156 ( -0.447 0.000 -4.590) 4.612 8.381 ( 4.337 0.000 4.459) 6.220 8.601 ( -4.510 0.000 1.354) 4.709 8.648 ( -7.595 0.000 -4.253) 8.705 8.747 ( -11.383 0.000 -8.060) 13.947 8.869 ( 4.953 0.000 -6.244) 7.969 9.398 ( 2.081 0.000 6.350) 6.682 9.739 ( 3.241 0.000 -5.899) 6.730 9.972 ( -8.735 0.000 5.864) 10.520 10.159 ( -1.691 0.000 0.201) 1.702 10.226 ( -2.228 0.000 -3.423) 4.084 10.256 ( -5.392 0.000 -4.248) 6.864 10.510 ( 0.345 0.000 3.925) 3.940 10.577 ( -1.456 0.000 0.529) 1.549 11.843 ( -0.054 0.000 3.653) 3.654 11.997 ( -2.779 0.000 -2.771) 3.924 12.392 ( -4.323 0.000 6.486) 7.794 12.510 ( -2.300 0.000 9.968) 10.229 12.829 ( -5.467 0.000 -7.963) 9.659 13.065 ( 1.741 0.000 -8.512) 8.688 13.758 ( -4.477 0.000 7.659) 8.872 14.311 ( -3.320 0.000 -13.100) 13.514 14.931 ( -1.998 0.000 5.176) 5.548 15.096 ( -3.089 0.000 -0.847) 3.203 15.214 ( 1.341 0.000 9.664) 9.757 15.708 ( 1.846 0.000 -3.665) 4.103 15.941 ( 0.082 0.000 6.474) 6.475 16.277 ( 6.392 0.000 0.212) 6.395 16.298 ( 6.316 0.000 -0.556) 6.340 16.375 ( -0.552 0.000 -6.240) 6.265 23.731 ( -0.068 0.000 2.183) 2.184 23.806 ( -0.845 0.000 9.148) 9.186 23.898 ( -0.011 0.000 -4.687) 4.687 23.921 ( 0.245 0.000 1.072) 1.100 24.078 ( -0.623 0.000 -0.316) 0.699 24.223 ( 0.270 0.000 6.055) 6.061 24.357 ( 0.479 0.000 -5.382) 5.403 24.499 ( -3.930 0.000 -5.808) 7.013 26.291 ( -1.727 0.000 3.095) 3.545 26.497 ( -1.015 0.000 -5.465) 5.558 26.666 ( -1.653 0.000 1.216) 2.052 26.727 ( -1.993 0.000 -1.051) 2.253 26.877 ( -0.756 0.000 6.914) 6.956 27.131 ( -1.590 0.000 -2.794) 3.214 27.305 ( 0.849 0.000 11.592) 11.623 28.122 ( 3.961 0.000 -17.284) 17.732 ======================= Grid point 67 (25/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 0.000 3.919) 3.919 1.394 ( 0.000 0.000 -0.324) 0.324 1.875 ( -0.000 0.000 -2.325) 2.325 1.893 ( 0.000 0.000 -0.170) 0.170 1.959 ( 0.000 0.000 7.612) 7.612 2.184 ( 0.000 0.000 4.556) 4.556 2.197 ( 0.000 0.000 8.222) 8.222 2.342 ( 0.000 0.000 -0.556) 0.556 2.395 ( 0.000 0.000 16.544) 16.544 2.577 ( 0.000 0.000 -3.763) 3.763 2.611 ( -0.000 0.000 -10.378) 10.378 2.834 ( 0.000 0.000 -3.392) 3.392 2.972 ( 0.000 0.000 0.998) 0.998 3.097 ( -0.000 0.000 5.649) 5.649 3.103 ( 0.000 0.000 9.180) 9.180 3.211 ( -0.000 0.000 0.006) 0.006 3.230 ( 0.000 0.000 5.104) 5.104 3.327 ( 0.000 0.000 -12.744) 12.744 3.462 ( 0.000 0.000 0.702) 0.702 3.469 ( -0.000 0.000 -2.483) 2.483 3.698 ( 0.000 0.000 -2.889) 2.889 3.733 ( 0.000 0.000 -7.273) 7.273 3.851 ( 0.000 0.000 6.465) 6.465 3.879 ( 0.000 0.000 1.554) 1.554 3.925 ( 0.000 0.000 -4.277) 4.277 4.090 ( 0.000 0.000 -2.461) 2.461 4.186 ( 0.000 0.000 4.320) 4.320 4.234 ( 0.000 0.000 1.951) 1.951 4.280 ( 0.000 0.000 1.996) 1.996 4.427 ( 0.000 0.000 9.566) 9.566 4.522 ( 0.000 0.000 -5.643) 5.643 4.749 ( 0.000 0.000 -5.207) 5.207 4.939 ( 0.000 0.000 7.068) 7.068 5.137 ( 0.000 0.000 -3.508) 3.508 5.400 ( -0.000 0.000 -8.961) 8.961 5.491 ( 0.000 0.000 -13.953) 13.953 5.972 ( 0.000 0.000 5.181) 5.181 6.214 ( 0.000 0.000 -3.283) 3.283 6.325 ( 0.000 0.000 6.704) 6.704 6.631 ( 0.000 0.000 -4.328) 4.328 6.723 ( 0.000 0.000 2.833) 2.833 6.892 ( 0.000 0.000 -3.328) 3.328 7.199 ( 0.000 0.000 -1.031) 1.031 7.208 ( 0.000 0.000 -2.146) 2.146 7.462 ( 0.000 0.000 6.367) 6.367 7.499 ( -0.000 0.000 7.853) 7.853 7.517 ( 0.000 0.000 2.824) 2.824 7.709 ( 0.000 0.000 -2.001) 2.001 7.851 ( 0.000 0.000 3.908) 3.908 7.931 ( 0.000 0.000 1.931) 1.931 8.156 ( 0.000 0.000 -3.264) 3.264 8.442 ( -0.000 0.000 7.852) 7.852 8.497 ( 0.000 0.000 -12.622) 12.622 8.554 ( 0.000 0.000 1.937) 1.937 8.666 ( -0.000 0.000 -0.577) 0.577 8.923 ( 0.000 0.000 -7.147) 7.147 9.420 ( 0.000 0.000 6.559) 6.559 9.776 ( 0.000 0.000 -6.071) 6.071 9.877 ( 0.000 0.000 5.805) 5.805 10.142 ( 0.000 0.000 0.344) 0.344 10.158 ( 0.000 0.000 -4.186) 4.186 10.244 ( 0.000 0.000 -3.961) 3.961 10.515 ( 0.000 0.000 3.638) 3.638 10.559 ( 0.000 0.000 1.431) 1.431 11.845 ( 0.000 0.000 2.085) 2.085 11.971 ( 0.000 0.000 -2.713) 2.713 12.349 ( 0.000 0.000 6.654) 6.654 12.488 ( 0.000 0.000 11.698) 11.698 12.767 ( 0.000 0.000 -8.581) 8.581 13.080 ( 0.000 0.000 -9.860) 9.860 13.713 ( 0.000 0.000 7.812) 7.812 14.279 ( 0.000 0.000 -13.405) 13.405 14.910 ( 0.000 0.000 3.999) 3.999 15.048 ( 0.000 0.000 -1.285) 1.285 15.243 ( 0.000 0.000 10.909) 10.909 15.726 ( 0.000 0.000 -1.397) 1.397 15.943 ( 0.000 0.000 5.047) 5.047 16.341 ( 0.000 0.000 0.216) 0.216 16.361 ( 0.000 0.000 -0.556) 0.556 16.369 ( 0.000 0.000 -6.293) 6.293 23.730 ( 0.000 0.000 1.866) 1.866 23.798 ( 0.000 0.000 9.077) 9.077 23.898 ( 0.000 0.000 -5.164) 5.164 23.924 ( 0.000 0.000 1.567) 1.567 24.071 ( 0.000 0.000 -0.813) 0.813 24.226 ( 0.000 0.000 5.926) 5.926 24.376 ( 0.000 0.000 -8.669) 8.669 24.442 ( 0.000 0.000 -2.795) 2.795 26.274 ( 0.000 0.000 3.402) 3.402 26.485 ( 0.000 0.000 -5.103) 5.103 26.649 ( 0.000 0.000 0.940) 0.940 26.705 ( 0.000 0.000 -1.017) 1.017 26.870 ( 0.000 0.000 6.230) 6.230 27.103 ( 0.000 0.000 -2.973) 2.973 27.326 ( 0.000 0.000 12.851) 12.851 28.161 ( 0.000 0.000 -16.639) 16.639 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.000 18.496 20.604) 27.688 0.911 ( 0.000 19.453 20.378) 28.172 1.399 ( 0.000 20.490 24.058) 31.601 1.632 ( 0.000 12.810 -2.245) 13.005 1.796 ( 0.000 0.276 4.269) 4.278 1.865 ( 0.000 6.113 -15.793) 16.934 1.898 ( 0.000 13.330 5.966) 14.604 1.996 ( 0.000 12.636 -7.848) 14.875 2.159 ( 0.000 -1.301 -8.738) 8.834 2.729 ( 0.000 -5.011 -9.292) 10.557 2.814 ( 0.000 -1.432 6.788) 6.937 2.879 ( 0.000 -4.711 -3.389) 5.803 2.884 ( 0.000 -2.075 7.674) 7.949 2.966 ( 0.000 -5.193 -0.636) 5.232 2.997 ( 0.000 -2.981 3.277) 4.430 3.030 ( 0.000 0.013 -5.388) 5.388 3.152 ( 0.000 -4.526 0.166) 4.529 3.165 ( 0.000 -0.390 0.764) 0.857 3.260 ( 0.000 -1.283 -4.671) 4.844 3.281 ( 0.000 3.756 -0.983) 3.882 3.403 ( 0.000 -0.477 -1.291) 1.376 3.455 ( 0.000 -3.196 6.428) 7.178 3.616 ( 0.000 -5.323 14.793) 15.722 3.710 ( 0.000 -0.235 -2.415) 2.426 3.746 ( 0.000 -3.919 -9.290) 10.083 3.786 ( 0.000 -1.266 9.489) 9.573 3.904 ( 0.000 -3.319 3.169) 4.589 4.042 ( 0.000 -4.133 4.124) 5.839 4.146 ( 0.000 -3.744 -0.158) 3.747 4.241 ( 0.000 2.744 -4.043) 4.886 4.286 ( 0.000 3.207 2.835) 4.280 4.317 ( 0.000 3.547 -0.479) 3.579 4.356 ( 0.000 3.845 -0.650) 3.900 4.754 ( 0.000 -1.731 -15.570) 15.666 4.833 ( 0.000 -2.956 5.110) 5.903 5.088 ( 0.000 -6.610 -5.009) 8.294 6.225 ( 0.000 9.013 7.215) 11.545 6.429 ( 0.000 1.998 4.708) 5.115 6.660 ( 0.000 2.253 -3.709) 4.339 6.696 ( 0.000 19.097 -16.048) 24.945 6.744 ( 0.000 2.992 3.603) 4.684 6.979 ( 0.000 3.105 -4.595) 5.546 6.996 ( 0.000 3.315 1.939) 3.840 7.129 ( 0.000 1.049 -2.125) 2.370 7.485 ( 0.000 -6.483 1.601) 6.678 7.578 ( 0.000 -4.482 -1.817) 4.836 7.811 ( 0.000 0.241 0.584) 0.632 7.822 ( 0.000 0.801 0.047) 0.802 7.850 ( 0.000 -10.685 10.634) 15.075 8.000 ( 0.000 -0.336 5.810) 5.820 8.146 ( 0.000 10.255 2.340) 10.518 8.299 ( 0.000 8.212 -3.771) 9.036 8.304 ( 0.000 -13.785 -3.487) 14.219 8.504 ( 0.000 -18.566 -4.209) 19.037 8.822 ( 0.000 -3.861 0.144) 3.864 8.855 ( 0.000 1.767 -3.099) 3.568 9.285 ( 0.000 0.490 5.973) 5.993 9.671 ( 0.000 1.434 -7.918) 8.047 10.233 ( 0.000 -5.742 1.901) 6.048 10.283 ( 0.000 -0.689 0.488) 0.844 10.395 ( 0.000 -3.106 2.616) 4.061 10.426 ( 0.000 -1.734 8.306) 8.485 10.500 ( 0.000 -4.733 -1.239) 4.893 10.732 ( 0.000 -3.221 -3.329) 4.633 12.030 ( 0.000 -8.247 16.483) 18.431 12.570 ( 0.000 -2.482 2.631) 3.617 12.616 ( 0.000 2.576 -13.483) 13.727 12.723 ( 0.000 -0.012 -2.718) 2.718 12.960 ( 0.000 12.684 5.649) 13.886 13.341 ( 0.000 15.405 -8.094) 17.402 14.101 ( 0.000 -5.402 6.236) 8.251 14.561 ( 0.000 -4.588 -10.736) 11.676 14.837 ( 0.000 1.310 3.586) 3.817 15.054 ( 0.000 1.542 -5.168) 5.393 15.232 ( 0.000 -18.236 14.499) 23.298 15.517 ( 0.000 -5.570 -3.035) 6.343 15.760 ( 0.000 0.039 1.460) 1.461 15.796 ( 0.000 4.789 0.005) 4.789 15.890 ( 0.000 -0.829 11.722) 11.752 16.370 ( 0.000 -1.774 -6.622) 6.855 23.737 ( 0.000 0.415 2.941) 2.970 23.891 ( 0.000 -1.805 1.731) 2.501 23.914 ( 0.000 -0.603 -3.695) 3.743 23.917 ( 0.000 -2.308 1.043) 2.533 24.171 ( 0.000 -3.712 15.051) 15.502 24.196 ( 0.000 -0.240 6.766) 6.770 24.549 ( 0.000 1.787 -6.066) 6.324 24.837 ( 0.000 10.264 -18.689) 21.322 26.512 ( 0.000 -1.496 3.397) 3.712 26.615 ( 0.000 -6.579 1.306) 6.707 26.687 ( 0.000 -6.082 -1.258) 6.211 26.709 ( 0.000 -2.162 -3.693) 4.279 26.913 ( 0.000 7.105 2.256) 7.455 27.033 ( 0.000 10.058 -2.003) 10.255 27.126 ( 0.000 -11.110 19.300) 22.269 27.730 ( 0.000 -1.277 -11.152) 11.225 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 12.112 15.851 13.404) 24.033 1.057 ( 13.126 13.994 18.215) 26.456 1.546 ( -1.252 9.555 -1.018) 9.691 1.738 ( 20.628 12.745 7.680) 25.435 1.798 ( 0.020 11.804 -4.840) 12.757 1.823 ( -1.178 4.909 5.497) 7.464 1.941 ( 6.568 11.474 13.652) 19.005 2.106 ( 7.049 4.894 -5.543) 10.216 2.210 ( 7.160 4.822 -12.341) 15.060 2.731 ( -1.128 -5.828 -6.050) 8.476 2.769 ( -2.523 -1.726 0.467) 3.093 2.893 ( -0.462 -4.318 -0.991) 4.454 2.897 ( -0.720 -4.365 -0.351) 4.438 2.981 ( 3.275 -3.472 8.729) 9.949 3.011 ( 2.729 -1.486 0.889) 3.232 3.113 ( 8.620 -0.256 -5.299) 10.122 3.191 ( -3.760 1.587 -0.599) 4.125 3.222 ( 1.939 2.513 5.336) 6.208 3.255 ( 6.798 -3.817 0.381) 7.806 3.314 ( 2.898 -1.300 -1.797) 3.649 3.442 ( 3.572 1.312 -2.457) 4.530 3.529 ( -0.198 -1.588 9.308) 9.445 3.551 ( 5.875 -2.914 4.629) 8.028 3.728 ( -1.708 -5.769 -4.460) 7.489 3.804 ( 1.262 2.019 3.910) 4.578 3.842 ( 5.983 -3.256 -2.144) 7.141 3.875 ( 7.082 0.708 2.533) 7.555 4.060 ( 1.847 -2.237 4.422) 5.289 4.175 ( 0.259 -0.673 -0.204) 0.749 4.224 ( 1.206 -0.427 -5.103) 5.261 4.294 ( 2.433 3.599 -0.203) 4.349 4.391 ( 5.594 3.281 3.315) 7.283 4.466 ( 6.211 -1.613 -4.195) 7.667 4.787 ( 4.160 -1.384 -9.769) 10.708 4.865 ( 3.195 -2.185 0.948) 3.985 5.110 ( 2.333 -6.012 -5.476) 8.460 6.157 ( -5.484 7.442 6.657) 11.392 6.416 ( -1.285 1.659 4.868) 5.301 6.546 ( -10.795 16.022 -9.709) 21.622 6.657 ( -0.477 1.841 -3.886) 4.326 6.766 ( 1.565 4.112 3.476) 5.607 6.982 ( 0.999 2.845 -2.683) 4.037 7.021 ( 1.709 3.231 0.762) 3.734 7.134 ( 0.478 1.289 -1.899) 2.344 7.492 ( -5.190 -4.008 5.519) 8.571 7.499 ( -0.075 -6.312 0.341) 6.322 7.703 ( -2.498 -1.863 1.355) 3.398 7.755 ( -4.866 -1.984 -0.300) 5.264 7.909 ( 0.160 -3.651 6.681) 7.616 8.050 ( 4.360 2.741 6.202) 8.061 8.169 ( 2.358 6.770 1.801) 7.391 8.243 ( 0.496 1.075 -1.759) 2.121 8.455 ( 4.369 -11.242 -4.298) 12.804 8.719 ( 11.015 -20.527 -10.647) 25.614 8.795 ( -2.470 -3.344 0.513) 4.189 8.864 ( 1.283 2.725 -6.213) 6.904 9.307 ( 2.148 0.606 6.045) 6.444 9.689 ( 1.934 2.113 -8.293) 8.774 10.211 ( -2.351 -5.430 1.892) 6.212 10.261 ( -2.196 0.897 -0.410) 2.407 10.360 ( -6.081 -2.148 6.546) 9.190 10.389 ( -0.663 -4.685 3.379) 5.815 10.512 ( 0.981 -5.947 -1.166) 6.139 10.652 ( -7.574 -2.874 -3.030) 8.649 11.960 ( -5.340 -2.974 13.326) 14.661 12.363 ( -15.097 4.712 -6.478) 17.090 12.596 ( -1.678 -2.975 4.557) 5.695 12.796 ( 2.725 1.863 -0.271) 3.312 12.846 ( -6.733 8.284 4.728) 11.675 13.282 ( -4.494 15.733 -10.197) 19.279 14.012 ( -7.931 -5.043 6.780) 11.589 14.511 ( -6.155 -5.142 -12.182) 14.585 14.905 ( 6.254 1.121 4.923) 8.038 15.025 ( -1.846 -1.467 6.973) 7.361 15.387 ( 7.911 -7.579 -1.620) 11.074 15.511 ( 0.175 -3.862 -5.126) 6.420 15.848 ( 7.547 -1.666 2.467) 8.113 15.880 ( 7.776 1.102 1.245) 7.951 15.917 ( 3.782 -0.648 8.386) 9.222 16.372 ( 0.127 -1.804 -6.541) 6.786 23.737 ( -0.036 0.408 2.920) 2.949 23.881 ( -1.097 -0.844 4.023) 4.254 23.908 ( -0.374 -0.612 -0.573) 0.918 23.911 ( -0.502 -1.010 -2.203) 2.475 24.134 ( -2.596 -1.029 10.597) 10.958 24.201 ( 0.358 -0.652 6.979) 7.019 24.524 ( -3.278 3.133 -5.625) 7.225 24.694 ( -7.990 8.997 -10.031) 15.665 26.429 ( -5.204 -0.923 2.334) 5.778 26.563 ( -3.781 -1.359 -3.153) 5.107 26.657 ( 0.857 -5.685 1.348) 5.905 26.777 ( 0.037 -3.466 -2.199) 4.105 26.958 ( 0.200 3.213 6.351) 7.120 27.000 ( 4.024 5.869 6.001) 9.308 27.365 ( 8.799 -9.779 -0.405) 13.161 27.738 ( 4.067 -2.947 -13.408) 14.318 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 12.447 8.392 4.303) 15.616 1.371 ( 17.367 9.783 12.294) 23.419 1.494 ( -1.692 8.571 -3.035) 9.249 1.729 ( -1.127 17.139 10.110) 19.931 1.875 ( 4.314 4.225 1.099) 6.138 1.974 ( 6.367 3.445 1.800) 7.460 2.166 ( 2.354 -1.254 -3.582) 4.466 2.347 ( 14.119 4.293 -0.441) 14.764 2.473 ( 17.714 8.584 -2.562) 19.850 2.667 ( 0.708 0.403 1.967) 2.129 2.701 ( -5.662 -5.926 -2.795) 8.659 2.888 ( -3.201 0.757 3.376) 4.713 2.919 ( 2.236 -3.374 -0.753) 4.117 2.977 ( -1.259 1.928 6.746) 7.128 3.022 ( -2.964 0.804 1.668) 3.495 3.132 ( 3.284 -2.002 2.046) 4.357 3.249 ( 2.418 0.118 3.115) 3.945 3.329 ( 0.248 -1.690 0.374) 1.749 3.352 ( 4.591 -2.252 -2.124) 5.537 3.393 ( 4.859 -1.424 1.312) 5.230 3.503 ( 6.838 4.422 -2.164) 8.426 3.629 ( 4.794 -2.925 2.175) 6.022 3.687 ( 2.879 -5.724 -1.236) 6.526 3.766 ( 10.791 -3.861 -3.330) 11.935 3.858 ( 4.557 -1.186 -0.833) 4.782 3.912 ( 4.187 3.023 -0.695) 5.211 4.026 ( 4.015 0.581 -0.414) 4.078 4.161 ( 5.813 6.666 -0.683) 8.871 4.173 ( 1.314 -1.664 1.326) 2.500 4.271 ( 2.830 -4.499 -1.371) 5.489 4.421 ( 8.337 1.517 2.352) 8.794 4.548 ( 3.364 -0.026 -4.041) 5.258 4.599 ( 16.078 1.680 3.580) 16.557 4.865 ( 2.999 -1.867 1.811) 3.969 5.032 ( 14.192 -0.428 -8.523) 16.560 5.194 ( 6.582 -4.323 -7.086) 10.594 6.056 ( -4.070 4.974 5.713) 8.599 6.363 ( -6.098 7.198 -3.973) 10.236 6.386 ( -2.678 2.784 3.566) 5.257 6.642 ( -0.934 0.498 -4.218) 4.348 6.788 ( 0.464 5.137 3.298) 6.122 6.988 ( -0.630 5.327 -3.750) 6.545 7.077 ( 3.602 1.533 1.547) 4.210 7.149 ( 1.188 1.823 -1.240) 2.505 7.402 ( -3.259 -1.676 4.570) 5.858 7.482 ( -2.593 -5.288 -1.895) 6.187 7.641 ( -3.275 -5.239 0.593) 6.207 7.704 ( -0.245 -4.995 -0.623) 5.040 7.875 ( -4.046 -2.376 9.065) 10.207 8.136 ( 3.518 7.028 4.901) 9.262 8.201 ( -0.174 2.340 -0.947) 2.530 8.271 ( 2.274 -0.263 2.205) 3.178 8.519 ( 1.668 -12.140 -3.708) 12.803 8.722 ( -3.684 -1.433 1.577) 4.256 8.780 ( -4.475 -15.252 -10.109) 18.837 8.881 ( 0.946 4.417 -5.335) 6.991 9.361 ( 2.996 0.894 6.417) 7.138 9.737 ( 2.657 3.215 -7.673) 8.733 10.143 ( -5.841 -2.967 3.543) 7.447 10.183 ( -5.659 -2.635 2.157) 6.604 10.231 ( -3.774 -1.290 -1.236) 4.175 10.364 ( -3.398 -5.798 1.117) 6.813 10.473 ( -7.976 -3.353 -0.312) 8.657 10.526 ( 0.013 -7.440 -1.369) 7.565 11.874 ( -2.835 1.418 7.544) 8.183 12.110 ( -9.559 3.405 -3.143) 10.623 12.541 ( -3.437 -3.068 7.481) 8.786 12.665 ( -7.558 12.649 7.279) 16.435 12.890 ( 3.044 -3.778 -5.193) 7.106 13.182 ( -5.474 13.500 -10.506) 17.961 13.842 ( -8.121 -4.577 7.351) 11.871 14.365 ( -6.981 -4.900 -12.413) 15.061 14.980 ( -2.502 -0.305 8.220) 8.598 15.049 ( 7.199 0.929 6.911) 10.022 15.340 ( -6.897 3.209 -0.931) 7.663 15.626 ( 6.520 -2.314 -8.623) 11.056 15.913 ( 1.072 -2.071 9.900) 10.171 16.068 ( 10.403 -2.747 0.644) 10.779 16.106 ( 10.807 -0.901 -0.620) 10.862 16.370 ( -0.380 -1.782 -6.428) 6.681 23.736 ( -0.047 0.411 2.704) 2.736 23.856 ( -1.178 1.837 7.085) 7.413 23.900 ( -0.401 -0.235 -3.618) 3.648 23.906 ( 0.104 -0.970 0.420) 1.062 24.092 ( -1.466 -0.244 3.866) 4.141 24.209 ( 0.387 -0.686 6.596) 6.643 24.438 ( -3.843 4.838 -4.498) 7.642 24.594 ( -3.714 2.726 -7.719) 8.989 26.341 ( -3.522 -0.282 2.471) 4.312 26.514 ( -1.653 -0.960 -4.880) 5.241 26.643 ( -1.752 -5.437 1.823) 5.996 26.747 ( -2.428 -2.784 -1.764) 4.094 26.933 ( -1.181 3.149 8.064) 8.738 27.128 ( 5.876 4.325 3.149) 7.947 27.355 ( -4.620 -1.748 1.519) 5.168 27.901 ( 8.673 -8.179 -15.476) 19.535 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 1.710 7.481 -0.890) 7.725 1.487 ( 1.536 6.445 -2.662) 7.140 1.724 ( 15.730 8.481 6.911) 19.160 1.817 ( 10.214 10.553 11.908) 18.907 1.962 ( 3.909 4.213 2.499) 6.267 2.102 ( 6.640 3.648 3.250) 8.244 2.201 ( 1.202 -1.164 -2.234) 2.791 2.393 ( -8.845 -2.932 2.160) 9.565 2.559 ( -2.936 -2.813 -3.799) 5.565 2.588 ( 1.683 2.047 -6.729) 7.232 2.684 ( -11.126 4.091 6.994) 13.764 2.895 ( 4.323 -0.835 0.496) 4.431 2.944 ( 0.054 -1.232 0.108) 1.238 3.022 ( 2.785 -1.045 2.348) 3.790 3.099 ( 7.510 5.360 4.336) 10.195 3.150 ( 1.611 1.402 5.259) 5.676 3.256 ( -0.127 1.525 4.898) 5.131 3.362 ( 3.383 0.109 -3.666) 4.989 3.410 ( 2.449 1.825 -4.085) 5.101 3.463 ( 1.153 -2.605 0.742) 2.944 3.548 ( -1.538 -7.522 -6.368) 9.975 3.704 ( 3.564 -2.895 -0.908) 4.681 3.744 ( 2.319 -2.303 0.215) 3.275 3.913 ( 1.546 0.052 -1.435) 2.110 3.950 ( 4.105 -0.543 -1.212) 4.315 4.027 ( 4.693 1.401 0.210) 4.903 4.110 ( 5.070 -0.773 0.829) 5.196 4.188 ( 1.507 -0.677 0.744) 1.812 4.302 ( 1.292 -0.239 2.146) 2.516 4.401 ( 14.647 7.035 -3.983) 16.730 4.473 ( -2.122 1.319 5.401) 5.951 4.670 ( 6.740 -1.145 -2.412) 7.250 4.863 ( 6.245 -2.704 6.040) 9.099 5.004 ( 12.901 3.542 -1.166) 13.430 5.329 ( 10.417 -1.442 -8.757) 13.685 5.360 ( 10.280 -0.767 -8.959) 13.657 6.003 ( -1.354 3.039 4.909) 5.931 6.273 ( -2.721 4.383 -4.275) 6.700 6.344 ( -1.776 0.340 5.526) 5.814 6.625 ( -0.641 -0.623 -4.766) 4.849 6.787 ( -0.385 5.370 3.336) 6.333 6.967 ( -1.096 5.802 -3.141) 6.688 7.149 ( 3.395 0.827 0.806) 3.586 7.193 ( 3.154 1.885 -1.258) 3.883 7.373 ( 1.065 -1.691 3.838) 4.327 7.428 ( -1.007 -2.421 -1.007) 2.809 7.605 ( -0.823 -9.797 2.258) 10.087 7.703 ( -1.019 -3.605 -0.673) 3.806 7.729 ( -9.879 -3.530 8.214) 13.324 8.143 ( -5.442 -2.730 -6.799) 9.127 8.187 ( 1.216 11.915 5.052) 12.999 8.307 ( 0.836 -6.957 4.601) 8.383 8.521 ( -0.994 -8.150 -4.146) 9.198 8.602 ( -8.653 -8.122 -8.060) 14.346 8.672 ( -1.908 3.460 4.284) 5.828 8.935 ( 3.282 4.469 -4.716) 7.279 9.414 ( 1.981 0.829 6.935) 7.260 9.793 ( 2.829 3.358 -6.691) 8.003 9.970 ( -8.171 0.037 5.413) 9.801 10.123 ( -1.814 -3.985 -0.250) 4.386 10.190 ( -1.270 -4.354 -3.490) 5.723 10.222 ( -7.276 -2.765 -3.730) 8.631 10.409 ( -0.862 -8.045 4.399) 9.210 10.512 ( -1.091 -7.473 -0.302) 7.559 11.842 ( -0.668 1.551 3.371) 3.770 11.979 ( -3.957 1.192 -2.163) 4.665 12.480 ( -2.313 -2.907 9.318) 10.031 12.551 ( -3.775 13.415 7.001) 15.596 12.930 ( 1.401 1.309 -7.470) 7.712 13.073 ( -5.100 7.056 -9.690) 13.027 13.715 ( -4.319 -4.212 7.630) 9.727 14.262 ( -3.288 -4.789 -13.015) 14.253 14.936 ( -1.691 0.693 5.981) 6.254 15.144 ( 0.566 3.755 1.576) 4.112 15.232 ( -1.678 2.418 6.712) 7.329 15.715 ( 2.641 0.676 -4.495) 5.257 15.931 ( 0.843 -0.755 6.616) 6.712 16.239 ( 6.204 -3.567 0.593) 7.181 16.281 ( 6.277 -1.529 -0.869) 6.519 16.360 ( -0.530 -1.718 -6.399) 6.647 23.735 ( -0.044 0.434 2.210) 2.252 23.837 ( -0.657 2.834 8.148) 8.652 23.897 ( 0.045 -0.061 -4.326) 4.326 23.909 ( 0.143 -1.123 0.997) 1.508 24.072 ( -0.683 -0.479 0.529) 0.988 24.216 ( 0.264 -0.745 6.310) 6.360 24.397 ( -0.197 3.559 -5.452) 6.514 24.515 ( -4.101 1.528 -6.545) 7.873 26.289 ( -1.688 -0.092 3.060) 3.496 26.488 ( -1.052 -0.955 -4.931) 5.132 26.608 ( -1.420 -5.176 1.899) 5.693 26.698 ( -2.108 -2.896 -1.442) 3.861 26.918 ( -0.400 4.122 6.446) 7.662 27.168 ( -1.620 3.588 -3.060) 4.986 27.321 ( 1.576 1.277 10.092) 10.294 28.029 ( 4.211 -8.420 -14.829) 17.565 ======================= Grid point 76 (30/60) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.000 7.622 -0.494) 7.638 1.501 ( 0.000 8.301 -1.437) 8.424 1.911 ( -0.000 7.410 2.693) 7.884 1.963 ( -0.000 0.429 6.134) 6.149 2.049 ( -0.000 11.056 0.497) 11.067 2.173 ( 0.000 -0.394 3.837) 3.858 2.224 ( 0.000 2.791 7.636) 8.130 2.248 ( 0.000 -6.558 -0.488) 6.576 2.428 ( 0.000 0.063 9.743) 9.743 2.556 ( 0.000 0.292 -0.106) 0.311 2.673 ( -0.000 5.859 -9.634) 11.276 2.887 ( 0.000 2.167 -3.058) 3.748 2.966 ( 0.000 -0.451 2.191) 2.237 3.066 ( -0.000 -1.370 3.291) 3.565 3.073 ( 0.000 -2.709 7.269) 7.758 3.246 ( -0.000 1.303 3.206) 3.461 3.266 ( 0.000 5.711 1.215) 5.839 3.426 ( 0.000 -3.642 -2.578) 4.462 3.427 ( -0.000 -0.275 -0.957) 0.995 3.465 ( -0.000 7.571 -8.924) 11.702 3.516 ( 0.000 -13.342 -3.020) 13.680 3.737 ( 0.000 0.921 -7.279) 7.337 3.771 ( 0.000 -7.954 2.969) 8.490 3.922 ( 0.000 2.948 -0.648) 3.019 4.002 ( 0.000 4.858 0.724) 4.911 4.087 ( 0.000 -0.400 -0.515) 0.652 4.138 ( 0.000 -4.269 4.204) 5.992 4.205 ( -0.000 -2.974 1.089) 3.167 4.333 ( 0.000 4.750 2.324) 5.288 4.425 ( 0.000 -0.124 9.063) 9.064 4.585 ( 0.000 5.550 -5.771) 8.006 4.727 ( 0.000 -2.276 -4.619) 5.149 4.932 ( 0.000 -0.334 8.213) 8.219 5.182 ( 0.000 4.382 -1.832) 4.750 5.393 ( 0.000 -0.634 -8.239) 8.263 5.498 ( 0.000 0.016 -11.104) 11.104 5.992 ( 0.000 2.321 4.480) 5.046 6.248 ( 0.000 3.006 -3.813) 4.856 6.324 ( 0.000 -0.455 5.931) 5.949 6.619 ( 0.000 -0.878 -5.092) 5.167 6.781 ( 0.000 5.300 3.519) 6.362 6.955 ( 0.000 5.970 -2.867) 6.623 7.190 ( 0.000 -0.438 -0.033) 0.439 7.229 ( 0.000 1.573 -2.036) 2.573 7.427 ( 0.000 -3.117 5.141) 6.012 7.486 ( 0.000 -3.089 1.805) 3.578 7.526 ( 0.000 -2.563 8.870) 9.233 7.601 ( 0.000 -7.227 1.493) 7.379 7.685 ( 0.000 -3.133 -1.873) 3.651 8.045 ( 0.000 -7.914 -9.128) 12.081 8.200 ( 0.000 11.573 4.024) 12.252 8.312 ( 0.000 -9.545 4.910) 10.734 8.495 ( 0.000 2.942 -7.189) 7.768 8.528 ( 0.000 -9.920 -2.895) 10.334 8.656 ( 0.000 4.993 5.412) 7.364 8.973 ( 0.000 3.665 -5.382) 6.512 9.433 ( 0.000 0.536 7.173) 7.193 9.828 ( 0.000 3.344 -6.583) 7.384 9.881 ( 0.000 0.856 4.879) 4.953 10.103 ( 0.000 -4.040 -0.517) 4.073 10.138 ( 0.000 -1.455 -3.849) 4.115 10.184 ( 0.000 -6.524 -3.840) 7.570 10.400 ( 0.000 -9.304 4.671) 10.411 10.499 ( 0.000 -7.148 0.447) 7.162 11.837 ( 0.000 1.147 1.895) 2.215 11.941 ( 0.000 0.361 -1.956) 1.989 12.456 ( 0.000 -3.146 10.670) 11.125 12.514 ( 0.000 13.925 6.885) 15.534 12.954 ( 0.000 15.450 -8.989) 17.875 13.006 ( -0.000 -7.164 -9.245) 11.696 13.673 ( 0.000 -4.060 7.752) 8.750 14.231 ( -0.000 -4.777 -13.333) 14.162 14.919 ( 0.000 0.972 4.977) 5.071 15.122 ( 0.000 7.195 -2.548) 7.632 15.241 ( 0.000 -0.449 11.818) 11.826 15.740 ( 0.000 1.350 -2.233) 2.609 15.941 ( 0.000 -0.064 4.737) 4.738 16.302 ( 0.000 -3.760 0.623) 3.811 16.345 ( -0.000 -1.608 -0.913) 1.850 16.353 ( 0.000 -1.686 -6.407) 6.625 23.734 ( -0.000 0.447 1.911) 1.963 23.831 ( 0.000 2.993 8.325) 8.847 23.898 ( -0.000 0.036 -4.955) 4.955 23.911 ( -0.000 -1.272 1.600) 2.044 24.065 ( -0.000 -0.532 -0.215) 0.573 24.219 ( 0.000 -0.780 6.193) 6.242 24.413 ( 0.000 3.258 -8.730) 9.318 24.456 ( -0.000 1.234 -3.236) 3.463 26.273 ( 0.000 -0.057 3.313) 3.313 26.476 ( 0.000 -0.935 -4.662) 4.755 26.593 ( -0.000 -5.062 1.707) 5.342 26.675 ( 0.000 -2.932 -1.289) 3.203 26.914 ( 0.000 4.466 5.756) 7.285 27.143 ( 0.000 3.968 -3.029) 4.992 27.346 ( 0.000 1.468 10.934) 11.032 28.071 ( 0.000 -8.382 -14.529) 16.773 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.000 16.787 14.270) 22.032 1.284 ( 0.000 23.184 12.263) 26.228 1.794 ( 0.000 -0.887 4.410) 4.498 1.810 ( 0.000 18.408 1.573) 18.475 1.920 ( 0.000 13.040 -6.269) 14.468 2.030 ( 0.000 9.568 -13.833) 16.819 2.133 ( 0.000 -0.762 -11.685) 11.710 2.197 ( 0.000 6.140 -12.953) 14.335 2.250 ( 0.000 16.613 14.614) 22.126 2.679 ( 0.000 0.050 1.432) 1.433 2.737 ( 0.000 -5.829 0.957) 5.907 2.760 ( 0.000 -5.254 -5.520) 7.620 2.823 ( 0.000 -6.986 -1.419) 7.129 2.857 ( 0.000 -2.826 11.361) 11.707 2.922 ( 0.000 -8.764 -3.624) 9.484 2.929 ( 0.000 -3.970 4.040) 5.664 3.101 ( 0.000 1.223 1.236) 1.738 3.152 ( 0.000 -0.521 0.814) 0.966 3.258 ( 0.000 0.739 -0.214) 0.769 3.344 ( 0.000 0.905 -2.598) 2.751 3.381 ( 0.000 -3.545 6.787) 7.657 3.413 ( 0.000 2.664 2.228) 3.472 3.559 ( 0.000 1.478 12.193) 12.282 3.644 ( 0.000 -5.587 -5.843) 8.084 3.699 ( 0.000 -1.226 -2.897) 3.146 3.809 ( 0.000 1.359 7.665) 7.784 3.934 ( 0.000 5.664 -2.605) 6.234 3.943 ( 0.000 -5.094 3.694) 6.292 4.077 ( 0.000 -4.012 -0.081) 4.013 4.310 ( 0.000 3.970 -3.582) 5.347 4.360 ( 0.000 0.025 -0.039) 0.047 4.375 ( 0.000 5.660 2.213) 6.078 4.439 ( 0.000 3.954 -2.884) 4.894 4.719 ( 0.000 -1.595 -12.016) 12.121 4.740 ( 0.000 -6.099 5.422) 8.161 4.912 ( 0.000 -10.302 -2.180) 10.530 6.411 ( 0.000 8.103 10.044) 12.905 6.483 ( 0.000 3.012 4.231) 5.193 6.731 ( 0.000 4.937 -4.427) 6.631 6.818 ( 0.000 4.121 3.833) 5.628 6.888 ( 0.000 2.991 -5.331) 6.113 7.055 ( 0.000 4.084 -4.291) 5.924 7.090 ( 0.000 3.012 -2.620) 3.992 7.160 ( 0.000 1.861 -2.768) 3.336 7.365 ( 0.000 -4.606 2.210) 5.109 7.498 ( 0.000 -2.590 -2.838) 3.842 7.587 ( 0.000 -13.554 12.313) 18.312 7.824 ( 0.000 0.910 0.854) 1.248 7.853 ( 0.000 2.473 -0.218) 2.482 7.963 ( 0.000 -3.471 2.839) 4.484 8.043 ( 0.000 -18.775 -7.332) 20.156 8.153 ( 0.000 -8.855 -5.192) 10.265 8.386 ( 0.000 12.941 0.868) 12.970 8.501 ( 0.000 11.384 -4.072) 12.091 8.747 ( 0.000 -2.686 1.024) 2.875 8.883 ( 0.000 0.578 -6.409) 6.435 9.301 ( 0.000 1.366 6.587) 6.727 9.709 ( 0.000 2.455 -8.176) 8.536 9.962 ( 0.000 -17.270 6.107) 18.318 10.190 ( 0.000 -10.340 -2.935) 10.749 10.374 ( 0.000 -1.013 3.818) 3.950 10.386 ( 0.000 -2.024 8.064) 8.314 10.446 ( 0.000 0.759 -0.031) 0.760 10.649 ( 0.000 -4.660 -2.417) 5.249 12.029 ( 0.000 5.845 11.999) 13.347 12.495 ( 0.000 -5.106 3.717) 6.316 12.644 ( 0.000 1.225 -13.307) 13.363 12.719 ( 0.000 -0.462 -4.155) 4.181 13.218 ( 0.000 13.469 9.145) 16.280 13.669 ( 0.000 16.242 -9.216) 18.675 13.951 ( 0.000 -9.384 6.703) 11.532 14.432 ( 0.000 -8.311 -11.668) 14.325 14.862 ( 0.000 0.900 5.179) 5.257 14.985 ( 0.000 -7.482 12.231) 14.338 15.101 ( 0.000 3.183 -4.513) 5.523 15.396 ( 0.000 -6.104 -5.446) 8.180 15.767 ( 0.000 0.790 3.229) 3.324 15.865 ( 0.000 -1.618 10.221) 10.348 15.918 ( 0.000 7.209 -2.335) 7.578 16.313 ( 0.000 -3.947 -6.454) 7.565 23.753 ( 0.000 1.208 2.481) 2.760 23.875 ( 0.000 -1.750 0.656) 1.869 23.886 ( 0.000 0.281 1.000) 1.038 23.903 ( 0.000 -0.456 -3.272) 3.303 24.147 ( 0.000 0.110 13.958) 13.958 24.188 ( 0.000 -0.531 7.906) 7.924 24.604 ( 0.000 3.704 -7.193) 8.090 24.900 ( 0.000 -1.968 -15.712) 15.835 26.471 ( 0.000 -2.206 3.697) 4.305 26.504 ( 0.000 -4.355 1.734) 4.688 26.598 ( 0.000 -2.798 -1.587) 3.217 26.659 ( 0.000 -2.812 -3.396) 4.409 27.034 ( 0.000 4.720 3.611) 5.943 27.044 ( 0.000 0.608 13.966) 13.979 27.229 ( 0.000 9.273 -3.278) 9.835 27.644 ( 0.000 -5.764 -9.706) 11.288 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 7.054 15.325 10.828) 20.046 1.406 ( 8.799 20.466 9.535) 24.232 1.806 ( -4.462 13.391 -5.659) 15.206 1.824 ( 2.823 -0.803 4.386) 5.277 1.955 ( 6.868 9.865 -6.019) 13.443 2.085 ( 4.903 9.653 -3.712) 11.445 2.126 ( 0.888 4.140 -6.427) 7.696 2.245 ( 3.521 12.586 7.884) 15.263 2.400 ( 13.888 7.052 -7.843) 17.439 2.646 ( -3.012 -2.363 -1.857) 4.255 2.722 ( -4.920 -5.306 -2.725) 7.733 2.781 ( -0.559 -5.541 -4.615) 7.233 2.796 ( 6.481 -2.125 3.910) 7.862 2.912 ( 2.609 -3.650 9.714) 10.700 2.968 ( 4.337 -4.066 1.685) 6.179 3.016 ( 7.152 -7.063 -0.847) 10.088 3.189 ( 6.367 0.623 0.219) 6.401 3.216 ( 4.447 1.656 1.393) 4.946 3.280 ( 1.689 0.786 1.476) 2.377 3.338 ( -1.074 3.785 5.736) 6.956 3.442 ( 8.958 -1.883 -1.143) 9.225 3.476 ( 4.573 -3.750 3.137) 6.694 3.545 ( -0.633 4.000 7.377) 8.416 3.620 ( -0.063 -4.289 -4.409) 6.151 3.758 ( 3.645 -3.613 -0.379) 5.146 3.876 ( 5.853 0.083 4.505) 7.386 3.901 ( 3.050 4.829 -0.349) 5.722 3.997 ( 2.244 -2.638 1.387) 3.731 4.135 ( 4.871 -2.637 -1.283) 5.686 4.291 ( -0.261 4.783 -3.634) 6.013 4.383 ( 1.919 5.148 -0.850) 5.559 4.444 ( 7.052 0.282 1.089) 7.141 4.466 ( 1.895 2.920 -0.803) 3.573 4.730 ( 1.945 -4.887 -0.258) 5.267 4.801 ( 5.918 -3.764 -4.800) 8.499 4.949 ( 3.728 -9.349 -2.827) 10.454 6.318 ( -7.384 7.493 8.587) 13.580 6.457 ( -2.411 2.037 4.080) 5.158 6.708 ( -2.235 3.573 -4.660) 6.283 6.777 ( -11.307 6.530 -8.343) 15.495 6.870 ( 3.167 5.742 3.763) 7.560 7.022 ( 2.084 1.363 1.488) 2.900 7.126 ( 1.340 5.209 -2.752) 6.041 7.171 ( 0.904 2.493 -2.641) 3.743 7.359 ( -0.665 -5.663 2.928) 6.409 7.427 ( -3.592 -3.203 2.990) 5.666 7.603 ( -0.807 -8.558 2.454) 8.939 7.732 ( -7.798 -0.090 -2.867) 8.309 7.852 ( 0.837 -0.662 3.478) 3.638 8.014 ( 3.801 -4.886 2.760) 6.778 8.108 ( 3.606 -16.817 -3.152) 17.485 8.193 ( 3.448 -9.077 -4.735) 10.803 8.395 ( 0.776 13.095 1.455) 13.199 8.585 ( 5.897 6.798 -6.251) 10.957 8.747 ( 0.053 -0.953 1.684) 1.935 8.908 ( 2.247 1.366 -6.124) 6.665 9.319 ( 1.783 0.760 6.647) 6.924 9.722 ( 1.393 1.482 -7.979) 8.235 9.954 ( -0.847 -17.146 5.428) 18.005 10.183 ( -1.152 -10.691 -3.547) 11.323 10.317 ( -6.201 -1.294 6.385) 8.994 10.341 ( -2.950 -1.899 3.581) 5.013 10.428 ( -2.124 -0.404 0.826) 2.315 10.580 ( -6.708 -4.029 -2.307) 8.158 12.006 ( -2.059 6.580 9.996) 12.143 12.438 ( -7.540 1.041 -3.016) 8.188 12.532 ( -5.895 -1.427 -1.137) 6.171 12.758 ( 1.899 -2.896 -5.055) 6.128 13.117 ( -8.097 14.814 8.544) 18.921 13.598 ( -5.877 15.400 -10.382) 19.480 13.870 ( -7.276 -8.973 7.099) 13.559 14.368 ( -6.313 -9.032 -11.988) 16.284 14.926 ( 6.002 0.812 6.591) 8.951 14.979 ( 0.463 -2.569 10.199) 10.528 15.291 ( 14.349 -1.145 -4.702) 15.143 15.446 ( 2.973 -3.294 -6.201) 7.625 15.823 ( 4.850 -0.567 3.992) 6.307 15.882 ( 2.202 -1.367 8.463) 8.851 15.958 ( 4.606 5.016 -1.789) 7.041 16.314 ( 0.024 -4.034 -6.400) 7.566 23.752 ( -0.033 1.212 2.502) 2.780 23.875 ( -0.032 -1.864 0.680) 1.985 23.888 ( 0.167 0.579 0.713) 0.933 23.903 ( 0.035 -0.103 -2.653) 2.655 24.129 ( -1.537 0.476 11.892) 12.000 24.189 ( 0.079 -0.728 7.802) 7.837 24.586 ( -1.906 3.546 -6.822) 7.921 24.796 ( -8.304 0.957 -12.361) 14.922 26.409 ( -3.984 -0.856 2.569) 4.818 26.506 ( -1.278 -3.993 1.393) 4.418 26.571 ( -1.259 -2.587 -2.078) 3.549 26.684 ( 0.348 -5.186 -2.850) 5.928 27.022 ( -0.306 3.604 8.922) 9.627 27.103 ( 4.902 3.652 5.978) 8.550 27.316 ( 5.491 3.411 -2.772) 7.034 27.647 ( 1.500 -5.331 -9.650) 11.126 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 7.518 12.427 2.614) 14.758 1.601 ( 9.541 13.629 5.155) 17.418 1.723 ( -1.161 12.472 -2.637) 12.800 1.892 ( 3.621 -0.348 4.448) 5.746 2.089 ( 6.349 6.807 -5.843) 10.990 2.122 ( 0.180 12.186 5.117) 13.218 2.140 ( 1.211 5.570 0.703) 5.744 2.461 ( 11.982 5.832 0.348) 13.331 2.547 ( -4.447 -2.783 -2.287) 5.723 2.600 ( -5.970 -5.025 -0.951) 7.861 2.674 ( 9.872 2.704 -4.523) 11.190 2.820 ( 3.824 -5.087 -5.678) 8.529 2.885 ( -0.533 -1.872 5.837) 6.153 3.009 ( 6.844 -3.230 0.897) 7.621 3.046 ( 2.382 -0.246 1.596) 2.878 3.088 ( -1.201 -4.992 2.979) 5.936 3.230 ( 3.902 2.368 5.156) 6.887 3.296 ( 3.961 0.904 -0.735) 4.129 3.333 ( 2.983 -0.652 1.096) 3.244 3.392 ( 0.484 1.552 3.058) 3.464 3.509 ( -0.458 -1.750 1.949) 2.659 3.605 ( 7.486 0.587 -0.272) 7.514 3.665 ( 4.321 0.358 -4.046) 5.930 3.691 ( 13.097 -0.118 2.207) 13.282 3.822 ( 3.971 -0.944 0.389) 4.100 3.979 ( 3.122 2.020 -1.476) 4.001 4.021 ( 6.157 -0.944 1.217) 6.347 4.091 ( 5.877 -4.437 2.380) 7.739 4.235 ( 5.111 1.238 -0.066) 5.259 4.335 ( 6.463 7.914 -4.406) 11.128 4.472 ( 6.114 3.620 0.656) 7.135 4.522 ( 4.225 0.240 -2.489) 4.910 4.647 ( 11.644 1.275 5.694) 13.024 4.800 ( 7.258 -4.393 2.359) 8.805 4.998 ( 13.750 -3.599 -5.889) 15.385 5.071 ( 9.223 -7.533 -4.583) 12.760 6.178 ( -5.937 6.637 6.244) 10.876 6.397 ( -3.436 0.308 3.801) 5.133 6.538 ( -10.568 6.890 -6.268) 14.087 6.654 ( -3.107 0.601 -5.097) 6.000 6.919 ( 1.345 7.451 3.867) 8.501 7.091 ( 3.338 2.591 0.476) 4.253 7.140 ( 0.211 6.146 -1.687) 6.377 7.198 ( 1.905 2.593 -2.063) 3.822 7.338 ( -1.325 -5.160 3.521) 6.386 7.376 ( -1.681 -2.990 1.216) 3.640 7.540 ( -5.483 -7.625 0.445) 9.402 7.610 ( -3.421 -1.592 -3.378) 5.065 7.840 ( -2.531 -0.533 5.483) 6.063 8.067 ( 0.627 -8.381 0.065) 8.405 8.141 ( -0.658 -14.218 -0.851) 14.258 8.257 ( 2.359 -10.680 -3.880) 11.606 8.417 ( 1.465 13.769 2.747) 14.117 8.656 ( 0.923 5.915 -6.370) 8.742 8.751 ( 0.352 2.557 3.183) 4.097 8.962 ( 2.963 3.131 -4.804) 6.454 9.363 ( 2.337 -0.787 7.081) 7.498 9.761 ( 2.360 -0.501 -7.138) 7.535 9.927 ( -1.635 -16.811 3.721) 17.296 10.129 ( -4.121 -9.593 -4.232) 11.265 10.160 ( -8.918 -0.253 5.370) 10.413 10.285 ( -2.617 -4.550 1.713) 5.521 10.368 ( -4.157 -3.341 0.596) 5.366 10.413 ( -8.266 -2.769 -1.718) 8.885 11.962 ( -2.049 7.183 6.305) 9.775 12.242 ( -9.511 8.792 -4.644) 13.760 12.451 ( -3.439 -5.587 6.235) 9.051 12.784 ( 0.787 -6.387 -5.792) 8.658 12.962 ( -6.697 15.322 7.702) 18.410 13.469 ( -6.714 14.630 -11.057) 19.529 13.711 ( -7.612 -8.314 7.391) 13.480 14.226 ( -6.711 -8.865 -12.255) 16.547 14.982 ( -0.490 0.632 9.574) 9.607 15.063 ( 6.756 0.106 9.346) 11.533 15.423 ( -2.133 4.679 -4.920) 7.117 15.581 ( 10.465 -1.818 -8.329) 13.498 15.884 ( 1.957 -0.569 8.998) 9.226 16.003 ( 8.306 -3.461 2.034) 9.225 16.098 ( 8.350 0.394 -1.573) 8.506 16.312 ( -0.312 -4.019 -6.259) 7.444 23.752 ( -0.040 1.213 2.434) 2.719 23.874 ( -0.027 -1.991 0.835) 2.159 23.893 ( 0.300 1.088 0.361) 1.185 23.903 ( -0.082 0.657 -1.277) 1.439 24.095 ( -1.660 0.766 7.570) 7.788 24.191 ( 0.125 -1.148 7.469) 7.558 24.527 ( -3.613 3.975 -5.808) 7.912 24.648 ( -5.975 1.814 -9.344) 11.238 26.337 ( -3.055 0.074 2.578) 3.998 26.477 ( -1.284 -3.050 -0.745) 3.391 26.538 ( -2.188 -3.986 -0.538) 4.579 26.661 ( -2.212 -5.453 -2.591) 6.429 27.024 ( 0.433 5.697 7.109) 9.121 27.211 ( 5.210 3.017 4.455) 7.490 27.352 ( -1.249 2.178 -1.534) 2.943 27.732 ( 5.886 -8.063 -9.897) 14.057 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 2.447 11.003 -3.662) 11.852 1.641 ( 0.833 8.679 -3.612) 9.437 1.891 ( 10.844 7.227 5.683) 14.217 1.965 ( 4.568 2.205 5.045) 7.154 2.135 ( 1.097 0.449 -0.655) 1.354 2.179 ( 2.920 12.948 7.918) 15.456 2.214 ( 5.715 5.040 -2.218) 7.936 2.388 ( -8.115 2.238 1.807) 8.609 2.475 ( -6.056 -2.224 -2.115) 6.790 2.690 ( 8.052 3.626 -1.923) 9.038 2.761 ( -7.140 3.262 8.746) 11.752 2.843 ( 7.096 -0.925 -2.584) 7.608 2.927 ( 0.522 -1.740 -2.596) 3.169 2.998 ( 0.758 0.064 0.716) 1.045 3.054 ( -1.963 -4.683 2.341) 5.592 3.170 ( 4.160 -10.882 -2.452) 11.905 3.276 ( -0.349 1.050 -0.156) 1.117 3.354 ( 1.799 -2.557 -1.765) 3.590 3.377 ( 0.360 -4.920 -0.938) 5.021 3.427 ( 3.097 7.320 5.411) 9.615 3.520 ( 2.398 0.267 -2.007) 3.139 3.630 ( -1.454 -2.335 0.484) 2.793 3.791 ( 4.307 6.359 -4.091) 8.702 3.903 ( 4.489 -1.381 -2.511) 5.326 3.926 ( 9.131 -0.177 4.430) 10.151 4.037 ( 1.480 -2.692 -1.099) 3.263 4.073 ( 0.671 -0.910 1.561) 1.927 4.160 ( 1.030 -1.937 -0.173) 2.200 4.337 ( 4.993 3.166 3.578) 6.911 4.499 ( 0.510 2.722 3.328) 4.329 4.557 ( 8.103 4.725 -5.107) 10.680 4.645 ( 5.508 -0.602 -1.805) 5.827 4.835 ( 10.017 1.662 9.025) 13.585 5.071 ( 15.973 2.793 -0.488) 16.222 5.288 ( 11.574 -2.950 -4.835) 12.886 5.306 ( 12.966 -4.840 -4.695) 14.615 6.094 ( -2.557 5.604 3.832) 7.254 6.329 ( -3.034 -0.788 3.186) 4.469 6.379 ( -5.496 4.478 -4.483) 8.389 6.602 ( -1.716 -1.923 -6.034) 6.562 6.927 ( -0.292 8.186 4.104) 9.162 7.111 ( -0.452 7.602 -2.314) 7.959 7.163 ( 1.496 0.602 1.885) 2.481 7.241 ( 2.222 2.178 -1.539) 3.471 7.318 ( -0.295 -4.378 2.537) 5.069 7.355 ( -0.219 -2.816 0.962) 2.984 7.441 ( -3.821 -6.338 1.076) 7.479 7.567 ( -1.382 -6.457 -3.441) 7.446 7.752 ( -5.508 2.582 4.363) 7.486 7.993 ( -8.460 -9.395 -4.727) 13.497 8.111 ( -0.946 -11.107 3.038) 11.554 8.283 ( 0.579 -12.519 -3.262) 12.950 8.447 ( 1.351 14.111 3.032) 14.496 8.652 ( -0.473 9.784 -4.923) 10.964 8.760 ( 0.436 4.951 4.777) 6.893 9.018 ( 2.422 3.574 -4.282) 6.081 9.399 ( 1.091 -2.491 7.793) 8.254 9.810 ( 2.379 -2.041 -6.581) 7.289 9.902 ( -0.722 -16.638 1.887) 16.760 9.995 ( -6.762 0.891 4.151) 7.984 10.045 ( -3.742 -9.184 -4.479) 10.881 10.201 ( -5.791 0.295 -3.119) 6.584 10.264 ( -2.935 -7.702 3.408) 8.919 10.335 ( -1.775 -5.892 -0.096) 6.154 11.930 ( -1.108 6.907 3.418) 7.786 12.098 ( -4.784 9.910 -2.813) 11.358 12.392 ( -2.327 -5.684 7.591) 9.764 12.796 ( 0.623 -6.870 -6.012) 9.151 12.863 ( -3.366 12.656 6.286) 14.526 13.345 ( -5.268 15.635 -10.322) 19.461 13.593 ( -3.984 -7.925 7.541) 11.642 14.125 ( -3.312 -8.792 -12.734) 15.825 14.965 ( -0.863 2.360 8.327) 8.698 15.171 ( 3.874 -1.235 11.689) 12.376 15.358 ( -3.372 9.488 -4.685) 11.106 15.729 ( 4.466 0.326 -6.871) 8.202 15.925 ( 1.940 0.407 6.594) 6.886 16.147 ( 5.461 -5.270 1.704) 7.778 16.244 ( 5.598 -1.950 -1.681) 6.161 16.304 ( -0.369 -3.696 -6.057) 7.106 23.751 ( -0.036 1.207 2.160) 2.474 23.874 ( 0.040 -2.062 1.316) 2.446 23.897 ( 0.037 2.221 3.151) 3.855 23.901 ( 0.006 0.549 -3.094) 3.143 24.069 ( -0.908 0.593 4.005) 4.149 24.193 ( 0.091 -1.529 7.095) 7.259 24.473 ( -1.224 3.621 -5.617) 6.794 24.550 ( -4.155 1.520 -7.750) 8.924 26.291 ( -1.556 0.414 2.864) 3.286 26.458 ( -0.537 -2.298 -2.158) 3.198 26.495 ( -1.807 -4.864 0.858) 5.259 26.616 ( -1.926 -5.024 -2.106) 5.778 27.034 ( 0.468 7.119 5.448) 8.977 27.269 ( -0.106 6.115 -2.265) 6.522 27.339 ( 1.292 0.393 6.206) 6.351 27.830 ( 3.459 -10.601 -10.022) 14.993 ======================= Grid point 85 (35/60) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 0.000 10.295 -3.127) 10.759 1.673 ( -0.000 8.576 -5.098) 9.977 1.972 ( 0.000 -0.030 3.026) 3.026 2.120 ( 0.000 -6.206 -2.030) 6.530 2.123 ( -0.000 10.368 6.190) 12.075 2.194 ( 0.000 2.515 1.764) 3.072 2.286 ( 0.000 11.325 11.410) 16.076 2.320 ( -0.000 8.381 -1.079) 8.450 2.367 ( 0.000 -3.138 -1.990) 3.715 2.651 ( 0.000 7.159 10.154) 12.424 2.818 ( -0.000 7.736 -6.416) 10.050 2.874 ( 0.000 -2.782 -0.826) 2.902 2.943 ( 0.000 -1.596 1.015) 1.892 3.003 ( -0.000 -3.931 2.091) 4.453 3.035 ( -0.000 -1.911 1.500) 2.429 3.210 ( 0.000 -14.382 -5.841) 15.523 3.276 ( 0.000 1.094 -0.373) 1.156 3.353 ( -0.000 -4.545 -0.030) 4.545 3.382 ( 0.000 -2.884 -3.289) 4.375 3.457 ( 0.000 10.625 4.339) 11.477 3.565 ( 0.000 -0.837 -9.953) 9.988 3.604 ( 0.000 -6.403 9.395) 11.369 3.829 ( 0.000 8.197 -6.142) 10.243 3.949 ( -0.000 0.026 -4.943) 4.943 4.027 ( 0.000 -6.471 3.521) 7.367 4.065 ( 0.000 -1.145 1.544) 1.922 4.092 ( 0.000 2.963 1.381) 3.269 4.137 ( -0.000 -3.023 0.196) 3.029 4.425 ( -0.000 0.097 7.423) 7.424 4.440 ( 0.000 4.737 3.794) 6.069 4.677 ( -0.000 -1.801 -3.359) 3.812 4.680 ( 0.000 2.372 -4.769) 5.326 4.969 ( 0.000 5.390 8.962) 10.458 5.288 ( -0.000 5.227 -0.112) 5.228 5.377 ( 0.000 -0.812 -5.959) 6.014 5.458 ( 0.000 -4.428 -3.832) 5.856 6.071 ( 0.000 5.241 2.170) 5.672 6.297 ( 0.000 -2.206 4.165) 4.713 6.319 ( 0.000 3.904 -4.615) 6.045 6.588 ( 0.000 -2.682 -6.884) 7.388 6.921 ( 0.000 8.260 4.666) 9.487 7.106 ( 0.000 8.415 -1.954) 8.639 7.177 ( 0.000 -1.088 2.158) 2.417 7.264 ( 0.000 1.735 -1.493) 2.289 7.331 ( -0.000 -8.478 3.946) 9.352 7.358 ( 0.000 -3.369 2.164) 4.004 7.404 ( 0.000 -4.536 -0.114) 4.538 7.550 ( 0.000 -8.820 -4.164) 9.754 7.683 ( 0.000 4.969 2.564) 5.592 7.862 ( 0.000 -5.418 -4.549) 7.075 8.103 ( 0.000 -10.794 3.425) 11.325 8.288 ( 0.000 -12.870 -3.067) 13.230 8.462 ( 0.000 14.273 2.737) 14.533 8.648 ( 0.000 11.348 -4.455) 12.191 8.764 ( 0.000 5.492 5.499) 7.772 9.045 ( 0.000 3.232 -4.341) 5.412 9.408 ( 0.000 -3.229 8.120) 8.739 9.840 ( -0.000 -2.930 -7.167) 7.743 9.900 ( 0.000 -18.089 0.509) 18.096 9.920 ( -0.000 3.187 4.359) 5.400 10.001 ( 0.000 -9.707 -4.328) 10.628 10.137 ( 0.000 1.762 -3.514) 3.931 10.236 ( 0.000 -7.740 4.224) 8.817 10.317 ( 0.000 -7.348 -0.024) 7.349 11.919 ( 0.000 6.647 2.310) 7.037 12.051 ( 0.000 9.933 -2.320) 10.200 12.367 ( 0.000 -5.648 8.213) 9.967 12.812 ( 0.000 -11.667 -7.726) 13.993 12.821 ( -0.000 15.733 7.153) 17.283 13.287 ( 0.000 16.830 -9.719) 19.435 13.554 ( 0.000 -7.754 7.596) 10.854 14.093 ( -0.000 -8.887 -12.958) 15.712 14.956 ( 0.000 2.858 7.745) 8.256 15.212 ( -0.000 -2.665 13.542) 13.801 15.318 ( 0.000 11.855 -5.490) 13.065 15.771 ( 0.000 1.236 -5.464) 5.602 15.946 ( 0.000 0.784 4.780) 4.844 16.203 ( 0.000 -5.784 1.723) 6.035 16.300 ( -0.000 -3.442 -5.940) 6.865 16.302 ( 0.000 -2.528 -1.733) 3.065 23.750 ( -0.000 1.205 1.975) 2.314 23.875 ( -0.000 -2.125 1.750) 2.753 23.896 ( 0.000 2.790 4.626) 5.402 23.902 ( 0.000 0.374 -4.397) 4.413 24.060 ( -0.000 0.472 2.773) 2.813 24.194 ( 0.000 -1.678 6.928) 7.129 24.482 ( 0.000 3.062 -8.454) 8.991 24.487 ( -0.000 1.720 -4.384) 4.709 26.275 ( 0.000 0.501 2.985) 3.027 26.454 ( 0.000 -0.982 -3.690) 3.819 26.475 ( -0.000 -6.155 2.424) 6.615 26.595 ( 0.000 -4.785 -1.880) 5.141 27.039 ( 0.000 7.605 4.820) 9.003 27.259 ( 0.000 7.506 -3.245) 8.178 27.361 ( 0.000 -0.483 7.655) 7.670 27.865 ( 0.000 -11.360 -10.011) 15.141 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.000 11.798 7.080) 13.760 1.733 ( 0.000 12.254 5.821) 13.566 1.740 ( 0.000 3.238 4.204) 5.306 2.028 ( 0.000 -2.701 -6.992) 7.496 2.095 ( 0.000 3.953 -3.241) 5.112 2.117 ( 0.000 0.566 -10.919) 10.934 2.222 ( 0.000 6.000 -10.000) 11.662 2.232 ( 0.000 1.569 -4.163) 4.449 2.481 ( 0.000 8.079 0.756) 8.114 2.619 ( 0.000 -5.201 -1.636) 5.453 2.642 ( 0.000 2.670 4.081) 4.877 2.671 ( 0.000 -6.154 -4.239) 7.473 2.734 ( 0.000 -7.436 -5.804) 9.433 2.775 ( 0.000 1.314 1.730) 2.172 2.800 ( 0.000 -4.808 8.743) 9.978 2.819 ( 0.000 -5.390 4.575) 7.070 3.161 ( 0.000 1.412 2.243) 2.651 3.181 ( 0.000 1.222 1.949) 2.300 3.291 ( 0.000 2.299 1.783) 2.909 3.329 ( 0.000 -1.558 0.286) 1.584 3.371 ( 0.000 3.985 3.938) 5.603 3.451 ( 0.000 -1.757 1.585) 2.366 3.582 ( 0.000 1.462 -3.269) 3.581 3.649 ( 0.000 -2.762 -3.879) 4.762 3.698 ( 0.000 11.276 11.344) 15.995 3.826 ( 0.000 1.187 4.949) 5.090 3.856 ( 0.000 -3.465 3.318) 4.797 3.951 ( 0.000 -9.314 3.808) 10.062 4.096 ( 0.000 9.567 -0.782) 9.599 4.286 ( 0.000 -7.956 1.183) 8.044 4.392 ( 0.000 4.048 -2.541) 4.779 4.462 ( 0.000 -2.329 -3.054) 3.841 4.512 ( 0.000 8.003 0.411) 8.014 4.649 ( 0.000 -2.242 0.658) 2.337 4.690 ( 0.000 -1.368 -6.783) 6.920 4.713 ( 0.000 -8.128 -0.420) 8.139 6.520 ( 0.000 2.751 9.267) 9.666 6.530 ( 0.000 1.343 5.975) 6.125 6.846 ( 0.000 5.235 -3.429) 6.258 6.903 ( 0.000 -0.991 -1.376) 1.695 6.909 ( 0.000 5.913 2.661) 6.484 7.055 ( 0.000 -6.351 -0.547) 6.374 7.129 ( 0.000 3.030 -4.090) 5.090 7.170 ( 0.000 -1.049 -3.536) 3.688 7.323 ( 0.000 0.549 2.800) 2.853 7.384 ( 0.000 -5.974 5.575) 8.171 7.506 ( 0.000 4.070 -4.063) 5.750 7.685 ( 0.000 -14.052 -5.141) 14.963 7.848 ( 0.000 1.616 1.112) 1.961 7.896 ( 0.000 -3.262 1.215) 3.481 7.923 ( 0.000 4.512 -1.789) 4.854 8.026 ( 0.000 -5.605 -4.717) 7.325 8.618 ( 0.000 8.863 0.027) 8.863 8.714 ( 0.000 -1.699 0.810) 1.882 8.722 ( 0.000 9.790 -5.105) 11.041 8.859 ( 0.000 -3.685 -6.638) 7.592 9.373 ( 0.000 7.224 7.395) 10.338 9.614 ( 0.000 -16.181 7.037) 17.646 9.783 ( 0.000 5.588 -7.498) 9.351 9.953 ( 0.000 -11.355 -5.415) 12.580 10.354 ( 0.000 -0.655 6.015) 6.050 10.356 ( 0.000 -0.854 7.359) 7.409 10.489 ( 0.000 2.936 -0.312) 2.953 10.560 ( 0.000 -4.110 -1.304) 4.312 12.192 ( 0.000 9.223 7.962) 12.184 12.366 ( 0.000 -7.788 5.424) 9.491 12.674 ( 0.000 1.608 -10.002) 10.131 12.703 ( 0.000 -1.191 -6.604) 6.710 13.487 ( 0.000 13.202 8.786) 15.858 13.737 ( 0.000 -11.802 7.607) 14.041 13.975 ( 0.000 14.251 -10.294) 17.580 14.233 ( 0.000 -11.546 -11.534) 16.320 14.873 ( 0.000 0.423 7.395) 7.407 14.894 ( 0.000 -2.249 9.470) 9.733 15.179 ( 0.000 4.599 -4.932) 6.743 15.280 ( 0.000 -5.482 -5.785) 7.970 15.792 ( 0.000 1.638 5.458) 5.698 15.829 ( 0.000 -1.959 7.955) 8.193 16.070 ( 0.000 7.658 -4.532) 8.899 16.211 ( 0.000 -6.232 -5.882) 8.569 23.786 ( 0.000 2.044 1.853) 2.759 23.831 ( 0.000 -2.378 1.195) 2.661 23.896 ( 0.000 0.279 -1.683) 1.706 23.898 ( 0.000 -0.055 -2.745) 2.746 24.158 ( 0.000 0.820 12.498) 12.525 24.175 ( 0.000 -0.805 9.978) 10.011 24.697 ( 0.000 5.500 -9.144) 10.671 24.813 ( 0.000 -5.777 -11.956) 13.278 26.438 ( 0.000 -0.840 3.232) 3.340 26.444 ( 0.000 -1.621 2.461) 2.947 26.574 ( 0.000 0.315 -2.182) 2.205 26.604 ( 0.000 -2.425 -2.847) 3.739 27.081 ( 0.000 1.904 8.854) 9.057 27.092 ( 0.000 1.075 5.684) 5.785 27.395 ( 0.000 7.322 -5.046) 8.892 27.526 ( 0.000 -6.027 -7.294) 9.462 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 4.125 10.881 5.725) 12.969 1.766 ( 2.849 -4.745 3.411) 6.501 1.817 ( 6.088 18.764 4.534) 20.241 2.005 ( -4.338 4.975 -9.767) 11.788 2.078 ( 1.152 -0.831 -3.746) 4.006 2.127 ( 1.503 -0.659 -5.379) 5.624 2.248 ( 6.184 3.841 -3.295) 7.991 2.394 ( 8.206 -4.904 -7.361) 12.065 2.510 ( 2.101 11.714 4.470) 12.712 2.604 ( -0.509 1.994 0.134) 2.062 2.649 ( -0.084 0.978 -4.120) 4.235 2.687 ( 2.930 -4.664 -1.371) 5.676 2.785 ( 1.991 -5.216 4.193) 6.982 2.805 ( 4.382 -6.638 -1.864) 8.169 2.824 ( 3.876 -2.430 3.851) 5.980 2.900 ( 6.452 -5.658 1.901) 8.789 3.240 ( 4.103 2.732 2.274) 5.428 3.281 ( 6.788 1.704 1.004) 7.070 3.310 ( 1.594 -0.973 2.239) 2.916 3.344 ( 3.308 -1.037 2.050) 4.027 3.420 ( 4.179 1.867 1.577) 4.841 3.470 ( 3.803 0.502 2.828) 4.766 3.572 ( 0.998 2.169 -1.896) 3.048 3.657 ( 1.261 -1.869 -3.462) 4.132 3.750 ( 4.864 9.975 9.799) 14.804 3.872 ( 4.384 0.931 3.257) 5.540 3.904 ( 4.732 -2.889 2.246) 5.982 3.974 ( 1.928 -6.295 2.178) 6.935 4.149 ( 5.668 7.806 0.273) 9.650 4.334 ( 4.653 -5.895 0.027) 7.510 4.412 ( 2.563 1.977 -1.580) 3.602 4.470 ( 1.408 -1.122 -2.712) 3.256 4.552 ( 3.945 6.567 0.796) 7.702 4.664 ( 0.689 2.080 0.671) 2.292 4.704 ( 4.565 -6.620 -3.471) 8.758 4.775 ( 4.838 -7.295 -2.557) 9.119 6.434 ( -6.821 3.986 7.748) 11.066 6.477 ( -4.626 -0.426 5.271) 7.026 6.790 ( -5.503 4.089 -5.162) 8.582 6.838 ( -8.765 0.004 -6.030) 10.639 6.972 ( 4.785 4.066 4.340) 7.633 7.027 ( 3.305 -1.256 3.512) 4.983 7.188 ( 2.905 2.049 -2.227) 4.195 7.219 ( 3.499 0.137 -3.274) 4.794 7.299 ( -1.974 0.594 2.632) 3.343 7.361 ( -1.882 -4.134 3.673) 5.841 7.488 ( -2.286 0.858 -3.305) 4.109 7.632 ( -4.241 -10.608 -6.059) 12.932 7.860 ( 0.508 0.697 1.982) 2.161 7.908 ( 1.031 -3.610 1.089) 3.909 7.938 ( 1.183 2.154 -0.768) 2.575 8.048 ( 1.742 -6.744 -4.268) 8.169 8.637 ( 1.840 9.644 0.680) 9.841 8.740 ( 2.355 -1.163 1.311) 2.935 8.772 ( 4.076 9.288 -5.272) 11.432 8.899 ( 3.619 -3.041 -6.182) 7.783 9.373 ( -0.041 6.218 7.323) 9.607 9.603 ( -1.115 -16.023 6.691) 17.400 9.776 ( -0.600 4.412 -7.153) 8.426 9.935 ( -1.760 -11.529 -5.330) 12.823 10.302 ( -5.095 -0.206 6.717) 8.433 10.310 ( -4.141 -1.035 5.631) 7.066 10.452 ( -3.623 2.062 -0.501) 4.198 10.505 ( -5.271 -3.269 -1.495) 6.380 12.174 ( -1.705 9.262 7.166) 11.834 12.347 ( -1.795 -7.631 5.287) 9.456 12.593 ( -6.731 4.857 -7.981) 11.514 12.686 ( -2.113 -4.250 -6.684) 8.197 13.404 ( -7.076 13.680 8.187) 17.442 13.658 ( -6.964 -11.602 7.532) 15.487 13.897 ( -6.540 13.960 -10.704) 18.768 14.157 ( -6.616 -11.950 -11.581) 17.908 14.935 ( 5.452 0.186 8.756) 10.317 14.943 ( 3.892 -0.942 10.147) 10.909 15.313 ( 11.478 2.602 -5.907) 13.169 15.377 ( 7.805 -3.493 -6.575) 10.787 15.826 ( 3.184 0.780 5.405) 6.322 15.851 ( 2.461 -1.541 6.990) 7.569 16.081 ( 1.315 6.792 -4.141) 8.063 16.213 ( 0.136 -6.058 -5.708) 8.324 23.785 ( -0.032 2.045 1.902) 2.793 23.831 ( -0.035 -2.375 1.247) 2.682 23.898 ( 0.232 0.375 -2.236) 2.279 23.903 ( 0.426 -0.090 -2.312) 2.352 24.147 ( -0.957 1.173 11.687) 11.785 24.171 ( -0.353 -1.083 9.666) 9.733 24.669 ( -2.680 4.605 -8.639) 10.150 24.758 ( -4.931 -3.883 -10.812) 12.502 26.403 ( -2.572 0.514 2.769) 3.814 26.435 ( -1.337 -2.691 2.811) 4.115 26.551 ( -1.921 0.583 -2.652) 3.326 26.594 ( -1.218 -3.538 -2.730) 4.632 27.097 ( 1.774 3.370 7.447) 8.365 27.136 ( 3.714 -0.273 6.269) 7.292 27.422 ( 1.946 6.033 -5.036) 8.096 27.538 ( 1.376 -5.604 -7.071) 9.127 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 5.493 8.582 2.230) 10.431 1.838 ( 3.947 -3.948 2.113) 5.969 1.887 ( -1.838 12.247 -4.505) 13.178 1.958 ( 2.683 8.495 0.325) 8.914 2.081 ( -0.020 -1.584 -2.903) 3.307 2.188 ( 3.602 -0.451 -1.943) 4.118 2.376 ( 4.273 -3.366 -1.825) 5.738 2.477 ( 0.891 -4.010 -3.503) 5.399 2.523 ( -0.203 12.092 6.695) 13.823 2.626 ( 3.548 7.770 -0.121) 8.542 2.721 ( 4.582 -2.392 -0.135) 5.171 2.759 ( 5.204 1.714 -4.605) 7.157 2.826 ( 2.951 -8.016 4.687) 9.743 2.901 ( 3.423 -8.359 -0.699) 9.060 2.923 ( 5.506 1.737 -0.042) 5.774 3.026 ( 4.348 -5.275 -0.590) 6.862 3.221 ( -1.960 1.126 3.923) 4.528 3.281 ( -3.487 -4.225 2.046) 5.848 3.358 ( 1.921 3.378 -0.828) 3.973 3.448 ( 2.828 -4.828 -0.303) 5.603 3.497 ( 2.732 6.727 2.425) 7.655 3.608 ( 2.924 -4.172 -0.103) 5.096 3.689 ( 12.643 5.174 -0.511) 13.670 3.769 ( 9.693 -0.771 -2.833) 10.128 3.860 ( 5.602 8.635 6.586) 12.220 3.965 ( 3.293 0.221 1.994) 3.855 3.993 ( 2.696 -2.751 1.430) 4.109 4.032 ( 4.696 -4.231 1.039) 6.406 4.312 ( 8.077 7.510 1.255) 11.100 4.450 ( 7.784 1.774 -0.719) 8.016 4.492 ( 2.540 -2.697 -0.596) 3.753 4.533 ( 5.681 -1.053 -1.664) 6.013 4.726 ( 8.833 7.653 1.905) 11.842 4.742 ( 15.192 1.196 1.698) 15.334 4.873 ( 12.587 -7.338 -2.223) 14.738 4.921 ( 10.840 -7.841 -1.910) 13.515 6.299 ( -6.106 5.157 5.314) 9.598 6.377 ( -5.050 -2.492 3.938) 6.871 6.634 ( -10.115 2.864 -5.926) 12.068 6.661 ( -6.801 -0.158 -5.587) 8.803 7.055 ( 2.901 5.231 4.261) 7.344 7.110 ( 3.487 -0.527 3.486) 4.959 7.235 ( 1.614 2.702 -0.997) 3.302 7.262 ( -1.055 1.832 0.900) 2.297 7.275 ( 1.786 0.041 -1.770) 2.514 7.325 ( -1.506 -3.030 1.799) 3.832 7.416 ( -4.396 -0.258 -2.510) 5.069 7.547 ( -4.232 -7.538 -6.036) 10.543 7.853 ( -1.333 1.541 2.707) 3.388 7.921 ( 0.019 -4.804 1.282) 4.972 7.950 ( -0.450 -0.418 -0.367) 0.715 8.071 ( 0.062 -8.669 -3.584) 9.381 8.683 ( 2.526 11.160 1.774) 11.579 8.794 ( 2.720 0.072 2.311) 3.570 8.848 ( 3.082 10.176 -4.885) 11.701 8.980 ( 4.041 -2.307 -5.134) 6.929 9.369 ( -0.425 3.536 7.420) 8.231 9.572 ( -1.907 -15.983 5.797) 17.109 9.763 ( -0.595 1.526 -6.407) 6.613 9.886 ( -2.995 -11.046 -5.384) 12.648 10.173 ( -7.139 1.342 5.507) 9.115 10.211 ( -5.140 -2.526 4.777) 7.458 10.357 ( -5.775 0.403 -1.331) 5.940 10.373 ( -6.909 -1.302 -1.801) 7.257 12.132 ( -2.301 9.073 5.511) 10.862 12.301 ( -2.593 -7.246 5.097) 9.231 12.447 ( -7.122 9.124 -5.487) 12.809 12.631 ( -3.056 -8.723 -6.126) 11.089 13.257 ( -6.785 13.901 7.598) 17.233 13.510 ( -6.961 -11.297 7.458) 15.221 13.759 ( -6.650 13.798 -11.222) 18.988 14.018 ( -6.526 -11.890 -11.857) 18.016 15.008 ( 2.203 1.907 11.110) 11.486 15.047 ( 4.899 -1.647 11.274) 12.402 15.507 ( 4.991 3.281 -7.482) 9.574 15.551 ( 10.090 -1.453 -8.030) 12.977 15.893 ( 3.471 1.466 6.401) 7.428 15.938 ( 5.673 -2.907 4.035) 7.544 16.133 ( 3.861 3.220 -3.263) 5.993 16.218 ( 0.522 -4.945 -5.160) 7.166 23.784 ( -0.052 2.036 1.977) 2.838 23.830 ( -0.055 -2.374 1.422) 2.768 23.904 ( 0.370 0.538 -2.810) 2.885 23.913 ( 0.481 -0.097 -1.908) 1.970 24.124 ( -1.242 1.913 9.817) 10.078 24.162 ( -0.463 -1.738 8.907) 9.087 24.600 ( -3.890 3.269 -7.429) 9.001 24.650 ( -5.275 -1.476 -8.958) 10.500 26.351 ( -2.426 1.531 2.672) 3.920 26.402 ( -1.670 -3.542 2.656) 4.731 26.507 ( -2.292 0.673 -2.910) 3.764 26.558 ( -2.134 -4.223 -2.710) 5.452 27.140 ( 2.303 5.391 6.094) 8.456 27.219 ( 4.162 -2.117 5.881) 7.510 27.445 ( 0.216 6.370 -4.788) 7.971 27.582 ( 2.624 -7.174 -6.617) 10.106 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 2.962 7.293 -2.269) 8.192 1.835 ( -1.850 9.802 -3.919) 10.717 1.909 ( 2.714 -3.519 0.361) 4.458 1.995 ( -0.220 -4.959 -2.692) 5.647 2.134 ( 5.364 6.250 4.017) 9.164 2.242 ( 1.459 -2.397 1.627) 3.243 2.400 ( -0.378 3.698 -1.577) 4.038 2.462 ( -1.704 -1.100 -3.190) 3.780 2.548 ( 2.226 13.943 6.763) 15.655 2.720 ( 3.590 -0.231 4.919) 6.094 2.769 ( 2.514 -1.036 2.591) 3.756 2.873 ( 1.690 -0.321 1.835) 2.516 2.886 ( 4.432 -5.075 -5.897) 8.954 2.941 ( 0.702 -2.721 -1.278) 3.087 3.001 ( 2.246 -0.565 -0.292) 2.334 3.034 ( -1.430 1.250 -0.264) 1.917 3.222 ( -1.528 -4.544 1.757) 5.106 3.235 ( 1.376 -5.752 2.133) 6.287 3.378 ( 0.416 4.152 -4.284) 5.981 3.478 ( 0.975 -4.697 -6.082) 7.746 3.547 ( 2.324 4.651 6.999) 8.719 3.624 ( -0.210 -1.512 3.857) 4.148 3.893 ( 4.755 1.595 -3.024) 5.857 3.904 ( 4.017 2.178 -3.353) 5.668 3.953 ( 3.623 1.734 1.586) 4.319 3.989 ( 0.473 -0.290 2.656) 2.714 4.054 ( 3.781 0.135 1.011) 3.916 4.114 ( 2.510 -3.153 -0.373) 4.047 4.403 ( 2.469 3.676 3.953) 5.936 4.491 ( -1.207 -4.236 3.800) 5.817 4.621 ( 5.940 2.849 -3.391) 7.409 4.645 ( 4.721 0.461 -1.900) 5.109 4.968 ( 13.997 9.697 5.047) 17.760 5.121 ( 18.699 2.330 -0.464) 18.850 5.165 ( 14.109 -7.878 0.903) 16.185 5.213 ( 15.595 -4.786 -1.731) 16.404 6.204 ( -3.269 5.039 2.690) 6.581 6.287 ( -3.751 -3.225 2.610) 5.593 6.468 ( -6.133 4.253 -5.714) 9.400 6.547 ( -4.132 -3.541 -6.338) 8.354 7.080 ( -0.057 5.882 4.258) 7.261 7.144 ( 0.208 -1.487 3.352) 3.673 7.241 ( -0.124 0.633 1.360) 1.506 7.260 ( -0.132 3.949 -0.882) 4.048 7.298 ( -0.600 0.497 -0.494) 0.923 7.304 ( 0.503 -1.979 -0.769) 2.182 7.337 ( -2.977 -1.348 -1.467) 3.582 7.454 ( -5.270 -6.456 -4.682) 9.559 7.810 ( -2.525 3.411 2.271) 4.813 7.904 ( -2.075 0.675 -0.559) 2.253 7.920 ( -1.527 -5.602 1.476) 5.991 8.054 ( -1.089 -10.187 -2.581) 10.566 8.729 ( 1.937 12.247 1.999) 12.559 8.838 ( 1.585 1.622 3.107) 3.846 8.890 ( 1.231 11.712 -4.115) 12.475 9.044 ( 2.240 -2.444 -4.445) 5.545 9.356 ( -0.705 0.780 7.866) 7.936 9.536 ( -1.527 -16.556 4.831) 17.314 9.754 ( -0.226 -1.616 -5.998) 6.216 9.827 ( -2.733 -9.448 -5.696) 11.365 10.049 ( -4.731 3.474 4.395) 7.333 10.128 ( -2.974 -4.632 4.296) 6.982 10.235 ( -4.949 1.713 -2.574) 5.835 10.272 ( -3.619 -2.046 -1.601) 4.455 12.091 ( -1.572 8.605 4.104) 9.662 12.255 ( -1.846 -7.133 5.258) 9.051 12.333 ( -4.089 11.954 -4.183) 13.309 12.579 ( -1.923 -12.088 -5.909) 13.592 13.153 ( -3.537 13.810 7.363) 16.045 13.403 ( -3.658 -11.081 7.426) 13.832 13.649 ( -4.092 14.508 -11.049) 18.689 13.916 ( -3.528 -12.074 -12.045) 17.416 15.031 ( 0.388 4.077 11.310) 12.029 15.115 ( 2.028 -3.937 13.077) 13.806 15.558 ( 0.861 9.501 -8.253) 12.614 15.700 ( 4.631 -4.094 -9.035) 10.946 15.958 ( 2.690 3.073 5.590) 6.923 16.042 ( 4.116 -5.031 3.449) 7.359 16.215 ( 3.635 -0.642 -2.796) 4.631 16.233 ( 0.864 -2.640 -4.450) 5.246 23.783 ( -0.044 2.025 1.975) 2.829 23.829 ( -0.033 -2.401 1.687) 2.934 23.911 ( 0.253 0.661 -3.301) 3.376 23.921 ( 0.291 -0.027 -1.410) 1.440 24.103 ( -0.811 2.518 8.027) 8.451 24.154 ( -0.306 -2.373 8.121) 8.466 24.534 ( -2.279 2.341 -6.497) 7.272 24.562 ( -3.416 -0.407 -7.612) 8.353 26.313 ( -1.319 2.007 2.625) 3.558 26.375 ( -0.935 -4.227 2.528) 5.013 26.468 ( -1.521 0.947 -2.920) 3.426 26.519 ( -1.527 -4.073 -2.516) 5.025 27.179 ( 1.467 6.859 4.934) 8.576 27.288 ( 2.534 -3.634 5.488) 7.053 27.439 ( -0.476 8.633 -4.257) 9.637 27.625 ( 1.523 -9.845 -6.271) 11.772 ======================= Grid point 94 (40/60) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.000 9.154 -3.059) 9.651 1.832 ( 0.000 7.176 -4.334) 8.383 1.937 ( 0.000 -3.737 -0.707) 3.804 1.987 ( 0.000 -7.538 -2.750) 8.024 2.229 ( -0.000 0.608 3.017) 3.077 2.230 ( 0.000 1.333 6.084) 6.228 2.398 ( -0.000 5.502 -4.566) 7.150 2.437 ( 0.000 3.751 -0.524) 3.788 2.576 ( -0.000 12.939 7.583) 14.997 2.740 ( 0.000 -1.761 9.427) 9.590 2.818 ( 0.000 -1.485 0.539) 1.580 2.871 ( -0.000 -5.786 0.911) 5.857 2.929 ( 0.000 1.359 -2.449) 2.801 2.953 ( -0.000 -1.144 -6.126) 6.232 3.012 ( 0.000 0.694 2.804) 2.889 3.029 ( 0.000 0.591 -2.906) 2.966 3.216 ( 0.000 -5.820 0.934) 5.895 3.239 ( -0.000 -6.106 0.359) 6.116 3.384 ( 0.000 4.228 -4.603) 6.250 3.489 ( 0.000 -5.405 -7.634) 9.353 3.580 ( -0.000 2.701 8.719) 9.128 3.612 ( 0.000 2.517 4.884) 5.494 3.927 ( -0.000 -1.564 3.729) 4.043 3.938 ( 0.000 -1.002 -3.024) 3.185 3.966 ( 0.000 4.135 -4.649) 6.222 4.025 ( 0.000 -2.485 0.792) 2.608 4.110 ( -0.000 0.540 -1.294) 1.402 4.125 ( 0.000 0.105 -0.883) 0.889 4.433 ( -0.000 0.998 6.088) 6.170 4.468 ( 0.000 -1.687 5.359) 5.619 4.676 ( -0.000 1.371 -3.285) 3.560 4.697 ( 0.000 -0.085 -3.061) 3.062 5.135 ( 0.000 9.876 6.185) 11.653 5.325 ( 0.000 -8.569 2.678) 8.978 5.359 ( -0.000 1.648 -0.177) 1.657 5.368 ( 0.000 -0.034 -2.473) 2.473 6.172 ( 0.000 4.403 1.021) 4.520 6.244 ( 0.000 -2.985 2.081) 3.639 6.404 ( 0.000 4.804 -5.854) 7.573 6.507 ( 0.000 -5.105 -7.319) 8.923 7.074 ( 0.000 5.771 4.634) 7.401 7.142 ( 0.000 -2.248 3.468) 4.132 7.241 ( 0.000 -0.111 1.554) 1.558 7.253 ( 0.000 5.355 -0.726) 5.404 7.285 ( -0.000 -1.275 -0.044) 1.276 7.302 ( 0.000 -0.879 -1.188) 1.478 7.331 ( -0.000 -2.496 -0.845) 2.635 7.372 ( 0.000 -6.604 -4.542) 8.015 7.780 ( 0.000 4.875 1.843) 5.212 7.871 ( 0.000 5.381 -1.302) 5.537 7.907 ( 0.000 -8.280 2.448) 8.634 8.043 ( 0.000 -11.114 -2.193) 11.328 8.751 ( 0.000 12.634 1.695) 12.747 8.854 ( 0.000 2.037 3.802) 4.314 8.901 ( 0.000 12.562 -4.158) 13.232 9.067 ( 0.000 -2.699 -4.272) 5.054 9.348 ( 0.000 -0.259 8.119) 8.123 9.519 ( 0.000 -17.031 4.429) 17.598 9.755 ( -0.000 -3.402 -6.275) 7.138 9.793 ( 0.000 -8.190 -5.598) 9.920 10.001 ( 0.000 4.535 3.999) 6.047 10.098 ( 0.000 -5.499 4.234) 6.940 10.185 ( 0.000 2.524 -2.955) 3.887 10.234 ( 0.000 -2.641 -1.579) 3.077 12.075 ( 0.000 8.349 3.558) 9.076 12.235 ( 0.000 -7.482 5.566) 9.325 12.291 ( 0.000 13.248 -4.008) 13.841 12.559 ( 0.000 -13.349 -5.881) 14.587 13.118 ( 0.000 13.803 7.264) 15.598 13.366 ( 0.000 -10.987 7.405) 13.250 13.607 ( 0.000 15.018 -10.811) 18.505 13.881 ( 0.000 -12.303 -12.067) 17.233 15.033 ( 0.000 4.788 11.259) 12.235 15.134 ( 0.000 -4.879 13.649) 14.495 15.564 ( 0.000 11.758 -8.394) 14.447 15.743 ( 0.000 -5.238 -9.376) 10.740 15.987 ( 0.000 3.619 5.249) 6.376 16.085 ( 0.000 -5.796 3.359) 6.699 16.244 ( 0.000 -1.341 -4.163) 4.374 16.254 ( 0.000 -1.925 -2.703) 3.318 23.783 ( 0.000 2.023 1.948) 2.808 23.828 ( 0.000 -2.423 1.828) 3.036 23.913 ( 0.000 0.709 -3.471) 3.543 23.924 ( 0.000 0.027 -1.179) 1.180 24.095 ( 0.000 2.731 7.295) 7.790 24.151 ( 0.000 -2.629 7.784) 8.216 24.517 ( 0.000 1.079 -5.898) 5.996 24.521 ( -0.000 0.787 -7.412) 7.453 26.300 ( 0.000 2.151 2.603) 3.376 26.366 ( 0.000 -4.504 2.490) 5.146 26.452 ( 0.000 1.110 -2.899) 3.104 26.503 ( 0.000 -3.926 -2.394) 4.598 27.195 ( 0.000 7.371 4.484) 8.627 27.314 ( 0.000 -4.280 5.356) 6.856 27.433 ( 0.000 9.727 -4.026) 10.527 27.640 ( 0.000 -10.903 -6.124) 12.505 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.000 0.000 -21.828) 21.828 1.188 ( 0.000 0.000 21.828) 21.828 1.260 ( 0.000 0.000 -26.403) 26.403 1.260 ( 0.000 0.000 26.403) 26.403 1.674 ( 0.000 0.000 -4.651) 4.651 1.674 ( 0.000 0.000 4.651) 4.651 1.998 ( 0.000 0.000 -8.739) 8.739 1.998 ( 0.000 0.000 8.739) 8.739 2.276 ( 0.000 0.000 -30.601) 30.601 2.276 ( 0.000 0.000 30.601) 30.601 2.897 ( 0.000 0.000 -0.396) 0.396 2.897 ( 0.000 0.000 0.396) 0.396 2.938 ( 0.000 0.000 -3.870) 3.870 2.938 ( 0.000 0.000 3.870) 3.870 3.076 ( 0.000 0.000 -6.503) 6.503 3.076 ( 0.000 0.000 6.503) 6.503 3.187 ( 0.000 0.000 -7.700) 7.700 3.187 ( 0.000 0.000 7.700) 7.700 3.228 ( 0.000 0.000 -1.278) 1.278 3.228 ( 0.000 0.000 1.278) 1.278 3.511 ( 0.000 0.000 -11.730) 11.730 3.511 ( 0.000 0.000 11.730) 11.730 3.616 ( 0.000 0.000 -5.274) 5.274 3.616 ( 0.000 0.000 5.274) 5.274 3.981 ( 0.000 0.000 -3.674) 3.674 3.981 ( 0.000 0.000 3.674) 3.674 4.016 ( 0.000 0.000 -11.602) 11.602 4.016 ( 0.000 0.000 11.602) 11.602 4.186 ( 0.000 0.000 -3.431) 3.431 4.186 ( 0.000 0.000 3.431) 3.431 4.275 ( 0.000 0.000 -2.288) 2.288 4.275 ( 0.000 0.000 2.288) 2.288 4.402 ( 0.000 0.000 -12.105) 12.105 4.402 ( 0.000 0.000 12.105) 12.105 4.998 ( 0.000 0.000 -6.851) 6.851 4.998 ( 0.000 0.000 6.851) 6.851 6.237 ( 0.000 0.000 -5.046) 5.046 6.237 ( 0.000 0.000 5.046) 5.046 6.537 ( 0.000 0.000 -5.466) 5.466 6.537 ( 0.000 0.000 5.466) 5.466 6.819 ( 0.000 0.000 -5.785) 5.785 6.819 ( 0.000 0.000 5.785) 5.785 7.050 ( 0.000 0.000 -3.682) 3.682 7.050 ( 0.000 0.000 3.682) 3.682 7.598 ( 0.000 0.000 -1.480) 1.480 7.598 ( 0.000 0.000 1.480) 1.480 7.816 ( 0.000 0.000 -0.175) 0.175 7.816 ( 0.000 0.000 0.175) 0.175 8.049 ( 0.000 0.000 -1.079) 1.079 8.049 ( 0.000 0.000 1.079) 1.079 8.115 ( 0.000 0.000 -4.135) 4.135 8.115 ( 0.000 0.000 4.135) 4.135 8.542 ( 0.000 0.000 -2.602) 2.602 8.542 ( 0.000 0.000 2.602) 2.602 8.870 ( 0.000 0.000 -0.462) 0.462 8.870 ( 0.000 0.000 0.462) 0.462 9.455 ( 0.000 0.000 -9.188) 9.188 9.455 ( 0.000 0.000 9.188) 9.188 10.249 ( 0.000 0.000 -0.630) 0.630 10.249 ( 0.000 0.000 0.630) 0.630 10.524 ( 0.000 0.000 -1.714) 1.714 10.524 ( 0.000 0.000 1.714) 1.714 10.637 ( 0.000 0.000 -7.666) 7.666 10.637 ( 0.000 0.000 7.666) 7.666 12.394 ( 0.000 0.000 -1.394) 1.394 12.394 ( 0.000 0.000 1.394) 1.394 12.659 ( 0.000 0.000 -3.155) 3.155 12.659 ( 0.000 0.000 3.155) 3.155 12.968 ( 0.000 0.000 -10.046) 10.046 12.968 ( 0.000 0.000 10.046) 10.046 14.354 ( 0.000 0.000 -11.009) 11.009 14.354 ( 0.000 0.000 11.009) 11.009 14.916 ( 0.000 0.000 -5.008) 5.008 14.916 ( 0.000 0.000 5.008) 5.008 15.555 ( 0.000 0.000 -1.657) 1.657 15.555 ( 0.000 0.000 1.657) 1.657 15.763 ( 0.000 0.000 -0.180) 0.180 15.763 ( 0.000 0.000 0.180) 0.180 16.178 ( 0.000 0.000 -11.551) 11.551 16.178 ( 0.000 0.000 11.551) 11.551 23.823 ( 0.000 0.000 -4.532) 4.532 23.823 ( 0.000 0.000 4.532) 4.532 23.923 ( 0.000 0.000 -1.248) 1.248 23.923 ( 0.000 0.000 1.248) 1.248 24.368 ( 0.000 0.000 -8.128) 8.128 24.368 ( 0.000 0.000 8.128) 8.128 24.461 ( 0.000 0.000 -3.416) 3.416 24.461 ( 0.000 0.000 3.416) 3.416 26.623 ( 0.000 0.000 -5.106) 5.106 26.623 ( 0.000 0.000 5.106) 5.106 26.780 ( 0.000 0.000 -0.654) 0.654 26.780 ( 0.000 0.000 0.654) 0.654 26.822 ( 0.000 0.000 -1.046) 1.046 26.822 ( 0.000 0.000 1.046) 1.046 27.539 ( 0.000 0.000 -5.558) 5.558 27.539 ( 0.000 0.000 5.558) 5.558 ======================= Grid point 128 (42/60) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 7.458 0.000 -17.080) 18.637 1.268 ( 7.458 0.000 17.080) 18.637 1.305 ( 3.509 0.000 -15.040) 15.443 1.305 ( 3.509 0.000 15.040) 15.443 1.827 ( 12.191 0.000 -6.789) 13.954 1.827 ( 12.191 0.000 6.789) 13.954 2.004 ( 1.219 0.000 -8.989) 9.071 2.004 ( 1.219 0.000 8.989) 9.071 2.404 ( 13.195 0.000 -28.958) 31.822 2.404 ( 13.195 0.000 28.958) 31.822 2.825 ( -4.980 0.000 -2.884) 5.755 2.825 ( -4.980 0.000 2.884) 5.755 2.957 ( 0.170 0.000 -2.097) 2.104 2.957 ( 0.170 0.000 2.097) 2.104 3.104 ( 1.980 0.000 -4.137) 4.586 3.104 ( 1.980 0.000 4.137) 4.586 3.211 ( 3.333 0.000 -6.511) 7.314 3.211 ( 3.333 0.000 6.511) 7.314 3.326 ( 7.577 0.000 -0.076) 7.578 3.326 ( 7.577 0.000 0.076) 7.578 3.500 ( 0.972 0.000 -11.183) 11.226 3.500 ( 0.972 0.000 11.183) 11.226 3.717 ( 4.268 0.000 -0.450) 4.291 3.717 ( 4.268 0.000 0.450) 4.291 3.851 ( -5.717 0.000 -0.586) 5.747 3.851 ( -5.717 0.000 0.586) 5.747 4.009 ( 0.130 0.000 -8.508) 8.509 4.009 ( 0.130 0.000 8.508) 8.509 4.227 ( -0.655 0.000 -0.202) 0.686 4.227 ( -0.655 0.000 0.202) 0.686 4.294 ( 7.073 0.000 -5.880) 9.198 4.294 ( 7.073 0.000 5.880) 9.198 4.511 ( 8.356 0.000 -9.383) 12.564 4.511 ( 8.356 0.000 9.383) 12.564 5.006 ( 0.853 0.000 -6.933) 6.986 5.006 ( 0.853 0.000 6.933) 6.986 6.199 ( -3.234 0.000 -5.691) 6.546 6.199 ( -3.234 0.000 5.691) 6.546 6.533 ( -0.433 0.000 -5.718) 5.734 6.533 ( -0.433 0.000 5.718) 5.734 6.824 ( 0.333 0.000 -5.478) 5.489 6.824 ( 0.333 0.000 5.478) 5.489 7.065 ( 1.397 0.000 -3.047) 3.352 7.065 ( 1.397 0.000 3.047) 3.352 7.569 ( -3.318 0.000 -0.215) 3.325 7.569 ( -3.318 0.000 0.215) 3.325 7.769 ( -2.350 0.000 -1.466) 2.770 7.769 ( -2.350 0.000 1.466) 2.770 8.052 ( -0.447 0.000 -3.798) 3.824 8.052 ( -0.447 0.000 3.798) 3.824 8.193 ( 6.667 0.000 -0.914) 6.730 8.193 ( 6.667 0.000 0.914) 6.730 8.617 ( 4.956 0.000 -7.177) 8.722 8.617 ( 4.956 0.000 7.177) 8.722 8.847 ( -2.369 0.000 -0.629) 2.451 8.847 ( -2.369 0.000 0.629) 2.451 9.467 ( 1.334 0.000 -8.570) 8.673 9.467 ( 1.334 0.000 8.570) 8.673 10.228 ( -1.841 0.000 -0.430) 1.890 10.228 ( -1.841 0.000 0.430) 1.890 10.519 ( -2.971 0.000 -0.486) 3.010 10.519 ( -2.971 0.000 0.486) 3.010 10.575 ( -3.720 0.000 -4.608) 5.922 10.575 ( -3.720 0.000 4.608) 5.922 12.213 ( -12.243 0.000 -3.653) 12.776 12.213 ( -12.243 0.000 3.653) 12.776 12.764 ( 5.741 0.000 -4.663) 7.396 12.764 ( 5.741 0.000 4.663) 7.396 12.866 ( -8.473 0.000 -8.915) 12.299 12.866 ( -8.473 0.000 8.915) 12.299 14.277 ( -7.195 0.000 -11.952) 13.950 14.277 ( -7.195 0.000 11.952) 13.950 15.011 ( 7.838 0.000 -5.106) 9.355 15.011 ( 7.838 0.000 5.106) 9.355 15.488 ( -5.865 0.000 -1.944) 6.179 15.488 ( -5.865 0.000 1.944) 6.179 15.876 ( 10.429 0.000 -0.113) 10.429 15.876 ( 10.429 0.000 0.113) 10.429 16.188 ( 0.582 0.000 -11.013) 11.029 16.188 ( 0.582 0.000 11.013) 11.029 23.821 ( -0.276 0.000 -4.419) 4.428 23.821 ( -0.276 0.000 4.419) 4.428 23.918 ( -0.283 0.000 -0.619) 0.681 23.918 ( -0.283 0.000 0.619) 0.681 24.336 ( -3.527 0.000 -6.431) 7.335 24.336 ( -3.527 0.000 6.431) 7.335 24.422 ( -2.552 0.000 -8.122) 8.513 24.422 ( -2.552 0.000 8.122) 8.513 26.501 ( -6.153 0.000 -3.078) 6.880 26.501 ( -6.153 0.000 3.078) 6.880 26.778 ( -1.249 0.000 -1.661) 2.079 26.778 ( -1.249 0.000 1.661) 2.079 26.987 ( 9.273 0.000 -2.660) 9.646 26.987 ( 9.273 0.000 2.660) 9.646 27.520 ( -0.458 0.000 -1.298) 1.376 27.520 ( -0.458 0.000 1.298) 1.376 ======================= Grid point 130 (43/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 2.239 0.000 -4.478) 5.007 1.355 ( 2.239 0.000 4.478) 5.007 1.482 ( 12.404 0.000 -10.100) 15.996 1.482 ( 12.404 0.000 10.100) 15.996 2.012 ( 5.415 0.000 -13.081) 14.157 2.012 ( 5.415 0.000 13.081) 14.157 2.091 ( 7.984 0.000 -7.101) 10.685 2.091 ( 7.984 0.000 7.101) 10.685 2.668 ( -0.597 0.000 -1.762) 1.860 2.668 ( -0.597 0.000 1.762) 1.860 2.781 ( 9.671 0.000 -8.448) 12.841 2.781 ( 9.671 0.000 8.448) 12.841 2.958 ( 0.809 0.000 -1.430) 1.643 2.958 ( 0.809 0.000 1.430) 1.643 3.094 ( -2.550 0.000 -1.984) 3.230 3.094 ( -2.550 0.000 1.984) 3.230 3.329 ( 7.220 0.000 -1.838) 7.450 3.329 ( 7.220 0.000 1.838) 7.450 3.399 ( -1.647 0.000 -1.819) 2.454 3.399 ( -1.647 0.000 1.819) 2.454 3.621 ( 8.562 0.000 -11.897) 14.658 3.621 ( 8.562 0.000 11.897) 14.658 3.710 ( 2.047 0.000 -4.503) 4.946 3.710 ( 2.047 0.000 4.503) 4.946 3.854 ( 4.249 0.000 -0.206) 4.254 3.854 ( 4.249 0.000 0.206) 4.254 4.002 ( -0.962 0.000 -0.319) 1.014 4.002 ( -0.962 0.000 0.319) 1.014 4.288 ( 3.377 0.000 -4.943) 5.986 4.288 ( 3.377 0.000 4.943) 5.986 4.466 ( 9.923 0.000 -0.880) 9.962 4.466 ( 9.923 0.000 0.880) 9.962 4.732 ( 14.356 0.000 -11.092) 18.142 4.732 ( 14.356 0.000 11.092) 18.142 5.040 ( 3.188 0.000 -7.792) 8.419 5.040 ( 3.188 0.000 7.792) 8.419 6.137 ( -2.495 0.000 -6.222) 6.704 6.137 ( -2.495 0.000 6.222) 6.704 6.520 ( -0.887 0.000 -6.421) 6.482 6.520 ( -0.887 0.000 6.421) 6.482 6.825 ( -0.366 0.000 -4.904) 4.917 6.825 ( -0.366 0.000 4.904) 4.917 7.101 ( 2.175 0.000 -1.707) 2.765 7.101 ( 2.175 0.000 1.707) 2.765 7.483 ( -4.262 0.000 -1.329) 4.464 7.483 ( -4.262 0.000 1.329) 4.464 7.747 ( -0.328 0.000 -0.993) 1.046 7.747 ( -0.328 0.000 0.993) 1.046 8.043 ( -0.529 0.000 -5.935) 5.959 8.043 ( -0.529 0.000 5.935) 5.959 8.306 ( 3.090 0.000 -5.213) 6.060 8.306 ( 3.090 0.000 5.213) 6.060 8.661 ( -0.679 0.000 -4.142) 4.197 8.661 ( -0.679 0.000 4.142) 4.197 8.770 ( -5.034 0.000 -1.851) 5.363 8.770 ( -5.034 0.000 1.851) 5.363 9.511 ( 2.953 0.000 -7.954) 8.484 9.511 ( 2.953 0.000 7.954) 8.484 10.191 ( -1.607 0.000 -0.673) 1.742 10.191 ( -1.607 0.000 0.673) 1.742 10.343 ( -11.481 0.000 -5.783) 12.855 10.343 ( -11.481 0.000 5.783) 12.855 10.568 ( 0.509 0.000 -1.682) 1.758 10.568 ( 0.509 0.000 1.682) 1.758 12.014 ( -7.128 0.000 -4.448) 8.402 12.014 ( -7.128 0.000 4.448) 8.402 12.688 ( -7.817 0.000 -6.438) 10.127 12.688 ( -7.817 0.000 6.438) 10.127 12.838 ( 1.107 0.000 -6.278) 6.375 12.838 ( 1.107 0.000 6.278) 6.375 14.117 ( -7.694 0.000 -12.625) 14.784 14.117 ( -7.694 0.000 12.625) 14.784 15.109 ( -0.456 0.000 -1.829) 1.885 15.109 ( -0.456 0.000 1.829) 1.885 15.417 ( 1.068 0.000 -9.697) 9.755 15.417 ( 1.068 0.000 9.697) 9.755 16.104 ( 10.940 0.000 -0.164) 10.941 16.104 ( 10.940 0.000 0.164) 10.941 16.190 ( -0.211 0.000 -10.580) 10.582 16.190 ( -0.211 0.000 10.580) 10.582 23.811 ( -0.650 0.000 -3.986) 4.039 23.811 ( -0.650 0.000 3.986) 4.039 23.922 ( 0.715 0.000 -0.105) 0.723 23.922 ( 0.715 0.000 0.105) 0.723 24.246 ( -4.649 0.000 -8.008) 9.259 24.246 ( -4.649 0.000 8.008) 9.259 24.385 ( -1.411 0.000 -8.398) 8.516 24.385 ( -1.411 0.000 8.398) 8.516 26.416 ( -2.693 0.000 -3.958) 4.787 26.416 ( -2.693 0.000 3.958) 4.787 26.741 ( -2.267 0.000 -1.581) 2.764 26.741 ( -2.267 0.000 1.581) 2.764 27.066 ( -0.704 0.000 -5.099) 5.147 27.066 ( -0.704 0.000 5.099) 5.147 27.573 ( 5.307 0.000 -15.645) 16.520 27.573 ( 5.307 0.000 15.645) 16.520 ======================= Grid point 132 (44/60) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.821 0.000 -0.756) 1.116 1.385 ( 0.821 0.000 0.756) 1.116 1.735 ( 11.873 0.000 -3.149) 12.283 1.735 ( 11.873 0.000 3.149) 12.283 2.100 ( 3.525 0.000 -8.638) 9.330 2.100 ( 3.525 0.000 8.638) 9.330 2.267 ( 9.106 0.000 -10.729) 14.073 2.267 ( 9.106 0.000 10.729) 14.073 2.545 ( -7.330 0.000 -5.235) 9.008 2.545 ( -7.330 0.000 5.235) 9.008 2.819 ( -6.041 0.000 -4.517) 7.543 2.819 ( -6.041 0.000 4.517) 7.543 3.058 ( 0.430 0.000 -6.259) 6.274 3.058 ( 0.430 0.000 6.259) 6.274 3.092 ( 7.946 0.000 -1.084) 8.020 3.092 ( 7.946 0.000 1.084) 8.020 3.322 ( -4.560 0.000 -1.907) 4.943 3.322 ( -4.560 0.000 1.907) 4.943 3.457 ( 5.366 0.000 -7.652) 9.346 3.457 ( 5.366 0.000 7.652) 9.346 3.626 ( -3.205 0.000 -9.063) 9.613 3.626 ( -3.205 0.000 9.063) 9.613 3.852 ( 4.243 0.000 -2.982) 5.187 3.852 ( 4.243 0.000 2.982) 5.187 3.949 ( 3.240 0.000 -3.466) 4.745 3.949 ( 3.240 0.000 3.466) 4.745 4.136 ( 14.493 0.000 -3.824) 14.989 4.136 ( 14.493 0.000 3.824) 14.989 4.314 ( 0.258 0.000 -4.132) 4.140 4.314 ( 0.258 0.000 4.132) 4.140 4.602 ( 2.803 0.000 -4.913) 5.656 4.602 ( 2.803 0.000 4.913) 5.656 5.004 ( 10.993 0.000 -4.186) 11.763 5.004 ( 10.993 0.000 4.186) 11.763 5.153 ( 6.686 0.000 -4.501) 8.060 5.153 ( 6.686 0.000 4.501) 8.060 6.108 ( -0.535 0.000 -6.092) 6.116 6.108 ( -0.535 0.000 6.092) 6.116 6.502 ( -0.728 0.000 -7.155) 7.192 6.502 ( -0.728 0.000 7.155) 7.192 6.812 ( -0.723 0.000 -4.334) 4.394 6.812 ( -0.723 0.000 4.334) 4.394 7.154 ( 2.955 0.000 -0.701) 3.037 7.154 ( 2.955 0.000 0.701) 3.037 7.446 ( 1.847 0.000 -0.335) 1.877 7.446 ( 1.847 0.000 0.335) 1.877 7.732 ( -2.023 0.000 -0.250) 2.039 7.732 ( -2.023 0.000 0.250) 2.039 8.010 ( -3.613 0.000 -5.843) 6.870 8.010 ( -3.613 0.000 5.843) 6.870 8.267 ( -5.737 0.000 -13.825) 14.968 8.267 ( -5.737 0.000 13.825) 14.968 8.616 ( -2.715 0.000 -1.697) 3.202 8.616 ( -2.715 0.000 1.697) 3.202 8.712 ( -0.069 0.000 -4.664) 4.665 8.712 ( -0.069 0.000 4.664) 4.665 9.572 ( 2.736 0.000 -8.346) 8.783 9.572 ( 2.736 0.000 8.346) 8.783 10.119 ( -8.133 0.000 -6.404) 10.352 10.119 ( -8.133 0.000 6.404) 10.352 10.179 ( -1.288 0.000 -1.878) 2.278 10.179 ( -1.288 0.000 1.878) 2.278 10.572 ( -0.089 0.000 -1.387) 1.390 10.572 ( -0.089 0.000 1.387) 1.390 11.925 ( -2.311 0.000 -3.491) 4.187 11.925 ( -2.311 0.000 3.491) 4.187 12.574 ( -3.412 0.000 -8.519) 9.177 12.574 ( -3.412 0.000 8.519) 9.177 12.824 ( -1.905 0.000 -11.459) 11.616 12.824 ( -1.905 0.000 11.459) 11.616 13.998 ( -3.992 0.000 -13.233) 13.822 13.998 ( -3.992 0.000 13.233) 13.822 15.041 ( -3.954 0.000 -3.932) 5.576 15.041 ( -3.954 0.000 3.932) 5.576 15.487 ( 3.730 0.000 -12.889) 13.418 15.487 ( 3.730 0.000 12.889) 13.418 16.175 ( -0.571 0.000 -10.961) 10.976 16.175 ( -0.571 0.000 10.961) 10.976 16.285 ( 6.272 0.000 -0.450) 6.288 16.285 ( 6.272 0.000 0.450) 6.288 23.799 ( -0.470 0.000 -3.805) 3.834 23.799 ( -0.470 0.000 3.805) 3.834 23.940 ( 0.945 0.000 -0.545) 1.091 23.940 ( 0.945 0.000 0.545) 1.091 24.170 ( -2.782 0.000 -9.404) 9.807 24.170 ( -2.782 0.000 9.404) 9.807 24.362 ( -0.850 0.000 -6.109) 6.168 24.362 ( -0.850 0.000 6.109) 6.168 26.381 ( -1.078 0.000 -4.721) 4.843 26.381 ( -1.078 0.000 4.721) 4.843 26.697 ( -1.886 0.000 -1.470) 2.391 26.697 ( -1.886 0.000 1.470) 2.391 27.028 ( -1.999 0.000 -6.021) 6.344 27.028 ( -1.999 0.000 6.021) 6.344 27.676 ( 4.011 0.000 -20.007) 20.405 27.676 ( 4.011 0.000 20.007) 20.405 ======================= Grid point 134 (45/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.000 0.000 -0.127) 0.127 1.392 ( 0.000 0.000 0.127) 0.127 1.876 ( -0.000 0.000 -1.241) 1.241 1.876 ( -0.000 0.000 1.241) 1.241 2.137 ( 0.000 0.000 -7.131) 7.131 2.137 ( 0.000 0.000 7.131) 7.131 2.392 ( 0.000 0.000 -9.163) 9.163 2.392 ( -0.000 0.000 9.163) 9.163 2.448 ( 0.000 0.000 -7.406) 7.406 2.448 ( 0.000 0.000 7.406) 7.406 2.722 ( 0.000 0.000 -9.324) 9.324 2.722 ( 0.000 0.000 9.324) 9.324 3.062 ( 0.000 0.000 -8.298) 8.298 3.062 ( 0.000 0.000 8.298) 8.298 3.195 ( -0.000 0.000 -2.606) 2.606 3.195 ( 0.000 0.000 2.606) 2.606 3.255 ( 0.000 0.000 -3.857) 3.857 3.255 ( 0.000 0.000 3.857) 3.857 3.548 ( 0.000 0.000 -7.443) 7.443 3.548 ( -0.000 0.000 7.443) 7.443 3.553 ( 0.000 0.000 -8.594) 8.594 3.553 ( 0.000 0.000 8.594) 8.594 3.869 ( 0.000 0.000 -0.551) 0.551 3.869 ( 0.000 0.000 0.551) 0.551 4.012 ( 0.000 0.000 -4.869) 4.869 4.012 ( 0.000 0.000 4.869) 4.869 4.262 ( 0.000 0.000 -1.107) 1.107 4.262 ( -0.000 0.000 1.107) 1.107 4.372 ( 0.000 0.000 -6.245) 6.245 4.372 ( 0.000 0.000 6.245) 6.245 4.604 ( 0.000 0.000 -6.767) 6.767 4.604 ( -0.000 0.000 6.767) 6.767 5.159 ( -0.000 0.000 -11.359) 11.359 5.159 ( 0.000 0.000 11.359) 11.359 5.193 ( 0.000 0.000 -9.563) 9.563 5.193 ( 0.000 0.000 9.563) 9.563 6.105 ( 0.000 0.000 -5.993) 5.993 6.105 ( 0.000 0.000 5.993) 5.993 6.495 ( 0.000 0.000 -7.469) 7.469 6.495 ( 0.000 0.000 7.469) 7.469 6.804 ( 0.000 0.000 -4.070) 4.070 6.804 ( 0.000 0.000 4.070) 4.070 7.187 ( 0.000 0.000 -0.071) 0.071 7.187 ( -0.000 0.000 0.071) 0.071 7.545 ( 0.000 0.000 -0.898) 0.898 7.545 ( -0.000 0.000 0.898) 0.898 7.650 ( 0.000 0.000 -4.220) 4.220 7.650 ( -0.000 0.000 4.220) 4.220 7.940 ( 0.000 0.000 -3.057) 3.057 7.940 ( 0.000 0.000 3.057) 3.057 8.202 ( 0.000 0.000 -10.199) 10.199 8.202 ( 0.000 0.000 10.199) 10.199 8.587 ( 0.000 0.000 -0.540) 0.540 8.587 ( 0.000 0.000 0.540) 0.540 8.721 ( 0.000 0.000 -8.713) 8.713 8.721 ( 0.000 0.000 8.713) 8.713 9.601 ( 0.000 0.000 -8.738) 8.738 9.601 ( 0.000 0.000 8.738) 8.738 10.029 ( 0.000 0.000 -6.874) 6.874 10.029 ( 0.000 0.000 6.874) 6.874 10.170 ( 0.000 0.000 -2.315) 2.315 10.170 ( 0.000 0.000 2.315) 2.315 10.570 ( 0.000 0.000 -0.915) 0.915 10.570 ( 0.000 0.000 0.915) 0.915 11.904 ( 0.000 0.000 -2.988) 2.988 11.904 ( 0.000 0.000 2.988) 2.988 12.544 ( 0.000 0.000 -10.151) 10.151 12.544 ( 0.000 0.000 10.151) 10.151 12.797 ( 0.000 0.000 -14.333) 14.333 12.797 ( 0.000 0.000 14.333) 14.333 13.959 ( 0.000 0.000 -13.539) 13.539 13.959 ( 0.000 0.000 13.539) 13.539 14.998 ( 0.000 0.000 -3.242) 3.242 14.998 ( 0.000 0.000 3.242) 3.242 15.527 ( 0.000 0.000 -12.758) 12.758 15.527 ( 0.000 0.000 12.758) 12.758 16.168 ( 0.000 0.000 -11.039) 11.039 16.168 ( 0.000 0.000 11.039) 11.039 16.349 ( 0.000 0.000 -0.466) 0.466 16.349 ( 0.000 0.000 0.466) 0.466 23.795 ( 0.000 0.000 -3.840) 3.840 23.795 ( 0.000 0.000 3.840) 3.840 23.951 ( 0.000 0.000 -0.735) 0.735 23.951 ( 0.000 0.000 0.735) 0.735 24.142 ( 0.000 0.000 -9.815) 9.815 24.142 ( 0.000 0.000 9.815) 9.815 24.353 ( 0.000 0.000 -5.032) 5.032 24.353 ( 0.000 0.000 5.032) 5.032 26.370 ( 0.000 0.000 -4.923) 4.923 26.370 ( 0.000 0.000 4.923) 4.923 26.677 ( 0.000 0.000 -1.384) 1.384 26.677 ( 0.000 0.000 1.384) 1.384 27.007 ( 0.000 0.000 -5.489) 5.489 27.007 ( 0.000 0.000 5.489) 5.489 27.717 ( 0.000 0.000 -20.538) 20.538 27.717 ( 0.000 0.000 20.538) 20.538 ======================= Grid point 144 (46/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.000 14.523 -18.186) 23.273 1.360 ( 0.000 14.523 18.186) 23.273 1.368 ( 0.000 10.277 -23.636) 25.773 1.368 ( 0.000 10.277 23.636) 25.773 1.758 ( 0.000 7.574 -9.330) 12.017 1.758 ( 0.000 7.574 9.330) 12.017 1.978 ( 0.000 -1.875 -8.190) 8.402 1.978 ( 0.000 -1.875 8.190) 8.402 2.365 ( 0.000 7.940 -22.186) 23.565 2.365 ( 0.000 7.940 22.186) 23.565 2.893 ( 0.000 -4.304 -3.220) 5.375 2.893 ( 0.000 -4.304 3.220) 5.375 2.901 ( 0.000 -0.224 -4.115) 4.121 2.901 ( 0.000 -0.224 4.115) 4.121 3.062 ( 0.000 -1.746 -4.385) 4.720 3.062 ( 0.000 -1.746 4.385) 4.720 3.176 ( 0.000 -3.689 -2.304) 4.349 3.176 ( 0.000 -3.689 2.304) 4.349 3.194 ( 0.000 0.983 -7.255) 7.321 3.194 ( 0.000 0.983 7.255) 7.321 3.510 ( 0.000 -0.080 -10.090) 10.091 3.510 ( 0.000 -0.080 10.090) 10.091 3.598 ( 0.000 -1.894 -5.871) 6.169 3.598 ( 0.000 -1.894 5.871) 6.169 3.873 ( 0.000 -6.538 -5.570) 8.589 3.873 ( 0.000 -6.538 5.570) 8.589 4.056 ( 0.000 2.397 -13.025) 13.244 4.056 ( 0.000 2.397 13.025) 13.244 4.123 ( 0.000 -4.422 -2.335) 5.001 4.123 ( 0.000 -4.422 2.335) 5.001 4.328 ( 0.000 3.441 -1.372) 3.704 4.328 ( 0.000 3.441 1.372) 3.704 4.419 ( 0.000 1.702 -10.484) 10.621 4.419 ( 0.000 1.702 10.484) 10.621 4.960 ( 0.000 -3.845 -5.906) 7.048 4.960 ( 0.000 -3.845 5.906) 7.048 6.421 ( 0.000 14.678 -10.025) 17.775 6.421 ( 0.000 14.678 10.025) 17.775 6.551 ( 0.000 1.551 -5.607) 5.818 6.551 ( 0.000 1.551 5.607) 5.818 6.855 ( 0.000 3.267 -5.828) 6.681 6.855 ( 0.000 3.267 5.828) 6.681 7.065 ( 0.000 1.463 -3.370) 3.674 7.065 ( 0.000 1.463 3.370) 3.674 7.530 ( 0.000 -5.515 -2.276) 5.966 7.530 ( 0.000 -5.515 2.276) 5.966 7.821 ( 0.000 0.641 -0.207) 0.674 7.821 ( 0.000 0.641 0.207) 0.674 8.012 ( 0.000 -4.055 -5.303) 6.675 8.012 ( 0.000 -4.055 5.303) 6.675 8.213 ( 0.000 8.663 -3.498) 9.342 8.213 ( 0.000 8.663 3.498) 9.342 8.357 ( 0.000 -16.657 -7.434) 18.240 8.357 ( 0.000 -16.657 7.434) 18.240 8.827 ( 0.000 -2.783 -0.510) 2.829 8.827 ( 0.000 -2.783 0.510) 2.829 9.465 ( 0.000 0.993 -9.427) 9.479 9.465 ( 0.000 0.993 9.427) 9.479 10.267 ( 0.000 -1.204 -1.419) 1.861 10.267 ( 0.000 -1.204 1.419) 1.861 10.457 ( 0.000 -4.665 -2.515) 5.300 10.457 ( 0.000 -4.665 2.515) 5.300 10.613 ( 0.000 -2.295 -7.252) 7.607 10.613 ( 0.000 -2.295 7.252) 7.607 12.335 ( 0.000 -3.047 -11.978) 12.359 12.335 ( 0.000 -3.047 11.978) 12.359 12.646 ( 0.000 -1.320 -3.776) 4.000 12.646 ( 0.000 -1.320 3.776) 4.000 13.141 ( 0.000 14.145 -9.309) 16.933 13.141 ( 0.000 14.145 9.309) 16.933 14.301 ( 0.000 -5.119 -11.109) 12.232 14.301 ( 0.000 -5.119 11.109) 12.232 14.936 ( 0.000 1.905 -5.029) 5.377 14.936 ( 0.000 1.905 5.029) 5.377 15.427 ( 0.000 -10.338 -5.222) 11.582 15.427 ( 0.000 -10.338 5.222) 11.582 15.788 ( 0.000 2.227 -0.831) 2.377 15.788 ( 0.000 2.227 0.831) 2.377 16.162 ( 0.000 -1.569 -11.387) 11.495 16.162 ( 0.000 -1.569 11.387) 11.495 23.822 ( 0.000 -0.087 -4.266) 4.267 23.822 ( 0.000 -0.087 4.266) 4.267 23.912 ( 0.000 -0.948 -0.845) 1.270 23.912 ( 0.000 -0.948 0.845) 1.270 24.376 ( 0.000 0.760 -8.619) 8.653 24.376 ( 0.000 0.760 8.619) 8.653 24.492 ( 0.000 2.211 -13.549) 13.728 24.492 ( 0.000 2.211 13.549) 13.728 26.608 ( 0.000 -1.544 -4.829) 5.070 26.608 ( 0.000 -1.544 4.829) 5.070 26.651 ( 0.000 -6.299 -1.764) 6.541 26.651 ( 0.000 -6.299 1.764) 6.541 26.975 ( 0.000 8.584 -2.974) 9.085 26.975 ( 0.000 8.584 2.974) 9.085 27.468 ( 0.000 -5.599 -12.535) 13.729 27.468 ( 0.000 -5.599 12.535) 13.729 ======================= Grid point 146 (47/60) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 1.029 9.537 -13.898) 16.887 1.344 ( 1.029 9.537 13.898) 16.887 1.471 ( 7.431 12.014 -17.187) 22.247 1.471 ( 7.431 12.014 17.187) 22.247 1.924 ( 12.955 8.419 -7.624) 17.229 1.924 ( 12.955 8.419 7.624) 17.229 1.996 ( 1.676 -0.457 -7.813) 8.003 1.996 ( 1.676 -0.457 7.813) 8.003 2.433 ( 7.445 2.934 -19.763) 21.322 2.433 ( 7.445 2.934 19.763) 21.322 2.830 ( -4.050 -1.839 -3.804) 5.853 2.830 ( -4.050 -1.839 3.804) 5.853 2.939 ( 2.835 -0.068 -5.052) 5.794 2.939 ( 2.835 -0.068 5.052) 5.794 3.087 ( 1.745 -1.832 -2.871) 3.827 3.087 ( 1.745 -1.832 2.871) 3.827 3.214 ( 4.046 0.041 -4.398) 5.976 3.214 ( 4.046 0.041 4.398) 5.976 3.296 ( 7.645 -1.603 -3.992) 8.772 3.296 ( 7.645 -1.603 3.992) 8.772 3.501 ( 0.802 -0.116 -9.555) 9.590 3.501 ( 0.802 -0.116 9.555) 9.590 3.676 ( 2.723 -3.938 -1.711) 5.084 3.676 ( 2.723 -3.938 1.711) 5.084 3.826 ( -0.813 -1.394 -2.346) 2.848 3.826 ( -0.813 -1.394 2.346) 2.848 4.029 ( -0.197 1.296 -9.962) 10.048 4.029 ( -0.197 1.296 9.962) 10.048 4.153 ( 1.404 -3.862 -2.347) 4.732 4.153 ( 1.404 -3.862 2.347) 4.732 4.340 ( 3.881 2.652 -4.696) 6.644 4.340 ( 3.881 2.652 4.696) 6.644 4.534 ( 9.015 1.759 -8.772) 12.701 4.534 ( 9.015 1.759 8.772) 12.701 4.972 ( 1.206 -3.502 -6.073) 7.113 4.972 ( 1.206 -3.502 6.073) 7.113 6.337 ( -6.708 11.438 -8.874) 15.955 6.337 ( -6.708 11.438 8.874) 15.955 6.544 ( -0.807 1.129 -5.824) 5.987 6.544 ( -0.807 1.129 5.824) 5.987 6.872 ( 1.134 4.455 -5.500) 7.168 6.872 ( 1.134 4.455 5.500) 7.168 7.078 ( 1.318 1.279 -2.901) 3.434 7.078 ( 1.318 1.279 2.901) 3.434 7.518 ( -1.707 -4.536 -1.065) 4.962 7.518 ( -1.707 -4.536 1.065) 4.962 7.741 ( -5.047 -2.238 -1.315) 5.676 7.741 ( -5.047 -2.238 1.315) 5.676 8.053 ( 1.917 -1.929 -5.293) 5.951 8.053 ( 1.917 -1.929 5.293) 5.951 8.242 ( 3.363 5.206 -2.210) 6.580 8.242 ( 3.363 5.206 2.210) 6.580 8.454 ( 6.365 -14.427 -8.524) 17.925 8.454 ( 6.365 -14.427 8.524) 17.925 8.814 ( -1.232 -1.480 -1.066) 2.201 8.814 ( -1.232 -1.480 1.066) 2.201 9.486 ( 2.090 1.394 -9.203) 9.540 9.486 ( 2.090 1.394 9.203) 9.540 10.240 ( -2.579 -0.948 -1.225) 3.009 10.240 ( -2.579 -0.948 1.225) 3.009 10.446 ( -1.755 -5.979 -1.873) 6.507 10.446 ( -1.755 -5.979 1.873) 6.507 10.549 ( -5.385 -2.163 -5.710) 8.141 10.549 ( -5.385 -2.163 5.710) 8.141 12.198 ( -10.181 0.010 -8.423) 13.213 12.198 ( -10.181 0.010 8.423) 13.213 12.708 ( 3.138 -3.570 -5.060) 6.942 12.708 ( 3.138 -3.570 5.060) 6.942 13.047 ( -7.464 13.959 -10.329) 18.902 13.047 ( -7.464 13.959 10.329) 18.902 14.227 ( -6.989 -4.887 -11.892) 14.633 14.227 ( -6.989 -4.887 11.892) 14.633 15.029 ( 7.714 1.684 -4.949) 9.319 15.029 ( 7.714 1.684 4.949) 9.319 15.414 ( -2.005 -6.457 -3.575) 7.648 15.414 ( -2.005 -6.457 3.575) 7.648 15.874 ( 8.673 0.244 -0.743) 8.708 15.874 ( 8.673 0.244 0.743) 8.708 16.169 ( 0.448 -1.783 -11.046) 11.198 16.169 ( 0.448 -1.783 11.046) 11.198 23.820 ( -0.199 -0.028 -4.180) 4.185 23.820 ( -0.199 -0.028 4.180) 4.185 23.911 ( -0.023 -0.697 -0.613) 0.928 23.911 ( -0.023 -0.697 0.613) 0.928 24.356 ( -2.321 1.551 -6.944) 7.484 24.356 ( -2.321 1.551 6.944) 7.484 24.442 ( -3.781 1.713 -11.081) 11.833 24.442 ( -3.781 1.713 11.081) 11.833 26.492 ( -5.451 -0.795 -3.086) 6.314 26.492 ( -5.451 -0.795 3.086) 6.314 26.714 ( 0.857 -5.150 -3.075) 6.059 26.714 ( 0.857 -5.150 3.075) 6.059 27.052 ( 5.301 5.248 -2.621) 7.906 27.052 ( 5.301 5.248 2.621) 7.906 27.468 ( 1.025 -4.188 -9.644) 10.564 27.468 ( 1.025 -4.188 9.644) 10.564 ======================= Grid point 148 (48/60) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 2.519 5.893 -5.408) 8.386 1.384 ( 2.519 5.893 5.408) 8.386 1.657 ( 10.873 12.206 -11.270) 19.855 1.657 ( 10.873 12.206 11.270) 19.855 2.034 ( 2.339 0.276 -8.123) 8.458 2.034 ( 2.339 0.276 8.123) 8.458 2.146 ( 8.925 7.497 -11.006) 16.031 2.146 ( 8.925 7.497 11.006) 16.031 2.570 ( 0.373 -4.535 -5.766) 7.345 2.570 ( 0.373 -4.535 5.766) 7.345 2.820 ( 6.053 -3.036 -6.449) 9.351 2.820 ( 6.053 -3.036 6.449) 9.351 2.983 ( -0.939 3.029 -4.523) 5.524 2.983 ( -0.939 3.029 4.523) 5.524 3.118 ( 3.019 2.183 -5.097) 6.313 3.118 ( 3.019 2.183 5.097) 6.313 3.313 ( 5.003 -1.165 -1.289) 5.296 3.313 ( 5.003 -1.165 1.289) 5.296 3.373 ( -1.101 -1.726 -3.631) 4.168 3.373 ( -1.101 -1.726 3.631) 4.168 3.607 ( 4.371 -2.267 -8.198) 9.563 3.607 ( 4.371 -2.267 8.198) 9.563 3.679 ( 5.537 -1.277 -1.317) 5.833 3.679 ( 5.537 -1.277 1.317) 5.833 3.872 ( 4.813 1.537 -3.398) 6.089 3.872 ( 4.813 1.537 3.398) 6.089 4.042 ( 0.740 3.278 -3.271) 4.690 4.042 ( 0.740 3.278 3.271) 4.690 4.236 ( 5.544 -3.567 -3.120) 7.293 4.236 ( 5.544 -3.567 3.120) 7.293 4.472 ( 8.300 0.504 -2.579) 8.706 4.472 ( 8.300 0.504 2.579) 8.706 4.769 ( 14.512 2.517 -9.502) 17.528 4.769 ( 14.512 2.517 9.502) 17.528 5.017 ( 4.092 -2.388 -7.114) 8.547 5.017 ( 4.092 -2.388 7.114) 8.547 6.212 ( -5.149 6.677 -7.511) 11.292 6.212 ( -5.149 6.677 7.511) 11.292 6.520 ( -1.462 0.036 -6.287) 6.455 6.520 ( -1.462 0.036 6.287) 6.455 6.884 ( 0.046 5.609 -4.953) 7.483 6.884 ( 0.046 5.609 4.953) 7.483 7.115 ( 2.311 1.397 -1.710) 3.197 7.115 ( 2.311 1.397 1.710) 3.197 7.458 ( -3.594 -2.432 -1.051) 4.465 7.458 ( -3.594 -2.432 1.051) 4.465 7.675 ( -1.660 -5.938 -1.910) 6.455 7.675 ( -1.660 -5.938 1.910) 6.455 8.059 ( -1.757 -0.730 -6.818) 7.079 8.059 ( -1.757 -0.730 6.818) 7.079 8.316 ( 3.005 1.937 -3.651) 5.110 8.316 ( 3.005 1.937 3.651) 5.110 8.510 ( -1.329 -12.465 -8.298) 15.033 8.510 ( -1.329 -12.465 8.298) 15.033 8.791 ( -0.499 2.328 -3.405) 4.155 8.791 ( -0.499 2.328 3.405) 4.155 9.543 ( 3.354 2.110 -9.051) 9.880 9.543 ( 3.354 2.110 9.051) 9.880 10.178 ( -3.156 -2.172 -1.138) 3.997 10.178 ( -3.156 -2.172 1.138) 3.997 10.315 ( -10.517 -2.832 -4.849) 11.922 10.315 ( -10.517 -2.832 4.849) 11.922 10.492 ( -0.550 -6.470 -1.552) 6.676 10.492 ( -0.550 -6.470 1.552) 6.676 12.018 ( -7.172 1.846 -5.110) 8.997 12.018 ( -7.172 1.846 5.110) 8.997 12.717 ( -1.775 -1.761 -7.249) 7.668 12.717 ( -1.775 -1.761 7.249) 7.668 12.918 ( -5.042 10.692 -11.627) 16.581 12.918 ( -5.042 10.692 11.627) 16.581 14.070 ( -7.583 -4.617 -12.511) 15.341 14.070 ( -7.583 -4.617 12.511) 15.341 15.128 ( -0.065 1.889 -2.894) 3.456 15.128 ( -0.065 1.889 2.894) 3.456 15.404 ( 3.052 -1.188 -8.573) 9.177 15.404 ( 3.052 -1.188 8.573) 9.177 16.081 ( 10.381 -2.013 -0.885) 10.611 16.081 ( 10.381 -2.013 0.885) 10.611 16.173 ( 0.011 -1.709 -10.288) 10.429 16.173 ( 0.011 -1.709 10.288) 10.429 23.813 ( -0.525 0.172 -3.858) 3.897 23.813 ( -0.525 0.172 3.858) 3.897 23.918 ( 0.730 -0.503 -0.342) 0.950 23.918 ( 0.730 -0.503 0.342) 0.950 24.279 ( -4.640 2.882 -9.172) 10.675 24.279 ( -4.640 2.882 9.172) 10.675 24.388 ( -1.672 0.364 -8.835) 8.999 24.388 ( -1.672 0.364 8.835) 8.999 26.414 ( -2.644 -0.238 -3.932) 4.744 26.414 ( -2.644 -0.238 3.932) 4.744 26.696 ( -1.943 -4.275 -2.568) 5.352 26.696 ( -1.943 -4.275 2.568) 5.352 27.096 ( -0.835 2.934 -5.632) 6.405 27.096 ( -0.835 2.934 5.632) 6.405 27.541 ( 5.632 -2.797 -14.256) 15.581 27.541 ( 5.632 -2.797 14.256) 15.581 ======================= Grid point 150 (49/60) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 1.633 5.086 -1.816) 5.642 1.428 ( 1.633 5.086 1.816) 5.642 1.877 ( 10.349 11.504 -5.297) 16.355 1.877 ( 10.349 11.504 5.297) 16.355 2.086 ( 2.508 -1.247 -7.022) 7.560 2.086 ( 2.508 -1.247 7.022) 7.560 2.311 ( 7.792 4.034 -12.179) 15.011 2.311 ( 7.792 4.034 12.179) 15.011 2.479 ( -6.311 -3.297 -4.877) 8.631 2.479 ( -6.311 -3.297 4.877) 8.631 2.873 ( -7.158 3.241 -5.239) 9.444 2.873 ( -7.158 3.241 5.239) 9.444 2.979 ( 5.991 -4.511 -4.142) 8.567 2.979 ( 5.991 -4.511 4.142) 8.567 3.204 ( 3.515 3.559 -2.774) 5.720 3.204 ( 3.515 3.559 2.774) 5.720 3.318 ( -2.352 1.878 -1.556) 3.388 3.318 ( -2.352 1.878 1.556) 3.388 3.400 ( 3.284 -4.914 -4.487) 7.421 3.400 ( 3.284 -4.914 4.487) 7.421 3.577 ( -2.904 -2.710 -7.664) 8.632 3.577 ( -2.904 -2.710 7.664) 8.632 3.825 ( 3.327 -1.973 -4.742) 6.120 3.825 ( 3.327 -1.973 4.742) 6.120 3.997 ( 4.887 2.605 -3.268) 6.430 3.997 ( 4.887 2.605 3.268) 6.430 4.151 ( 8.841 0.324 -3.607) 9.554 4.151 ( 8.841 0.324 3.607) 9.554 4.323 ( 5.157 2.313 -3.074) 6.434 4.323 ( 5.157 2.313 3.074) 6.434 4.595 ( 2.763 -0.503 -4.380) 5.203 4.595 ( 2.763 -0.503 4.380) 5.203 5.026 ( 10.180 1.187 -2.541) 10.559 5.026 ( 10.180 1.187 2.541) 10.559 5.168 ( 9.074 1.657 -1.480) 9.343 5.168 ( 9.074 1.657 1.480) 9.343 6.143 ( -1.922 3.323 -6.719) 7.738 6.143 ( -1.922 3.323 6.719) 7.738 6.492 ( -1.228 -1.133 -6.795) 6.997 6.492 ( -1.228 -1.133 6.795) 6.997 6.878 ( -0.510 6.126 -4.427) 7.575 6.878 ( -0.510 6.126 4.427) 7.575 7.169 ( 2.838 1.441 -0.965) 3.326 7.169 ( 2.838 1.441 0.965) 3.326 7.422 ( 1.371 -2.298 -0.567) 2.736 7.422 ( 1.371 -2.298 0.567) 2.736 7.657 ( -0.571 -7.206 -2.428) 7.626 7.657 ( -0.571 -7.206 2.428) 7.626 7.950 ( -9.651 -4.632 -9.807) 14.518 7.950 ( -9.651 -4.632 9.807) 14.518 8.336 ( -0.712 5.993 -7.227) 9.415 8.336 ( -0.712 5.993 7.227) 9.415 8.455 ( -2.282 -11.083 -4.639) 12.229 8.455 ( -2.282 -11.083 4.639) 12.229 8.800 ( 1.084 5.078 -6.580) 8.382 8.800 ( 1.084 5.078 6.580) 8.382 9.605 ( 2.549 2.181 -9.290) 9.877 9.605 ( 2.549 2.181 9.290) 9.877 10.105 ( -7.398 -1.042 -5.592) 9.332 10.105 ( -7.398 -1.042 5.592) 9.332 10.137 ( -2.658 -4.614 -1.453) 5.520 10.137 ( -2.658 -4.614 1.453) 5.520 10.486 ( -0.318 -8.001 -2.282) 8.327 10.486 ( -0.318 -8.001 2.282) 8.327 11.918 ( -3.043 1.431 -3.156) 4.612 11.918 ( -3.043 1.431 3.156) 4.612 12.689 ( -0.025 3.704 -6.016) 7.064 12.689 ( -0.025 3.704 6.016) 7.064 12.823 ( -4.861 5.251 -8.836) 11.370 12.823 ( -4.861 5.251 8.836) 11.370 13.954 ( -3.912 -4.417 -13.056) 14.327 13.954 ( -3.912 -4.417 13.056) 14.327 15.073 ( -3.296 3.278 -5.393) 7.120 15.073 ( -3.296 3.278 5.393) 7.120 15.493 ( 4.070 0.397 -12.721) 13.363 15.493 ( 4.070 0.397 12.721) 13.363 16.159 ( -0.331 -1.551 -10.732) 10.849 16.159 ( -0.331 -1.551 10.732) 10.849 16.259 ( 6.107 -2.476 -0.954) 6.659 16.259 ( 6.107 -2.476 0.954) 6.659 23.803 ( -0.412 0.352 -3.713) 3.753 23.803 ( -0.412 0.352 3.713) 3.753 23.935 ( 0.831 -0.657 -0.306) 1.103 23.935 ( 0.831 -0.657 0.306) 1.103 24.201 ( -2.841 2.907 -10.419) 11.184 24.201 ( -2.841 2.907 10.419) 11.184 24.364 ( -0.884 0.151 -6.598) 6.659 24.364 ( -0.884 0.151 6.598) 6.659 26.378 ( -1.135 -0.287 -4.603) 4.750 26.378 ( -1.135 -0.287 4.603) 4.750 26.656 ( -1.747 -3.942 -2.176) 4.830 26.656 ( -1.747 -3.942 2.176) 4.830 27.063 ( -1.612 3.567 -5.937) 7.112 27.063 ( -1.612 3.567 5.937) 7.112 27.643 ( 3.884 -3.032 -17.408) 18.091 27.643 ( 3.884 -3.032 17.408) 18.091 ======================= Grid point 152 (50/60) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.000 5.301 -2.223) 5.749 1.444 ( 0.000 5.301 2.223) 5.749 2.005 ( -0.000 11.386 -3.875) 12.027 2.005 ( -0.000 11.386 3.875) 12.027 2.113 ( 0.000 -2.268 -6.260) 6.658 2.113 ( 0.000 -2.268 6.260) 6.658 2.366 ( -0.000 -5.828 -7.314) 9.352 2.366 ( -0.000 -5.828 7.314) 9.352 2.443 ( 0.000 5.036 -10.632) 11.764 2.443 ( 0.000 5.036 10.632) 11.764 2.767 ( 0.000 3.409 -9.124) 9.740 2.767 ( 0.000 3.409 9.124) 9.740 3.046 ( 0.000 -1.776 -4.337) 4.687 3.046 ( -0.000 -1.776 4.337) 4.687 3.224 ( 0.000 -3.510 -5.498) 6.523 3.224 ( 0.000 -3.510 5.498) 6.523 3.306 ( 0.000 9.063 -2.838) 9.497 3.306 ( 0.000 9.063 2.838) 9.497 3.440 ( 0.000 -8.842 -3.605) 9.549 3.440 ( 0.000 -8.842 3.605) 9.549 3.538 ( 0.000 -0.214 -8.705) 8.708 3.538 ( 0.000 -0.214 8.705) 8.708 3.845 ( 0.000 -2.111 -3.973) 4.499 3.845 ( 0.000 -2.111 3.973) 4.499 4.059 ( 0.000 3.052 -2.141) 3.729 4.059 ( 0.000 3.052 2.141) 3.729 4.213 ( 0.000 -4.411 -1.495) 4.658 4.213 ( 0.000 -4.411 1.495) 4.658 4.435 ( 0.000 5.812 -6.518) 8.733 4.435 ( 0.000 5.812 6.518) 8.733 4.596 ( 0.000 -0.886 -6.444) 6.504 4.596 ( 0.000 -0.886 6.444) 6.504 5.163 ( -0.000 0.496 -11.275) 11.286 5.163 ( 0.000 0.496 11.275) 11.286 5.248 ( 0.000 4.751 -8.448) 9.692 5.248 ( 0.000 4.751 8.448) 9.692 6.126 ( 0.000 2.051 -6.487) 6.803 6.126 ( 0.000 2.051 6.487) 6.803 6.478 ( 0.000 -1.659 -7.099) 7.291 6.478 ( 0.000 -1.659 7.099) 7.291 6.872 ( 0.000 6.374 -4.216) 7.642 6.872 ( 0.000 6.374 4.216) 7.642 7.199 ( 0.000 1.148 -0.843) 1.424 7.199 ( 0.000 1.148 0.843) 1.424 7.500 ( 0.000 -4.322 -1.111) 4.463 7.500 ( 0.000 -4.322 1.111) 4.463 7.636 ( 0.000 -3.832 -1.930) 4.291 7.636 ( -0.000 -3.832 1.930) 4.291 7.787 ( 0.000 -8.443 -12.589) 15.158 7.787 ( 0.000 -8.443 12.589) 15.158 8.325 ( 0.000 9.215 -6.967) 11.552 8.325 ( 0.000 9.215 6.967) 11.552 8.435 ( 0.000 -11.064 -5.237) 12.241 8.435 ( 0.000 -11.064 5.237) 12.241 8.815 ( 0.000 5.568 -7.959) 9.713 8.815 ( 0.000 5.568 7.959) 9.713 9.632 ( 0.000 1.968 -9.659) 9.857 9.632 ( 0.000 1.968 9.659) 9.857 10.019 ( 0.000 -0.495 -6.307) 6.326 10.019 ( 0.000 -0.495 6.307) 6.326 10.117 ( 0.000 -5.544 -1.912) 5.864 10.117 ( 0.000 -5.544 1.912) 5.864 10.482 ( 0.000 -8.304 -2.245) 8.602 10.482 ( 0.000 -8.304 2.245) 8.602 11.889 ( 0.000 0.963 -2.518) 2.696 11.889 ( 0.000 0.963 2.518) 2.696 12.719 ( 0.000 14.615 -10.733) 18.133 12.719 ( 0.000 14.615 10.733) 18.133 12.741 ( 0.000 -5.432 -13.347) 14.410 12.741 ( -0.000 -5.432 13.347) 14.410 13.915 ( 0.000 -4.345 -13.324) 14.014 13.915 ( 0.000 -4.345 13.324) 14.014 15.037 ( 0.000 3.925 -4.890) 6.271 15.037 ( 0.000 3.925 4.890) 6.271 15.535 ( 0.000 0.607 -12.897) 12.911 15.535 ( 0.000 0.607 12.897) 12.911 16.155 ( 0.000 -1.317 -10.688) 10.769 16.155 ( 0.000 -1.317 10.688) 10.769 16.321 ( 0.000 -2.638 -1.039) 2.836 16.321 ( 0.000 -2.638 1.039) 2.836 23.798 ( -0.000 0.410 -3.746) 3.768 23.798 ( -0.000 0.410 3.746) 3.768 23.944 ( 0.000 -0.791 -0.316) 0.852 23.944 ( 0.000 -0.791 0.316) 0.852 24.173 ( 0.000 2.908 -10.808) 11.192 24.173 ( 0.000 2.908 10.808) 11.192 24.354 ( 0.000 0.114 -5.550) 5.551 24.354 ( 0.000 0.114 5.550) 5.551 26.367 ( 0.000 -0.346 -4.779) 4.791 26.367 ( 0.000 -0.346 4.779) 4.791 26.637 ( -0.000 -3.791 -1.985) 4.280 26.637 ( 0.000 -3.791 1.985) 4.280 27.046 ( 0.000 3.941 -5.423) 6.704 27.046 ( 0.000 3.941 5.423) 6.704 27.683 ( 0.000 -3.227 -17.890) 18.179 27.683 ( 0.000 -3.227 17.890) 18.179 ======================= Grid point 162 (51/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 10.772 -15.717) 19.054 1.635 ( 0.000 10.772 15.717) 19.054 1.638 ( 0.000 15.795 -18.052) 23.986 1.638 ( 0.000 15.795 18.052) 23.986 1.931 ( 0.000 -2.483 -7.516) 7.915 1.931 ( 0.000 -2.483 7.516) 7.915 1.952 ( 0.000 11.277 -7.921) 13.781 1.952 ( 0.000 11.277 7.921) 13.781 2.530 ( 0.000 6.937 -9.989) 12.161 2.530 ( 0.000 6.937 9.989) 12.161 2.773 ( 0.000 -7.489 -2.207) 7.807 2.773 ( 0.000 -7.489 2.207) 7.807 2.822 ( 0.000 -7.709 -5.119) 9.254 2.822 ( 0.000 -7.709 5.119) 9.254 2.998 ( 0.000 -4.674 -1.001) 4.780 2.998 ( 0.000 -4.674 1.001) 4.780 3.185 ( 0.000 4.903 -5.129) 7.095 3.185 ( 0.000 4.903 5.129) 7.095 3.227 ( 0.000 2.095 -6.711) 7.030 3.227 ( 0.000 2.095 6.711) 7.030 3.506 ( 0.000 -0.330 -5.667) 5.676 3.506 ( 0.000 -0.330 5.667) 5.676 3.546 ( 0.000 -2.750 -7.235) 7.739 3.546 ( 0.000 -2.750 7.235) 7.739 3.803 ( 0.000 0.130 -6.909) 6.911 3.803 ( 0.000 0.130 6.909) 6.911 4.036 ( 0.000 -4.206 -3.631) 5.557 4.036 ( 0.000 -4.206 3.631) 5.557 4.118 ( 0.000 4.145 -13.928) 14.532 4.118 ( 0.000 4.145 13.928) 14.532 4.382 ( 0.000 1.521 -2.004) 2.516 4.382 ( 0.000 1.521 2.004) 2.516 4.470 ( 0.000 3.293 -7.205) 7.922 4.470 ( 0.000 3.293 7.205) 7.922 4.845 ( 0.000 -7.460 -3.763) 8.355 4.845 ( 0.000 -7.460 3.763) 8.355 6.605 ( 0.000 3.934 -6.159) 7.309 6.605 ( 0.000 3.934 6.159) 7.309 6.678 ( 0.000 9.144 -12.112) 15.176 6.678 ( 0.000 9.144 12.112) 15.176 6.933 ( 0.000 4.219 -5.911) 7.263 6.933 ( 0.000 4.219 5.911) 7.263 7.100 ( 0.000 1.343 -2.265) 2.634 7.100 ( 0.000 1.343 2.265) 2.634 7.427 ( 0.000 -3.865 -3.170) 4.999 7.427 ( 0.000 -3.865 3.170) 4.999 7.828 ( 0.000 -15.560 -9.898) 18.441 7.828 ( 0.000 -15.560 9.898) 18.441 7.843 ( 0.000 1.517 -0.698) 1.670 7.843 ( 0.000 1.517 0.698) 1.670 8.054 ( 0.000 -9.353 -4.515) 10.386 8.054 ( 0.000 -9.353 4.515) 10.386 8.422 ( 0.000 11.539 -2.511) 11.809 8.422 ( 0.000 11.539 2.511) 11.809 8.785 ( 0.000 -1.431 -2.643) 3.005 8.785 ( 0.000 -1.431 2.643) 3.005 9.495 ( 0.000 2.221 -9.967) 10.212 9.495 ( 0.000 2.221 9.967) 10.212 10.094 ( 0.000 -14.207 -5.403) 15.200 10.094 ( 0.000 -14.207 5.403) 15.200 10.433 ( 0.000 1.030 -1.424) 1.757 10.433 ( 0.000 1.030 1.424) 1.757 10.555 ( 0.000 -3.149 -6.119) 6.882 10.555 ( 0.000 -3.149 6.119) 6.882 12.332 ( 0.000 2.709 -14.069) 14.327 12.332 ( 0.000 2.709 14.069) 14.327 12.604 ( 0.000 -2.964 -5.534) 6.278 12.604 ( 0.000 -2.964 5.534) 6.278 13.441 ( 0.000 14.939 -10.470) 18.243 13.441 ( 0.000 14.939 10.470) 18.243 14.160 ( 0.000 -8.731 -11.454) 14.402 14.160 ( 0.000 -8.731 11.454) 14.402 14.983 ( 0.000 2.666 -5.558) 6.164 14.983 ( 0.000 2.666 5.558) 6.164 15.232 ( 0.000 -8.105 -9.177) 12.244 15.232 ( 0.000 -8.105 9.177) 12.244 15.849 ( 0.000 3.852 -3.674) 5.323 15.849 ( 0.000 3.852 3.674) 5.323 16.114 ( 0.000 -3.274 -10.763) 11.250 16.114 ( 0.000 -3.274 10.763) 11.250 23.824 ( 0.000 0.366 -3.570) 3.589 23.824 ( 0.000 0.366 3.570) 3.589 23.889 ( 0.000 -1.303 -0.417) 1.368 23.889 ( 0.000 -1.303 0.417) 1.368 24.399 ( 0.000 1.593 -10.130) 10.254 24.399 ( 0.000 1.593 10.130) 10.254 24.515 ( 0.000 -0.231 -17.513) 17.515 24.515 ( 0.000 -0.231 17.513) 17.515 26.552 ( 0.000 -3.538 -2.291) 4.215 26.552 ( 0.000 -3.538 2.291) 4.215 26.566 ( 0.000 -2.388 -4.522) 5.114 26.566 ( 0.000 -2.388 4.522) 5.114 27.134 ( 0.000 7.055 -4.823) 8.546 27.134 ( 0.000 7.055 4.823) 8.546 27.371 ( 0.000 -3.676 -13.979) 14.455 27.371 ( 0.000 -3.676 13.979) 14.455 ======================= Grid point 164 (52/60) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -1.846 12.985 -9.298) 16.077 1.593 ( -1.846 12.985 9.298) 16.077 1.711 ( 6.010 11.998 -12.059) 18.042 1.711 ( 6.010 11.998 12.059) 18.042 1.956 ( 2.487 -2.039 -6.718) 7.448 1.956 ( 2.487 -2.039 6.718) 7.448 2.140 ( 14.839 10.240 -6.926) 19.314 2.140 ( 14.839 10.240 6.926) 19.314 2.524 ( 0.100 6.081 -8.334) 10.318 2.524 ( 0.100 6.081 8.334) 10.318 2.711 ( -3.984 -8.557 -1.583) 9.570 2.711 ( -3.984 -8.557 1.583) 9.570 2.913 ( 6.155 -5.094 -4.918) 9.382 2.913 ( 6.155 -5.094 4.918) 9.382 3.028 ( 2.622 -4.562 -1.452) 5.458 3.028 ( 2.622 -4.562 1.452) 5.458 3.237 ( 3.818 3.054 -3.065) 5.770 3.237 ( 3.818 3.054 3.065) 5.770 3.321 ( 8.669 3.914 -6.394) 11.461 3.321 ( 8.669 3.914 6.394) 11.461 3.479 ( -1.548 -2.066 -5.502) 6.077 3.479 ( -1.548 -2.066 5.502) 6.077 3.599 ( 3.636 -2.678 -3.724) 5.853 3.599 ( 3.636 -2.678 3.724) 5.853 3.827 ( 3.370 1.908 -5.440) 6.677 3.827 ( 3.370 1.908 5.440) 6.677 4.022 ( 0.148 -1.989 -2.175) 2.951 4.022 ( 0.148 -1.989 2.175) 2.951 4.146 ( 2.353 3.440 -6.976) 8.126 4.146 ( 2.353 3.440 6.976) 8.126 4.389 ( 2.389 2.038 -2.175) 3.820 4.389 ( 2.389 2.038 2.175) 3.820 4.567 ( 8.442 1.434 -6.994) 11.056 4.567 ( 8.442 1.434 6.994) 11.056 4.866 ( 2.085 -6.994 -4.278) 8.460 4.866 ( 2.085 -6.994 4.278) 8.460 6.546 ( -9.012 7.442 -8.274) 14.320 6.546 ( -9.012 7.442 8.274) 14.320 6.585 ( -3.388 3.424 -3.566) 5.993 6.585 ( -3.388 3.424 3.566) 5.993 6.981 ( 3.190 5.757 -5.043) 8.291 6.981 ( 3.190 5.757 5.043) 8.291 7.114 ( 1.335 2.074 -1.975) 3.160 7.114 ( 1.335 2.074 1.975) 3.160 7.422 ( -0.731 -4.349 -2.444) 5.042 7.422 ( -0.731 -4.349 2.444) 5.042 7.670 ( -7.547 -6.131 -2.800) 10.119 7.670 ( -7.547 -6.131 2.800) 10.119 7.964 ( 3.806 -5.990 -6.161) 9.398 7.964 ( 3.806 -5.990 6.161) 9.398 8.110 ( 4.354 -11.924 -3.308) 13.118 8.110 ( 4.354 -11.924 3.308) 13.118 8.456 ( 2.977 10.917 -4.335) 12.118 8.456 ( 2.977 10.917 4.335) 12.118 8.803 ( 1.700 0.059 -3.397) 3.800 8.803 ( 1.700 0.059 3.397) 3.800 9.513 ( 1.829 1.549 -9.826) 10.114 9.513 ( 1.829 1.549 9.826) 10.114 10.079 ( -1.639 -14.201 -5.424) 15.290 10.079 ( -1.639 -14.201 5.424) 15.290 10.389 ( -4.148 0.167 -0.772) 4.223 10.389 ( -4.148 0.167 0.772) 4.223 10.498 ( -5.429 -2.805 -4.849) 7.801 10.498 ( -5.429 -2.805 4.849) 7.801 12.249 ( -6.773 4.977 -10.669) 13.582 12.249 ( -6.773 4.977 10.669) 13.582 12.624 ( 0.913 -4.887 -6.174) 7.927 12.624 ( 0.913 -4.887 6.174) 7.927 13.346 ( -7.779 15.143 -11.261) 20.412 13.346 ( -7.779 15.143 11.261) 20.412 14.088 ( -6.741 -8.826 -11.836) 16.231 14.088 ( -6.741 -8.826 11.836) 16.231 15.073 ( 7.649 2.652 -4.928) 9.478 15.073 ( 7.649 2.652 4.928) 9.478 15.284 ( 3.796 -5.684 -6.897) 9.710 15.284 ( 3.796 -5.684 6.897) 9.710 15.898 ( 5.252 2.240 -3.080) 6.488 15.898 ( 5.252 2.240 3.080) 6.488 16.118 ( 0.344 -3.292 -10.486) 10.996 16.118 ( 0.344 -3.292 10.486) 10.996 23.824 ( -0.054 0.430 -3.545) 3.571 23.824 ( -0.054 0.430 3.545) 3.571 23.891 ( 0.214 -1.224 -0.586) 1.374 23.891 ( 0.214 -1.224 0.586) 1.374 24.388 ( -1.214 1.651 -8.757) 8.993 24.388 ( -1.214 1.651 8.757) 8.993 24.469 ( -4.043 0.507 -14.922) 15.468 24.469 ( -4.043 0.507 14.922) 15.468 26.475 ( -3.999 -0.699 -2.988) 5.041 26.475 ( -3.999 -0.699 2.988) 5.041 26.606 ( 0.507 -5.220 -3.631) 6.378 26.606 ( 0.507 -5.220 3.631) 6.378 27.165 ( 2.028 5.680 -4.322) 7.420 27.165 ( 2.028 5.680 4.322) 7.420 27.393 ( 2.700 -2.989 -11.416) 12.106 27.393 ( 2.700 -2.989 11.416) 12.106 ======================= Grid point 166 (53/60) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -0.088 11.520 -4.195) 12.260 1.574 ( -0.088 11.520 4.195) 12.260 1.869 ( 9.255 8.644 -10.707) 16.584 1.869 ( 9.255 8.644 10.707) 16.584 2.015 ( 3.247 -1.480 -5.375) 6.452 2.015 ( 3.247 -1.480 5.375) 6.452 2.373 ( 6.158 13.062 -8.845) 16.934 2.373 ( 6.158 13.062 8.845) 16.934 2.543 ( -1.209 1.302 -2.541) 3.101 2.543 ( -1.209 1.302 2.541) 3.101 2.686 ( 5.620 -8.056 -4.477) 10.795 2.686 ( 5.620 -8.056 4.477) 10.795 2.988 ( 0.155 -3.116 -3.066) 4.374 2.988 ( 0.155 -3.116 3.066) 4.374 3.102 ( 4.115 -4.802 -2.048) 6.647 3.102 ( 4.115 -4.802 2.048) 6.647 3.290 ( 0.854 -0.873 -1.071) 1.624 3.290 ( 0.854 -0.873 1.071) 1.624 3.390 ( -0.773 1.575 -3.708) 4.102 3.390 ( -0.773 1.575 3.708) 4.102 3.567 ( 5.465 0.789 -5.521) 7.808 3.567 ( 5.465 0.789 5.521) 7.808 3.679 ( 7.188 0.512 -3.137) 7.860 3.679 ( 7.188 0.512 3.137) 7.860 3.909 ( 4.302 2.240 -5.632) 7.432 3.909 ( 4.302 2.240 5.632) 7.432 4.076 ( 3.635 -1.165 -3.773) 5.367 4.076 ( 3.635 -1.165 3.773) 5.367 4.234 ( 7.548 5.038 -2.847) 9.511 4.234 ( 7.548 5.038 2.847) 9.511 4.489 ( 6.773 1.149 -1.056) 6.950 4.489 ( 6.773 1.149 1.056) 6.950 4.794 ( 13.451 -0.363 -6.044) 14.751 4.794 ( 13.451 -0.363 6.044) 14.751 4.948 ( 7.769 -4.407 -4.758) 10.120 4.948 ( 7.769 -4.407 4.758) 10.120 6.357 ( -8.544 6.807 -8.633) 13.924 6.357 ( -8.544 6.807 8.633) 13.924 6.520 ( -3.500 -0.161 -6.119) 7.051 6.520 ( -3.500 -0.161 6.119) 7.051 7.025 ( 1.024 7.750 -4.924) 9.239 7.025 ( 1.024 7.750 4.924) 9.239 7.154 ( 2.627 2.359 -1.759) 3.944 7.154 ( 2.627 2.359 1.759) 3.944 7.392 ( -2.123 -3.927 -0.657) 4.512 7.392 ( -2.123 -3.927 0.657) 4.512 7.550 ( -4.385 -6.233 -1.289) 7.729 7.550 ( -4.385 -6.233 1.289) 7.729 7.982 ( -2.320 -5.708 -6.307) 8.818 7.982 ( -2.320 -5.708 6.307) 8.818 8.176 ( 1.950 -12.603 -2.976) 13.096 8.176 ( 1.950 -12.603 2.976) 13.096 8.511 ( 2.070 10.602 -5.629) 12.181 8.511 ( 2.070 10.602 5.629) 12.181 8.847 ( 2.507 2.742 -5.034) 6.257 8.847 ( 2.507 2.742 5.034) 6.257 9.563 ( 2.865 -0.116 -9.776) 10.188 9.563 ( 2.865 -0.116 9.776) 10.188 10.025 ( -3.573 -13.604 -4.722) 14.837 10.025 ( -3.573 -13.604 4.722) 14.837 10.270 ( -8.075 -0.517 -3.350) 8.757 10.270 ( -8.075 -0.517 3.350) 8.757 10.382 ( -4.758 -3.892 -0.789) 6.197 10.382 ( -4.758 -3.892 0.789) 6.197 12.113 ( -6.159 7.361 -6.539) 11.614 12.113 ( -6.159 7.361 6.539) 11.614 12.621 ( -1.032 -6.807 -8.123) 10.648 12.621 ( -1.032 -6.807 8.123) 10.648 13.194 ( -6.873 15.029 -12.230) 20.559 13.194 ( -6.873 15.029 12.230) 20.559 13.938 ( -7.248 -8.516 -12.264) 16.597 13.938 ( -7.248 -8.516 12.264) 16.597 15.185 ( 1.608 3.672 -5.170) 6.542 15.185 ( 1.608 3.672 5.170) 6.542 15.376 ( 6.194 -1.549 -6.947) 9.435 15.376 ( 6.194 -1.549 6.947) 9.435 16.043 ( 8.090 -1.389 -2.640) 8.622 16.043 ( 8.090 -1.389 2.640) 8.622 16.126 ( 0.554 -2.850 -9.196) 9.644 16.126 ( 0.554 -2.850 9.196) 9.644 23.821 ( -0.250 0.662 -3.431) 3.503 23.821 ( -0.250 0.662 3.431) 3.503 23.899 ( 0.608 -1.280 -1.052) 1.764 23.899 ( 0.608 -1.280 1.052) 1.764 24.340 ( -3.728 2.760 -9.587) 10.650 24.340 ( -3.728 2.760 9.587) 10.650 24.397 ( -2.349 0.404 -9.656) 9.945 24.397 ( -2.349 0.404 9.656) 9.945 26.410 ( -2.529 -0.017 -3.640) 4.432 26.410 ( -2.529 -0.017 3.640) 4.432 26.589 ( -1.714 -5.865 -3.448) 7.016 26.589 ( -1.714 -5.865 3.448) 7.016 27.181 ( -0.356 5.375 -6.028) 8.085 27.181 ( -0.356 5.375 6.028) 8.085 27.478 ( 5.058 -3.423 -11.124) 12.691 27.478 ( 5.058 -3.423 11.124) 12.691 ======================= Grid point 168 (54/60) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 0.710 9.624 -0.892) 9.692 1.583 ( 0.710 9.624 0.892) 9.692 2.020 ( 3.895 -1.372 -4.661) 6.227 2.020 ( 3.895 -1.372 4.661) 6.227 2.107 ( 7.304 5.710 -5.141) 10.601 2.107 ( 7.304 5.710 5.141) 10.601 2.393 ( -4.477 3.594 -4.380) 7.221 2.393 ( -4.477 3.594 4.380) 7.221 2.525 ( 3.094 8.220 -9.410) 12.872 2.525 ( 3.094 8.220 9.410) 12.872 2.855 ( 5.981 -4.829 -1.801) 7.896 2.855 ( 5.981 -4.829 1.801) 7.896 2.942 ( -2.124 0.720 -4.472) 5.003 2.942 ( -2.124 0.720 4.472) 5.003 3.129 ( -1.413 -7.238 -3.265) 8.065 3.129 ( -1.413 -7.238 3.265) 8.065 3.297 ( 0.574 -3.223 -2.365) 4.038 3.297 ( 0.574 -3.223 2.365) 4.038 3.391 ( 0.265 -0.942 -3.208) 3.354 3.391 ( 0.265 -0.942 3.208) 3.354 3.611 ( 1.484 6.811 -8.375) 10.896 3.611 ( 1.484 6.811 8.375) 10.896 3.795 ( 2.143 -0.739 -6.163) 6.567 3.795 ( 2.143 -0.739 6.163) 6.567 4.012 ( 5.394 -0.703 -2.365) 5.931 4.012 ( 5.394 -0.703 2.365) 5.931 4.127 ( 1.038 -2.051 -2.552) 3.435 4.127 ( 1.038 -2.051 2.552) 3.435 4.418 ( 9.501 5.626 -4.856) 12.063 4.418 ( 9.501 5.626 4.856) 12.063 4.594 ( 2.311 0.440 -3.193) 3.966 4.594 ( 2.311 0.440 3.193) 3.966 5.035 ( 11.793 0.460 -6.231) 13.346 5.035 ( 11.793 0.460 6.231) 13.346 5.203 ( 13.445 0.882 -1.316) 13.538 5.203 ( 13.445 0.882 1.316) 13.538 6.226 ( -4.437 4.625 -7.155) 9.606 6.226 ( -4.437 4.625 7.155) 9.606 6.454 ( -2.732 -2.610 -6.456) 7.480 6.454 ( -2.732 -2.610 6.456) 7.480 7.032 ( 0.069 8.612 -4.590) 9.759 7.032 ( 0.069 8.612 4.590) 9.759 7.206 ( 2.188 1.836 -1.728) 3.338 7.206 ( 2.188 1.836 1.728) 3.338 7.361 ( -0.154 -3.609 -0.696) 3.679 7.361 ( -0.154 -3.609 0.696) 3.679 7.486 ( -2.576 -8.536 -3.190) 9.470 7.486 ( -2.576 -8.536 3.190) 9.470 7.870 ( -8.097 -2.798 -5.747) 10.316 7.870 ( -8.097 -2.798 5.747) 10.316 8.195 ( 0.352 -12.180 -4.163) 12.876 8.195 ( 0.352 -12.180 4.163) 12.876 8.537 ( 0.686 11.991 -4.780) 12.926 8.537 ( 0.686 11.991 4.780) 12.926 8.893 ( 1.889 4.057 -6.386) 7.798 8.893 ( 1.889 4.057 6.386) 7.798 9.612 ( 1.794 -1.849 -10.154) 10.476 9.612 ( 1.794 -1.849 10.154) 10.476 9.957 ( -2.760 -13.303 -3.140) 13.945 9.957 ( -2.760 -13.303 3.140) 13.945 10.106 ( -6.868 1.276 -4.997) 8.589 10.106 ( -6.868 1.276 4.997) 8.589 10.320 ( -1.853 -6.850 -1.455) 7.244 10.320 ( -1.853 -6.850 1.455) 7.244 12.018 ( -3.298 8.080 -4.034) 9.615 12.018 ( -3.298 8.080 4.034) 9.615 12.600 ( -0.743 -8.119 -9.953) 12.866 12.600 ( -0.743 -8.119 9.953) 12.866 13.082 ( -4.254 15.372 -11.797) 19.839 13.082 ( -4.254 15.372 11.797) 19.839 13.826 ( -3.743 -8.228 -12.660) 15.556 13.826 ( -3.743 -8.228 12.660) 15.556 15.171 ( -1.565 6.326 -8.792) 10.944 15.171 ( -1.565 6.326 8.792) 10.944 15.491 ( 4.341 -0.978 -12.884) 13.631 15.491 ( 4.341 -0.978 12.884) 13.631 16.121 ( 0.424 -1.889 -9.277) 9.477 16.121 ( 0.424 -1.889 9.277) 9.477 16.197 ( 5.273 -3.428 -2.289) 6.693 16.197 ( 5.273 -3.428 2.289) 6.693 23.815 ( -0.238 0.937 -3.414) 3.548 23.815 ( -0.238 0.937 3.414) 3.548 23.912 ( 0.562 -1.575 -1.470) 2.227 23.912 ( 0.562 -1.575 1.470) 2.227 24.270 ( -2.652 3.556 -11.348) 12.184 24.270 ( -2.652 3.556 11.348) 12.184 24.366 ( -1.045 -0.017 -7.854) 7.923 24.366 ( -1.045 -0.017 7.854) 7.923 26.373 ( -1.236 -0.042 -4.134) 4.315 26.373 ( -1.236 -0.042 4.134) 4.315 26.554 ( -1.459 -5.714 -3.105) 6.665 26.554 ( -1.459 -5.714 3.105) 6.665 27.167 ( -0.696 6.618 -5.775) 8.811 27.167 ( -0.696 6.618 5.775) 8.811 27.564 ( 3.159 -4.793 -12.230) 13.510 27.564 ( 3.159 -4.793 12.230) 13.510 ======================= Grid point 170 (55/60) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 0.000 8.886 -1.398) 8.995 1.592 ( 0.000 8.886 1.398) 8.995 2.051 ( 0.000 -4.156 -3.600) 5.499 2.051 ( 0.000 -4.156 3.600) 5.499 2.247 ( -0.000 10.620 -4.410) 11.499 2.247 ( -0.000 10.620 4.410) 11.499 2.282 ( 0.000 -1.727 -4.804) 5.105 2.282 ( 0.000 -1.727 4.804) 5.105 2.587 ( -0.000 9.294 -12.952) 15.942 2.587 ( -0.000 9.294 12.952) 15.942 2.832 ( 0.000 2.691 -4.104) 4.908 2.832 ( 0.000 2.691 4.104) 4.908 2.999 ( 0.000 -2.633 -3.867) 4.678 2.999 ( 0.000 -2.633 3.867) 4.678 3.091 ( 0.000 -9.269 -4.866) 10.468 3.091 ( 0.000 -9.269 4.866) 10.468 3.303 ( 0.000 -3.834 -2.882) 4.796 3.303 ( 0.000 -3.834 2.882) 4.796 3.393 ( -0.000 -1.777 -4.552) 4.887 3.393 ( 0.000 -1.777 4.552) 4.887 3.633 ( 0.000 9.613 -9.804) 13.730 3.633 ( 0.000 9.613 9.804) 13.730 3.804 ( 0.000 -1.520 -7.940) 8.084 3.804 ( 0.000 -1.520 7.940) 8.084 4.095 ( 0.000 0.455 -0.898) 1.007 4.095 ( 0.000 0.455 0.898) 1.007 4.110 ( 0.000 -5.146 -2.723) 5.822 4.110 ( -0.000 -5.146 2.723) 5.822 4.558 ( -0.000 5.016 -5.910) 7.751 4.558 ( -0.000 5.016 5.910) 7.751 4.574 ( 0.000 -1.013 -5.654) 5.744 4.574 ( 0.000 -1.013 5.654) 5.744 5.191 ( -0.000 2.779 -9.957) 10.337 5.191 ( 0.000 2.779 9.957) 10.337 5.341 ( 0.000 3.505 -4.932) 6.051 5.341 ( 0.000 3.505 4.932) 6.051 6.182 ( 0.000 3.397 -6.696) 7.509 6.182 ( 0.000 3.397 6.696) 7.509 6.425 ( 0.000 -3.726 -6.928) 7.867 6.425 ( 0.000 -3.726 6.928) 7.867 7.034 ( 0.000 9.104 -4.562) 10.184 7.034 ( 0.000 9.104 4.562) 10.184 7.226 ( 0.000 1.211 -1.996) 2.335 7.226 ( 0.000 1.211 1.996) 2.335 7.394 ( 0.000 -5.481 -0.953) 5.564 7.394 ( 0.000 -5.481 0.953) 5.564 7.438 ( 0.000 -11.327 -5.327) 12.517 7.438 ( 0.000 -11.327 5.327) 12.517 7.758 ( 0.000 2.213 -4.135) 4.690 7.758 ( 0.000 2.213 4.135) 4.690 8.198 ( 0.000 -12.049 -4.566) 12.885 8.198 ( 0.000 -12.049 4.566) 12.885 8.543 ( 0.000 12.682 -4.363) 13.411 8.543 ( 0.000 12.682 4.363) 13.411 8.913 ( 0.000 4.202 -6.914) 8.091 8.913 ( 0.000 4.202 6.914) 8.091 9.630 ( 0.000 -2.660 -10.595) 10.924 9.630 ( 0.000 -2.660 10.595) 10.924 9.928 ( 0.000 -13.463 -2.162) 13.636 9.928 ( 0.000 -13.463 2.162) 13.636 10.035 ( 0.000 2.329 -5.254) 5.747 10.035 ( 0.000 2.329 5.254) 5.747 10.302 ( 0.000 -7.881 -1.651) 8.052 10.302 ( 0.000 -7.881 1.651) 8.052 11.985 ( 0.000 8.132 -3.250) 8.757 11.985 ( 0.000 8.132 3.250) 8.757 12.593 ( 0.000 -9.013 -10.879) 14.127 12.593 ( 0.000 -9.013 10.879) 14.127 13.037 ( 0.000 16.063 -11.340) 19.663 13.037 ( 0.000 16.063 11.340) 19.663 13.790 ( 0.000 -8.162 -12.826) 15.203 13.790 ( 0.000 -8.162 12.826) 15.203 15.152 ( 0.000 7.402 -8.784) 11.486 15.152 ( 0.000 7.402 8.784) 11.486 15.535 ( 0.000 -1.206 -13.765) 13.818 15.535 ( 0.000 -1.206 13.765) 13.818 16.125 ( 0.000 -1.291 -8.980) 9.073 16.125 ( 0.000 -1.291 8.980) 9.073 16.253 ( 0.000 -3.992 -2.428) 4.673 16.253 ( 0.000 -3.992 2.428) 4.673 23.813 ( -0.000 1.051 -3.464) 3.619 23.813 ( -0.000 1.051 3.464) 3.619 23.918 ( 0.000 -1.739 -1.620) 2.377 23.918 ( 0.000 -1.739 1.620) 2.377 24.244 ( 0.000 3.759 -11.477) 12.077 24.244 ( 0.000 3.759 11.477) 12.077 24.355 ( 0.000 -0.152 -6.941) 6.943 24.355 ( 0.000 -0.152 6.941) 6.943 26.360 ( 0.000 -0.091 -4.272) 4.273 26.360 ( 0.000 -0.091 4.272) 4.273 26.539 ( -0.000 -5.570 -2.927) 6.292 26.539 ( 0.000 -5.570 2.927) 6.292 27.160 ( 0.000 7.179 -5.315) 8.933 27.160 ( 0.000 7.179 5.315) 8.933 27.596 ( 0.000 -5.346 -12.451) 13.550 27.596 ( 0.000 -5.346 12.451) 13.550 ======================= Grid point 180 (56/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 0.000 4.793 -11.443) 12.407 1.781 ( 0.000 4.793 11.443) 12.407 1.849 ( 0.000 -1.360 -4.023) 4.247 1.849 ( 0.000 -1.360 4.023) 4.247 1.988 ( 0.000 13.270 -7.422) 15.204 1.988 ( 0.000 13.270 7.422) 15.204 2.133 ( 0.000 3.118 -3.799) 4.915 2.133 ( 0.000 3.118 3.799) 4.915 2.553 ( 0.000 -3.436 -5.867) 6.799 2.553 ( 0.000 -3.436 5.867) 6.799 2.612 ( 0.000 -7.772 -1.027) 7.839 2.612 ( 0.000 -7.772 1.027) 7.839 2.761 ( 0.000 4.414 -2.591) 5.119 2.761 ( 0.000 4.414 2.591) 5.119 2.884 ( 0.000 -6.479 -1.009) 6.557 2.884 ( 0.000 -6.479 1.009) 6.557 3.267 ( 0.000 1.555 -5.482) 5.698 3.267 ( 0.000 1.555 5.482) 5.698 3.270 ( 0.000 1.947 -3.600) 4.093 3.270 ( 0.000 1.947 3.600) 4.093 3.501 ( 0.000 -0.096 -3.181) 3.182 3.501 ( 0.000 -0.096 3.181) 3.182 3.508 ( 0.000 -0.989 -7.320) 7.387 3.508 ( 0.000 -0.989 7.320) 7.387 3.864 ( 0.000 4.745 -4.430) 6.492 3.864 ( 0.000 4.745 4.430) 6.492 3.954 ( 0.000 -4.156 -3.598) 5.497 3.954 ( 0.000 -4.156 3.598) 5.497 4.237 ( 0.000 7.644 -11.286) 13.631 4.237 ( 0.000 7.644 11.286) 13.631 4.366 ( 0.000 -3.764 -5.090) 6.331 4.366 ( 0.000 -3.764 5.090) 6.331 4.550 ( 0.000 4.888 -3.732) 6.150 4.550 ( 0.000 4.888 3.732) 6.150 4.680 ( 0.000 -8.211 -1.965) 8.443 4.680 ( 0.000 -8.211 1.965) 8.443 6.703 ( 0.000 5.270 -8.228) 9.771 6.703 ( 0.000 5.270 8.228) 9.771 6.768 ( 0.000 0.049 -10.556) 10.557 6.768 ( 0.000 0.049 10.556) 10.557 7.013 ( 0.000 3.682 -5.594) 6.697 7.013 ( 0.000 3.682 5.594) 6.697 7.084 ( 0.000 -3.024 -3.148) 4.366 7.084 ( 0.000 -3.024 3.148) 4.366 7.404 ( 0.000 2.177 -4.341) 4.857 7.404 ( 0.000 2.177 4.341) 4.857 7.533 ( 0.000 -11.150 -7.318) 13.336 7.533 ( 0.000 -11.150 7.318) 13.336 7.881 ( 0.000 2.282 -1.778) 2.893 7.881 ( 0.000 2.282 1.778) 2.893 7.939 ( 0.000 -3.785 -2.754) 4.680 7.939 ( 0.000 -3.785 2.754) 4.680 8.637 ( 0.000 8.928 -2.094) 9.170 8.637 ( 0.000 8.928 2.094) 9.170 8.751 ( 0.000 -2.844 -2.857) 4.031 8.751 ( 0.000 -2.843 2.857) 4.031 9.578 ( 0.000 6.976 -9.983) 12.179 9.578 ( 0.000 6.976 9.983) 12.179 9.794 ( 0.000 -14.187 -8.203) 16.388 9.794 ( 0.000 -14.187 8.203) 16.388 10.459 ( 0.000 1.500 -2.846) 3.217 10.459 ( 0.000 1.500 2.846) 3.217 10.498 ( 0.000 -2.473 -4.562) 5.189 10.498 ( 0.000 -2.473 4.562) 5.189 12.421 ( 0.000 5.459 -11.563) 12.787 12.421 ( 0.000 5.459 11.563) 12.787 12.526 ( 0.000 -4.772 -8.247) 9.528 12.526 ( 0.000 -4.772 8.247) 9.528 13.721 ( 0.000 13.013 -11.468) 17.345 13.721 ( 0.000 13.013 11.468) 17.345 13.961 ( 0.000 -11.081 -11.727) 16.134 13.961 ( 0.000 -11.081 11.727) 16.134 15.040 ( 0.000 3.000 -7.119) 7.725 15.040 ( 0.000 3.000 7.119) 7.725 15.110 ( 0.000 -4.428 -9.008) 10.038 15.110 ( 0.000 -4.428 9.008) 10.038 15.937 ( 0.000 4.861 -6.818) 8.373 15.937 ( 0.000 4.861 6.818) 8.373 16.034 ( 0.000 -4.618 -9.319) 10.401 16.034 ( 0.000 -4.618 9.319) 10.401 23.838 ( 0.000 1.024 -2.609) 2.803 23.838 ( 0.000 1.024 2.609) 2.803 23.862 ( 0.000 -1.357 -1.472) 2.002 23.862 ( 0.000 -1.357 1.472) 2.002 24.439 ( 0.000 2.351 -12.673) 12.889 24.439 ( 0.000 2.351 12.673) 12.889 24.487 ( 0.000 -2.232 -15.769) 15.926 24.487 ( 0.000 -2.232 15.769) 15.926 26.511 ( 0.000 -0.609 -3.163) 3.221 26.511 ( 0.000 -0.609 3.163) 3.221 26.523 ( 0.000 -1.636 -4.014) 4.335 26.523 ( 0.000 -1.636 4.014) 4.335 27.248 ( 0.000 4.370 -7.446) 8.634 27.248 ( 0.000 4.370 7.446) 8.634 27.314 ( 0.000 -2.562 -10.824) 11.123 27.314 ( 0.000 -2.562 10.824) 11.123 ======================= Grid point 182 (57/60) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 0.127 6.204 -8.968) 10.906 1.779 ( 0.127 6.204 8.968) 10.906 1.872 ( 1.831 -2.531 -4.344) 5.351 1.872 ( 1.831 -2.531 4.344) 5.351 2.021 ( 3.211 14.109 -5.029) 15.319 2.021 ( 3.211 14.109 5.029) 15.319 2.247 ( 9.121 -3.667 -4.115) 10.657 2.247 ( 9.121 -3.667 4.115) 10.657 2.575 ( 1.769 -0.380 -2.521) 3.103 2.575 ( 1.769 -0.380 2.521) 3.103 2.634 ( 2.133 0.602 -2.476) 3.323 2.634 ( 2.133 0.602 2.476) 3.323 2.805 ( 4.366 -1.011 -1.717) 4.799 2.805 ( 4.366 -1.011 1.717) 4.799 2.906 ( 2.100 -7.093 -1.845) 7.624 2.906 ( 2.100 -7.093 1.845) 7.624 3.297 ( 2.189 2.840 -1.397) 3.848 3.297 ( 2.189 2.840 1.397) 3.848 3.352 ( 5.157 -2.202 -1.879) 5.913 3.352 ( 5.157 -2.202 1.879) 5.914 3.491 ( 1.789 3.705 -2.328) 4.727 3.491 ( 1.789 3.705 2.328) 4.727 3.556 ( 4.572 -2.440 -3.623) 6.323 3.556 ( 4.572 -2.440 3.623) 6.323 3.896 ( 3.183 4.173 -3.240) 6.168 3.896 ( 3.183 4.173 3.240) 6.168 3.970 ( 1.728 -3.167 -2.449) 4.360 3.970 ( 1.728 -3.167 2.449) 4.360 4.270 ( 3.614 8.112 -8.971) 12.623 4.270 ( 3.614 8.112 8.971) 12.623 4.394 ( 3.131 -2.678 -3.200) 5.217 4.394 ( 3.131 -2.678 3.200) 5.217 4.603 ( 5.496 2.891 -3.359) 7.060 4.603 ( 5.496 2.891 3.359) 7.060 4.710 ( 3.226 -7.670 -2.385) 8.656 4.710 ( 3.226 -7.670 2.385) 8.656 6.632 ( -6.306 2.905 -5.681) 8.971 6.632 ( -6.306 2.905 5.681) 8.971 6.654 ( -8.656 1.353 -7.819) 11.743 6.654 ( -8.656 1.353 7.819) 11.743 7.080 ( 4.895 4.126 -2.450) 6.855 7.080 ( 4.895 4.126 2.450) 6.855 7.138 ( 3.978 -0.737 -0.395) 4.065 7.138 ( 3.978 -0.737 0.395) 4.065 7.375 ( -2.526 1.047 -3.762) 4.651 7.375 ( -2.526 1.047 3.762) 4.651 7.490 ( -3.636 -9.437 -5.436) 11.481 7.490 ( -3.636 -9.437 5.436) 11.481 7.903 ( 1.462 0.617 -1.570) 2.233 7.903 ( 1.462 0.617 1.570) 2.233 7.960 ( 1.712 -4.648 -2.919) 5.750 7.960 ( 1.712 -4.648 2.919) 5.750 8.674 ( 3.267 9.367 -2.895) 10.335 8.674 ( 3.267 9.367 2.895) 10.335 8.790 ( 3.510 -2.368 -3.352) 5.401 8.790 ( 3.510 -2.368 3.352) 5.401 9.576 ( -0.157 5.875 -9.832) 11.454 9.576 ( -0.157 5.875 9.832) 11.454 9.778 ( -1.590 -14.009 -8.068) 16.244 9.778 ( -1.590 -14.009 8.068) 16.244 10.408 ( -4.848 1.407 -1.706) 5.329 10.408 ( -4.848 1.407 1.706) 5.329 10.445 ( -5.038 -2.330 -3.209) 6.412 10.445 ( -5.038 -2.330 3.209) 6.412 12.375 ( -4.043 7.041 -9.684) 12.637 12.375 ( -4.043 7.041 9.684) 12.637 12.511 ( -1.650 -6.386 -7.833) 10.240 12.511 ( -1.650 -6.386 7.833) 10.240 13.633 ( -7.356 13.514 -11.566) 19.248 13.633 ( -7.356 13.514 11.566) 19.248 13.883 ( -6.865 -11.505 -11.751) 17.821 13.883 ( -6.865 -11.505 11.751) 17.821 15.130 ( 7.694 2.973 -5.710) 10.032 15.130 ( 7.694 2.973 5.710) 10.032 15.194 ( 6.870 -3.581 -7.000) 10.441 15.194 ( 6.870 -3.581 7.000) 10.441 15.960 ( 2.440 3.805 -6.154) 7.635 15.960 ( 2.440 3.805 6.154) 7.635 16.042 ( 0.833 -4.182 -8.863) 9.836 16.042 ( 0.833 -4.182 8.863) 9.836 23.839 ( 0.080 1.080 -2.654) 2.867 23.839 ( 0.080 1.080 2.654) 2.867 23.864 ( 0.194 -1.391 -1.600) 2.129 23.864 ( 0.194 -1.391 1.600) 2.129 24.424 ( -1.505 1.881 -11.453) 11.704 24.424 ( -1.505 1.881 11.453) 11.704 24.458 ( -2.684 -1.370 -14.131) 14.449 24.458 ( -2.684 -1.370 14.131) 14.449 26.475 ( -2.599 0.962 -3.012) 4.093 26.475 ( -2.599 0.962 3.012) 4.093 26.518 ( -1.143 -3.363 -3.364) 4.892 26.518 ( -1.143 -3.363 3.364) 4.892 27.268 ( 1.559 4.428 -6.540) 8.050 27.268 ( 1.559 4.428 6.540) 8.050 27.339 ( 2.479 -2.831 -9.017) 9.770 27.339 ( 2.479 -2.831 9.017) 9.770 ======================= Grid point 184 (58/60) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -0.113 8.401 -4.025) 9.316 1.781 ( -0.113 8.401 4.025) 9.316 1.910 ( 1.759 -4.490 -3.792) 6.135 1.910 ( 1.759 -4.490 3.792) 6.135 2.114 ( 5.932 12.082 -4.542) 14.205 2.114 ( 5.932 12.082 4.542) 14.205 2.380 ( 2.814 -12.695 -3.208) 13.392 2.380 ( 2.814 -12.695 3.208) 13.392 2.636 ( 4.126 8.565 -0.750) 9.537 2.636 ( 4.126 8.565 0.750) 9.537 2.696 ( 4.645 5.329 -2.030) 7.355 2.696 ( 4.645 5.329 2.030) 7.355 2.892 ( 3.159 -3.744 -1.867) 5.243 2.892 ( 3.159 -3.744 1.867) 5.243 2.969 ( 3.797 -7.669 -4.309) 9.581 2.969 ( 3.797 -7.669 4.309) 9.581 3.301 ( -1.691 2.012 -3.200) 4.140 3.301 ( -1.691 2.012 3.200) 4.140 3.358 ( -1.980 -3.248 -4.681) 6.032 3.358 ( -1.980 -3.248 4.681) 6.032 3.633 ( 7.608 3.497 -5.362) 9.943 3.633 ( 7.608 3.497 5.362) 9.943 3.677 ( 7.079 -1.029 -4.601) 8.505 3.677 ( 7.079 -1.029 4.601) 8.505 3.965 ( 3.055 3.298 -2.168) 4.991 3.965 ( 3.055 3.298 2.168) 4.991 4.030 ( 3.730 -2.920 -1.261) 4.902 4.030 ( 3.730 -2.920 1.261) 4.902 4.385 ( 7.280 8.164 -5.057) 12.050 4.385 ( 7.280 8.164 5.057) 12.050 4.494 ( 6.159 -1.875 -1.676) 6.653 4.494 ( 6.159 -1.875 1.676) 6.653 4.780 ( 12.249 0.613 -1.624) 12.372 4.780 ( 12.249 0.613 1.624) 12.372 4.848 ( 12.689 -5.191 -2.647) 13.963 4.848 ( 12.689 -5.191 2.647) 13.963 6.462 ( -8.849 3.688 -8.042) 12.513 6.462 ( -8.849 3.688 8.042) 12.513 6.509 ( -6.642 -1.172 -6.806) 9.582 6.509 ( -6.642 -1.172 6.806) 9.582 7.162 ( 2.838 5.091 -2.972) 6.542 7.162 ( 2.838 5.091 2.972) 6.542 7.206 ( 2.527 2.062 -0.376) 3.283 7.206 ( 2.527 2.062 0.376) 3.283 7.322 ( -2.465 -1.074 -2.884) 3.943 7.322 ( -2.465 -1.074 2.884) 3.943 7.417 ( -3.373 -7.323 -4.180) 9.082 7.417 ( -3.373 -7.323 4.180) 9.082 7.911 ( -1.057 0.224 -1.985) 2.260 7.911 ( -1.057 0.224 1.985) 2.260 7.986 ( 0.564 -6.620 -3.312) 7.423 7.986 ( 0.564 -6.620 3.312) 7.423 8.743 ( 3.249 10.664 -3.719) 11.751 8.743 ( 3.249 10.664 3.719) 11.751 8.870 ( 4.040 -1.635 -4.272) 6.103 8.870 ( 4.040 -1.635 4.272) 6.103 9.573 ( -0.154 2.790 -9.706) 10.101 9.573 ( -0.154 2.790 9.706) 10.101 9.732 ( -2.837 -13.101 -7.671) 15.445 9.732 ( -2.837 -13.101 7.671) 15.445 10.283 ( -7.207 1.480 -2.204) 7.680 10.283 ( -7.207 1.480 2.204) 7.680 10.322 ( -6.386 -2.404 -1.363) 6.958 10.322 ( -6.386 -2.404 1.363) 6.958 12.284 ( -4.560 9.191 -7.340) 12.615 12.284 ( -4.560 9.191 7.340) 12.615 12.464 ( -2.771 -8.625 -7.784) 11.944 12.464 ( -2.771 -8.625 7.784) 11.944 13.484 ( -6.850 13.756 -11.931) 19.455 13.484 ( -6.850 13.756 11.931) 19.455 13.737 ( -6.920 -11.484 -12.011) 18.001 13.737 ( -6.920 -11.484 12.011) 18.001 15.265 ( 4.506 4.102 -6.721) 9.072 15.265 ( 4.506 4.102 6.721) 9.072 15.336 ( 6.769 -2.741 -6.730) 9.931 15.336 ( 6.769 -2.741 6.730) 9.931 16.035 ( 4.697 0.685 -4.872) 6.802 16.035 ( 4.697 0.685 4.872) 6.802 16.069 ( 1.928 -2.558 -7.220) 7.899 16.069 ( 1.928 -2.558 7.220) 7.899 23.840 ( 0.045 1.293 -2.760) 3.048 23.840 ( 0.045 1.293 2.760) 3.048 23.870 ( 0.338 -1.584 -1.936) 2.525 23.870 ( 0.338 -1.584 1.936) 2.525 24.382 ( -2.713 1.451 -9.042) 9.551 24.382 ( -2.713 1.451 9.042) 9.551 24.399 ( -2.668 -0.319 -9.687) 10.053 24.399 ( -2.668 -0.319 9.687) 10.053 26.424 ( -2.339 1.701 -3.297) 4.386 26.424 ( -2.339 1.701 3.297) 4.386 26.484 ( -2.000 -4.318 -3.349) 5.818 26.484 ( -2.000 -4.318 3.349) 5.818 27.296 ( 1.137 5.796 -6.675) 8.913 27.296 ( 1.137 5.796 6.675) 8.913 27.400 ( 3.199 -4.519 -8.265) 9.948 27.400 ( 3.199 -4.519 8.265) 9.948 ======================= Grid point 186 (59/60) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -0.192 9.145 -0.806) 9.182 1.777 ( -0.192 9.145 0.806) 9.182 1.934 ( 0.608 -6.374 -2.029) 6.717 1.934 ( 0.608 -6.374 2.029) 6.717 2.235 ( 5.634 7.622 -3.616) 10.145 2.235 ( 5.634 7.622 3.616) 10.145 2.386 ( -1.145 -5.516 -2.573) 6.193 2.386 ( -1.145 -5.516 2.573) 6.193 2.717 ( 4.270 8.388 -6.178) 11.259 2.717 ( 4.270 8.388 6.178) 11.259 2.809 ( 5.463 -0.139 -2.141) 5.869 2.809 ( 5.463 -0.139 2.141) 5.869 2.923 ( 0.004 -0.779 -3.094) 3.190 2.923 ( 0.004 -0.779 3.094) 3.190 3.000 ( -1.348 -5.638 -4.299) 7.217 3.000 ( -1.348 -5.638 4.299) 7.217 3.272 ( -0.468 1.023 -2.648) 2.877 3.272 ( -0.468 1.023 2.648) 2.877 3.328 ( -0.857 -3.886 -5.123) 6.487 3.328 ( -0.857 -3.886 5.123) 6.487 3.733 ( 3.601 4.075 -6.158) 8.216 3.733 ( 3.601 4.075 6.158) 8.216 3.785 ( 2.666 -1.204 -4.773) 5.598 3.785 ( 2.666 -1.204 4.773) 5.598 4.017 ( 2.270 2.253 -1.481) 3.524 4.017 ( 2.270 2.253 1.481) 3.524 4.079 ( 0.947 -2.942 -2.013) 3.688 4.079 ( 0.947 -2.942 2.013) 3.688 4.513 ( 5.013 4.214 -5.505) 8.555 4.513 ( 5.013 4.214 5.505) 8.555 4.585 ( 2.381 -2.261 -3.726) 4.966 4.585 ( 2.381 -2.261 3.726) 4.966 5.083 ( 16.285 4.526 -4.017) 17.373 5.083 ( 16.285 4.526 4.017) 17.373 5.177 ( 16.372 -3.629 -0.997) 16.799 5.177 ( 16.372 -3.629 0.997) 16.799 6.315 ( -5.638 4.110 -6.751) 9.709 6.315 ( -5.638 4.110 6.751) 9.709 6.391 ( -4.787 -3.589 -6.436) 8.787 6.391 ( -4.787 -3.589 6.436) 8.787 7.189 ( 0.404 5.819 -3.739) 6.929 7.189 ( 0.404 5.819 3.739) 6.929 7.235 ( 0.396 1.515 -1.518) 2.181 7.235 ( 0.396 1.515 1.518) 2.181 7.286 ( -1.058 -2.528 -1.862) 3.314 7.286 ( -1.058 -2.528 1.862) 3.314 7.353 ( -3.152 -5.230 -3.148) 6.870 7.353 ( -3.152 -5.230 3.148) 6.870 7.865 ( -2.939 2.847 -2.340) 4.713 7.865 ( -2.939 2.847 2.340) 4.713 7.983 ( -0.539 -8.644 -3.397) 9.303 7.983 ( -0.539 -8.644 3.397) 9.303 8.793 ( 1.666 12.028 -3.654) 12.681 8.793 ( 1.666 12.028 3.654) 12.681 8.935 ( 2.273 -1.346 -4.842) 5.516 8.935 ( 2.273 -1.346 4.842) 5.516 9.568 ( -0.330 -0.532 -9.858) 9.878 9.568 ( -0.330 -0.532 9.858) 9.878 9.677 ( -2.403 -11.839 -7.106) 14.015 9.677 ( -2.403 -11.839 7.106) 14.015 10.152 ( -5.110 2.964 -4.171) 7.232 10.152 ( -5.110 2.964 4.171) 7.232 10.219 ( -3.668 -3.857 -3.039) 6.129 10.219 ( -3.668 -3.857 3.039) 6.129 12.209 ( -2.808 10.367 -5.840) 12.226 12.209 ( -2.808 10.367 5.840) 12.226 12.415 ( -1.925 -10.072 -7.897) 12.943 12.415 ( -1.925 -10.072 7.897) 12.943 13.377 ( -3.745 13.899 -11.915) 18.686 13.377 ( -3.745 13.899 11.915) 18.686 13.630 ( -3.644 -11.353 -12.232) 17.082 13.630 ( -3.644 -11.353 12.232) 17.082 15.312 ( 0.809 7.283 -12.092) 14.139 15.312 ( 0.809 7.283 12.092) 14.139 15.437 ( 3.197 -4.704 -13.378) 14.537 15.437 ( 3.197 -4.704 13.378) 14.537 16.102 ( 1.878 0.269 -6.544) 6.813 16.102 ( 1.878 0.269 6.544) 6.813 16.133 ( 3.745 -2.691 -4.127) 6.188 16.133 ( 3.745 -2.691 4.127) 6.188 23.841 ( 0.002 1.590 -2.921) 3.326 23.841 ( 0.002 1.590 2.921) 3.326 23.876 ( 0.271 -1.900 -2.284) 2.983 23.876 ( 0.271 -1.900 2.284) 2.983 24.330 ( -2.059 2.226 -10.817) 11.234 24.330 ( -2.059 2.226 10.817) 11.234 24.359 ( -1.439 -0.787 -9.427) 9.568 24.359 ( -1.439 -0.787 9.427) 9.568 26.387 ( -1.292 1.763 -3.597) 4.209 26.387 ( -1.292 1.763 3.597) 4.209 26.449 ( -1.321 -4.422 -3.371) 5.715 26.449 ( -1.321 -4.422 3.371) 5.715 27.312 ( 0.504 7.494 -6.221) 9.752 27.312 ( 0.504 7.494 6.221) 9.752 27.453 ( 1.876 -6.376 -8.176) 10.537 27.453 ( 1.876 -6.376 8.176) 10.537 ======================= Grid point 188 (60/60) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.000 9.031 -0.282) 9.035 1.775 ( 0.000 9.031 0.282) 9.035 1.939 ( 0.000 -7.089 -1.125) 7.178 1.939 ( 0.000 -7.089 1.125) 7.178 2.307 ( -0.000 3.579 -3.717) 5.160 2.307 ( -0.000 3.579 3.717) 5.160 2.361 ( 0.000 0.345 -5.102) 5.114 2.361 ( 0.000 0.345 5.102) 5.114 2.782 ( -0.000 8.455 -8.510) 11.996 2.782 ( -0.000 8.455 8.510) 11.996 2.859 ( 0.000 -0.237 -2.904) 2.914 2.859 ( 0.000 -0.237 2.904) 2.914 2.938 ( 0.000 -4.097 -3.966) 5.702 2.938 ( 0.000 -4.097 3.966) 5.702 2.947 ( -0.000 -2.729 -7.717) 8.185 2.947 ( -0.000 -2.729 7.717) 8.185 3.272 ( 0.000 0.535 -4.508) 4.540 3.272 ( 0.000 0.535 4.508) 4.540 3.322 ( 0.000 -3.995 -6.562) 7.682 3.322 ( 0.000 -3.995 6.562) 7.682 3.783 ( -0.000 3.444 -8.741) 9.395 3.783 ( -0.000 3.444 8.741) 9.395 3.794 ( 0.000 0.399 -8.817) 8.826 3.794 ( 0.000 0.399 8.817) 8.826 4.047 ( 0.000 -0.122 -4.106) 4.108 4.047 ( 0.000 -0.122 4.106) 4.108 4.080 ( 0.000 -1.835 -2.797) 3.345 4.080 ( 0.000 -1.835 2.797) 3.345 4.572 ( -0.000 1.025 -5.737) 5.828 4.572 ( -0.000 1.025 5.737) 5.828 4.599 ( 0.000 -0.671 -5.503) 5.544 4.599 ( 0.000 -0.671 5.503) 5.544 5.278 ( 0.000 5.270 -5.608) 7.696 5.278 ( 0.000 5.270 5.608) 7.696 5.359 ( 0.000 -1.911 -0.320) 1.938 5.359 ( 0.000 -1.911 0.320) 1.938 6.255 ( 0.000 3.855 -6.191) 7.293 6.255 ( 0.000 3.855 6.191) 7.293 6.339 ( 0.000 -4.531 -6.481) 7.908 6.339 ( 0.000 -4.531 6.481) 7.908 7.197 ( -0.000 5.867 -5.105) 7.777 7.197 ( 0.000 5.867 5.105) 7.777 7.230 ( 0.000 -0.637 -3.756) 3.810 7.230 ( 0.000 -0.637 3.756) 3.810 7.279 ( -0.000 -3.518 -2.352) 4.232 7.279 ( -0.000 -3.518 2.352) 4.232 7.310 ( 0.000 -3.047 -0.899) 3.177 7.310 ( 0.000 -3.047 0.899) 3.177 7.829 ( 0.000 5.155 -2.290) 5.641 7.829 ( 0.000 5.155 2.290) 5.641 7.976 ( 0.000 -9.634 -3.405) 10.218 7.976 ( 0.000 -9.634 3.405) 10.218 8.809 ( 0.000 12.523 -3.516) 13.007 8.809 ( 0.000 12.523 3.516) 13.007 8.958 ( 0.000 -1.315 -5.044) 5.213 8.958 ( 0.000 -1.315 5.044) 5.213 9.564 ( 0.000 -1.862 -10.034) 10.205 9.564 ( 0.000 -1.862 10.034) 10.205 9.650 ( 0.000 -11.302 -6.653) 13.115 9.650 ( 0.000 -11.302 6.653) 13.115 10.100 ( 0.000 3.797 -4.380) 5.796 10.100 ( 0.000 3.797 4.380) 5.796 10.182 ( 0.000 -4.645 -3.055) 5.560 10.182 ( 0.000 -4.645 3.055) 5.560 12.180 ( 0.000 10.711 -5.344) 11.970 12.180 ( 0.000 10.711 5.344) 11.970 12.395 ( 0.000 -10.606 -7.968) 13.265 12.395 ( 0.000 -10.606 7.968) 13.265 13.339 ( 0.000 14.071 -11.769) 18.343 13.339 ( 0.000 14.071 11.769) 18.343 13.594 ( 0.000 -11.368 -12.267) 16.725 13.594 ( 0.000 -11.368 12.267) 16.725 15.317 ( 0.000 8.571 -12.756) 15.368 15.317 ( 0.000 8.571 12.756) 15.368 15.467 ( 0.000 -5.777 -14.571) 15.675 15.467 ( 0.000 -5.777 14.571) 15.675 16.122 ( 0.000 1.291 -6.258) 6.390 16.122 ( 0.000 1.291 6.258) 6.390 16.174 ( 0.000 -3.615 -4.137) 5.494 16.174 ( 0.000 -3.615 4.137) 5.494 23.841 ( 0.000 1.728 -3.014) 3.474 23.841 ( 0.000 1.728 3.014) 3.474 23.879 ( 0.000 -2.052 -2.427) 3.178 23.879 ( 0.000 -2.052 2.427) 3.178 24.309 ( 0.000 2.563 -10.594) 10.900 24.309 ( 0.000 2.563 10.594) 10.900 24.344 ( 0.000 -1.060 -8.814) 8.878 24.344 ( 0.000 -1.060 8.815) 8.878 26.374 ( 0.000 1.740 -3.695) 4.084 26.374 ( 0.000 1.740 3.695) 4.084 26.435 ( 0.000 -4.378 -3.362) 5.520 26.435 ( 0.000 -4.378 3.362) 5.520 27.317 ( 0.000 8.168 -5.855) 10.050 27.317 ( 0.000 8.168 5.855) 10.050 27.471 ( 0.000 -7.089 -8.040) 10.719 27.471 ( 0.000 -7.089 8.040) 10.719 =================== 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 3/21504 10.0 1089.078 805.547 472.394 0.000 0.000 0.000 3/21504 20.0 141.785 134.813 106.343 0.000 0.000 0.000 3/21504 30.0 56.584 57.081 44.315 0.000 0.000 0.000 3/21504 40.0 33.407 35.047 26.862 0.000 0.000 0.000 3/21504 50.0 23.639 25.104 19.207 0.000 0.000 0.000 3/21504 60.0 18.300 19.472 14.910 0.000 0.000 0.000 3/21504 70.0 14.910 15.860 12.149 0.000 0.000 0.000 3/21504 80.0 12.561 13.361 10.230 0.000 0.000 0.000 3/21504 90.0 10.839 11.541 8.826 0.000 0.000 0.000 3/21504 100.0 9.526 10.162 7.760 0.000 0.000 0.000 3/21504 110.0 8.495 9.085 6.927 0.000 0.000 0.000 3/21504 120.0 7.667 8.222 6.260 0.000 0.000 0.000 3/21504 130.0 6.987 7.516 5.715 0.000 0.000 0.000 3/21504 140.0 6.420 6.927 5.263 0.000 0.000 0.000 3/21504 150.0 5.940 6.428 4.881 0.000 0.000 0.000 3/21504 160.0 5.529 6.000 4.554 0.000 0.000 0.000 3/21504 170.0 5.173 5.629 4.271 0.000 0.000 0.000 3/21504 180.0 4.861 5.303 4.024 0.000 0.000 0.000 3/21504 190.0 4.586 5.014 3.806 0.000 0.000 0.000 3/21504 200.0 4.341 4.757 3.612 0.000 0.000 0.000 3/21504 210.0 4.122 4.526 3.438 0.000 0.000 0.000 3/21504 220.0 3.925 4.317 3.282 0.000 0.000 0.000 3/21504 230.0 3.746 4.127 3.140 0.000 0.000 0.000 3/21504 240.0 3.584 3.954 3.010 0.000 0.000 0.000 3/21504 250.0 3.435 3.796 2.892 0.000 0.000 0.000 3/21504 260.0 3.298 3.650 2.783 0.000 0.000 0.000 3/21504 270.0 3.172 3.515 2.682 0.000 0.000 0.000 3/21504 280.0 3.056 3.390 2.589 0.000 0.000 0.000 3/21504 290.0 2.948 3.274 2.502 0.000 0.000 0.000 3/21504 300.0 2.848 3.166 2.421 0.000 0.000 0.000 3/21504 310.0 2.754 3.065 2.346 0.000 0.000 0.000 3/21504 320.0 2.667 2.970 2.275 0.000 0.000 0.000 3/21504 330.0 2.585 2.881 2.209 0.000 0.000 0.000 3/21504 340.0 2.508 2.797 2.146 0.000 0.000 0.000 3/21504 350.0 2.435 2.718 2.087 0.000 0.000 0.000 3/21504 360.0 2.367 2.644 2.031 0.000 0.000 0.000 3/21504 370.0 2.302 2.574 1.979 0.000 0.000 0.000 3/21504 380.0 2.241 2.507 1.929 0.000 0.000 0.000 3/21504 390.0 2.183 2.444 1.881 0.000 0.000 0.000 3/21504 400.0 2.128 2.383 1.836 0.000 0.000 0.000 3/21504 410.0 2.076 2.326 1.793 0.000 0.000 0.000 3/21504 420.0 2.026 2.272 1.752 0.000 0.000 0.000 3/21504 430.0 1.979 2.220 1.713 0.000 0.000 0.000 3/21504 440.0 1.934 2.170 1.676 0.000 0.000 0.000 3/21504 450.0 1.891 2.123 1.640 0.000 0.000 0.000 3/21504 460.0 1.850 2.077 1.606 0.000 0.000 0.000 3/21504 470.0 1.810 2.034 1.573 0.000 0.000 0.000 3/21504 480.0 1.773 1.992 1.541 0.000 0.000 0.000 3/21504 490.0 1.736 1.952 1.511 0.000 0.000 0.000 3/21504 500.0 1.702 1.914 1.482 0.000 0.000 0.000 3/21504 510.0 1.668 1.877 1.454 0.000 0.000 0.000 3/21504 520.0 1.636 1.841 1.427 0.000 0.000 0.000 3/21504 530.0 1.605 1.807 1.401 0.000 0.000 0.000 3/21504 540.0 1.576 1.774 1.376 0.000 0.000 0.000 3/21504 550.0 1.547 1.742 1.352 0.000 0.000 0.000 3/21504 560.0 1.520 1.712 1.329 0.000 0.000 0.000 3/21504 570.0 1.493 1.682 1.306 0.000 0.000 0.000 3/21504 580.0 1.467 1.654 1.284 0.000 0.000 0.000 3/21504 590.0 1.442 1.626 1.263 0.000 0.000 0.000 3/21504 600.0 1.418 1.599 1.243 0.000 0.000 0.000 3/21504 610.0 1.395 1.574 1.223 0.000 0.000 0.000 3/21504 620.0 1.373 1.549 1.204 0.000 0.000 0.000 3/21504 630.0 1.351 1.524 1.186 0.000 0.000 0.000 3/21504 640.0 1.330 1.501 1.168 0.000 0.000 0.000 3/21504 650.0 1.310 1.478 1.150 0.000 0.000 0.000 3/21504 660.0 1.290 1.456 1.133 0.000 0.000 0.000 3/21504 670.0 1.271 1.435 1.117 0.000 0.000 0.000 3/21504 680.0 1.252 1.414 1.101 0.000 0.000 0.000 3/21504 690.0 1.234 1.394 1.086 0.000 0.000 0.000 3/21504 700.0 1.216 1.374 1.071 0.000 0.000 0.000 3/21504 710.0 1.199 1.355 1.056 0.000 0.000 0.000 3/21504 720.0 1.183 1.336 1.042 0.000 0.000 0.000 3/21504 730.0 1.167 1.318 1.028 0.000 0.000 0.000 3/21504 740.0 1.151 1.301 1.014 0.000 0.000 0.000 3/21504 750.0 1.136 1.284 1.001 0.000 0.000 0.000 3/21504 760.0 1.121 1.267 0.988 0.000 0.000 0.000 3/21504 770.0 1.106 1.251 0.976 0.000 0.000 0.000 3/21504 780.0 1.092 1.235 0.964 0.000 0.000 0.000 3/21504 790.0 1.078 1.219 0.952 0.000 0.000 0.000 3/21504 800.0 1.065 1.204 0.940 0.000 0.000 0.000 3/21504 810.0 1.052 1.190 0.929 0.000 0.000 0.000 3/21504 820.0 1.039 1.175 0.918 0.000 0.000 0.000 3/21504 830.0 1.027 1.161 0.907 0.000 0.000 0.000 3/21504 840.0 1.014 1.148 0.896 0.000 0.000 0.000 3/21504 850.0 1.003 1.134 0.886 0.000 0.000 0.000 3/21504 860.0 0.991 1.121 0.876 0.000 0.000 0.000 3/21504 870.0 0.980 1.109 0.866 0.000 0.000 0.000 3/21504 880.0 0.969 1.096 0.856 0.000 0.000 0.000 3/21504 890.0 0.958 1.084 0.847 0.000 0.000 0.000 3/21504 900.0 0.947 1.072 0.838 0.000 0.000 0.000 3/21504 910.0 0.937 1.060 0.829 0.000 0.000 0.000 3/21504 920.0 0.927 1.049 0.820 0.000 0.000 0.000 3/21504 930.0 0.917 1.038 0.811 0.000 0.000 0.000 3/21504 940.0 0.907 1.027 0.803 0.000 0.000 0.000 3/21504 950.0 0.897 1.016 0.795 0.000 0.000 0.000 3/21504 960.0 0.888 1.006 0.787 0.000 0.000 0.000 3/21504 970.0 0.879 0.995 0.779 0.000 0.000 0.000 3/21504 980.0 0.870 0.985 0.771 0.000 0.000 0.000 3/21504 990.0 0.861 0.976 0.763 0.000 0.000 0.000 3/21504 1000.0 0.853 0.966 0.756 0.000 0.000 0.000 3/21504 Thermal conductivity related properties were written into "kappa-m874.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:50:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|