----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:16:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R32 (155) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.642211803128788 2.680182234171658 2.390345073333330 b -4.642211803128778 2.680182234171658 2.390345073333330 c 0.000000000000005 -5.360364468343325 2.390345073333330 Atomic positions (fractional): *1 B 0.05593543407403 0.94406456592597 0.50000000000000 10.811 2 B 0.94406456592597 0.50000000000000 0.05593543407403 10.811 3 B 0.50000000000000 0.05593543407403 0.94406456592597 10.811 *4 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 *5 O 0.50000000000000 0.90749961649823 0.09250038350177 15.999 6 O 0.09250038350177 0.50000000000000 0.90749961649823 15.999 7 O 0.90749961649823 0.09250038350178 0.50000000000000 15.999 *8 O 0.50000000000000 0.64901690787123 0.35098309212877 15.999 9 O 0.35098309212877 0.50000000000000 0.64901690787123 15.999 10 O 0.64901690787123 0.35098309212877 0.50000000000000 15.999 *11 O 0.63217517783583 0.02902733483759 0.78169533251704 15.999 12 O 0.78169533251704 0.63217517783583 0.02902733483759 15.999 13 O 0.02902733483759 0.78169533251704 0.63217517783583 15.999 14 O 0.97097266516241 0.36782482216417 0.21830466748296 15.999 15 O 0.21830466748296 0.97097266516241 0.36782482216417 15.999 16 O 0.36782482216417 0.21830466748297 0.97097266516241 15.999 *17 Al 0.00000000000000 0.44471515297672 0.55528484702328 26.982 18 Al 0.44471515297672 0.55528484702328 0.00000000000000 26.982 19 Al 0.55528484702328 0.00000000000000 0.44471515297672 26.982 *20 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.284423606257567 0.000000000000000 0.000000000000000 b -4.642211803128784 8.040546702514984 0.000000000000000 c 0.000000000000000 0.000000000000000 7.171035219999999 Atomic positions (fractional): *1 B 0.55593543407403 0.00000000000000 0.50000000000000 10.811 > 1 2 B 0.44406456592597 0.44406456592597 0.50000000000000 10.811 > 2 3 B 0.00000000000000 0.55593543407403 0.50000000000000 10.811 > 3 *4 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 > 4 5 B 0.22260210074070 0.33333333333333 0.83333333333333 10.811 > 1 6 B 0.11073123259263 0.77739789925930 0.83333333333333 10.811 > 2 7 B 0.66666666666667 0.88926876740736 0.83333333333333 10.811 > 3 8 B 0.66666666666667 0.33333333333333 0.83333333333333 10.811 > 4 9 B 0.88926876740736 0.66666666666667 0.16666666666667 10.811 > 1 10 B 0.77739789925930 0.11073123259263 0.16666666666667 10.811 > 2 11 B 0.33333333333333 0.22260210074070 0.16666666666667 10.811 > 3 12 B 0.33333333333333 0.66666666666667 0.16666666666667 10.811 > 4 *13 O 0.00000000000000 0.40749961649823 0.50000000000000 15.999 > 5 14 O 0.59250038350177 0.59250038350177 0.50000000000000 15.999 > 6 15 O 0.40749961649823 0.00000000000000 0.50000000000000 15.999 > 7 *16 O 0.00000000000000 0.14901690787123 0.50000000000000 15.999 > 8 17 O 0.85098309212877 0.85098309212877 0.50000000000000 15.999 > 9 18 O 0.14901690787123 0.00000000000000 0.50000000000000 15.999 > 10 *19 O 0.15120922943901 0.69927061587978 0.48096594839682 15.999 > 11 20 O 0.30072938412022 0.45193861355923 0.48096594839682 15.999 > 12 21 O 0.54806138644077 0.84879077056099 0.48096594839682 15.999 > 13 22 O 0.45193861355923 0.30072938412022 0.51903405160318 15.999 > 14 23 O 0.69927061587978 0.15120922943901 0.51903405160318 15.999 > 15 24 O 0.84879077056099 0.54806138644077 0.51903405160318 15.999 > 16 25 O 0.66666666666667 0.74083294983156 0.83333333333333 15.999 > 5 26 O 0.25916705016844 0.92583371683511 0.83333333333333 15.999 > 6 27 O 0.07416628316489 0.33333333333333 0.83333333333333 15.999 > 7 28 O 0.66666666666667 0.48235024120456 0.83333333333333 15.999 > 8 29 O 0.51764975879544 0.18431642546210 0.83333333333333 15.999 > 9 30 O 0.81568357453790 0.33333333333333 0.83333333333333 15.999 > 10 31 O 0.81787589610568 0.03260394921312 0.81429928173015 15.999 > 11 32 O 0.96739605078688 0.78527194689256 0.81429928173015 15.999 > 12 33 O 0.21472805310744 0.18212410389432 0.81429928173015 15.999 > 13 34 O 0.11860528022590 0.63406271745355 0.85236738493651 15.999 > 14 35 O 0.36593728254645 0.48454256277235 0.85236738493651 15.999 > 15 36 O 0.51545743722765 0.88139471977410 0.85236738493651 15.999 > 16 37 O 0.33333333333333 0.07416628316489 0.16666666666667 15.999 > 5 38 O 0.92583371683511 0.25916705016844 0.16666666666667 15.999 > 6 39 O 0.74083294983156 0.66666666666667 0.16666666666667 15.999 > 7 40 O 0.33333333333333 0.81568357453790 0.16666666666667 15.999 > 8 41 O 0.18431642546210 0.51764975879544 0.16666666666667 15.999 > 9 42 O 0.48235024120456 0.66666666666667 0.16666666666667 15.999 > 10 43 O 0.48454256277235 0.36593728254645 0.14763261506349 15.999 > 11 44 O 0.63406271745355 0.11860528022590 0.14763261506349 15.999 > 12 45 O 0.88139471977410 0.51545743722765 0.14763261506349 15.999 > 13 46 O 0.78527194689256 0.96739605078688 0.18570071826985 15.999 > 14 47 O 0.03260394921312 0.81787589610568 0.18570071826985 15.999 > 15 48 O 0.18212410389432 0.21472805310744 0.18570071826985 15.999 > 16 *49 Al 0.33333333333333 0.11138181964339 0.66666666666667 26.982 > 17 50 Al 0.77804848631005 0.66666666666667 0.66666666666667 26.982 > 18 51 Al 0.88861818035661 0.22195151368995 0.66666666666667 26.982 > 19 52 Al 0.00000000000000 0.44471515297672 0.00000000000000 26.982 > 17 53 Al 0.44471515297672 0.00000000000000 0.00000000000000 26.982 > 18 54 Al 0.55528484702328 0.55528484702328 0.00000000000000 26.982 > 19 55 Al 0.66666666666667 0.77804848631005 0.33333333333333 26.982 > 17 56 Al 0.11138181964339 0.33333333333333 0.33333333333333 26.982 > 18 57 Al 0.22195151368995 0.88861818035661 0.33333333333333 26.982 > 19 *58 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 20 59 Tm 0.66666666666667 0.33333333333333 0.33333333333333 168.934 > 20 60 Tm 0.33333333333333 0.66666666666667 0.66666666666667 168.934 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.284423606257567 0.000000000000000 0.000000000000000 b -4.642211803128784 8.040546702514984 0.000000000000000 c 0.000000000000000 0.000000000000000 14.342070439999999 Atomic positions (fractional): *1 B 0.55593543407403 0.00000000000000 0.25000000000000 10.811 > 1 2 B 0.55593543407403 0.00000000000000 0.75000000000000 10.811 > 1 3 B 0.44406456592597 0.44406456592597 0.25000000000000 10.811 > 2 4 B 0.44406456592597 0.44406456592597 0.75000000000000 10.811 > 2 5 B 0.00000000000000 0.55593543407403 0.25000000000000 10.811 > 3 6 B 0.00000000000000 0.55593543407403 0.75000000000000 10.811 > 3 *7 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 4 8 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 4 9 B 0.22260210074070 0.33333333333333 0.41666666666667 10.811 > 1 10 B 0.22260210074070 0.33333333333333 0.91666666666667 10.811 > 1 11 B 0.11073123259263 0.77739789925930 0.41666666666667 10.811 > 2 12 B 0.11073123259263 0.77739789925930 0.91666666666667 10.811 > 2 13 B 0.66666666666667 0.88926876740736 0.41666666666667 10.811 > 3 14 B 0.66666666666667 0.88926876740736 0.91666666666667 10.811 > 3 15 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 4 16 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 4 17 B 0.88926876740736 0.66666666666667 0.08333333333333 10.811 > 1 18 B 0.88926876740736 0.66666666666667 0.58333333333333 10.811 > 1 19 B 0.77739789925930 0.11073123259263 0.08333333333333 10.811 > 2 20 B 0.77739789925930 0.11073123259263 0.58333333333333 10.811 > 2 21 B 0.33333333333333 0.22260210074070 0.08333333333333 10.811 > 3 22 B 0.33333333333333 0.22260210074070 0.58333333333333 10.811 > 3 23 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 4 24 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 4 *25 O 0.00000000000000 0.40749961649823 0.25000000000000 15.999 > 5 26 O 0.00000000000000 0.40749961649823 0.75000000000000 15.999 > 5 27 O 0.59250038350177 0.59250038350177 0.25000000000000 15.999 > 6 28 O 0.59250038350177 0.59250038350177 0.75000000000000 15.999 > 6 29 O 0.40749961649823 0.00000000000000 0.25000000000000 15.999 > 7 30 O 0.40749961649823 0.00000000000000 0.75000000000000 15.999 > 7 *31 O 0.00000000000000 0.14901690787123 0.25000000000000 15.999 > 8 32 O 0.00000000000000 0.14901690787123 0.75000000000000 15.999 > 8 33 O 0.85098309212877 0.85098309212877 0.25000000000000 15.999 > 9 34 O 0.85098309212877 0.85098309212877 0.75000000000000 15.999 > 9 35 O 0.14901690787123 0.00000000000000 0.25000000000000 15.999 > 10 36 O 0.14901690787123 0.00000000000000 0.75000000000000 15.999 > 10 *37 O 0.15120922943901 0.69927061587978 0.24048297419841 15.999 > 11 38 O 0.15120922943901 0.69927061587978 0.74048297419841 15.999 > 11 39 O 0.30072938412022 0.45193861355923 0.24048297419841 15.999 > 12 40 O 0.30072938412022 0.45193861355923 0.74048297419841 15.999 > 12 41 O 0.54806138644077 0.84879077056099 0.24048297419841 15.999 > 13 42 O 0.54806138644077 0.84879077056099 0.74048297419841 15.999 > 13 43 O 0.45193861355923 0.30072938412022 0.25951702580159 15.999 > 14 44 O 0.45193861355923 0.30072938412022 0.75951702580159 15.999 > 14 45 O 0.69927061587978 0.15120922943901 0.25951702580159 15.999 > 15 46 O 0.69927061587978 0.15120922943901 0.75951702580159 15.999 > 15 47 O 0.84879077056099 0.54806138644077 0.25951702580159 15.999 > 16 48 O 0.84879077056099 0.54806138644077 0.75951702580159 15.999 > 16 49 O 0.66666666666667 0.74083294983156 0.41666666666667 15.999 > 5 50 O 0.66666666666667 0.74083294983156 0.91666666666667 15.999 > 5 51 O 0.25916705016844 0.92583371683511 0.41666666666667 15.999 > 6 52 O 0.25916705016844 0.92583371683511 0.91666666666667 15.999 > 6 53 O 0.07416628316489 0.33333333333333 0.41666666666667 15.999 > 7 54 O 0.07416628316489 0.33333333333333 0.91666666666667 15.999 > 7 55 O 0.66666666666667 0.48235024120456 0.41666666666667 15.999 > 8 56 O 0.66666666666667 0.48235024120456 0.91666666666667 15.999 > 8 57 O 0.51764975879544 0.18431642546210 0.41666666666667 15.999 > 9 58 O 0.51764975879544 0.18431642546210 0.91666666666667 15.999 > 9 59 O 0.81568357453790 0.33333333333333 0.41666666666667 15.999 > 10 60 O 0.81568357453790 0.33333333333333 0.91666666666667 15.999 > 10 61 O 0.81787589610568 0.03260394921312 0.40714964086508 15.999 > 11 62 O 0.81787589610568 0.03260394921312 0.90714964086508 15.999 > 11 63 O 0.96739605078688 0.78527194689256 0.40714964086508 15.999 > 12 64 O 0.96739605078688 0.78527194689256 0.90714964086508 15.999 > 12 65 O 0.21472805310744 0.18212410389432 0.40714964086508 15.999 > 13 66 O 0.21472805310744 0.18212410389432 0.90714964086508 15.999 > 13 67 O 0.11860528022590 0.63406271745355 0.42618369246826 15.999 > 14 68 O 0.11860528022590 0.63406271745355 0.92618369246826 15.999 > 14 69 O 0.36593728254645 0.48454256277235 0.42618369246826 15.999 > 15 70 O 0.36593728254645 0.48454256277235 0.92618369246826 15.999 > 15 71 O 0.51545743722765 0.88139471977410 0.42618369246826 15.999 > 16 72 O 0.51545743722765 0.88139471977410 0.92618369246826 15.999 > 16 73 O 0.33333333333333 0.07416628316489 0.08333333333333 15.999 > 5 74 O 0.33333333333333 0.07416628316489 0.58333333333333 15.999 > 5 75 O 0.92583371683511 0.25916705016844 0.08333333333333 15.999 > 6 76 O 0.92583371683511 0.25916705016844 0.58333333333333 15.999 > 6 77 O 0.74083294983156 0.66666666666667 0.08333333333333 15.999 > 7 78 O 0.74083294983156 0.66666666666667 0.58333333333333 15.999 > 7 79 O 0.33333333333333 0.81568357453790 0.08333333333333 15.999 > 8 80 O 0.33333333333333 0.81568357453790 0.58333333333333 15.999 > 8 81 O 0.18431642546210 0.51764975879544 0.08333333333333 15.999 > 9 82 O 0.18431642546210 0.51764975879544 0.58333333333333 15.999 > 9 83 O 0.48235024120456 0.66666666666667 0.08333333333333 15.999 > 10 84 O 0.48235024120456 0.66666666666667 0.58333333333333 15.999 > 10 85 O 0.48454256277235 0.36593728254645 0.07381630753174 15.999 > 11 86 O 0.48454256277235 0.36593728254645 0.57381630753174 15.999 > 11 87 O 0.63406271745355 0.11860528022590 0.07381630753174 15.999 > 12 88 O 0.63406271745355 0.11860528022590 0.57381630753174 15.999 > 12 89 O 0.88139471977410 0.51545743722765 0.07381630753174 15.999 > 13 90 O 0.88139471977410 0.51545743722765 0.57381630753174 15.999 > 13 91 O 0.78527194689256 0.96739605078688 0.09285035913492 15.999 > 14 92 O 0.78527194689256 0.96739605078688 0.59285035913492 15.999 > 14 93 O 0.03260394921312 0.81787589610568 0.09285035913492 15.999 > 15 94 O 0.03260394921312 0.81787589610568 0.59285035913492 15.999 > 15 95 O 0.18212410389432 0.21472805310744 0.09285035913492 15.999 > 16 96 O 0.18212410389432 0.21472805310744 0.59285035913492 15.999 > 16 *97 Al 0.33333333333333 0.11138181964339 0.33333333333333 26.982 > 17 98 Al 0.33333333333333 0.11138181964339 0.83333333333333 26.982 > 17 99 Al 0.77804848631005 0.66666666666667 0.33333333333333 26.982 > 18 100 Al 0.77804848631005 0.66666666666667 0.83333333333333 26.982 > 18 101 Al 0.88861818035661 0.22195151368995 0.33333333333333 26.982 > 19 102 Al 0.88861818035661 0.22195151368995 0.83333333333333 26.982 > 19 103 Al 0.00000000000000 0.44471515297672 0.00000000000000 26.982 > 17 104 Al 0.00000000000000 0.44471515297672 0.50000000000000 26.982 > 17 105 Al 0.44471515297672 0.00000000000000 0.00000000000000 26.982 > 18 106 Al 0.44471515297672 0.00000000000000 0.50000000000000 26.982 > 18 107 Al 0.55528484702328 0.55528484702328 0.00000000000000 26.982 > 19 108 Al 0.55528484702328 0.55528484702328 0.50000000000000 26.982 > 19 109 Al 0.66666666666667 0.77804848631005 0.16666666666667 26.982 > 17 110 Al 0.66666666666667 0.77804848631005 0.66666666666667 26.982 > 17 111 Al 0.11138181964339 0.33333333333333 0.16666666666667 26.982 > 18 112 Al 0.11138181964339 0.33333333333333 0.66666666666667 26.982 > 18 113 Al 0.22195151368995 0.88861818035661 0.16666666666667 26.982 > 19 114 Al 0.22195151368995 0.88861818035661 0.66666666666667 26.982 > 19 *115 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 20 116 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 20 117 Tm 0.66666666666667 0.33333333333333 0.16666666666667 168.934 > 20 118 Tm 0.66666666666667 0.33333333333333 0.66666666666667 168.934 > 20 119 Tm 0.33333333333333 0.66666666666667 0.33333333333333 168.934 > 20 120 Tm 0.33333333333333 0.66666666666667 0.83333333333333 168.934 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3812349 -0.0000000 0.0000000 0.0000000 3.3812349 0.0000000 0.0000000 0.0000000 3.0876187 -------------------------- Born effective charges -------------------------- 1 B 2.4691051 -0.0000000 -0.0000000 -0.0000000 2.9254239 0.0959165 -0.0000000 -0.0894558 1.2136943 2 B 2.8113442 -0.1975918 0.0830661 -0.1975918 2.5831848 -0.0479583 -0.0774710 0.0447279 1.2136943 3 B 2.8113442 0.1975918 -0.0830661 0.1975918 2.5831848 -0.0479583 0.0774710 0.0447279 1.2136943 4 B 2.8273214 -0.0000000 -0.0000000 -0.0000000 2.8273214 -0.0000000 -0.0000000 -0.0000000 1.1159312 5 O -1.8336130 0.3867280 0.1018254 0.3867280 -2.2801681 0.0587889 0.0545895 0.0315173 -1.4101575 6 O -1.8336130 -0.3867280 -0.1018254 -0.3867280 -2.2801681 0.0587889 -0.0545895 0.0315173 -1.4101575 7 O -2.5034456 -0.0000000 0.0000000 -0.0000000 -1.6103355 -0.1175778 -0.0000000 -0.0630346 -1.4101575 8 O -1.7080215 0.5015687 0.2218516 0.5015687 -2.2871832 0.1280861 0.1776211 0.1025496 -1.4347263 9 O -1.7080215 -0.5015687 -0.2218516 -0.5015687 -2.2871832 0.1280861 -0.1776211 0.1025496 -1.4347263 10 O -2.5767640 -0.0000000 0.0000000 -0.0000000 -1.4184406 -0.2561722 -0.0000000 -0.2050992 -1.4347263 11 O -1.9144823 -0.4122786 -0.2395456 -0.3998041 -2.1526181 0.2389874 -0.2617904 0.2279030 -1.5534449 12 O -2.4447262 0.0936676 -0.0871963 0.1061421 -1.6223741 -0.3269463 -0.0664745 -0.3406686 -1.5534449 13 O -1.7414420 0.2998993 0.3267419 0.3123737 -2.3256583 0.0879589 0.3282650 0.1127657 -1.5534449 14 O -1.9144823 0.4122786 0.2395456 0.3998041 -2.1526181 0.2389874 0.2617904 0.2279030 -1.5534449 15 O -1.7414420 -0.2998993 -0.3267419 -0.3123737 -2.3256583 0.0879589 -0.3282650 0.1127657 -1.5534449 16 O -2.4447262 -0.0936676 0.0871963 -0.1061421 -1.6223741 -0.3269463 0.0664745 -0.3406686 -1.5534449 17 Al 3.2334018 0.0377717 -0.0494526 0.0377717 3.1897868 -0.0285515 -0.0701160 -0.0404815 3.1437645 18 Al 3.1679793 -0.0000000 -0.0000000 -0.0000000 3.2552093 0.0571030 -0.0000000 0.0809630 3.1437645 19 Al 3.2334018 -0.0377717 0.0494526 -0.0377717 3.1897868 -0.0285515 0.0701160 -0.0404815 3.1437645 20 Tm 3.8108822 -0.0000000 -0.0000000 -0.0000000 3.8108822 -0.0000000 -0.0000000 -0.0000000 3.6670130 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 13920/13920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 917 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 866 Use submatrix version of eigh solver. (1) Block: 500 / 866 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 866 / 866 (1) 355 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 7 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 792 / 792 (1) 282 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 7 --- Block_size: 248 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1877), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (248, 241), data: True |-- (792, 780), data: False |-- (792, 10), data: (792, 22) @ (22, 10) |-- (292, 282), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (866, 852), data: False |-- (866, 11), data: (866, 25) @ (25, 11) |-- (366, 355), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 400 - Time: 3.286 Solver_block: 200 / 400 - Time: 3.322 Solver_block: 300 / 400 - Time: 3.323 Solver_block: 400 / 400 - Time: 3.322 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.304 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 13920/13920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 917 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 866 Use submatrix version of eigh solver. (1) Block: 500 / 866 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 866 / 866 (1) 355 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 7 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 792 / 792 (1) 282 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 7 --- Block_size: 248 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1877), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (248, 241), data: True |-- (792, 780), data: False |-- (792, 10), data: (792, 22) @ (22, 10) |-- (292, 282), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (866, 852), data: False |-- (866, 11), data: (866, 25) @ (25, 11) |-- (366, 355), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (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 00:17:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:17:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R32 (155) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.642211803128788 2.680182234171658 2.390345073333330 b -4.642211803128778 2.680182234171658 2.390345073333330 c 0.000000000000005 -5.360364468343325 2.390345073333330 Atomic positions (fractional): 1 B 0.05593543407403 0.94406456592597 0.50000000000000 10.811 2 B 0.94406456592597 0.50000000000000 0.05593543407403 10.811 3 B 0.50000000000000 0.05593543407403 0.94406456592597 10.811 4 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 5 O 0.50000000000000 0.90749961649823 0.09250038350177 15.999 6 O 0.09250038350177 0.50000000000000 0.90749961649823 15.999 7 O 0.90749961649823 0.09250038350178 0.50000000000000 15.999 8 O 0.50000000000000 0.64901690787123 0.35098309212877 15.999 9 O 0.35098309212877 0.50000000000000 0.64901690787123 15.999 10 O 0.64901690787123 0.35098309212877 0.50000000000000 15.999 11 O 0.63217517783583 0.02902733483759 0.78169533251704 15.999 12 O 0.78169533251704 0.63217517783583 0.02902733483759 15.999 13 O 0.02902733483759 0.78169533251704 0.63217517783583 15.999 14 O 0.97097266516241 0.36782482216417 0.21830466748296 15.999 15 O 0.21830466748296 0.97097266516241 0.36782482216417 15.999 16 O 0.36782482216417 0.21830466748297 0.97097266516241 15.999 17 Al 0.00000000000000 0.44471515297672 0.55528484702328 26.982 18 Al 0.44471515297672 0.55528484702328 0.00000000000000 26.982 19 Al 0.55528484702328 0.00000000000000 0.44471515297672 26.982 20 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.284423606257567 0.000000000000000 0.000000000000000 b -4.642211803128784 8.040546702514984 0.000000000000000 c 0.000000000000000 0.000000000000000 14.342070439999999 Atomic positions (fractional): 1 B 0.55593543407403 0.00000000000000 0.25000000000000 10.811 > 1 2 B 0.55593543407403 0.00000000000000 0.75000000000000 10.811 > 1 3 B 0.44406456592597 0.44406456592597 0.25000000000000 10.811 > 3 4 B 0.44406456592597 0.44406456592597 0.75000000000000 10.811 > 3 5 B 0.00000000000000 0.55593543407403 0.25000000000000 10.811 > 5 6 B 0.00000000000000 0.55593543407403 0.75000000000000 10.811 > 5 7 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 7 8 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 7 9 B 0.22260210074070 0.33333333333333 0.41666666666667 10.811 > 1 10 B 0.22260210074070 0.33333333333333 0.91666666666667 10.811 > 1 11 B 0.11073123259263 0.77739789925930 0.41666666666667 10.811 > 3 12 B 0.11073123259263 0.77739789925930 0.91666666666667 10.811 > 3 13 B 0.66666666666667 0.88926876740736 0.41666666666667 10.811 > 5 14 B 0.66666666666667 0.88926876740736 0.91666666666667 10.811 > 5 15 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 7 16 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 7 17 B 0.88926876740736 0.66666666666667 0.08333333333333 10.811 > 1 18 B 0.88926876740736 0.66666666666667 0.58333333333333 10.811 > 1 19 B 0.77739789925930 0.11073123259263 0.08333333333333 10.811 > 3 20 B 0.77739789925930 0.11073123259263 0.58333333333333 10.811 > 3 21 B 0.33333333333333 0.22260210074070 0.08333333333333 10.811 > 5 22 B 0.33333333333333 0.22260210074070 0.58333333333333 10.811 > 5 23 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 7 24 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 7 25 O 0.00000000000000 0.40749961649823 0.25000000000000 15.999 > 25 26 O 0.00000000000000 0.40749961649823 0.75000000000000 15.999 > 25 27 O 0.59250038350177 0.59250038350177 0.25000000000000 15.999 > 27 28 O 0.59250038350177 0.59250038350177 0.75000000000000 15.999 > 27 29 O 0.40749961649823 0.00000000000000 0.25000000000000 15.999 > 29 30 O 0.40749961649823 0.00000000000000 0.75000000000000 15.999 > 29 31 O 0.00000000000000 0.14901690787123 0.25000000000000 15.999 > 31 32 O 0.00000000000000 0.14901690787123 0.75000000000000 15.999 > 31 33 O 0.85098309212877 0.85098309212877 0.25000000000000 15.999 > 33 34 O 0.85098309212877 0.85098309212877 0.75000000000000 15.999 > 33 35 O 0.14901690787123 0.00000000000000 0.25000000000000 15.999 > 35 36 O 0.14901690787123 0.00000000000000 0.75000000000000 15.999 > 35 37 O 0.15120922943901 0.69927061587978 0.24048297419841 15.999 > 37 38 O 0.15120922943901 0.69927061587978 0.74048297419841 15.999 > 37 39 O 0.30072938412022 0.45193861355923 0.24048297419841 15.999 > 39 40 O 0.30072938412022 0.45193861355923 0.74048297419841 15.999 > 39 41 O 0.54806138644077 0.84879077056099 0.24048297419841 15.999 > 41 42 O 0.54806138644077 0.84879077056099 0.74048297419841 15.999 > 41 43 O 0.45193861355923 0.30072938412022 0.25951702580159 15.999 > 43 44 O 0.45193861355923 0.30072938412022 0.75951702580159 15.999 > 43 45 O 0.69927061587978 0.15120922943901 0.25951702580159 15.999 > 45 46 O 0.69927061587978 0.15120922943901 0.75951702580159 15.999 > 45 47 O 0.84879077056099 0.54806138644077 0.25951702580159 15.999 > 47 48 O 0.84879077056099 0.54806138644077 0.75951702580159 15.999 > 47 49 O 0.66666666666667 0.74083294983156 0.41666666666667 15.999 > 25 50 O 0.66666666666667 0.74083294983156 0.91666666666667 15.999 > 25 51 O 0.25916705016844 0.92583371683511 0.41666666666667 15.999 > 27 52 O 0.25916705016844 0.92583371683511 0.91666666666667 15.999 > 27 53 O 0.07416628316489 0.33333333333333 0.41666666666667 15.999 > 29 54 O 0.07416628316489 0.33333333333333 0.91666666666667 15.999 > 29 55 O 0.66666666666667 0.48235024120456 0.41666666666667 15.999 > 31 56 O 0.66666666666667 0.48235024120456 0.91666666666667 15.999 > 31 57 O 0.51764975879544 0.18431642546210 0.41666666666667 15.999 > 33 58 O 0.51764975879544 0.18431642546210 0.91666666666667 15.999 > 33 59 O 0.81568357453790 0.33333333333333 0.41666666666667 15.999 > 35 60 O 0.81568357453790 0.33333333333333 0.91666666666667 15.999 > 35 61 O 0.81787589610568 0.03260394921312 0.40714964086508 15.999 > 37 62 O 0.81787589610568 0.03260394921312 0.90714964086508 15.999 > 37 63 O 0.96739605078688 0.78527194689256 0.40714964086508 15.999 > 39 64 O 0.96739605078688 0.78527194689256 0.90714964086508 15.999 > 39 65 O 0.21472805310744 0.18212410389432 0.40714964086508 15.999 > 41 66 O 0.21472805310744 0.18212410389432 0.90714964086508 15.999 > 41 67 O 0.11860528022590 0.63406271745355 0.42618369246826 15.999 > 43 68 O 0.11860528022590 0.63406271745355 0.92618369246826 15.999 > 43 69 O 0.36593728254645 0.48454256277235 0.42618369246826 15.999 > 45 70 O 0.36593728254645 0.48454256277235 0.92618369246826 15.999 > 45 71 O 0.51545743722765 0.88139471977410 0.42618369246826 15.999 > 47 72 O 0.51545743722765 0.88139471977410 0.92618369246826 15.999 > 47 73 O 0.33333333333333 0.07416628316489 0.08333333333333 15.999 > 25 74 O 0.33333333333333 0.07416628316489 0.58333333333333 15.999 > 25 75 O 0.92583371683511 0.25916705016844 0.08333333333333 15.999 > 27 76 O 0.92583371683511 0.25916705016844 0.58333333333333 15.999 > 27 77 O 0.74083294983156 0.66666666666667 0.08333333333333 15.999 > 29 78 O 0.74083294983156 0.66666666666667 0.58333333333333 15.999 > 29 79 O 0.33333333333333 0.81568357453790 0.08333333333333 15.999 > 31 80 O 0.33333333333333 0.81568357453790 0.58333333333333 15.999 > 31 81 O 0.18431642546210 0.51764975879544 0.08333333333333 15.999 > 33 82 O 0.18431642546210 0.51764975879544 0.58333333333333 15.999 > 33 83 O 0.48235024120456 0.66666666666667 0.08333333333333 15.999 > 35 84 O 0.48235024120456 0.66666666666667 0.58333333333333 15.999 > 35 85 O 0.48454256277235 0.36593728254645 0.07381630753174 15.999 > 37 86 O 0.48454256277235 0.36593728254645 0.57381630753174 15.999 > 37 87 O 0.63406271745355 0.11860528022590 0.07381630753174 15.999 > 39 88 O 0.63406271745355 0.11860528022590 0.57381630753174 15.999 > 39 89 O 0.88139471977410 0.51545743722765 0.07381630753174 15.999 > 41 90 O 0.88139471977410 0.51545743722765 0.57381630753174 15.999 > 41 91 O 0.78527194689256 0.96739605078688 0.09285035913492 15.999 > 43 92 O 0.78527194689256 0.96739605078688 0.59285035913492 15.999 > 43 93 O 0.03260394921312 0.81787589610568 0.09285035913492 15.999 > 45 94 O 0.03260394921312 0.81787589610568 0.59285035913492 15.999 > 45 95 O 0.18212410389432 0.21472805310744 0.09285035913492 15.999 > 47 96 O 0.18212410389432 0.21472805310744 0.59285035913492 15.999 > 47 97 Al 0.33333333333333 0.11138181964339 0.33333333333333 26.982 > 97 98 Al 0.33333333333333 0.11138181964339 0.83333333333333 26.982 > 97 99 Al 0.77804848631005 0.66666666666667 0.33333333333333 26.982 > 99 100 Al 0.77804848631005 0.66666666666667 0.83333333333333 26.982 > 99 101 Al 0.88861818035661 0.22195151368995 0.33333333333333 26.982 > 101 102 Al 0.88861818035661 0.22195151368995 0.83333333333333 26.982 > 101 103 Al 0.00000000000000 0.44471515297672 0.00000000000000 26.982 > 97 104 Al 0.00000000000000 0.44471515297672 0.50000000000000 26.982 > 97 105 Al 0.44471515297672 0.00000000000000 0.00000000000000 26.982 > 99 106 Al 0.44471515297672 0.00000000000000 0.50000000000000 26.982 > 99 107 Al 0.55528484702328 0.55528484702328 0.00000000000000 26.982 > 101 108 Al 0.55528484702328 0.55528484702328 0.50000000000000 26.982 > 101 109 Al 0.66666666666667 0.77804848631005 0.16666666666667 26.982 > 97 110 Al 0.66666666666667 0.77804848631005 0.66666666666667 26.982 > 97 111 Al 0.11138181964339 0.33333333333333 0.16666666666667 26.982 > 99 112 Al 0.11138181964339 0.33333333333333 0.66666666666667 26.982 > 99 113 Al 0.22195151368995 0.88861818035661 0.16666666666667 26.982 > 101 114 Al 0.22195151368995 0.88861818035661 0.66666666666667 26.982 > 101 115 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 115 116 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 115 117 Tm 0.66666666666667 0.33333333333333 0.16666666666667 168.934 > 115 118 Tm 0.66666666666667 0.33333333333333 0.66666666666667 168.934 > 115 119 Tm 0.33333333333333 0.66666666666667 0.33333333333333 168.934 > 115 120 Tm 0.33333333333333 0.66666666666667 0.83333333333333 168.934 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3812349 -0.0000000 0.0000000 0.0000000 3.3812349 0.0000000 0.0000000 0.0000000 3.0876187 -------------------------- Born effective charges -------------------------- 1 B 2.4691051 -0.0000000 -0.0000000 -0.0000000 2.9254239 0.0959165 -0.0000000 -0.0894558 1.2136943 2 B 2.8113442 -0.1975918 0.0830661 -0.1975918 2.5831848 -0.0479583 -0.0774710 0.0447279 1.2136943 3 B 2.8113442 0.1975918 -0.0830661 0.1975918 2.5831848 -0.0479583 0.0774710 0.0447279 1.2136943 4 B 2.8273214 -0.0000000 -0.0000000 -0.0000000 2.8273214 -0.0000000 -0.0000000 -0.0000000 1.1159312 5 O -1.8336130 0.3867280 0.1018254 0.3867280 -2.2801681 0.0587889 0.0545895 0.0315173 -1.4101575 6 O -1.8336130 -0.3867280 -0.1018254 -0.3867280 -2.2801681 0.0587889 -0.0545895 0.0315173 -1.4101575 7 O -2.5034456 -0.0000000 0.0000000 -0.0000000 -1.6103355 -0.1175778 -0.0000000 -0.0630346 -1.4101575 8 O -1.7080215 0.5015687 0.2218516 0.5015687 -2.2871832 0.1280861 0.1776211 0.1025496 -1.4347263 9 O -1.7080215 -0.5015687 -0.2218516 -0.5015687 -2.2871832 0.1280861 -0.1776211 0.1025496 -1.4347263 10 O -2.5767640 -0.0000000 0.0000000 -0.0000000 -1.4184406 -0.2561722 -0.0000000 -0.2050992 -1.4347263 11 O -1.9144823 -0.4122786 -0.2395456 -0.3998041 -2.1526181 0.2389874 -0.2617904 0.2279030 -1.5534449 12 O -2.4447262 0.0936676 -0.0871963 0.1061421 -1.6223741 -0.3269463 -0.0664745 -0.3406686 -1.5534449 13 O -1.7414420 0.2998993 0.3267419 0.3123737 -2.3256583 0.0879589 0.3282650 0.1127657 -1.5534449 14 O -1.9144823 0.4122786 0.2395456 0.3998041 -2.1526181 0.2389874 0.2617904 0.2279030 -1.5534449 15 O -1.7414420 -0.2998993 -0.3267419 -0.3123737 -2.3256583 0.0879589 -0.3282650 0.1127657 -1.5534449 16 O -2.4447262 -0.0936676 0.0871963 -0.1061421 -1.6223741 -0.3269463 0.0664745 -0.3406686 -1.5534449 17 Al 3.2334018 0.0377717 -0.0494526 0.0377717 3.1897868 -0.0285515 -0.0701160 -0.0404815 3.1437645 18 Al 3.1679793 -0.0000000 -0.0000000 -0.0000000 3.2552093 0.0571030 -0.0000000 0.0809630 3.1437645 19 Al 3.2334018 -0.0377717 0.0494526 -0.0377717 3.1897868 -0.0285515 0.0701160 -0.0404815 3.1437645 20 Tm 3.8108822 -0.0000000 -0.0000000 -0.0000000 3.8108822 -0.0000000 -0.0000000 -0.0000000 3.6670130 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 115, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 00:17:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:17:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R32 (155) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.642211803128788 2.680182234171658 2.390345073333330 b -4.642211803128778 2.680182234171658 2.390345073333330 c 0.000000000000005 -5.360364468343325 2.390345073333330 Atomic positions (fractional): 1 B 0.05593543407403 0.94406456592597 0.50000000000000 10.811 2 B 0.94406456592597 0.50000000000000 0.05593543407403 10.811 3 B 0.50000000000000 0.05593543407403 0.94406456592597 10.811 4 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 5 O 0.50000000000000 0.90749961649823 0.09250038350177 15.999 6 O 0.09250038350177 0.50000000000000 0.90749961649823 15.999 7 O 0.90749961649823 0.09250038350178 0.50000000000000 15.999 8 O 0.50000000000000 0.64901690787123 0.35098309212877 15.999 9 O 0.35098309212877 0.50000000000000 0.64901690787123 15.999 10 O 0.64901690787123 0.35098309212877 0.50000000000000 15.999 11 O 0.63217517783583 0.02902733483759 0.78169533251704 15.999 12 O 0.78169533251704 0.63217517783583 0.02902733483759 15.999 13 O 0.02902733483759 0.78169533251704 0.63217517783583 15.999 14 O 0.97097266516241 0.36782482216417 0.21830466748296 15.999 15 O 0.21830466748296 0.97097266516241 0.36782482216417 15.999 16 O 0.36782482216417 0.21830466748297 0.97097266516241 15.999 17 Al 0.00000000000000 0.44471515297672 0.55528484702328 26.982 18 Al 0.44471515297672 0.55528484702328 0.00000000000000 26.982 19 Al 0.55528484702328 0.00000000000000 0.44471515297672 26.982 20 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.284423606257567 0.000000000000000 0.000000000000000 b -4.642211803128784 8.040546702514984 0.000000000000000 c 0.000000000000000 0.000000000000000 14.342070439999999 Atomic positions (fractional): 1 B 0.55593543407403 0.00000000000000 0.25000000000000 10.811 > 1 2 B 0.55593543407403 0.00000000000000 0.75000000000000 10.811 > 1 3 B 0.44406456592597 0.44406456592597 0.25000000000000 10.811 > 3 4 B 0.44406456592597 0.44406456592597 0.75000000000000 10.811 > 3 5 B 0.00000000000000 0.55593543407403 0.25000000000000 10.811 > 5 6 B 0.00000000000000 0.55593543407403 0.75000000000000 10.811 > 5 7 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 7 8 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 7 9 B 0.22260210074070 0.33333333333333 0.41666666666667 10.811 > 1 10 B 0.22260210074070 0.33333333333333 0.91666666666667 10.811 > 1 11 B 0.11073123259263 0.77739789925930 0.41666666666667 10.811 > 3 12 B 0.11073123259263 0.77739789925930 0.91666666666667 10.811 > 3 13 B 0.66666666666667 0.88926876740736 0.41666666666667 10.811 > 5 14 B 0.66666666666667 0.88926876740736 0.91666666666667 10.811 > 5 15 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 7 16 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 7 17 B 0.88926876740736 0.66666666666667 0.08333333333333 10.811 > 1 18 B 0.88926876740736 0.66666666666667 0.58333333333333 10.811 > 1 19 B 0.77739789925930 0.11073123259263 0.08333333333333 10.811 > 3 20 B 0.77739789925930 0.11073123259263 0.58333333333333 10.811 > 3 21 B 0.33333333333333 0.22260210074070 0.08333333333333 10.811 > 5 22 B 0.33333333333333 0.22260210074070 0.58333333333333 10.811 > 5 23 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 7 24 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 7 25 O 0.00000000000000 0.40749961649823 0.25000000000000 15.999 > 25 26 O 0.00000000000000 0.40749961649823 0.75000000000000 15.999 > 25 27 O 0.59250038350177 0.59250038350177 0.25000000000000 15.999 > 27 28 O 0.59250038350177 0.59250038350177 0.75000000000000 15.999 > 27 29 O 0.40749961649823 0.00000000000000 0.25000000000000 15.999 > 29 30 O 0.40749961649823 0.00000000000000 0.75000000000000 15.999 > 29 31 O 0.00000000000000 0.14901690787123 0.25000000000000 15.999 > 31 32 O 0.00000000000000 0.14901690787123 0.75000000000000 15.999 > 31 33 O 0.85098309212877 0.85098309212877 0.25000000000000 15.999 > 33 34 O 0.85098309212877 0.85098309212877 0.75000000000000 15.999 > 33 35 O 0.14901690787123 0.00000000000000 0.25000000000000 15.999 > 35 36 O 0.14901690787123 0.00000000000000 0.75000000000000 15.999 > 35 37 O 0.15120922943901 0.69927061587978 0.24048297419841 15.999 > 37 38 O 0.15120922943901 0.69927061587978 0.74048297419841 15.999 > 37 39 O 0.30072938412022 0.45193861355923 0.24048297419841 15.999 > 39 40 O 0.30072938412022 0.45193861355923 0.74048297419841 15.999 > 39 41 O 0.54806138644077 0.84879077056099 0.24048297419841 15.999 > 41 42 O 0.54806138644077 0.84879077056099 0.74048297419841 15.999 > 41 43 O 0.45193861355923 0.30072938412022 0.25951702580159 15.999 > 43 44 O 0.45193861355923 0.30072938412022 0.75951702580159 15.999 > 43 45 O 0.69927061587978 0.15120922943901 0.25951702580159 15.999 > 45 46 O 0.69927061587978 0.15120922943901 0.75951702580159 15.999 > 45 47 O 0.84879077056099 0.54806138644077 0.25951702580159 15.999 > 47 48 O 0.84879077056099 0.54806138644077 0.75951702580159 15.999 > 47 49 O 0.66666666666667 0.74083294983156 0.41666666666667 15.999 > 25 50 O 0.66666666666667 0.74083294983156 0.91666666666667 15.999 > 25 51 O 0.25916705016844 0.92583371683511 0.41666666666667 15.999 > 27 52 O 0.25916705016844 0.92583371683511 0.91666666666667 15.999 > 27 53 O 0.07416628316489 0.33333333333333 0.41666666666667 15.999 > 29 54 O 0.07416628316489 0.33333333333333 0.91666666666667 15.999 > 29 55 O 0.66666666666667 0.48235024120456 0.41666666666667 15.999 > 31 56 O 0.66666666666667 0.48235024120456 0.91666666666667 15.999 > 31 57 O 0.51764975879544 0.18431642546210 0.41666666666667 15.999 > 33 58 O 0.51764975879544 0.18431642546210 0.91666666666667 15.999 > 33 59 O 0.81568357453790 0.33333333333333 0.41666666666667 15.999 > 35 60 O 0.81568357453790 0.33333333333333 0.91666666666667 15.999 > 35 61 O 0.81787589610568 0.03260394921312 0.40714964086508 15.999 > 37 62 O 0.81787589610568 0.03260394921312 0.90714964086508 15.999 > 37 63 O 0.96739605078688 0.78527194689256 0.40714964086508 15.999 > 39 64 O 0.96739605078688 0.78527194689256 0.90714964086508 15.999 > 39 65 O 0.21472805310744 0.18212410389432 0.40714964086508 15.999 > 41 66 O 0.21472805310744 0.18212410389432 0.90714964086508 15.999 > 41 67 O 0.11860528022590 0.63406271745355 0.42618369246826 15.999 > 43 68 O 0.11860528022590 0.63406271745355 0.92618369246826 15.999 > 43 69 O 0.36593728254645 0.48454256277235 0.42618369246826 15.999 > 45 70 O 0.36593728254645 0.48454256277235 0.92618369246826 15.999 > 45 71 O 0.51545743722765 0.88139471977410 0.42618369246826 15.999 > 47 72 O 0.51545743722765 0.88139471977410 0.92618369246826 15.999 > 47 73 O 0.33333333333333 0.07416628316489 0.08333333333333 15.999 > 25 74 O 0.33333333333333 0.07416628316489 0.58333333333333 15.999 > 25 75 O 0.92583371683511 0.25916705016844 0.08333333333333 15.999 > 27 76 O 0.92583371683511 0.25916705016844 0.58333333333333 15.999 > 27 77 O 0.74083294983156 0.66666666666667 0.08333333333333 15.999 > 29 78 O 0.74083294983156 0.66666666666667 0.58333333333333 15.999 > 29 79 O 0.33333333333333 0.81568357453790 0.08333333333333 15.999 > 31 80 O 0.33333333333333 0.81568357453790 0.58333333333333 15.999 > 31 81 O 0.18431642546210 0.51764975879544 0.08333333333333 15.999 > 33 82 O 0.18431642546210 0.51764975879544 0.58333333333333 15.999 > 33 83 O 0.48235024120456 0.66666666666667 0.08333333333333 15.999 > 35 84 O 0.48235024120456 0.66666666666667 0.58333333333333 15.999 > 35 85 O 0.48454256277235 0.36593728254645 0.07381630753174 15.999 > 37 86 O 0.48454256277235 0.36593728254645 0.57381630753174 15.999 > 37 87 O 0.63406271745355 0.11860528022590 0.07381630753174 15.999 > 39 88 O 0.63406271745355 0.11860528022590 0.57381630753174 15.999 > 39 89 O 0.88139471977410 0.51545743722765 0.07381630753174 15.999 > 41 90 O 0.88139471977410 0.51545743722765 0.57381630753174 15.999 > 41 91 O 0.78527194689256 0.96739605078688 0.09285035913492 15.999 > 43 92 O 0.78527194689256 0.96739605078688 0.59285035913492 15.999 > 43 93 O 0.03260394921312 0.81787589610568 0.09285035913492 15.999 > 45 94 O 0.03260394921312 0.81787589610568 0.59285035913492 15.999 > 45 95 O 0.18212410389432 0.21472805310744 0.09285035913492 15.999 > 47 96 O 0.18212410389432 0.21472805310744 0.59285035913492 15.999 > 47 97 Al 0.33333333333333 0.11138181964339 0.33333333333333 26.982 > 97 98 Al 0.33333333333333 0.11138181964339 0.83333333333333 26.982 > 97 99 Al 0.77804848631005 0.66666666666667 0.33333333333333 26.982 > 99 100 Al 0.77804848631005 0.66666666666667 0.83333333333333 26.982 > 99 101 Al 0.88861818035661 0.22195151368995 0.33333333333333 26.982 > 101 102 Al 0.88861818035661 0.22195151368995 0.83333333333333 26.982 > 101 103 Al 0.00000000000000 0.44471515297672 0.00000000000000 26.982 > 97 104 Al 0.00000000000000 0.44471515297672 0.50000000000000 26.982 > 97 105 Al 0.44471515297672 0.00000000000000 0.00000000000000 26.982 > 99 106 Al 0.44471515297672 0.00000000000000 0.50000000000000 26.982 > 99 107 Al 0.55528484702328 0.55528484702328 0.00000000000000 26.982 > 101 108 Al 0.55528484702328 0.55528484702328 0.50000000000000 26.982 > 101 109 Al 0.66666666666667 0.77804848631005 0.16666666666667 26.982 > 97 110 Al 0.66666666666667 0.77804848631005 0.66666666666667 26.982 > 97 111 Al 0.11138181964339 0.33333333333333 0.16666666666667 26.982 > 99 112 Al 0.11138181964339 0.33333333333333 0.66666666666667 26.982 > 99 113 Al 0.22195151368995 0.88861818035661 0.16666666666667 26.982 > 101 114 Al 0.22195151368995 0.88861818035661 0.66666666666667 26.982 > 101 115 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 115 116 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 115 117 Tm 0.66666666666667 0.33333333333333 0.16666666666667 168.934 > 115 118 Tm 0.66666666666667 0.33333333333333 0.66666666666667 168.934 > 115 119 Tm 0.33333333333333 0.66666666666667 0.33333333333333 168.934 > 115 120 Tm 0.33333333333333 0.66666666666667 0.83333333333333 168.934 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3812349 -0.0000000 0.0000000 0.0000000 3.3812349 0.0000000 0.0000000 0.0000000 3.0876187 -------------------------- Born effective charges -------------------------- 1 B 2.4691051 -0.0000000 -0.0000000 -0.0000000 2.9254239 0.0959165 -0.0000000 -0.0894558 1.2136943 2 B 2.8113442 -0.1975918 0.0830661 -0.1975918 2.5831848 -0.0479583 -0.0774710 0.0447279 1.2136943 3 B 2.8113442 0.1975918 -0.0830661 0.1975918 2.5831848 -0.0479583 0.0774710 0.0447279 1.2136943 4 B 2.8273214 -0.0000000 -0.0000000 -0.0000000 2.8273214 -0.0000000 -0.0000000 -0.0000000 1.1159312 5 O -1.8336130 0.3867280 0.1018254 0.3867280 -2.2801681 0.0587889 0.0545895 0.0315173 -1.4101575 6 O -1.8336130 -0.3867280 -0.1018254 -0.3867280 -2.2801681 0.0587889 -0.0545895 0.0315173 -1.4101575 7 O -2.5034456 -0.0000000 0.0000000 -0.0000000 -1.6103355 -0.1175778 -0.0000000 -0.0630346 -1.4101575 8 O -1.7080215 0.5015687 0.2218516 0.5015687 -2.2871832 0.1280861 0.1776211 0.1025496 -1.4347263 9 O -1.7080215 -0.5015687 -0.2218516 -0.5015687 -2.2871832 0.1280861 -0.1776211 0.1025496 -1.4347263 10 O -2.5767640 -0.0000000 0.0000000 -0.0000000 -1.4184406 -0.2561722 -0.0000000 -0.2050992 -1.4347263 11 O -1.9144823 -0.4122786 -0.2395456 -0.3998041 -2.1526181 0.2389874 -0.2617904 0.2279030 -1.5534449 12 O -2.4447262 0.0936676 -0.0871963 0.1061421 -1.6223741 -0.3269463 -0.0664745 -0.3406686 -1.5534449 13 O -1.7414420 0.2998993 0.3267419 0.3123737 -2.3256583 0.0879589 0.3282650 0.1127657 -1.5534449 14 O -1.9144823 0.4122786 0.2395456 0.3998041 -2.1526181 0.2389874 0.2617904 0.2279030 -1.5534449 15 O -1.7414420 -0.2998993 -0.3267419 -0.3123737 -2.3256583 0.0879589 -0.3282650 0.1127657 -1.5534449 16 O -2.4447262 -0.0936676 0.0871963 -0.1061421 -1.6223741 -0.3269463 0.0664745 -0.3406686 -1.5534449 17 Al 3.2334018 0.0377717 -0.0494526 0.0377717 3.1897868 -0.0285515 -0.0701160 -0.0404815 3.1437645 18 Al 3.1679793 -0.0000000 -0.0000000 -0.0000000 3.2552093 0.0571030 -0.0000000 0.0809630 3.1437645 19 Al 3.2334018 -0.0377717 0.0494526 -0.0377717 3.1897868 -0.0285515 0.0701160 -0.0404815 3.1437645 20 Tm 3.8108822 -0.0000000 -0.0000000 -0.0000000 3.8108822 -0.0000000 -0.0000000 -0.0000000 3.6670130 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) 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 ... [ 9 9 9 ] 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: 0.74, Number of G-points: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/85) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 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 2.214 ( 0.000 0.000 -0.000) 0.000 2.978 ( 0.000 0.000 -0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 7.474 ( 0.000 0.000 -0.000) 0.000 7.474 ( 0.000 0.000 -0.000) 0.000 7.654 ( 0.000 0.000 -0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.844 ( 0.000 0.000 0.000) 0.000 8.844 ( 0.000 0.000 -0.000) 0.000 9.428 ( 0.000 0.000 -0.000) 0.000 9.820 ( 0.000 0.000 -0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 10.922 ( 0.000 0.000 0.000) 0.000 10.922 ( 0.000 0.000 -0.000) 0.000 11.022 ( 0.000 0.000 -0.000) 0.000 11.504 ( 0.000 0.000 0.000) 0.000 11.504 ( 0.000 0.000 0.000) 0.000 11.525 ( 0.000 0.000 -0.000) 0.000 12.218 ( 0.000 0.000 -0.000) 0.000 12.218 ( 0.000 0.000 0.000) 0.000 13.852 ( 0.000 0.000 -0.000) 0.000 14.585 ( 0.000 0.000 -0.000) 0.000 14.585 ( 0.000 0.000 -0.000) 0.000 14.792 ( 0.000 0.000 0.000) 0.000 14.864 ( 0.000 0.000 0.000) 0.000 14.864 ( 0.000 0.000 0.000) 0.000 15.807 ( 0.000 0.000 0.000) 0.000 15.807 ( 0.000 0.000 0.000) 0.000 16.604 ( 0.000 0.000 0.000) 0.000 17.814 ( 0.000 0.000 0.000) 0.000 17.814 ( 0.000 0.000 -0.000) 0.000 19.029 ( 0.000 0.000 -0.000) 0.000 19.388 ( 0.000 0.000 -0.000) 0.000 19.519 ( 0.000 0.000 0.000) 0.000 19.644 ( 0.000 0.000 0.000) 0.000 19.644 ( 0.000 0.000 0.000) 0.000 20.471 ( 0.000 0.000 -0.000) 0.000 20.471 ( 0.000 0.000 0.000) 0.000 21.596 ( 0.000 0.000 -0.000) 0.000 21.596 ( 0.000 0.000 0.000) 0.000 21.804 ( 0.000 0.000 0.000) 0.000 28.697 ( 0.000 0.000 -0.000) 0.000 29.171 ( 0.000 0.000 0.000) 0.000 29.171 ( 0.000 0.000 0.000) 0.000 29.914 ( 0.000 0.000 0.000) 0.000 37.741 ( 0.000 0.000 0.000) 0.000 37.741 ( 0.000 0.000 0.000) 0.000 38.634 ( 0.000 0.000 0.000) 0.000 38.634 ( 0.000 0.000 0.000) 0.000 39.060 ( 0.000 0.000 0.000) 0.000 39.191 ( 0.000 0.000 0.000) 0.000 39.718 ( 0.000 0.000 0.000) 0.000 39.718 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/85) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 28.290 16.333 16.893) 36.776 0.997 ( 18.558 10.714 39.741) 45.150 1.635 ( 51.088 29.496 41.222) 71.967 2.591 ( -7.066 -4.080 30.258) 31.339 2.999 ( 10.482 6.052 -2.512) 12.362 3.618 ( 33.983 19.620 9.012) 40.261 6.301 ( -4.622 -2.669 8.433) 9.980 6.666 ( -3.564 -2.058 2.580) 4.857 6.729 ( 2.122 1.225 3.103) 3.954 6.901 ( 5.701 3.291 4.429) 7.934 7.325 ( -9.272 -5.353 -2.274) 10.945 7.568 ( 10.535 6.083 -0.017) 12.165 7.892 ( 23.621 13.637 -0.454) 27.279 8.543 ( -7.275 -4.200 -10.859) 13.729 8.716 ( -3.945 -2.278 3.269) 5.607 9.054 ( 6.046 3.491 5.646) 8.978 9.422 ( -9.791 -5.653 1.834) 11.453 9.806 ( 7.077 4.086 -6.546) 10.470 9.961 ( 0.025 0.015 1.024) 1.024 10.744 ( -6.606 -3.814 -9.470) 12.160 10.882 ( 0.495 0.286 -7.897) 7.917 11.393 ( -6.154 -3.553 -4.061) 8.185 11.491 ( 2.442 1.410 0.712) 2.909 11.745 ( -16.079 -9.283 19.643) 27.029 11.781 ( 0.054 0.031 18.654) 18.654 12.226 ( 1.782 1.029 -3.983) 4.484 12.274 ( 5.160 2.979 1.204) 6.079 13.963 ( -13.050 -7.534 10.836) 18.560 14.500 ( -5.491 -3.170 -5.715) 8.536 14.548 ( -3.481 -2.010 -2.108) 4.539 14.761 ( -4.967 -2.868 3.190) 6.563 14.909 ( 3.252 1.878 0.748) 3.829 15.612 ( -5.729 -3.307 -8.932) 11.115 15.868 ( -6.724 -3.882 6.568) 10.169 16.195 ( 45.649 26.355 -62.012) 81.387 16.582 ( 11.077 6.395 -16.350) 20.759 17.772 ( 6.280 3.626 -7.171) 10.198 17.934 ( 3.302 1.907 3.040) 4.877 19.266 ( 3.379 1.951 -9.088) 9.890 19.583 ( -2.615 -1.510 5.929) 6.653 19.653 ( 0.304 0.176 3.077) 3.097 19.662 ( 0.343 0.198 1.707) 1.752 20.312 ( -21.835 -12.606 14.860) 29.266 20.478 ( -1.531 -0.884 0.311) 1.795 20.897 ( -16.544 -9.552 23.470) 30.262 21.552 ( -0.656 -0.379 -4.159) 4.228 21.672 ( 3.726 2.151 -2.047) 4.765 23.121 ( -80.802 -46.651 80.584) 123.284 28.719 ( 2.002 1.156 0.470) 2.360 29.194 ( 1.310 0.757 1.314) 2.004 29.207 ( 2.807 1.620 -0.145) 3.244 29.914 ( 0.137 0.079 -0.256) 0.300 37.754 ( 1.124 0.649 0.392) 1.356 38.329 ( 1.964 1.134 -10.640) 10.879 38.600 ( 1.883 1.087 -5.678) 6.080 38.948 ( 4.806 2.775 -7.934) 9.683 39.101 ( 8.280 4.780 -4.658) 10.635 39.244 ( -0.788 -0.455 5.946) 6.016 39.790 ( 4.770 2.754 3.514) 6.534 41.094 ( 117.918 68.080 -120.433) 181.779 ======================= Grid point 2 (3/85) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 17.838 10.299 11.491) 23.586 1.757 ( 12.757 7.366 24.711) 28.769 2.724 ( 18.881 10.901 27.054) 34.745 3.156 ( 7.113 4.106 42.125) 42.918 3.323 ( 27.362 15.797 5.533) 32.075 4.582 ( 50.149 28.954 24.248) 62.779 6.282 ( -15.387 -8.884 6.252) 18.835 6.662 ( 1.189 0.687 0.275) 1.400 6.816 ( 1.758 1.015 2.403) 3.146 7.105 ( 8.463 4.886 5.643) 11.284 7.212 ( -4.392 -2.536 5.190) 7.256 7.745 ( 14.349 8.285 -6.484) 17.793 8.225 ( 2.773 1.601 -15.285) 15.617 8.340 ( 23.302 13.453 -0.020) 26.907 8.713 ( -4.672 -2.697 5.358) 7.603 9.185 ( 6.074 3.507 -3.162) 7.694 9.274 ( -5.465 -3.155 -1.052) 6.397 9.805 ( -3.738 -2.158 0.531) 4.349 10.037 ( 9.526 5.500 1.889) 11.161 10.507 ( -11.563 -6.676 -2.898) 13.663 10.759 ( 2.935 1.694 -10.810) 11.329 11.235 ( -3.051 -1.761 -4.240) 5.513 11.544 ( -0.622 -0.359 2.457) 2.560 11.719 ( -8.489 -4.901 3.980) 10.580 11.954 ( -6.332 -3.656 10.372) 12.690 12.148 ( 0.596 0.344 -6.181) 6.220 12.606 ( 17.269 9.970 14.774) 24.817 13.815 ( -16.502 -9.527 -4.753) 19.639 14.262 ( -11.171 -6.449 -2.032) 13.058 14.437 ( -4.874 -2.814 -3.841) 6.813 14.743 ( -3.778 -2.181 2.732) 5.148 14.978 ( 3.415 1.972 1.255) 4.139 15.385 ( -7.261 -4.192 -6.054) 10.342 15.791 ( -11.792 -6.808 2.348) 13.818 15.921 ( 11.015 6.360 -30.249) 32.815 16.435 ( 4.609 2.661 -17.375) 18.172 17.796 ( 7.687 4.438 -5.265) 10.320 18.041 ( 2.904 1.677 4.753) 5.817 19.172 ( 2.141 1.236 -9.284) 9.607 19.561 ( -3.185 -1.839 -0.817) 3.767 19.695 ( -1.336 -0.771 3.381) 3.717 19.764 ( 0.038 0.022 9.133) 9.133 20.232 ( -11.013 -6.358 9.071) 15.621 20.438 ( -3.940 -2.275 0.803) 4.620 21.007 ( -2.710 -1.564 9.888) 10.371 21.457 ( -1.806 -1.043 -5.360) 5.751 21.695 ( 1.327 0.766 -0.217) 1.547 23.067 ( -35.299 -20.380 32.274) 51.989 28.763 ( 2.131 1.231 0.582) 2.529 29.233 ( 1.047 0.604 1.349) 1.811 29.294 ( 6.504 3.755 1.491) 7.657 29.903 ( -0.903 -0.521 -0.665) 1.237 37.787 ( 2.104 1.215 0.387) 2.460 38.171 ( -4.254 -2.456 -6.368) 8.042 38.536 ( 2.728 1.575 -6.982) 7.659 38.898 ( -3.345 -1.931 0.216) 3.869 39.152 ( 5.539 3.198 -3.256) 7.177 39.354 ( 0.600 0.347 7.922) 7.952 39.944 ( 5.412 3.124 4.734) 7.840 41.113 ( 53.419 30.842 -53.591) 81.712 ======================= Grid point 3 (4/85) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 7.417 4.282 5.661) 10.266 2.172 ( 5.131 2.962 11.531) 12.964 3.294 ( 13.051 7.535 17.759) 23.291 3.904 ( 31.358 18.104 7.218) 36.921 4.045 ( 9.401 5.428 50.478) 51.632 5.566 ( 10.258 5.922 13.054) 17.626 6.113 ( 5.575 3.219 1.507) 6.611 6.642 ( 5.512 3.182 -18.456) 19.522 6.821 ( -1.817 -1.049 2.354) 3.153 7.249 ( 4.089 2.361 5.910) 7.565 7.446 ( 7.107 4.103 14.496) 16.658 7.752 ( 9.208 5.316 -9.622) 14.340 8.152 ( 3.097 1.788 -2.113) 4.154 8.537 ( -0.129 -0.075 3.690) 3.693 8.858 ( 14.260 8.233 -3.190) 16.772 9.121 ( 1.943 1.122 -9.421) 9.685 9.316 ( 3.527 2.036 8.507) 9.432 9.760 ( -3.560 -2.056 1.256) 4.299 10.234 ( -1.380 -0.797 -4.561) 4.832 10.253 ( -4.017 -2.319 -0.162) 4.641 10.670 ( 4.432 2.559 -5.946) 7.845 11.223 ( 5.861 3.384 0.595) 6.794 11.532 ( -3.814 -2.202 2.003) 4.838 11.662 ( -5.189 -2.996 4.325) 7.390 11.963 ( -6.580 -3.799 5.439) 9.344 12.085 ( 4.414 2.548 -7.153) 8.783 13.143 ( 12.935 7.468 11.793) 19.031 13.276 ( -21.814 -12.595 -12.342) 28.050 14.136 ( -7.385 -4.264 1.394) 8.641 14.288 ( -5.811 -3.355 -1.888) 6.970 14.708 ( -5.362 -3.096 1.569) 6.388 15.043 ( 3.232 1.866 -0.507) 3.766 15.213 ( -5.263 -3.038 -2.171) 6.453 15.567 ( -10.740 -6.201 -9.485) 15.613 15.647 ( 0.941 0.543 -14.278) 14.319 16.258 ( 0.856 0.494 -9.528) 9.579 17.828 ( 4.760 2.748 -3.570) 6.554 18.173 ( 3.778 2.181 4.774) 6.467 19.044 ( -0.954 -0.551 -7.822) 7.899 19.490 ( -3.417 -1.973 -0.870) 4.040 19.722 ( -1.707 -0.986 3.199) 3.757 19.926 ( 2.580 1.489 8.846) 9.334 20.220 ( -3.820 -2.206 3.788) 5.815 20.386 ( -4.470 -2.581 1.035) 5.265 21.107 ( 0.288 0.166 5.279) 5.289 21.339 ( -2.057 -1.187 -5.298) 5.806 21.707 ( 0.295 0.171 0.093) 0.353 23.004 ( -17.238 -9.952 14.101) 24.393 28.799 ( 1.291 0.746 0.472) 1.564 29.268 ( 0.892 0.515 1.112) 1.515 29.446 ( 8.561 4.943 2.065) 10.099 29.857 ( -3.230 -1.865 -1.182) 3.913 37.828 ( 2.797 1.615 -0.277) 3.242 38.020 ( -5.063 -2.923 -2.929) 6.539 38.479 ( 2.320 1.339 -5.380) 6.010 38.853 ( -3.854 -2.225 1.488) 4.692 39.178 ( 2.794 1.613 -1.746) 3.669 39.486 ( 1.168 0.674 6.527) 6.665 40.084 ( 3.532 2.039 3.620) 5.453 41.134 ( 27.262 15.740 -26.915) 41.417 ======================= Grid point 4 (5/85) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 2.015 1.163 1.725) 2.897 2.326 ( 0.987 0.570 3.338) 3.527 3.650 ( 5.367 3.099 6.889) 9.267 4.511 ( 27.812 16.057 7.972) 33.089 4.902 ( 7.643 4.413 34.542) 35.652 5.280 ( -26.654 -15.389 -3.957) 31.031 6.215 ( -3.247 -1.874 -27.514) 27.769 6.438 ( 10.379 5.992 1.026) 12.029 6.886 ( 1.579 0.912 2.404) 3.018 7.395 ( 5.362 3.096 0.388) 6.204 7.769 ( 0.380 0.220 12.532) 12.539 7.827 ( 8.867 5.119 -3.479) 10.813 8.201 ( 1.330 0.768 5.054) 5.282 8.632 ( 1.169 0.675 5.607) 5.767 8.798 ( 0.609 0.351 -11.663) 11.684 9.221 ( 15.261 8.811 3.819) 18.031 9.541 ( 3.882 2.241 7.585) 8.811 9.638 ( -11.520 -6.651 -5.728) 14.483 9.913 ( -10.913 -6.301 -4.801) 13.485 10.296 ( 2.529 1.460 -2.834) 4.070 10.701 ( 2.131 1.231 -0.516) 2.515 11.396 ( 9.875 5.701 0.078) 11.403 11.515 ( -2.106 -1.216 0.874) 2.584 11.749 ( 3.884 2.242 8.586) 9.687 11.944 ( -4.150 -2.396 3.441) 5.899 12.078 ( 5.392 3.113 -1.289) 6.358 12.561 ( -22.741 -13.130 -15.916) 30.706 13.543 ( 4.876 2.815 3.653) 6.712 14.129 ( 3.137 1.811 7.423) 8.260 14.234 ( -0.880 -0.508 0.162) 1.029 14.591 ( -8.312 -4.799 -2.768) 9.989 15.057 ( 1.197 0.691 -0.653) 1.529 15.168 ( 0.017 0.010 0.136) 0.138 15.237 ( -6.061 -3.499 -9.793) 12.036 15.525 ( -0.844 -0.487 -2.744) 2.912 16.175 ( 0.011 0.006 -2.427) 2.427 17.840 ( 1.508 0.871 -1.248) 2.142 18.281 ( 1.852 1.069 2.278) 3.124 18.932 ( -0.955 -0.551 -3.430) 3.603 19.440 ( -1.422 -0.821 -0.284) 1.666 19.738 ( -0.707 -0.408 1.256) 1.498 20.095 ( 3.025 1.747 5.730) 6.711 20.213 ( -0.636 -0.367 -0.361) 0.818 20.323 ( -3.654 -2.110 -0.230) 4.226 21.175 ( 0.772 0.446 2.360) 2.523 21.245 ( -1.296 -0.748 -2.944) 3.303 21.710 ( -0.013 -0.007 0.058) 0.059 22.963 ( -5.291 -3.055 3.987) 7.295 28.818 ( 0.421 0.243 0.189) 0.521 29.291 ( 0.360 0.208 0.439) 0.605 29.614 ( 8.082 4.666 1.978) 9.539 29.762 ( -5.929 -3.423 -1.635) 7.039 37.863 ( 2.652 1.531 -0.973) 3.213 37.928 ( -3.511 -2.027 -0.009) 4.054 38.447 ( 0.899 0.519 -2.004) 2.257 38.825 ( -1.578 -0.911 0.677) 1.944 39.189 ( 0.840 0.485 -0.527) 1.104 39.574 ( 0.537 0.310 2.563) 2.637 40.160 ( 1.150 0.664 1.287) 1.849 41.147 ( 8.629 4.982 -8.443) 13.060 ======================= Grid point 10 (6/85) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.000 26.805 24.227) 36.131 1.520 ( 0.000 26.036 31.473) 40.846 2.244 ( 0.000 19.716 41.259) 45.728 2.907 ( 0.000 9.094 12.212) 15.226 3.304 ( 0.000 3.023 34.249) 34.382 3.854 ( 0.000 33.593 28.634) 44.141 6.477 ( 0.000 -6.273 12.785) 14.241 6.642 ( 0.000 -8.203 0.077) 8.203 6.886 ( 0.000 6.247 8.390) 10.460 6.985 ( 0.000 6.373 5.900) 8.685 7.370 ( 0.000 -4.107 0.254) 4.115 7.498 ( -0.000 11.103 -2.801) 11.451 7.836 ( -0.000 20.435 -2.365) 20.572 8.235 ( -0.000 -3.936 -18.892) 19.297 8.910 ( 0.000 0.129 9.696) 9.697 9.004 ( -0.000 -2.726 -3.849) 4.717 9.412 ( -0.000 -1.189 -5.679) 5.802 9.778 ( 0.000 4.724 3.989) 6.183 9.991 ( -0.000 -0.399 -0.417) 0.577 10.553 ( -0.000 2.035 -11.694) 11.870 10.797 ( -0.000 -9.670 -3.690) 10.350 11.272 ( -0.000 -3.265 -8.385) 8.998 11.522 ( 0.000 -3.998 5.905) 7.131 11.884 ( 0.000 -18.505 4.235) 18.983 12.050 ( 0.000 4.583 1.449) 4.807 12.211 ( 0.000 0.437 7.925) 7.937 12.383 ( 0.000 13.130 7.757) 15.250 14.015 ( 0.000 -17.660 -0.637) 17.672 14.344 ( -0.000 -7.387 -7.195) 10.312 14.480 ( -0.000 -2.301 -5.730) 6.175 14.744 ( 0.000 -14.017 2.737) 14.282 14.943 ( -0.000 2.884 -0.293) 2.899 15.446 ( -0.000 -0.855 -10.633) 10.667 15.659 ( -0.000 43.278 -22.690) 48.866 15.950 ( 0.000 -9.391 4.224) 10.297 16.443 ( -0.000 0.093 -10.242) 10.242 17.664 ( -0.000 6.211 -5.715) 8.440 18.008 ( 0.000 3.768 4.185) 5.632 19.116 ( -0.000 4.678 -10.089) 11.121 19.621 ( 0.000 -2.788 0.327) 2.807 19.674 ( 0.000 0.530 1.821) 1.897 19.785 ( 0.000 1.451 9.811) 9.918 20.413 ( -0.000 -1.814 -0.581) 1.904 20.483 ( 0.000 -0.861 0.166) 0.877 21.066 ( 0.000 -12.529 7.334) 14.518 21.479 ( -0.000 -1.541 -5.005) 5.237 21.680 ( 0.000 3.469 0.335) 3.485 23.882 ( 0.000 -74.640 25.122) 78.755 28.737 ( 0.000 3.016 1.277) 3.275 29.201 ( 0.000 1.643 1.341) 2.120 29.228 ( 0.000 2.103 1.771) 2.749 29.917 ( 0.000 -0.837 0.495) 0.972 37.596 ( -0.000 -5.810 -5.663) 8.113 38.168 ( -0.000 28.299 -15.629) 32.328 38.498 ( -0.000 -3.106 -1.421) 3.415 38.972 ( 0.000 10.784 0.971) 10.828 38.999 ( -0.000 9.190 -6.443) 11.224 39.370 ( 0.000 0.832 7.700) 7.744 39.681 ( -0.000 26.904 -11.545) 29.277 40.374 ( -0.000 37.057 0.406) 37.059 ======================= Grid point 11 (7/85) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -8.133 15.602 20.253) 26.828 2.066 ( -0.803 5.707 21.968) 22.712 2.980 ( 18.211 16.505 19.165) 31.167 3.277 ( 12.316 28.878 10.073) 32.971 3.957 ( -1.075 6.847 47.126) 47.633 4.845 ( 24.994 32.313 41.286) 58.081 6.460 ( -9.396 -12.128 -3.310) 15.695 6.584 ( -2.976 -3.202 -2.231) 4.908 6.951 ( -8.008 6.519 -0.613) 10.344 7.131 ( 3.725 5.167 4.679) 7.903 7.351 ( -0.164 4.496 4.778) 6.563 7.623 ( 1.340 4.154 5.302) 6.867 8.014 ( 7.553 4.689 -3.191) 9.446 8.161 ( 21.393 15.391 0.117) 26.354 8.805 ( -5.862 -9.754 -4.321) 12.173 9.101 ( 1.668 4.348 3.917) 6.085 9.337 ( -3.497 7.683 -2.944) 8.940 9.852 ( -0.602 -2.022 1.307) 2.481 9.986 ( 4.416 1.894 -0.291) 4.814 10.457 ( 4.437 -0.695 -5.628) 7.200 10.637 ( -6.404 -7.061 -3.831) 10.274 11.168 ( 0.599 0.447 -3.054) 3.144 11.565 ( -0.254 -6.671 3.338) 7.464 11.786 ( -2.765 -8.658 0.431) 9.100 11.999 ( 0.275 3.616 -6.567) 7.502 12.238 ( -11.002 4.150 2.452) 12.011 12.770 ( 10.334 11.005 18.460) 23.847 13.759 ( -11.268 -16.614 -10.573) 22.689 14.209 ( 2.049 -6.745 -5.247) 8.787 14.359 ( 1.045 -6.067 -6.670) 9.077 14.699 ( 1.734 -13.477 2.674) 13.848 14.940 ( 3.378 -1.722 -2.820) 4.725 15.287 ( -1.041 -4.135 -6.811) 8.036 15.586 ( -1.470 22.017 -16.680) 27.661 15.864 ( -7.718 -8.367 -1.859) 11.534 16.255 ( 0.249 1.992 -12.483) 12.644 17.677 ( 5.268 8.372 -4.160) 10.730 18.107 ( 1.511 4.088 4.144) 6.014 19.008 ( 1.974 4.675 -10.299) 11.482 19.581 ( -3.195 -2.291 -0.131) 3.934 19.715 ( 1.487 0.656 1.098) 1.961 19.945 ( -1.732 0.934 10.969) 11.144 20.355 ( -5.832 -1.394 0.452) 6.013 20.475 ( -1.004 -1.352 0.330) 1.716 21.099 ( 0.209 -7.319 6.100) 9.530 21.371 ( -0.527 -3.272 -6.095) 6.938 21.705 ( -0.008 2.638 0.035) 2.638 23.580 ( -22.476 -43.281 13.877) 50.705 28.788 ( -0.093 4.311 1.661) 4.620 29.254 ( 1.333 1.080 2.019) 2.650 29.289 ( 2.928 3.667 2.278) 5.216 29.910 ( -1.259 -1.290 0.389) 1.844 37.558 ( 14.823 -9.376 -6.657) 18.760 38.087 ( -2.372 11.470 -10.453) 15.699 38.475 ( -0.063 -6.134 2.078) 6.477 38.931 ( 0.687 8.462 -8.052) 11.701 39.082 ( 0.533 5.019 2.064) 5.453 39.474 ( 1.090 -2.075 6.105) 6.539 39.819 ( 12.544 29.052 -10.256) 33.265 40.722 ( 5.471 18.120 11.812) 22.311 ======================= Grid point 12 (8/85) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -10.956 4.526 14.663) 18.855 2.322 ( -2.985 0.567 11.986) 12.365 3.428 ( 10.806 6.796 8.925) 15.576 3.902 ( 20.921 34.945 11.376) 42.288 4.775 ( 4.375 9.686 44.487) 45.739 5.816 ( 5.766 10.526 18.806) 22.309 6.082 ( -7.351 -3.405 -21.402) 22.884 6.375 ( -7.142 7.152 -3.264) 10.621 6.903 ( -3.094 0.072 2.981) 4.297 7.274 ( 2.435 0.757 6.689) 7.158 7.560 ( 10.203 8.820 3.534) 13.942 7.784 ( -1.285 1.627 14.323) 14.472 8.151 ( 2.631 4.129 7.456) 8.920 8.536 ( 16.025 2.617 1.539) 16.310 8.664 ( 3.636 -6.192 -1.795) 7.402 9.083 ( -4.855 11.341 -5.028) 13.321 9.432 ( 3.835 6.732 7.091) 10.502 9.803 ( -5.227 -4.557 -0.635) 6.964 10.069 ( 10.600 2.484 -4.956) 11.962 10.358 ( -13.790 -7.869 -0.766) 15.895 10.554 ( 7.758 5.473 -1.792) 9.662 11.191 ( 3.777 1.016 1.066) 4.054 11.535 ( -0.889 -2.518 -0.835) 2.798 11.751 ( -0.693 -1.639 2.211) 2.838 11.958 ( 2.112 1.795 -1.906) 3.364 12.162 ( -10.369 2.807 2.855) 11.115 13.145 ( -15.817 -11.384 -10.760) 22.261 13.294 ( 5.119 2.203 7.151) 9.066 14.110 ( -2.261 -7.570 -5.478) 9.614 14.243 ( 5.121 -6.504 -3.299) 8.911 14.668 ( 3.676 -11.783 -0.600) 12.358 14.915 ( 6.968 -7.034 -4.444) 10.853 15.154 ( -2.318 -3.140 -4.334) 5.833 15.413 ( -8.179 4.480 -9.614) 13.394 15.656 ( -7.282 10.312 -9.668) 15.901 16.141 ( 4.006 -1.226 -6.269) 7.540 17.746 ( 4.946 7.346 -2.501) 9.202 18.228 ( 2.362 4.654 3.875) 6.501 18.901 ( 2.182 2.192 -9.301) 9.802 19.520 ( -4.185 -1.620 0.046) 4.488 19.739 ( 0.642 0.720 -0.488) 1.081 20.098 ( -2.295 2.252 10.348) 10.836 20.287 ( -5.122 -0.862 0.325) 5.204 20.441 ( -3.991 -2.220 0.145) 4.569 21.149 ( 1.024 -4.059 4.027) 5.809 21.252 ( 0.775 -5.198 -4.820) 7.131 21.716 ( -0.397 2.038 -0.258) 2.093 23.255 ( -16.887 -25.675 5.922) 31.296 28.835 ( -1.597 4.570 1.565) 5.088 29.295 ( -0.373 0.847 1.909) 2.122 29.422 ( 7.114 4.693 2.709) 8.943 29.875 ( -3.390 -2.196 -0.043) 4.040 37.581 ( 17.390 -8.781 -7.390) 20.836 37.976 ( -1.950 2.804 -6.314) 7.178 38.471 ( -0.215 -8.087 3.961) 9.007 38.874 ( -0.023 10.368 -7.905) 13.038 39.134 ( -0.237 1.693 1.875) 2.537 39.555 ( 2.614 -2.681 3.168) 4.905 39.990 ( 8.969 23.880 -8.670) 26.942 41.084 ( -1.718 8.366 19.901) 21.656 ======================= Grid point 13 (9/85) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -12.172 -0.105 10.612) 16.149 2.386 ( -6.428 -1.282 4.410) 7.900 3.618 ( 6.778 0.464 -2.231) 7.151 4.523 ( 18.792 31.207 4.127) 36.661 5.146 ( -11.314 -3.779 -11.831) 16.800 5.511 ( -35.176 -7.029 -6.512) 36.458 5.954 ( 14.246 14.198 13.468) 24.206 6.591 ( -3.534 5.094 9.222) 11.113 6.982 ( -1.443 -4.198 10.001) 10.942 7.407 ( 1.404 2.085 5.748) 6.274 7.720 ( 5.187 6.092 -1.706) 8.181 7.954 ( -2.837 -2.086 5.804) 6.789 8.291 ( -5.315 1.153 5.547) 7.768 8.628 ( 3.075 -3.666 -2.601) 5.447 8.726 ( 7.742 -3.824 10.364) 13.489 9.214 ( 9.312 16.194 4.604) 19.239 9.549 ( -2.841 1.028 -4.479) 5.403 9.674 ( -6.495 -8.585 0.623) 10.783 9.984 ( -9.055 -3.614 -0.482) 9.762 10.256 ( 1.281 4.224 0.907) 4.507 10.679 ( 4.522 5.100 0.059) 6.816 11.314 ( 10.547 4.659 0.371) 11.537 11.484 ( -0.061 1.948 -4.930) 5.301 11.802 ( 1.838 2.465 1.391) 3.375 12.025 ( -2.442 -0.911 6.806) 7.288 12.169 ( -1.173 0.350 8.417) 8.506 12.483 ( -21.782 -14.154 -15.324) 30.159 13.565 ( 3.059 -0.448 5.249) 6.092 13.904 ( 8.034 -4.712 -15.214) 17.839 14.308 ( 4.069 -8.053 5.894) 10.777 14.558 ( -0.124 -4.032 -8.043) 8.998 14.908 ( 12.324 -8.428 -1.962) 15.058 15.085 ( -0.919 -0.054 0.507) 1.052 15.229 ( -5.978 2.723 -4.240) 7.818 15.584 ( -1.716 16.430 -5.314) 17.353 16.129 ( 5.503 -2.361 -0.835) 6.046 17.813 ( 2.698 5.044 -0.244) 5.725 18.311 ( -0.685 3.870 0.406) 3.951 18.841 ( 5.376 1.198 -4.284) 6.978 19.470 ( -3.335 -0.625 0.596) 3.445 19.723 ( 0.193 1.446 -3.093) 3.419 20.203 ( -4.845 2.655 0.979) 5.611 20.250 ( -2.804 0.750 5.085) 5.855 20.344 ( -5.168 -3.264 -2.283) 6.525 21.163 ( 1.981 -4.240 -2.369) 5.246 21.208 ( 1.526 -4.787 3.495) 6.120 21.718 ( -0.682 2.144 -0.372) 2.280 23.006 ( -7.897 -15.467 -0.715) 17.381 28.859 ( -2.956 4.170 1.145) 5.239 29.315 ( -1.375 0.495 1.241) 1.917 29.590 ( 7.688 4.666 2.835) 9.430 29.793 ( -6.167 -3.452 -0.570) 7.091 37.627 ( 17.486 -5.214 -7.027) 19.553 37.889 ( 0.253 -3.216 -3.568) 4.810 38.478 ( 1.784 -9.419 3.428) 10.181 38.839 ( -1.585 11.613 -4.871) 12.692 39.165 ( -0.473 1.442 1.415) 2.075 39.583 ( 1.270 -1.657 -0.969) 2.302 40.087 ( 3.903 15.797 -6.546) 17.540 41.413 ( -10.745 2.627 27.437) 29.583 ======================= Grid point 14 (10/85) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -13.856 -2.459 6.770) 15.617 2.301 ( -9.211 -2.788 -1.322) 9.714 3.508 ( -3.157 -2.372 -14.113) 14.655 4.317 ( -8.719 -2.820 -43.818) 44.766 4.740 ( -35.535 -1.645 -7.579) 36.372 5.327 ( 5.134 16.707 11.144) 20.729 6.473 ( -2.014 8.757 12.268) 15.206 6.660 ( 3.081 3.686 7.662) 9.044 7.001 ( -13.238 -4.673 7.042) 15.706 7.465 ( -9.695 -9.886 4.106) 14.443 7.631 ( -8.017 0.719 -9.094) 12.145 7.990 ( -4.930 -3.220 10.034) 11.635 8.124 ( -7.158 -1.680 -8.652) 11.354 8.613 ( -3.103 -8.276 3.291) 9.431 8.940 ( 2.492 -6.077 8.896) 11.058 9.281 ( -6.100 -0.263 -2.333) 6.536 9.473 ( -5.837 3.809 -6.364) 9.438 9.649 ( 7.390 7.125 6.228) 12.007 9.989 ( -1.775 0.322 7.058) 7.285 10.353 ( 2.348 2.634 4.173) 5.465 10.725 ( -0.250 2.624 -0.150) 2.641 11.392 ( 2.523 -2.170 -4.948) 5.963 11.456 ( 3.009 0.398 -1.453) 3.365 11.664 ( -15.758 -5.339 -10.800) 19.835 11.913 ( -3.410 2.255 -0.774) 4.161 12.214 ( -4.361 -1.825 7.001) 8.448 12.602 ( 23.811 9.385 15.283) 29.810 13.463 ( -4.996 -8.714 -12.561) 16.083 13.868 ( 13.716 0.722 -5.022) 14.624 14.215 ( -0.535 -8.673 -4.271) 9.682 14.559 ( 6.121 6.320 -2.540) 9.158 15.016 ( 10.398 -10.150 2.418) 14.731 15.106 ( 0.241 -0.829 0.828) 1.196 15.232 ( 8.218 3.907 1.992) 9.315 15.675 ( 2.282 17.117 1.790) 17.361 16.237 ( 5.955 1.148 7.853) 9.922 17.872 ( 0.108 2.473 2.213) 3.320 18.266 ( -3.865 1.835 -4.400) 6.137 18.924 ( 8.221 1.891 2.175) 8.712 19.455 ( -0.791 0.298 0.824) 1.181 19.673 ( 1.004 3.285 -6.134) 7.031 20.087 ( -9.028 -0.818 -4.399) 10.076 20.205 ( -2.598 -1.083 -4.107) 4.979 20.344 ( -1.092 3.071 3.613) 4.866 21.099 ( 1.356 -8.447 -3.084) 9.094 21.284 ( 2.302 -0.972 5.356) 5.910 21.722 ( -1.015 2.966 0.061) 3.135 22.818 ( 0.073 -9.332 -7.083) 11.715 28.858 ( -3.758 3.306 0.636) 5.046 29.307 ( -2.206 0.076 0.371) 2.239 29.660 ( -8.638 -4.130 -1.031) 9.630 29.748 ( 5.857 3.287 2.590) 7.198 37.716 ( 16.406 -0.853 -5.154) 17.218 37.825 ( 3.065 -7.601 -2.149) 8.473 38.488 ( 5.187 -8.576 0.504) 10.035 38.851 ( -3.422 10.702 0.351) 11.241 39.189 ( -1.001 2.263 1.102) 2.709 39.534 ( -1.526 -0.140 -4.046) 4.326 40.097 ( -0.367 7.318 -5.213) 8.992 41.725 ( -19.117 -0.890 35.781) 40.578 ======================= Grid point 15 (11/85) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -15.086 -6.591 -2.269) 16.619 2.085 ( -17.365 -2.219 -4.034) 17.965 3.084 ( -12.120 -3.317 -25.145) 28.109 3.487 ( -17.929 -2.049 -34.944) 39.328 4.139 ( -38.599 -6.477 -5.916) 39.583 5.620 ( -6.551 7.253 3.867) 10.510 6.277 ( -34.763 -3.026 -5.733) 35.363 6.727 ( -7.055 -9.626 -2.733) 12.244 6.968 ( -7.387 6.395 6.631) 11.809 7.126 ( -4.306 1.907 -8.907) 10.075 7.401 ( -12.796 -4.061 -7.591) 15.422 8.021 ( -1.555 -9.446 14.838) 17.658 8.171 ( 0.676 -5.845 2.278) 6.310 8.547 ( -2.714 -1.590 5.459) 6.300 8.943 ( -5.185 -10.028 2.469) 11.556 9.265 ( -8.589 4.500 -4.702) 10.776 9.374 ( -8.828 8.069 6.956) 13.836 9.719 ( 0.497 0.316 -1.424) 1.541 10.186 ( 10.427 5.469 4.555) 12.624 10.337 ( -10.555 -6.565 -0.830) 12.457 10.770 ( 2.543 -0.331 5.777) 6.320 11.204 ( -2.539 -6.187 -5.867) 8.897 11.416 ( 5.108 -2.727 -1.905) 6.096 11.599 ( 4.481 2.478 1.144) 5.247 11.889 ( -1.555 9.845 -6.029) 11.648 12.257 ( -5.919 -0.259 6.847) 9.054 12.990 ( -7.762 -9.285 -15.618) 19.758 13.271 ( 22.455 8.102 10.413) 26.044 13.951 ( 13.354 2.842 -6.536) 15.137 14.246 ( 9.649 -2.045 4.062) 10.666 14.610 ( 6.156 1.125 -3.708) 7.274 15.018 ( 0.654 -5.177 -0.982) 5.310 15.192 ( 6.840 1.924 3.106) 7.755 15.427 ( 15.969 -1.159 0.741) 16.028 15.906 ( 7.156 11.037 7.184) 14.988 16.563 ( 3.255 7.381 23.166) 24.530 17.916 ( -2.651 -0.403 4.331) 5.094 18.139 ( -4.770 1.298 -5.740) 7.576 19.095 ( 8.119 2.104 4.460) 9.499 19.474 ( 4.073 -0.069 -1.774) 4.443 19.615 ( 1.617 6.143 -7.101) 9.528 19.885 ( -9.559 -1.196 -5.203) 10.949 20.092 ( 0.306 -0.192 -9.089) 9.096 20.400 ( -1.388 4.787 2.270) 5.477 20.977 ( 0.428 -10.160 -5.871) 11.742 21.399 ( 2.815 -0.341 5.550) 6.232 21.740 ( -2.250 4.141 1.640) 4.990 22.635 ( 5.588 -6.250 -15.041) 17.219 28.836 ( -4.090 2.058 0.254) 4.586 29.278 ( -2.644 -0.155 -0.271) 2.662 29.497 ( -9.905 -4.331 -1.294) 10.888 29.859 ( 3.237 1.916 2.056) 4.286 37.747 ( 3.559 -6.109 -2.874) 7.632 37.895 ( 16.730 -0.629 -0.674) 16.756 38.501 ( 7.524 -5.825 -2.174) 9.761 38.912 ( -3.812 7.393 4.685) 9.546 39.204 ( -1.517 3.100 0.311) 3.466 39.432 ( -4.751 1.004 -4.145) 6.384 40.020 ( -3.406 0.684 -5.163) 6.223 42.081 ( -25.410 -2.721 47.398) 53.848 ======================= Grid point 16 (12/85) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -19.487 -8.199 -20.754) 29.626 1.709 ( -33.039 -1.850 -4.924) 33.455 2.523 ( -19.088 -6.979 -12.227) 23.718 2.826 ( -23.022 5.318 -23.519) 33.339 3.585 ( -33.855 -6.724 -2.132) 34.582 4.913 ( -74.226 -15.236 -8.470) 76.246 6.080 ( 10.458 4.062 -5.959) 12.703 6.609 ( -0.872 -2.887 -2.592) 3.976 6.896 ( -9.331 3.941 -1.032) 10.182 7.115 ( -10.500 -2.618 -3.833) 11.481 7.196 ( 0.749 6.928 2.786) 7.505 7.895 ( -14.133 -13.663 -0.505) 19.664 8.291 ( 11.254 -1.232 2.260) 11.545 8.560 ( -21.522 -4.255 1.458) 21.987 8.829 ( -11.283 0.735 11.218) 15.928 9.145 ( -2.235 1.655 -5.329) 6.011 9.333 ( -6.329 -1.512 -1.094) 6.598 9.813 ( 5.533 5.291 4.705) 8.986 10.072 ( -9.140 -4.706 -4.610) 11.267 10.452 ( 11.462 3.610 5.085) 13.049 10.909 ( 2.859 -3.119 8.944) 9.895 11.177 ( 9.286 -0.067 -4.113) 10.156 11.437 ( 4.485 -7.865 0.471) 9.066 11.653 ( -0.539 -2.230 -0.299) 2.314 11.810 ( -2.023 14.570 -11.024) 18.382 12.293 ( -5.374 0.456 6.498) 8.445 12.565 ( -14.485 -3.946 -9.462) 17.746 13.600 ( 19.228 -3.693 -5.352) 20.298 14.163 ( 17.632 9.617 2.639) 20.257 14.424 ( 8.717 -1.116 4.995) 10.109 14.615 ( 6.133 -3.213 -3.933) 7.963 14.976 ( -1.167 -1.061 -0.954) 1.843 15.374 ( 11.662 2.159 4.461) 12.672 15.585 ( 14.809 -0.562 -3.766) 15.291 16.201 ( 11.372 4.640 8.185) 14.759 17.107 ( -2.999 6.494 39.566) 40.207 17.921 ( -5.285 -4.822 3.714) 8.060 18.044 ( -3.748 5.389 0.888) 6.624 19.253 ( 7.205 1.496 0.703) 7.393 19.460 ( 12.431 2.337 -14.928) 19.566 19.589 ( -1.831 3.014 -1.712) 3.920 19.705 ( -6.691 2.172 -4.416) 8.306 19.910 ( 0.442 -0.879 -14.803) 14.836 20.457 ( -1.223 6.528 2.226) 7.004 20.782 ( -0.933 -11.856 -9.044) 14.940 21.502 ( 2.991 -0.467 3.260) 4.448 21.782 ( -4.820 5.074 5.641) 8.989 22.367 ( 6.292 -5.785 -24.119) 25.588 28.798 ( -4.205 0.665 0.038) 4.257 29.238 ( -2.665 -0.260 -0.482) 2.721 29.342 ( -8.437 -2.622 -0.832) 8.874 29.915 ( 0.719 0.562 1.157) 1.474 37.708 ( 3.179 -5.389 -1.675) 6.478 38.110 ( 16.050 1.780 1.617) 16.229 38.523 ( 7.701 -2.935 -2.606) 8.643 38.997 ( -2.149 3.371 5.587) 6.870 39.200 ( -1.051 2.314 -1.297) 2.853 39.321 ( -7.784 1.961 -1.389) 8.146 39.881 ( -4.808 -2.462 -4.648) 7.126 42.597 ( -23.084 -1.617 59.899) 64.213 ======================= Grid point 17 (13/85) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -31.220 0.000 0.000) 31.220 1.173 ( -43.102 0.000 0.000) 43.102 2.015 ( -61.767 0.000 0.000) 61.767 2.351 ( -11.271 0.000 0.000) 11.271 3.223 ( -21.099 0.000 0.000) 21.099 3.972 ( -52.983 0.000 0.000) 52.983 6.166 ( 8.895 -0.000 -0.000) 8.895 6.574 ( 1.975 -0.000 -0.000) 1.975 6.798 ( -8.325 0.000 0.000) 8.325 6.944 ( -9.245 0.000 0.000) 9.245 7.294 ( 4.794 -0.000 -0.000) 4.794 7.670 ( -12.801 0.000 0.000) 12.801 8.182 ( -30.838 0.000 0.000) 30.838 8.398 ( 7.506 -0.000 -0.000) 7.506 8.929 ( -6.941 0.000 0.000) 6.941 8.959 ( -6.333 0.000 0.000) 6.333 9.322 ( 5.646 -0.000 -0.000) 5.646 9.906 ( -6.190 0.000 0.000) 6.190 9.982 ( 4.812 -0.000 -0.000) 4.812 10.655 ( 12.698 -0.000 -0.000) 12.698 11.120 ( 1.254 -0.000 -0.000) 1.254 11.145 ( 9.336 -0.000 -0.000) 9.336 11.428 ( 0.740 -0.000 -0.000) 0.740 11.562 ( -4.784 0.000 0.000) 4.784 11.741 ( -5.418 0.000 0.000) 5.418 12.291 ( -5.465 0.000 0.000) 5.465 12.358 ( -7.236 0.000 0.000) 7.236 13.697 ( 12.812 -0.000 -0.000) 12.812 14.407 ( 12.983 -0.000 -0.000) 12.983 14.566 ( 2.174 -0.000 -0.000) 2.174 14.631 ( 9.708 -0.000 -0.000) 9.708 14.944 ( -2.593 0.000 0.000) 2.593 15.613 ( 14.159 -0.000 -0.000) 14.159 15.672 ( 10.262 -0.000 -0.000) 10.262 16.433 ( 11.755 -0.000 -0.000) 11.755 17.562 ( -2.226 0.000 0.000) 2.226 17.862 ( -3.841 0.000 0.000) 3.841 18.350 ( 15.178 -0.000 -0.000) 15.178 19.063 ( -2.121 0.000 0.000) 2.121 19.454 ( 6.151 -0.000 -0.000) 6.151 19.481 ( -7.536 0.000 0.000) 7.536 19.663 ( -1.868 0.000 0.000) 1.868 19.716 ( -4.354 0.000 0.000) 4.354 20.508 ( -2.808 0.000 0.000) 2.808 20.583 ( -1.712 0.000 0.000) 1.712 21.560 ( 2.629 -0.000 -0.000) 2.629 21.869 ( -4.858 0.000 0.000) 4.858 22.031 ( -1.896 0.000 0.000) 1.896 28.750 ( -3.848 0.000 0.000) 3.848 29.200 ( -2.302 0.000 0.000) 2.302 29.247 ( -4.880 0.000 0.000) 4.880 29.925 ( -0.523 0.000 0.000) 0.523 37.708 ( 2.547 -0.000 -0.000) 2.547 38.313 ( 12.246 -0.000 -0.000) 12.246 38.571 ( 5.576 -0.000 -0.000) 5.576 39.051 ( -0.044 0.000 0.000) 0.044 39.186 ( 0.041 -0.000 -0.000) 0.041 39.227 ( -7.579 0.000 0.000) 7.579 39.770 ( -4.209 0.000 0.000) 4.209 43.169 ( 1.544 -0.000 -0.000) 1.544 ======================= Grid point 20 (14/85) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 0.000 -4.785 13.302) 14.136 2.525 ( 0.000 10.369 20.232) 22.734 3.182 ( 0.000 12.223 10.083) 15.845 3.644 ( 0.000 41.959 12.318) 43.730 4.697 ( 0.000 17.070 39.123) 42.685 5.634 ( 0.000 22.315 46.535) 51.609 6.127 ( -0.000 -4.687 -28.670) 29.050 6.628 ( 0.000 -9.711 0.904) 9.753 6.940 ( -0.000 0.825 -1.884) 2.057 7.308 ( 0.000 7.512 8.961) 11.693 7.493 ( 0.000 6.912 6.226) 9.303 7.797 ( 0.000 -2.210 10.542) 10.771 8.095 ( 0.000 20.166 9.310) 22.212 8.151 ( 0.000 7.144 8.291) 10.945 8.647 ( -0.000 -10.270 -6.220) 12.006 9.235 ( 0.000 0.444 3.862) 3.888 9.359 ( -0.000 14.419 -3.818) 14.916 9.800 ( -0.000 -4.476 -1.621) 4.760 9.980 ( -0.000 1.770 -1.023) 2.045 10.356 ( -0.000 1.763 -1.455) 2.286 10.609 ( -0.000 -6.098 -0.379) 6.110 11.152 ( -0.000 -1.318 -0.209) 1.335 11.557 ( 0.000 -6.526 2.778) 7.092 11.748 ( -0.000 -2.182 -0.381) 2.215 11.929 ( -0.000 5.587 -5.569) 7.888 12.351 ( -0.000 4.905 -1.099) 5.027 13.068 ( 0.000 9.809 17.539) 20.096 13.540 ( -0.000 -17.158 -12.897) 21.465 14.027 ( -0.000 -9.959 -6.144) 11.702 14.161 ( -0.000 -9.576 -8.819) 13.018 14.678 ( 0.000 -11.341 2.944) 11.717 14.787 ( -0.000 -5.183 -7.506) 9.122 15.207 ( -0.000 -1.192 -2.991) 3.220 15.511 ( -0.000 11.733 -11.790) 16.633 15.819 ( -0.000 -12.303 -2.135) 12.487 16.015 ( -0.000 7.914 -19.290) 20.850 17.678 ( -0.000 12.657 -1.675) 12.767 18.191 ( 0.000 5.163 4.040) 6.556 18.872 ( -0.000 4.960 -10.396) 11.519 19.583 ( -0.000 -1.936 -0.441) 1.986 19.724 ( 0.000 1.601 0.162) 1.609 20.135 ( 0.000 1.052 10.830) 10.881 20.386 ( -0.000 -1.365 -0.661) 1.516 20.472 ( 0.000 -0.361 0.824) 0.899 21.135 ( 0.000 -6.414 5.331) 8.340 21.234 ( -0.000 -6.227 -7.204) 9.522 21.722 ( -0.000 2.860 -0.340) 2.880 23.524 ( 0.000 -40.112 3.293) 40.247 28.865 ( 0.000 7.109 2.493) 7.534 29.286 ( 0.000 1.271 2.509) 2.813 29.337 ( 0.000 3.370 2.678) 4.304 29.917 ( 0.000 -1.993 0.749) 2.129 37.308 ( -0.000 -6.565 -6.353) 9.135 38.009 ( -0.000 6.596 -9.857) 11.860 38.451 ( 0.000 -12.568 2.314) 12.779 38.847 ( -0.000 6.653 -5.713) 8.769 39.198 ( 0.000 11.295 2.294) 11.526 39.474 ( -0.000 4.607 -2.939) 5.465 39.885 ( -0.000 22.316 0.421) 22.320 41.119 ( 0.000 9.691 25.942) 27.694 ======================= Grid point 21 (15/85) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -0.666 -10.551 7.537) 12.983 2.745 ( -18.541 8.583 15.603) 25.708 3.398 ( 10.644 1.325 1.855) 10.885 4.160 ( 9.498 42.963 3.947) 44.177 5.329 ( -1.133 6.083 7.572) 9.779 5.677 ( 1.730 16.545 -2.593) 16.836 6.254 ( -16.615 -7.787 10.739) 21.261 6.607 ( 1.986 8.917 13.586) 16.372 6.928 ( 1.519 -3.463 -0.269) 3.791 7.484 ( -5.218 5.910 12.436) 14.724 7.608 ( -1.127 5.118 6.631) 8.452 7.988 ( 2.493 3.310 10.345) 11.144 8.323 ( 9.843 -0.371 -1.830) 10.019 8.416 ( -1.507 4.456 15.937) 16.617 8.616 ( 4.844 -1.182 5.082) 7.120 9.200 ( -5.845 9.175 1.920) 11.047 9.487 ( 7.514 5.782 1.240) 9.562 9.748 ( 0.326 -0.870 -5.089) 5.173 9.983 ( 0.012 0.840 1.669) 1.869 10.434 ( -0.096 3.095 3.061) 4.353 10.546 ( -3.129 0.400 1.945) 3.706 11.103 ( 6.164 -4.104 -5.511) 9.231 11.587 ( -6.693 1.605 3.848) 7.885 11.757 ( 1.942 -0.207 2.353) 3.058 11.944 ( 4.806 4.101 0.820) 6.371 12.315 ( -6.388 3.124 0.091) 7.111 13.066 ( -19.957 -16.654 -14.539) 29.783 13.404 ( 5.298 7.019 10.157) 13.435 13.877 ( 4.130 -14.938 -12.393) 19.844 14.046 ( 9.592 -5.051 -0.603) 10.857 14.494 ( -0.629 -16.923 -8.776) 19.074 14.767 ( 3.460 -1.070 0.035) 3.621 15.143 ( -3.387 -2.593 -0.773) 4.335 15.382 ( -3.107 1.109 -7.268) 7.981 15.617 ( -3.286 7.274 -12.949) 15.212 15.898 ( 11.155 1.623 -10.732) 15.564 17.768 ( 0.693 13.072 0.459) 13.099 18.304 ( 0.930 6.184 4.086) 7.470 18.751 ( 1.584 2.818 -9.344) 9.887 19.548 ( -2.160 -1.513 -0.529) 2.690 19.727 ( -0.269 2.554 -1.898) 3.193 20.280 ( -1.532 1.048 6.884) 7.130 20.332 ( -2.485 -3.375 -0.311) 4.202 20.479 ( -4.496 0.752 1.503) 4.800 21.093 ( 2.957 -8.298 -5.445) 10.356 21.179 ( 0.682 -5.087 4.768) 7.005 21.734 ( -0.445 3.311 -0.384) 3.363 23.232 ( -7.435 -30.422 -1.560) 31.356 28.942 ( -3.062 8.219 2.518) 9.125 29.336 ( 0.130 0.374 2.361) 2.394 29.428 ( 4.198 4.062 2.997) 6.565 29.900 ( -2.405 -2.418 0.625) 3.467 37.241 ( 10.806 -6.036 -5.868) 13.698 37.892 ( -0.350 0.937 -7.666) 7.731 38.375 ( 4.059 -11.883 -3.643) 13.075 38.851 ( 0.089 2.114 1.461) 2.572 39.273 ( -6.330 13.265 1.576) 14.782 39.490 ( 5.350 7.160 -4.732) 10.114 40.042 ( 0.362 12.804 2.577) 13.066 41.593 ( -3.863 7.044 29.847) 30.909 ======================= Grid point 22 (16/85) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -1.449 -10.901 1.923) 11.164 2.731 ( -22.529 3.701 10.180) 24.998 3.478 ( 4.791 0.041 -5.259) 7.114 4.306 ( 7.690 15.201 -32.701) 36.872 5.174 ( -9.265 14.493 4.056) 17.673 5.849 ( -32.448 -2.474 -1.411) 32.572 6.317 ( 7.563 20.078 26.097) 33.785 6.706 ( -3.568 0.220 -3.387) 4.925 7.062 ( 7.121 -0.947 7.426) 10.332 7.598 ( -6.572 3.231 6.280) 9.647 7.768 ( -0.126 4.246 8.150) 9.191 8.023 ( -7.010 -6.055 2.372) 9.561 8.440 ( 0.035 -3.497 1.796) 3.931 8.554 ( 4.230 -2.686 5.331) 7.317 8.851 ( 1.270 3.926 17.514) 17.993 9.318 ( 0.749 6.484 2.752) 7.083 9.545 ( -2.773 -7.109 0.333) 7.638 9.676 ( -3.572 5.530 -1.306) 6.711 10.028 ( 1.930 4.926 1.992) 5.653 10.385 ( -9.466 -0.323 5.054) 10.735 10.673 ( 4.824 8.069 1.073) 9.462 11.175 ( 14.304 5.155 -2.770) 15.454 11.491 ( -8.844 -1.438 -1.020) 9.018 11.836 ( -0.042 5.910 0.672) 5.948 12.119 ( 9.188 -2.938 8.582) 12.911 12.282 ( -6.482 -4.294 1.494) 7.918 12.482 ( -22.873 -6.646 -7.188) 24.880 13.512 ( 2.631 -10.725 -16.968) 20.245 13.633 ( 0.322 -2.581 5.338) 5.938 14.177 ( 10.294 -6.393 -7.757) 14.388 14.269 ( 10.974 -9.470 -5.573) 15.530 14.811 ( 3.110 -2.280 3.246) 5.041 15.116 ( 0.477 -1.696 1.913) 2.600 15.252 ( -5.850 5.092 -4.645) 9.040 15.538 ( 9.092 13.225 -10.723) 19.302 15.937 ( 15.439 -1.662 -3.969) 16.027 17.876 ( -0.831 11.021 2.710) 11.380 18.365 ( -4.042 4.547 -0.791) 6.135 18.717 ( 7.653 2.844 -2.646) 8.582 19.501 ( -2.070 -1.694 -0.934) 2.833 19.690 ( -1.796 4.516 -4.243) 6.452 20.232 ( -2.699 -3.765 -2.737) 5.381 20.328 ( -4.518 -3.910 -1.439) 6.145 20.436 ( -7.352 4.399 4.474) 9.665 21.028 ( 4.556 -10.426 -1.683) 11.501 21.238 ( 1.405 -2.954 5.205) 6.148 21.750 ( -1.121 4.843 0.324) 4.981 22.915 ( -6.188 -21.819 -5.069) 23.239 28.977 ( -5.781 7.313 1.860) 9.505 29.358 ( -1.631 -0.186 1.540) 2.250 29.579 ( 7.294 4.111 3.244) 8.979 29.841 ( -5.634 -2.848 0.236) 6.317 37.286 ( 16.211 -4.235 -4.831) 17.438 37.784 ( 0.770 -3.717 -5.286) 6.508 38.291 ( 8.612 -8.642 -7.344) 14.240 38.905 ( -0.847 -2.114 5.800) 6.231 39.294 ( -6.290 12.330 -0.349) 13.846 39.530 ( 1.656 9.736 -3.526) 10.486 40.132 ( -1.965 4.389 2.337) 5.346 42.038 ( -7.773 5.350 31.182) 32.578 ======================= Grid point 23 (17/85) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -3.694 -10.232 -5.127) 12.026 2.606 ( -22.309 0.081 7.040) 23.394 3.307 ( -6.547 1.315 -17.122) 18.378 3.799 ( -6.457 -0.923 -29.580) 30.290 5.090 ( -34.198 3.921 -3.507) 34.600 5.624 ( -8.352 11.087 7.997) 16.020 6.605 ( -0.146 -0.134 -2.492) 2.500 6.869 ( 1.811 17.564 15.718) 23.640 7.165 ( -5.029 7.242 1.344) 8.918 7.606 ( -4.567 -6.178 -0.616) 7.707 7.680 ( -16.192 -2.112 1.745) 16.422 8.084 ( -8.457 -4.641 0.194) 9.649 8.255 ( -13.471 -7.822 7.820) 17.430 8.630 ( -1.060 -11.085 3.469) 11.664 8.973 ( -7.327 -7.393 1.268) 10.486 9.308 ( 5.722 7.564 1.359) 9.582 9.518 ( -4.056 -1.334 4.200) 5.989 9.792 ( -0.611 10.827 7.118) 12.971 10.110 ( -2.098 0.922 3.898) 4.522 10.423 ( -0.102 1.690 4.937) 5.219 10.735 ( -0.672 5.885 -2.236) 6.332 11.267 ( 2.788 1.197 -4.014) 5.031 11.419 ( -1.880 -4.838 1.241) 5.337 11.689 ( -15.340 0.110 -10.171) 18.405 12.009 ( -11.321 -2.988 1.495) 11.803 12.306 ( 4.475 -3.006 5.527) 7.721 12.599 ( 16.617 6.381 8.980) 19.937 13.203 ( -0.276 -4.448 -12.566) 13.333 13.700 ( 7.609 -3.969 -4.357) 9.625 14.058 ( 5.671 -7.894 -1.167) 9.790 14.357 ( 16.015 -0.338 -8.133) 17.965 14.915 ( 5.367 -5.021 5.015) 8.897 15.138 ( -0.305 -0.635 1.408) 1.575 15.202 ( 0.414 6.003 -1.980) 6.335 15.669 ( 14.210 12.163 -3.407) 19.012 16.172 ( 24.870 1.331 4.813) 25.367 17.979 ( -2.779 7.416 4.737) 9.228 18.272 ( -6.504 2.606 -4.056) 8.096 18.862 ( 10.119 3.208 2.796) 10.977 19.431 ( -0.413 -2.390 -5.092) 5.640 19.639 ( -2.686 7.666 -3.132) 8.706 20.110 ( -2.737 -5.750 -4.892) 8.030 20.155 ( -9.379 -2.663 -3.992) 10.535 20.479 ( -4.385 5.640 3.996) 8.185 20.961 ( 1.258 -12.630 -1.873) 12.830 21.331 ( 2.700 -1.633 5.111) 6.007 21.794 ( -2.108 7.403 2.628) 8.133 22.627 ( -3.068 -15.859 -8.431) 18.221 28.966 ( -6.801 5.225 1.069) 8.643 29.346 ( -2.679 -0.522 0.627) 2.801 29.732 ( -7.084 -2.228 0.069) 7.427 29.740 ( 4.814 2.383 2.523) 5.934 37.420 ( 19.267 -1.385 -2.904) 19.534 37.697 ( 1.994 -6.558 -3.397) 7.650 38.247 ( 11.689 -5.287 -7.544) 14.883 38.973 ( -1.105 -4.290 7.103) 8.371 39.281 ( -3.612 9.450 -3.426) 10.681 39.553 ( -5.366 11.818 -0.209) 12.981 40.123 ( -4.656 -2.083 0.675) 5.145 42.455 ( -8.504 3.999 31.308) 32.688 ======================= Grid point 24 (18/85) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -10.082 -7.439 -10.911) 16.614 2.382 ( -23.589 -1.762 -1.920) 23.732 2.912 ( -14.500 -1.154 -9.818) 17.549 3.328 ( -17.036 1.116 -14.654) 22.500 4.543 ( -43.732 -0.642 -3.322) 43.863 5.767 ( 3.420 6.377 3.082) 7.865 6.584 ( -8.088 3.546 1.415) 8.944 6.918 ( -47.333 -2.767 -4.061) 47.587 7.141 ( -18.454 5.274 -0.535) 19.200 7.263 ( -13.178 6.060 5.184) 15.403 7.415 ( -12.678 -5.199 -5.486) 14.760 7.951 ( 12.068 -4.188 -1.699) 12.886 8.205 ( -8.195 -17.147 1.385) 19.055 8.692 ( 2.833 -1.189 11.453) 11.858 8.916 ( 2.306 -2.685 -2.090) 4.110 9.452 ( -10.068 3.860 5.633) 12.165 9.572 ( 5.362 9.837 3.093) 11.622 9.789 ( -19.004 1.910 0.929) 19.123 10.183 ( 2.597 -0.984 1.442) 3.129 10.395 ( -7.324 -3.050 -0.557) 7.953 10.780 ( 5.873 2.126 2.751) 6.825 11.080 ( -7.810 -8.317 -7.884) 13.868 11.343 ( 3.592 -0.173 -0.381) 3.616 11.636 ( 0.676 -0.480 5.989) 6.046 11.903 ( -5.823 6.555 -6.078) 10.669 12.383 ( 0.708 -1.405 3.070) 3.449 12.809 ( -0.502 1.292 -5.174) 5.357 13.135 ( 13.436 -4.366 -2.138) 14.289 13.767 ( 13.682 8.089 0.457) 15.901 14.168 ( 11.685 -7.018 5.855) 14.835 14.390 ( 13.968 -1.358 -9.414) 16.899 14.970 ( 1.473 -1.654 0.243) 2.228 15.181 ( 2.481 1.326 1.616) 3.244 15.270 ( 9.508 -0.466 0.115) 9.520 15.897 ( 14.437 6.682 1.580) 15.987 16.683 ( 33.174 4.525 11.164) 35.294 18.034 ( -4.205 1.326 2.318) 4.981 18.172 ( -7.360 4.206 0.741) 8.510 19.051 ( 9.437 1.794 3.378) 10.183 19.294 ( 1.428 -1.287 -11.130) 11.295 19.646 ( -2.643 7.579 0.714) 8.058 19.943 ( -7.512 -4.215 -3.263) 9.211 19.969 ( -6.516 -2.990 -5.502) 9.038 20.530 ( -3.950 7.879 3.208) 9.379 20.823 ( -2.165 -12.943 -3.516) 13.586 21.422 ( 3.525 -1.083 2.784) 4.621 21.888 ( -3.762 9.443 6.430) 12.028 22.346 ( -2.108 -12.489 -11.573) 17.157 28.923 ( -6.564 2.477 0.417) 7.028 29.312 ( -3.184 -0.337 0.073) 3.202 29.587 ( -11.031 -2.223 -0.426) 11.261 29.857 ( 4.374 1.489 1.617) 4.895 37.616 ( 11.163 2.019 -2.325) 11.580 37.660 ( 12.873 -6.930 -0.103) 14.620 38.268 ( 12.545 -2.550 -4.956) 13.728 39.035 ( -0.940 -4.011 5.919) 7.212 39.236 ( -1.721 5.777 -4.625) 7.597 39.550 ( -10.462 9.512 1.925) 14.270 40.024 ( -6.554 -4.383 -1.206) 7.977 42.859 ( -3.920 2.684 26.481) 26.904 ======================= Grid point 25 (19/85) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -19.643 0.000 0.000) 19.643 2.016 ( -28.396 0.000 0.000) 28.396 2.695 ( -15.377 0.000 0.000) 15.377 2.941 ( -25.264 0.000 0.000) 25.264 3.994 ( -41.465 0.000 0.000) 41.465 5.822 ( -88.603 0.000 0.000) 88.603 5.906 ( 10.194 -0.000 -0.000) 10.194 6.605 ( -2.702 0.000 0.000) 2.702 7.014 ( -9.043 0.000 0.000) 9.043 7.203 ( -11.427 0.000 0.000) 11.427 7.307 ( -5.488 0.000 0.000) 5.488 7.934 ( -5.725 0.000 0.000) 5.725 8.174 ( 9.153 -0.000 -0.000) 9.153 8.769 ( -10.114 0.000 0.000) 10.114 8.937 ( 7.108 -0.000 -0.000) 7.108 9.382 ( -34.413 0.000 0.000) 34.413 9.389 ( -10.189 0.000 0.000) 10.189 9.802 ( 10.293 -0.000 -0.000) 10.293 10.082 ( -7.374 0.000 0.000) 7.374 10.421 ( 5.223 -0.000 -0.000) 5.223 10.939 ( 4.935 -0.000 -0.000) 4.935 10.957 ( 10.435 -0.000 -0.000) 10.435 11.396 ( 3.097 -0.000 -0.000) 3.097 11.676 ( -3.378 0.000 0.000) 3.378 11.807 ( -2.826 0.000 0.000) 2.826 12.405 ( -1.788 0.000 0.000) 1.788 12.642 ( -14.257 0.000 0.000) 14.257 13.289 ( 19.474 -0.000 -0.000) 19.474 14.027 ( 16.903 -0.000 -0.000) 16.903 14.385 ( 10.188 -0.000 -0.000) 10.188 14.414 ( 12.834 -0.000 -0.000) 12.834 14.971 ( 0.009 -0.000 -0.000) 0.009 15.274 ( 10.260 -0.000 -0.000) 10.260 15.393 ( 11.418 -0.000 -0.000) 11.418 16.117 ( 14.314 -0.000 -0.000) 14.314 17.237 ( 31.861 -0.000 -0.000) 31.861 17.979 ( -5.354 0.000 0.000) 5.354 18.164 ( -2.754 0.000 0.000) 2.754 19.118 ( -2.564 0.000 0.000) 2.564 19.242 ( 10.583 -0.000 -0.000) 10.583 19.655 ( -4.284 0.000 0.000) 4.284 19.793 ( -10.535 0.000 0.000) 10.535 19.826 ( -4.007 0.000 0.000) 4.007 20.582 ( -2.830 0.000 0.000) 2.830 20.659 ( -4.623 0.000 0.000) 4.623 21.483 ( 3.633 -0.000 -0.000) 3.633 22.007 ( -6.134 0.000 0.000) 6.134 22.080 ( -2.038 0.000 0.000) 2.038 28.861 ( -5.556 0.000 0.000) 5.556 29.271 ( -3.329 0.000 0.000) 3.329 29.441 ( -10.738 0.000 0.000) 10.738 29.913 ( 2.084 -0.000 -0.000) 2.084 37.636 ( 3.082 -0.000 -0.000) 3.082 37.899 ( 21.085 -0.000 -0.000) 21.085 38.363 ( 11.388 -0.000 -0.000) 11.388 39.063 ( -0.719 0.000 0.000) 0.719 39.198 ( -0.987 0.000 0.000) 0.987 39.468 ( -11.808 0.000 0.000) 11.808 39.908 ( -6.895 0.000 0.000) 6.895 43.118 ( 2.507 -0.000 -0.000) 2.507 ======================= Grid point 30 (20/85) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 0.000 -12.492 2.723) 12.785 3.146 ( 0.000 3.647 6.741) 7.664 3.318 ( 0.000 0.160 2.993) 2.998 4.165 ( -0.000 23.779 -28.047) 36.770 5.313 ( 0.000 13.434 2.738) 13.710 6.174 ( 0.000 24.509 27.386) 36.752 6.351 ( -0.000 -9.757 -1.578) 9.884 6.746 ( -0.000 3.574 -6.030) 7.009 6.925 ( 0.000 3.402 8.624) 9.271 7.658 ( 0.000 3.253 4.651) 5.676 7.865 ( 0.000 -7.556 11.985) 14.168 8.163 ( 0.000 11.211 14.962) 18.696 8.203 ( -0.000 -2.983 -4.921) 5.754 8.552 ( 0.000 -6.374 4.476) 7.789 8.861 ( 0.000 6.322 20.107) 21.078 9.341 ( 0.000 -0.862 3.875) 3.969 9.453 ( -0.000 11.089 -0.691) 11.111 9.744 ( 0.000 6.155 3.401) 7.032 10.069 ( 0.000 3.653 4.984) 6.180 10.511 ( 0.000 7.155 1.893) 7.401 10.669 ( 0.000 -0.463 7.371) 7.386 10.893 ( -0.000 -0.195 -7.180) 7.183 11.692 ( -0.000 -2.132 -1.117) 2.407 11.851 ( 0.000 2.127 9.582) 9.815 11.925 ( 0.000 3.608 0.563) 3.652 12.347 ( -0.000 -0.419 -1.608) 1.661 12.913 ( -0.000 -12.417 -8.876) 15.263 13.427 ( -0.000 -3.880 -9.589) 10.345 13.654 ( 0.000 -8.371 0.358) 8.378 13.942 ( -0.000 -1.489 -0.545) 1.585 14.228 ( -0.000 -17.732 -7.399) 19.214 14.770 ( 0.000 -1.120 1.492) 1.866 15.106 ( -0.000 -5.619 -6.152) 8.332 15.260 ( -0.000 1.044 -9.011) 9.072 15.438 ( -0.000 -0.916 -9.090) 9.136 15.725 ( -0.000 13.656 -9.942) 16.892 17.892 ( 0.000 14.549 2.698) 14.797 18.423 ( 0.000 7.412 5.143) 9.022 18.614 ( -0.000 1.793 -8.261) 8.453 19.528 ( -0.000 -2.087 -2.132) 2.983 19.719 ( -0.000 4.884 -2.945) 5.703 20.259 ( -0.000 -7.811 -3.750) 8.664 20.373 ( 0.000 -1.738 3.686) 4.075 20.577 ( 0.000 3.691 1.758) 4.088 20.938 ( -0.000 -10.334 -1.474) 10.438 21.221 ( 0.000 -3.546 5.011) 6.138 21.765 ( 0.000 5.339 0.465) 5.359 23.009 ( -0.000 -27.469 -5.711) 28.057 29.074 ( 0.000 10.493 2.579) 10.805 29.371 ( 0.000 -1.135 2.598) 2.835 29.471 ( 0.000 3.211 2.645) 4.160 29.911 ( 0.000 -2.117 0.828) 2.273 37.070 ( -0.000 -3.907 -3.788) 5.442 37.779 ( -0.000 -0.610 -6.894) 6.921 38.173 ( -0.000 -10.345 -7.815) 12.965 38.914 ( 0.000 -4.810 6.942) 8.445 39.399 ( -0.000 10.326 -8.028) 13.080 39.486 ( 0.000 17.937 3.652) 18.305 40.160 ( 0.000 2.205 5.107) 5.562 42.127 ( 0.000 6.792 28.930) 29.716 ======================= Grid point 31 (21/85) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -1.063 -10.673 -2.054) 10.921 3.028 ( -10.445 -2.865 -3.863) 11.499 3.422 ( -3.750 5.359 -2.082) 6.864 3.810 ( 3.280 5.402 -24.942) 25.730 5.523 ( -7.901 15.473 10.131) 20.111 6.096 ( -16.827 -5.801 -4.427) 18.342 6.559 ( 1.883 -0.313 -4.238) 4.648 6.830 ( 0.820 18.684 18.748) 26.482 7.130 ( 3.585 16.361 4.957) 17.468 7.654 ( -2.003 -4.033 -3.511) 5.710 7.937 ( -5.359 -0.109 3.357) 6.325 8.106 ( 1.413 -3.658 3.756) 5.430 8.433 ( -2.998 -8.294 8.425) 12.197 8.587 ( 3.958 -3.222 4.840) 7.034 9.114 ( 5.499 -1.828 5.245) 7.816 9.404 ( -7.113 -0.606 8.993) 11.482 9.551 ( -0.211 2.876 5.237) 5.978 9.871 ( -8.465 12.856 4.847) 16.138 10.110 ( -4.059 4.531 3.135) 6.843 10.537 ( -4.077 1.705 -0.084) 4.419 10.725 ( 1.629 6.510 4.909) 8.315 11.052 ( 11.159 7.154 4.771) 14.088 11.578 ( -8.588 -4.687 -1.085) 9.843 11.860 ( -1.578 6.237 -6.013) 8.806 12.100 ( 6.712 -7.238 9.154) 13.463 12.290 ( -1.579 -3.459 -0.956) 3.920 12.673 ( -15.462 -0.767 -0.916) 15.508 13.227 ( -2.278 -8.210 -7.790) 11.545 13.528 ( 7.723 -12.657 -11.438) 18.726 13.951 ( -1.798 -4.672 2.365) 5.537 14.099 ( 2.313 -1.686 -3.839) 4.788 14.801 ( 9.049 -8.858 3.574) 13.157 15.018 ( 13.763 5.968 -10.623) 18.382 15.199 ( 8.113 -3.334 -5.612) 10.413 15.343 ( -5.475 6.035 -3.112) 8.722 15.739 ( 9.218 8.596 -5.157) 13.618 18.029 ( -1.167 11.619 3.653) 12.236 18.433 ( -6.139 2.712 -3.066) 7.378 18.650 ( 6.972 6.150 3.313) 9.870 19.452 ( -0.675 -3.043 -5.073) 5.954 19.703 ( -1.887 7.346 -2.675) 8.043 20.126 ( 0.145 -10.778 -4.777) 11.790 20.355 ( -4.992 -4.154 -0.361) 6.504 20.577 ( -3.145 3.868 0.569) 5.017 20.912 ( 2.231 -8.338 1.935) 8.846 21.283 ( 1.074 -2.615 4.661) 5.452 21.832 ( -0.894 8.591 2.930) 9.121 22.712 ( -2.654 -21.980 -7.772) 23.464 29.139 ( -6.196 8.977 1.721) 11.043 29.391 ( -0.864 -1.979 1.650) 2.718 29.568 ( 6.042 2.654 2.574) 7.084 29.890 ( -3.594 -1.604 0.667) 3.992 37.058 ( 8.800 -2.160 -2.216) 9.328 37.677 ( -0.056 -2.476 -4.740) 5.348 38.020 ( 5.813 -7.288 -7.849) 12.186 38.987 ( -0.251 -6.870 7.762) 10.369 39.335 ( -0.935 9.041 -7.609) 11.854 39.662 ( -2.816 18.973 3.582) 19.512 40.210 ( -2.099 -4.893 3.926) 6.615 42.569 ( -1.940 5.440 23.984) 24.670 ======================= Grid point 32 (22/85) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -4.737 -6.592 -5.031) 9.550 2.800 ( -10.551 -2.099 -6.992) 12.830 3.208 ( -9.960 2.288 -10.036) 14.323 3.625 ( -7.769 0.793 -4.033) 8.789 5.469 ( -27.897 3.128 0.165) 28.072 5.836 ( -11.396 0.018 -0.889) 11.430 6.571 ( 4.506 2.967 0.645) 5.433 7.143 ( -0.174 11.069 7.121) 13.163 7.375 ( -3.191 15.701 6.197) 17.179 7.525 ( -0.713 -1.012 -4.820) 4.976 7.805 ( -6.975 -4.393 -1.445) 8.369 8.270 ( -7.676 -10.616 8.615) 15.679 8.367 ( -1.591 -4.568 2.162) 5.299 8.642 ( -2.419 1.535 2.333) 3.694 9.031 ( -15.318 -10.401 -8.729) 20.470 9.390 ( -7.290 -2.026 12.836) 14.900 9.596 ( 1.281 5.955 -2.577) 6.614 9.987 ( -0.054 6.441 9.055) 11.112 10.183 ( -1.138 3.631 1.918) 4.261 10.492 ( -2.964 0.607 -1.466) 3.362 10.829 ( -7.817 3.831 5.471) 10.282 11.209 ( 4.891 3.435 -1.179) 6.092 11.498 ( -7.931 -5.441 4.796) 10.747 11.679 ( -7.913 3.402 -10.488) 13.572 12.188 ( -16.843 -3.874 2.005) 17.399 12.240 ( 6.882 -5.415 2.295) 9.052 12.584 ( 6.232 6.094 0.412) 8.726 13.086 ( -0.905 -6.051 -3.579) 7.088 13.473 ( 12.190 1.561 -1.062) 12.335 13.890 ( 8.166 -13.101 -5.910) 16.530 14.108 ( 5.537 3.951 -2.452) 7.231 14.920 ( 2.721 -4.599 4.834) 7.205 15.112 ( 5.192 2.404 -0.607) 5.754 15.257 ( -0.867 3.550 -2.531) 4.445 15.354 ( 29.866 2.895 -4.990) 30.418 15.917 ( 21.070 3.329 0.142) 21.332 18.114 ( -2.291 4.684 1.649) 5.469 18.348 ( -6.303 3.570 0.041) 7.244 18.842 ( 6.902 4.469 4.873) 9.558 19.312 ( -1.533 -3.127 -7.881) 8.617 19.709 ( -2.342 8.476 -0.204) 8.796 19.980 ( 0.032 -10.321 -4.297) 11.180 20.221 ( -9.339 -2.517 -1.449) 9.781 20.599 ( -1.237 4.076 1.444) 4.498 20.879 ( -2.202 -7.385 0.391) 7.716 21.346 ( 2.513 -1.616 2.443) 3.859 21.958 ( -2.043 11.655 6.359) 13.434 22.415 ( -2.884 -16.895 -8.879) 19.303 29.112 ( -8.788 4.543 0.821) 9.927 29.376 ( -2.025 -1.267 0.474) 2.435 29.705 ( 7.562 1.505 1.638) 7.883 29.822 ( -7.343 -0.904 0.330) 7.406 37.172 ( 15.502 -0.555 -0.865) 15.536 37.601 ( 0.302 -3.205 -2.419) 4.027 37.980 ( 10.265 -3.161 -4.968) 11.835 39.050 ( -0.408 -5.903 6.393) 8.711 39.268 ( -0.894 6.572 -6.303) 9.150 39.773 ( -7.219 14.505 2.898) 16.459 40.165 ( -4.608 -7.427 1.294) 8.836 42.896 ( -0.207 3.174 15.648) 15.968 ======================= Grid point 33 (23/85) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -9.559 0.000 0.000) 9.559 2.563 ( -16.545 0.000 0.000) 16.545 3.020 ( -11.385 0.000 0.000) 11.385 3.438 ( -16.705 0.000 0.000) 16.705 5.035 ( -41.365 0.000 0.000) 41.365 5.771 ( -0.429 0.000 0.000) 0.429 6.637 ( 1.204 -0.000 -0.000) 1.204 7.177 ( -10.060 0.000 0.000) 10.060 7.397 ( -0.605 0.000 0.000) 0.605 7.488 ( -11.327 0.000 0.000) 11.327 7.773 ( 7.487 -0.000 -0.000) 7.487 7.869 ( -66.035 0.000 0.000) 66.035 8.202 ( -5.315 0.000 0.000) 5.315 8.769 ( 5.886 -0.000 -0.000) 5.886 8.808 ( 2.462 -0.000 -0.000) 2.462 9.518 ( 8.946 -0.000 -0.000) 8.946 9.592 ( -3.372 0.000 0.000) 3.372 10.094 ( -14.956 0.000 0.000) 14.956 10.136 ( 3.012 -0.000 -0.000) 3.012 10.446 ( -3.043 0.000 0.000) 3.043 10.801 ( -3.561 0.000 0.000) 3.561 11.153 ( -22.241 0.000 0.000) 22.241 11.302 ( 0.993 -0.000 -0.000) 0.993 11.675 ( 3.987 -0.000 -0.000) 3.987 11.971 ( -12.925 0.000 0.000) 12.925 12.322 ( 7.356 -0.000 -0.000) 7.356 12.827 ( 18.306 -0.000 -0.000) 18.306 12.934 ( -8.418 0.000 0.000) 8.418 13.705 ( 9.427 -0.000 -0.000) 9.427 13.931 ( 24.283 -0.000 -0.000) 24.283 14.171 ( 6.664 -0.000 -0.000) 6.664 14.956 ( 1.118 -0.000 -0.000) 1.118 15.179 ( 6.022 -0.000 -0.000) 6.022 15.209 ( -3.488 0.000 0.000) 3.488 15.702 ( 24.503 -0.000 -0.000) 24.503 16.301 ( 38.656 -0.000 -0.000) 38.656 18.094 ( -3.991 0.000 0.000) 3.991 18.305 ( -6.412 0.000 0.000) 6.412 19.000 ( 8.553 -0.000 -0.000) 8.553 19.185 ( -2.846 0.000 0.000) 2.846 19.728 ( -2.465 0.000 0.000) 2.465 19.886 ( -0.969 0.000 0.000) 0.969 20.074 ( -11.376 0.000 0.000) 11.376 20.626 ( -0.654 0.000 0.000) 0.654 20.791 ( -5.771 0.000 0.000) 5.771 21.395 ( 3.432 -0.000 -0.000) 3.432 22.126 ( -1.793 0.000 0.000) 1.793 22.141 ( -4.676 0.000 0.000) 4.676 29.028 ( -8.443 0.000 0.000) 8.443 29.347 ( -2.732 0.000 0.000) 2.732 29.706 ( -9.929 0.000 0.000) 9.929 29.814 ( 5.867 -0.000 -0.000) 5.867 37.382 ( 20.239 -0.000 -0.000) 20.239 37.578 ( 1.415 -0.000 -0.000) 1.415 38.067 ( 12.294 -0.000 -0.000) 12.294 39.079 ( -0.551 0.000 0.000) 0.551 39.225 ( -1.052 0.000 0.000) 1.052 39.747 ( -10.514 0.000 0.000) 10.514 40.073 ( -6.282 0.000 0.000) 6.282 43.057 ( 2.375 -0.000 -0.000) 2.375 ======================= Grid point 40 (24/85) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -0.000 -6.313 -3.102) 7.034 2.912 ( -0.000 -1.370 -10.938) 11.023 3.342 ( -0.000 1.901 -11.935) 12.085 3.713 ( 0.000 2.264 3.644) 4.290 5.804 ( 0.000 7.151 6.627) 9.750 6.045 ( -0.000 -5.930 -5.377) 8.005 6.488 ( -0.000 1.905 -2.727) 3.327 7.116 ( 0.000 4.127 9.025) 9.923 7.422 ( 0.000 27.815 6.004) 28.456 7.556 ( -0.000 1.891 -3.067) 3.603 7.947 ( -0.000 -7.497 -3.732) 8.375 8.153 ( 0.000 1.369 8.925) 9.030 8.415 ( -0.000 -18.469 -1.282) 18.514 8.671 ( 0.000 1.699 3.608) 3.988 9.045 ( 0.000 -8.434 3.561) 9.155 9.454 ( -0.000 5.206 -3.688) 6.380 9.837 ( 0.000 -0.442 15.199) 15.205 10.059 ( 0.000 6.067 1.460) 6.240 10.236 ( 0.000 5.037 2.896) 5.810 10.520 ( -0.000 7.109 -4.959) 8.668 10.889 ( 0.000 6.901 10.984) 12.971 11.144 ( 0.000 1.701 5.619) 5.871 11.542 ( -0.000 -3.817 -4.273) 5.729 11.825 ( -0.000 1.279 -2.388) 2.709 12.101 ( 0.000 -3.622 0.748) 3.699 12.334 ( 0.000 -2.834 8.456) 8.918 12.655 ( -0.000 1.319 -10.131) 10.217 13.093 ( -0.000 -13.508 -12.647) 18.505 13.349 ( 0.000 1.149 11.249) 11.307 14.061 ( 0.000 0.325 2.487) 2.508 14.089 ( 0.000 -2.741 1.061) 2.940 14.346 ( -0.000 -10.029 -18.188) 20.770 14.917 ( -0.000 4.191 -1.189) 4.356 15.109 ( -0.000 -1.491 -1.846) 2.373 15.410 ( 0.000 2.516 0.599) 2.587 15.662 ( -0.000 7.082 -3.590) 7.940 18.141 ( 0.000 5.796 1.610) 6.015 18.431 ( -0.000 1.688 -2.161) 2.742 18.754 ( 0.000 7.520 6.650) 10.039 19.333 ( -0.000 -3.845 -6.924) 7.920 19.741 ( -0.000 8.929 -1.238) 9.014 19.974 ( -0.000 -12.603 -3.238) 13.012 20.349 ( -0.000 -3.923 -0.788) 4.002 20.602 ( -0.000 1.818 -0.354) 1.852 20.909 ( 0.000 -3.063 2.329) 3.848 21.314 ( 0.000 -1.971 2.303) 3.032 21.983 ( 0.000 12.302 6.273) 13.809 22.454 ( -0.000 -18.864 -8.714) 20.780 29.264 ( 0.000 7.961 0.578) 7.982 29.402 ( 0.000 -3.730 1.592) 4.056 29.565 ( 0.000 1.121 1.192) 1.636 29.915 ( 0.000 -0.584 0.544) 0.798 36.975 ( -0.000 -0.704 -0.659) 0.964 37.609 ( -0.000 -1.169 -2.641) 2.888 37.839 ( -0.000 -4.569 -4.831) 6.649 39.055 ( 0.000 -6.245 6.496) 9.011 39.279 ( -0.000 6.959 -6.670) 9.639 39.864 ( 0.000 16.153 3.000) 16.429 40.223 ( 0.000 -8.835 2.204) 9.106 42.895 ( 0.000 3.212 12.935) 13.328 ======================= Grid point 42 (25/85) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -3.230 0.000 0.000) 3.230 2.789 ( -3.482 0.000 0.000) 3.482 3.225 ( -4.951 0.000 0.000) 4.951 3.719 ( -6.213 0.000 0.000) 6.213 5.761 ( -16.730 0.000 0.000) 16.730 5.936 ( -8.615 0.000 0.000) 8.615 6.521 ( 6.252 -0.000 -0.000) 6.252 7.253 ( 5.229 -0.000 -0.000) 5.229 7.371 ( -5.488 0.000 0.000) 5.488 7.728 ( -8.650 0.000 0.000) 8.650 7.785 ( -2.558 0.000 0.000) 2.558 8.296 ( -2.434 0.000 0.000) 2.434 8.326 ( 10.817 -0.000 -0.000) 10.817 8.682 ( 1.372 -0.000 -0.000) 1.372 9.048 ( -4.773 0.000 0.000) 4.773 9.486 ( 7.925 -0.000 -0.000) 7.925 9.771 ( -26.518 0.000 0.000) 26.518 10.088 ( -0.046 0.000 0.000) 0.046 10.260 ( -4.442 0.000 0.000) 4.442 10.486 ( -1.288 0.000 0.000) 1.288 11.060 ( -10.707 0.000 0.000) 10.707 11.120 ( 6.833 -0.000 -0.000) 6.833 11.534 ( 5.224 -0.000 -0.000) 5.224 11.730 ( -12.645 0.000 0.000) 12.645 12.136 ( 6.651 -0.000 -0.000) 6.651 12.453 ( -14.715 0.000 0.000) 14.715 12.498 ( 7.169 -0.000 -0.000) 7.169 12.945 ( 5.057 -0.000 -0.000) 5.057 13.540 ( 4.140 -0.000 -0.000) 4.140 13.691 ( -17.931 0.000 0.000) 17.931 14.089 ( 0.914 -0.000 -0.000) 0.914 14.697 ( 51.136 -0.000 -0.000) 51.136 14.929 ( 0.793 -0.000 -0.000) 0.793 15.097 ( 1.328 -0.000 -0.000) 1.328 15.372 ( -6.847 0.000 0.000) 6.847 15.738 ( 11.604 -0.000 -0.000) 11.604 18.161 ( -1.459 0.000 0.000) 1.459 18.413 ( -2.216 0.000 0.000) 2.216 18.866 ( 2.557 -0.000 -0.000) 2.557 19.238 ( -1.244 0.000 0.000) 1.244 19.773 ( -1.058 0.000 0.000) 1.058 19.888 ( 0.279 -0.000 -0.000) 0.279 20.291 ( -5.684 0.000 0.000) 5.684 20.615 ( 1.099 -0.000 -0.000) 1.099 20.901 ( -2.699 0.000 0.000) 2.699 21.333 ( 1.484 -0.000 -0.000) 1.484 22.161 ( -0.921 0.000 0.000) 0.921 22.219 ( -1.699 0.000 0.000) 1.699 29.242 ( -7.987 0.000 0.000) 7.987 29.393 ( -1.029 0.000 0.000) 1.029 29.631 ( 7.189 -0.000 -0.000) 7.189 29.893 ( -4.133 0.000 0.000) 4.133 37.020 ( 8.456 -0.000 -0.000) 8.456 37.576 ( -0.940 0.000 0.000) 0.940 37.826 ( 6.548 -0.000 -0.000) 6.548 39.088 ( -0.183 0.000 0.000) 0.183 39.243 ( -0.421 0.000 0.000) 0.421 39.931 ( -4.175 0.000 0.000) 4.175 40.183 ( -2.504 0.000 0.000) 2.504 43.015 ( 0.993 -0.000 -0.000) 0.993 ======================= Grid point 93 (26/85) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.000 -0.000 32.871) 32.871 1.756 ( 0.000 -0.000 32.931) 32.931 2.689 ( 0.000 -0.000 27.217) 27.217 2.887 ( 0.000 -0.000 5.490) 5.490 3.941 ( 0.000 -0.000 28.900) 28.900 4.317 ( 0.000 -0.000 67.231) 67.231 6.632 ( -0.000 0.000 -15.896) 15.896 6.690 ( 0.000 -0.000 9.096) 9.096 7.002 ( 0.000 -0.000 12.593) 12.593 7.164 ( 0.000 -0.000 15.494) 15.494 7.291 ( -0.000 0.000 -7.403) 7.403 7.370 ( -0.000 0.000 -2.145) 2.145 7.715 ( 0.000 -0.000 8.519) 8.519 8.031 ( -0.000 0.000 -8.403) 8.403 8.955 ( -0.000 0.000 -4.964) 4.964 9.085 ( 0.000 -0.000 11.164) 11.164 9.247 ( -0.000 0.000 -10.848) 10.848 9.847 ( 0.000 -0.000 5.280) 5.280 9.999 ( -0.000 0.000 -1.017) 1.017 10.371 ( -0.000 0.000 -8.521) 8.521 10.800 ( -0.000 0.000 -4.006) 4.006 11.156 ( -0.000 0.000 -5.987) 5.987 11.613 ( 0.000 -0.000 4.022) 4.022 11.915 ( -0.000 0.000 -9.958) 9.958 12.046 ( -0.000 0.000 -7.729) 7.729 12.250 ( 0.000 -0.000 4.425) 4.425 12.592 ( 0.000 -0.000 23.012) 23.012 14.030 ( -0.000 0.000 -11.043) 11.043 14.302 ( -0.000 0.000 -6.064) 6.064 14.347 ( -0.000 0.000 -9.071) 9.071 14.896 ( -0.000 0.000 -0.825) 0.825 14.911 ( -0.000 0.000 -2.551) 2.551 15.109 ( -0.000 0.000 -1.382) 1.382 15.357 ( -0.000 0.000 -10.022) 10.022 16.079 ( 0.000 -0.000 2.559) 2.559 16.285 ( -0.000 0.000 -13.404) 13.404 17.507 ( -0.000 0.000 -6.649) 6.649 18.063 ( 0.000 -0.000 5.002) 5.002 18.914 ( -0.000 0.000 -10.770) 10.770 19.650 ( -0.000 0.000 -0.073) 0.073 19.678 ( 0.000 -0.000 0.855) 0.855 19.957 ( 0.000 -0.000 12.063) 12.063 20.416 ( -0.000 0.000 -0.915) 0.915 20.489 ( 0.000 -0.000 0.096) 0.096 21.174 ( 0.000 -0.000 1.618) 1.618 21.412 ( -0.000 0.000 -5.417) 5.417 21.674 ( 0.000 -0.000 0.888) 0.888 24.426 ( -0.000 0.000 -9.957) 9.957 28.739 ( 0.000 -0.000 1.658) 1.658 29.210 ( 0.000 -0.000 2.090) 2.090 29.258 ( 0.000 -0.000 3.038) 3.038 29.944 ( 0.000 -0.000 1.253) 1.253 37.547 ( -0.000 0.000 -6.378) 6.378 37.695 ( -0.000 0.000 -3.103) 3.103 38.552 ( 0.000 -0.000 4.540) 4.540 38.820 ( -0.000 0.000 -9.656) 9.656 38.932 ( 0.000 -0.000 3.793) 3.793 39.397 ( -0.000 0.000 -5.541) 5.541 39.559 ( 0.000 -0.000 14.300) 14.300 40.551 ( 0.000 -0.000 26.821) 26.821 ======================= Grid point 94 (27/85) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -6.962 -4.020 27.864) 29.001 2.347 ( 2.317 1.338 20.578) 20.751 3.057 ( 17.618 10.172 13.493) 24.412 3.182 ( 12.357 7.134 11.938) 18.604 4.492 ( 9.348 5.397 34.321) 35.978 5.436 ( 7.662 4.424 59.637) 60.290 6.209 ( -0.255 -0.147 -31.384) 31.386 6.722 ( -14.068 -8.122 2.878) 16.497 6.991 ( -14.175 -8.184 4.411) 16.951 7.229 ( 1.813 1.047 9.468) 9.697 7.292 ( 5.718 3.301 2.094) 6.927 7.841 ( 26.379 15.230 14.140) 33.581 7.876 ( -2.180 -1.259 8.983) 9.329 8.075 ( 8.446 4.876 8.134) 12.700 8.816 ( -3.924 -2.265 -6.778) 8.153 9.101 ( -4.174 -2.410 -3.578) 6.002 9.284 ( 3.803 2.196 7.302) 8.520 9.892 ( 3.405 1.966 -0.736) 4.001 9.941 ( -3.784 -2.185 -2.669) 5.120 10.329 ( 7.714 4.454 -4.984) 10.207 10.682 ( -8.215 -4.743 -2.357) 9.774 11.160 ( 0.872 0.503 4.984) 5.085 11.614 ( -4.170 -2.407 -4.311) 6.463 11.753 ( 1.309 0.756 -6.465) 6.639 11.933 ( 2.573 1.485 -5.656) 6.389 12.260 ( -6.298 -3.636 3.463) 8.055 12.973 ( 5.786 3.340 19.080) 20.216 13.728 ( -13.789 -7.961 -14.540) 21.563 14.173 ( 0.509 0.294 -5.632) 5.662 14.272 ( 2.298 1.327 -8.029) 8.456 14.811 ( -2.608 -1.506 -4.003) 5.010 14.907 ( 4.813 2.779 -3.241) 6.433 15.121 ( 2.363 1.364 -7.444) 7.928 15.230 ( 2.866 1.654 -6.499) 7.293 15.903 ( -14.622 -8.442 -11.917) 20.666 16.133 ( 2.508 1.448 -5.012) 5.789 17.493 ( 8.835 5.101 -5.007) 11.364 18.150 ( 1.339 0.773 4.893) 5.132 18.785 ( 4.100 2.367 -10.689) 11.690 19.612 ( -3.375 -1.948 -0.183) 3.901 19.706 ( 1.757 1.015 -0.435) 2.075 20.133 ( -1.943 -1.122 12.141) 12.347 20.378 ( -3.332 -1.924 -0.177) 3.852 20.494 ( -0.177 -0.102 0.500) 0.540 21.191 ( -0.879 -0.507 1.709) 1.988 21.314 ( -0.976 -0.564 -5.310) 5.429 21.689 ( 0.641 0.370 0.046) 0.741 24.032 ( -24.749 -14.289 -6.935) 29.407 28.780 ( 1.234 0.712 1.951) 2.416 29.268 ( 2.348 1.356 2.452) 3.656 29.313 ( 0.688 0.397 3.694) 3.778 29.947 ( -2.172 -1.254 1.422) 2.883 37.500 ( 7.950 4.590 -9.662) 13.327 37.735 ( 9.069 5.236 -5.680) 11.913 38.623 ( -2.644 -1.527 5.946) 6.684 38.695 ( 3.708 2.141 -9.363) 10.296 39.022 ( 5.351 3.090 0.712) 6.220 39.361 ( 6.731 3.886 -6.945) 10.423 39.793 ( -1.476 -0.852 16.667) 16.754 41.012 ( 0.889 0.513 30.038) 30.056 ======================= Grid point 95 (28/85) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -12.716 -7.342 22.309) 26.707 2.496 ( -6.492 -3.748 8.252) 11.148 3.440 ( 9.613 5.550 3.663) 11.689 3.711 ( 29.111 16.807 9.386) 34.901 5.252 ( 13.872 8.009 34.008) 37.591 5.501 ( -3.726 -2.151 -31.435) 31.728 6.295 ( -31.925 -18.432 3.568) 37.036 6.475 ( 5.630 3.250 25.183) 26.009 7.043 ( 0.790 0.456 16.231) 16.257 7.321 ( 0.471 0.272 -1.063) 1.195 7.485 ( 9.335 5.389 5.133) 11.939 8.015 ( 0.694 0.401 10.399) 10.430 8.289 ( -1.409 -0.813 15.702) 15.787 8.508 ( 22.378 12.920 9.907) 27.674 8.716 ( 1.565 0.903 -2.370) 2.980 8.944 ( -6.752 -3.898 0.261) 7.801 9.494 ( 6.881 3.973 8.522) 11.652 9.775 ( -0.938 -0.542 -10.325) 10.381 9.998 ( 2.511 1.450 3.524) 4.563 10.412 ( 2.929 1.691 -2.740) 4.353 10.505 ( -6.644 -3.836 2.175) 7.974 11.235 ( -2.070 -1.195 2.518) 3.472 11.426 ( 0.185 0.107 -9.043) 9.046 11.753 ( 1.736 1.002 0.093) 2.007 12.008 ( 7.321 4.227 5.349) 10.003 12.205 ( -6.355 -3.669 4.159) 8.435 13.100 ( -21.816 -12.596 -15.262) 29.454 13.393 ( 5.572 3.217 10.014) 11.903 14.067 ( -8.217 -4.744 -10.781) 14.361 14.188 ( 8.104 4.679 -5.043) 10.630 14.755 ( 0.793 0.458 -1.046) 1.390 14.888 ( 5.343 3.085 -15.419) 16.608 15.001 ( -1.106 -0.638 -1.938) 2.321 15.221 ( 1.674 0.966 -1.840) 2.669 15.474 ( -7.666 -4.426 -14.272) 16.794 16.116 ( 2.541 1.467 -2.290) 3.722 17.594 ( 10.554 6.093 -2.852) 12.516 18.253 ( 1.900 1.097 4.165) 4.708 18.704 ( 5.873 3.391 -9.579) 11.736 19.553 ( -3.820 -2.205 0.200) 4.415 19.702 ( 0.721 0.416 -2.996) 3.109 20.256 ( -3.913 -2.259 8.463) 9.594 20.322 ( -4.129 -2.384 1.992) 5.167 20.474 ( -3.782 -2.183 -0.108) 4.368 21.181 ( -0.289 -0.167 -1.135) 1.183 21.262 ( 0.035 0.020 -0.198) 0.202 21.693 ( 0.610 0.352 -0.812) 1.075 23.539 ( -23.563 -13.604 -5.614) 27.781 28.827 ( 0.559 0.323 1.941) 2.046 29.327 ( -0.182 -0.105 2.557) 2.565 29.420 ( 5.327 3.075 3.906) 7.286 29.917 ( -4.150 -2.396 1.077) 4.912 37.483 ( 9.517 5.495 -10.191) 14.988 37.775 ( 7.406 4.276 -6.129) 10.521 38.561 ( 5.698 3.290 -12.653) 14.261 38.731 ( -4.484 -2.589 10.327) 11.552 39.098 ( 3.934 2.271 -0.478) 4.568 39.376 ( 10.302 5.948 -9.355) 15.134 40.009 ( -3.905 -2.254 16.179) 16.795 41.482 ( -2.290 -1.322 31.678) 31.788 ======================= Grid point 96 (29/85) ======================= q-point: (-0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -17.353 -10.019 18.243) 27.098 2.456 ( -7.683 -4.436 1.603) 9.016 3.506 ( 3.276 1.891 -9.269) 10.011 4.130 ( 21.196 12.237 -18.683) 30.791 4.978 ( -9.703 -5.602 -6.007) 12.713 5.659 ( -30.257 -17.469 2.591) 35.034 6.124 ( 13.864 8.004 23.841) 28.717 6.675 ( -1.653 -0.954 2.337) 3.017 7.204 ( -5.321 -3.072 -4.160) 7.420 7.465 ( 5.960 3.441 18.390) 19.636 7.689 ( 2.615 1.510 5.767) 6.510 8.071 ( -6.131 -3.540 2.631) 7.553 8.406 ( -9.165 -5.291 7.235) 12.819 8.687 ( 2.113 1.220 4.920) 5.492 8.966 ( -0.598 -0.345 10.566) 10.588 9.064 ( 16.836 9.720 8.403) 21.178 9.510 ( -6.417 -3.705 -2.332) 7.768 9.821 ( -8.956 -5.171 3.100) 10.797 9.945 ( 7.385 4.264 -1.989) 8.757 10.329 ( -8.406 -4.853 7.325) 12.160 10.596 ( 7.453 4.303 -1.972) 8.828 11.219 ( 7.370 4.255 -6.741) 10.857 11.396 ( 2.048 1.182 1.451) 2.775 11.774 ( 0.438 0.253 -1.601) 1.679 12.202 ( -5.050 -2.915 9.528) 11.171 12.300 ( 7.813 4.511 11.871) 14.910 12.438 ( -23.759 -13.717 -14.478) 31.020 13.647 ( 8.898 5.137 -5.009) 11.431 13.672 ( -9.570 -5.525 -8.629) 14.021 14.270 ( 9.647 5.570 -7.521) 13.441 14.526 ( -8.848 -5.108 -11.906) 15.689 14.921 ( 11.279 6.512 1.399) 13.098 15.023 ( 2.878 1.662 0.162) 3.328 15.164 ( -0.556 -0.321 -4.717) 4.761 15.359 ( 8.420 4.861 -3.420) 10.307 16.166 ( 4.790 2.765 2.422) 6.038 17.725 ( 8.827 5.096 -0.392) 10.200 18.288 ( -1.769 -1.021 -0.834) 2.206 18.721 ( 10.057 5.806 -3.481) 12.123 19.504 ( -3.188 -1.840 0.996) 3.813 19.633 ( -0.042 -0.024 -6.619) 6.619 20.219 ( -5.777 -3.335 -0.041) 6.670 20.339 ( -6.549 -3.781 1.972) 7.815 20.372 ( -4.403 -2.542 1.762) 5.380 21.182 ( 0.332 0.192 -0.223) 0.444 21.279 ( 0.072 0.042 2.800) 2.801 21.686 ( 0.790 0.456 -1.280) 1.572 23.122 ( -16.208 -9.357 -7.171) 20.042 28.854 ( -0.713 -0.412 1.693) 1.882 29.346 ( -1.907 -1.101 2.095) 3.039 29.583 ( 6.936 4.004 3.843) 8.883 29.844 ( -6.571 -3.794 0.420) 7.599 37.503 ( 11.239 6.489 -8.164) 15.332 37.785 ( 5.626 3.248 -5.884) 8.765 38.462 ( 8.008 4.624 -13.884) 16.682 38.821 ( -5.153 -2.975 10.849) 12.374 39.146 ( 1.581 0.913 1.371) 2.283 39.381 ( 8.980 5.185 -10.160) 14.518 40.153 ( -7.090 -4.093 13.254) 15.579 41.920 ( -5.785 -3.340 33.361) 34.023 ======================= Grid point 97 (30/85) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -10.025 -5.788 -3.871) 12.206 2.341 ( -20.440 -11.801 15.122) 28.031 3.247 ( -4.558 -2.632 -21.577) 22.210 3.748 ( -6.181 -3.568 -32.477) 33.252 4.816 ( -27.083 -15.636 0.941) 31.287 5.412 ( -1.987 -1.147 12.476) 12.685 6.576 ( -2.595 -1.498 4.518) 5.421 6.718 ( 7.858 4.537 10.377) 13.784 7.040 ( -3.431 -1.981 -6.129) 7.298 7.565 ( -17.679 -10.207 -3.937) 20.790 7.707 ( -8.377 -4.836 5.785) 11.271 8.040 ( -8.705 -5.026 -4.908) 11.186 8.288 ( -6.965 -4.022 17.926) 19.648 8.800 ( -4.916 -2.838 6.967) 8.987 9.095 ( 2.342 1.352 5.236) 5.893 9.269 ( 2.253 1.301 -0.544) 2.657 9.324 ( -12.579 -7.263 -6.672) 15.984 9.721 ( -0.221 -0.128 9.419) 9.422 10.135 ( -2.464 -1.422 7.622) 8.136 10.388 ( 3.699 2.136 5.796) 7.200 10.641 ( 6.521 3.765 -4.570) 8.808 11.267 ( 9.215 5.320 -4.301) 11.476 11.486 ( 1.366 0.789 4.457) 4.728 11.558 ( -13.880 -8.013 -13.215) 20.772 11.973 ( -13.965 -8.063 0.936) 16.153 12.324 ( -0.861 -0.497 4.691) 4.795 12.717 ( 17.620 10.173 15.977) 25.870 13.256 ( -2.233 -1.289 -21.331) 21.487 13.812 ( 3.228 1.863 -2.099) 4.277 14.151 ( 4.028 2.326 -6.929) 8.346 14.442 ( 6.253 3.610 -3.592) 8.064 15.004 ( 4.383 2.531 -6.958) 8.604 15.096 ( 2.628 1.517 1.639) 3.449 15.212 ( 11.806 6.816 -1.416) 13.705 15.556 ( 12.886 7.439 6.364) 16.183 16.390 ( 9.140 5.277 13.590) 17.207 17.858 ( 5.830 3.366 2.266) 7.103 18.195 ( -3.563 -2.057 -4.466) 6.072 18.889 ( 11.233 6.485 1.560) 13.064 19.488 ( -1.722 -0.994 1.994) 2.816 19.500 ( 0.887 0.512 -10.881) 10.930 20.086 ( -9.461 -5.462 -1.855) 11.081 20.180 ( -6.361 -3.672 -3.822) 8.279 20.391 ( -2.538 -1.465 3.623) 4.660 21.129 ( -3.492 -2.016 -3.300) 5.211 21.369 ( 1.523 0.879 5.945) 6.199 21.688 ( 1.442 0.833 -0.298) 1.692 22.788 ( -9.530 -5.502 -10.199) 15.004 28.858 ( -1.753 -1.012 1.431) 2.479 29.333 ( -2.979 -1.720 1.304) 3.679 29.708 ( -6.030 -3.481 0.116) 6.963 29.756 ( 2.910 1.680 2.885) 4.429 37.591 ( 12.396 7.157 -5.376) 15.290 37.779 ( 5.119 2.955 -5.163) 7.848 38.394 ( 9.781 5.647 -13.131) 17.320 38.896 ( -2.684 -1.550 6.764) 7.440 39.199 ( -1.509 -0.871 5.504) 5.773 39.350 ( 5.371 3.101 -8.388) 10.432 40.185 ( -10.257 -5.922 8.704) 14.698 42.345 ( -7.143 -4.124 35.325) 36.276 ======================= Grid point 98 (31/85) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -17.823 -10.290 -11.196) 23.429 2.201 ( -23.149 -13.365 10.137) 28.587 2.829 ( -10.233 -5.908 -10.928) 16.095 3.122 ( -17.525 -10.118 -22.809) 30.492 4.286 ( -34.875 -20.135 0.336) 40.271 5.668 ( 5.540 3.199 9.341) 11.322 6.362 ( -32.653 -18.852 -3.812) 37.897 6.798 ( -21.128 -12.198 -7.708) 25.586 6.927 ( 0.493 0.285 2.602) 2.664 7.154 ( -9.952 -5.746 5.721) 12.836 7.384 ( -14.001 -8.083 -5.244) 16.996 8.080 ( 11.465 6.619 -2.033) 13.394 8.459 ( -16.361 -9.446 10.177) 21.459 8.722 ( -8.476 -4.894 4.067) 10.599 9.040 ( 2.068 1.194 -10.299) 10.572 9.111 ( -11.152 -6.439 7.991) 15.156 9.484 ( 5.231 3.020 10.240) 11.889 9.694 ( -6.982 -4.031 -2.763) 8.522 10.242 ( -1.134 -0.655 5.391) 5.548 10.371 ( -4.483 -2.588 -2.497) 5.748 10.792 ( 10.973 6.335 3.129) 13.052 11.129 ( -4.695 -2.711 -11.438) 12.657 11.409 ( 7.134 4.119 2.221) 8.531 11.589 ( 1.909 1.102 -1.762) 2.822 11.810 ( -7.729 -4.462 2.007) 9.147 12.352 ( -2.846 -1.643 4.283) 5.399 12.877 ( -9.735 -5.620 -11.615) 16.164 13.291 ( 19.833 11.450 8.131) 24.301 13.753 ( 10.612 6.127 -8.537) 14.934 14.298 ( 9.612 5.549 3.605) 11.669 14.481 ( 6.621 3.822 -4.936) 9.100 14.959 ( 3.635 2.099 -5.919) 7.256 15.186 ( 6.599 3.810 0.990) 7.684 15.351 ( 11.654 6.728 -5.009) 14.359 15.909 ( 14.037 8.104 9.124) 18.600 16.891 ( 14.708 8.492 25.174) 30.368 17.981 ( 2.412 1.392 5.536) 6.197 18.060 ( -4.342 -2.507 -4.253) 6.574 19.089 ( 8.753 5.054 2.131) 10.330 19.327 ( 2.657 1.534 -14.059) 14.390 19.523 ( 1.280 0.739 2.683) 3.064 19.884 ( -11.228 -6.483 -1.984) 13.116 20.018 ( -6.099 -3.521 -4.743) 8.491 20.402 ( -1.190 -0.687 2.038) 2.458 20.979 ( -5.848 -3.376 -6.246) 9.199 21.473 ( 1.609 0.929 3.536) 3.994 21.737 ( 1.365 0.788 4.170) 4.458 22.478 ( -6.635 -3.831 -13.806) 15.789 28.844 ( -2.540 -1.467 1.300) 3.208 29.296 ( -3.375 -1.949 0.655) 3.952 29.550 ( -10.044 -5.799 -0.961) 11.638 29.868 ( 3.319 1.916 2.266) 4.452 37.664 ( 6.263 3.616 -6.347) 9.622 37.860 ( 11.958 6.904 -0.238) 13.809 38.370 ( 10.619 6.131 -10.860) 16.380 38.943 ( 1.177 0.680 0.891) 1.625 39.261 ( -1.675 -0.967 4.557) 4.951 39.307 ( -1.501 -0.867 0.030) 1.734 40.101 ( -12.205 -7.046 3.950) 14.636 42.792 ( -3.861 -2.229 33.051) 33.350 ======================= Grid point 99 (32/85) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -27.305 -15.764 7.734) 32.463 1.905 ( -27.674 -15.978 5.018) 32.347 2.507 ( -19.469 -11.241 -16.626) 27.961 2.648 ( -16.537 -9.547 12.769) 22.971 3.777 ( -31.203 -18.015 3.055) 36.159 5.241 ( -73.166 -42.243 -0.267) 84.485 5.963 ( 10.729 6.195 0.505) 12.399 6.565 ( -1.861 -1.075 -3.766) 4.336 6.946 ( -5.124 -2.958 5.524) 8.095 7.121 ( -9.262 -5.348 -1.666) 10.824 7.254 ( -2.498 -1.442 8.283) 8.771 8.078 ( -18.731 -10.814 -4.470) 22.086 8.246 ( 4.354 2.514 -1.026) 5.132 8.585 ( -12.496 -7.215 -5.993) 15.624 8.983 ( 4.754 2.745 -8.617) 10.217 9.092 ( -12.633 -7.294 14.079) 20.273 9.377 ( -11.766 -6.793 -2.443) 13.804 9.843 ( 9.291 5.364 7.514) 13.098 10.056 ( -8.566 -4.945 -5.717) 11.424 10.476 ( 6.435 3.715 3.164) 8.076 10.990 ( 8.101 4.677 4.125) 10.224 11.024 ( 7.988 4.612 -11.807) 14.983 11.388 ( -2.844 -1.642 -13.171) 13.574 11.556 ( 4.305 2.485 3.844) 6.283 11.885 ( -4.399 -2.540 13.228) 14.169 12.371 ( -3.675 -2.122 2.239) 4.798 12.573 ( -13.960 -8.060 0.106) 16.121 13.492 ( 11.466 6.620 -6.012) 14.541 14.031 ( 21.227 12.255 2.015) 24.594 14.459 ( 6.038 3.486 0.101) 6.973 14.504 ( 6.694 3.865 -5.346) 9.398 14.952 ( 2.227 1.286 -1.265) 2.865 15.356 ( 12.626 7.290 1.149) 14.625 15.442 ( 11.874 6.856 -6.470) 15.161 16.223 ( 11.077 6.395 3.814) 13.347 17.461 ( 13.218 7.631 6.115) 16.442 17.932 ( -5.178 -2.990 -2.796) 6.601 18.176 ( 6.212 3.587 11.422) 13.487 19.102 ( -2.001 -1.155 1.406) 2.705 19.304 ( 8.472 4.891 -0.586) 9.800 19.603 ( 2.687 1.551 2.359) 3.897 19.687 ( -11.035 -6.371 1.289) 12.807 19.855 ( -7.027 -4.057 -1.347) 8.225 20.426 ( 1.025 0.592 1.450) 1.871 20.759 ( -7.247 -4.184 -7.852) 11.475 21.522 ( 2.022 1.167 -0.713) 2.441 21.873 ( 0.655 0.378 11.502) 11.527 22.148 ( -6.938 -4.006 -13.115) 15.368 28.817 ( -3.356 -1.937 1.212) 4.060 29.251 ( -3.119 -1.801 0.342) 3.618 29.382 ( -8.643 -4.990 -0.759) 10.009 29.923 ( 0.888 0.513 0.605) 1.191 37.638 ( 4.157 2.400 -6.517) 8.094 38.097 ( 13.439 7.759 2.609) 15.736 38.396 ( 10.281 5.936 -7.274) 13.922 38.970 ( 3.790 2.188 -1.999) 4.812 39.237 ( 0.729 0.421 -4.470) 4.548 39.343 ( -8.755 -5.055 12.243) 15.877 39.945 ( -11.488 -6.633 1.745) 13.380 43.132 ( 2.207 1.274 2.792) 3.780 ======================= Grid point 100 (33/85) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -24.601 -14.204 26.620) 38.931 1.558 ( -31.875 -18.403 15.573) 39.965 2.083 ( -27.213 -15.712 18.289) 36.358 2.663 ( -15.195 -8.773 23.419) 29.262 3.396 ( -24.136 -13.935 4.188) 28.182 4.216 ( -55.258 -31.903 8.965) 64.433 6.192 ( 9.106 5.257 7.556) 12.948 6.551 ( 2.483 1.434 0.959) 3.023 6.911 ( -9.646 -5.569 5.444) 12.397 7.009 ( -7.243 -4.182 4.735) 9.611 7.323 ( -0.077 -0.044 2.646) 2.648 7.723 ( -14.781 -8.534 -3.037) 17.335 8.195 ( -18.408 -10.628 -4.027) 21.634 8.362 ( 8.451 4.879 -7.282) 12.176 8.863 ( -5.413 -3.125 -2.054) 6.579 9.041 ( -4.823 -2.784 0.593) 5.600 9.350 ( 1.868 1.078 5.469) 5.879 9.869 ( -5.442 -3.142 -3.027) 6.975 10.014 ( 1.438 0.830 -0.063) 1.662 10.627 ( 11.448 6.610 -1.133) 13.268 10.820 ( 0.847 0.489 -18.501) 18.526 11.242 ( 9.172 5.295 6.904) 12.642 11.303 ( 5.106 2.948 -0.306) 5.904 11.663 ( 2.317 1.338 4.567) 5.293 11.997 ( -9.623 -5.556 16.113) 19.572 12.240 ( -4.519 -2.609 -5.286) 7.427 12.478 ( -9.194 -5.308 5.444) 11.931 13.681 ( 14.740 8.510 5.065) 17.758 14.296 ( 13.060 7.540 -4.573) 15.758 14.497 ( 3.321 1.917 -3.108) 4.936 14.567 ( 9.735 5.621 -2.744) 11.572 14.966 ( -0.506 -0.292 0.546) 0.800 15.477 ( 9.955 5.748 -8.242) 14.145 15.663 ( 15.210 8.782 4.253) 18.071 16.338 ( 6.007 3.468 -9.018) 11.377 17.133 ( -22.695 -13.103 -43.448) 50.739 17.803 ( -3.400 -1.963 -3.840) 5.492 18.103 ( -9.019 -5.207 -5.753) 11.897 19.291 ( 1.122 0.648 -5.438) 5.590 19.546 ( 1.546 0.893 5.450) 5.735 19.642 ( 0.860 0.496 3.691) 3.822 19.716 ( -2.155 -1.244 4.969) 5.557 20.083 ( 19.973 11.531 43.243) 49.008 20.486 ( 0.918 0.530 2.547) 2.759 20.587 ( 1.906 1.100 2.251) 3.148 21.522 ( 2.062 1.190 -3.564) 4.286 21.809 ( -7.859 -4.537 -6.344) 11.072 22.377 ( 21.330 12.315 38.395) 45.616 28.775 ( -3.968 -2.291 1.079) 4.707 29.212 ( -2.319 -1.339 0.568) 2.737 29.268 ( -4.927 -2.845 0.265) 5.696 29.922 ( -0.451 -0.261 -0.647) 0.831 37.609 ( 4.478 2.585 -6.003) 7.923 38.303 ( 8.245 4.760 -0.483) 9.532 38.471 ( 8.665 5.003 -3.683) 10.662 39.013 ( 2.974 1.717 -0.008) 3.434 39.157 ( -2.473 -1.428 -4.296) 5.158 39.359 ( -7.759 -4.480 6.465) 11.048 39.846 ( -7.460 -4.307 6.214) 10.622 42.342 ( -42.038 -24.271 -83.927) 96.954 ======================= Grid point 103 (34/85) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 0.000 -11.590 17.923) 21.344 2.710 ( 0.000 7.594 18.272) 19.788 3.176 ( 0.000 9.881 10.857) 14.680 3.367 ( 0.000 19.584 6.074) 20.504 5.000 ( 0.000 12.591 31.480) 33.904 5.636 ( -0.000 -2.886 -30.635) 30.771 6.349 ( 0.000 1.656 45.659) 45.689 6.799 ( 0.000 -13.417 3.095) 13.769 7.039 ( 0.000 -14.354 4.886) 15.162 7.363 ( 0.000 4.884 5.251) 7.171 7.462 ( 0.000 11.314 9.343) 14.673 7.834 ( 0.000 17.475 5.569) 18.341 8.059 ( 0.000 5.820 9.906) 11.489 8.391 ( 0.000 0.024 27.806) 27.806 8.680 ( -0.000 -7.305 -6.188) 9.574 9.115 ( -0.000 9.652 -2.619) 10.001 9.340 ( 0.000 -3.181 0.535) 3.226 9.833 ( 0.000 -2.781 0.805) 2.896 9.954 ( 0.000 -1.505 1.059) 1.841 10.263 ( -0.000 8.444 -0.935) 8.495 10.677 ( -0.000 -3.890 -0.630) 3.941 11.250 ( 0.000 -10.723 3.003) 11.135 11.537 ( -0.000 5.618 -3.541) 6.641 11.715 ( -0.000 4.472 -0.707) 4.527 11.805 ( -0.000 3.813 -5.543) 6.728 12.348 ( 0.000 -2.786 3.861) 4.761 13.231 ( 0.000 3.505 13.848) 14.285 13.526 ( -0.000 -11.732 -14.438) 18.604 14.019 ( -0.000 -4.486 -7.776) 8.978 14.148 ( -0.000 -4.825 -5.670) 7.445 14.722 ( -0.000 -1.192 -8.244) 8.330 14.776 ( -0.000 -3.849 -4.587) 5.988 15.106 ( -0.000 10.761 -6.757) 12.707 15.129 ( -0.000 6.933 -5.246) 8.694 15.718 ( -0.000 -5.304 -18.763) 19.499 15.999 ( -0.000 -11.706 -2.557) 11.982 17.444 ( -0.000 13.526 -2.684) 13.790 18.224 ( 0.000 0.954 4.979) 5.070 18.629 ( -0.000 5.418 -10.104) 11.465 19.611 ( -0.000 -2.758 -0.698) 2.845 19.687 ( -0.000 1.711 -1.986) 2.621 20.314 ( 0.000 -3.004 9.632) 10.090 20.397 ( 0.000 -0.198 1.200) 1.216 20.505 ( 0.000 -0.674 1.774) 1.898 21.193 ( -0.000 -3.369 -2.899) 4.445 21.242 ( -0.000 -0.822 -0.430) 0.927 21.686 ( -0.000 1.336 -0.803) 1.559 23.876 ( -0.000 -20.483 -12.291) 23.887 28.823 ( 0.000 3.649 2.246) 4.285 29.306 ( 0.000 1.745 2.945) 3.423 29.374 ( 0.000 0.059 4.338) 4.338 29.973 ( 0.000 -2.602 1.722) 3.120 37.293 ( -0.000 -5.170 -6.674) 8.442 37.690 ( -0.000 14.665 -7.284) 16.374 38.466 ( -0.000 0.298 -12.683) 12.687 38.803 ( 0.000 0.436 9.398) 9.408 39.036 ( -0.000 8.967 -0.871) 9.009 39.271 ( -0.000 3.774 -4.102) 5.574 40.068 ( 0.000 -4.553 18.830) 19.372 41.511 ( 0.000 2.407 32.030) 32.120 ======================= Grid point 104 (35/85) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -1.743 -18.564 8.253) 20.390 2.871 ( -18.011 6.017 13.671) 23.399 3.386 ( 6.760 1.666 -1.101) 7.049 3.639 ( 15.016 26.785 -7.317) 31.567 5.188 ( -5.230 -2.298 -8.722) 10.426 5.696 ( 7.837 18.924 28.384) 35.002 6.515 ( -21.412 -15.407 -0.793) 26.390 6.720 ( -2.003 -5.193 3.053) 6.349 7.120 ( 5.696 -10.670 3.554) 12.607 7.483 ( -3.666 9.303 7.590) 12.553 7.707 ( -8.548 10.343 21.495) 25.339 8.088 ( 7.822 3.455 5.605) 10.224 8.352 ( 14.449 -1.010 3.681) 14.944 8.601 ( 1.349 4.259 4.952) 6.670 8.780 ( -1.816 -0.873 20.453) 20.552 9.138 ( -6.888 5.255 8.286) 11.988 9.418 ( 17.574 7.571 -2.040) 19.244 9.750 ( -11.187 -5.869 2.798) 12.939 10.046 ( 2.994 -3.165 5.063) 6.679 10.380 ( 4.237 9.031 1.922) 10.159 10.630 ( -8.307 -2.995 4.897) 10.097 11.080 ( 4.834 -10.246 -10.497) 15.445 11.503 ( -10.997 10.081 -1.364) 14.981 11.752 ( 0.808 1.656 0.880) 2.042 11.985 ( 15.151 6.076 8.699) 18.497 12.356 ( -6.035 -3.973 6.506) 9.723 13.033 ( -20.580 -12.959 -15.033) 28.591 13.472 ( 5.927 1.631 3.634) 7.141 13.895 ( -1.030 -11.497 -8.751) 14.485 14.029 ( 5.143 -0.170 -5.144) 7.276 14.520 ( 2.282 -11.483 -12.708) 17.279 14.765 ( 2.684 5.088 -0.381) 5.765 15.028 ( -2.517 10.411 -7.645) 13.159 15.162 ( 7.636 10.214 -7.724) 14.909 15.340 ( -10.986 -5.306 -9.660) 15.562 15.944 ( 11.668 -11.164 -3.460) 16.515 17.558 ( 3.721 15.939 0.034) 16.367 18.315 ( 0.113 1.850 4.158) 4.552 18.540 ( 3.645 6.053 -8.348) 10.937 19.566 ( -1.440 -2.349 -1.286) 3.041 19.650 ( -0.785 1.449 -3.983) 4.310 20.334 ( -2.902 -2.651 0.069) 3.932 20.439 ( -2.279 -3.622 5.904) 7.291 20.519 ( -4.980 -1.505 2.480) 5.763 21.123 ( 2.925 -4.210 -2.167) 5.565 21.268 ( 0.556 -0.486 2.589) 2.692 21.680 ( -0.050 2.381 -1.522) 2.827 23.473 ( -9.694 -19.140 -12.305) 24.733 28.884 ( -1.239 4.857 2.217) 5.481 29.371 ( 0.438 1.007 2.868) 3.071 29.457 ( 2.365 0.875 4.779) 5.404 29.961 ( -2.787 -3.567 1.585) 4.796 37.219 ( 8.921 -3.863 -6.332) 11.602 37.677 ( 2.458 10.448 -7.518) 13.104 38.289 ( 4.361 0.816 -13.964) 14.652 38.914 ( -1.665 2.108 4.667) 5.385 39.100 ( 1.744 10.217 -1.501) 10.473 39.278 ( 0.375 3.071 1.929) 3.646 40.291 ( -3.282 -8.407 17.661) 19.833 42.008 ( -1.728 2.681 30.635) 30.800 ======================= Grid point 105 (36/85) ======================= q-point: (-0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -3.752 -19.393 1.412) 19.803 2.853 ( -18.634 0.653 10.137) 21.223 3.300 ( -0.495 2.908 -16.200) 16.467 3.700 ( 8.070 9.809 -18.300) 22.277 5.174 ( -9.331 4.870 13.551) 17.158 5.983 ( -30.842 -14.119 3.444) 34.095 6.427 ( 7.623 14.520 20.485) 26.241 6.644 ( 1.959 -1.872 -5.821) 6.421 7.078 ( 0.908 1.549 -6.621) 6.861 7.616 ( 1.959 3.394 4.114) 5.682 7.880 ( -8.706 -2.714 4.753) 10.283 8.178 ( 0.034 -1.471 8.793) 8.915 8.538 ( 3.019 -4.037 4.772) 6.941 8.690 ( 2.292 2.534 4.536) 5.679 9.072 ( 0.685 -1.402 7.911) 8.064 9.307 ( -6.902 2.906 15.783) 17.469 9.594 ( -4.978 2.458 4.851) 7.372 9.778 ( 10.172 -7.711 6.945) 14.531 10.003 ( -6.446 -0.140 2.295) 6.844 10.498 ( 0.725 2.451 1.770) 3.109 10.580 ( -8.440 1.455 3.557) 9.273 11.053 ( 9.116 4.845 -3.193) 10.806 11.458 ( -2.146 5.987 0.609) 6.389 11.759 ( -3.119 -0.062 -2.215) 3.826 12.282 ( 5.001 -1.462 3.041) 6.033 12.391 ( -3.211 -6.661 2.828) 7.917 12.524 ( -15.388 -5.808 4.849) 17.147 13.346 ( -7.052 -6.877 -19.702) 22.027 13.734 ( 1.555 -1.142 1.219) 2.282 14.029 ( 8.834 1.564 -11.806) 14.828 14.294 ( 5.442 -9.704 -7.910) 13.651 14.865 ( 6.229 4.649 -3.637) 8.581 14.972 ( 4.983 8.719 -5.695) 11.545 15.128 ( -2.554 5.144 -2.711) 6.351 15.301 ( 7.741 5.848 2.157) 9.938 16.038 ( 19.009 -8.787 1.971) 21.034 17.729 ( 3.426 14.834 2.458) 15.422 18.303 ( -4.904 0.850 -2.597) 5.614 18.612 ( 10.409 7.531 -0.052) 12.848 19.493 ( -0.811 -2.047 -5.678) 6.091 19.578 ( -3.320 1.621 -2.028) 4.215 20.257 ( -4.555 -4.135 -1.087) 6.247 20.385 ( -8.922 -6.478 -1.158) 11.086 20.484 ( -4.719 -0.854 4.372) 6.489 21.121 ( 3.803 -5.249 -1.475) 6.648 21.333 ( 1.178 -0.468 5.107) 5.262 21.678 ( -0.318 4.565 -1.094) 4.704 23.043 ( -10.117 -15.102 -12.016) 21.790 28.921 ( -3.239 4.327 1.928) 5.739 29.401 ( -2.210 -1.029 2.483) 3.480 29.595 ( 5.873 2.566 4.490) 7.826 29.903 ( -5.840 -4.453 1.041) 7.417 37.250 ( 13.821 -1.208 -5.038) 14.761 37.661 ( 3.912 6.188 -6.889) 10.052 38.155 ( 8.192 1.771 -13.863) 16.200 38.945 ( -1.038 6.101 -1.648) 6.404 39.151 ( 3.643 8.188 -4.342) 9.959 39.375 ( -4.783 0.946 11.336) 12.340 40.406 ( -7.026 -11.861 13.871) 19.556 42.450 ( -2.291 2.388 27.371) 27.570 ======================= Grid point 106 (37/85) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -7.075 -20.150 -2.057) 21.455 2.730 ( -17.384 -7.264 2.400) 18.993 3.025 ( -6.794 2.821 -10.050) 12.455 3.473 ( -9.867 1.659 -13.363) 16.694 5.153 ( -30.699 -8.633 6.894) 32.627 5.669 ( -13.194 -0.776 6.754) 14.843 6.559 ( 2.064 0.593 -3.480) 4.090 6.871 ( 1.505 9.024 7.533) 11.851 7.071 ( -0.231 8.992 5.941) 10.779 7.633 ( -7.437 -6.747 -2.081) 10.255 7.769 ( 0.284 1.166 -0.304) 1.238 8.206 ( -34.235 -15.433 1.889) 37.601 8.486 ( 3.937 -2.027 6.314) 7.712 8.813 ( 5.304 -5.506 0.812) 7.688 9.155 ( -6.492 -14.388 -5.283) 16.646 9.190 ( 0.186 4.823 6.031) 7.724 9.584 ( -18.145 -0.635 9.004) 20.266 9.891 ( -2.468 -1.375 8.783) 9.226 10.190 ( 8.213 0.475 7.271) 10.979 10.471 ( -2.510 -1.177 -1.933) 3.380 10.595 ( -3.810 10.490 2.798) 11.506 11.162 ( 6.397 5.213 -1.402) 8.370 11.469 ( -11.495 -4.756 -9.828) 15.853 11.569 ( -0.785 1.255 2.954) 3.305 12.116 ( -17.545 -8.866 -0.294) 19.660 12.368 ( 1.494 1.141 0.732) 2.018 12.711 ( 15.907 -6.619 4.304) 17.759 13.056 ( -1.124 7.884 -2.764) 8.429 13.656 ( 2.409 -6.977 -10.790) 13.073 14.043 ( 9.716 9.422 -2.507) 13.764 14.275 ( 11.441 -6.002 -3.862) 13.485 14.833 ( 6.620 7.312 -10.959) 14.744 15.082 ( 5.675 6.303 -0.578) 8.501 15.133 ( 0.407 4.299 -0.233) 4.324 15.565 ( 14.807 6.838 7.666) 18.021 16.365 ( 27.874 -6.221 10.531) 30.439 17.911 ( 2.052 12.086 4.352) 13.008 18.194 ( -6.274 0.781 -2.277) 6.720 18.823 ( 11.807 7.496 2.278) 14.170 19.334 ( -2.155 -1.568 -9.831) 10.186 19.554 ( -2.603 2.475 1.400) 3.855 20.135 ( -6.437 -5.584 -1.874) 8.725 20.190 ( -10.430 -6.899 -1.632) 12.612 20.485 ( -4.568 0.848 2.736) 5.392 21.056 ( -0.408 -7.020 -4.117) 8.148 21.421 ( 2.459 -2.053 3.314) 4.609 21.727 ( -0.375 7.783 3.093) 8.383 22.658 ( -7.805 -11.256 -12.199) 18.342 28.928 ( -4.434 2.996 1.707) 5.617 29.386 ( -3.721 -2.239 1.783) 4.694 29.743 ( 3.563 2.120 2.657) 4.924 29.797 ( -6.561 -4.751 0.987) 8.161 37.373 ( 16.441 1.627 -3.117) 16.813 37.645 ( 5.121 2.697 -5.746) 8.156 38.091 ( 11.255 4.325 -11.811) 16.879 38.936 ( -0.067 7.908 -4.711) 9.205 39.173 ( 3.575 7.401 -5.127) 9.687 39.502 ( -8.834 -2.114 15.473) 17.942 40.385 ( -10.414 -14.371 8.718) 19.773 42.829 ( -0.062 2.228 20.719) 20.838 ======================= Grid point 107 (38/85) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -12.126 -23.180 6.547) 26.967 2.439 ( -19.488 -10.367 0.223) 22.075 2.885 ( -10.752 -1.599 -2.128) 11.076 3.149 ( -21.730 3.176 0.205) 21.962 4.683 ( -42.300 -15.581 5.977) 45.473 5.744 ( 4.165 4.639 3.620) 7.209 6.526 ( -6.122 3.813 -1.335) 7.335 6.946 ( -12.644 1.678 5.774) 14.001 7.196 ( -30.932 -7.248 7.098) 32.553 7.365 ( -28.561 -11.225 2.621) 30.800 7.465 ( -16.075 -8.116 -0.155) 18.008 7.900 ( 13.189 3.900 -5.326) 14.749 8.503 ( -3.653 -23.706 -3.750) 24.277 8.795 ( -0.816 -1.734 0.021) 1.917 8.856 ( -2.978 -1.284 -7.810) 8.456 9.486 ( 6.539 5.458 3.041) 9.044 9.544 ( -8.359 5.885 13.100) 16.616 9.804 ( -19.498 -1.906 0.350) 19.594 10.262 ( -5.737 -8.014 -2.849) 10.259 10.397 ( -0.042 0.673 1.505) 1.649 10.751 ( 8.433 7.754 2.375) 11.699 10.988 ( -8.484 -2.983 -11.481) 14.584 11.351 ( 5.122 -1.008 0.043) 5.220 11.588 ( -5.613 4.626 -4.942) 8.794 11.934 ( -2.888 -2.865 6.911) 8.019 12.425 ( 0.932 -1.141 2.783) 3.149 12.830 ( -0.552 -4.371 3.342) 5.530 13.157 ( 11.562 -3.949 -3.111) 12.608 13.625 ( 9.792 13.247 0.245) 16.475 14.193 ( 13.594 5.178 -5.314) 15.487 14.338 ( 10.795 -4.222 -0.446) 11.600 14.828 ( 7.152 8.127 -6.494) 12.624 15.149 ( 2.367 4.420 -0.429) 5.032 15.185 ( 8.540 6.765 -5.221) 12.082 15.917 ( 14.343 3.181 8.132) 16.792 16.880 ( 33.528 -3.973 8.719) 34.870 18.040 ( -0.848 0.746 1.993) 2.291 18.138 ( -5.214 6.573 3.617) 9.137 19.046 ( 11.740 6.101 1.328) 13.297 19.164 ( -2.800 -1.100 -3.887) 4.915 19.588 ( -1.213 4.627 2.756) 5.520 19.969 ( -10.547 -5.735 -0.540) 12.017 20.018 ( -7.417 -6.834 -0.326) 10.090 20.478 ( -4.273 3.966 1.440) 6.005 20.894 ( -4.019 -7.931 -6.184) 10.830 21.458 ( 3.151 -1.393 -0.913) 3.564 21.870 ( -0.374 8.416 8.422) 11.913 22.315 ( -6.703 -8.952 -11.935) 16.356 28.913 ( -4.834 1.201 1.683) 5.258 29.343 ( -4.214 -2.572 1.148) 5.069 29.628 ( -10.974 -4.588 -0.482) 11.904 29.866 ( 3.990 0.898 1.627) 4.401 37.508 ( 8.720 4.772 -5.063) 11.156 37.701 ( 15.459 -0.420 -1.004) 15.498 38.123 ( 12.128 8.085 -7.630) 16.453 38.915 ( 1.161 7.564 -5.341) 9.333 39.184 ( 2.279 7.548 -4.639) 9.148 39.599 ( -11.091 -5.882 15.509) 19.954 40.243 ( -12.249 -15.070 4.606) 19.958 43.070 ( 2.704 1.454 3.419) 4.595 ======================= Grid point 108 (39/85) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -11.358 -24.720 19.381) 33.402 2.160 ( -23.555 -11.178 4.815) 26.513 2.649 ( -21.004 3.859 7.088) 22.501 3.114 ( -17.262 0.307 19.022) 25.689 4.183 ( -41.129 -15.917 8.605) 44.933 5.844 ( -17.803 -6.865 -2.978) 19.312 6.103 ( -54.296 -11.486 14.597) 57.385 6.567 ( -4.540 1.500 -1.276) 4.949 7.094 ( -4.467 -0.314 6.751) 8.101 7.227 ( -11.866 -3.152 2.790) 12.591 7.426 ( -7.246 -6.403 6.829) 11.838 7.955 ( 5.211 -2.336 -9.060) 10.710 8.169 ( -2.406 -13.527 -5.446) 14.780 8.684 ( -11.349 4.329 -4.521) 12.960 8.797 ( 3.962 5.411 -9.363) 11.517 9.431 ( -10.936 -5.612 -0.202) 12.294 9.480 ( -26.377 -3.638 6.533) 27.417 9.819 ( 12.003 -0.741 1.067) 12.073 10.087 ( -9.703 2.205 0.285) 9.954 10.398 ( 6.142 -3.448 -4.282) 8.243 10.791 ( -0.198 3.686 -11.132) 11.728 10.970 ( 11.680 6.936 4.463) 14.299 11.300 ( -2.321 2.730 -4.262) 5.568 11.593 ( 3.007 2.750 2.613) 4.841 12.066 ( 1.159 -4.161 9.866) 10.770 12.401 ( -4.068 -6.481 -1.406) 7.781 12.772 ( -14.122 -5.695 8.314) 17.349 13.283 ( 18.176 1.581 0.405) 18.249 13.919 ( 15.979 15.084 -0.614) 21.983 14.268 ( 14.685 -0.611 -7.513) 16.506 14.431 ( 4.940 4.148 -0.937) 6.518 14.906 ( 5.993 3.864 -0.982) 7.198 15.218 ( 8.119 5.321 -3.625) 10.362 15.290 ( 13.146 8.505 -2.336) 15.831 16.140 ( 9.818 -1.255 -0.040) 9.898 17.174 ( 17.774 -5.447 -13.334) 22.878 17.967 ( -8.544 -1.570 -2.463) 9.030 18.187 ( -0.128 -2.254 0.770) 2.386 19.150 ( 8.741 2.495 -2.102) 9.330 19.342 ( 9.598 0.698 16.170) 18.817 19.656 ( -1.431 3.866 2.571) 4.858 19.838 ( -9.313 -3.897 5.319) 11.411 19.943 ( -3.310 -4.377 8.434) 10.062 20.503 ( -2.349 9.522 2.007) 10.010 20.680 ( -5.542 -7.134 -6.093) 10.896 21.457 ( 3.280 0.120 -3.678) 4.930 21.989 ( -6.793 -5.260 -6.736) 10.918 22.135 ( 3.677 6.930 12.481) 14.742 28.882 ( -4.896 -1.017 1.739) 5.295 29.292 ( -3.944 -2.008 0.819) 4.501 29.461 ( -10.710 -3.066 -0.304) 11.144 29.912 ( 1.773 -0.264 -0.341) 1.825 37.520 ( 3.384 7.003 -5.849) 9.731 37.928 ( 20.564 -1.788 0.379) 20.645 38.253 ( 10.454 11.914 -2.516) 16.049 38.918 ( 3.361 5.416 -2.826) 6.973 39.182 ( 0.153 7.822 -4.677) 9.115 39.606 ( -12.282 -11.505 9.873) 19.511 40.082 ( -10.970 -11.881 7.066) 17.647 42.851 ( -8.447 -4.160 -33.098) 34.412 ======================= Grid point 109 (40/85) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -20.602 -6.346 3.956) 21.918 1.891 ( -11.031 -21.599 20.063) 31.476 2.817 ( -17.067 5.405 30.157) 35.071 3.287 ( -18.819 -1.140 33.509) 38.448 3.752 ( -35.762 -16.297 11.312) 40.896 5.073 ( -68.267 -10.016 17.004) 71.062 6.235 ( 9.236 0.294 9.768) 13.446 6.569 ( 0.274 3.635 -0.147) 3.648 7.060 ( -9.826 -7.930 4.041) 13.258 7.182 ( -7.208 -1.682 6.216) 9.666 7.330 ( -3.282 -12.098 2.046) 12.701 7.762 ( -7.741 0.586 -7.046) 10.483 8.098 ( 5.232 3.577 -9.342) 11.289 8.438 ( -25.186 7.721 -3.527) 26.578 8.749 ( 9.333 -1.183 -6.115) 11.221 9.175 ( -14.665 -2.047 1.439) 14.877 9.441 ( -4.742 -6.801 4.844) 9.602 9.841 ( 3.044 -4.495 -2.151) 5.839 10.030 ( -7.476 5.631 -0.698) 9.386 10.434 ( 11.686 -1.517 -3.061) 12.176 10.665 ( -0.488 7.291 -8.589) 11.277 11.189 ( 5.799 1.215 -0.534) 5.949 11.335 ( 7.005 8.880 4.500) 12.173 11.680 ( 3.545 -0.564 2.564) 4.412 12.161 ( 0.552 -3.484 -0.178) 3.532 12.239 ( -5.567 -12.070 2.740) 13.572 12.721 ( -16.413 -1.354 12.128) 20.452 13.575 ( 21.163 5.428 -0.108) 21.849 14.136 ( 12.326 8.234 -3.990) 15.351 14.329 ( 12.208 0.255 -5.428) 13.363 14.507 ( 4.763 9.549 -0.502) 10.683 14.949 ( 2.196 2.289 -2.186) 3.852 15.282 ( 8.606 3.207 -5.183) 10.545 15.549 ( 19.174 7.813 0.599) 20.713 16.115 ( 1.671 -4.286 -10.910) 11.841 16.751 ( -15.127 -14.564 -26.790) 34.039 17.818 ( -6.880 0.727 -2.727) 7.436 18.142 ( -5.793 -4.354 2.363) 7.622 19.172 ( 2.845 0.544 -7.248) 7.806 19.555 ( 3.107 -2.052 1.023) 3.861 19.690 ( -0.455 0.275 2.758) 2.808 19.839 ( -4.204 -3.490 8.120) 9.787 20.244 ( 11.394 -6.693 12.554) 18.227 20.500 ( -2.360 -4.332 -2.604) 5.578 20.743 ( 8.859 16.299 13.513) 22.951 21.423 ( 3.047 0.936 -5.964) 6.762 21.787 ( -5.202 -4.292 -3.226) 7.476 22.668 ( 26.893 11.255 26.063) 39.105 28.835 ( -4.893 -2.863 1.663) 5.908 29.254 ( -2.955 -0.622 1.135) 3.226 29.339 ( -7.820 -0.562 0.835) 7.884 29.908 ( 0.609 -0.723 -0.930) 1.326 37.529 ( 2.092 11.903 -5.534) 13.292 38.130 ( 15.520 -3.048 -1.145) 15.857 38.403 ( 5.460 10.786 -2.994) 12.454 39.003 ( 5.273 0.490 3.836) 6.539 39.129 ( -3.836 5.312 -6.294) 9.086 39.470 ( -8.684 -10.965 2.780) 14.261 40.065 ( -9.612 -7.667 12.720) 17.691 41.704 ( -47.517 -13.444 -54.757) 73.735 ======================= Grid point 113 (41/85) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 0.000 -21.731 2.984) 21.935 3.117 ( -0.000 4.160 -8.041) 9.053 3.327 ( -0.000 3.354 -2.157) 3.987 3.525 ( -0.000 16.027 -7.905) 17.870 5.315 ( 0.000 6.598 15.247) 16.614 6.215 ( 0.000 21.875 24.078) 32.531 6.542 ( 0.000 -15.398 -0.093) 15.398 6.578 ( -0.000 -3.923 -11.250) 11.914 7.056 ( -0.000 -5.815 -0.510) 5.837 7.651 ( 0.000 5.702 2.874) 6.385 7.997 ( 0.000 -1.234 1.135) 1.677 8.166 ( -0.000 1.897 -1.203) 2.246 8.355 ( 0.000 4.236 16.831) 17.356 8.720 ( 0.000 2.575 7.381) 7.818 9.086 ( 0.000 0.141 3.195) 3.198 9.225 ( 0.000 6.402 12.925) 14.424 9.578 ( 0.000 5.170 23.593) 24.153 9.839 ( 0.000 -9.582 4.978) 10.798 10.100 ( 0.000 2.215 4.138) 4.693 10.446 ( 0.000 5.424 1.175) 5.549 10.767 ( -0.000 -7.640 -5.137) 9.207 10.859 ( 0.000 2.979 9.009) 9.489 11.563 ( -0.000 11.819 -9.653) 15.260 11.787 ( 0.000 -0.290 3.463) 3.476 12.094 ( 0.000 4.194 10.353) 11.170 12.465 ( 0.000 -10.435 9.290) 13.971 12.884 ( -0.000 -9.514 -12.856) 15.994 13.359 ( -0.000 -2.938 -7.088) 7.673 13.755 ( -0.000 -10.063 -5.536) 11.485 13.884 ( -0.000 -0.689 -8.390) 8.418 14.300 ( -0.000 -7.842 -5.032) 9.318 14.777 ( -0.000 6.715 -15.713) 17.087 14.827 ( -0.000 1.757 -6.331) 6.570 15.092 ( -0.000 13.215 -4.703) 14.027 15.349 ( 0.000 -3.482 3.046) 4.627 15.709 ( -0.000 -12.298 -2.625) 12.575 17.695 ( 0.000 19.787 3.041) 20.019 18.413 ( 0.000 3.767 2.326) 4.428 18.433 ( -0.000 6.633 -4.658) 8.105 19.506 ( -0.000 -1.802 -5.401) 5.694 19.621 ( -0.000 1.855 -2.223) 2.896 20.312 ( -0.000 -5.659 -1.330) 5.813 20.488 ( 0.000 -5.194 3.795) 6.432 20.584 ( 0.000 -2.070 0.560) 2.145 21.039 ( -0.000 -5.352 -0.498) 5.375 21.318 ( 0.000 -0.879 4.483) 4.568 21.685 ( -0.000 5.519 -1.086) 5.625 23.181 ( -0.000 -19.034 -14.278) 23.794 28.973 ( 0.000 7.831 1.916) 8.062 29.423 ( 0.000 1.040 3.107) 3.276 29.516 ( 0.000 -0.996 4.893) 4.993 29.977 ( 0.000 -4.315 1.619) 4.609 37.061 ( -0.000 -3.223 -3.961) 5.107 37.612 ( -0.000 8.311 -7.246) 11.026 38.052 ( -0.000 0.508 -13.540) 13.549 38.956 ( -0.000 7.417 -3.366) 8.145 39.106 ( -0.000 12.153 -5.273) 13.247 39.442 ( 0.000 -0.423 14.569) 14.575 40.493 ( 0.000 -14.040 15.401) 20.841 42.475 ( 0.000 4.117 24.765) 25.105 ======================= Grid point 114 (42/85) ======================= q-point: (-0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -2.463 -22.782 1.147) 22.944 2.922 ( -1.172 0.125 -12.006) 12.063 3.215 ( -6.660 4.264 -6.507) 10.241 3.602 ( -1.889 6.682 1.480) 7.100 5.586 ( -10.189 5.926 16.572) 20.336 6.204 ( -16.675 -16.927 -2.247) 23.867 6.462 ( 3.156 0.792 -5.517) 6.405 6.796 ( 3.951 22.528 17.483) 28.789 7.031 ( 1.044 5.429 -1.674) 5.776 7.636 ( -1.167 -1.073 -4.109) 4.404 7.956 ( -6.481 -2.184 -0.983) 6.910 8.208 ( 7.721 0.517 4.753) 9.081 8.572 ( 2.587 4.377 2.265) 5.566 8.804 ( -2.562 -6.642 6.870) 9.894 9.067 ( -0.076 -0.627 -1.827) 1.934 9.559 ( 12.793 -5.280 8.081) 16.026 9.779 ( -21.462 -6.568 9.566) 24.398 9.905 ( -5.259 -0.514 11.967) 13.082 10.131 ( -1.904 1.939 9.387) 9.772 10.473 ( 3.701 2.977 -3.053) 5.647 10.767 ( -1.236 3.736 8.901) 9.732 11.069 ( -0.875 5.366 7.292) 9.096 11.474 ( 0.723 8.984 -7.675) 11.838 11.808 ( -7.641 -4.260 3.038) 9.261 12.206 ( 4.558 -4.083 -1.959) 6.425 12.462 ( -5.880 -6.559 4.858) 10.060 12.648 ( -3.889 -6.742 -3.824) 8.672 13.244 ( -11.050 -1.641 -0.137) 11.172 13.512 ( 6.611 -13.824 -14.333) 20.982 13.812 ( 4.340 9.841 -8.619) 13.783 14.154 ( -4.145 -6.313 -3.286) 8.236 14.583 ( 18.026 9.564 -20.271) 28.763 14.931 ( 5.711 3.934 2.808) 7.482 15.169 ( 5.004 3.787 4.230) 7.569 15.336 ( -5.473 -2.063 3.345) 6.737 15.760 ( 18.104 -8.811 3.490) 20.435 17.890 ( 0.143 17.822 4.421) 18.362 18.333 ( -4.615 3.660 -3.117) 6.664 18.589 ( 6.693 8.931 3.477) 11.690 19.381 ( -1.218 -1.718 -7.864) 8.142 19.606 ( -1.289 2.753 -0.538) 3.087 20.226 ( -1.843 -9.478 -1.300) 9.742 20.430 ( -7.375 -6.912 -0.833) 10.142 20.566 ( -1.318 -0.364 1.626) 2.125 21.017 ( 2.326 -5.224 -1.219) 5.847 21.375 ( 1.081 -2.748 2.853) 4.106 21.741 ( -0.514 9.982 2.427) 10.285 22.810 ( -3.889 -16.012 -13.897) 21.555 29.034 ( -3.345 7.923 1.300) 8.697 29.459 ( -2.161 -1.372 2.744) 3.752 29.609 ( 4.640 -0.541 4.262) 6.324 29.948 ( -3.611 -4.546 1.233) 5.935 37.047 ( 8.194 -1.253 -2.364) 8.620 37.569 ( 1.495 6.013 -5.939) 8.582 37.888 ( 4.739 2.051 -11.761) 12.845 38.936 ( 0.062 10.113 -6.690) 12.125 39.120 ( 0.975 12.001 -4.581) 12.883 39.660 ( -3.637 -2.767 16.885) 17.492 40.563 ( -3.985 -18.315 11.001) 21.733 42.822 ( 0.335 3.579 16.035) 16.433 ======================= Grid point 115 (43/85) ======================= q-point: (-0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -5.376 -24.024 5.203) 25.162 2.770 ( -6.624 -4.510 0.000) 8.014 3.093 ( -7.430 4.015 -1.036) 8.508 3.560 ( -11.945 4.402 -0.177) 12.732 5.573 ( -24.858 -6.575 8.295) 27.017 5.863 ( -16.545 -6.778 -0.544) 17.888 6.517 ( 4.560 5.668 0.011) 7.274 7.055 ( -2.719 11.851 6.165) 13.632 7.253 ( 6.154 16.009 7.997) 18.924 7.527 ( 1.204 -5.719 -5.721) 8.179 7.849 ( -9.192 -0.864 2.320) 9.520 8.376 ( 4.190 -1.834 -0.937) 4.669 8.591 ( -7.051 -0.365 1.147) 7.153 8.736 ( -5.637 -21.629 4.636) 22.827 9.018 ( -0.314 -0.994 -6.114) 6.202 9.312 ( -18.948 -4.213 -7.631) 20.857 9.786 ( -2.171 -9.223 8.550) 12.763 10.042 ( 1.229 3.718 5.617) 6.848 10.280 ( -1.576 -3.233 8.730) 9.442 10.482 ( -5.037 -0.902 2.688) 5.781 10.834 ( -12.922 6.679 2.452) 14.751 11.151 ( 2.669 4.588 1.608) 5.546 11.440 ( -7.960 3.712 -8.260) 12.057 11.637 ( -6.181 -3.058 2.530) 7.346 12.225 ( -8.593 -5.691 -3.313) 10.825 12.330 ( -5.239 -3.047 -2.709) 6.639 12.563 ( 11.099 -0.493 3.111) 11.538 13.134 ( -3.369 -3.541 -1.989) 5.277 13.459 ( 7.500 2.231 2.230) 8.137 13.810 ( 14.794 -2.113 -10.864) 18.475 14.113 ( 5.135 -1.659 0.727) 5.445 14.614 ( 13.236 17.856 -13.736) 26.129 15.032 ( 4.462 4.815 -1.712) 6.784 15.245 ( -8.229 3.891 2.374) 9.407 15.506 ( 20.267 -5.974 10.943) 23.794 16.064 ( 28.135 -11.117 7.344) 31.130 18.050 ( -0.590 10.129 2.973) 10.573 18.288 ( -5.555 5.298 1.421) 7.807 18.790 ( 8.532 9.401 1.445) 12.778 19.235 ( -2.592 -1.298 -4.925) 5.715 19.621 ( -1.045 4.891 1.160) 5.134 20.107 ( -3.249 -11.536 -0.349) 11.990 20.260 ( -9.786 -5.164 -1.059) 11.116 20.573 ( -2.534 1.786 1.220) 3.332 20.952 ( -0.988 -6.069 -3.537) 7.093 21.388 ( 2.341 -2.557 -1.059) 3.625 21.884 ( -0.616 12.233 6.387) 13.814 22.454 ( -4.588 -12.467 -12.494) 18.236 29.044 ( -5.616 5.863 1.017) 8.182 29.439 ( -3.790 -3.734 1.959) 5.670 29.731 ( 6.308 -0.095 2.470) 6.775 29.865 ( -7.320 -4.434 0.640) 8.582 37.158 ( 14.578 0.673 -0.999) 14.628 37.538 ( 1.725 3.737 -4.971) 6.453 37.851 ( 9.573 6.504 -7.465) 13.772 38.898 ( 0.471 10.162 -7.464) 12.618 39.148 ( 0.773 12.769 -4.326) 13.504 39.826 ( -7.075 -6.592 16.590) 19.203 40.490 ( -7.642 -20.657 6.367) 22.927 43.013 ( 1.902 1.692 3.433) 4.274 ======================= Grid point 116 (44/85) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -5.560 -22.800 11.165) 25.989 2.656 ( -16.136 -4.482 3.825) 17.179 3.066 ( -13.145 1.728 10.989) 17.220 3.465 ( -12.285 3.725 7.762) 15.002 5.208 ( -40.337 -13.727 8.729) 43.494 5.775 ( -0.687 1.378 1.874) 2.426 6.570 ( -0.119 5.668 -1.223) 5.800 7.200 ( -5.293 6.820 6.438) 10.769 7.412 ( 6.733 -2.597 -3.713) 8.116 7.492 ( -4.943 2.645 5.366) 7.761 7.781 ( -10.913 -2.616 -0.799) 11.251 7.998 ( -48.093 -12.899 2.203) 49.842 8.318 ( -12.728 -19.730 -3.774) 23.781 8.631 ( 1.780 -0.917 -11.061) 11.240 8.853 ( -0.265 -2.236 0.271) 2.268 9.351 ( 18.062 8.562 -2.301) 20.120 9.709 ( -7.541 -6.558 -2.489) 10.299 10.087 ( -9.100 -2.381 1.468) 9.521 10.285 ( -2.982 -11.073 3.528) 11.998 10.423 ( -10.897 3.355 -0.212) 11.404 10.747 ( -0.547 3.200 -1.946) 3.785 11.066 ( -20.719 7.963 -3.766) 22.514 11.317 ( 1.431 -0.616 2.485) 2.933 11.606 ( -5.060 3.318 -2.799) 6.667 12.036 ( -1.917 -0.023 3.430) 3.929 12.368 ( 6.064 -8.101 -0.146) 10.120 12.803 ( 16.201 2.914 0.702) 16.476 13.055 ( -3.309 -6.856 4.732) 8.963 13.656 ( 5.557 13.784 1.638) 14.952 13.832 ( 21.222 -6.127 -8.337) 23.609 14.233 ( 9.209 0.962 2.568) 9.609 14.713 ( 9.444 15.443 -5.948) 19.054 15.075 ( 5.120 5.906 -3.848) 8.712 15.203 ( -5.685 3.687 0.195) 6.778 15.855 ( 15.423 -5.758 8.096) 18.346 16.457 ( 35.095 -13.006 2.638) 37.521 18.103 ( -2.982 0.586 2.234) 3.772 18.273 ( -6.359 3.646 -0.276) 7.336 18.923 ( 9.127 4.320 -4.052) 10.880 19.241 ( 0.618 2.589 7.848) 8.287 19.684 ( -0.675 6.663 2.533) 7.160 20.001 ( -3.645 -9.843 3.051) 10.931 20.116 ( -9.798 -3.124 1.850) 10.449 20.572 ( -2.731 5.562 -0.020) 6.196 20.805 ( -4.686 -6.235 -4.806) 9.161 21.374 ( 3.337 -0.577 -3.684) 5.005 22.078 ( -0.284 11.996 7.120) 13.953 22.149 ( -4.242 -8.859 -8.912) 13.262 29.017 ( -6.315 2.327 1.087) 6.817 29.388 ( -3.983 -4.064 1.203) 5.816 29.728 ( -10.127 -2.742 -0.184) 10.493 29.827 ( 5.044 -1.618 0.540) 5.325 37.355 ( 16.133 3.911 -0.732) 16.617 37.525 ( 5.097 2.480 -3.547) 6.687 37.973 ( 12.091 10.785 -1.844) 16.307 38.864 ( 1.367 8.573 -6.230) 10.686 39.176 ( 0.151 13.587 -4.727) 14.387 39.891 ( -10.434 -13.266 12.722) 21.135 40.330 ( -9.100 -19.323 6.131) 22.221 42.941 ( -0.967 -1.881 -15.664) 15.806 ======================= Grid point 117 (45/85) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -4.072 -17.205 14.248) 22.707 2.369 ( -22.092 -4.377 -5.467) 23.175 3.174 ( -12.968 3.276 19.890) 23.969 3.642 ( -11.554 0.997 31.307) 33.386 4.760 ( -43.854 -13.564 11.268) 47.266 5.833 ( 3.925 -5.295 1.649) 6.794 6.576 ( -2.015 2.495 -0.262) 3.218 7.004 ( -51.918 -10.114 -0.167) 52.894 7.245 ( -11.027 -1.611 1.693) 11.271 7.385 ( -7.606 -20.407 -6.228) 22.651 7.450 ( -7.886 4.772 6.527) 11.294 7.849 ( -6.899 6.979 0.096) 9.814 8.081 ( -3.097 -4.364 -0.631) 5.388 8.503 ( 5.959 0.393 -9.543) 11.258 8.843 ( -4.580 5.169 -2.649) 7.397 9.447 ( -5.417 -4.276 -4.379) 8.173 9.606 ( 13.877 -3.375 -3.996) 14.830 9.834 ( -21.476 -6.025 -0.186) 22.306 10.207 ( 3.046 -6.033 -5.580) 8.764 10.336 ( -12.664 5.572 4.694) 14.610 10.734 ( -4.519 2.197 -2.897) 5.800 11.009 ( 1.095 12.022 4.373) 12.839 11.332 ( -3.873 3.124 1.272) 5.135 11.598 ( 2.126 -0.039 2.066) 2.965 12.105 ( 2.997 -5.011 3.057) 6.591 12.331 ( 0.644 -6.837 -3.841) 7.868 12.940 ( 10.972 -3.935 0.766) 11.681 13.149 ( 2.743 -0.460 6.612) 7.173 13.809 ( 11.977 4.813 -1.252) 12.969 13.984 ( 14.992 5.473 -2.253) 16.118 14.390 ( 8.385 10.137 -1.399) 13.229 14.839 ( 6.608 6.193 -1.661) 9.208 15.129 ( 5.806 2.793 -3.972) 7.569 15.204 ( 3.871 7.315 0.367) 8.284 16.005 ( 6.561 -6.768 0.156) 9.428 16.675 ( 20.813 -13.624 -10.311) 26.928 18.007 ( -8.214 -3.439 -3.723) 9.652 18.240 ( -3.776 -0.845 4.308) 5.791 18.992 ( 9.918 1.532 -4.472) 10.987 19.426 ( 4.764 -0.303 6.810) 8.316 19.726 ( -2.223 -0.578 2.008) 3.051 20.001 ( -6.621 -2.248 6.164) 9.322 20.103 ( -0.527 -2.860 11.250) 11.620 20.563 ( -2.246 -2.394 -3.643) 4.904 20.687 ( -2.342 9.221 1.519) 9.634 21.342 ( 3.581 0.961 -6.108) 7.145 21.906 ( -4.477 -6.575 -5.825) 9.859 22.342 ( 5.395 12.536 10.655) 17.314 28.962 ( -5.901 -2.028 1.286) 6.371 29.334 ( -3.508 -2.684 0.782) 4.485 29.582 ( -11.301 -0.643 0.178) 11.320 29.860 ( 3.652 -2.196 -1.155) 4.416 37.485 ( 2.078 12.624 -3.466) 13.255 37.666 ( 20.431 -1.258 0.518) 20.476 38.200 ( 11.235 12.782 0.810) 17.037 38.876 ( 4.043 5.321 -1.537) 6.857 39.182 ( -1.158 13.034 -6.098) 14.436 39.750 ( -12.965 -19.458 3.294) 23.613 40.269 ( -7.566 -15.468 14.484) 22.501 42.413 ( -16.228 -6.639 -36.048) 40.086 ======================= Grid point 118 (46/85) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -14.505 -13.114 1.299) 19.597 2.162 ( -3.798 -4.625 13.036) 14.344 3.341 ( -9.522 5.775 13.413) 17.434 4.116 ( -18.091 0.026 42.560) 46.245 4.343 ( -38.882 -12.529 17.970) 44.629 5.775 ( -8.819 -12.853 5.754) 16.616 6.401 ( -25.990 -6.978 1.139) 26.935 6.588 ( -10.717 7.751 -3.609) 13.710 7.010 ( 0.845 -17.669 -12.790) 21.829 7.217 ( -2.536 0.906 1.733) 3.202 7.502 ( -8.892 4.237 10.808) 14.623 7.768 ( -9.989 1.795 1.452) 10.252 8.102 ( -1.738 2.264 3.520) 4.532 8.496 ( 7.260 2.083 -3.301) 8.243 8.724 ( -10.926 8.806 -4.558) 14.754 9.289 ( -6.100 -3.323 -3.810) 7.923 9.512 ( -12.700 -9.652 1.845) 16.058 9.743 ( 6.087 -2.351 0.261) 6.531 10.143 ( 0.253 5.306 -5.592) 7.713 10.307 ( -0.453 -3.510 1.650) 3.905 10.646 ( -6.300 5.295 -2.878) 8.718 11.180 ( -0.404 6.071 2.531) 6.590 11.391 ( 3.930 6.288 4.845) 8.857 11.670 ( 3.299 -2.024 3.448) 5.184 12.100 ( -1.071 -4.280 -3.425) 5.586 12.190 ( -0.955 -11.934 -1.203) 12.033 13.079 ( 11.200 -1.337 0.493) 11.290 13.238 ( 3.155 -0.906 1.243) 3.510 13.999 ( 12.760 4.270 0.837) 13.482 14.143 ( 11.214 7.302 -3.445) 13.818 14.527 ( 4.250 13.470 -1.004) 14.160 14.891 ( 3.627 5.123 -3.505) 7.190 15.141 ( 6.474 0.697 -3.978) 7.630 15.378 ( 13.355 3.622 -0.565) 13.849 15.942 ( -1.531 -6.612 -6.327) 9.279 16.424 ( -4.637 -13.743 -17.204) 22.502 17.859 ( -5.680 -0.993 -2.074) 6.128 18.247 ( -5.934 -2.190 4.536) 7.784 19.011 ( 5.466 0.681 -7.005) 8.911 19.507 ( 2.859 -2.931 0.287) 4.105 19.735 ( -0.713 -1.130 2.313) 2.671 20.012 ( -6.066 -2.991 8.760) 11.067 20.254 ( 3.035 -4.617 5.139) 7.546 20.446 ( -0.285 -5.664 -1.763) 5.939 20.917 ( 7.246 12.916 8.545) 17.098 21.288 ( 3.523 1.978 -7.195) 8.252 21.770 ( -2.986 -3.625 -1.634) 4.972 22.750 ( 19.559 9.317 12.806) 25.167 28.893 ( -4.893 -4.776 1.404) 6.980 29.297 ( -2.380 -1.267 1.031) 2.887 29.471 ( -9.754 2.322 1.381) 10.121 29.861 ( 2.861 -2.194 -1.230) 3.809 37.540 ( 0.426 17.396 -4.478) 17.968 37.913 ( 17.340 -0.227 0.540) 17.350 38.370 ( 4.909 9.449 -2.191) 10.871 39.011 ( 6.809 -0.787 6.663) 9.559 39.108 ( -4.677 6.226 -8.367) 11.430 39.529 ( -7.685 -9.566 1.615) 12.376 40.316 ( -9.797 -14.504 13.243) 21.948 41.462 ( -32.665 -7.214 -31.785) 46.145 ======================= Grid point 123 (47/85) ======================= q-point: ( 0.44 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 0.000 -24.092 4.910) 24.587 2.823 ( 0.000 -0.261 0.788) 0.830 3.196 ( -0.000 4.474 -2.563) 5.156 3.705 ( 0.000 4.859 1.097) 4.982 5.889 ( 0.000 -0.775 6.999) 7.042 6.124 ( 0.000 -12.278 0.153) 12.279 6.431 ( -0.000 1.714 0.060) 1.715 7.042 ( -0.000 12.553 0.132) 12.553 7.218 ( 0.000 22.751 13.481) 26.445 7.521 ( -0.000 -3.661 -6.795) 7.718 7.988 ( 0.000 -1.064 1.861) 2.144 8.248 ( 0.000 0.275 4.422) 4.430 8.575 ( -0.000 1.185 -1.183) 1.675 8.752 ( -0.000 -10.707 -4.685) 11.687 9.029 ( -0.000 -7.741 -5.610) 9.560 9.520 ( 0.000 -8.701 7.463) 11.463 9.981 ( -0.000 -2.993 -2.236) 3.736 10.037 ( 0.000 3.761 4.063) 5.537 10.335 ( 0.000 -0.492 4.764) 4.789 10.523 ( 0.000 -2.844 18.375) 18.594 10.965 ( 0.000 6.713 10.012) 12.054 11.174 ( -0.000 -0.478 -4.760) 4.784 11.409 ( -0.000 7.912 -2.070) 8.179 11.910 ( 0.000 -9.014 4.257) 9.968 12.091 ( -0.000 -4.673 -3.490) 5.832 12.430 ( -0.000 1.557 -9.845) 9.967 12.608 ( 0.000 -4.428 6.410) 7.790 13.109 ( -0.000 -16.072 -11.070) 19.516 13.491 ( 0.000 1.776 7.894) 8.091 13.781 ( -0.000 19.070 -8.690) 20.957 13.997 ( -0.000 2.647 -19.878) 20.054 14.209 ( -0.000 0.506 -2.935) 2.978 14.962 ( 0.000 -0.234 3.454) 3.462 15.205 ( 0.000 -8.082 7.946) 11.334 15.436 ( 0.000 -1.206 2.479) 2.757 15.687 ( 0.000 -2.688 7.815) 8.264 18.059 ( 0.000 12.200 3.228) 12.620 18.363 ( -0.000 4.456 0.140) 4.458 18.678 ( 0.000 11.996 2.466) 12.247 19.269 ( -0.000 -1.446 -5.330) 5.523 19.633 ( -0.000 4.884 0.058) 4.884 20.146 ( 0.000 -13.537 0.291) 13.540 20.402 ( -0.000 -6.180 -2.587) 6.700 20.588 ( 0.000 -0.060 1.385) 1.386 20.960 ( -0.000 -2.965 -1.625) 3.381 21.359 ( -0.000 -2.955 -1.139) 3.167 21.893 ( 0.000 13.226 5.718) 14.409 22.513 ( -0.000 -13.961 -13.264) 19.257 29.127 ( -0.000 9.088 0.010) 9.088 29.512 ( 0.000 -2.481 2.970) 3.870 29.613 ( 0.000 -4.015 2.925) 4.968 29.958 ( 0.000 -4.020 0.946) 4.130 36.969 ( -0.000 -0.091 -0.857) 0.862 37.530 ( -0.000 6.168 -3.698) 7.192 37.721 ( -0.000 4.685 -8.482) 9.690 38.892 ( -0.000 11.087 -8.091) 13.725 39.140 ( -0.000 14.217 -4.210) 14.827 39.913 ( 0.000 -6.783 16.797) 18.115 40.584 ( 0.000 -22.565 7.022) 23.632 42.989 ( 0.000 1.811 3.374) 3.829 ======================= Grid point 125 (48/85) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -2.134 -21.259 7.361) 22.599 2.892 ( -4.086 -2.198 7.785) 9.062 3.274 ( -4.406 4.999 13.713) 15.246 3.680 ( -4.932 2.732 -1.751) 5.904 5.832 ( -11.411 -3.499 1.992) 12.100 6.024 ( -13.132 -10.156 4.473) 17.193 6.498 ( 4.594 4.132 1.048) 6.267 7.113 ( 6.921 7.308 -8.653) 13.273 7.388 ( -6.519 5.205 4.342) 9.405 7.585 ( -0.791 15.191 8.703) 17.525 7.992 ( -7.034 -6.223 5.131) 10.702 8.249 ( 2.470 -4.390 -6.361) 8.114 8.466 ( 1.740 -23.077 -8.487) 24.650 8.670 ( 3.651 -1.078 -0.084) 3.808 8.903 ( 7.332 7.109 -8.295) 13.157 9.494 ( -18.373 -5.825 2.147) 19.393 9.845 ( -4.658 -5.802 -3.333) 8.153 10.091 ( -1.497 -1.023 3.973) 4.367 10.345 ( -2.721 -6.115 1.189) 6.797 10.662 ( -9.943 -11.386 9.721) 17.972 10.961 ( -8.415 1.476 -8.806) 12.269 11.158 ( 5.305 1.460 4.143) 6.888 11.432 ( -1.068 4.791 -4.522) 6.674 11.795 ( -9.902 -0.337 4.175) 10.751 12.103 ( 10.229 -3.972 -2.710) 11.303 12.364 ( -4.889 0.510 -6.521) 8.166 12.587 ( -8.469 3.070 3.691) 9.735 13.023 ( 6.167 -5.840 3.205) 9.078 13.401 ( 7.159 0.059 -12.591) 14.484 13.650 ( -6.791 10.121 -0.717) 12.209 14.099 ( 2.648 1.640 4.294) 5.305 14.350 ( 22.899 18.854 -5.400) 30.149 15.004 ( 1.509 -0.123 0.420) 1.571 15.342 ( 8.602 -9.039 5.591) 13.674 15.427 ( -0.310 -7.240 8.515) 11.181 15.879 ( 12.034 -6.437 7.975) 15.807 18.152 ( -1.163 4.072 2.775) 5.063 18.393 ( -2.792 3.456 1.171) 4.594 18.765 ( 3.481 7.633 -4.232) 9.396 19.246 ( -0.426 3.037 3.502) 4.654 19.687 ( 0.177 7.598 1.358) 7.721 20.062 ( -1.382 -14.133 2.883) 14.490 20.305 ( -4.904 -2.220 -1.121) 5.499 20.606 ( -0.130 0.712 0.469) 0.863 20.894 ( -2.252 -2.561 -3.271) 4.726 21.313 ( 1.441 -0.994 -3.804) 4.187 22.085 ( -0.269 14.841 6.322) 16.133 22.226 ( -1.744 -10.752 -10.861) 15.382 29.154 ( -3.925 7.182 -0.724) 8.216 29.488 ( -4.532 -6.096 2.209) 7.910 29.667 ( 6.697 -3.727 1.190) 7.756 29.917 ( -4.232 -3.328 0.301) 5.392 37.015 ( 8.374 0.610 -0.106) 8.397 37.517 ( -1.950 6.424 -2.226) 7.072 37.724 ( 7.482 9.871 -3.098) 12.768 38.844 ( 0.381 10.324 -7.667) 12.865 39.176 ( -0.046 16.019 -4.891) 16.749 40.069 ( -3.969 -13.524 14.416) 20.161 40.488 ( -3.578 -23.481 5.232) 24.321 42.944 ( 0.194 -1.344 -10.023) 10.115 ======================= Grid point 126 (49/85) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -1.639 -16.011 8.945) 18.414 2.835 ( -15.077 -0.106 -0.941) 15.107 3.416 ( -7.436 -0.125 6.471) 9.858 3.821 ( -2.972 2.530 30.118) 30.369 5.638 ( -21.955 -12.413 5.325) 25.777 5.878 ( -13.326 -1.920 3.326) 13.868 6.585 ( 2.044 2.210 1.862) 3.539 7.016 ( 10.641 -0.215 -18.143) 21.035 7.452 ( -6.140 3.387 2.122) 7.326 7.649 ( -9.165 -8.224 -1.288) 12.381 7.878 ( -6.060 -10.754 5.771) 13.626 8.058 ( -6.983 -3.180 -8.954) 11.792 8.287 ( 4.736 -2.752 -5.181) 7.540 8.646 ( -3.892 -4.538 -2.413) 6.447 9.002 ( -13.590 8.737 1.419) 16.218 9.197 ( -1.316 0.827 -1.315) 2.036 9.636 ( -7.176 -7.236 -9.833) 14.161 10.086 ( -2.591 -12.585 1.392) 12.924 10.251 ( -1.520 -8.553 -1.453) 8.808 10.505 ( -7.404 -4.801 -4.300) 9.816 10.831 ( -3.754 -0.712 2.530) 4.582 11.230 ( -5.497 5.534 -1.425) 7.929 11.351 ( 0.582 2.365 -1.439) 2.829 11.834 ( -15.176 6.440 9.992) 19.278 12.091 ( -6.690 0.741 -2.987) 7.364 12.167 ( 8.598 -4.286 -6.614) 11.664 12.629 ( 6.269 -2.721 -2.966) 7.450 13.109 ( 3.911 2.136 3.898) 5.920 13.535 ( 13.994 -1.025 4.636) 14.777 13.705 ( 6.150 15.023 -0.083) 16.233 14.174 ( 5.999 3.627 -1.602) 7.191 14.652 ( 9.898 13.803 1.357) 17.039 15.022 ( 2.530 4.062 -2.378) 5.343 15.301 ( -6.713 -0.045 -0.289) 6.719 15.719 ( 20.569 -14.770 11.555) 27.835 16.087 ( 16.857 -10.633 4.031) 20.334 18.158 ( -4.064 -4.709 0.210) 6.224 18.364 ( -5.832 2.435 1.286) 6.449 18.775 ( 7.304 2.071 -5.148) 9.172 19.371 ( 0.715 4.045 6.295) 7.516 19.764 ( -0.587 4.131 1.755) 4.527 20.045 ( -0.160 -6.392 7.040) 9.510 20.241 ( -6.446 -0.097 2.947) 7.088 20.605 ( -1.297 1.321 -1.189) 2.200 20.781 ( -4.172 0.290 -3.311) 5.334 21.263 ( 2.705 1.211 -6.131) 6.810 21.992 ( -2.540 -8.027 -7.111) 11.021 22.288 ( 0.328 16.336 5.712) 17.309 29.113 ( -6.138 1.989 -0.654) 6.486 29.418 ( -3.747 -5.774 1.125) 6.974 29.728 ( 6.564 -3.845 -0.586) 7.630 29.826 ( -7.544 -2.233 -0.099) 7.868 37.172 ( 15.554 1.493 0.887) 15.651 37.520 ( -1.980 9.705 -1.265) 9.985 37.913 ( 11.518 12.903 1.536) 17.364 38.815 ( 1.398 8.262 -5.382) 9.959 39.201 ( -0.518 16.912 -6.339) 18.069 40.024 ( -8.890 -23.066 5.408) 25.305 40.415 ( -4.273 -20.308 12.679) 24.319 42.639 ( -4.653 -5.012 -23.780) 24.744 ======================= Grid point 127 (50/85) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 0.319 -12.856 8.799) 15.582 2.512 ( -22.419 -2.331 -7.050) 23.617 3.467 ( -1.188 4.009 5.950) 7.273 4.391 ( -6.899 0.076 45.573) 46.092 5.332 ( -34.152 -12.139 9.973) 37.592 5.718 ( -2.790 -16.137 -4.691) 17.035 6.603 ( -4.099 2.644 -4.506) 6.640 6.810 ( 12.274 -11.807 -19.446) 25.850 7.191 ( -9.782 -11.311 -8.974) 17.440 7.453 ( -12.633 0.557 -5.841) 13.929 7.789 ( -14.789 -0.261 5.171) 15.669 7.952 ( 5.096 -5.787 -0.428) 7.723 8.272 ( -17.074 1.633 9.161) 19.445 8.466 ( -6.507 4.562 -2.819) 8.432 8.876 ( -6.219 2.293 -2.899) 7.234 9.330 ( 7.400 2.486 -8.594) 11.611 9.412 ( 3.589 -2.856 1.681) 4.885 9.926 ( -7.118 -13.103 -1.574) 14.995 10.084 ( -5.322 -4.867 -5.986) 9.373 10.411 ( 0.013 -5.023 -1.105) 5.143 10.818 ( -4.601 -3.004 0.892) 5.567 11.228 ( -3.546 13.196 5.242) 14.635 11.403 ( 2.306 2.094 0.516) 3.157 11.761 ( -19.747 6.951 6.880) 22.036 12.046 ( 3.425 -7.057 -0.448) 7.857 12.180 ( 7.691 -1.207 -5.335) 9.438 12.578 ( 11.390 -10.115 -9.630) 18.022 13.299 ( 3.309 7.159 8.629) 11.690 13.694 ( 10.595 2.424 1.786) 11.014 13.974 ( 3.876 11.806 5.079) 13.424 14.291 ( 15.027 14.074 -4.591) 21.094 14.812 ( 3.088 1.977 2.668) 4.534 15.039 ( 2.557 4.145 -4.360) 6.536 15.246 ( -2.036 2.212 0.658) 3.078 15.917 ( 4.865 -10.447 4.713) 12.451 16.239 ( 16.494 -11.496 -2.809) 20.300 18.002 ( -6.538 -6.905 -3.406) 10.101 18.370 ( -4.742 -0.668 5.159) 7.039 18.819 ( 8.865 1.792 -3.897) 9.848 19.461 ( 0.455 0.479 2.119) 2.219 19.769 ( -1.899 -3.213 2.013) 4.241 20.144 ( -1.813 1.390 5.373) 5.839 20.254 ( -3.602 -3.241 7.756) 9.145 20.502 ( -4.219 -6.268 -4.420) 8.754 20.805 ( 2.056 13.007 2.714) 13.445 21.205 ( 3.285 2.745 -7.422) 8.568 21.838 ( -2.475 -5.186 -2.974) 6.470 22.505 ( 3.739 15.878 5.066) 17.081 29.024 ( -6.030 -3.994 -0.118) 7.234 29.361 ( -2.734 -3.116 0.383) 4.163 29.712 ( -8.961 0.769 0.239) 8.997 29.759 ( 5.377 -4.767 -1.499) 7.340 37.427 ( 19.052 3.865 2.249) 19.570 37.564 ( -0.945 13.471 -1.212) 13.558 38.179 ( 10.797 13.273 1.715) 17.196 38.851 ( 4.856 4.787 0.805) 6.866 39.186 ( -2.017 14.608 -8.433) 16.987 39.776 ( -10.942 -22.191 0.993) 24.762 40.468 ( -4.088 -22.333 18.159) 29.073 42.033 ( -15.384 -7.468 -31.660) 35.984 ======================= Grid point 128 (51/85) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -10.828 -14.688 0.371) 18.252 2.303 ( -0.873 -1.613 4.456) 4.819 3.583 ( -1.050 6.744 4.162) 7.994 4.891 ( -31.003 -7.111 20.172) 37.666 5.026 ( -19.341 -4.528 25.735) 32.510 5.519 ( 13.980 -27.577 -5.047) 31.328 6.250 ( -2.771 -2.414 -27.041) 27.289 6.665 ( -3.391 -12.640 -2.939) 13.414 6.918 ( -10.342 -1.826 1.674) 10.634 7.326 ( -3.085 5.009 1.947) 6.196 7.776 ( -4.149 3.367 3.758) 6.533 7.933 ( -7.161 -5.655 3.658) 9.830 8.228 ( -4.310 -1.410 5.526) 7.148 8.518 ( -1.127 8.782 5.681) 10.520 8.739 ( -2.793 1.866 -7.831) 8.521 9.292 ( -5.836 3.275 2.056) 7.001 9.538 ( 13.774 -2.219 -2.610) 14.194 9.715 ( -12.833 -7.352 0.674) 14.805 9.963 ( 6.136 -7.377 -4.058) 10.418 10.337 ( -4.188 -2.421 -1.548) 5.079 10.743 ( -5.380 -0.839 0.175) 5.448 11.365 ( -7.400 8.438 2.079) 11.414 11.456 ( 3.532 5.652 2.722) 7.199 11.757 ( -6.949 2.939 8.397) 11.289 12.021 ( 2.839 -6.555 -2.068) 7.437 12.127 ( -2.443 -4.140 -0.338) 4.819 12.518 ( 21.143 -11.273 -13.603) 27.552 13.472 ( 0.029 6.451 4.586) 7.915 13.947 ( 8.644 7.519 5.402) 12.667 14.052 ( 5.356 9.464 -3.803) 11.520 14.538 ( 8.058 16.942 -1.751) 18.842 14.848 ( 0.901 0.718 -0.729) 1.364 15.034 ( 4.116 3.154 -2.252) 5.654 15.280 ( 3.181 -1.803 -0.324) 3.671 15.858 ( -5.564 -11.052 -2.237) 12.574 16.191 ( 0.204 -5.094 -5.987) 7.864 17.875 ( -3.342 -3.076 -0.783) 4.609 18.362 ( -4.939 -3.354 2.821) 6.603 18.867 ( 4.928 3.107 -3.624) 6.861 19.470 ( 0.467 -2.220 0.045) 2.269 19.760 ( -0.994 -1.935 0.918) 2.361 20.188 ( -3.968 -1.267 6.131) 7.413 20.269 ( -3.551 -4.219 1.325) 5.672 20.365 ( 1.178 -6.638 -2.723) 7.271 21.024 ( 6.476 11.256 5.059) 13.937 21.163 ( 3.108 3.667 -5.440) 7.259 21.760 ( -1.942 -3.120 -0.497) 3.709 22.759 ( 11.236 11.005 3.742) 16.166 28.926 ( -4.403 -6.378 0.538) 7.769 29.322 ( -1.647 -1.845 0.421) 2.508 29.629 ( -8.975 3.225 1.564) 9.664 29.768 ( 5.484 -4.223 -1.479) 7.078 37.612 ( -1.653 18.766 -3.563) 19.173 37.738 ( 17.356 3.860 2.320) 17.931 38.351 ( 4.742 8.511 -0.799) 9.775 39.034 ( 6.443 -2.985 8.173) 10.827 39.072 ( -4.241 7.097 -8.875) 12.129 39.568 ( -5.385 -7.602 0.660) 9.340 40.479 ( -11.138 -20.047 6.159) 23.746 41.364 ( -15.515 -8.553 -11.393) 21.064 ======================= Grid point 134 (52/85) ======================= q-point: (-0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 0.000 -15.563 6.583) 16.898 3.023 ( 0.000 2.304 5.414) 5.884 3.521 ( -0.000 -0.816 -2.459) 2.591 3.830 ( 0.000 1.371 29.671) 29.703 5.881 ( -0.000 -9.639 -1.175) 9.710 6.111 ( 0.000 -3.330 5.777) 6.668 6.529 ( 0.000 2.572 1.655) 3.059 6.891 ( -0.000 4.505 -17.071) 17.655 7.550 ( 0.000 3.253 6.617) 7.373 7.838 ( -0.000 7.921 0.258) 7.925 7.916 ( -0.000 -32.797 -3.146) 32.948 8.060 ( -0.000 -7.339 -6.502) 9.805 8.281 ( 0.000 4.851 1.125) 4.980 8.549 ( -0.000 0.198 -10.226) 10.228 8.879 ( 0.000 10.515 2.687) 10.853 9.522 ( -0.000 -6.044 -10.940) 12.499 9.738 ( -0.000 -10.055 -1.575) 10.177 10.148 ( 0.000 -6.380 1.417) 6.535 10.315 ( -0.000 -10.276 -2.350) 10.541 10.706 ( -0.000 -8.080 -2.022) 8.330 10.873 ( -0.000 -11.413 -2.745) 11.738 11.097 ( -0.000 -4.636 -5.751) 7.387 11.475 ( 0.000 9.505 2.470) 9.821 11.885 ( -0.000 3.959 -2.372) 4.615 11.971 ( 0.000 -1.548 0.458) 1.615 12.326 ( 0.000 -4.093 0.205) 4.098 12.702 ( -0.000 6.503 -3.818) 7.541 13.145 ( -0.000 3.767 -2.490) 4.515 13.210 ( 0.000 7.369 13.792) 15.637 13.725 ( -0.000 19.911 -9.014) 21.857 14.072 ( -0.000 3.377 -7.038) 7.806 14.424 ( 0.000 9.530 17.362) 19.805 14.985 ( -0.000 -3.190 -0.571) 3.241 15.309 ( 0.000 -11.305 7.620) 13.633 15.481 ( 0.000 -6.159 3.637) 7.152 15.916 ( 0.000 -7.627 10.813) 13.232 18.206 ( 0.000 -4.343 2.213) 4.875 18.451 ( 0.000 3.501 1.813) 3.942 18.677 ( -0.000 1.751 -7.361) 7.566 19.365 ( 0.000 5.764 5.870) 8.226 19.765 ( 0.000 7.763 1.450) 7.897 20.049 ( 0.000 -10.544 6.157) 12.210 20.325 ( 0.000 1.750 0.484) 1.816 20.621 ( 0.000 0.885 1.112) 1.421 20.838 ( -0.000 -1.758 -4.407) 4.745 21.228 ( -0.000 1.415 -6.178) 6.338 22.023 ( -0.000 -8.588 -7.476) 11.386 22.290 ( 0.000 18.363 4.706) 18.956 29.201 ( -0.000 6.199 -2.455) 6.668 29.508 ( 0.000 -10.806 2.140) 11.015 29.588 ( -0.000 -3.580 -0.257) 3.589 29.923 ( -0.000 -2.545 -0.221) 2.555 36.972 ( 0.000 1.098 0.673) 1.288 37.583 ( 0.000 7.336 1.353) 7.459 37.729 ( -0.000 15.225 -0.328) 15.228 38.799 ( -0.000 9.281 -6.433) 11.292 39.208 ( -0.000 18.033 -6.459) 19.155 40.137 ( 0.000 -24.170 6.761) 25.098 40.466 ( 0.000 -21.876 11.329) 24.636 42.689 ( -0.000 -4.624 -20.149) 20.673 ======================= Grid point 136 (53/85) ======================= q-point: (-0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 0.638 -11.137 4.839) 12.160 3.009 ( -16.052 1.225 -1.781) 16.197 3.413 ( 5.053 -0.451 -5.186) 7.255 4.436 ( 1.308 -3.159 42.871) 43.008 5.679 ( -6.944 -20.297 -3.591) 21.751 6.137 ( -14.196 0.928 4.334) 14.872 6.444 ( 10.168 -0.784 -22.540) 24.740 6.756 ( -2.862 2.601 0.272) 3.876 7.398 ( -8.906 -29.350 -9.015) 31.968 7.617 ( -3.542 2.139 -5.805) 7.129 7.794 ( 5.205 -6.566 -7.180) 11.034 8.110 ( -5.829 -0.203 6.575) 8.789 8.284 ( -0.149 2.771 0.819) 2.893 8.533 ( 7.494 -1.820 -1.405) 7.838 8.968 ( 3.566 0.843 -8.895) 9.620 9.221 ( -4.371 2.349 -9.795) 10.981 9.630 ( -7.912 -9.056 1.209) 12.086 10.055 ( -4.533 -16.981 -1.578) 17.646 10.113 ( -0.526 -7.461 -6.699) 10.040 10.561 ( -13.305 -4.082 -0.593) 13.930 10.767 ( 5.769 -7.757 -2.779) 10.059 11.101 ( 15.941 -5.723 -2.922) 17.188 11.490 ( -12.137 8.985 0.956) 15.132 11.861 ( 9.537 -0.165 -9.382) 13.379 12.034 ( 0.958 -1.495 4.874) 5.187 12.297 ( -9.834 2.763 3.342) 10.747 12.607 ( -10.263 5.573 -2.185) 11.881 13.225 ( 0.309 14.167 7.499) 16.033 13.554 ( 3.555 3.093 6.893) 8.350 13.771 ( 4.609 18.481 4.654) 19.607 14.048 ( 8.077 4.196 -6.972) 11.465 14.732 ( 3.057 5.919 8.828) 11.059 14.963 ( 3.466 2.733 -3.888) 5.882 15.328 ( -1.542 -2.291 -0.478) 2.803 15.594 ( 12.373 -11.541 11.882) 20.675 16.044 ( 1.349 -9.965 11.059) 14.947 18.133 ( -3.311 -11.072 -1.914) 11.714 18.482 ( -4.414 1.241 1.720) 4.897 18.635 ( 5.912 2.268 -2.001) 6.641 19.469 ( -0.520 3.363 3.312) 4.748 19.805 ( -0.830 -0.507 0.773) 1.242 20.126 ( 1.276 1.081 6.218) 6.439 20.344 ( -2.273 0.285 2.532) 3.414 20.627 ( -5.312 -1.865 0.022) 5.629 20.770 ( 2.130 4.431 -2.175) 5.376 21.146 ( 1.333 3.741 -7.553) 8.534 21.881 ( -0.987 -5.819 -3.615) 6.921 22.480 ( -0.312 20.983 2.353) 21.117 29.158 ( -4.026 0.617 -2.957) 5.033 29.428 ( -2.965 -7.936 0.659) 8.497 29.601 ( 6.106 -5.744 -0.789) 8.420 29.880 ( -3.824 -1.231 -0.297) 4.028 37.060 ( 8.952 2.515 2.299) 9.579 37.641 ( -4.407 10.922 2.059) 11.956 37.919 ( 8.939 16.423 2.002) 18.805 38.784 ( 1.196 7.100 -3.233) 7.892 39.216 ( -0.596 18.409 -8.558) 20.310 39.980 ( -4.911 -27.506 2.017) 28.014 40.527 ( -1.065 -25.662 17.407) 31.027 42.254 ( -4.134 -7.344 -27.187) 28.464 ======================= Grid point 137 (54/85) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 2.448 -10.066 3.293) 10.871 2.632 ( -22.332 -4.785 -10.044) 24.950 3.493 ( 7.940 3.390 0.306) 8.639 5.013 ( 6.734 -18.111 25.890) 32.305 5.370 ( -7.347 -18.075 -6.161) 20.461 5.868 ( -24.923 0.634 -4.671) 25.365 6.160 ( 6.099 -15.150 -15.508) 22.522 6.758 ( -7.436 0.876 3.676) 8.341 7.053 ( -0.963 -16.144 -6.104) 17.286 7.418 ( -4.069 0.780 -10.008) 10.832 7.772 ( 5.237 -4.880 -2.346) 7.533 8.044 ( -6.459 -7.725 3.402) 10.629 8.369 ( 1.412 0.175 -3.423) 3.707 8.501 ( -0.264 0.769 -3.685) 3.774 8.721 ( 4.554 -10.596 -8.940) 14.592 9.250 ( 3.776 8.402 -1.743) 9.375 9.533 ( -8.963 0.601 4.539) 10.065 9.844 ( -4.321 -14.235 -0.645) 14.890 10.026 ( 0.292 -2.899 -3.623) 4.649 10.397 ( -6.344 -6.755 0.424) 9.276 10.760 ( 5.904 -8.005 -1.656) 10.084 11.239 ( 14.667 -1.241 -1.154) 14.764 11.434 ( -4.781 7.981 -0.698) 9.329 11.820 ( 7.359 -3.454 -7.095) 10.790 12.051 ( -1.347 -1.298 -0.825) 2.045 12.237 ( -13.396 3.916 3.408) 14.367 12.514 ( -16.163 4.651 6.783) 18.135 13.437 ( -0.037 13.321 0.337) 13.325 13.679 ( 7.627 3.191 10.076) 13.034 14.048 ( 5.942 8.719 -9.679) 14.318 14.173 ( 12.701 17.837 8.994) 23.672 14.847 ( 1.680 -4.767 3.554) 6.178 14.981 ( 1.457 8.522 -3.254) 9.238 15.287 ( -2.170 2.834 -0.764) 3.650 15.845 ( 9.773 -9.607 7.395) 15.572 16.139 ( -1.124 -8.476 9.621) 12.871 17.967 ( -4.342 -9.335 -2.251) 10.539 18.437 ( -1.002 -4.914 -0.915) 5.098 18.746 ( 3.643 5.310 3.396) 7.281 19.497 ( -2.171 0.891 0.682) 2.444 19.787 ( -1.036 -3.252 0.742) 3.493 20.221 ( 0.175 3.045 1.280) 3.308 20.346 ( -0.973 -3.833 1.096) 4.104 20.468 ( -8.379 -6.714 -2.038) 10.929 20.899 ( 4.099 13.108 2.174) 13.905 21.093 ( 2.366 4.755 -4.810) 7.166 21.802 ( -1.414 -3.987 -0.683) 4.285 22.640 ( 0.481 20.848 -0.592) 20.862 29.042 ( -4.956 -5.586 -1.944) 7.717 29.364 ( -1.666 -3.637 -0.352) 4.016 29.616 ( 6.690 -6.634 -1.515) 9.543 29.818 ( -6.007 0.812 0.352) 6.072 37.291 ( 16.285 5.007 4.169) 17.541 37.698 ( -4.837 14.963 0.626) 15.738 38.176 ( 9.576 14.156 1.313) 17.141 38.853 ( 5.292 4.195 3.362) 7.543 39.170 ( -2.542 14.332 -10.074) 17.702 39.750 ( -7.580 -22.299 1.327) 23.589 40.602 ( -1.475 -30.418 17.883) 35.316 41.685 ( -9.614 -9.232 -24.960) 28.296 ======================= Grid point 145 (55/85) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 0.000 -8.183 1.236) 8.276 3.055 ( -0.000 -6.416 -13.027) 14.521 3.275 ( 0.000 3.588 0.400) 3.611 4.891 ( 0.000 -25.071 19.635) 31.845 5.535 ( -0.000 -14.422 -5.381) 15.393 5.909 ( -0.000 -5.973 -20.495) 21.348 6.306 ( 0.000 4.880 0.685) 4.928 6.830 ( 0.000 -1.212 1.025) 1.588 7.095 ( -0.000 -32.617 -7.112) 33.383 7.534 ( -0.000 4.238 -8.995) 9.943 7.639 ( -0.000 -6.365 -3.902) 7.466 8.142 ( -0.000 -9.303 -7.742) 12.103 8.267 ( 0.000 -0.466 4.138) 4.164 8.524 ( 0.000 -1.196 3.378) 3.583 8.671 ( -0.000 -10.402 -18.226) 20.985 9.219 ( -0.000 7.953 -0.157) 7.954 9.627 ( 0.000 -7.761 2.068) 8.032 9.875 ( -0.000 -15.747 -1.969) 15.870 10.047 ( -0.000 -3.686 -3.795) 5.291 10.559 ( -0.000 -8.405 -7.105) 11.006 10.613 ( -0.000 -6.428 -2.882) 7.044 10.976 ( 0.000 2.760 3.908) 4.784 11.610 ( -0.000 2.525 -11.313) 11.591 11.668 ( 0.000 3.752 0.719) 3.820 12.055 ( 0.000 -4.476 1.940) 4.878 12.406 ( 0.000 -1.102 3.721) 3.880 12.822 ( 0.000 16.912 7.444) 18.478 13.454 ( 0.000 20.618 5.452) 21.327 13.607 ( 0.000 -8.060 1.244) 8.155 13.845 ( -0.000 7.417 -4.233) 8.540 14.083 ( 0.000 20.138 11.171) 23.029 14.795 ( -0.000 -4.731 -1.287) 4.903 14.965 ( 0.000 12.713 2.215) 12.905 15.319 ( -0.000 2.796 -2.126) 3.512 15.654 ( 0.000 -6.745 13.457) 15.053 16.179 ( 0.000 -12.932 15.890) 20.488 18.033 ( -0.000 -12.982 -2.417) 13.205 18.433 ( -0.000 -4.359 -5.090) 6.701 18.711 ( 0.000 5.807 7.784) 9.711 19.532 ( 0.000 1.888 1.857) 2.649 19.800 ( -0.000 -2.673 -0.394) 2.702 20.208 ( 0.000 5.354 1.641) 5.600 20.358 ( -0.000 -3.903 -0.272) 3.913 20.617 ( -0.000 -7.326 -3.655) 8.187 20.815 ( 0.000 13.362 2.932) 13.680 21.068 ( -0.000 5.433 -4.651) 7.152 21.820 ( -0.000 -4.201 -0.782) 4.273 22.650 ( -0.000 25.803 -1.944) 25.876 29.118 ( -0.000 -2.822 -4.346) 5.182 29.392 ( 0.000 -7.858 -0.134) 7.859 29.509 ( -0.000 -6.208 -0.718) 6.250 29.893 ( -0.000 -0.345 -0.166) 0.383 37.075 ( 0.000 3.969 4.013) 5.644 37.806 ( 0.000 9.133 5.101) 10.461 37.999 ( -0.000 20.144 -0.285) 20.146 38.794 ( 0.000 5.310 0.425) 5.327 39.199 ( -0.000 17.735 -10.432) 20.576 39.852 ( 0.000 -26.796 2.487) 26.911 40.612 ( 0.000 -33.595 18.854) 38.524 41.800 ( -0.000 -9.487 -26.278) 27.938 ======================= Grid point 146 (56/85) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 2.704 -8.314 -0.408) 8.752 2.633 ( -17.533 -10.069 -15.199) 25.294 3.360 ( 10.490 0.158 -4.071) 11.254 4.659 ( 6.175 -44.051 -14.340) 46.736 5.000 ( -0.517 -11.718 -40.796) 42.449 6.047 ( -7.257 -0.550 8.946) 11.533 6.215 ( -3.922 -10.079 11.902) 16.081 6.676 ( 8.387 -28.957 -8.344) 31.281 6.951 ( -2.266 1.397 4.184) 4.959 7.381 ( -11.937 -4.696 -2.766) 13.122 7.562 ( 8.264 -4.601 -7.142) 11.852 7.935 ( 1.607 -11.424 -11.024) 15.957 8.269 ( 0.680 -6.017 -11.981) 13.424 8.371 ( -2.623 1.486 3.394) 4.540 8.606 ( 8.389 -5.626 1.347) 10.191 9.267 ( -0.384 -0.628 2.715) 2.813 9.609 ( -2.822 -7.159 3.420) 8.421 9.812 ( 0.239 -6.271 -1.940) 6.568 9.987 ( 2.129 0.450 2.384) 3.227 10.413 ( -3.226 -4.386 -3.609) 6.532 10.573 ( 6.658 -5.199 -1.330) 8.551 11.102 ( 5.885 5.413 0.637) 8.022 11.441 ( -1.115 3.244 -8.421) 9.093 11.708 ( 1.142 2.323 -1.435) 2.960 12.056 ( -0.505 -4.553 3.525) 5.780 12.375 ( -9.937 -3.567 1.241) 10.630 13.007 ( -13.061 19.193 10.439) 25.455 13.379 ( -1.003 -8.938 -8.785) 12.572 13.823 ( 13.277 16.837 4.635) 21.937 13.935 ( -0.375 10.776 4.778) 11.794 14.357 ( -0.041 16.382 4.807) 17.073 14.781 ( 5.421 -0.668 0.312) 5.471 15.073 ( -2.737 8.863 3.052) 9.765 15.323 ( -0.717 10.622 -1.924) 10.819 15.849 ( 4.067 -4.610 10.328) 12.019 16.326 ( -4.282 -13.766 17.670) 22.805 17.905 ( -1.287 -10.333 -1.258) 10.488 18.337 ( 1.498 -5.977 -3.998) 7.345 18.873 ( -0.535 5.016 8.129) 9.567 19.545 ( -2.789 0.818 0.607) 2.969 19.769 ( 0.183 -2.336 -1.122) 2.598 20.183 ( -0.161 -2.026 -7.407) 7.681 20.333 ( -1.771 -1.421 0.831) 2.418 20.505 ( -4.496 -4.577 -0.052) 6.416 20.900 ( 3.631 15.526 -8.987) 18.303 21.130 ( 0.754 4.750 7.227) 8.681 21.791 ( -0.743 -3.906 0.996) 4.099 22.757 ( -1.711 27.616 -7.422) 28.647 29.004 ( -2.510 -6.342 -3.350) 7.599 29.338 ( -0.260 -4.216 -0.971) 4.334 29.476 ( 4.289 -7.569 -1.127) 8.773 29.878 ( -2.480 0.621 0.372) 2.583 37.245 ( 9.980 6.064 5.537) 12.924 37.896 ( -7.241 12.829 2.897) 15.013 38.183 ( 8.166 15.170 0.260) 17.230 38.889 ( 4.228 3.615 5.243) 7.644 39.133 ( -1.916 12.997 -10.320) 16.706 39.696 ( -4.202 -21.329 2.171) 21.847 40.611 ( -1.093 -33.850 8.562) 34.933 41.391 ( -1.492 -17.010 -7.789) 18.768 ======================= Grid point 155 (57/85) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -0.000 -10.563 -2.768) 10.920 2.409 ( -0.000 -15.263 -17.033) 22.871 3.135 ( -0.000 -6.805 -13.723) 15.318 3.968 ( -0.000 -30.100 -35.060) 46.208 4.294 ( -0.000 -30.293 -28.280) 41.442 5.677 ( -0.000 -56.289 -21.552) 60.274 6.341 ( -0.000 0.506 -2.502) 2.553 6.508 ( 0.000 3.297 3.264) 4.639 7.078 ( 0.000 -4.121 10.155) 10.959 7.343 ( -0.000 -6.643 -9.086) 11.255 7.480 ( 0.000 -6.548 4.255) 7.809 7.700 ( -0.000 -5.400 -6.094) 8.142 8.091 ( -0.000 -7.167 -3.981) 8.198 8.366 ( 0.000 -17.266 1.718) 17.351 8.603 ( 0.000 10.059 6.813) 12.149 9.266 ( 0.000 -9.561 -0.333) 9.567 9.604 ( -0.000 -14.002 -2.035) 14.149 9.786 ( 0.000 2.282 5.848) 6.278 9.989 ( -0.000 0.348 -1.072) 1.127 10.373 ( 0.000 1.519 1.944) 2.467 10.546 ( 0.000 3.217 0.659) 3.284 11.141 ( 0.000 6.576 1.248) 6.693 11.341 ( -0.000 6.730 -7.300) 9.929 11.706 ( -0.000 2.518 -1.413) 2.887 12.102 ( 0.000 -3.503 5.441) 6.471 12.431 ( -0.000 -5.572 -0.652) 5.610 12.990 ( -0.000 -14.343 -14.163) 20.157 13.441 ( 0.000 17.389 5.259) 18.167 13.916 ( 0.000 18.490 4.475) 19.024 14.162 ( 0.000 11.008 9.738) 14.697 14.461 ( -0.000 10.097 -3.580) 10.713 14.824 ( 0.000 5.721 6.882) 8.950 15.183 ( 0.000 6.729 1.998) 7.019 15.422 ( -0.000 21.045 -0.474) 21.050 15.978 ( 0.000 -3.680 11.619) 12.188 16.553 ( 0.000 -17.928 21.630) 28.094 17.829 ( 0.000 -9.009 -0.031) 9.010 18.231 ( -0.000 -6.656 -2.836) 7.235 19.037 ( 0.000 3.331 8.287) 8.932 19.578 ( 0.000 0.287 0.416) 0.506 19.725 ( -0.000 -1.084 -2.333) 2.572 20.020 ( -0.000 -5.190 -9.352) 10.695 20.366 ( -0.000 2.101 -0.397) 2.138 20.508 ( 0.000 -5.099 1.773) 5.398 20.798 ( -0.000 19.015 -15.397) 24.467 21.289 ( 0.000 4.192 8.388) 9.377 21.791 ( 0.000 -5.028 2.234) 5.502 22.802 ( -0.000 33.486 -16.615) 37.382 28.919 ( -0.000 -6.431 -3.221) 7.192 29.290 ( -0.000 -4.100 -1.208) 4.274 29.383 ( -0.000 -7.397 -0.974) 7.460 29.902 ( 0.000 0.330 0.546) 0.638 37.319 ( 0.000 6.261 6.591) 9.091 38.103 ( 0.000 9.571 4.510) 10.580 38.218 ( -0.000 15.651 -0.242) 15.653 38.972 ( 0.000 2.755 6.087) 6.681 39.075 ( -0.000 9.638 -8.532) 12.872 39.617 ( 0.000 -18.127 1.508) 18.190 40.400 ( -0.000 -23.834 -9.780) 25.763 41.328 ( 0.000 -37.997 25.089) 45.532 ======================= Grid point 186 (58/85) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 0.000 -0.000 7.567) 7.567 2.926 ( 0.000 -0.000 19.577) 19.577 3.162 ( -0.000 0.000 -3.342) 3.342 3.316 ( 0.000 -0.000 3.168) 3.168 5.286 ( -0.000 0.000 -12.984) 12.984 5.396 ( 0.000 -0.000 30.602) 30.602 6.630 ( -0.000 0.000 -1.127) 1.127 7.194 ( -0.000 0.000 -8.050) 8.050 7.302 ( 0.000 -0.000 30.247) 30.247 7.418 ( 0.000 -0.000 6.342) 6.342 7.493 ( 0.000 -0.000 3.696) 3.696 7.843 ( 0.000 -0.000 27.705) 27.705 8.107 ( 0.000 -0.000 3.296) 3.296 8.619 ( -0.000 0.000 -7.428) 7.428 8.904 ( 0.000 -0.000 32.805) 32.805 9.048 ( 0.000 -0.000 4.092) 4.092 9.262 ( -0.000 0.000 -8.880) 8.880 10.001 ( 0.000 -0.000 14.186) 14.186 10.042 ( 0.000 -0.000 4.882) 4.882 10.143 ( -0.000 0.000 -1.385) 1.385 10.703 ( 0.000 -0.000 1.875) 1.875 11.285 ( -0.000 0.000 -15.054) 15.054 11.505 ( -0.000 0.000 -11.639) 11.639 11.635 ( 0.000 -0.000 19.965) 19.965 11.754 ( 0.000 -0.000 1.297) 1.297 12.477 ( 0.000 -0.000 8.455) 8.455 13.354 ( 0.000 -0.000 2.531) 2.531 13.388 ( -0.000 0.000 -14.492) 14.492 13.946 ( -0.000 0.000 -2.417) 2.417 14.104 ( -0.000 0.000 -6.639) 6.639 14.566 ( -0.000 0.000 -9.591) 9.591 14.740 ( -0.000 0.000 -3.683) 3.683 14.875 ( -0.000 0.000 -9.733) 9.733 14.988 ( -0.000 0.000 -11.312) 11.312 15.536 ( -0.000 0.000 -10.270) 10.270 16.007 ( -0.000 0.000 -5.809) 5.809 17.314 ( -0.000 0.000 -0.212) 0.212 18.296 ( 0.000 -0.000 4.872) 4.872 18.444 ( -0.000 0.000 -8.568) 8.568 19.618 ( -0.000 0.000 -4.491) 4.491 19.626 ( -0.000 0.000 -0.816) 0.816 20.390 ( -0.000 0.000 -0.303) 0.303 20.519 ( 0.000 -0.000 10.025) 10.025 20.540 ( 0.000 -0.000 2.425) 2.425 21.156 ( -0.000 0.000 -4.623) 4.623 21.257 ( 0.000 -0.000 2.731) 2.731 21.656 ( -0.000 0.000 -1.972) 1.972 23.763 ( -0.000 0.000 -18.019) 18.019 28.836 ( 0.000 -0.000 2.380) 2.380 29.341 ( 0.000 -0.000 3.294) 3.294 29.449 ( 0.000 -0.000 5.162) 5.162 30.023 ( 0.000 -0.000 2.061) 2.061 37.220 ( -0.000 0.000 -6.889) 6.889 37.490 ( -0.000 0.000 -5.392) 5.392 38.241 ( -0.000 0.000 -14.183) 14.183 38.916 ( 0.000 -0.000 2.080) 2.080 38.946 ( -0.000 0.000 -2.754) 2.754 39.284 ( 0.000 -0.000 8.778) 8.778 40.409 ( 0.000 -0.000 19.727) 19.727 41.987 ( 0.000 -0.000 30.338) 30.338 ======================= Grid point 187 (59/85) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -5.920 -3.418 -3.069) 7.493 3.011 ( -4.423 -2.554 1.855) 5.434 3.227 ( 1.971 1.138 -4.372) 4.929 3.390 ( 8.970 5.179 0.829) 10.390 5.256 ( -4.260 -2.460 12.730) 13.648 5.952 ( 11.567 6.678 27.243) 30.341 6.536 ( -1.820 -1.051 -7.366) 7.660 6.904 ( -18.004 -10.394 -7.640) 22.148 7.176 ( -15.266 -8.814 -2.174) 17.761 7.517 ( 1.653 0.954 5.599) 5.916 7.935 ( 13.131 7.581 12.919) 19.920 8.081 ( -0.221 -0.127 -0.545) 0.601 8.436 ( 11.990 6.923 7.246) 15.627 8.535 ( 2.719 1.570 4.375) 5.385 9.090 ( -2.481 -1.432 10.793) 11.166 9.242 ( 6.840 3.949 5.730) 9.758 9.491 ( 0.628 0.362 31.995) 32.003 9.941 ( -12.764 -7.369 6.092) 15.948 10.179 ( 0.410 0.237 2.665) 2.707 10.304 ( 5.806 3.352 6.063) 9.039 10.781 ( -2.913 -1.682 10.909) 11.416 10.989 ( -3.967 -2.291 -14.564) 15.267 11.344 ( 1.804 1.042 -7.580) 7.861 11.785 ( -1.157 -0.668 4.693) 4.880 12.036 ( 12.946 7.474 11.439) 18.823 12.596 ( -7.684 -4.436 14.448) 16.955 12.978 ( -18.735 -10.817 -13.273) 25.380 13.392 ( 7.721 4.458 -8.855) 12.566 13.865 ( -9.231 -5.330 -13.553) 17.242 13.955 ( 1.729 0.998 -2.355) 3.088 14.390 ( -0.864 -0.499 -14.170) 14.205 14.700 ( 1.839 1.062 -3.063) 3.727 14.767 ( 5.938 3.429 -12.823) 14.541 14.906 ( 10.441 6.028 -2.576) 12.328 15.395 ( -9.317 -5.379 2.237) 10.989 15.938 ( 6.156 3.554 -5.481) 8.976 17.415 ( 8.489 4.901 2.583) 10.136 18.337 ( -0.445 -0.257 -4.049) 4.081 18.394 ( 4.730 2.731 1.813) 5.754 19.525 ( -0.618 -0.357 -6.546) 6.584 19.605 ( -1.032 -0.596 -1.058) 1.594 20.366 ( -2.689 -1.552 -0.043) 3.105 20.556 ( -3.231 -1.865 3.220) 4.928 20.601 ( -5.028 -2.903 3.763) 6.918 21.108 ( 2.130 1.230 -2.631) 3.601 21.322 ( 0.469 0.271 5.236) 5.264 21.624 ( 0.891 0.515 -3.006) 3.178 23.395 ( -8.911 -5.145 -18.162) 20.874 28.883 ( 0.851 0.491 2.320) 2.520 29.405 ( 1.127 0.651 3.267) 3.516 29.533 ( 0.314 0.181 5.534) 5.546 30.031 ( -3.180 -1.836 2.053) 4.206 37.136 ( 3.227 1.863 -5.981) 7.047 37.460 ( 6.046 3.491 -6.335) 9.427 38.041 ( 2.819 1.628 -14.290) 14.656 38.879 ( 0.696 0.402 -4.166) 4.243 38.947 ( 5.287 3.052 -4.856) 7.800 39.480 ( -3.293 -1.901 17.848) 18.248 40.653 ( -5.705 -3.294 17.065) 18.292 42.427 ( 0.714 0.412 25.237) 25.251 ======================= Grid point 188 (60/85) ======================= q-point: (-0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( -8.036 -4.639 -2.253) 9.548 2.957 ( 2.097 1.211 -6.659) 7.086 3.084 ( -10.953 -6.324 -0.581) 12.661 3.482 ( 1.750 1.010 -2.689) 3.363 5.439 ( -8.228 -4.751 19.256) 21.472 6.276 ( -27.322 -15.775 2.945) 31.686 6.495 ( 3.308 1.910 -0.149) 3.823 6.627 ( 10.262 5.925 9.892) 15.435 6.949 ( -3.425 -1.978 -5.555) 6.819 7.616 ( 3.753 2.167 0.363) 4.349 7.938 ( -8.825 -5.095 -3.089) 10.649 8.258 ( 9.780 5.646 4.191) 12.046 8.534 ( 10.252 5.919 -3.582) 12.368 8.754 ( 2.175 1.255 7.650) 8.051 9.159 ( -7.550 -4.359 4.656) 9.884 9.652 ( 4.466 2.578 18.594) 19.296 9.707 ( -9.796 -5.656 11.000) 15.778 10.046 ( -2.957 -1.707 20.426) 20.709 10.111 ( -10.231 -5.907 1.965) 11.976 10.360 ( 1.672 0.965 -6.118) 6.416 10.751 ( -10.323 -5.960 4.902) 12.888 10.955 ( 6.891 3.979 1.336) 8.069 11.372 ( 8.613 4.973 -0.640) 9.966 11.801 ( -8.969 -5.178 2.766) 10.720 12.287 ( 0.778 0.449 -1.598) 1.833 12.473 ( -6.952 -4.014 -1.075) 8.099 12.792 ( -6.773 -3.910 15.433) 17.301 13.101 ( -14.089 -8.134 -22.839) 28.041 13.665 ( 7.345 4.241 -5.959) 10.365 13.843 ( 0.578 0.334 -11.617) 11.637 14.227 ( 4.342 2.507 -7.996) 9.438 14.581 ( 11.752 6.785 -18.014) 22.553 14.879 ( 5.811 3.355 3.826) 7.724 15.073 ( 3.236 1.868 4.699) 6.004 15.360 ( 0.626 0.361 6.666) 6.705 16.090 ( 15.881 9.169 2.484) 18.506 17.621 ( 9.733 5.619 4.421) 12.077 18.258 ( -2.135 -1.233 -2.813) 3.741 18.543 ( 9.028 5.212 2.591) 10.742 19.390 ( -1.831 -1.057 -8.345) 8.608 19.574 ( -1.436 -0.829 -0.004) 1.658 20.302 ( -5.316 -3.069 -0.006) 6.138 20.457 ( -10.380 -5.993 -1.059) 12.032 20.572 ( -4.322 -2.495 3.124) 5.888 21.105 ( 1.851 1.069 -3.664) 4.242 21.428 ( 0.400 0.231 5.707) 5.726 21.608 ( 2.696 1.556 -1.021) 3.276 22.963 ( -10.593 -6.116 -16.563) 20.590 28.924 ( -0.177 -0.102 2.074) 2.084 29.456 ( -1.275 -0.736 2.916) 3.266 29.641 ( 2.940 1.697 4.986) 6.032 29.983 ( -6.357 -3.670 1.622) 7.518 37.152 ( 8.675 5.009 -4.251) 10.882 37.467 ( 7.399 4.272 -6.786) 10.911 37.895 ( 6.075 3.507 -13.489) 15.204 38.828 ( 2.379 1.373 -5.423) 6.079 38.958 ( 6.945 4.010 -6.181) 10.125 39.699 ( -7.184 -4.148 20.699) 22.299 40.744 ( -11.197 -6.465 12.035) 17.664 42.781 ( 1.804 1.042 17.532) 17.655 ======================= Grid point 189 (61/85) ======================= q-point: (-0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -13.913 -8.032 8.389) 18.123 2.819 ( -9.690 -5.594 -2.673) 11.504 2.976 ( -3.059 -1.766 0.952) 3.658 3.371 ( -9.498 -5.483 -1.309) 11.045 5.480 ( -21.745 -12.554 13.023) 28.285 5.828 ( -22.237 -12.838 0.675) 25.685 6.479 ( 3.115 1.799 -3.367) 4.927 6.894 ( 1.105 0.638 6.183) 6.313 7.131 ( 13.005 7.509 13.807) 20.400 7.628 ( 5.529 3.192 -9.751) 11.655 7.753 ( -10.889 -6.287 3.200) 12.974 8.417 ( -7.581 -4.377 0.101) 8.754 8.531 ( -1.176 -0.679 -1.322) 1.895 8.872 ( -18.374 -10.608 3.995) 21.590 9.024 ( 15.510 8.955 -2.524) 18.087 9.459 ( -22.206 -12.821 -1.675) 25.696 9.875 ( -20.317 -11.730 14.052) 27.346 9.992 ( -4.318 -2.493 0.336) 4.998 10.275 ( 11.214 6.474 4.466) 13.697 10.380 ( -0.284 -0.164 4.347) 4.360 10.663 ( -9.875 -5.702 4.677) 12.325 11.097 ( 3.772 2.178 0.289) 4.365 11.373 ( -6.665 -3.848 -7.692) 10.881 11.637 ( -3.107 -1.794 2.610) 4.437 12.185 ( -20.414 -11.786 -11.129) 26.067 12.355 ( 6.387 3.688 4.790) 8.794 12.799 ( 7.813 4.511 -1.016) 9.079 12.968 ( 4.243 2.450 4.599) 6.720 13.556 ( -2.196 -1.268 -9.298) 9.637 13.892 ( 11.651 6.727 0.173) 13.454 14.231 ( 7.939 4.584 -5.718) 10.804 14.552 ( 13.497 7.792 -10.988) 19.069 14.979 ( 5.364 3.097 -3.150) 6.949 15.094 ( -2.483 -1.434 1.609) 3.288 15.654 ( 11.375 6.568 13.162) 18.595 16.483 ( 22.003 12.703 6.774) 26.295 17.852 ( 9.020 5.208 6.023) 12.032 18.193 ( -4.119 -2.378 0.968) 4.853 18.746 ( 12.073 6.970 1.144) 13.988 19.230 ( -2.866 -1.655 -5.753) 6.638 19.567 ( -0.581 -0.336 1.226) 1.398 20.197 ( -7.915 -4.569 0.310) 9.144 20.262 ( -10.636 -6.141 -1.283) 12.348 20.537 ( -4.843 -2.796 1.732) 5.855 21.029 ( -2.159 -1.247 -5.853) 6.361 21.451 ( 0.551 0.318 -2.366) 2.450 21.726 ( 4.434 2.560 7.281) 8.901 22.562 ( -9.215 -5.320 -14.486) 17.974 28.942 ( -1.394 -0.805 2.010) 2.575 29.453 ( -4.105 -2.370 2.458) 5.339 29.759 ( 2.854 1.648 2.605) 4.201 29.884 ( -8.067 -4.657 1.390) 9.418 37.268 ( 11.654 6.728 -3.044) 13.797 37.493 ( 8.683 5.013 -5.335) 11.357 37.829 ( 10.007 5.777 -11.180) 16.078 38.790 ( 3.421 1.975 -5.364) 6.662 38.977 ( 7.475 4.316 -6.370) 10.727 39.881 ( -10.842 -6.260 21.077) 24.514 40.673 ( -15.405 -8.894 6.682) 19.002 43.003 ( 2.735 1.579 5.062) 5.967 ======================= Grid point 190 (62/85) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -14.868 -8.584 11.964) 20.926 2.624 ( -15.859 -9.156 2.666) 18.505 2.899 ( -12.634 -7.294 6.501) 15.972 3.300 ( -7.681 -4.435 14.315) 16.840 5.108 ( -41.121 -23.741 11.455) 48.844 5.750 ( 3.272 1.889 3.145) 4.916 6.476 ( 0.905 0.522 -0.385) 1.113 7.055 ( 1.115 0.644 9.894) 9.977 7.435 ( -7.588 -4.381 8.781) 12.404 7.525 ( 4.182 2.415 -1.681) 5.114 7.727 ( 0.516 0.298 -4.262) 4.304 7.744 ( -57.753 -33.344 2.981) 66.754 8.591 ( -0.478 -0.276 -5.609) 5.636 8.638 ( 3.239 1.870 -8.585) 9.364 8.959 ( -26.196 -15.124 -6.942) 31.034 9.403 ( 21.500 12.413 2.219) 24.925 9.755 ( -13.326 -7.693 3.515) 15.783 9.857 ( -14.158 -8.174 4.901) 17.067 10.268 ( -9.969 -5.756 -4.897) 12.510 10.471 ( -2.863 -1.653 3.340) 4.699 10.677 ( 8.557 4.940 1.931) 10.068 10.876 ( -10.750 -6.206 -9.381) 15.559 11.349 ( -0.946 -0.546 -1.174) 1.604 11.504 ( -1.660 -0.958 -2.395) 3.067 12.030 ( 3.053 1.763 4.854) 5.999 12.526 ( -0.367 -0.212 6.255) 6.270 12.922 ( 4.009 2.314 1.587) 4.893 13.113 ( 9.754 5.632 -0.423) 11.271 13.478 ( 5.122 2.957 -0.941) 5.989 14.060 ( 10.653 6.151 -2.590) 12.571 14.269 ( 8.970 5.179 -7.098) 12.557 14.690 ( 11.936 6.891 1.395) 13.853 14.976 ( 6.785 3.917 -7.282) 10.696 15.103 ( 1.885 1.089 -0.158) 2.183 15.994 ( 8.341 4.816 7.637) 12.291 16.891 ( 20.161 11.640 -1.775) 23.348 18.086 ( 7.266 4.195 5.930) 10.274 18.138 ( -6.850 -3.955 1.893) 8.133 18.930 ( 11.461 6.617 -2.716) 13.510 19.222 ( 2.958 1.708 8.897) 9.530 19.594 ( 0.671 0.388 2.216) 2.348 20.071 ( -9.654 -5.574 2.347) 11.392 20.111 ( -7.891 -4.556 2.098) 9.350 20.478 ( -3.822 -2.207 0.084) 4.414 20.864 ( -5.663 -3.269 -6.832) 9.457 21.413 ( 2.096 1.210 -5.070) 5.618 21.933 ( 5.212 3.009 9.279) 11.060 22.224 ( -7.659 -4.422 -11.274) 14.329 28.945 ( -2.322 -1.340 2.314) 3.541 29.409 ( -5.408 -3.123 1.920) 6.534 29.692 ( -9.997 -5.772 -0.672) 11.563 29.879 ( 1.713 0.989 1.481) 2.471 37.350 ( 6.965 4.021 -6.253) 10.187 37.644 ( 15.351 8.863 0.179) 17.726 37.874 ( 13.507 7.798 -7.196) 17.176 38.781 ( 4.625 2.670 -3.612) 6.447 38.997 ( 7.119 4.110 -6.139) 10.260 39.988 ( -14.783 -8.535 17.814) 24.672 40.494 ( -16.755 -9.674 5.368) 20.078 42.954 ( -1.548 -0.894 -15.788) 15.889 ======================= Grid point 191 (63/85) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -17.919 -10.345 -2.106) 20.798 2.424 ( -14.140 -8.164 8.443) 18.381 2.960 ( -10.218 -5.900 22.825) 25.695 3.549 ( -9.767 -5.639 34.981) 36.754 4.641 ( -40.680 -23.487 13.238) 48.803 5.909 ( 3.109 1.795 6.323) 7.271 6.496 ( -4.348 -2.511 3.551) 6.150 6.708 ( -60.727 -35.061 6.058) 70.383 7.191 ( -0.272 -0.157 5.606) 5.615 7.331 ( -6.941 -4.007 -1.702) 8.193 7.632 ( -6.101 -3.522 6.632) 9.675 7.722 ( 3.754 2.167 -7.491) 8.655 8.285 ( -12.993 -7.501 -9.991) 18.025 8.598 ( -8.803 -5.083 -3.864) 10.875 8.612 ( 1.564 0.903 -5.282) 5.582 9.467 ( -8.227 -4.750 -6.739) 11.647 9.660 ( -8.585 -4.957 6.874) 12.064 9.842 ( 3.810 2.200 3.160) 5.416 10.026 ( -7.102 -4.100 -5.319) 9.775 10.404 ( -2.707 -1.563 -1.040) 3.294 10.607 ( -4.636 -2.676 -7.127) 8.913 10.930 ( 13.177 7.608 4.339) 15.823 11.273 ( -2.663 -1.537 1.232) 3.313 11.613 ( 4.942 2.853 3.516) 6.703 12.140 ( 2.421 1.398 1.027) 2.979 12.511 ( -5.914 -3.415 0.609) 6.856 12.982 ( -5.184 -2.993 6.895) 9.131 13.259 ( 7.532 4.348 3.338) 9.315 13.676 ( 19.559 11.292 -2.902) 22.770 14.146 ( 9.595 5.540 -7.103) 13.161 14.320 ( 7.921 4.573 -2.599) 9.509 14.833 ( 6.027 3.480 -4.408) 8.238 15.081 ( 10.362 5.982 2.031) 12.136 15.158 ( 10.328 5.963 -2.480) 12.181 16.111 ( 2.253 1.301 -3.560) 4.409 16.967 ( 4.356 2.515 -15.815) 16.596 17.983 ( -10.225 -5.903 -1.634) 11.919 18.233 ( 0.521 0.301 3.533) 3.584 19.038 ( 8.830 5.098 -4.696) 11.225 19.516 ( 6.253 3.610 7.335) 10.293 19.663 ( 1.736 1.002 4.525) 4.949 19.995 ( -7.414 -4.281 5.919) 10.408 20.179 ( 3.220 1.859 16.754) 17.161 20.444 ( 1.199 0.692 0.688) 1.546 20.662 ( -6.791 -3.921 -5.432) 9.539 21.359 ( 2.951 1.704 -7.128) 7.900 21.946 ( -6.261 -3.615 -6.682) 9.844 22.247 ( 11.419 6.593 12.994) 18.512 28.941 ( -3.445 -1.989 2.956) 4.956 29.347 ( -5.362 -3.096 1.373) 6.342 29.515 ( -10.010 -5.779 -0.595) 11.574 29.906 ( 0.710 0.410 -0.410) 0.917 37.339 ( 5.309 3.065 -6.915) 9.241 37.915 ( 15.733 9.084 0.611) 18.177 38.026 ( 14.720 8.498 -3.199) 17.295 38.850 ( 7.155 4.131 1.403) 8.380 39.007 ( 5.657 3.266 -5.925) 8.819 39.896 ( -18.967 -10.950 4.736) 22.407 40.399 ( -14.431 -8.332 15.650) 22.861 42.376 ( -19.107 -11.031 -38.458) 44.337 ======================= Grid point 196 (64/85) ======================= q-point: ( 0.33 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -0.000 0.925 -7.134) 7.193 2.936 ( -0.000 -9.365 -2.768) 9.765 3.252 ( -0.000 -1.727 -4.745) 5.049 3.441 ( 0.000 7.801 7.271) 10.664 5.582 ( 0.000 -0.294 23.750) 23.752 6.337 ( 0.000 11.885 19.197) 22.578 6.408 ( -0.000 1.810 -6.622) 6.864 6.731 ( -0.000 -10.767 -10.899) 15.320 7.182 ( 0.000 -22.149 -0.739) 22.162 7.597 ( -0.000 3.391 -1.604) 3.751 8.009 ( 0.000 10.561 6.305) 12.299 8.051 ( -0.000 4.603 -4.929) 6.744 8.431 ( 0.000 1.881 0.808) 2.047 8.619 ( -0.000 12.403 -2.552) 12.663 9.260 ( 0.000 -6.255 17.301) 18.397 9.452 ( 0.000 2.580 18.216) 18.398 10.021 ( 0.000 -7.150 14.515) 16.180 10.085 ( 0.000 -2.044 24.638) 24.722 10.128 ( -0.000 -2.627 -0.456) 2.666 10.437 ( 0.000 -2.177 2.743) 3.502 10.737 ( -0.000 -0.787 -7.913) 7.952 11.034 ( 0.000 0.134 14.213) 14.213 11.232 ( -0.000 10.142 -9.484) 13.886 11.906 ( 0.000 -1.400 9.847) 9.946 12.142 ( 0.000 5.372 6.149) 8.165 12.775 ( -0.000 -10.865 -4.176) 11.640 12.875 ( 0.000 -15.423 -0.294) 15.426 13.248 ( -0.000 9.291 0.046) 9.291 13.649 ( -0.000 -3.171 -17.237) 17.527 13.805 ( -0.000 -9.989 -12.034) 15.640 14.194 ( -0.000 5.521 -13.469) 14.556 14.341 ( -0.000 4.896 -25.731) 26.193 14.827 ( 0.000 0.123 9.292) 9.292 14.982 ( 0.000 8.819 10.754) 13.908 15.491 ( 0.000 -5.851 4.648) 7.472 15.763 ( -0.000 -1.594 -5.606) 5.828 17.505 ( 0.000 13.930 5.331) 14.915 18.279 ( -0.000 3.214 -3.185) 4.525 18.438 ( 0.000 1.939 3.437) 3.946 19.412 ( -0.000 -0.664 -7.710) 7.739 19.594 ( -0.000 -0.104 -1.019) 1.024 20.369 ( 0.000 -3.312 0.375) 3.333 20.609 ( 0.000 -3.962 2.891) 4.904 20.636 ( -0.000 -4.412 -0.642) 4.458 21.048 ( -0.000 0.077 -2.650) 2.651 21.416 ( 0.000 -1.491 6.366) 6.539 21.585 ( -0.000 4.640 -2.510) 5.275 23.101 ( -0.000 -8.039 -19.304) 20.911 28.929 ( 0.000 3.086 2.099) 3.732 29.457 ( 0.000 0.983 3.508) 3.644 29.614 ( 0.000 -0.925 5.466) 5.544 30.065 ( 0.000 -3.587 2.123) 4.168 37.027 ( -0.000 -0.934 -4.394) 4.492 37.374 ( -0.000 8.272 -6.475) 10.505 37.819 ( -0.000 1.735 -13.319) 13.431 38.802 ( -0.000 2.356 -5.999) 6.445 38.876 ( -0.000 7.731 -5.617) 9.556 39.790 ( 0.000 -4.315 21.415) 21.846 40.883 ( 0.000 -8.625 13.140) 15.718 42.757 ( 0.000 1.936 16.499) 16.612 ======================= Grid point 198 (65/85) ======================= q-point: (-0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -2.729 -8.002 10.727) 13.658 2.839 ( 1.616 -6.482 -0.694) 6.717 3.126 ( -4.709 -1.329 -4.816) 6.866 3.546 ( -4.178 5.816 2.084) 7.458 5.825 ( -12.705 -3.362 14.047) 19.236 6.306 ( 3.870 -2.360 -4.629) 6.479 6.489 ( -8.413 -7.048 -2.036) 11.162 6.809 ( 5.932 9.658 18.507) 21.702 6.978 ( -7.136 -3.306 -0.829) 7.909 7.535 ( 1.059 2.181 -8.074) 8.430 7.986 ( -4.734 -2.574 1.373) 5.561 8.227 ( 7.687 6.682 4.171) 11.007 8.457 ( 1.436 7.512 -3.081) 8.245 8.697 ( 11.145 8.211 -5.261) 14.809 9.408 ( -11.332 -15.646 15.878) 25.007 9.755 ( 9.286 -5.812 7.394) 13.217 9.934 ( -12.539 -5.659 2.551) 13.991 10.067 ( -1.097 -8.887 -1.586) 9.094 10.291 ( -3.180 2.760 -0.790) 4.284 10.560 ( -6.916 -1.210 24.593) 25.575 10.831 ( 1.935 4.873 5.665) 7.718 11.048 ( -5.664 5.272 -1.209) 7.831 11.337 ( 4.773 2.271 5.753) 7.812 11.982 ( -15.234 -7.900 7.098) 18.571 12.230 ( 2.728 -2.629 -1.833) 4.209 12.458 ( -0.538 -2.039 -6.418) 6.756 12.751 ( -2.768 -14.635 -10.757) 18.373 13.166 ( -20.061 8.105 -6.815) 22.684 13.478 ( 4.005 -5.575 -8.010) 10.549 13.651 ( 11.247 -2.095 0.867) 11.473 14.044 ( 7.410 4.077 -9.686) 12.859 14.163 ( 14.039 9.852 -18.457) 25.195 14.950 ( -1.756 0.194 5.617) 5.889 15.236 ( -3.216 3.755 10.754) 11.837 15.451 ( -0.123 -1.907 6.234) 6.520 15.903 ( 21.671 -0.351 3.205) 21.910 17.720 ( 2.316 15.717 6.333) 17.103 18.272 ( -2.040 1.894 1.319) 3.080 18.532 ( 4.945 5.264 1.764) 7.435 19.285 ( -1.339 -1.004 -6.439) 6.653 19.580 ( -0.289 0.787 -0.546) 1.000 20.331 ( -2.962 -5.621 1.073) 6.443 20.491 ( -7.004 -6.408 -3.712) 10.193 20.634 ( -1.993 -3.516 2.660) 4.838 21.016 ( 1.904 -0.998 -3.768) 4.339 21.431 ( 0.731 -2.957 -2.493) 3.936 21.667 ( 0.824 7.987 6.069) 10.065 22.728 ( -3.922 -8.015 -17.548) 19.687 28.977 ( -1.087 3.630 1.623) 4.122 29.513 ( -0.850 -0.113 3.274) 3.384 29.692 ( 1.502 -1.021 4.484) 4.837 30.043 ( -3.842 -5.168 1.773) 6.680 37.013 ( 6.962 0.882 -2.580) 7.477 37.354 ( 2.809 9.240 -6.332) 11.548 37.664 ( 3.620 3.322 -11.361) 12.378 38.737 ( 1.184 4.071 -6.114) 7.440 38.861 ( 2.182 9.998 -6.121) 11.924 40.068 ( -4.169 -7.309 22.511) 24.032 40.936 ( -5.857 -12.869 7.888) 16.191 42.953 ( 1.221 1.892 5.590) 6.026 ======================= Grid point 199 (66/85) ======================= q-point: (-0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -5.165 -21.348 7.209) 23.117 2.912 ( -7.048 -5.738 3.228) 9.645 3.095 ( -3.628 5.242 16.505) 17.694 3.507 ( -8.574 3.786 1.713) 9.528 5.766 ( -9.530 -3.254 4.448) 11.009 6.059 ( -27.856 -16.448 2.933) 32.482 6.451 ( 0.613 2.000 1.157) 2.391 7.027 ( 3.039 8.158 5.536) 10.317 7.181 ( 11.239 7.025 2.168) 13.430 7.473 ( 1.503 3.503 0.575) 3.855 7.923 ( -10.564 -2.403 4.597) 11.769 8.365 ( 4.242 -1.190 -3.652) 5.722 8.491 ( 4.150 6.859 -1.429) 8.143 8.827 ( 14.478 7.536 -5.620) 17.262 9.224 ( -21.275 -24.756 7.357) 33.461 9.422 ( -21.740 -21.478 -8.629) 31.756 9.935 ( -2.901 -8.321 -2.863) 9.266 10.141 ( 5.522 -0.417 9.941) 11.379 10.340 ( -2.702 7.289 3.223) 8.416 10.624 ( -18.046 2.796 5.745) 19.143 10.806 ( -11.562 -9.321 3.173) 15.186 11.139 ( 0.171 3.615 4.038) 5.422 11.353 ( -8.231 -3.392 -2.523) 9.254 11.694 ( -11.188 -3.990 -2.011) 12.047 12.149 ( -16.193 -2.210 -12.585) 20.627 12.393 ( 10.315 -1.440 7.629) 12.910 12.614 ( 12.245 -4.318 -2.140) 13.159 13.024 ( -2.438 11.322 -5.820) 12.962 13.422 ( 6.688 0.984 -3.923) 7.816 13.777 ( 13.143 -5.343 -1.920) 14.317 14.062 ( 5.796 9.807 -9.050) 14.549 14.303 ( 19.398 3.495 4.490) 20.216 14.953 ( -3.344 4.336 -1.957) 5.815 15.218 ( -10.341 2.044 2.413) 10.813 15.749 ( 11.903 -0.188 13.635) 18.101 16.259 ( 28.193 -1.468 2.660) 28.357 17.951 ( 2.931 12.513 6.440) 14.375 18.289 ( -5.031 0.138 4.546) 6.782 18.669 ( 8.950 7.189 -1.184) 11.540 19.207 ( -0.744 0.443 0.418) 0.961 19.590 ( 0.267 2.375 0.563) 2.456 20.260 ( -5.665 -6.866 2.226) 9.175 20.302 ( -7.423 -5.438 -2.881) 9.642 20.601 ( -4.773 -2.873 1.239) 5.707 20.941 ( -0.947 -2.859 -5.164) 5.978 21.362 ( 1.739 -0.959 -5.860) 6.187 21.849 ( 1.979 7.746 7.445) 10.924 22.376 ( -4.699 -6.660 -14.082) 16.271 29.002 ( -2.267 2.891 1.456) 3.952 29.522 ( -3.718 -2.789 2.771) 5.411 29.770 ( 2.659 -0.208 2.080) 3.383 29.959 ( -6.996 -6.292 1.316) 9.501 37.116 ( 12.049 2.969 -1.433) 12.492 37.367 ( 5.081 7.560 -5.521) 10.651 37.621 ( 7.995 8.452 -7.582) 13.887 38.699 ( 2.287 4.772 -5.138) 7.376 38.872 ( 3.239 11.114 -6.271) 13.166 40.275 ( -8.603 -11.001 21.641) 25.756 40.828 ( -10.287 -15.183 4.346) 18.847 42.959 ( 0.508 0.102 -8.238) 8.255 ======================= Grid point 200 (67/85) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -5.098 -18.847 7.584) 20.946 2.720 ( -13.798 -7.584 -2.970) 16.022 3.253 ( -11.805 3.038 8.165) 14.672 3.723 ( -4.363 0.932 35.577) 35.855 5.604 ( -35.298 -19.146 8.740) 41.096 5.803 ( -0.981 1.532 5.420) 5.717 6.501 ( -0.087 4.020 1.800) 4.405 7.130 ( 10.356 4.556 -12.856) 17.126 7.250 ( 2.862 6.322 -2.228) 7.288 7.653 ( 0.505 -0.989 11.298) 11.353 7.837 ( -13.327 -3.859 4.008) 14.442 8.185 ( -21.069 -9.585 -1.941) 23.228 8.504 ( -2.111 -9.552 -3.554) 10.409 8.596 ( -28.070 -13.869 -2.230) 31.389 8.914 ( -7.439 -13.556 -8.210) 17.507 9.248 ( 16.311 5.604 1.650) 17.326 9.725 ( -6.314 -10.257 -6.969) 13.916 10.163 ( -15.176 -1.586 2.479) 15.459 10.325 ( -10.805 -1.808 -4.618) 11.889 10.523 ( -5.501 -7.386 5.616) 10.786 10.721 ( -1.712 3.332 5.229) 6.432 10.920 ( -19.809 -0.530 -5.283) 20.508 11.369 ( -0.845 -1.570 1.738) 2.490 11.521 ( -4.737 6.111 0.225) 7.735 12.055 ( 3.454 1.918 1.981) 4.419 12.513 ( 6.837 -11.823 -1.059) 13.699 12.761 ( 15.140 2.165 -1.856) 15.406 13.081 ( 8.593 13.506 -1.144) 16.048 13.488 ( 3.129 5.275 1.165) 6.243 13.870 ( 13.275 -5.233 -2.507) 14.488 14.084 ( 9.875 9.798 -7.843) 15.970 14.628 ( 11.383 0.031 7.912) 13.862 14.931 ( -0.300 8.990 -1.243) 9.080 15.143 ( -7.190 2.719 -0.311) 7.694 16.012 ( 6.356 -1.125 4.856) 8.078 16.574 ( 25.827 -2.961 -4.138) 26.324 18.144 ( 1.474 4.087 5.457) 6.975 18.251 ( -7.903 -1.924 2.072) 8.394 18.793 ( 10.394 5.548 -3.556) 12.307 19.335 ( 5.616 3.085 9.171) 11.188 19.642 ( 0.818 5.156 2.536) 5.804 20.151 ( -5.705 -3.101 -0.262) 6.498 20.226 ( -4.759 -5.621 7.353) 10.408 20.527 ( -5.789 -0.806 -0.522) 5.868 20.801 ( -4.386 -4.331 -4.962) 7.913 21.285 ( 3.027 0.665 -7.776) 8.371 22.028 ( 1.399 4.922 0.960) 5.206 22.119 ( -1.611 -1.773 -3.358) 4.124 29.012 ( -2.730 1.468 1.848) 3.608 29.478 ( -5.259 -4.746 2.143) 7.401 29.757 ( -7.067 -2.647 -1.028) 7.616 29.882 ( -0.565 -3.925 1.322) 4.180 37.233 ( 5.569 7.258 -4.013) 9.990 37.452 ( 16.320 1.326 -2.099) 16.507 37.745 ( 10.945 15.873 -2.588) 19.453 38.710 ( 4.303 4.964 -2.289) 6.957 38.894 ( 3.581 11.023 -6.206) 13.147 40.314 ( -14.929 -16.618 10.436) 24.657 40.704 ( -10.444 -13.911 12.943) 21.682 42.666 ( -6.714 -4.365 -24.108) 25.403 ======================= Grid point 201 (68/85) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -18.856 -6.310 -3.798) 20.244 2.570 ( -2.080 -19.887 11.149) 22.893 3.285 ( -6.228 7.219 5.971) 11.250 4.314 ( -8.742 -2.870 48.795) 49.655 5.172 ( -38.785 -17.809 10.267) 43.896 5.968 ( 7.072 -2.369 8.240) 11.114 6.496 ( -2.297 2.537 -7.415) 8.167 7.005 ( 7.503 3.469 -18.073) 19.873 7.180 ( -18.683 -9.587 -4.580) 21.493 7.485 ( -24.754 -9.955 3.971) 26.974 7.672 ( -13.095 -13.988 3.688) 19.513 7.932 ( -17.988 -1.334 12.045) 21.690 8.243 ( -6.385 -9.885 2.804) 12.097 8.412 ( 2.815 -6.126 -4.455) 8.081 8.748 ( -9.476 2.417 -2.334) 10.055 9.342 ( 3.961 2.316 -10.459) 11.421 9.635 ( 9.533 -4.848 1.008) 10.743 9.948 ( -14.889 -9.239 0.821) 17.541 10.095 ( -10.657 2.891 -5.233) 12.219 10.458 ( -8.597 -6.539 4.925) 11.871 10.662 ( -13.162 2.020 -0.734) 13.336 10.935 ( 6.386 10.386 5.747) 13.479 11.347 ( -2.288 -1.377 3.459) 4.370 11.625 ( 3.238 3.845 3.241) 5.981 12.115 ( 1.968 0.358 -1.229) 2.348 12.451 ( 3.017 -11.446 -2.459) 12.090 12.891 ( 17.481 1.423 -6.597) 18.739 13.299 ( 7.444 1.927 4.842) 9.087 13.615 ( 4.220 13.159 2.440) 14.033 13.915 ( 9.339 1.653 -7.235) 11.929 14.201 ( 12.978 6.709 -3.065) 14.928 14.759 ( 1.538 5.576 -0.375) 5.797 15.043 ( 5.197 1.297 -1.959) 5.704 15.128 ( 2.454 7.120 4.350) 8.697 16.026 ( -1.299 -1.342 -4.991) 5.330 16.638 ( 9.869 -6.072 -12.867) 17.315 18.055 ( -10.224 -7.867 -0.003) 12.900 18.309 ( -1.101 1.872 5.356) 5.780 18.874 ( 9.412 3.742 -5.929) 11.736 19.512 ( 4.940 -1.377 2.313) 5.626 19.746 ( -0.204 2.931 3.739) 4.755 20.120 ( -2.697 -1.033 4.390) 5.255 20.347 ( -0.380 -5.476 9.662) 11.112 20.492 ( 2.947 5.940 2.862) 7.222 20.657 ( -5.220 -1.212 -0.616) 5.394 21.201 ( 3.703 1.902 -9.206) 10.104 21.891 ( -3.675 -3.371 -4.592) 6.779 22.334 ( 11.365 10.049 8.217) 17.253 29.016 ( -2.880 -1.050 2.786) 4.143 29.406 ( -5.305 -5.126 1.344) 7.499 29.602 ( -10.917 -2.601 -0.637) 11.241 29.882 ( 1.551 -2.395 -0.319) 2.871 37.248 ( 1.099 9.811 -5.391) 11.248 37.680 ( 21.583 -0.430 -0.045) 21.588 37.975 ( 10.068 18.265 -1.058) 20.883 38.827 ( 8.522 5.417 3.237) 10.604 38.914 ( 3.442 9.531 -5.308) 11.439 40.047 ( -18.163 -18.319 -0.040) 25.797 40.770 ( -11.491 -14.420 20.998) 27.944 41.995 ( -20.559 -10.405 -31.919) 39.367 ======================= Grid point 207 (69/85) ======================= q-point: ( 0.44 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 0.000 -24.070 4.781) 24.540 2.970 ( 0.000 -2.278 12.463) 12.669 3.143 ( 0.000 7.628 11.306) 13.639 3.622 ( -0.000 5.665 -1.537) 5.870 5.965 ( -0.000 -4.908 -2.537) 5.525 6.260 ( 0.000 2.479 3.481) 4.273 6.514 ( 0.000 -7.331 2.478) 7.738 6.935 ( -0.000 -1.472 -3.808) 4.082 7.138 ( 0.000 14.185 12.959) 19.213 7.464 ( 0.000 1.677 0.607) 1.784 8.040 ( 0.000 0.265 4.387) 4.395 8.274 ( -0.000 0.946 0.026) 0.946 8.503 ( -0.000 6.704 -1.086) 6.791 8.552 ( -0.000 9.432 -5.935) 11.144 9.362 ( -0.000 -36.555 -7.589) 37.335 9.784 ( 0.000 -7.865 9.906) 12.648 9.949 ( -0.000 -3.110 -5.678) 6.474 10.100 ( 0.000 -0.269 8.291) 8.295 10.358 ( 0.000 4.729 4.722) 6.683 10.899 ( -0.000 6.236 -2.795) 6.834 10.979 ( 0.000 1.473 13.829) 13.907 11.066 ( 0.000 -3.431 8.019) 8.722 11.425 ( 0.000 -3.963 4.114) 5.712 12.087 ( -0.000 -12.638 -11.202) 16.888 12.155 ( -0.000 -9.454 -2.756) 9.847 12.302 ( 0.000 0.491 6.311) 6.330 12.611 ( -0.000 2.887 -8.102) 8.601 13.139 ( -0.000 5.255 -11.386) 12.540 13.250 ( -0.000 -3.213 -13.015) 13.406 13.583 ( -0.000 -0.976 -8.852) 8.905 13.873 ( -0.000 8.102 -0.541) 8.120 14.058 ( 0.000 6.715 6.944) 9.659 15.037 ( 0.000 -1.463 2.215) 2.654 15.445 ( 0.000 -1.743 10.337) 10.482 15.519 ( 0.000 -2.980 5.363) 6.135 15.834 ( 0.000 1.111 7.304) 7.388 17.923 ( 0.000 16.138 6.310) 17.328 18.358 ( 0.000 1.278 5.621) 5.765 18.550 ( -0.000 7.129 -1.193) 7.228 19.221 ( -0.000 0.256 -1.771) 1.789 19.583 ( -0.000 2.783 -0.384) 2.809 20.329 ( 0.000 -8.487 2.858) 8.955 20.409 ( -0.000 -4.927 -6.339) 8.028 20.658 ( 0.000 -4.556 2.427) 5.163 20.943 ( -0.000 -1.207 -3.529) 3.730 21.341 ( -0.000 -1.779 -5.944) 6.204 21.827 ( 0.000 9.286 6.690) 11.445 22.435 ( -0.000 -7.548 -15.363) 17.117 29.034 ( 0.000 5.144 0.695) 5.191 29.572 ( 0.000 -0.300 3.362) 3.375 29.724 ( 0.000 -3.795 3.054) 4.872 30.052 ( 0.000 -6.339 1.426) 6.497 36.948 ( -0.000 1.164 -1.005) 1.537 37.321 ( -0.000 12.021 -5.408) 13.181 37.516 ( -0.000 5.200 -8.163) 9.679 38.671 ( -0.000 5.625 -5.648) 7.971 38.835 ( -0.000 13.465 -6.454) 14.932 40.381 ( 0.000 -11.808 22.752) 25.633 40.955 ( 0.000 -17.286 4.097) 17.765 42.950 ( -0.000 0.382 -6.161) 6.173 ======================= Grid point 209 (70/85) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -0.842 -23.084 6.122) 23.897 2.967 ( -5.506 -0.791 -0.224) 5.567 3.462 ( -4.895 2.896 2.660) 6.279 3.762 ( 0.114 4.630 32.550) 32.878 5.873 ( -6.444 -0.249 0.974) 6.522 6.259 ( -11.793 -7.493 1.533) 14.056 6.480 ( 2.029 -0.196 1.510) 2.537 6.827 ( 7.965 4.177 -17.501) 19.677 7.353 ( -7.798 9.088 8.111) 14.464 7.624 ( 1.428 4.333 13.289) 14.050 8.089 ( -5.413 -0.377 4.064) 6.779 8.220 ( 2.202 -4.499 -5.343) 7.323 8.475 ( 2.741 2.486 -3.529) 5.114 8.669 ( 7.764 6.632 -1.082) 10.268 8.957 ( 1.722 -31.937 -8.781) 33.167 9.608 ( -14.402 -10.146 -8.507) 19.563 9.908 ( -7.429 -10.306 4.081) 13.344 10.239 ( 0.760 -3.289 10.251) 10.793 10.432 ( -2.245 -1.776 2.580) 3.854 10.747 ( -7.140 1.111 -8.921) 11.481 10.995 ( -15.361 -11.155 3.891) 19.378 11.199 ( 0.938 0.605 3.656) 3.822 11.362 ( -3.406 -4.855 -3.511) 6.892 11.841 ( -7.230 1.371 2.617) 7.810 12.128 ( 6.469 -2.889 -6.871) 9.869 12.268 ( -12.149 -1.893 -4.041) 12.943 12.530 ( 3.984 2.588 -0.289) 4.759 12.973 ( 0.694 8.294 -9.551) 12.669 13.302 ( 12.371 7.359 0.078) 14.395 13.528 ( 9.763 -6.656 0.397) 11.823 13.894 ( 7.046 14.958 -11.254) 20.001 14.388 ( 6.188 0.759 19.598) 20.565 15.003 ( -3.648 2.196 -2.098) 4.747 15.404 ( -12.252 -1.472 2.557) 12.602 15.753 ( 16.035 -7.858 10.137) 20.534 16.031 ( 11.793 0.295 4.381) 12.584 18.123 ( 0.074 11.645 6.820) 13.496 18.413 ( -4.559 -2.878 3.959) 6.689 18.592 ( 5.555 6.561 -3.739) 9.375 19.262 ( 1.163 3.783 4.833) 6.247 19.618 ( 0.832 5.529 0.802) 5.648 20.266 ( -3.040 -3.004 -4.926) 6.521 20.317 ( -2.166 -7.938 5.115) 9.688 20.641 ( -2.635 -3.992 1.144) 4.919 20.871 ( -1.563 -2.115 -3.585) 4.446 21.231 ( 1.231 -0.364 -8.103) 8.204 21.988 ( 0.909 10.145 3.892) 10.904 22.175 ( -1.490 -5.849 -9.866) 11.566 29.065 ( -1.394 4.683 0.108) 4.887 29.589 ( -3.665 -3.274 2.803) 5.658 29.746 ( 3.128 -4.014 1.084) 5.203 29.998 ( -4.113 -6.884 0.786) 8.057 36.999 ( 7.898 1.699 -0.006) 8.078 37.328 ( -1.259 12.027 -4.525) 12.911 37.516 ( 7.057 11.365 -3.663) 13.870 38.643 ( 1.375 6.104 -4.094) 7.478 38.839 ( 1.062 14.929 -6.728) 16.410 40.569 ( -5.689 -18.932 16.027) 25.449 40.878 ( -3.777 -17.501 8.586) 19.857 42.755 ( -1.449 -2.630 -17.537) 17.792 ======================= Grid point 210 (71/85) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 0.915 -21.864 8.241) 23.384 2.810 ( -16.465 -2.374 -3.385) 16.976 3.391 ( -2.119 4.512 -2.523) 5.587 4.437 ( -1.473 0.998 46.956) 46.990 5.835 ( -7.377 -4.542 3.567) 9.369 6.005 ( -18.096 -6.576 0.330) 19.257 6.540 ( 2.901 4.266 -7.573) 9.163 6.691 ( 11.670 3.605 -13.304) 18.060 7.327 ( -8.287 3.829 -4.051) 9.987 7.752 ( -4.795 -7.400 2.127) 9.070 8.047 ( -11.377 -5.992 2.540) 13.107 8.166 ( 3.496 -6.282 4.836) 8.664 8.376 ( -2.039 -14.790 -0.437) 14.937 8.697 ( 0.312 -10.260 -3.667) 10.900 8.859 ( 1.080 8.115 -2.548) 8.574 9.201 ( -9.901 -5.921 -9.210) 14.762 9.706 ( -16.014 -15.243 3.718) 22.419 10.247 ( -3.752 -11.159 -2.689) 12.076 10.313 ( -11.526 -7.607 -5.037) 14.700 10.571 ( -1.736 -6.930 3.807) 8.095 10.919 ( -2.666 -1.116 6.258) 6.893 11.078 ( -13.978 5.066 -3.682) 15.316 11.326 ( 3.593 1.494 -3.522) 5.249 11.820 ( -21.257 11.159 6.423) 24.852 12.042 ( 2.667 0.255 -0.574) 2.740 12.216 ( 13.788 -11.474 -4.497) 18.493 12.595 ( 7.013 -1.357 -3.670) 8.031 13.013 ( 9.915 13.492 -3.419) 17.089 13.468 ( 7.739 9.999 -0.368) 12.650 13.728 ( 11.171 -1.981 7.885) 13.816 13.925 ( 7.895 12.352 -8.142) 16.769 14.701 ( 2.947 0.644 10.893) 11.303 14.967 ( 0.637 1.657 -0.555) 1.860 15.275 ( -10.376 1.203 -0.523) 10.458 15.996 ( 8.064 -4.727 5.569) 10.881 16.214 ( 16.477 -3.579 -1.218) 16.906 18.253 ( -5.167 -2.084 2.956) 6.307 18.359 ( -4.029 0.560 4.093) 5.771 18.648 ( 8.335 4.161 -4.875) 10.514 19.408 ( 3.104 2.772 4.850) 6.391 19.713 ( 2.365 7.631 2.864) 8.487 20.167 ( -1.827 0.296 -1.896) 2.650 20.357 ( -1.190 -5.076 9.164) 10.544 20.576 ( -5.285 -2.023 -0.629) 5.693 20.772 ( -3.955 -3.156 -1.629) 5.315 21.119 ( 2.826 1.392 -9.675) 10.175 21.957 ( -1.797 -2.560 -6.274) 7.010 22.178 ( 2.968 9.528 3.768) 10.667 29.073 ( -1.866 2.697 0.257) 3.290 29.532 ( -5.218 -6.701 1.669) 8.655 29.764 ( 1.597 -2.097 -0.626) 2.709 29.895 ( -5.614 -7.021 0.501) 9.004 37.152 ( 12.524 4.044 0.642) 13.176 37.327 ( 0.111 10.202 -3.511) 10.790 37.708 ( 11.451 17.276 -0.191) 20.728 38.675 ( 4.008 6.061 -0.665) 7.296 38.854 ( 1.649 14.492 -6.730) 16.064 40.423 ( -12.136 -23.497 1.960) 26.519 40.968 ( -5.084 -18.258 22.230) 29.212 42.324 ( -7.940 -6.441 -26.469) 28.375 ======================= Grid point 211 (72/85) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -20.696 -4.777 -5.277) 21.886 2.562 ( 4.259 -21.890 8.628) 23.911 3.424 ( 0.342 8.242 0.956) 8.304 5.114 ( -4.253 -2.619 42.030) 42.326 5.567 ( -27.551 -6.016 -2.972) 28.356 5.869 ( 7.385 -14.013 -6.390) 17.081 6.335 ( -4.374 1.813 -14.325) 15.087 6.744 ( 7.765 -0.248 -1.500) 7.912 7.176 ( -3.601 -4.512 -3.261) 6.630 7.514 ( -10.998 -16.924 -2.829) 20.381 7.876 ( -11.037 -8.320 1.081) 13.864 8.220 ( -10.677 -12.496 7.062) 17.889 8.357 ( -1.245 -0.382 6.472) 6.602 8.425 ( -8.559 -2.291 -2.873) 9.315 8.834 ( -11.818 0.858 0.408) 11.856 9.120 ( 12.418 6.158 -7.325) 15.678 9.579 ( -2.182 -11.960 5.164) 13.209 10.016 ( -7.716 -4.651 -4.574) 10.104 10.102 ( -7.477 -10.139 -0.601) 12.612 10.527 ( -5.018 -10.004 0.706) 11.214 10.856 ( -10.990 -0.495 1.015) 11.047 11.133 ( -0.985 14.689 6.851) 16.238 11.332 ( 4.880 1.787 -2.042) 5.584 11.783 ( -11.916 6.258 6.902) 15.125 12.065 ( 3.619 -2.893 -1.984) 5.040 12.236 ( 11.592 -10.240 -3.305) 15.817 12.565 ( 6.900 -5.793 -6.344) 11.019 13.230 ( 13.236 12.063 -0.541) 17.916 13.655 ( 9.066 9.907 1.016) 13.468 13.864 ( -1.876 8.340 0.885) 8.594 14.039 ( 12.632 9.704 -3.765) 16.368 14.826 ( 1.118 5.027 3.590) 6.278 14.975 ( -0.529 -2.163 -2.735) 3.527 15.218 ( -1.055 2.270 2.409) 3.474 16.021 ( -6.703 1.024 -1.071) 6.865 16.298 ( 10.623 -6.950 -6.593) 14.305 18.100 ( -8.135 -11.174 0.108) 13.822 18.441 ( -3.059 2.064 5.054) 6.258 18.700 ( 8.404 4.836 -5.142) 10.975 19.484 ( 2.045 -0.260 0.594) 2.145 19.803 ( -0.028 1.326 1.314) 1.867 20.179 ( 1.104 2.606 1.421) 3.167 20.436 ( -4.538 -6.931 3.048) 8.828 20.505 ( 0.344 -1.173 0.363) 1.275 20.744 ( -0.125 3.410 4.359) 5.536 21.038 ( 3.820 3.768 -6.908) 8.747 21.854 ( -2.093 -2.931 -1.603) 3.942 22.371 ( 8.911 11.800 2.658) 15.024 29.068 ( -1.666 -1.287 1.121) 2.385 29.440 ( -4.655 -6.840 0.576) 8.293 29.707 ( -8.072 0.173 -0.298) 8.079 29.826 ( 1.656 -6.371 -0.100) 6.583 37.276 ( -1.639 14.690 -3.042) 15.091 37.453 ( 17.630 2.596 1.130) 17.856 37.969 ( 10.304 18.104 -0.292) 20.833 38.819 ( 7.037 7.379 1.956) 10.382 38.878 ( 4.404 10.937 -2.579) 12.069 40.100 ( -15.625 -22.756 -0.443) 27.607 41.074 ( -11.077 -21.366 14.194) 27.941 41.738 ( -13.074 -9.020 -17.214) 23.422 ======================= Grid point 218 (73/85) ======================= q-point: (-0.44 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.000 -22.357 5.699) 23.072 3.040 ( 0.000 3.285 2.975) 4.432 3.402 ( -0.000 -0.161 -9.966) 9.967 4.436 ( 0.000 1.979 45.961) 46.004 5.965 ( 0.000 0.860 4.391) 4.474 6.248 ( -0.000 -7.951 -4.977) 9.381 6.369 ( -0.000 1.708 -21.595) 21.662 6.595 ( -0.000 10.447 -3.535) 11.028 7.521 ( -0.000 0.452 -1.924) 1.977 7.832 ( 0.000 -4.137 8.498) 9.452 8.065 ( 0.000 -1.205 3.674) 3.867 8.256 ( -0.000 -5.289 -5.131) 7.369 8.337 ( 0.000 -6.445 3.589) 7.377 8.550 ( 0.000 -17.292 -0.956) 17.319 8.811 ( 0.000 3.401 2.062) 3.977 9.376 ( -0.000 -8.432 -18.405) 20.245 9.963 ( 0.000 -16.115 5.312) 16.968 10.289 ( 0.000 -13.025 0.119) 13.025 10.430 ( -0.000 -10.111 -0.919) 10.153 10.694 ( -0.000 0.714 -0.800) 1.072 11.021 ( -0.000 -13.973 -6.574) 15.442 11.072 ( -0.000 -4.079 -6.217) 7.436 11.431 ( 0.000 3.312 3.479) 4.804 11.798 ( -0.000 -2.264 -5.666) 6.102 12.029 ( 0.000 0.283 3.266) 3.278 12.412 ( -0.000 -4.178 -1.639) 4.488 12.447 ( -0.000 10.767 -2.786) 11.122 12.908 ( -0.000 15.349 -6.435) 16.643 13.344 ( 0.000 16.578 3.677) 16.981 13.535 ( 0.000 -5.929 12.981) 14.271 13.797 ( -0.000 15.000 -9.103) 17.547 14.656 ( 0.000 -0.714 17.484) 17.498 14.973 ( -0.000 1.208 -5.675) 5.802 15.466 ( -0.000 -9.673 -2.793) 10.068 15.706 ( 0.000 -5.819 9.456) 11.103 16.099 ( 0.000 3.173 7.816) 8.436 18.309 ( 0.000 7.521 7.836) 10.861 18.448 ( 0.000 -7.368 0.410) 7.379 18.518 ( -0.000 5.008 -5.316) 7.303 19.370 ( 0.000 5.424 5.334) 7.607 19.678 ( 0.000 8.137 1.455) 8.267 20.195 ( -0.000 0.386 -4.541) 4.557 20.377 ( 0.000 -6.805 7.587) 10.191 20.646 ( 0.000 -3.362 0.805) 3.457 20.826 ( -0.000 -2.639 -1.673) 3.125 21.082 ( -0.000 0.931 -10.016) 10.060 21.978 ( -0.000 -1.232 -6.848) 6.958 22.149 ( 0.000 9.000 2.662) 9.385 29.097 ( -0.000 4.460 -1.145) 4.604 29.640 ( 0.000 -3.341 1.910) 3.849 29.681 ( 0.000 -8.590 0.369) 8.598 29.983 ( 0.000 -6.439 0.064) 6.439 36.966 ( 0.000 1.620 0.972) 1.889 37.413 ( -0.000 17.576 -1.657) 17.654 37.499 ( -0.000 12.854 -1.462) 12.936 38.628 ( -0.000 6.537 -2.096) 6.865 38.834 ( -0.000 16.175 -7.132) 17.678 40.578 ( 0.000 -25.425 2.747) 25.573 41.024 ( 0.000 -19.401 22.152) 29.447 42.414 ( -0.000 -5.481 -23.974) 24.592 ======================= Grid point 220 (74/85) ======================= q-point: (-0.33 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 2.584 -21.361 5.380) 22.180 2.959 ( -18.201 -1.434 -4.332) 18.764 3.322 ( 8.316 2.586 -3.646) 9.441 5.136 ( 1.299 -2.205 40.236) 40.317 5.805 ( -3.554 -9.567 -25.236) 27.222 6.004 ( -6.663 0.259 -8.074) 10.472 6.220 ( 7.536 -0.065 -2.369) 7.900 6.691 ( 1.144 9.364 1.370) 9.533 7.330 ( -7.757 -4.300 -8.853) 12.531 7.754 ( -10.367 -17.010 0.470) 19.926 8.001 ( -0.010 -17.801 -1.574) 17.871 8.249 ( 4.799 -1.126 6.843) 8.433 8.398 ( -4.342 -12.165 7.698) 15.037 8.561 ( 3.381 -4.768 -0.953) 5.923 8.823 ( 3.208 3.087 -5.967) 7.445 9.067 ( -3.243 -0.998 -7.369) 8.113 9.838 ( -8.586 -18.287 1.140) 20.235 10.106 ( -3.609 -10.383 -6.304) 12.672 10.266 ( -3.782 -15.776 -2.421) 16.402 10.660 ( -8.127 -7.953 2.790) 11.708 10.856 ( 6.625 -9.104 -0.939) 11.298 11.055 ( 11.551 0.235 -7.402) 13.721 11.373 ( -13.179 8.353 -0.920) 15.630 11.783 ( 13.678 -5.673 -6.907) 16.340 12.080 ( -1.338 0.852 1.420) 2.129 12.304 ( -16.015 6.444 4.957) 17.960 12.530 ( -0.377 3.831 2.569) 4.628 13.011 ( 4.969 21.459 -0.534) 22.033 13.504 ( 0.862 13.446 2.887) 13.779 13.772 ( 6.482 3.043 3.956) 8.181 13.835 ( 5.444 11.024 2.230) 12.496 14.836 ( -2.016 -0.046 2.488) 3.202 14.917 ( 4.239 -2.219 1.559) 5.032 15.308 ( -3.418 -3.402 -5.859) 7.588 15.884 ( 11.202 -7.251 7.473) 15.294 16.237 ( -3.412 4.393 7.871) 9.639 18.284 ( -6.490 -12.195 -1.492) 13.895 18.465 ( 2.548 0.533 -1.166) 2.852 18.544 ( 2.496 9.682 2.617) 10.335 19.467 ( -0.216 3.328 2.386) 4.101 19.765 ( 2.093 6.618 0.533) 6.961 20.155 ( 0.480 2.986 -1.759) 3.499 20.446 ( 0.297 -5.149 5.528) 7.561 20.605 ( -4.338 -0.981 -1.804) 4.800 20.785 ( -0.917 -4.622 0.467) 4.735 20.966 ( 1.572 4.303 -6.158) 7.675 21.888 ( -0.712 -2.345 -2.230) 3.313 22.258 ( 1.717 12.705 0.028) 12.820 29.094 ( -0.565 2.278 -1.651) 2.870 29.554 ( -4.624 -8.425 -0.250) 9.614 29.693 ( 4.343 -6.360 0.938) 7.759 29.916 ( -3.932 -4.856 -0.310) 6.256 37.060 ( 8.598 2.905 2.513) 9.417 37.443 ( -7.751 16.867 -1.143) 18.598 37.696 ( 11.409 17.815 0.603) 21.163 38.681 ( 2.927 6.654 1.260) 7.378 38.838 ( 0.629 15.211 -6.934) 16.729 40.379 ( -6.567 -26.207 0.815) 27.030 41.222 ( -2.446 -24.678 22.315) 33.361 41.954 ( -4.574 -7.652 -23.620) 25.246 ======================= Grid point 229 (75/85) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 0.000 -20.361 4.198) 20.789 2.947 ( -0.000 -7.491 -12.592) 14.652 3.236 ( 0.000 3.110 1.123) 3.306 5.118 ( -0.000 -5.414 -47.386) 47.694 5.449 ( 0.000 -26.774 7.038) 27.684 6.076 ( 0.000 3.613 0.338) 3.629 6.243 ( 0.000 -0.479 14.849) 14.857 6.767 ( 0.000 10.099 2.520) 10.409 7.238 ( -0.000 -2.217 -3.581) 4.212 7.743 ( 0.000 -28.676 -0.909) 28.691 7.811 ( 0.000 -16.116 2.413) 16.296 8.189 ( -0.000 -17.292 -8.031) 19.066 8.354 ( 0.000 -11.792 0.603) 11.808 8.512 ( -0.000 -4.141 -5.291) 6.719 8.718 ( 0.000 -8.163 2.503) 8.538 9.133 ( 0.000 10.926 6.745) 12.840 9.735 ( -0.000 -8.442 -3.393) 9.098 10.036 ( 0.000 -10.683 1.396) 10.773 10.133 ( -0.000 -16.478 -2.822) 16.718 10.608 ( -0.000 -12.187 -3.839) 12.777 10.710 ( -0.000 -13.349 -2.255) 13.538 10.901 ( -0.000 7.533 -3.864) 8.466 11.470 ( -0.000 -1.512 -6.767) 6.934 11.591 ( -0.000 6.378 -1.748) 6.613 12.101 ( 0.000 0.248 0.455) 0.518 12.482 ( 0.000 -0.838 4.783) 4.855 12.723 ( 0.000 14.005 7.830) 16.046 13.147 ( -0.000 27.036 0.749) 27.046 13.664 ( -0.000 3.706 -7.054) 7.968 13.715 ( 0.000 8.822 8.161) 12.018 14.033 ( 0.000 11.546 9.889) 15.202 14.751 ( -0.000 -0.551 -5.786) 5.812 14.982 ( 0.000 -2.378 6.219) 6.658 15.186 ( -0.000 3.189 -9.494) 10.015 15.923 ( 0.000 -4.751 9.322) 10.463 16.461 ( 0.000 4.860 12.135) 13.072 18.194 ( -0.000 -14.819 -2.566) 15.039 18.368 ( -0.000 1.513 -5.511) 5.715 18.710 ( 0.000 10.153 7.043) 12.357 19.521 ( 0.000 3.197 0.773) 3.289 19.768 ( -0.000 4.033 -3.001) 5.027 20.151 ( -0.000 3.285 -1.385) 3.565 20.449 ( 0.000 -6.965 1.060) 7.046 20.582 ( -0.000 5.547 -8.875) 10.466 20.691 ( -0.000 -6.606 -2.998) 7.255 21.028 ( 0.000 4.522 8.102) 9.279 21.872 ( 0.000 -2.938 1.754) 3.421 22.311 ( -0.000 14.942 -4.243) 15.533 29.069 ( -0.000 0.262 -2.940) 2.952 29.503 ( -0.000 -8.711 -1.907) 8.917 29.632 ( 0.000 -9.586 1.849) 9.762 29.909 ( -0.000 -2.358 -0.304) 2.377 37.085 ( 0.000 4.112 4.383) 6.010 37.659 ( -0.000 19.392 0.071) 19.392 37.719 ( 0.000 17.535 1.143) 17.572 38.744 ( 0.000 7.069 3.296) 7.799 38.833 ( -0.000 13.793 -6.035) 15.055 40.253 ( 0.000 -26.505 1.284) 26.536 41.225 ( -0.000 -22.801 -9.029) 24.523 41.753 ( 0.000 -15.826 11.760) 19.717 ======================= Grid point 282 (76/85) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 0.000 -0.000 11.183) 11.183 3.023 ( 0.000 -0.000 0.503) 0.503 3.182 ( -0.000 0.000 -6.246) 6.246 3.480 ( 0.000 -0.000 4.163) 4.163 6.004 ( 0.000 -0.000 26.582) 26.582 6.273 ( -0.000 0.000 -6.130) 6.130 6.371 ( -0.000 0.000 -9.734) 9.734 6.744 ( 0.000 -0.000 11.774) 11.774 7.387 ( -0.000 0.000 -4.851) 4.851 7.502 ( -0.000 0.000 -8.761) 8.761 7.934 ( 0.000 -0.000 8.720) 8.720 8.053 ( 0.000 -0.000 3.861) 3.861 8.427 ( -0.000 0.000 -1.335) 1.335 8.441 ( -0.000 0.000 -4.938) 4.938 9.600 ( 0.000 -0.000 18.501) 18.501 9.738 ( 0.000 -0.000 20.131) 20.131 10.108 ( -0.000 0.000 -2.549) 2.549 10.119 ( 0.000 -0.000 1.690) 1.690 10.425 ( -0.000 0.000 -21.609) 21.609 10.642 ( 0.000 -0.000 17.621) 17.621 10.670 ( 0.000 -0.000 28.136) 28.136 10.989 ( -0.000 0.000 -8.916) 8.916 11.324 ( 0.000 -0.000 16.789) 16.789 12.125 ( 0.000 -0.000 15.575) 15.575 12.151 ( 0.000 -0.000 0.691) 0.691 12.755 ( -0.000 0.000 -10.546) 10.546 12.773 ( -0.000 0.000 -19.115) 19.115 13.391 ( -0.000 0.000 -19.704) 19.704 13.457 ( 0.000 -0.000 26.743) 26.743 13.693 ( -0.000 0.000 -13.901) 13.901 13.864 ( -0.000 0.000 -25.034) 25.034 13.870 ( -0.000 0.000 -17.431) 17.431 15.012 ( 0.000 -0.000 12.243) 12.243 15.196 ( 0.000 -0.000 20.983) 20.983 15.550 ( -0.000 0.000 -13.570) 13.570 15.666 ( 0.000 -0.000 7.180) 7.180 17.519 ( 0.000 -0.000 8.204) 8.204 18.254 ( 0.000 -0.000 2.697) 2.697 18.461 ( 0.000 -0.000 1.238) 1.238 19.304 ( -0.000 0.000 -6.632) 6.632 19.575 ( -0.000 0.000 -1.501) 1.501 20.408 ( 0.000 -0.000 1.559) 1.559 20.621 ( -0.000 0.000 -5.770) 5.770 20.692 ( 0.000 -0.000 3.491) 3.491 20.997 ( -0.000 0.000 -2.725) 2.725 21.471 ( -0.000 0.000 -6.194) 6.194 21.565 ( 0.000 -0.000 9.326) 9.326 22.841 ( -0.000 0.000 -20.083) 20.083 28.943 ( 0.000 -0.000 1.944) 1.944 29.508 ( 0.000 -0.000 3.930) 3.930 29.702 ( 0.000 -0.000 4.894) 4.894 30.126 ( 0.000 -0.000 2.241) 2.241 36.960 ( -0.000 0.000 -3.959) 3.959 37.223 ( -0.000 0.000 -5.792) 5.792 37.608 ( -0.000 0.000 -11.964) 11.964 38.695 ( -0.000 0.000 -6.212) 6.212 38.735 ( -0.000 0.000 -5.514) 5.514 40.173 ( 0.000 -0.000 23.587) 23.587 41.112 ( 0.000 -0.000 8.301) 8.301 42.923 ( 0.000 -0.000 6.328) 6.328 ======================= Grid point 285 (77/85) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( 0.303 0.175 9.188) 9.194 3.003 ( -5.816 -3.358 20.328) 21.409 3.078 ( -1.972 -1.139 -1.504) 2.729 3.517 ( 0.056 0.032 -0.398) 0.403 6.010 ( -12.484 -7.208 -2.672) 14.661 6.251 ( 2.674 1.544 -3.245) 4.479 6.485 ( 9.240 5.335 7.440) 13.007 6.916 ( 2.786 1.609 -1.722) 3.649 7.208 ( -17.187 -9.923 12.241) 23.317 7.390 ( 0.897 0.518 -1.660) 1.956 8.072 ( -2.004 -1.157 4.379) 4.953 8.198 ( 8.182 4.724 5.850) 11.112 8.349 ( 0.368 0.212 -3.282) 3.309 8.520 ( 11.613 6.705 -4.201) 14.052 9.803 ( -10.244 -5.915 10.350) 15.718 9.908 ( -13.228 -7.637 -8.356) 17.411 9.997 ( 2.904 1.677 5.694) 6.608 10.077 ( -1.037 -0.599 -2.994) 3.225 10.253 ( 2.328 1.344 6.730) 7.247 10.763 ( -4.397 -2.538 0.780) 5.136 10.929 ( 5.999 3.463 4.957) 8.518 11.136 ( -4.320 -2.494 21.659) 22.226 11.493 ( -5.086 -2.936 9.051) 10.789 12.131 ( 0.999 0.577 -6.984) 7.079 12.211 ( -19.986 -11.539 -7.109) 24.148 12.421 ( 2.244 1.296 3.852) 4.643 12.647 ( -1.005 -0.580 -13.602) 13.652 12.959 ( -9.480 -5.473 -13.819) 17.630 13.395 ( -3.841 -2.217 -9.803) 10.759 13.685 ( 10.660 6.154 -9.383) 15.477 13.731 ( 10.340 5.970 -14.403) 18.709 13.981 ( 12.990 7.500 19.301) 24.444 15.062 ( -10.893 -6.289 0.953) 12.614 15.352 ( -4.270 -2.465 2.729) 5.635 15.582 ( 7.809 4.508 14.862) 17.384 15.870 ( 14.421 8.326 2.852) 16.895 17.709 ( 5.705 3.294 8.973) 11.131 18.339 ( -1.197 -0.691 8.097) 8.214 18.489 ( 3.827 2.210 -0.906) 4.511 19.219 ( -0.556 -0.321 -2.935) 3.004 19.556 ( 0.768 0.444 -1.443) 1.694 20.409 ( -3.937 -2.273 1.390) 4.754 20.472 ( -3.961 -2.287 -6.600) 8.030 20.716 ( -3.196 -1.845 2.596) 4.512 20.960 ( 0.464 0.268 -3.302) 3.345 21.362 ( 0.054 0.031 -7.486) 7.487 21.726 ( 2.535 1.464 8.141) 8.651 22.517 ( -3.192 -1.843 -17.394) 17.781 28.976 ( 0.608 0.351 1.471) 1.630 29.570 ( -0.330 -0.191 3.881) 3.900 29.764 ( -0.335 -0.193 3.414) 3.436 30.127 ( -4.078 -2.355 1.933) 5.091 36.945 ( 4.824 2.785 -2.239) 6.003 37.174 ( 4.576 2.642 -5.633) 7.723 37.461 ( 3.005 1.735 -9.736) 10.336 38.617 ( 1.653 0.954 -5.273) 5.608 38.686 ( 3.988 2.303 -5.554) 7.215 40.508 ( -5.100 -2.944 24.499) 25.197 41.143 ( -7.120 -4.111 3.577) 8.966 42.943 ( 0.592 0.342 -4.768) 4.816 ======================= Grid point 286 (78/85) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -8.776 -5.067 2.710) 10.490 2.960 ( -5.504 -3.178 -0.927) 6.423 3.359 ( -5.742 -3.315 2.453) 7.069 3.699 ( 2.818 1.627 37.315) 37.457 5.834 ( -5.408 -3.122 0.132) 6.246 6.213 ( -7.950 -4.590 -0.790) 9.213 6.515 ( -4.859 -2.806 -1.089) 5.716 6.844 ( 10.560 6.097 -16.707) 20.683 7.230 ( -7.610 -4.393 11.437) 14.422 7.577 ( 3.164 1.827 16.280) 16.685 8.053 ( -7.934 -4.581 5.655) 10.766 8.290 ( 1.665 0.961 -5.034) 5.388 8.446 ( 7.576 4.374 4.760) 9.959 8.628 ( 12.522 7.229 -5.855) 15.599 9.399 ( -13.325 -7.693 -17.247) 23.113 9.618 ( -22.833 -13.183 -2.270) 26.463 10.015 ( -10.777 -6.222 4.092) 13.100 10.272 ( 8.967 5.177 10.205) 14.538 10.342 ( -6.191 -3.574 6.044) 9.361 10.667 ( -8.487 -4.900 0.515) 9.813 11.047 ( -14.419 -8.325 3.532) 17.020 11.193 ( -1.023 -0.590 5.988) 6.103 11.419 ( -15.021 -8.672 -2.833) 17.575 11.685 ( -17.223 -9.944 -8.568) 21.655 12.001 ( 0.982 0.567 -5.555) 5.670 12.507 ( 6.528 3.769 5.075) 9.088 12.618 ( 6.666 3.848 -1.556) 7.853 12.735 ( 1.292 0.746 -11.636) 11.731 13.342 ( 7.167 4.138 -2.575) 8.667 13.673 ( 13.155 7.595 -14.352) 20.898 13.832 ( 8.958 5.172 3.217) 10.832 14.481 ( 11.382 6.572 18.584) 22.762 14.856 ( -5.138 -2.967 -6.725) 8.968 15.302 ( -10.698 -6.176 4.407) 13.115 15.909 ( 6.251 3.609 9.810) 12.179 16.175 ( 20.903 12.069 -1.602) 24.190 17.951 ( 7.070 4.082 8.539) 11.814 18.412 ( -4.807 -2.775 6.267) 8.371 18.571 ( 6.871 3.967 -0.149) 7.936 19.233 ( 2.286 1.320 4.472) 5.193 19.563 ( 2.302 1.329 -0.701) 2.749 20.256 ( -4.083 -2.357 -7.266) 8.662 20.409 ( -6.050 -3.493 4.928) 8.549 20.670 ( -6.105 -3.525 1.352) 7.178 20.894 ( -1.893 -1.093 -3.907) 4.476 21.244 ( 1.184 0.684 -8.870) 8.975 21.887 ( 4.124 2.381 5.422) 7.216 22.229 ( -3.738 -2.158 -11.773) 12.540 29.004 ( 0.339 0.196 1.264) 1.323 29.601 ( -3.108 -1.794 3.339) 4.901 29.797 ( -0.040 -0.023 1.020) 1.021 30.058 ( -7.522 -4.343 1.439) 8.804 37.033 ( 8.224 4.748 -1.648) 9.638 37.201 ( 9.294 5.366 -3.954) 11.437 37.416 ( 7.552 4.360 -6.439) 10.840 38.589 ( 3.510 2.026 -3.466) 5.333 38.683 ( 5.950 3.435 -5.224) 8.631 40.737 ( -12.567 -7.256 19.639) 24.419 41.044 ( -10.398 -6.003 5.920) 13.387 42.771 ( -2.181 -1.259 -16.624) 16.814 ======================= Grid point 287 (79/85) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -14.381 -8.303 -2.060) 16.734 2.894 ( -7.436 -4.293 7.601) 11.468 3.253 ( -2.123 -1.226 -2.697) 3.645 4.411 ( -0.967 -0.558 48.403) 48.416 5.823 ( -7.679 -4.434 2.190) 9.134 5.957 ( -12.283 -7.092 1.975) 14.320 6.487 ( 0.457 0.264 -4.545) 4.576 6.733 ( 12.881 7.437 -18.509) 23.744 7.246 ( -5.220 -3.014 3.529) 6.985 7.819 ( -0.787 -0.454 9.640) 9.682 8.014 ( -11.473 -6.624 6.060) 14.568 8.236 ( -3.042 -1.756 1.565) 3.846 8.525 ( -0.157 -0.091 -1.264) 1.277 8.710 ( -2.499 -1.443 -3.509) 4.543 8.946 ( -19.586 -11.308 -9.466) 24.517 9.191 ( -7.537 -4.351 -8.746) 12.338 9.842 ( -16.261 -9.388 4.665) 19.347 10.238 ( -12.706 -7.336 2.497) 14.883 10.361 ( -13.820 -7.979 -3.130) 16.261 10.639 ( 6.122 3.535 7.744) 10.485 10.807 ( -13.615 -7.860 0.999) 15.752 10.965 ( -19.435 -11.221 -1.763) 22.511 11.411 ( 5.529 3.192 -1.128) 6.483 11.471 ( -2.779 -1.604 5.714) 6.553 12.061 ( 3.131 1.808 2.151) 4.207 12.587 ( -1.170 -0.675 -6.625) 6.761 12.669 ( 8.003 4.620 -5.043) 10.527 12.794 ( 21.494 12.409 -1.373) 24.857 13.480 ( 8.908 5.143 2.479) 10.580 13.689 ( 12.658 7.308 -10.651) 18.086 13.998 ( 5.345 3.086 1.066) 6.263 14.720 ( -0.891 -0.515 -1.086) 1.497 14.909 ( 8.060 4.654 12.991) 15.981 15.156 ( -10.813 -6.243 0.183) 12.487 16.036 ( 1.056 0.610 -1.144) 1.672 16.429 ( 16.811 9.706 -6.457) 20.458 18.178 ( 5.344 3.085 7.045) 9.365 18.371 ( -9.606 -5.546 3.691) 11.690 18.661 ( 8.071 4.660 -4.007) 10.144 19.421 ( 6.021 3.476 6.784) 9.714 19.621 ( 5.059 2.921 2.313) 6.283 20.131 ( -0.032 -0.018 -3.472) 3.472 20.420 ( -4.707 -2.717 8.959) 10.478 20.573 ( -7.730 -4.463 0.755) 8.958 20.786 ( -4.609 -2.661 -2.750) 5.990 21.127 ( 2.572 1.485 -10.046) 10.476 21.959 ( 0.222 0.128 -4.842) 4.848 22.116 ( 3.255 1.879 2.636) 4.591 29.030 ( 0.224 0.129 1.698) 1.718 29.574 ( -5.884 -3.397 2.666) 7.299 29.770 ( -3.834 -2.214 -1.614) 4.712 29.958 ( -6.268 -3.619 1.220) 7.340 37.090 ( 4.703 2.715 -4.134) 6.825 37.381 ( 16.300 9.411 -0.394) 18.826 37.515 ( 13.151 7.593 -2.465) 15.385 38.636 ( 6.394 3.692 0.123) 7.385 38.709 ( 6.741 3.892 -4.569) 9.026 40.604 ( -20.353 -11.751 1.786) 23.569 41.128 ( -11.060 -6.386 22.878) 26.201 42.341 ( -9.753 -5.631 -26.425) 28.724 ======================= Grid point 294 (80/85) ======================= q-point: ( 0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 0.000 -10.428 3.123) 10.885 3.010 ( -0.000 -0.710 -2.995) 3.079 3.453 ( 0.000 -0.640 3.212) 3.275 3.648 ( 0.000 5.257 36.320) 36.699 5.952 ( -0.000 -3.005 -5.636) 6.387 6.244 ( 0.000 3.214 2.144) 3.863 6.495 ( -0.000 3.727 -6.339) 7.353 6.735 ( -0.000 2.917 -19.705) 19.920 7.419 ( 0.000 -7.721 18.595) 20.134 7.600 ( 0.000 -3.111 18.358) 18.620 8.128 ( 0.000 -3.056 4.837) 5.722 8.237 ( -0.000 2.339 -1.232) 2.643 8.366 ( -0.000 2.350 -3.036) 3.839 8.432 ( 0.000 10.233 2.333) 10.496 9.550 ( -0.000 -18.470 -19.906) 27.155 9.824 ( -0.000 -4.724 -13.505) 14.308 10.103 ( 0.000 -1.947 14.485) 14.615 10.278 ( 0.000 -0.489 12.971) 12.980 10.392 ( 0.000 2.420 10.148) 10.432 10.786 ( -0.000 -3.555 -1.027) 3.701 10.990 ( 0.000 8.949 5.301) 10.401 11.456 ( 0.000 -10.709 14.035) 17.654 11.559 ( -0.000 -9.515 -1.997) 9.722 11.891 ( -0.000 1.964 -15.313) 15.438 12.159 ( -0.000 0.927 -10.252) 10.294 12.402 ( -0.000 -5.754 -11.957) 13.269 12.549 ( 0.000 -0.010 5.886) 5.886 12.849 ( -0.000 -6.068 -5.991) 8.527 13.205 ( -0.000 -5.430 -8.956) 10.474 13.507 ( -0.000 11.665 -7.170) 13.692 13.578 ( -0.000 4.428 -0.561) 4.463 14.299 ( 0.000 4.805 22.074) 22.591 14.998 ( -0.000 -1.894 -12.170) 12.316 15.510 ( 0.000 7.613 9.807) 12.415 15.711 ( 0.000 -6.363 6.853) 9.351 15.885 ( 0.000 5.577 6.106) 8.270 17.867 ( 0.000 8.483 9.275) 12.569 18.441 ( -0.000 3.186 -3.787) 4.949 18.516 ( 0.000 -2.378 12.830) 13.049 19.212 ( 0.000 0.827 1.653) 1.849 19.532 ( -0.000 2.303 -1.830) 2.942 20.318 ( -0.000 -1.985 -10.609) 10.793 20.480 ( 0.000 -3.620 4.757) 5.978 20.753 ( 0.000 -3.539 1.843) 3.990 20.910 ( -0.000 -1.296 -2.588) 2.894 21.231 ( -0.000 -0.011 -9.060) 9.060 21.838 ( 0.000 3.633 5.357) 6.472 22.275 ( -0.000 -2.570 -13.203) 13.451 29.000 ( 0.000 1.842 0.876) 2.040 29.634 ( 0.000 -0.386 4.027) 4.045 29.799 ( 0.000 -1.686 1.611) 2.332 30.156 ( 0.000 -4.625 1.575) 4.885 36.905 ( -0.000 2.853 -0.777) 2.957 37.099 ( -0.000 6.845 -5.075) 8.521 37.330 ( -0.000 4.011 -7.045) 8.106 38.546 ( -0.000 2.263 -3.914) 4.522 38.612 ( -0.000 5.795 -4.962) 7.629 40.889 ( 0.000 -8.021 24.430) 25.713 41.173 ( 0.000 -7.769 1.638) 7.940 42.794 ( -0.000 -0.689 -14.147) 14.164 ======================= Grid point 296 (81/85) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( -1.788 -10.623 2.645) 11.093 2.978 ( -3.251 -3.890 2.240) 5.542 3.362 ( -3.995 1.445 -6.869) 8.077 4.384 ( 1.808 3.050 47.859) 47.990 5.893 ( -3.366 0.680 2.714) 4.377 6.224 ( -6.562 1.086 -11.524) 13.306 6.389 ( 6.618 3.255 -14.669) 16.419 6.474 ( 7.357 6.167 -12.899) 16.079 7.573 ( -15.329 -11.935 15.798) 25.040 7.835 ( -2.007 -0.925 15.698) 15.852 8.170 ( 3.943 -2.927 0.918) 4.996 8.222 ( -3.817 -1.318 2.572) 4.787 8.409 ( 10.953 2.999 -0.555) 11.369 8.555 ( 0.151 8.846 0.556) 8.864 9.141 ( -2.166 -16.526 -12.608) 20.899 9.504 ( -5.481 -6.897 -18.115) 20.144 10.234 ( -7.585 -14.148 11.614) 19.814 10.461 ( -2.830 1.386 10.803) 11.253 10.498 ( -5.154 -1.366 9.773) 11.133 10.696 ( -5.424 -8.314 -3.729) 10.604 11.102 ( -0.453 -3.199 -0.667) 3.298 11.264 ( -3.945 -9.068 -7.181) 12.221 11.369 ( -13.165 -6.232 -6.602) 15.992 11.819 ( -8.427 5.561 -0.520) 10.110 11.998 ( -4.257 4.629 0.028) 6.289 12.263 ( 11.076 -7.188 -8.585) 15.750 12.590 ( -0.185 2.023 1.110) 2.315 12.712 ( -3.055 -1.405 -3.975) 5.207 13.192 ( 11.118 2.947 -2.307) 11.731 13.476 ( 3.580 15.643 -8.540) 18.178 13.796 ( 11.455 -7.034 11.059) 17.407 14.661 ( 3.832 3.077 13.965) 14.805 14.821 ( -0.723 10.202 -8.029) 13.003 15.502 ( -15.497 -5.157 3.875) 16.785 15.908 ( 16.686 -0.179 3.364) 17.023 16.028 ( 5.297 5.276 1.725) 7.672 18.082 ( 1.907 9.266 8.319) 12.598 18.413 ( 3.118 4.244 -5.018) 7.275 18.648 ( -3.769 -7.968 9.273) 12.794 19.300 ( 2.977 2.789 6.051) 7.298 19.543 ( 1.701 5.278 -1.154) 5.664 20.146 ( -0.758 1.220 -9.028) 9.141 20.525 ( -2.647 -5.559 7.227) 9.494 20.723 ( -3.727 -4.432 0.873) 5.857 20.856 ( -1.284 -2.180 -1.891) 3.159 21.086 ( 0.755 0.121 -10.044) 10.073 21.917 ( 1.458 3.856 -0.938) 4.227 22.112 ( -0.678 -1.273 -3.886) 4.145 29.025 ( 0.137 2.085 0.462) 2.140 29.674 ( -2.305 -2.085 3.355) 4.573 29.795 ( 0.276 -2.079 -0.338) 2.125 30.111 ( -4.169 -6.577 0.931) 7.842 36.964 ( 5.948 3.618 0.216) 6.966 37.107 ( 3.287 9.073 -3.755) 10.355 37.313 ( 4.650 8.714 -3.609) 10.516 38.533 ( 2.182 3.618 -1.761) 4.577 38.601 ( 2.242 7.148 -4.265) 8.620 40.968 ( -8.796 -15.701 2.745) 18.205 41.289 ( -2.638 -7.521 22.973) 24.316 42.485 ( -2.726 -3.117 -22.255) 22.637 ======================= Grid point 297 (82/85) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -14.929 -5.057 -2.010) 15.890 2.934 ( 2.405 -17.090 4.945) 17.953 3.266 ( -1.771 6.720 -2.181) 7.283 5.151 ( 1.114 0.699 44.635) 44.655 5.793 ( -6.022 2.116 -29.048) 29.741 5.962 ( 1.640 -1.887 5.434) 5.982 6.247 ( 3.940 4.641 -12.128) 13.570 6.568 ( 7.404 7.499 -0.241) 10.541 7.421 ( -15.869 -13.692 5.314) 21.622 7.934 ( -3.621 -10.770 4.139) 12.093 8.126 ( -6.392 -2.950 0.921) 7.100 8.293 ( 1.379 0.789 1.792) 2.395 8.514 ( -0.015 -3.856 3.049) 4.915 8.622 ( 8.057 12.043 -4.364) 15.133 8.891 ( -8.723 -16.459 -3.150) 18.892 9.108 ( -7.858 -4.742 -9.161) 12.967 10.105 ( -19.697 -20.587 10.440) 30.344 10.310 ( -12.635 -13.788 -7.500) 20.149 10.421 ( -8.630 -9.605 1.723) 13.027 10.747 ( 0.970 -0.973 9.731) 9.828 10.954 ( -13.543 1.828 -1.396) 13.737 11.037 ( -6.696 -1.993 -4.395) 8.254 11.264 ( 9.356 -7.574 -0.919) 12.072 11.770 ( -17.350 12.590 7.904) 22.847 12.062 ( 4.074 -0.892 0.933) 4.274 12.269 ( 16.499 -7.395 -6.826) 19.326 12.575 ( -0.492 -3.208 -3.083) 4.476 12.735 ( 9.048 15.332 -1.280) 17.849 13.353 ( 12.527 6.317 -1.673) 14.129 13.571 ( 8.000 16.202 -1.840) 18.163 13.922 ( 2.005 -6.093 -0.755) 6.459 14.759 ( 0.771 6.686 2.312) 7.117 14.968 ( 5.399 2.268 2.017) 6.194 15.324 ( -12.476 -6.762 3.919) 14.722 16.012 ( -1.738 3.774 -2.670) 4.939 16.183 ( 14.887 2.344 -2.917) 15.351 18.275 ( 1.785 5.327 5.891) 8.141 18.427 ( 3.851 3.398 -1.822) 5.449 18.587 ( -5.640 -8.095 -0.735) 9.893 19.437 ( 3.466 1.222 1.528) 3.979 19.637 ( 5.508 8.581 1.813) 10.357 20.080 ( 2.340 3.885 -2.131) 5.011 20.555 ( -3.720 -5.056 4.611) 7.788 20.638 ( -5.295 -5.626 0.708) 7.758 20.811 ( -3.476 -1.812 2.825) 4.832 20.952 ( 2.225 0.631 -9.008) 9.300 21.899 ( 0.179 0.400 -2.256) 2.298 22.131 ( 3.130 3.844 1.322) 5.131 29.051 ( 0.811 1.699 0.667) 1.997 29.644 ( -4.551 -5.435 1.704) 7.291 29.769 ( -1.548 -0.822 -1.243) 2.148 30.008 ( -5.820 -7.295 0.487) 9.345 37.047 ( 1.212 7.695 -1.860) 8.009 37.210 ( 13.484 3.668 -0.150) 13.975 37.460 ( 9.610 16.060 -0.587) 18.725 38.606 ( 5.596 5.266 1.144) 7.768 38.630 ( 4.096 7.203 -2.498) 8.655 40.720 ( -14.855 -17.663 -0.179) 23.080 41.545 ( -7.576 -12.164 22.601) 26.761 42.013 ( -7.596 -5.465 -23.152) 24.972 ======================= Grid point 305 (83/85) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 0.000 -14.583 1.945) 14.712 3.066 ( 0.000 -0.370 5.396) 5.409 3.259 ( -0.000 -0.877 -8.667) 8.711 5.122 ( 0.000 2.107 44.887) 44.936 5.823 ( -0.000 4.163 -38.560) 38.784 6.021 ( 0.000 4.262 7.538) 8.659 6.141 ( -0.000 1.161 -11.847) 11.904 6.460 ( 0.000 9.659 1.647) 9.798 7.684 ( 0.000 -22.611 -0.257) 22.613 8.057 ( 0.000 -6.367 6.471) 9.078 8.149 ( 0.000 0.680 6.621) 6.656 8.256 ( -0.000 -3.082 -3.279) 4.500 8.380 ( 0.000 7.091 6.415) 9.562 8.594 ( -0.000 4.221 -3.272) 5.340 8.978 ( 0.000 -13.615 4.823) 14.444 9.211 ( -0.000 -6.530 -15.494) 16.814 10.332 ( 0.000 -18.717 9.938) 21.192 10.488 ( -0.000 -19.262 -6.415) 20.302 10.564 ( -0.000 -9.373 -0.686) 9.398 10.760 ( 0.000 0.106 12.451) 12.452 10.965 ( -0.000 -1.632 -12.241) 12.349 11.084 ( -0.000 -9.645 -4.069) 10.469 11.425 ( -0.000 -1.455 -3.404) 3.702 11.755 ( -0.000 -3.144 -5.164) 6.046 12.057 ( 0.000 2.970 0.742) 3.061 12.194 ( 0.000 11.919 1.515) 12.015 12.614 ( -0.000 -8.551 -2.352) 8.869 12.629 ( 0.000 3.074 0.422) 3.103 13.199 ( 0.000 12.341 4.109) 13.007 13.446 ( -0.000 15.987 -6.324) 17.192 13.876 ( 0.000 -9.861 13.073) 16.375 14.742 ( -0.000 14.577 -9.493) 17.396 14.873 ( 0.000 3.734 9.377) 10.093 15.531 ( -0.000 -12.309 -6.551) 13.944 15.879 ( 0.000 0.615 8.417) 8.440 16.086 ( 0.000 8.960 2.008) 9.182 18.260 ( 0.000 9.999 5.838) 11.578 18.333 ( -0.000 6.379 -5.869) 8.669 18.700 ( 0.000 -15.424 3.666) 15.854 19.388 ( 0.000 3.285 4.615) 5.665 19.565 ( -0.000 9.078 -1.214) 9.159 20.053 ( -0.000 4.761 -4.823) 6.777 20.603 ( 0.000 -8.033 5.707) 9.854 20.716 ( -0.000 -4.811 -0.673) 4.858 20.852 ( 0.000 -0.552 2.623) 2.681 20.926 ( -0.000 -1.213 -9.034) 9.115 21.891 ( -0.000 2.040 -2.376) 3.132 22.103 ( 0.000 2.227 0.404) 2.263 29.040 ( -0.000 2.367 -0.340) 2.392 29.715 ( 0.000 -3.856 1.080) 4.004 29.761 ( 0.000 -2.822 0.013) 2.822 30.092 ( 0.000 -8.226 0.137) 8.227 36.955 ( 0.000 2.596 1.253) 2.883 37.144 ( -0.000 15.590 -1.501) 15.662 37.308 ( -0.000 10.939 -1.311) 11.018 38.537 ( 0.000 5.047 0.315) 5.057 38.584 ( -0.000 8.380 -3.286) 9.001 40.908 ( 0.000 -19.473 0.099) 19.474 41.627 ( 0.000 -12.455 25.419) 28.307 42.105 ( -0.000 -4.542 -24.638) 25.053 ======================= Grid point 384 (84/85) ======================= q-point: ( 0.44 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -0.000 0.000 -1.753) 1.753 3.084 ( 0.000 -0.000 4.742) 4.742 3.387 ( -0.000 0.000 -6.458) 6.458 4.328 ( 0.000 -0.000 48.305) 48.305 5.912 ( -0.000 0.000 -0.676) 0.676 6.268 ( 0.000 -0.000 3.189) 3.189 6.304 ( -0.000 0.000 -12.871) 12.871 6.309 ( -0.000 0.000 -31.317) 31.317 7.779 ( 0.000 -0.000 22.281) 22.281 7.984 ( 0.000 -0.000 19.379) 19.379 8.190 ( -0.000 0.000 -1.308) 1.308 8.259 ( 0.000 -0.000 1.816) 1.816 8.333 ( 0.000 -0.000 3.902) 3.902 8.343 ( -0.000 0.000 -1.490) 1.490 9.343 ( -0.000 0.000 -18.664) 18.664 9.589 ( -0.000 0.000 -19.069) 19.069 10.317 ( 0.000 -0.000 14.840) 14.840 10.536 ( 0.000 -0.000 11.424) 11.424 10.546 ( 0.000 -0.000 11.882) 11.882 10.883 ( 0.000 -0.000 0.172) 0.172 10.987 ( 0.000 -0.000 9.942) 9.942 11.423 ( -0.000 0.000 -22.986) 22.986 11.617 ( -0.000 0.000 -8.962) 8.962 11.824 ( 0.000 -0.000 11.061) 11.061 11.956 ( -0.000 0.000 -8.817) 8.817 12.257 ( -0.000 0.000 -15.829) 15.829 12.487 ( -0.000 0.000 -0.008) 0.008 13.008 ( 0.000 -0.000 0.979) 0.979 13.134 ( -0.000 0.000 -6.987) 6.987 13.299 ( -0.000 0.000 -2.816) 2.816 13.660 ( 0.000 -0.000 17.803) 17.803 14.557 ( 0.000 -0.000 16.176) 16.176 14.721 ( -0.000 0.000 -21.716) 21.716 15.649 ( 0.000 -0.000 12.637) 12.637 15.807 ( -0.000 0.000 -1.423) 1.423 15.915 ( 0.000 -0.000 4.498) 4.498 17.963 ( 0.000 -0.000 9.695) 9.695 18.340 ( -0.000 0.000 -6.029) 6.029 18.773 ( 0.000 -0.000 15.423) 15.423 19.252 ( 0.000 -0.000 4.420) 4.420 19.471 ( -0.000 0.000 -3.377) 3.377 20.143 ( -0.000 0.000 -12.208) 12.208 20.594 ( 0.000 -0.000 6.880) 6.880 20.799 ( 0.000 -0.000 0.648) 0.648 20.892 ( -0.000 0.000 -1.335) 1.335 21.082 ( -0.000 0.000 -9.808) 9.808 21.864 ( 0.000 -0.000 0.599) 0.599 22.134 ( -0.000 0.000 -6.185) 6.185 29.001 ( 0.000 -0.000 0.557) 0.557 29.701 ( 0.000 -0.000 4.040) 4.040 29.820 ( -0.000 0.000 -0.290) 0.290 30.212 ( 0.000 -0.000 1.132) 1.132 36.872 ( 0.000 -0.000 0.304) 0.304 36.982 ( -0.000 0.000 -4.169) 4.169 37.209 ( -0.000 0.000 -4.610) 4.610 38.482 ( -0.000 0.000 -2.222) 2.222 38.512 ( -0.000 0.000 -3.292) 3.292 41.216 ( -0.000 0.000 -1.122) 1.122 41.356 ( 0.000 -0.000 26.899) 26.899 42.531 ( -0.000 0.000 -20.540) 20.540 ======================= Grid point 387 (85/85) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( -1.518 -0.876 -0.285) 1.775 3.144 ( -3.025 -1.746 6.593) 7.461 3.252 ( -3.143 -1.815 -7.289) 8.143 5.090 ( 2.515 1.452 46.409) 46.500 5.762 ( 1.630 0.941 -39.474) 39.519 5.963 ( -0.179 -0.103 7.257) 7.260 6.130 ( 3.067 1.771 -11.965) 12.478 6.353 ( 5.690 3.285 0.712) 6.609 7.972 ( -20.258 -11.696 9.176) 25.128 8.098 ( -4.012 -2.316 12.834) 13.645 8.174 ( 0.527 0.304 0.008) 0.608 8.277 ( 1.053 0.608 -1.764) 2.142 8.337 ( 6.195 3.576 -3.108) 7.799 8.484 ( 5.414 3.126 2.035) 6.575 9.130 ( -3.997 -2.308 -0.244) 4.622 9.276 ( -3.357 -1.938 -16.730) 17.173 10.540 ( -4.561 -2.633 11.632) 12.769 10.628 ( -6.395 -3.692 2.668) 7.852 10.645 ( -0.200 -0.116 8.388) 8.391 10.764 ( -9.945 -5.742 -3.331) 11.957 11.077 ( -1.679 -0.969 -9.615) 9.808 11.213 ( -3.867 -2.233 1.644) 4.758 11.369 ( -3.521 -2.033 -4.899) 6.367 11.786 ( -8.133 -4.695 0.946) 9.438 11.988 ( 4.019 2.320 -0.532) 4.671 12.130 ( 7.505 4.333 -6.154) 10.628 12.511 ( 2.707 1.563 0.140) 3.129 12.887 ( -17.075 -9.858 2.563) 19.882 13.118 ( 7.707 4.449 -4.547) 9.993 13.235 ( 3.914 2.260 -0.842) 4.597 14.053 ( 0.376 0.217 13.748) 13.754 14.447 ( 11.626 6.712 -13.816) 19.263 14.803 ( 7.012 4.048 5.590) 9.839 15.651 ( -11.802 -6.814 2.794) 13.911 15.918 ( 8.362 4.828 2.522) 9.979 15.957 ( 3.624 2.093 -2.220) 4.738 18.138 ( 3.513 2.028 8.468) 9.390 18.268 ( 4.297 2.481 -7.120) 8.679 18.885 ( -9.155 -5.286 5.953) 12.132 19.362 ( 3.294 1.902 5.367) 6.578 19.445 ( 4.258 2.458 -3.436) 5.998 20.002 ( 1.662 0.960 -5.511) 5.836 20.688 ( -2.876 -1.660 7.140) 7.874 20.766 ( -3.121 -1.802 -1.734) 4.000 20.871 ( -1.535 -0.886 1.042) 2.056 20.939 ( -0.100 -0.058 -7.850) 7.851 21.861 ( 1.410 0.814 -1.487) 2.205 22.090 ( 0.118 0.068 -0.382) 0.405 29.014 ( 0.908 0.524 0.228) 1.073 29.747 ( -1.784 -1.030 3.079) 3.704 29.794 ( -0.736 -0.425 -1.909) 2.090 30.187 ( -4.437 -2.561 0.395) 5.138 36.923 ( 3.458 1.997 0.692) 4.053 36.973 ( 6.521 3.765 -2.083) 7.813 37.194 ( 4.325 2.497 -1.414) 5.190 38.484 ( 2.659 1.535 0.021) 3.070 38.497 ( 2.796 1.614 -1.882) 3.737 41.123 ( -9.535 -5.505 -0.381) 11.016 41.748 ( -3.313 -1.913 26.515) 26.790 42.152 ( -3.070 -1.772 -25.117) 25.366 =================== 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 3/43740 10.0 2272.357 2272.357 2054.755 0.000 -0.000 -0.000 3/43740 20.0 515.641 515.641 528.320 0.000 -0.000 -0.000 3/43740 30.0 247.816 247.816 244.418 0.000 -0.000 -0.000 3/43740 40.0 147.170 147.170 148.115 0.000 -0.000 -0.000 3/43740 50.0 99.029 99.029 101.845 0.000 -0.000 -0.000 3/43740 60.0 72.302 72.302 75.425 0.000 -0.000 -0.000 3/43740 70.0 55.850 55.850 58.707 0.000 -0.000 -0.000 3/43740 80.0 44.951 44.951 47.393 0.000 -0.000 -0.000 3/43740 90.0 37.322 37.322 39.359 0.000 -0.000 -0.000 3/43740 100.0 31.749 31.749 33.438 0.000 -0.000 -0.000 3/43740 110.0 27.537 27.537 28.940 0.000 -0.000 -0.000 3/43740 120.0 24.263 24.263 25.438 0.000 -0.000 -0.000 3/43740 130.0 21.658 21.658 22.650 0.000 -0.000 -0.000 3/43740 140.0 19.544 19.544 20.389 0.000 -0.000 -0.000 3/43740 150.0 17.799 17.799 18.526 0.000 -0.000 -0.000 3/43740 160.0 16.337 16.337 16.969 0.000 -0.000 -0.000 3/43740 170.0 15.096 15.096 15.650 0.000 -0.000 -0.000 3/43740 180.0 14.030 14.030 14.520 0.000 -0.000 -0.000 3/43740 190.0 13.107 13.107 13.544 0.000 -0.000 -0.000 3/43740 200.0 12.298 12.298 12.691 0.000 -0.000 -0.000 3/43740 210.0 11.585 11.585 11.941 0.000 -0.000 -0.000 3/43740 220.0 10.952 10.952 11.277 0.000 -0.000 -0.000 3/43740 230.0 10.386 10.386 10.684 0.000 -0.000 -0.000 3/43740 240.0 9.877 9.877 10.153 0.000 -0.000 -0.000 3/43740 250.0 9.417 9.417 9.673 0.000 -0.000 -0.000 3/43740 260.0 8.999 8.999 9.239 0.000 -0.000 -0.000 3/43740 270.0 8.617 8.617 8.843 0.000 -0.000 -0.000 3/43740 280.0 8.268 8.268 8.481 0.000 -0.000 -0.000 3/43740 290.0 7.947 7.947 8.149 0.000 -0.000 -0.000 3/43740 300.0 7.651 7.651 7.843 0.000 -0.000 -0.000 3/43740 310.0 7.376 7.376 7.561 0.000 -0.000 -0.000 3/43740 320.0 7.122 7.122 7.299 0.000 -0.000 -0.000 3/43740 330.0 6.885 6.885 7.056 0.000 -0.000 -0.000 3/43740 340.0 6.664 6.664 6.830 0.000 -0.000 -0.000 3/43740 350.0 6.458 6.458 6.618 0.000 -0.000 -0.000 3/43740 360.0 6.264 6.264 6.420 0.000 -0.000 -0.000 3/43740 370.0 6.082 6.082 6.234 0.000 -0.000 -0.000 3/43740 380.0 5.911 5.911 6.060 0.000 -0.000 -0.000 3/43740 390.0 5.750 5.750 5.895 0.000 -0.000 -0.000 3/43740 400.0 5.597 5.597 5.740 0.000 -0.000 -0.000 3/43740 410.0 5.453 5.453 5.593 0.000 -0.000 -0.000 3/43740 420.0 5.317 5.317 5.455 0.000 -0.000 -0.000 3/43740 430.0 5.187 5.187 5.323 0.000 -0.000 -0.000 3/43740 440.0 5.064 5.064 5.198 0.000 -0.000 -0.000 3/43740 450.0 4.947 4.947 5.079 0.000 -0.000 -0.000 3/43740 460.0 4.835 4.835 4.966 0.000 -0.000 -0.000 3/43740 470.0 4.729 4.729 4.858 0.000 -0.000 -0.000 3/43740 480.0 4.627 4.627 4.755 0.000 -0.000 -0.000 3/43740 490.0 4.530 4.530 4.657 0.000 -0.000 -0.000 3/43740 500.0 4.437 4.437 4.562 0.000 -0.000 -0.000 3/43740 510.0 4.347 4.347 4.472 0.000 -0.000 -0.000 3/43740 520.0 4.262 4.262 4.386 0.000 -0.000 -0.000 3/43740 530.0 4.180 4.180 4.303 0.000 -0.000 -0.000 3/43740 540.0 4.101 4.101 4.223 0.000 -0.000 -0.000 3/43740 550.0 4.025 4.025 4.146 0.000 -0.000 -0.000 3/43740 560.0 3.952 3.952 4.073 0.000 -0.000 -0.000 3/43740 570.0 3.882 3.882 4.001 0.000 -0.000 -0.000 3/43740 580.0 3.815 3.815 3.933 0.000 -0.000 -0.000 3/43740 590.0 3.749 3.749 3.867 0.000 -0.000 -0.000 3/43740 600.0 3.686 3.686 3.803 0.000 -0.000 -0.000 3/43740 610.0 3.625 3.625 3.742 0.000 -0.000 -0.000 3/43740 620.0 3.567 3.567 3.682 0.000 -0.000 -0.000 3/43740 630.0 3.510 3.510 3.625 0.000 -0.000 -0.000 3/43740 640.0 3.455 3.455 3.569 0.000 -0.000 -0.000 3/43740 650.0 3.402 3.402 3.515 0.000 -0.000 -0.000 3/43740 660.0 3.350 3.350 3.463 0.000 -0.000 -0.000 3/43740 670.0 3.300 3.300 3.412 0.000 -0.000 -0.000 3/43740 680.0 3.252 3.252 3.363 0.000 -0.000 -0.000 3/43740 690.0 3.205 3.205 3.315 0.000 -0.000 -0.000 3/43740 700.0 3.159 3.159 3.269 0.000 -0.000 -0.000 3/43740 710.0 3.115 3.115 3.224 0.000 -0.000 -0.000 3/43740 720.0 3.072 3.072 3.181 0.000 -0.000 -0.000 3/43740 730.0 3.030 3.030 3.138 0.000 -0.000 -0.000 3/43740 740.0 2.989 2.989 3.097 0.000 -0.000 -0.000 3/43740 750.0 2.949 2.949 3.057 0.000 -0.000 -0.000 3/43740 760.0 2.911 2.911 3.017 0.000 -0.000 -0.000 3/43740 770.0 2.873 2.873 2.979 0.000 -0.000 -0.000 3/43740 780.0 2.837 2.837 2.942 0.000 -0.000 -0.000 3/43740 790.0 2.801 2.801 2.906 0.000 -0.000 -0.000 3/43740 800.0 2.767 2.767 2.871 0.000 -0.000 -0.000 3/43740 810.0 2.733 2.733 2.836 0.000 -0.000 -0.000 3/43740 820.0 2.700 2.700 2.803 0.000 -0.000 -0.000 3/43740 830.0 2.668 2.668 2.770 0.000 -0.000 -0.000 3/43740 840.0 2.636 2.636 2.738 0.000 -0.000 -0.000 3/43740 850.0 2.606 2.606 2.707 0.000 -0.000 -0.000 3/43740 860.0 2.576 2.576 2.676 0.000 -0.000 -0.000 3/43740 870.0 2.546 2.546 2.646 0.000 -0.000 -0.000 3/43740 880.0 2.518 2.518 2.617 0.000 -0.000 -0.000 3/43740 890.0 2.490 2.490 2.589 0.000 -0.000 -0.000 3/43740 900.0 2.463 2.463 2.561 0.000 -0.000 -0.000 3/43740 910.0 2.436 2.436 2.533 0.000 -0.000 -0.000 3/43740 920.0 2.410 2.410 2.507 0.000 -0.000 -0.000 3/43740 930.0 2.384 2.384 2.481 0.000 -0.000 -0.000 3/43740 940.0 2.359 2.359 2.455 0.000 -0.000 -0.000 3/43740 950.0 2.335 2.335 2.430 0.000 -0.000 -0.000 3/43740 960.0 2.311 2.311 2.405 0.000 -0.000 -0.000 3/43740 970.0 2.287 2.287 2.381 0.000 -0.000 -0.000 3/43740 980.0 2.264 2.264 2.358 0.000 -0.000 -0.000 3/43740 990.0 2.242 2.242 2.335 0.000 -0.000 -0.000 3/43740 1000.0 2.220 2.220 2.312 0.000 -0.000 -0.000 3/43740 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:19:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|