----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:40:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.520812780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.595368810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.059916400000001 Atomic positions (fractional): *1 P 0.13024888031561 0.67827454573042 0.56404967679949 30.974 2 P 0.36975111968439 0.32172545426958 0.06404967679949 30.974 3 P 0.86975111968439 0.17827454573042 0.93595032320051 30.974 4 P 0.63024888031561 0.82172545426958 0.43595032320051 30.974 5 P 0.63024888031561 0.67827454573042 0.93595032320051 30.974 6 P 0.13024888031561 0.82172545426958 0.06404967679949 30.974 7 P 0.36975111968439 0.17827454573042 0.56404967679949 30.974 8 P 0.86975111968439 0.32172545426958 0.43595032320051 30.974 *9 Co 0.51254015339066 0.18006875576582 0.37899468383773 58.933 10 Co 0.51254015339066 0.31993124423418 0.87899468383773 58.933 11 Co 0.98745984660934 0.68006875576582 0.37899468383773 58.933 12 Co 0.48745984660934 0.81993124423418 0.62100531616227 58.933 13 Co 0.01254015339066 0.31993124423418 0.62100531616227 58.933 14 Co 0.98745984660934 0.81993124423418 0.87899468383773 58.933 15 Co 0.48745984660934 0.68006875576582 0.12100531616227 58.933 16 Co 0.01254015339066 0.18006875576582 0.12100531616227 58.933 *17 Se 0.61924116684552 0.06870598375940 0.17758906121646 78.960 18 Se 0.11924116684552 0.43129401624060 0.82241093878354 78.960 19 Se 0.38075883315448 0.56870598375940 0.32241093878354 78.960 20 Se 0.88075883315448 0.93129401624060 0.67758906121646 78.960 21 Se 0.38075883315448 0.93129401624060 0.82241093878354 78.960 22 Se 0.88075883315448 0.56870598375940 0.17758906121646 78.960 23 Se 0.61924116684552 0.43129401624060 0.67758906121646 78.960 24 Se 0.11924116684552 0.06870598375940 0.32241093878354 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.520812780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.595368810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.059916400000001 Atomic positions (fractional): *1 P 0.13024888031561 0.67827454573042 0.56404967679949 30.974 > 1 2 P 0.36975111968439 0.32172545426958 0.06404967679949 30.974 > 2 3 P 0.86975111968439 0.17827454573042 0.93595032320051 30.974 > 3 4 P 0.63024888031561 0.82172545426958 0.43595032320051 30.974 > 4 5 P 0.63024888031561 0.67827454573042 0.93595032320051 30.974 > 5 6 P 0.13024888031561 0.82172545426958 0.06404967679949 30.974 > 6 7 P 0.36975111968439 0.17827454573042 0.56404967679949 30.974 > 7 8 P 0.86975111968439 0.32172545426958 0.43595032320051 30.974 > 8 *9 Co 0.51254015339066 0.18006875576582 0.37899468383773 58.933 > 9 10 Co 0.51254015339066 0.31993124423418 0.87899468383773 58.933 > 10 11 Co 0.98745984660934 0.68006875576582 0.37899468383773 58.933 > 11 12 Co 0.48745984660934 0.81993124423418 0.62100531616227 58.933 > 12 13 Co 0.01254015339066 0.31993124423418 0.62100531616227 58.933 > 13 14 Co 0.98745984660934 0.81993124423418 0.87899468383773 58.933 > 14 15 Co 0.48745984660934 0.68006875576582 0.12100531616227 58.933 > 15 16 Co 0.01254015339066 0.18006875576582 0.12100531616227 58.933 > 16 *17 Se 0.61924116684552 0.06870598375940 0.17758906121646 78.960 > 17 18 Se 0.11924116684552 0.43129401624060 0.82241093878354 78.960 > 18 19 Se 0.38075883315448 0.56870598375940 0.32241093878354 78.960 > 19 20 Se 0.88075883315448 0.93129401624060 0.67758906121646 78.960 > 20 21 Se 0.38075883315448 0.93129401624060 0.82241093878354 78.960 > 21 22 Se 0.88075883315448 0.56870598375940 0.17758906121646 78.960 > 22 23 Se 0.61924116684552 0.43129401624060 0.67758906121646 78.960 > 23 24 Se 0.11924116684552 0.06870598375940 0.32241093878354 78.960 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.562438340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.190737620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.059916400000001 Atomic positions (fractional): *1 P 0.04341629343854 0.33913727286521 0.56404967679949 30.974 > 1 2 P 0.37674962677187 0.33913727286521 0.56404967679949 30.974 > 1 3 P 0.71008296010520 0.33913727286521 0.56404967679949 30.974 > 1 4 P 0.04341629343854 0.83913727286521 0.56404967679949 30.974 > 1 5 P 0.37674962677187 0.83913727286521 0.56404967679949 30.974 > 1 6 P 0.71008296010520 0.83913727286521 0.56404967679949 30.974 > 1 7 P 0.12325037322813 0.16086272713479 0.06404967679949 30.974 > 2 8 P 0.45658370656146 0.16086272713479 0.06404967679949 30.974 > 2 9 P 0.78991703989480 0.16086272713479 0.06404967679949 30.974 > 2 10 P 0.12325037322813 0.66086272713479 0.06404967679949 30.974 > 2 11 P 0.45658370656146 0.66086272713479 0.06404967679949 30.974 > 2 12 P 0.78991703989480 0.66086272713479 0.06404967679949 30.974 > 2 13 P 0.28991703989480 0.08913727286521 0.93595032320051 30.974 > 3 14 P 0.62325037322813 0.08913727286521 0.93595032320051 30.974 > 3 15 P 0.95658370656146 0.08913727286521 0.93595032320051 30.974 > 3 16 P 0.28991703989480 0.58913727286521 0.93595032320051 30.974 > 3 17 P 0.62325037322813 0.58913727286521 0.93595032320051 30.974 > 3 18 P 0.95658370656146 0.58913727286521 0.93595032320051 30.974 > 3 19 P 0.21008296010520 0.41086272713479 0.43595032320051 30.974 > 4 20 P 0.54341629343854 0.41086272713479 0.43595032320051 30.974 > 4 21 P 0.87674962677187 0.41086272713479 0.43595032320051 30.974 > 4 22 P 0.21008296010520 0.91086272713479 0.43595032320051 30.974 > 4 23 P 0.54341629343854 0.91086272713479 0.43595032320051 30.974 > 4 24 P 0.87674962677187 0.91086272713479 0.43595032320051 30.974 > 4 25 P 0.21008296010520 0.33913727286521 0.93595032320051 30.974 > 5 26 P 0.54341629343854 0.33913727286521 0.93595032320051 30.974 > 5 27 P 0.87674962677187 0.33913727286521 0.93595032320051 30.974 > 5 28 P 0.21008296010520 0.83913727286521 0.93595032320051 30.974 > 5 29 P 0.54341629343854 0.83913727286521 0.93595032320051 30.974 > 5 30 P 0.87674962677187 0.83913727286521 0.93595032320051 30.974 > 5 31 P 0.04341629343854 0.41086272713479 0.06404967679949 30.974 > 6 32 P 0.37674962677187 0.41086272713479 0.06404967679949 30.974 > 6 33 P 0.71008296010520 0.41086272713479 0.06404967679949 30.974 > 6 34 P 0.04341629343854 0.91086272713479 0.06404967679949 30.974 > 6 35 P 0.37674962677187 0.91086272713479 0.06404967679949 30.974 > 6 36 P 0.71008296010520 0.91086272713479 0.06404967679949 30.974 > 6 37 P 0.12325037322813 0.08913727286521 0.56404967679949 30.974 > 7 38 P 0.45658370656146 0.08913727286521 0.56404967679949 30.974 > 7 39 P 0.78991703989480 0.08913727286521 0.56404967679949 30.974 > 7 40 P 0.12325037322813 0.58913727286521 0.56404967679949 30.974 > 7 41 P 0.45658370656146 0.58913727286521 0.56404967679949 30.974 > 7 42 P 0.78991703989480 0.58913727286521 0.56404967679949 30.974 > 7 43 P 0.28991703989480 0.16086272713479 0.43595032320051 30.974 > 8 44 P 0.62325037322813 0.16086272713479 0.43595032320051 30.974 > 8 45 P 0.95658370656146 0.16086272713479 0.43595032320051 30.974 > 8 46 P 0.28991703989480 0.66086272713479 0.43595032320051 30.974 > 8 47 P 0.62325037322813 0.66086272713479 0.43595032320051 30.974 > 8 48 P 0.95658370656146 0.66086272713479 0.43595032320051 30.974 > 8 *49 Co 0.17084671779689 0.09003437788291 0.37899468383773 58.933 > 9 50 Co 0.50418005113022 0.09003437788291 0.37899468383773 58.933 > 9 51 Co 0.83751338446355 0.09003437788291 0.37899468383773 58.933 > 9 52 Co 0.17084671779689 0.59003437788291 0.37899468383773 58.933 > 9 53 Co 0.50418005113022 0.59003437788291 0.37899468383773 58.933 > 9 54 Co 0.83751338446355 0.59003437788291 0.37899468383773 58.933 > 9 55 Co 0.17084671779689 0.15996562211709 0.87899468383773 58.933 > 10 56 Co 0.50418005113022 0.15996562211709 0.87899468383773 58.933 > 10 57 Co 0.83751338446355 0.15996562211709 0.87899468383773 58.933 > 10 58 Co 0.17084671779689 0.65996562211709 0.87899468383773 58.933 > 10 59 Co 0.50418005113022 0.65996562211709 0.87899468383773 58.933 > 10 60 Co 0.83751338446355 0.65996562211709 0.87899468383773 58.933 > 10 61 Co 0.32915328220311 0.34003437788291 0.37899468383773 58.933 > 11 62 Co 0.66248661553645 0.34003437788291 0.37899468383773 58.933 > 11 63 Co 0.99581994886978 0.34003437788291 0.37899468383773 58.933 > 11 64 Co 0.32915328220311 0.84003437788291 0.37899468383773 58.933 > 11 65 Co 0.66248661553645 0.84003437788291 0.37899468383773 58.933 > 11 66 Co 0.99581994886978 0.84003437788291 0.37899468383773 58.933 > 11 67 Co 0.16248661553645 0.40996562211709 0.62100531616227 58.933 > 12 68 Co 0.49581994886978 0.40996562211709 0.62100531616227 58.933 > 12 69 Co 0.82915328220311 0.40996562211709 0.62100531616227 58.933 > 12 70 Co 0.16248661553645 0.90996562211709 0.62100531616227 58.933 > 12 71 Co 0.49581994886978 0.90996562211709 0.62100531616227 58.933 > 12 72 Co 0.82915328220311 0.90996562211709 0.62100531616227 58.933 > 12 73 Co 0.00418005113022 0.15996562211709 0.62100531616227 58.933 > 13 74 Co 0.33751338446355 0.15996562211709 0.62100531616227 58.933 > 13 75 Co 0.67084671779689 0.15996562211709 0.62100531616227 58.933 > 13 76 Co 0.00418005113022 0.65996562211709 0.62100531616227 58.933 > 13 77 Co 0.33751338446355 0.65996562211709 0.62100531616227 58.933 > 13 78 Co 0.67084671779689 0.65996562211709 0.62100531616227 58.933 > 13 79 Co 0.32915328220311 0.40996562211709 0.87899468383773 58.933 > 14 80 Co 0.66248661553645 0.40996562211709 0.87899468383773 58.933 > 14 81 Co 0.99581994886978 0.40996562211709 0.87899468383773 58.933 > 14 82 Co 0.32915328220311 0.90996562211709 0.87899468383773 58.933 > 14 83 Co 0.66248661553645 0.90996562211709 0.87899468383773 58.933 > 14 84 Co 0.99581994886978 0.90996562211709 0.87899468383773 58.933 > 14 85 Co 0.16248661553645 0.34003437788291 0.12100531616227 58.933 > 15 86 Co 0.49581994886978 0.34003437788291 0.12100531616227 58.933 > 15 87 Co 0.82915328220311 0.34003437788291 0.12100531616227 58.933 > 15 88 Co 0.16248661553645 0.84003437788291 0.12100531616227 58.933 > 15 89 Co 0.49581994886978 0.84003437788291 0.12100531616227 58.933 > 15 90 Co 0.82915328220311 0.84003437788291 0.12100531616227 58.933 > 15 91 Co 0.00418005113022 0.09003437788291 0.12100531616227 58.933 > 16 92 Co 0.33751338446355 0.09003437788291 0.12100531616227 58.933 > 16 93 Co 0.67084671779689 0.09003437788291 0.12100531616227 58.933 > 16 94 Co 0.00418005113022 0.59003437788291 0.12100531616227 58.933 > 16 95 Co 0.33751338446355 0.59003437788291 0.12100531616227 58.933 > 16 96 Co 0.67084671779689 0.59003437788291 0.12100531616227 58.933 > 16 *97 Se 0.20641372228184 0.03435299187970 0.17758906121646 78.960 > 17 98 Se 0.53974705561517 0.03435299187970 0.17758906121646 78.960 > 17 99 Se 0.87308038894851 0.03435299187970 0.17758906121646 78.960 > 17 100 Se 0.20641372228184 0.53435299187970 0.17758906121646 78.960 > 17 101 Se 0.53974705561517 0.53435299187970 0.17758906121646 78.960 > 17 102 Se 0.87308038894851 0.53435299187970 0.17758906121646 78.960 > 17 103 Se 0.03974705561517 0.21564700812030 0.82241093878354 78.960 > 18 104 Se 0.37308038894851 0.21564700812030 0.82241093878354 78.960 > 18 105 Se 0.70641372228184 0.21564700812030 0.82241093878354 78.960 > 18 106 Se 0.03974705561517 0.71564700812030 0.82241093878354 78.960 > 18 107 Se 0.37308038894851 0.71564700812030 0.82241093878354 78.960 > 18 108 Se 0.70641372228184 0.71564700812030 0.82241093878354 78.960 > 18 109 Se 0.12691961105149 0.28435299187970 0.32241093878354 78.960 > 19 110 Se 0.46025294438483 0.28435299187970 0.32241093878354 78.960 > 19 111 Se 0.79358627771816 0.28435299187970 0.32241093878354 78.960 > 19 112 Se 0.12691961105149 0.78435299187970 0.32241093878354 78.960 > 19 113 Se 0.46025294438483 0.78435299187970 0.32241093878354 78.960 > 19 114 Se 0.79358627771816 0.78435299187970 0.32241093878354 78.960 > 19 115 Se 0.29358627771816 0.46564700812030 0.67758906121646 78.960 > 20 116 Se 0.62691961105149 0.46564700812030 0.67758906121646 78.960 > 20 117 Se 0.96025294438483 0.46564700812030 0.67758906121646 78.960 > 20 118 Se 0.29358627771816 0.96564700812030 0.67758906121646 78.960 > 20 119 Se 0.62691961105149 0.96564700812030 0.67758906121646 78.960 > 20 120 Se 0.96025294438483 0.96564700812030 0.67758906121646 78.960 > 20 121 Se 0.12691961105149 0.46564700812030 0.82241093878354 78.960 > 21 122 Se 0.46025294438483 0.46564700812030 0.82241093878354 78.960 > 21 123 Se 0.79358627771816 0.46564700812030 0.82241093878354 78.960 > 21 124 Se 0.12691961105149 0.96564700812030 0.82241093878354 78.960 > 21 125 Se 0.46025294438483 0.96564700812030 0.82241093878354 78.960 > 21 126 Se 0.79358627771816 0.96564700812030 0.82241093878354 78.960 > 21 127 Se 0.29358627771816 0.28435299187970 0.17758906121646 78.960 > 22 128 Se 0.62691961105149 0.28435299187970 0.17758906121646 78.960 > 22 129 Se 0.96025294438483 0.28435299187970 0.17758906121646 78.960 > 22 130 Se 0.29358627771816 0.78435299187970 0.17758906121646 78.960 > 22 131 Se 0.62691961105149 0.78435299187970 0.17758906121646 78.960 > 22 132 Se 0.96025294438483 0.78435299187970 0.17758906121646 78.960 > 22 133 Se 0.20641372228184 0.21564700812030 0.67758906121646 78.960 > 23 134 Se 0.53974705561517 0.21564700812030 0.67758906121646 78.960 > 23 135 Se 0.87308038894851 0.21564700812030 0.67758906121646 78.960 > 23 136 Se 0.20641372228184 0.71564700812030 0.67758906121646 78.960 > 23 137 Se 0.53974705561517 0.71564700812030 0.67758906121646 78.960 > 23 138 Se 0.87308038894851 0.71564700812030 0.67758906121646 78.960 > 23 139 Se 0.03974705561517 0.03435299187970 0.32241093878354 78.960 > 24 140 Se 0.37308038894851 0.03435299187970 0.32241093878354 78.960 > 24 141 Se 0.70641372228184 0.03435299187970 0.32241093878354 78.960 > 24 142 Se 0.03974705561517 0.53435299187970 0.32241093878354 78.960 > 24 143 Se 0.37308038894851 0.53435299187970 0.32241093878354 78.960 > 24 144 Se 0.70641372228184 0.53435299187970 0.32241093878354 78.960 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 22.9175779 0.0000000 0.0000000 0.0000000 21.9748599 0.0000000 0.0000000 0.0000000 22.9735195 -------------------------- Born effective charges -------------------------- 1 P 3.4842963 -0.6051553 -0.1078585 -0.1535322 3.1069372 0.1837068 -0.4208974 0.1129161 3.4061536 2 P 3.4842963 -0.6051553 0.1078585 -0.1535322 3.1069372 -0.1837068 0.4208974 -0.1129161 3.4061536 3 P 3.4842963 0.6051553 -0.1078585 0.1535322 3.1069372 -0.1837068 -0.4208974 -0.1129161 3.4061536 4 P 3.4842963 0.6051553 0.1078585 0.1535322 3.1069372 0.1837068 0.4208974 0.1129161 3.4061536 5 P 3.4842963 -0.6051553 0.1078585 -0.1535322 3.1069372 -0.1837068 0.4208974 -0.1129161 3.4061536 6 P 3.4842963 0.6051553 -0.1078585 0.1535322 3.1069372 -0.1837068 -0.4208974 -0.1129161 3.4061536 7 P 3.4842963 0.6051553 0.1078585 0.1535322 3.1069372 0.1837068 0.4208974 0.1129161 3.4061536 8 P 3.4842963 -0.6051553 -0.1078585 -0.1535322 3.1069372 0.1837068 -0.4208974 0.1129161 3.4061536 9 Co -4.7169045 -0.4512487 -0.0991254 -0.3741105 -4.2570318 0.2854963 0.0702414 0.0845691 -4.3875777 10 Co -4.7169045 0.4512487 -0.0991254 0.3741105 -4.2570318 -0.2854963 0.0702414 -0.0845691 -4.3875777 11 Co -4.7169045 0.4512487 0.0991254 0.3741105 -4.2570318 0.2854963 -0.0702414 0.0845691 -4.3875777 12 Co -4.7169045 -0.4512487 -0.0991254 -0.3741105 -4.2570318 0.2854963 0.0702414 0.0845691 -4.3875777 13 Co -4.7169045 0.4512487 0.0991254 0.3741105 -4.2570318 0.2854963 -0.0702414 0.0845691 -4.3875777 14 Co -4.7169045 -0.4512487 0.0991254 -0.3741105 -4.2570318 -0.2854963 -0.0702414 -0.0845691 -4.3875777 15 Co -4.7169045 0.4512487 -0.0991254 0.3741105 -4.2570318 -0.2854963 0.0702414 -0.0845691 -4.3875777 16 Co -4.7169045 -0.4512487 0.0991254 -0.3741105 -4.2570318 -0.2854963 -0.0702414 -0.0845691 -4.3875777 17 Se 1.2326083 0.0107926 0.0220033 0.0726315 1.1500946 -0.3156441 -0.1333369 -0.0889868 0.9814240 18 Se 1.2326083 -0.0107926 -0.0220033 -0.0726315 1.1500946 -0.3156441 0.1333369 -0.0889868 0.9814240 19 Se 1.2326083 -0.0107926 0.0220033 -0.0726315 1.1500946 0.3156441 -0.1333369 0.0889868 0.9814240 20 Se 1.2326083 0.0107926 -0.0220033 0.0726315 1.1500946 0.3156441 0.1333369 0.0889868 0.9814240 21 Se 1.2326083 0.0107926 0.0220033 0.0726315 1.1500946 -0.3156441 -0.1333369 -0.0889868 0.9814240 22 Se 1.2326083 -0.0107926 -0.0220033 -0.0726315 1.1500946 -0.3156441 0.1333369 -0.0889868 0.9814240 23 Se 1.2326083 -0.0107926 0.0220033 -0.0726315 1.1500946 0.3156441 -0.1333369 0.0889868 0.9814240 24 Se 1.2326083 0.0107926 -0.0220033 0.0726315 1.1500946 0.3156441 0.1333369 0.0889868 0.9814240 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2007), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 4.525 Solver_block: 200 / 400 - Time: 4.591 Solver_block: 300 / 400 - Time: 4.588 Solver_block: 400 / 400 - Time: 4.601 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.365 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2007), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 426), data: True |-- (432, 426), data: True |-- (432, 426), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:41:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:30]------------------------- 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): [3 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.520812780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.595368810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.059916400000001 Atomic positions (fractional): 1 P 0.13024888031561 0.67827454573042 0.56404967679949 30.974 2 P 0.36975111968439 0.32172545426958 0.06404967679949 30.974 3 P 0.86975111968439 0.17827454573042 0.93595032320051 30.974 4 P 0.63024888031561 0.82172545426958 0.43595032320051 30.974 5 P 0.63024888031561 0.67827454573042 0.93595032320051 30.974 6 P 0.13024888031561 0.82172545426958 0.06404967679949 30.974 7 P 0.36975111968439 0.17827454573042 0.56404967679949 30.974 8 P 0.86975111968439 0.32172545426958 0.43595032320051 30.974 9 Co 0.51254015339066 0.18006875576582 0.37899468383773 58.933 10 Co 0.51254015339066 0.31993124423418 0.87899468383773 58.933 11 Co 0.98745984660934 0.68006875576582 0.37899468383773 58.933 12 Co 0.48745984660934 0.81993124423418 0.62100531616227 58.933 13 Co 0.01254015339066 0.31993124423418 0.62100531616227 58.933 14 Co 0.98745984660934 0.81993124423418 0.87899468383773 58.933 15 Co 0.48745984660934 0.68006875576582 0.12100531616227 58.933 16 Co 0.01254015339066 0.18006875576582 0.12100531616227 58.933 17 Se 0.61924116684552 0.06870598375940 0.17758906121646 78.960 18 Se 0.11924116684552 0.43129401624060 0.82241093878354 78.960 19 Se 0.38075883315448 0.56870598375940 0.32241093878354 78.960 20 Se 0.88075883315448 0.93129401624060 0.67758906121646 78.960 21 Se 0.38075883315448 0.93129401624060 0.82241093878354 78.960 22 Se 0.88075883315448 0.56870598375940 0.17758906121646 78.960 23 Se 0.61924116684552 0.43129401624060 0.67758906121646 78.960 24 Se 0.11924116684552 0.06870598375940 0.32241093878354 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.562438340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.190737620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.059916400000001 Atomic positions (fractional): 1 P 0.04341629343854 0.33913727286521 0.56404967679949 30.974 > 1 2 P 0.37674962677187 0.33913727286521 0.56404967679949 30.974 > 1 3 P 0.71008296010520 0.33913727286521 0.56404967679949 30.974 > 1 4 P 0.04341629343854 0.83913727286521 0.56404967679949 30.974 > 1 5 P 0.37674962677187 0.83913727286521 0.56404967679949 30.974 > 1 6 P 0.71008296010520 0.83913727286521 0.56404967679949 30.974 > 1 7 P 0.12325037322813 0.16086272713479 0.06404967679949 30.974 > 7 8 P 0.45658370656146 0.16086272713479 0.06404967679949 30.974 > 7 9 P 0.78991703989480 0.16086272713479 0.06404967679949 30.974 > 7 10 P 0.12325037322813 0.66086272713479 0.06404967679949 30.974 > 7 11 P 0.45658370656146 0.66086272713479 0.06404967679949 30.974 > 7 12 P 0.78991703989480 0.66086272713479 0.06404967679949 30.974 > 7 13 P 0.28991703989480 0.08913727286521 0.93595032320051 30.974 > 13 14 P 0.62325037322813 0.08913727286521 0.93595032320051 30.974 > 13 15 P 0.95658370656146 0.08913727286521 0.93595032320051 30.974 > 13 16 P 0.28991703989480 0.58913727286521 0.93595032320051 30.974 > 13 17 P 0.62325037322813 0.58913727286521 0.93595032320051 30.974 > 13 18 P 0.95658370656146 0.58913727286521 0.93595032320051 30.974 > 13 19 P 0.21008296010520 0.41086272713479 0.43595032320051 30.974 > 19 20 P 0.54341629343854 0.41086272713479 0.43595032320051 30.974 > 19 21 P 0.87674962677187 0.41086272713479 0.43595032320051 30.974 > 19 22 P 0.21008296010520 0.91086272713479 0.43595032320051 30.974 > 19 23 P 0.54341629343854 0.91086272713479 0.43595032320051 30.974 > 19 24 P 0.87674962677187 0.91086272713479 0.43595032320051 30.974 > 19 25 P 0.21008296010520 0.33913727286521 0.93595032320051 30.974 > 25 26 P 0.54341629343854 0.33913727286521 0.93595032320051 30.974 > 25 27 P 0.87674962677187 0.33913727286521 0.93595032320051 30.974 > 25 28 P 0.21008296010520 0.83913727286521 0.93595032320051 30.974 > 25 29 P 0.54341629343854 0.83913727286521 0.93595032320051 30.974 > 25 30 P 0.87674962677187 0.83913727286521 0.93595032320051 30.974 > 25 31 P 0.04341629343854 0.41086272713479 0.06404967679949 30.974 > 31 32 P 0.37674962677187 0.41086272713479 0.06404967679949 30.974 > 31 33 P 0.71008296010520 0.41086272713479 0.06404967679949 30.974 > 31 34 P 0.04341629343854 0.91086272713479 0.06404967679949 30.974 > 31 35 P 0.37674962677187 0.91086272713479 0.06404967679949 30.974 > 31 36 P 0.71008296010520 0.91086272713479 0.06404967679949 30.974 > 31 37 P 0.12325037322813 0.08913727286521 0.56404967679949 30.974 > 37 38 P 0.45658370656146 0.08913727286521 0.56404967679949 30.974 > 37 39 P 0.78991703989480 0.08913727286521 0.56404967679949 30.974 > 37 40 P 0.12325037322813 0.58913727286521 0.56404967679949 30.974 > 37 41 P 0.45658370656146 0.58913727286521 0.56404967679949 30.974 > 37 42 P 0.78991703989480 0.58913727286521 0.56404967679949 30.974 > 37 43 P 0.28991703989480 0.16086272713479 0.43595032320051 30.974 > 43 44 P 0.62325037322813 0.16086272713479 0.43595032320051 30.974 > 43 45 P 0.95658370656146 0.16086272713479 0.43595032320051 30.974 > 43 46 P 0.28991703989480 0.66086272713479 0.43595032320051 30.974 > 43 47 P 0.62325037322813 0.66086272713479 0.43595032320051 30.974 > 43 48 P 0.95658370656146 0.66086272713479 0.43595032320051 30.974 > 43 49 Co 0.17084671779689 0.09003437788291 0.37899468383773 58.933 > 49 50 Co 0.50418005113022 0.09003437788291 0.37899468383773 58.933 > 49 51 Co 0.83751338446355 0.09003437788291 0.37899468383773 58.933 > 49 52 Co 0.17084671779689 0.59003437788291 0.37899468383773 58.933 > 49 53 Co 0.50418005113022 0.59003437788291 0.37899468383773 58.933 > 49 54 Co 0.83751338446355 0.59003437788291 0.37899468383773 58.933 > 49 55 Co 0.17084671779689 0.15996562211709 0.87899468383773 58.933 > 55 56 Co 0.50418005113022 0.15996562211709 0.87899468383773 58.933 > 55 57 Co 0.83751338446355 0.15996562211709 0.87899468383773 58.933 > 55 58 Co 0.17084671779689 0.65996562211709 0.87899468383773 58.933 > 55 59 Co 0.50418005113022 0.65996562211709 0.87899468383773 58.933 > 55 60 Co 0.83751338446355 0.65996562211709 0.87899468383773 58.933 > 55 61 Co 0.32915328220311 0.34003437788291 0.37899468383773 58.933 > 61 62 Co 0.66248661553645 0.34003437788291 0.37899468383773 58.933 > 61 63 Co 0.99581994886978 0.34003437788291 0.37899468383773 58.933 > 61 64 Co 0.32915328220311 0.84003437788291 0.37899468383773 58.933 > 61 65 Co 0.66248661553645 0.84003437788291 0.37899468383773 58.933 > 61 66 Co 0.99581994886978 0.84003437788291 0.37899468383773 58.933 > 61 67 Co 0.16248661553645 0.40996562211709 0.62100531616227 58.933 > 67 68 Co 0.49581994886978 0.40996562211709 0.62100531616227 58.933 > 67 69 Co 0.82915328220311 0.40996562211709 0.62100531616227 58.933 > 67 70 Co 0.16248661553645 0.90996562211709 0.62100531616227 58.933 > 67 71 Co 0.49581994886978 0.90996562211709 0.62100531616227 58.933 > 67 72 Co 0.82915328220311 0.90996562211709 0.62100531616227 58.933 > 67 73 Co 0.00418005113022 0.15996562211709 0.62100531616227 58.933 > 73 74 Co 0.33751338446355 0.15996562211709 0.62100531616227 58.933 > 73 75 Co 0.67084671779689 0.15996562211709 0.62100531616227 58.933 > 73 76 Co 0.00418005113022 0.65996562211709 0.62100531616227 58.933 > 73 77 Co 0.33751338446355 0.65996562211709 0.62100531616227 58.933 > 73 78 Co 0.67084671779689 0.65996562211709 0.62100531616227 58.933 > 73 79 Co 0.32915328220311 0.40996562211709 0.87899468383773 58.933 > 79 80 Co 0.66248661553645 0.40996562211709 0.87899468383773 58.933 > 79 81 Co 0.99581994886978 0.40996562211709 0.87899468383773 58.933 > 79 82 Co 0.32915328220311 0.90996562211709 0.87899468383773 58.933 > 79 83 Co 0.66248661553645 0.90996562211709 0.87899468383773 58.933 > 79 84 Co 0.99581994886978 0.90996562211709 0.87899468383773 58.933 > 79 85 Co 0.16248661553645 0.34003437788291 0.12100531616227 58.933 > 85 86 Co 0.49581994886978 0.34003437788291 0.12100531616227 58.933 > 85 87 Co 0.82915328220311 0.34003437788291 0.12100531616227 58.933 > 85 88 Co 0.16248661553645 0.84003437788291 0.12100531616227 58.933 > 85 89 Co 0.49581994886978 0.84003437788291 0.12100531616227 58.933 > 85 90 Co 0.82915328220311 0.84003437788291 0.12100531616227 58.933 > 85 91 Co 0.00418005113022 0.09003437788291 0.12100531616227 58.933 > 91 92 Co 0.33751338446355 0.09003437788291 0.12100531616227 58.933 > 91 93 Co 0.67084671779689 0.09003437788291 0.12100531616227 58.933 > 91 94 Co 0.00418005113022 0.59003437788291 0.12100531616227 58.933 > 91 95 Co 0.33751338446355 0.59003437788291 0.12100531616227 58.933 > 91 96 Co 0.67084671779689 0.59003437788291 0.12100531616227 58.933 > 91 97 Se 0.20641372228184 0.03435299187970 0.17758906121646 78.960 > 97 98 Se 0.53974705561517 0.03435299187970 0.17758906121646 78.960 > 97 99 Se 0.87308038894851 0.03435299187970 0.17758906121646 78.960 > 97 100 Se 0.20641372228184 0.53435299187970 0.17758906121646 78.960 > 97 101 Se 0.53974705561517 0.53435299187970 0.17758906121646 78.960 > 97 102 Se 0.87308038894851 0.53435299187970 0.17758906121646 78.960 > 97 103 Se 0.03974705561517 0.21564700812030 0.82241093878354 78.960 > 103 104 Se 0.37308038894851 0.21564700812030 0.82241093878354 78.960 > 103 105 Se 0.70641372228184 0.21564700812030 0.82241093878354 78.960 > 103 106 Se 0.03974705561517 0.71564700812030 0.82241093878354 78.960 > 103 107 Se 0.37308038894851 0.71564700812030 0.82241093878354 78.960 > 103 108 Se 0.70641372228184 0.71564700812030 0.82241093878354 78.960 > 103 109 Se 0.12691961105149 0.28435299187970 0.32241093878354 78.960 > 109 110 Se 0.46025294438483 0.28435299187970 0.32241093878354 78.960 > 109 111 Se 0.79358627771816 0.28435299187970 0.32241093878354 78.960 > 109 112 Se 0.12691961105149 0.78435299187970 0.32241093878354 78.960 > 109 113 Se 0.46025294438483 0.78435299187970 0.32241093878354 78.960 > 109 114 Se 0.79358627771816 0.78435299187970 0.32241093878354 78.960 > 109 115 Se 0.29358627771816 0.46564700812030 0.67758906121646 78.960 > 115 116 Se 0.62691961105149 0.46564700812030 0.67758906121646 78.960 > 115 117 Se 0.96025294438483 0.46564700812030 0.67758906121646 78.960 > 115 118 Se 0.29358627771816 0.96564700812030 0.67758906121646 78.960 > 115 119 Se 0.62691961105149 0.96564700812030 0.67758906121646 78.960 > 115 120 Se 0.96025294438483 0.96564700812030 0.67758906121646 78.960 > 115 121 Se 0.12691961105149 0.46564700812030 0.82241093878354 78.960 > 121 122 Se 0.46025294438483 0.46564700812030 0.82241093878354 78.960 > 121 123 Se 0.79358627771816 0.46564700812030 0.82241093878354 78.960 > 121 124 Se 0.12691961105149 0.96564700812030 0.82241093878354 78.960 > 121 125 Se 0.46025294438483 0.96564700812030 0.82241093878354 78.960 > 121 126 Se 0.79358627771816 0.96564700812030 0.82241093878354 78.960 > 121 127 Se 0.29358627771816 0.28435299187970 0.17758906121646 78.960 > 127 128 Se 0.62691961105149 0.28435299187970 0.17758906121646 78.960 > 127 129 Se 0.96025294438483 0.28435299187970 0.17758906121646 78.960 > 127 130 Se 0.29358627771816 0.78435299187970 0.17758906121646 78.960 > 127 131 Se 0.62691961105149 0.78435299187970 0.17758906121646 78.960 > 127 132 Se 0.96025294438483 0.78435299187970 0.17758906121646 78.960 > 127 133 Se 0.20641372228184 0.21564700812030 0.67758906121646 78.960 > 133 134 Se 0.53974705561517 0.21564700812030 0.67758906121646 78.960 > 133 135 Se 0.87308038894851 0.21564700812030 0.67758906121646 78.960 > 133 136 Se 0.20641372228184 0.71564700812030 0.67758906121646 78.960 > 133 137 Se 0.53974705561517 0.71564700812030 0.67758906121646 78.960 > 133 138 Se 0.87308038894851 0.71564700812030 0.67758906121646 78.960 > 133 139 Se 0.03974705561517 0.03435299187970 0.32241093878354 78.960 > 139 140 Se 0.37308038894851 0.03435299187970 0.32241093878354 78.960 > 139 141 Se 0.70641372228184 0.03435299187970 0.32241093878354 78.960 > 139 142 Se 0.03974705561517 0.53435299187970 0.32241093878354 78.960 > 139 143 Se 0.37308038894851 0.53435299187970 0.32241093878354 78.960 > 139 144 Se 0.70641372228184 0.53435299187970 0.32241093878354 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 22.9175779 0.0000000 0.0000000 0.0000000 21.9748599 0.0000000 0.0000000 0.0000000 22.9735195 -------------------------- Born effective charges -------------------------- 1 P 3.4842963 -0.6051553 -0.1078585 -0.1535322 3.1069372 0.1837068 -0.4208974 0.1129161 3.4061536 2 P 3.4842963 -0.6051553 0.1078585 -0.1535322 3.1069372 -0.1837068 0.4208974 -0.1129161 3.4061536 3 P 3.4842963 0.6051553 -0.1078585 0.1535322 3.1069372 -0.1837068 -0.4208974 -0.1129161 3.4061536 4 P 3.4842963 0.6051553 0.1078585 0.1535322 3.1069372 0.1837068 0.4208974 0.1129161 3.4061536 5 P 3.4842963 -0.6051553 0.1078585 -0.1535322 3.1069372 -0.1837068 0.4208974 -0.1129161 3.4061536 6 P 3.4842963 0.6051553 -0.1078585 0.1535322 3.1069372 -0.1837068 -0.4208974 -0.1129161 3.4061536 7 P 3.4842963 0.6051553 0.1078585 0.1535322 3.1069372 0.1837068 0.4208974 0.1129161 3.4061536 8 P 3.4842963 -0.6051553 -0.1078585 -0.1535322 3.1069372 0.1837068 -0.4208974 0.1129161 3.4061536 9 Co -4.7169045 -0.4512487 -0.0991254 -0.3741105 -4.2570318 0.2854963 0.0702414 0.0845691 -4.3875777 10 Co -4.7169045 0.4512487 -0.0991254 0.3741105 -4.2570318 -0.2854963 0.0702414 -0.0845691 -4.3875777 11 Co -4.7169045 0.4512487 0.0991254 0.3741105 -4.2570318 0.2854963 -0.0702414 0.0845691 -4.3875777 12 Co -4.7169045 -0.4512487 -0.0991254 -0.3741105 -4.2570318 0.2854963 0.0702414 0.0845691 -4.3875777 13 Co -4.7169045 0.4512487 0.0991254 0.3741105 -4.2570318 0.2854963 -0.0702414 0.0845691 -4.3875777 14 Co -4.7169045 -0.4512487 0.0991254 -0.3741105 -4.2570318 -0.2854963 -0.0702414 -0.0845691 -4.3875777 15 Co -4.7169045 0.4512487 -0.0991254 0.3741105 -4.2570318 -0.2854963 0.0702414 -0.0845691 -4.3875777 16 Co -4.7169045 -0.4512487 0.0991254 -0.3741105 -4.2570318 -0.2854963 -0.0702414 -0.0845691 -4.3875777 17 Se 1.2326083 0.0107926 0.0220033 0.0726315 1.1500946 -0.3156441 -0.1333369 -0.0889868 0.9814240 18 Se 1.2326083 -0.0107926 -0.0220033 -0.0726315 1.1500946 -0.3156441 0.1333369 -0.0889868 0.9814240 19 Se 1.2326083 -0.0107926 0.0220033 -0.0726315 1.1500946 0.3156441 -0.1333369 0.0889868 0.9814240 20 Se 1.2326083 0.0107926 -0.0220033 0.0726315 1.1500946 0.3156441 0.1333369 0.0889868 0.9814240 21 Se 1.2326083 0.0107926 0.0220033 0.0726315 1.1500946 -0.3156441 -0.1333369 -0.0889868 0.9814240 22 Se 1.2326083 -0.0107926 -0.0220033 -0.0726315 1.1500946 -0.3156441 0.1333369 -0.0889868 0.9814240 23 Se 1.2326083 -0.0107926 0.0220033 -0.0726315 1.1500946 0.3156441 -0.1333369 0.0889868 0.9814240 24 Se 1.2326083 0.0107926 -0.0220033 0.0726315 1.1500946 0.3156441 0.1333369 0.0889868 0.9814240 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:41:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:41:54]------------------------- 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): [3 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.520812780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.595368810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.059916400000001 Atomic positions (fractional): 1 P 0.13024888031561 0.67827454573042 0.56404967679949 30.974 2 P 0.36975111968439 0.32172545426958 0.06404967679949 30.974 3 P 0.86975111968439 0.17827454573042 0.93595032320051 30.974 4 P 0.63024888031561 0.82172545426958 0.43595032320051 30.974 5 P 0.63024888031561 0.67827454573042 0.93595032320051 30.974 6 P 0.13024888031561 0.82172545426958 0.06404967679949 30.974 7 P 0.36975111968439 0.17827454573042 0.56404967679949 30.974 8 P 0.86975111968439 0.32172545426958 0.43595032320051 30.974 9 Co 0.51254015339066 0.18006875576582 0.37899468383773 58.933 10 Co 0.51254015339066 0.31993124423418 0.87899468383773 58.933 11 Co 0.98745984660934 0.68006875576582 0.37899468383773 58.933 12 Co 0.48745984660934 0.81993124423418 0.62100531616227 58.933 13 Co 0.01254015339066 0.31993124423418 0.62100531616227 58.933 14 Co 0.98745984660934 0.81993124423418 0.87899468383773 58.933 15 Co 0.48745984660934 0.68006875576582 0.12100531616227 58.933 16 Co 0.01254015339066 0.18006875576582 0.12100531616227 58.933 17 Se 0.61924116684552 0.06870598375940 0.17758906121646 78.960 18 Se 0.11924116684552 0.43129401624060 0.82241093878354 78.960 19 Se 0.38075883315448 0.56870598375940 0.32241093878354 78.960 20 Se 0.88075883315448 0.93129401624060 0.67758906121646 78.960 21 Se 0.38075883315448 0.93129401624060 0.82241093878354 78.960 22 Se 0.88075883315448 0.56870598375940 0.17758906121646 78.960 23 Se 0.61924116684552 0.43129401624060 0.67758906121646 78.960 24 Se 0.11924116684552 0.06870598375940 0.32241093878354 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.562438340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.190737620000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.059916400000001 Atomic positions (fractional): 1 P 0.04341629343854 0.33913727286521 0.56404967679949 30.974 > 1 2 P 0.37674962677187 0.33913727286521 0.56404967679949 30.974 > 1 3 P 0.71008296010520 0.33913727286521 0.56404967679949 30.974 > 1 4 P 0.04341629343854 0.83913727286521 0.56404967679949 30.974 > 1 5 P 0.37674962677187 0.83913727286521 0.56404967679949 30.974 > 1 6 P 0.71008296010520 0.83913727286521 0.56404967679949 30.974 > 1 7 P 0.12325037322813 0.16086272713479 0.06404967679949 30.974 > 7 8 P 0.45658370656146 0.16086272713479 0.06404967679949 30.974 > 7 9 P 0.78991703989480 0.16086272713479 0.06404967679949 30.974 > 7 10 P 0.12325037322813 0.66086272713479 0.06404967679949 30.974 > 7 11 P 0.45658370656146 0.66086272713479 0.06404967679949 30.974 > 7 12 P 0.78991703989480 0.66086272713479 0.06404967679949 30.974 > 7 13 P 0.28991703989480 0.08913727286521 0.93595032320051 30.974 > 13 14 P 0.62325037322813 0.08913727286521 0.93595032320051 30.974 > 13 15 P 0.95658370656146 0.08913727286521 0.93595032320051 30.974 > 13 16 P 0.28991703989480 0.58913727286521 0.93595032320051 30.974 > 13 17 P 0.62325037322813 0.58913727286521 0.93595032320051 30.974 > 13 18 P 0.95658370656146 0.58913727286521 0.93595032320051 30.974 > 13 19 P 0.21008296010520 0.41086272713479 0.43595032320051 30.974 > 19 20 P 0.54341629343854 0.41086272713479 0.43595032320051 30.974 > 19 21 P 0.87674962677187 0.41086272713479 0.43595032320051 30.974 > 19 22 P 0.21008296010520 0.91086272713479 0.43595032320051 30.974 > 19 23 P 0.54341629343854 0.91086272713479 0.43595032320051 30.974 > 19 24 P 0.87674962677187 0.91086272713479 0.43595032320051 30.974 > 19 25 P 0.21008296010520 0.33913727286521 0.93595032320051 30.974 > 25 26 P 0.54341629343854 0.33913727286521 0.93595032320051 30.974 > 25 27 P 0.87674962677187 0.33913727286521 0.93595032320051 30.974 > 25 28 P 0.21008296010520 0.83913727286521 0.93595032320051 30.974 > 25 29 P 0.54341629343854 0.83913727286521 0.93595032320051 30.974 > 25 30 P 0.87674962677187 0.83913727286521 0.93595032320051 30.974 > 25 31 P 0.04341629343854 0.41086272713479 0.06404967679949 30.974 > 31 32 P 0.37674962677187 0.41086272713479 0.06404967679949 30.974 > 31 33 P 0.71008296010520 0.41086272713479 0.06404967679949 30.974 > 31 34 P 0.04341629343854 0.91086272713479 0.06404967679949 30.974 > 31 35 P 0.37674962677187 0.91086272713479 0.06404967679949 30.974 > 31 36 P 0.71008296010520 0.91086272713479 0.06404967679949 30.974 > 31 37 P 0.12325037322813 0.08913727286521 0.56404967679949 30.974 > 37 38 P 0.45658370656146 0.08913727286521 0.56404967679949 30.974 > 37 39 P 0.78991703989480 0.08913727286521 0.56404967679949 30.974 > 37 40 P 0.12325037322813 0.58913727286521 0.56404967679949 30.974 > 37 41 P 0.45658370656146 0.58913727286521 0.56404967679949 30.974 > 37 42 P 0.78991703989480 0.58913727286521 0.56404967679949 30.974 > 37 43 P 0.28991703989480 0.16086272713479 0.43595032320051 30.974 > 43 44 P 0.62325037322813 0.16086272713479 0.43595032320051 30.974 > 43 45 P 0.95658370656146 0.16086272713479 0.43595032320051 30.974 > 43 46 P 0.28991703989480 0.66086272713479 0.43595032320051 30.974 > 43 47 P 0.62325037322813 0.66086272713479 0.43595032320051 30.974 > 43 48 P 0.95658370656146 0.66086272713479 0.43595032320051 30.974 > 43 49 Co 0.17084671779689 0.09003437788291 0.37899468383773 58.933 > 49 50 Co 0.50418005113022 0.09003437788291 0.37899468383773 58.933 > 49 51 Co 0.83751338446355 0.09003437788291 0.37899468383773 58.933 > 49 52 Co 0.17084671779689 0.59003437788291 0.37899468383773 58.933 > 49 53 Co 0.50418005113022 0.59003437788291 0.37899468383773 58.933 > 49 54 Co 0.83751338446355 0.59003437788291 0.37899468383773 58.933 > 49 55 Co 0.17084671779689 0.15996562211709 0.87899468383773 58.933 > 55 56 Co 0.50418005113022 0.15996562211709 0.87899468383773 58.933 > 55 57 Co 0.83751338446355 0.15996562211709 0.87899468383773 58.933 > 55 58 Co 0.17084671779689 0.65996562211709 0.87899468383773 58.933 > 55 59 Co 0.50418005113022 0.65996562211709 0.87899468383773 58.933 > 55 60 Co 0.83751338446355 0.65996562211709 0.87899468383773 58.933 > 55 61 Co 0.32915328220311 0.34003437788291 0.37899468383773 58.933 > 61 62 Co 0.66248661553645 0.34003437788291 0.37899468383773 58.933 > 61 63 Co 0.99581994886978 0.34003437788291 0.37899468383773 58.933 > 61 64 Co 0.32915328220311 0.84003437788291 0.37899468383773 58.933 > 61 65 Co 0.66248661553645 0.84003437788291 0.37899468383773 58.933 > 61 66 Co 0.99581994886978 0.84003437788291 0.37899468383773 58.933 > 61 67 Co 0.16248661553645 0.40996562211709 0.62100531616227 58.933 > 67 68 Co 0.49581994886978 0.40996562211709 0.62100531616227 58.933 > 67 69 Co 0.82915328220311 0.40996562211709 0.62100531616227 58.933 > 67 70 Co 0.16248661553645 0.90996562211709 0.62100531616227 58.933 > 67 71 Co 0.49581994886978 0.90996562211709 0.62100531616227 58.933 > 67 72 Co 0.82915328220311 0.90996562211709 0.62100531616227 58.933 > 67 73 Co 0.00418005113022 0.15996562211709 0.62100531616227 58.933 > 73 74 Co 0.33751338446355 0.15996562211709 0.62100531616227 58.933 > 73 75 Co 0.67084671779689 0.15996562211709 0.62100531616227 58.933 > 73 76 Co 0.00418005113022 0.65996562211709 0.62100531616227 58.933 > 73 77 Co 0.33751338446355 0.65996562211709 0.62100531616227 58.933 > 73 78 Co 0.67084671779689 0.65996562211709 0.62100531616227 58.933 > 73 79 Co 0.32915328220311 0.40996562211709 0.87899468383773 58.933 > 79 80 Co 0.66248661553645 0.40996562211709 0.87899468383773 58.933 > 79 81 Co 0.99581994886978 0.40996562211709 0.87899468383773 58.933 > 79 82 Co 0.32915328220311 0.90996562211709 0.87899468383773 58.933 > 79 83 Co 0.66248661553645 0.90996562211709 0.87899468383773 58.933 > 79 84 Co 0.99581994886978 0.90996562211709 0.87899468383773 58.933 > 79 85 Co 0.16248661553645 0.34003437788291 0.12100531616227 58.933 > 85 86 Co 0.49581994886978 0.34003437788291 0.12100531616227 58.933 > 85 87 Co 0.82915328220311 0.34003437788291 0.12100531616227 58.933 > 85 88 Co 0.16248661553645 0.84003437788291 0.12100531616227 58.933 > 85 89 Co 0.49581994886978 0.84003437788291 0.12100531616227 58.933 > 85 90 Co 0.82915328220311 0.84003437788291 0.12100531616227 58.933 > 85 91 Co 0.00418005113022 0.09003437788291 0.12100531616227 58.933 > 91 92 Co 0.33751338446355 0.09003437788291 0.12100531616227 58.933 > 91 93 Co 0.67084671779689 0.09003437788291 0.12100531616227 58.933 > 91 94 Co 0.00418005113022 0.59003437788291 0.12100531616227 58.933 > 91 95 Co 0.33751338446355 0.59003437788291 0.12100531616227 58.933 > 91 96 Co 0.67084671779689 0.59003437788291 0.12100531616227 58.933 > 91 97 Se 0.20641372228184 0.03435299187970 0.17758906121646 78.960 > 97 98 Se 0.53974705561517 0.03435299187970 0.17758906121646 78.960 > 97 99 Se 0.87308038894851 0.03435299187970 0.17758906121646 78.960 > 97 100 Se 0.20641372228184 0.53435299187970 0.17758906121646 78.960 > 97 101 Se 0.53974705561517 0.53435299187970 0.17758906121646 78.960 > 97 102 Se 0.87308038894851 0.53435299187970 0.17758906121646 78.960 > 97 103 Se 0.03974705561517 0.21564700812030 0.82241093878354 78.960 > 103 104 Se 0.37308038894851 0.21564700812030 0.82241093878354 78.960 > 103 105 Se 0.70641372228184 0.21564700812030 0.82241093878354 78.960 > 103 106 Se 0.03974705561517 0.71564700812030 0.82241093878354 78.960 > 103 107 Se 0.37308038894851 0.71564700812030 0.82241093878354 78.960 > 103 108 Se 0.70641372228184 0.71564700812030 0.82241093878354 78.960 > 103 109 Se 0.12691961105149 0.28435299187970 0.32241093878354 78.960 > 109 110 Se 0.46025294438483 0.28435299187970 0.32241093878354 78.960 > 109 111 Se 0.79358627771816 0.28435299187970 0.32241093878354 78.960 > 109 112 Se 0.12691961105149 0.78435299187970 0.32241093878354 78.960 > 109 113 Se 0.46025294438483 0.78435299187970 0.32241093878354 78.960 > 109 114 Se 0.79358627771816 0.78435299187970 0.32241093878354 78.960 > 109 115 Se 0.29358627771816 0.46564700812030 0.67758906121646 78.960 > 115 116 Se 0.62691961105149 0.46564700812030 0.67758906121646 78.960 > 115 117 Se 0.96025294438483 0.46564700812030 0.67758906121646 78.960 > 115 118 Se 0.29358627771816 0.96564700812030 0.67758906121646 78.960 > 115 119 Se 0.62691961105149 0.96564700812030 0.67758906121646 78.960 > 115 120 Se 0.96025294438483 0.96564700812030 0.67758906121646 78.960 > 115 121 Se 0.12691961105149 0.46564700812030 0.82241093878354 78.960 > 121 122 Se 0.46025294438483 0.46564700812030 0.82241093878354 78.960 > 121 123 Se 0.79358627771816 0.46564700812030 0.82241093878354 78.960 > 121 124 Se 0.12691961105149 0.96564700812030 0.82241093878354 78.960 > 121 125 Se 0.46025294438483 0.96564700812030 0.82241093878354 78.960 > 121 126 Se 0.79358627771816 0.96564700812030 0.82241093878354 78.960 > 121 127 Se 0.29358627771816 0.28435299187970 0.17758906121646 78.960 > 127 128 Se 0.62691961105149 0.28435299187970 0.17758906121646 78.960 > 127 129 Se 0.96025294438483 0.28435299187970 0.17758906121646 78.960 > 127 130 Se 0.29358627771816 0.78435299187970 0.17758906121646 78.960 > 127 131 Se 0.62691961105149 0.78435299187970 0.17758906121646 78.960 > 127 132 Se 0.96025294438483 0.78435299187970 0.17758906121646 78.960 > 127 133 Se 0.20641372228184 0.21564700812030 0.67758906121646 78.960 > 133 134 Se 0.53974705561517 0.21564700812030 0.67758906121646 78.960 > 133 135 Se 0.87308038894851 0.21564700812030 0.67758906121646 78.960 > 133 136 Se 0.20641372228184 0.71564700812030 0.67758906121646 78.960 > 133 137 Se 0.53974705561517 0.71564700812030 0.67758906121646 78.960 > 133 138 Se 0.87308038894851 0.71564700812030 0.67758906121646 78.960 > 133 139 Se 0.03974705561517 0.03435299187970 0.32241093878354 78.960 > 139 140 Se 0.37308038894851 0.03435299187970 0.32241093878354 78.960 > 139 141 Se 0.70641372228184 0.03435299187970 0.32241093878354 78.960 > 139 142 Se 0.03974705561517 0.53435299187970 0.32241093878354 78.960 > 139 143 Se 0.37308038894851 0.53435299187970 0.32241093878354 78.960 > 139 144 Se 0.70641372228184 0.53435299187970 0.32241093878354 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 22.9175779 0.0000000 0.0000000 0.0000000 21.9748599 0.0000000 0.0000000 0.0000000 22.9735195 -------------------------- Born effective charges -------------------------- 1 P 3.4842963 -0.6051553 -0.1078585 -0.1535322 3.1069372 0.1837068 -0.4208974 0.1129161 3.4061536 2 P 3.4842963 -0.6051553 0.1078585 -0.1535322 3.1069372 -0.1837068 0.4208974 -0.1129161 3.4061536 3 P 3.4842963 0.6051553 -0.1078585 0.1535322 3.1069372 -0.1837068 -0.4208974 -0.1129161 3.4061536 4 P 3.4842963 0.6051553 0.1078585 0.1535322 3.1069372 0.1837068 0.4208974 0.1129161 3.4061536 5 P 3.4842963 -0.6051553 0.1078585 -0.1535322 3.1069372 -0.1837068 0.4208974 -0.1129161 3.4061536 6 P 3.4842963 0.6051553 -0.1078585 0.1535322 3.1069372 -0.1837068 -0.4208974 -0.1129161 3.4061536 7 P 3.4842963 0.6051553 0.1078585 0.1535322 3.1069372 0.1837068 0.4208974 0.1129161 3.4061536 8 P 3.4842963 -0.6051553 -0.1078585 -0.1535322 3.1069372 0.1837068 -0.4208974 0.1129161 3.4061536 9 Co -4.7169045 -0.4512487 -0.0991254 -0.3741105 -4.2570318 0.2854963 0.0702414 0.0845691 -4.3875777 10 Co -4.7169045 0.4512487 -0.0991254 0.3741105 -4.2570318 -0.2854963 0.0702414 -0.0845691 -4.3875777 11 Co -4.7169045 0.4512487 0.0991254 0.3741105 -4.2570318 0.2854963 -0.0702414 0.0845691 -4.3875777 12 Co -4.7169045 -0.4512487 -0.0991254 -0.3741105 -4.2570318 0.2854963 0.0702414 0.0845691 -4.3875777 13 Co -4.7169045 0.4512487 0.0991254 0.3741105 -4.2570318 0.2854963 -0.0702414 0.0845691 -4.3875777 14 Co -4.7169045 -0.4512487 0.0991254 -0.3741105 -4.2570318 -0.2854963 -0.0702414 -0.0845691 -4.3875777 15 Co -4.7169045 0.4512487 -0.0991254 0.3741105 -4.2570318 -0.2854963 0.0702414 -0.0845691 -4.3875777 16 Co -4.7169045 -0.4512487 0.0991254 -0.3741105 -4.2570318 -0.2854963 -0.0702414 -0.0845691 -4.3875777 17 Se 1.2326083 0.0107926 0.0220033 0.0726315 1.1500946 -0.3156441 -0.1333369 -0.0889868 0.9814240 18 Se 1.2326083 -0.0107926 -0.0220033 -0.0726315 1.1500946 -0.3156441 0.1333369 -0.0889868 0.9814240 19 Se 1.2326083 -0.0107926 0.0220033 -0.0726315 1.1500946 0.3156441 -0.1333369 0.0889868 0.9814240 20 Se 1.2326083 0.0107926 -0.0220033 0.0726315 1.1500946 0.3156441 0.1333369 0.0889868 0.9814240 21 Se 1.2326083 0.0107926 0.0220033 0.0726315 1.1500946 -0.3156441 -0.1333369 -0.0889868 0.9814240 22 Se 1.2326083 -0.0107926 -0.0220033 -0.0726315 1.1500946 -0.3156441 0.1333369 -0.0889868 0.9814240 23 Se 1.2326083 -0.0107926 0.0220033 -0.0726315 1.1500946 0.3156441 -0.1333369 0.0889868 0.9814240 24 Se 1.2326083 0.0107926 -0.0220033 0.0726315 1.1500946 0.3156441 0.1333369 0.0889868 0.9814240 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 297, Lambda: 0.29 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 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 2.757 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.219 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.441 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.750 ( 0.000 0.000 0.000) 0.000 5.965 ( 0.000 0.000 0.000) 0.000 6.009 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.356 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 7.204 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.355 ( 0.000 0.000 0.000) 0.000 7.358 ( 0.000 0.000 0.000) 0.000 7.482 ( 0.000 0.000 0.000) 0.000 7.768 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 8.064 ( 0.000 0.000 0.000) 0.000 8.275 ( 0.000 0.000 0.000) 0.000 8.512 ( 0.000 0.000 0.000) 0.000 8.522 ( 0.000 0.000 0.000) 0.000 8.564 ( 0.000 0.000 0.000) 0.000 8.698 ( 0.000 0.000 0.000) 0.000 8.804 ( 0.000 0.000 0.000) 0.000 8.831 ( 0.000 0.000 0.000) 0.000 8.862 ( 0.000 0.000 0.000) 0.000 9.010 ( 0.000 0.000 0.000) 0.000 9.194 ( 0.000 0.000 0.000) 0.000 10.009 ( 0.000 0.000 0.000) 0.000 10.303 ( 0.000 0.000 0.000) 0.000 10.669 ( 0.000 0.000 0.000) 0.000 10.708 ( 0.000 0.000 0.000) 0.000 10.794 ( 0.000 0.000 0.000) 0.000 10.855 ( 0.000 0.000 0.000) 0.000 10.941 ( 0.000 0.000 0.000) 0.000 10.948 ( 0.000 0.000 0.000) 0.000 10.954 ( 0.000 0.000 0.000) 0.000 11.045 ( 0.000 0.000 0.000) 0.000 11.257 ( 0.000 0.000 0.000) 0.000 11.327 ( 0.000 0.000 0.000) 0.000 11.348 ( 0.000 0.000 0.000) 0.000 11.422 ( 0.000 0.000 0.000) 0.000 11.509 ( 0.000 0.000 0.000) 0.000 11.598 ( 0.000 0.000 0.000) 0.000 11.619 ( 0.000 0.000 0.000) 0.000 11.624 ( 0.000 0.000 0.000) 0.000 12.092 ( 0.000 0.000 0.000) 0.000 12.438 ( 0.000 0.000 0.000) 0.000 12.672 ( 0.000 0.000 0.000) 0.000 12.757 ( 0.000 0.000 0.000) 0.000 12.950 ( 0.000 0.000 0.000) 0.000 13.627 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 38.384 0.000 0.000) 38.384 0.800 ( 39.711 0.000 0.000) 39.711 1.496 ( 72.890 0.000 0.000) 72.890 2.865 ( 10.504 0.000 0.000) 10.504 3.217 ( 10.447 0.000 0.000) 10.447 3.381 ( 15.224 0.000 0.000) 15.224 3.533 ( 12.402 0.000 0.000) 12.402 4.251 ( 6.196 0.000 0.000) 6.196 4.346 ( 6.696 0.000 0.000) 6.696 4.781 ( -0.846 0.000 0.000) 0.846 4.881 ( 2.223 0.000 0.000) 2.223 5.202 ( 3.901 0.000 0.000) 3.901 5.229 ( -5.225 0.000 0.000) 5.225 5.242 ( -8.917 0.000 0.000) 8.917 5.326 ( 1.086 0.000 0.000) 1.086 5.536 ( 6.755 0.000 0.000) 6.755 5.658 ( 3.525 0.000 0.000) 3.525 5.719 ( -3.062 0.000 0.000) 3.062 5.883 ( -7.452 0.000 0.000) 7.452 5.960 ( -4.663 0.000 0.000) 4.663 6.254 ( -2.434 0.000 0.000) 2.434 6.297 ( 0.115 0.000 0.000) 0.115 6.336 ( -9.332 0.000 0.000) 9.332 6.469 ( 6.415 0.000 0.000) 6.415 6.717 ( -11.526 0.000 0.000) 11.526 6.847 ( -5.461 0.000 0.000) 5.461 6.889 ( -0.326 0.000 0.000) 0.326 7.193 ( -7.477 0.000 0.000) 7.477 7.245 ( -9.913 0.000 0.000) 9.913 7.280 ( 5.387 0.000 0.000) 5.387 7.392 ( 2.970 0.000 0.000) 2.970 7.565 ( 5.721 0.000 0.000) 5.721 7.611 ( -9.916 0.000 0.000) 9.916 7.646 ( -16.307 0.000 0.000) 16.307 7.988 ( 4.665 0.000 0.000) 4.665 8.013 ( 0.665 0.000 0.000) 0.665 8.142 ( 4.532 0.000 0.000) 4.532 8.185 ( 3.352 0.000 0.000) 3.352 8.445 ( 9.374 0.000 0.000) 9.374 8.523 ( -9.699 0.000 0.000) 9.699 8.541 ( 3.705 0.000 0.000) 3.705 8.579 ( 5.184 0.000 0.000) 5.184 8.632 ( -3.432 0.000 0.000) 3.432 8.633 ( -9.024 0.000 0.000) 9.024 8.770 ( 1.243 0.000 0.000) 1.243 9.045 ( 7.818 0.000 0.000) 7.818 9.066 ( 3.313 0.000 0.000) 3.313 9.173 ( -2.207 0.000 0.000) 2.207 10.061 ( 4.987 0.000 0.000) 4.987 10.327 ( 2.533 0.000 0.000) 2.533 10.675 ( -2.719 0.000 0.000) 2.719 10.794 ( -4.469 0.000 0.000) 4.469 10.800 ( 0.369 0.000 0.000) 0.369 10.839 ( -1.214 0.000 0.000) 1.214 10.966 ( 2.551 0.000 0.000) 2.551 10.989 ( 1.875 0.000 0.000) 1.875 10.999 ( 4.176 0.000 0.000) 4.176 11.069 ( 1.587 0.000 0.000) 1.587 11.252 ( -0.162 0.000 0.000) 0.162 11.335 ( 0.926 0.000 0.000) 0.926 11.364 ( 1.571 0.000 0.000) 1.571 11.433 ( 0.981 0.000 0.000) 0.981 11.544 ( 3.141 0.000 0.000) 3.141 11.610 ( 1.421 0.000 0.000) 1.421 11.622 ( 0.304 0.000 0.000) 0.304 12.167 ( 7.039 0.000 0.000) 7.039 12.269 ( 0.834 0.000 0.000) 0.834 12.645 ( -2.699 0.000 0.000) 2.699 12.739 ( -1.847 0.000 0.000) 1.847 12.944 ( -0.601 0.000 0.000) 0.601 12.978 ( -2.123 0.000 0.000) 2.123 13.542 ( -8.070 0.000 0.000) 8.070 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 37.679 0.000 0.000) 37.679 1.595 ( 39.195 0.000 0.000) 39.195 2.896 ( 63.930 0.000 0.000) 63.930 3.169 ( 20.390 0.000 0.000) 20.390 3.513 ( 18.433 0.000 0.000) 18.433 3.780 ( 23.018 0.000 0.000) 23.018 3.832 ( 15.409 0.000 0.000) 15.409 4.429 ( 11.137 0.000 0.000) 11.137 4.518 ( 8.672 0.000 0.000) 8.672 4.578 ( -14.937 0.000 0.000) 14.937 4.994 ( -13.292 0.000 0.000) 13.292 5.099 ( 14.333 0.000 0.000) 14.333 5.129 ( -4.542 0.000 0.000) 4.542 5.252 ( -1.855 0.000 0.000) 1.855 5.363 ( 1.852 0.000 0.000) 1.852 5.629 ( -5.404 0.000 0.000) 5.404 5.675 ( 6.457 0.000 0.000) 6.457 5.730 ( -4.807 0.000 0.000) 4.807 5.801 ( 10.701 0.000 0.000) 10.701 5.836 ( -7.075 0.000 0.000) 7.075 6.076 ( -15.949 0.000 0.000) 15.949 6.219 ( -2.065 0.000 0.000) 2.065 6.289 ( -0.713 0.000 0.000) 0.713 6.422 ( -17.020 0.000 0.000) 17.020 6.578 ( 4.100 0.000 0.000) 4.100 6.694 ( -9.125 0.000 0.000) 9.125 6.886 ( -0.393 0.000 0.000) 0.393 7.012 ( -12.672 0.000 0.000) 12.672 7.076 ( -2.733 0.000 0.000) 2.733 7.297 ( -5.403 0.000 0.000) 5.403 7.328 ( -14.529 0.000 0.000) 14.529 7.456 ( 2.626 0.000 0.000) 2.626 7.536 ( 4.215 0.000 0.000) 4.215 7.682 ( 5.957 0.000 0.000) 5.957 7.951 ( -10.656 0.000 0.000) 10.656 8.038 ( -0.579 0.000 0.000) 0.579 8.148 ( -3.269 0.000 0.000) 3.269 8.234 ( 2.841 0.000 0.000) 2.841 8.285 ( -6.996 0.000 0.000) 6.996 8.387 ( -14.431 0.000 0.000) 14.431 8.651 ( 9.423 0.000 0.000) 9.423 8.663 ( 7.318 0.000 0.000) 7.318 8.664 ( 3.535 0.000 0.000) 3.535 8.709 ( 7.338 0.000 0.000) 7.338 8.828 ( 3.481 0.000 0.000) 3.481 9.099 ( -0.399 0.000 0.000) 0.399 9.108 ( -4.031 0.000 0.000) 4.031 9.158 ( 3.340 0.000 0.000) 3.340 10.192 ( 7.442 0.000 0.000) 7.442 10.404 ( 4.757 0.000 0.000) 4.757 10.622 ( -2.180 0.000 0.000) 2.180 10.702 ( -4.460 0.000 0.000) 4.460 10.807 ( 0.535 0.000 0.000) 0.535 10.827 ( 0.080 0.000 0.000) 0.080 11.005 ( -0.379 0.000 0.000) 0.379 11.036 ( 4.096 0.000 0.000) 4.096 11.075 ( -1.303 0.000 0.000) 1.303 11.098 ( 5.526 0.000 0.000) 5.526 11.259 ( 0.678 0.000 0.000) 0.678 11.372 ( 2.833 0.000 0.000) 2.833 11.415 ( 3.635 0.000 0.000) 3.635 11.452 ( 0.727 0.000 0.000) 0.727 11.605 ( 2.253 0.000 0.000) 2.253 11.630 ( 0.407 0.000 0.000) 0.407 11.674 ( 5.262 0.000 0.000) 5.262 12.295 ( 1.751 0.000 0.000) 1.751 12.347 ( 9.994 0.000 0.000) 9.994 12.561 ( -5.751 0.000 0.000) 5.751 12.682 ( -3.732 0.000 0.000) 3.732 12.923 ( -3.131 0.000 0.000) 3.131 12.927 ( -1.081 0.000 0.000) 1.081 13.330 ( -12.141 0.000 0.000) 12.141 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 36.050 0.000 0.000) 36.050 2.370 ( 37.536 0.000 0.000) 37.536 3.567 ( 22.704 0.000 0.000) 22.704 3.927 ( 21.611 0.000 0.000) 21.611 3.973 ( 13.426 0.000 0.000) 13.426 4.048 ( 0.811 0.000 0.000) 0.811 4.255 ( 23.021 0.000 0.000) 23.021 4.359 ( 16.830 0.000 0.000) 16.830 4.519 ( -6.287 0.000 0.000) 6.287 4.685 ( 13.929 0.000 0.000) 13.929 4.931 ( 8.745 0.000 0.000) 8.745 5.043 ( -4.099 0.000 0.000) 4.099 5.057 ( -15.605 0.000 0.000) 15.605 5.343 ( 5.847 0.000 0.000) 5.847 5.402 ( 2.529 0.000 0.000) 2.529 5.513 ( -5.393 0.000 0.000) 5.393 5.708 ( -11.567 0.000 0.000) 11.567 5.762 ( 6.248 0.000 0.000) 6.248 5.764 ( -3.666 0.000 0.000) 3.666 5.794 ( 5.164 0.000 0.000) 5.164 5.946 ( -8.104 0.000 0.000) 8.104 6.095 ( -7.074 0.000 0.000) 7.074 6.108 ( -9.606 0.000 0.000) 9.606 6.363 ( 11.084 0.000 0.000) 11.084 6.487 ( -11.451 0.000 0.000) 11.451 6.666 ( 5.359 0.000 0.000) 5.359 6.750 ( -12.702 0.000 0.000) 12.702 6.875 ( -0.436 0.000 0.000) 0.436 7.084 ( -9.561 0.000 0.000) 9.561 7.097 ( 4.023 0.000 0.000) 4.023 7.175 ( -5.027 0.000 0.000) 5.027 7.365 ( -19.212 0.000 0.000) 19.212 7.648 ( 4.175 0.000 0.000) 4.175 7.698 ( -3.825 0.000 0.000) 3.825 7.792 ( 3.303 0.000 0.000) 3.303 7.979 ( -4.595 0.000 0.000) 4.595 8.057 ( -4.420 0.000 0.000) 4.420 8.082 ( -14.019 0.000 0.000) 14.019 8.268 ( 2.126 0.000 0.000) 2.126 8.294 ( 2.608 0.000 0.000) 2.608 8.747 ( 4.381 0.000 0.000) 4.381 8.791 ( 4.634 0.000 0.000) 4.634 8.798 ( 5.036 0.000 0.000) 5.036 8.862 ( 7.565 0.000 0.000) 7.565 8.884 ( 1.479 0.000 0.000) 1.479 9.027 ( -3.327 0.000 0.000) 3.327 9.058 ( -2.997 0.000 0.000) 2.997 9.179 ( -1.128 0.000 0.000) 1.128 10.338 ( 6.644 0.000 0.000) 6.644 10.497 ( 3.964 0.000 0.000) 3.964 10.591 ( -0.949 0.000 0.000) 0.949 10.617 ( -3.970 0.000 0.000) 3.970 10.831 ( 2.018 0.000 0.000) 2.018 10.843 ( 1.470 0.000 0.000) 1.470 10.978 ( -2.013 0.000 0.000) 2.013 11.027 ( -3.101 0.000 0.000) 3.101 11.122 ( 4.245 0.000 0.000) 4.245 11.216 ( 5.960 0.000 0.000) 5.960 11.267 ( -0.133 0.000 0.000) 0.133 11.445 ( 3.347 0.000 0.000) 3.347 11.455 ( 0.224 0.000 0.000) 0.224 11.502 ( 4.574 0.000 0.000) 4.574 11.633 ( -0.333 0.000 0.000) 0.333 11.636 ( 0.833 0.000 0.000) 0.833 11.810 ( 8.010 0.000 0.000) 8.010 12.339 ( 2.717 0.000 0.000) 2.717 12.412 ( -9.023 0.000 0.000) 9.023 12.544 ( 9.298 0.000 0.000) 9.298 12.594 ( -4.872 0.000 0.000) 4.872 12.866 ( -2.208 0.000 0.000) 2.208 12.899 ( -1.681 0.000 0.000) 1.681 13.087 ( -11.326 0.000 0.000) 11.326 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( 33.040 0.000 0.000) 33.040 3.095 ( 34.270 0.000 0.000) 34.270 3.601 ( -27.785 0.000 0.000) 27.785 3.726 ( -27.284 0.000 0.000) 27.284 4.027 ( 21.458 0.000 0.000) 21.458 4.274 ( 5.596 0.000 0.000) 5.596 4.573 ( 7.531 0.000 0.000) 7.531 4.618 ( 8.461 0.000 0.000) 8.461 4.767 ( -5.565 0.000 0.000) 5.565 4.855 ( 1.990 0.000 0.000) 1.990 4.979 ( 14.436 0.000 0.000) 14.436 5.003 ( 3.183 0.000 0.000) 3.183 5.088 ( 1.961 0.000 0.000) 1.961 5.259 ( -12.282 0.000 0.000) 12.282 5.442 ( -0.791 0.000 0.000) 0.791 5.480 ( 2.338 0.000 0.000) 2.338 5.643 ( 17.299 0.000 0.000) 17.299 5.654 ( -7.249 0.000 0.000) 7.249 5.805 ( -10.182 0.000 0.000) 10.182 5.875 ( 1.440 0.000 0.000) 1.440 5.944 ( 1.100 0.000 0.000) 1.100 5.948 ( 13.852 0.000 0.000) 13.852 6.023 ( -4.259 0.000 0.000) 4.259 6.230 ( -13.996 0.000 0.000) 13.996 6.560 ( -2.983 0.000 0.000) 2.983 6.667 ( 13.043 0.000 0.000) 13.043 6.760 ( 2.233 0.000 0.000) 2.233 6.821 ( -26.783 0.000 0.000) 26.783 6.882 ( 0.791 0.000 0.000) 0.791 6.941 ( -4.815 0.000 0.000) 4.815 7.133 ( 1.892 0.000 0.000) 1.892 7.181 ( 1.774 0.000 0.000) 1.774 7.643 ( -3.479 0.000 0.000) 3.479 7.675 ( -9.543 0.000 0.000) 9.543 7.752 ( 5.400 0.000 0.000) 5.400 7.870 ( -5.939 0.000 0.000) 5.939 7.994 ( 2.219 0.000 0.000) 2.219 8.016 ( -0.129 0.000 0.000) 0.129 8.312 ( 1.751 0.000 0.000) 1.751 8.326 ( 0.474 0.000 0.000) 0.474 8.825 ( 2.987 0.000 0.000) 2.987 8.840 ( 0.981 0.000 0.000) 0.981 8.853 ( 0.498 0.000 0.000) 0.498 8.872 ( -2.132 0.000 0.000) 2.132 8.998 ( 0.284 0.000 0.000) 0.284 9.006 ( 6.538 0.000 0.000) 6.538 9.013 ( -1.145 0.000 0.000) 1.145 9.119 ( -4.554 0.000 0.000) 4.554 10.453 ( 4.825 0.000 0.000) 4.825 10.539 ( -3.924 0.000 0.000) 3.924 10.554 ( 1.799 0.000 0.000) 1.799 10.577 ( -0.695 0.000 0.000) 0.695 10.882 ( 2.311 0.000 0.000) 2.311 10.887 ( 3.345 0.000 0.000) 3.345 10.931 ( -2.513 0.000 0.000) 2.513 10.958 ( -3.606 0.000 0.000) 3.606 11.199 ( 3.293 0.000 0.000) 3.293 11.250 ( -1.652 0.000 0.000) 1.652 11.329 ( 5.116 0.000 0.000) 5.116 11.413 ( -3.092 0.000 0.000) 3.092 11.538 ( 4.295 0.000 0.000) 4.295 11.585 ( 3.457 0.000 0.000) 3.457 11.608 ( -2.375 0.000 0.000) 2.375 11.634 ( -1.239 0.000 0.000) 1.239 11.993 ( 10.119 0.000 0.000) 10.119 12.208 ( -10.834 0.000 0.000) 10.834 12.405 ( 3.856 0.000 0.000) 3.856 12.494 ( -4.844 0.000 0.000) 4.844 12.718 ( 8.134 0.000 0.000) 8.134 12.843 ( 0.076 0.000 0.000) 0.076 12.863 ( -1.653 0.000 0.000) 1.653 12.885 ( -8.856 0.000 0.000) 8.856 ======================= Grid point 9 (6/75) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.000 35.659 0.000) 35.659 0.801 ( 0.000 39.909 0.000) 39.909 1.407 ( 0.000 69.641 0.000) 69.641 3.007 ( 0.000 23.298 0.000) 23.298 3.320 ( 0.000 9.817 0.000) 9.817 3.329 ( 0.000 20.704 0.000) 20.704 3.495 ( 0.000 9.481 0.000) 9.481 4.144 ( 0.000 -4.555 0.000) 4.555 4.434 ( 0.000 15.114 0.000) 15.114 4.646 ( 0.000 -7.824 0.000) 7.824 4.938 ( 0.000 3.769 0.000) 3.769 5.210 ( 0.000 5.132 0.000) 5.132 5.305 ( 0.000 1.312 0.000) 1.312 5.340 ( 0.000 -0.525 0.000) 0.525 5.370 ( 0.000 0.963 0.000) 0.963 5.446 ( 0.000 0.502 0.000) 0.502 5.568 ( 0.000 -5.762 0.000) 5.762 5.732 ( 0.000 -1.143 0.000) 1.143 5.948 ( 0.000 -1.536 0.000) 1.536 5.953 ( 0.000 -5.177 0.000) 5.177 6.211 ( 0.000 -11.475 0.000) 11.475 6.213 ( 0.000 -7.244 0.000) 7.244 6.325 ( 0.000 0.826 0.000) 0.826 6.384 ( 0.000 -0.529 0.000) 0.529 6.719 ( 0.000 -13.587 0.000) 13.587 6.804 ( 0.000 -2.499 0.000) 2.499 6.888 ( 0.000 -2.377 0.000) 2.377 7.260 ( 0.000 2.558 0.000) 2.558 7.261 ( 0.000 -3.160 0.000) 3.160 7.382 ( 0.000 0.783 0.000) 0.783 7.446 ( 0.000 -9.386 0.000) 9.386 7.473 ( 0.000 9.588 0.000) 9.588 7.742 ( 0.000 -2.685 0.000) 2.685 7.918 ( 0.000 0.571 0.000) 0.571 7.935 ( 0.000 -0.318 0.000) 0.318 8.006 ( 0.000 -4.043 0.000) 4.043 8.016 ( 0.000 1.633 0.000) 1.633 8.062 ( 0.000 2.422 0.000) 2.422 8.277 ( 0.000 -0.219 0.000) 0.219 8.509 ( 0.000 -0.027 0.000) 0.027 8.528 ( 0.000 0.660 0.000) 0.660 8.571 ( 0.000 0.585 0.000) 0.585 8.695 ( 0.000 -0.862 0.000) 0.862 8.813 ( 0.000 1.661 0.000) 1.661 8.824 ( 0.000 -0.559 0.000) 0.559 8.830 ( 0.000 -2.999 0.000) 2.999 9.039 ( 0.000 2.553 0.000) 2.553 9.170 ( 0.000 -2.282 0.000) 2.282 10.059 ( 0.000 4.720 0.000) 4.720 10.301 ( 0.000 0.296 0.000) 0.296 10.641 ( 0.000 -2.853 0.000) 2.853 10.709 ( 0.000 0.302 0.000) 0.302 10.762 ( 0.000 -3.279 0.000) 3.279 10.838 ( 0.000 -1.340 0.000) 1.340 10.876 ( 0.000 -3.174 0.000) 3.174 10.909 ( 0.000 -2.940 0.000) 2.940 11.084 ( 0.000 9.196 0.000) 9.196 11.160 ( 0.000 5.784 0.000) 5.784 11.271 ( 0.000 1.397 0.000) 1.397 11.351 ( 0.000 2.314 0.000) 2.314 11.493 ( 0.000 6.429 0.000) 6.429 11.513 ( 0.000 0.378 0.000) 0.378 11.589 ( 0.000 -0.763 0.000) 0.763 11.610 ( 0.000 -0.912 0.000) 0.912 11.622 ( 0.000 -0.235 0.000) 0.235 12.107 ( 0.000 1.360 0.000) 1.360 12.433 ( 0.000 -0.596 0.000) 0.596 12.443 ( 0.000 -2.411 0.000) 2.411 12.680 ( 0.000 0.944 0.000) 0.944 12.745 ( 0.000 -1.113 0.000) 1.113 12.932 ( 0.000 -1.840 0.000) 1.840 13.602 ( 0.000 -6.077 0.000) 6.077 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 28.388 24.323 0.000) 37.383 1.340 ( 30.447 34.634 0.000) 46.115 1.904 ( 50.520 41.705 0.000) 65.511 3.090 ( 8.368 21.043 0.000) 22.646 3.403 ( 7.835 17.137 0.000) 18.843 3.479 ( 14.848 9.718 0.000) 17.746 3.637 ( 12.458 10.477 0.000) 16.278 4.206 ( 6.034 -4.424 0.000) 7.482 4.491 ( 5.466 13.602 0.000) 14.659 4.731 ( 6.485 -6.219 0.000) 8.985 4.883 ( -4.378 2.065 0.000) 4.840 5.233 ( -6.956 -1.004 0.000) 7.028 5.248 ( -5.089 1.455 0.000) 5.293 5.251 ( 2.079 4.124 0.000) 4.618 5.352 ( -0.093 3.036 0.000) 3.038 5.532 ( 4.972 -1.659 0.000) 5.242 5.624 ( 5.788 -2.961 0.000) 6.502 5.705 ( -2.569 -0.536 0.000) 2.624 5.878 ( -6.021 -0.604 0.000) 6.051 5.889 ( -5.328 -6.334 0.000) 8.277 6.224 ( 0.524 -6.673 0.000) 6.694 6.230 ( -0.028 -6.101 0.000) 6.101 6.297 ( -3.798 0.277 0.000) 3.809 6.413 ( 2.984 -4.430 0.000) 5.341 6.604 ( -9.182 -9.081 0.000) 12.914 6.821 ( -1.292 -3.662 0.000) 3.883 6.855 ( -2.771 -2.761 0.000) 3.912 7.145 ( -8.880 -3.361 0.000) 9.495 7.251 ( 0.021 -1.061 0.000) 1.061 7.272 ( -8.657 0.475 0.000) 8.670 7.484 ( -1.512 5.550 0.000) 5.752 7.489 ( 4.064 -6.340 0.000) 7.531 7.623 ( -5.481 1.186 0.000) 5.608 7.688 ( -15.233 3.202 0.000) 15.566 7.989 ( 4.876 -1.906 0.000) 5.236 8.017 ( 1.127 0.461 0.000) 1.218 8.129 ( 5.792 -1.974 0.000) 6.119 8.138 ( 1.788 -1.301 0.000) 2.211 8.416 ( 9.285 -2.440 0.000) 9.601 8.521 ( 1.501 -1.096 0.000) 1.858 8.536 ( -9.991 1.175 0.000) 10.060 8.561 ( 0.710 -1.268 0.000) 1.453 8.621 ( -2.122 -1.323 0.000) 2.501 8.661 ( -3.053 1.657 0.000) 3.474 8.806 ( 1.935 3.342 0.000) 3.862 9.006 ( 6.525 -3.546 0.000) 7.426 9.084 ( 3.012 1.717 0.000) 3.467 9.162 ( -0.664 -1.107 0.000) 1.291 10.107 ( 4.649 4.385 0.000) 6.390 10.328 ( 2.675 0.487 0.000) 2.719 10.643 ( -1.382 -2.965 0.000) 3.271 10.768 ( -2.694 -3.077 0.000) 4.090 10.777 ( 4.198 -2.673 0.000) 4.976 10.785 ( 0.453 -1.001 0.000) 1.099 10.922 ( 2.528 -2.868 0.000) 3.823 10.935 ( 3.233 -2.044 0.000) 3.825 11.078 ( -0.576 7.614 0.000) 7.635 11.151 ( -0.702 4.727 0.000) 4.779 11.286 ( 1.062 2.180 0.000) 2.425 11.367 ( 1.544 2.572 0.000) 3.000 11.466 ( -1.061 2.444 0.000) 2.664 11.467 ( -5.941 5.097 0.000) 7.828 11.569 ( 3.096 2.965 0.000) 4.287 11.603 ( 2.180 -0.429 0.000) 2.222 11.615 ( 0.231 -0.707 0.000) 0.744 12.178 ( 6.485 0.890 0.000) 6.546 12.304 ( -1.012 2.442 0.000) 2.644 12.611 ( -1.516 -3.935 0.000) 4.217 12.729 ( -1.636 -0.950 0.000) 1.892 12.810 ( 7.819 -8.070 0.000) 11.236 12.927 ( -0.486 -1.701 0.000) 1.769 13.513 ( -8.070 -4.319 0.000) 9.153 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 34.261 15.395 0.000) 37.561 1.938 ( 30.894 29.505 0.000) 42.719 3.088 ( 60.356 18.621 0.000) 63.163 3.338 ( 15.902 16.540 0.000) 22.944 3.645 ( 15.783 12.272 0.000) 19.992 3.863 ( 21.949 8.167 0.000) 23.419 3.925 ( 14.502 9.258 0.000) 17.205 4.378 ( 10.749 -4.330 0.000) 11.588 4.621 ( -13.889 4.289 0.000) 14.536 4.624 ( 5.579 9.331 0.000) 10.871 5.011 ( 11.421 -6.996 0.000) 13.393 5.020 ( -10.723 1.315 0.000) 10.803 5.169 ( -1.491 2.156 0.000) 2.621 5.268 ( -3.477 1.344 0.000) 3.727 5.376 ( 1.857 2.419 0.000) 3.050 5.590 ( -2.069 -4.694 0.000) 5.130 5.652 ( -0.440 -1.756 0.000) 1.810 5.725 ( -0.585 -0.048 0.000) 0.587 5.767 ( -6.195 -5.476 0.000) 8.268 5.857 ( 10.915 5.010 0.000) 12.010 6.094 ( -11.822 1.341 0.000) 11.897 6.215 ( -1.990 -7.189 0.000) 7.459 6.255 ( -1.212 2.523 0.000) 2.799 6.376 ( -12.513 -3.419 0.000) 12.972 6.502 ( 5.034 -6.826 0.000) 8.481 6.696 ( -9.000 -0.251 0.000) 9.003 6.828 ( -1.106 -5.703 0.000) 5.810 6.962 ( -8.978 -2.028 0.000) 9.204 7.109 ( -6.069 -1.059 0.000) 6.161 7.234 ( -4.141 -5.802 0.000) 7.128 7.361 ( -14.944 4.991 0.000) 15.756 7.405 ( -1.326 -0.812 0.000) 1.555 7.603 ( 5.445 -7.268 0.000) 9.082 7.624 ( 2.453 3.887 0.000) 4.596 7.971 ( -9.442 1.926 0.000) 9.637 8.055 ( -0.904 0.626 0.000) 1.100 8.149 ( 1.349 -6.700 0.000) 6.835 8.166 ( -2.166 1.512 0.000) 2.642 8.292 ( -7.191 0.828 0.000) 7.239 8.413 ( -10.735 1.925 0.000) 10.906 8.587 ( 6.687 -5.981 0.000) 8.971 8.604 ( 5.810 -4.183 0.000) 7.159 8.666 ( 3.749 -1.342 0.000) 3.982 8.729 ( 6.474 2.822 0.000) 7.063 8.876 ( 4.126 3.146 0.000) 5.188 9.066 ( -0.725 -3.442 0.000) 3.517 9.122 ( 0.432 2.136 0.000) 2.179 9.165 ( 1.206 0.046 0.000) 1.207 10.230 ( 6.995 3.612 0.000) 7.872 10.403 ( 4.430 0.357 0.000) 4.444 10.609 ( -1.525 -1.288 0.000) 1.997 10.702 ( -2.997 -0.455 0.000) 3.031 10.810 ( 1.192 0.073 0.000) 1.194 10.825 ( 1.399 -0.056 0.000) 1.400 10.995 ( 2.451 -1.853 0.000) 3.072 11.006 ( 4.134 -4.015 0.000) 5.763 11.065 ( -0.187 4.502 0.000) 4.506 11.134 ( -0.416 2.552 0.000) 2.586 11.299 ( 0.256 2.726 0.000) 2.738 11.411 ( 2.665 2.967 0.000) 3.988 11.441 ( 2.175 1.946 0.000) 2.918 11.455 ( -0.094 0.219 0.000) 0.238 11.607 ( 1.511 -0.047 0.000) 1.512 11.623 ( 0.527 -0.714 0.000) 0.887 11.698 ( 6.241 2.921 0.000) 6.891 12.310 ( 1.100 1.270 0.000) 1.680 12.336 ( 8.415 -1.031 0.000) 8.478 12.538 ( -5.263 -2.110 0.000) 5.670 12.683 ( -2.743 0.020 0.000) 2.743 12.867 ( -0.459 -4.421 0.000) 4.445 12.912 ( -1.030 -1.519 0.000) 1.835 13.308 ( -11.543 -2.582 0.000) 11.829 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 34.336 11.078 0.000) 36.079 2.581 ( 32.506 19.789 0.000) 38.056 3.704 ( 20.102 12.756 0.000) 23.808 4.000 ( 16.953 6.737 0.000) 18.243 4.052 ( 9.005 7.842 0.000) 11.941 4.135 ( 2.869 8.667 0.000) 9.129 4.314 ( 20.329 5.722 0.000) 21.119 4.435 ( 20.502 7.720 0.000) 21.908 4.563 ( -5.822 3.623 0.000) 6.857 4.629 ( 12.872 -3.464 0.000) 13.330 4.981 ( 2.646 1.761 0.000) 3.178 5.049 ( -3.189 0.317 0.000) 3.205 5.091 ( -9.646 3.703 0.000) 10.332 5.292 ( 4.894 -4.604 0.000) 6.719 5.421 ( 3.496 2.387 0.000) 4.233 5.490 ( -5.466 -2.349 0.000) 5.949 5.630 ( -3.175 -7.557 0.000) 8.197 5.686 ( -0.347 -2.571 0.000) 2.594 5.779 ( 5.289 1.959 0.000) 5.641 5.887 ( -4.769 4.438 0.000) 6.514 5.978 ( -13.933 0.005 0.000) 13.933 6.086 ( -0.083 1.960 0.000) 1.962 6.165 ( -8.164 4.494 0.000) 9.319 6.346 ( 9.736 -1.807 0.000) 9.902 6.505 ( -7.203 2.259 0.000) 7.549 6.605 ( 4.146 -5.729 0.000) 7.072 6.794 ( -6.868 3.901 0.000) 7.899 6.811 ( -0.062 -5.942 0.000) 5.942 7.038 ( -4.869 -4.898 0.000) 6.907 7.112 ( -6.017 -6.049 0.000) 8.533 7.124 ( -4.027 3.803 0.000) 5.539 7.361 ( -12.194 -0.025 0.000) 12.194 7.583 ( -6.893 -2.037 0.000) 7.188 7.715 ( 4.956 -7.123 0.000) 8.677 7.768 ( -0.548 1.631 0.000) 1.721 7.930 ( -11.260 -2.339 0.000) 11.500 8.076 ( -5.514 2.917 0.000) 6.238 8.117 ( -6.137 -0.554 0.000) 6.162 8.277 ( 2.294 0.632 0.000) 2.379 8.289 ( 0.755 0.819 0.000) 1.114 8.686 ( 3.162 -8.734 0.000) 9.289 8.711 ( 3.510 -3.459 0.000) 4.928 8.753 ( 5.074 -3.973 0.000) 6.445 8.853 ( 5.072 1.764 0.000) 5.370 8.953 ( 3.386 2.120 0.000) 3.995 9.027 ( -1.981 -0.060 0.000) 1.981 9.104 ( -1.816 3.968 0.000) 4.364 9.175 ( -0.731 -0.467 0.000) 0.867 10.367 ( 6.247 2.790 0.000) 6.842 10.485 ( 3.233 -0.325 0.000) 3.250 10.589 ( -0.556 -0.276 0.000) 0.621 10.646 ( -2.642 1.835 0.000) 3.217 10.839 ( 1.909 0.724 0.000) 2.042 10.854 ( 1.699 1.113 0.000) 2.031 10.994 ( -1.983 1.155 0.000) 2.294 11.021 ( -2.243 -0.724 0.000) 2.357 11.111 ( 4.002 -0.189 0.000) 4.007 11.180 ( 4.165 -1.386 0.000) 4.389 11.306 ( 0.697 2.067 0.000) 2.182 11.441 ( -0.494 -0.771 0.000) 0.915 11.483 ( 3.378 2.617 0.000) 4.273 11.509 ( 3.849 0.593 0.000) 3.894 11.633 ( 0.280 0.013 0.000) 0.280 11.634 ( 0.934 -0.195 0.000) 0.954 11.840 ( 7.851 3.048 0.000) 8.421 12.334 ( 0.098 -0.711 0.000) 0.718 12.411 ( -6.147 0.141 0.000) 6.149 12.475 ( 3.794 -4.582 0.000) 5.949 12.643 ( 0.245 2.603 0.000) 2.615 12.838 ( -1.730 -2.486 0.000) 3.029 12.885 ( -1.616 -1.429 0.000) 2.157 13.077 ( -10.787 -1.188 0.000) 10.853 ======================= Grid point 13 (10/75) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( 31.683 8.406 0.000) 32.779 3.222 ( 30.218 12.314 0.000) 32.630 3.681 ( -26.305 7.804 0.000) 27.438 3.814 ( -24.845 8.485 0.000) 26.255 4.114 ( 19.355 8.304 0.000) 21.061 4.328 ( 5.044 5.170 0.000) 7.223 4.629 ( 8.119 5.227 0.000) 9.656 4.642 ( 8.195 2.580 0.000) 8.592 4.779 ( -6.646 1.460 0.000) 6.804 4.884 ( -2.245 2.568 0.000) 3.410 4.909 ( 13.207 -4.391 0.000) 13.918 5.029 ( 3.480 1.889 0.000) 3.959 5.147 ( 3.238 2.654 0.000) 4.187 5.228 ( -8.462 -2.095 0.000) 8.718 5.415 ( -0.953 -2.636 0.000) 2.803 5.488 ( -2.458 0.277 0.000) 2.474 5.662 ( 16.048 0.919 0.000) 16.075 5.699 ( -2.777 3.762 0.000) 4.676 5.803 ( 1.004 -0.701 0.000) 1.225 5.869 ( 0.027 -0.670 0.000) 0.670 5.929 ( 7.861 -0.808 0.000) 7.902 6.001 ( -1.475 5.101 0.000) 5.310 6.051 ( -3.625 3.651 0.000) 5.145 6.216 ( -13.357 -1.683 0.000) 13.463 6.602 ( -0.125 2.028 0.000) 2.031 6.680 ( 8.482 -0.513 0.000) 8.497 6.749 ( -0.187 0.270 0.000) 0.329 6.853 ( -8.311 -0.154 0.000) 8.312 6.869 ( -11.461 4.086 0.000) 12.168 6.918 ( -3.441 -2.030 0.000) 3.995 7.083 ( 2.424 -4.261 0.000) 4.902 7.166 ( 1.548 -0.400 0.000) 1.598 7.544 ( -0.888 -5.645 0.000) 5.714 7.629 ( -12.043 -3.268 0.000) 12.478 7.804 ( 1.620 -1.256 0.000) 2.049 7.811 ( 1.196 -6.375 0.000) 6.486 7.996 ( -1.452 0.962 0.000) 1.742 8.017 ( -3.203 1.915 0.000) 3.732 8.321 ( 1.522 0.341 0.000) 1.560 8.324 ( 1.251 -0.376 0.000) 1.306 8.722 ( 0.904 -8.471 0.000) 8.519 8.736 ( -0.347 -6.077 0.000) 6.087 8.853 ( 4.265 -1.709 0.000) 4.595 8.904 ( -0.312 0.102 0.000) 0.328 9.010 ( 0.293 1.482 0.000) 1.510 9.012 ( 1.554 0.816 0.000) 1.755 9.079 ( 0.724 4.578 0.000) 4.635 9.134 ( -3.117 1.092 0.000) 3.303 10.472 ( 4.086 1.853 0.000) 4.487 10.520 ( -0.166 -0.270 0.000) 0.317 10.584 ( 0.014 0.648 0.000) 0.649 10.598 ( -1.798 2.573 0.000) 3.139 10.891 ( 3.173 0.448 0.000) 3.204 10.895 ( 2.318 1.267 0.000) 2.642 10.945 ( -2.582 1.325 0.000) 2.902 10.959 ( -3.429 0.149 0.000) 3.432 11.188 ( 3.246 -0.738 0.000) 3.328 11.228 ( -0.224 -1.345 0.000) 1.363 11.346 ( 3.355 0.725 0.000) 3.432 11.410 ( -2.485 -0.702 0.000) 2.582 11.554 ( 3.171 1.748 0.000) 3.621 11.575 ( 2.007 -0.252 0.000) 2.023 11.628 ( -0.584 1.345 0.000) 1.467 11.636 ( -0.699 0.253 0.000) 0.744 12.014 ( 9.305 1.986 0.000) 9.515 12.206 ( -9.457 -0.059 0.000) 9.457 12.407 ( 2.658 -0.015 0.000) 2.658 12.466 ( -2.849 -2.590 0.000) 3.850 12.720 ( 5.839 0.108 0.000) 5.840 12.809 ( -1.582 -2.591 0.000) 3.036 12.854 ( -1.076 -0.986 0.000) 1.459 12.893 ( -6.762 0.112 0.000) 6.763 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.000 34.527 0.000) 34.527 1.577 ( 0.000 38.073 0.000) 38.073 2.739 ( 0.000 63.668 0.000) 63.668 3.579 ( 0.000 31.506 0.000) 31.506 3.588 ( 0.000 16.583 0.000) 16.583 3.747 ( 0.000 13.976 0.000) 13.976 3.841 ( 0.000 28.203 0.000) 28.203 4.008 ( 0.000 -8.102 0.000) 8.102 4.426 ( 0.000 -13.789 0.000) 13.789 4.818 ( 0.000 21.637 0.000) 21.637 5.037 ( 0.000 5.722 0.000) 5.722 5.278 ( 0.000 -6.396 0.000) 6.396 5.299 ( 0.000 -4.035 0.000) 4.035 5.339 ( 0.000 1.637 0.000) 1.637 5.376 ( 0.000 4.184 0.000) 4.184 5.463 ( 0.000 1.163 0.000) 1.163 5.483 ( 0.000 0.705 0.000) 0.705 5.740 ( 0.000 0.843 0.000) 0.843 5.835 ( 0.000 -4.427 0.000) 4.427 5.918 ( 0.000 -0.832 0.000) 0.832 5.935 ( 0.000 -15.102 0.000) 15.102 6.050 ( 0.000 -7.727 0.000) 7.727 6.336 ( 0.000 0.419 0.000) 0.419 6.351 ( 0.000 -2.979 0.000) 2.979 6.415 ( 0.000 -15.957 0.000) 15.957 6.803 ( 0.000 2.792 0.000) 2.792 6.830 ( 0.000 -3.151 0.000) 3.151 7.171 ( 0.000 -6.291 0.000) 6.291 7.241 ( 0.000 -10.494 0.000) 10.494 7.258 ( 0.000 -2.277 0.000) 2.277 7.331 ( 0.000 -6.125 0.000) 6.125 7.655 ( 0.000 -6.072 0.000) 6.072 7.667 ( 0.000 7.867 0.000) 7.867 7.855 ( 0.000 -5.588 0.000) 5.588 7.861 ( 0.000 -9.706 0.000) 9.706 7.967 ( 0.000 4.425 0.000) 4.425 8.065 ( 0.000 2.935 0.000) 2.935 8.162 ( 0.000 5.516 0.000) 5.516 8.238 ( 0.000 -4.600 0.000) 4.600 8.477 ( 0.000 -5.496 0.000) 5.496 8.549 ( 0.000 1.421 0.000) 1.421 8.602 ( 0.000 3.471 0.000) 3.471 8.661 ( 0.000 -1.804 0.000) 1.804 8.772 ( 0.000 -1.473 0.000) 1.473 8.815 ( 0.000 -0.173 0.000) 0.173 8.887 ( 0.000 5.500 0.000) 5.500 9.100 ( 0.000 3.270 0.000) 3.270 9.113 ( 0.000 -3.199 0.000) 3.199 10.175 ( 0.000 6.274 0.000) 6.274 10.328 ( 0.000 2.305 0.000) 2.305 10.563 ( 0.000 -4.647 0.000) 4.647 10.669 ( 0.000 -5.573 0.000) 5.573 10.720 ( 0.000 0.694 0.000) 0.694 10.814 ( 0.000 -0.937 0.000) 0.937 10.817 ( 0.000 -2.572 0.000) 2.572 10.851 ( 0.000 -2.699 0.000) 2.699 11.288 ( 0.000 10.522 0.000) 10.522 11.291 ( 0.000 6.967 0.000) 6.967 11.313 ( 0.000 2.754 0.000) 2.754 11.408 ( 0.000 3.023 0.000) 3.023 11.526 ( 0.000 1.073 0.000) 1.073 11.562 ( 0.000 -1.187 0.000) 1.187 11.585 ( 0.000 -1.538 0.000) 1.538 11.615 ( 0.000 -0.495 0.000) 0.495 11.653 ( 0.000 8.381 0.000) 8.381 12.136 ( 0.000 1.233 0.000) 1.233 12.380 ( 0.000 -3.693 0.000) 3.693 12.408 ( 0.000 -2.028 0.000) 2.028 12.716 ( 0.000 2.761 0.000) 2.761 12.716 ( 0.000 -1.635 0.000) 1.635 12.879 ( 0.000 -3.311 0.000) 3.311 13.441 ( 0.000 -9.628 0.000) 9.628 ======================= Grid point 19 (12/75) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 18.922 30.405 0.000) 35.811 1.974 ( 31.422 31.031 0.000) 44.162 2.932 ( 20.598 54.939 0.000) 58.674 3.603 ( 5.470 27.710 0.000) 28.245 3.759 ( 13.268 18.635 0.000) 22.876 3.781 ( 4.541 17.548 0.000) 18.126 3.958 ( 9.831 20.672 0.000) 22.890 4.076 ( 6.540 -7.310 0.000) 9.808 4.531 ( 9.891 -13.068 0.000) 16.390 4.830 ( 1.223 18.582 0.000) 18.622 4.969 ( -6.431 5.755 0.000) 8.631 5.163 ( -8.085 -5.426 0.000) 9.737 5.252 ( -2.266 -2.479 0.000) 3.359 5.355 ( -0.057 5.231 0.000) 5.232 5.460 ( 0.760 7.199 0.000) 7.239 5.468 ( 0.122 -3.070 0.000) 3.072 5.571 ( 11.881 -2.072 0.000) 12.060 5.689 ( -5.573 -5.751 0.000) 8.008 5.772 ( -2.634 -0.835 0.000) 2.763 5.841 ( -5.033 -3.520 0.000) 6.142 6.033 ( 5.717 -11.697 0.000) 13.020 6.104 ( 3.014 -2.551 0.000) 3.949 6.312 ( -2.913 -0.930 0.000) 3.058 6.352 ( 1.325 -0.402 0.000) 1.385 6.375 ( -3.699 -13.743 0.000) 14.232 6.764 ( -3.169 -1.619 0.000) 3.559 6.809 ( -2.877 -0.339 0.000) 2.896 7.059 ( -7.526 -5.695 0.000) 9.437 7.201 ( -4.780 -4.224 0.000) 6.378 7.233 ( -7.902 -3.788 0.000) 8.763 7.323 ( 4.519 -10.224 0.000) 11.179 7.540 ( -7.439 -1.595 0.000) 7.608 7.671 ( -0.331 4.249 0.000) 4.261 7.790 ( -11.993 6.248 0.000) 13.523 7.881 ( 1.327 -6.799 0.000) 6.927 7.980 ( 7.940 -7.360 0.000) 10.827 8.086 ( 1.844 0.502 0.000) 1.911 8.163 ( -0.655 1.856 0.000) 1.968 8.337 ( 5.472 -6.451 0.000) 8.459 8.489 ( 0.018 -4.775 0.000) 4.775 8.550 ( -0.972 0.836 0.000) 1.282 8.575 ( -10.550 2.763 0.000) 10.906 8.598 ( -1.123 1.138 0.000) 1.599 8.691 ( 3.331 1.392 0.000) 3.610 8.893 ( 1.166 5.275 0.000) 5.403 8.928 ( 4.518 -3.484 0.000) 5.705 9.129 ( 1.290 -2.168 0.000) 2.523 9.129 ( 2.302 2.583 0.000) 3.459 10.216 ( 3.977 5.968 0.000) 7.171 10.357 ( 2.789 2.370 0.000) 3.660 10.570 ( 0.287 -4.151 0.000) 4.161 10.678 ( 0.217 -5.264 0.000) 5.268 10.757 ( 3.402 0.122 0.000) 3.404 10.774 ( -0.032 -0.214 0.000) 0.217 10.872 ( 2.281 -2.286 0.000) 3.229 10.891 ( 3.636 -2.319 0.000) 4.313 11.253 ( -2.469 5.165 0.000) 5.724 11.255 ( -2.908 9.332 0.000) 9.775 11.346 ( 1.683 3.909 0.000) 4.256 11.422 ( 1.358 2.713 0.000) 3.034 11.500 ( -1.939 1.357 0.000) 2.366 11.517 ( -5.324 0.616 0.000) 5.360 11.575 ( 0.761 -1.339 0.000) 1.540 11.597 ( -0.139 -1.019 0.000) 1.028 11.695 ( 4.051 7.901 0.000) 8.879 12.194 ( 5.085 0.442 0.000) 5.104 12.334 ( -0.912 0.326 0.000) 0.969 12.501 ( 2.590 -6.046 0.000) 6.578 12.705 ( -1.083 -1.338 0.000) 1.721 12.746 ( 2.836 0.287 0.000) 2.851 12.878 ( -0.202 -3.120 0.000) 3.126 13.380 ( -5.870 -8.451 0.000) 10.289 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 28.119 23.799 0.000) 36.839 2.569 ( 26.201 31.144 0.000) 40.700 3.567 ( 36.152 26.550 0.000) 44.854 3.809 ( 17.652 30.739 0.000) 35.447 3.939 ( 10.795 15.586 0.000) 18.959 4.089 ( 18.735 14.060 0.000) 23.424 4.186 ( 11.487 16.114 0.000) 19.789 4.257 ( 11.412 -7.830 0.000) 13.840 4.718 ( -3.487 1.646 0.000) 3.856 4.851 ( -1.469 12.635 0.000) 12.720 4.852 ( 5.640 -5.304 0.000) 7.742 4.990 ( -7.319 -4.344 0.000) 8.511 5.202 ( -2.183 0.719 0.000) 2.298 5.316 ( -4.147 3.662 0.000) 5.533 5.462 ( -0.754 -6.975 0.000) 7.016 5.464 ( -0.510 4.992 0.000) 5.018 5.554 ( -7.053 -8.242 0.000) 10.848 5.708 ( -4.090 -0.342 0.000) 4.104 5.763 ( 2.242 4.017 0.000) 4.601 5.876 ( 11.615 -7.626 0.000) 13.895 6.078 ( -3.217 -4.941 0.000) 5.896 6.140 ( 1.898 5.111 0.000) 5.452 6.249 ( -1.864 -3.874 0.000) 4.299 6.285 ( -4.456 -6.443 0.000) 7.833 6.423 ( 5.336 2.367 0.000) 5.838 6.686 ( -5.964 -2.111 0.000) 6.327 6.713 ( -4.137 -1.343 0.000) 4.349 6.926 ( -4.514 -3.442 0.000) 5.677 7.043 ( -9.695 -2.679 0.000) 10.058 7.093 ( -6.042 -7.763 0.000) 9.837 7.412 ( 1.669 -9.876 0.000) 10.016 7.416 ( -3.822 0.250 0.000) 3.830 7.535 ( -9.879 9.629 0.000) 13.795 7.662 ( -0.904 1.078 0.000) 1.407 7.938 ( 3.382 -10.774 0.000) 11.293 8.012 ( -7.997 1.391 0.000) 8.117 8.101 ( -5.850 0.380 0.000) 5.862 8.160 ( 4.008 -3.708 0.000) 5.461 8.331 ( -7.550 2.851 0.000) 8.071 8.392 ( -0.619 -8.085 0.000) 8.109 8.506 ( -1.765 1.913 0.000) 2.603 8.521 ( 1.922 -3.486 0.000) 3.980 8.613 ( 1.443 -3.566 0.000) 3.847 8.790 ( 5.593 2.448 0.000) 6.105 8.936 ( 2.682 3.275 0.000) 4.233 8.991 ( 2.006 -3.586 0.000) 4.109 9.153 ( 0.860 -1.158 0.000) 1.442 9.170 ( 1.367 2.333 0.000) 2.704 10.321 ( 5.993 5.091 0.000) 7.863 10.429 ( 3.974 2.194 0.000) 4.539 10.572 ( 0.134 -2.295 0.000) 2.299 10.671 ( -0.429 -2.571 0.000) 2.606 10.810 ( 2.619 0.121 0.000) 2.622 10.830 ( 3.218 0.596 0.000) 3.272 10.943 ( 4.261 -2.389 0.000) 4.885 10.956 ( 2.925 -1.928 0.000) 3.503 11.189 ( -3.213 7.109 0.000) 7.802 11.201 ( -2.381 4.010 0.000) 4.664 11.351 ( -1.185 2.390 0.000) 2.668 11.454 ( -0.816 0.547 0.000) 0.983 11.468 ( 1.621 1.865 0.000) 2.471 11.473 ( 1.199 1.175 0.000) 1.679 11.599 ( 1.677 -0.582 0.000) 1.775 11.605 ( 1.013 -1.006 0.000) 1.428 11.798 ( 5.909 6.787 0.000) 8.999 12.307 ( 5.337 -1.951 0.000) 5.682 12.329 ( 0.027 0.369 0.000) 0.370 12.487 ( -3.061 -2.945 0.000) 4.247 12.681 ( -0.969 -0.189 0.000) 0.987 12.791 ( 0.854 -2.540 0.000) 2.680 12.868 ( -0.836 -2.802 0.000) 2.924 13.223 ( -9.151 -5.784 0.000) 10.825 ======================= Grid point 21 (14/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 30.543 18.829 0.000) 35.880 3.071 ( 24.577 27.515 0.000) 36.893 4.009 ( 15.719 16.384 0.000) 22.705 4.172 ( 9.319 10.159 0.000) 13.786 4.271 ( -2.201 13.199 0.000) 13.382 4.366 ( 5.333 12.154 0.000) 13.272 4.473 ( 13.109 10.104 0.000) 16.552 4.534 ( 15.244 -2.991 0.000) 15.534 4.670 ( 26.645 15.642 0.000) 30.897 4.682 ( -8.486 5.572 0.000) 10.152 4.971 ( 0.697 -2.073 0.000) 2.187 5.026 ( 2.678 -3.470 0.000) 4.383 5.172 ( -8.111 4.407 0.000) 9.231 5.195 ( 1.322 -4.036 0.000) 4.247 5.413 ( -4.309 -5.604 0.000) 7.069 5.461 ( -0.071 -8.475 0.000) 8.475 5.490 ( 3.198 3.592 0.000) 4.809 5.660 ( 2.142 -0.712 0.000) 2.258 5.807 ( -1.739 -5.781 0.000) 6.036 5.903 ( -3.973 0.252 0.000) 3.981 5.936 ( -8.213 -0.026 0.000) 8.213 6.209 ( -3.581 -2.263 0.000) 4.236 6.215 ( -1.792 6.163 0.000) 6.418 6.288 ( 2.816 -2.617 0.000) 3.844 6.513 ( 2.684 -0.093 0.000) 2.685 6.576 ( 0.026 2.574 0.000) 2.574 6.719 ( 6.935 2.000 0.000) 7.218 6.876 ( -5.765 -1.702 0.000) 6.011 6.917 ( 2.164 -0.441 0.000) 2.209 6.956 ( -6.945 -8.807 0.000) 11.216 7.252 ( -8.634 7.614 0.000) 11.512 7.375 ( -3.518 0.640 0.000) 3.576 7.557 ( 4.653 -7.010 0.000) 8.413 7.568 ( -11.795 0.177 0.000) 11.796 7.762 ( -8.163 -0.422 0.000) 8.174 7.907 ( -11.968 -0.343 0.000) 11.973 8.005 ( 1.306 -9.585 0.000) 9.674 8.161 ( -4.135 3.966 0.000) 5.729 8.282 ( 1.039 -0.179 0.000) 1.054 8.337 ( -2.845 2.243 0.000) 3.623 8.508 ( 1.202 -8.334 0.000) 8.420 8.612 ( 4.296 -6.631 0.000) 7.901 8.636 ( 2.452 -7.483 0.000) 7.875 8.876 ( 2.114 -0.508 0.000) 2.174 8.993 ( 3.018 2.775 0.000) 4.100 9.022 ( 1.363 -0.443 0.000) 1.433 9.160 ( -0.170 -0.988 0.000) 1.002 9.177 ( -0.697 2.784 0.000) 2.870 10.438 ( 5.257 4.010 0.000) 6.612 10.499 ( 2.710 1.685 0.000) 3.191 10.580 ( 0.637 -0.571 0.000) 0.856 10.664 ( -0.520 -0.073 0.000) 0.525 10.857 ( 2.139 1.055 0.000) 2.385 10.883 ( 2.285 1.686 0.000) 2.839 11.000 ( 0.285 -1.189 0.000) 1.223 11.000 ( 0.673 -0.634 0.000) 0.924 11.149 ( -0.022 3.883 0.000) 3.883 11.185 ( 1.307 1.636 0.000) 2.095 11.330 ( -0.548 0.332 0.000) 0.641 11.420 ( -1.745 -1.198 0.000) 2.116 11.522 ( 3.109 0.777 0.000) 3.205 11.533 ( 3.757 2.116 0.000) 4.312 11.633 ( 1.345 0.241 0.000) 1.366 11.636 ( 1.726 0.305 0.000) 1.753 11.926 ( 6.695 5.310 0.000) 8.545 12.313 ( -2.679 -1.158 0.000) 2.918 12.384 ( 2.134 -4.402 0.000) 4.891 12.416 ( -2.757 -0.063 0.000) 2.758 12.679 ( 1.023 1.037 0.000) 1.457 12.784 ( -1.137 -2.495 0.000) 2.742 12.845 ( -1.387 -2.516 0.000) 2.873 13.034 ( -9.042 -3.154 0.000) 9.576 ======================= Grid point 22 (15/75) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 28.801 15.253 0.000) 32.591 3.553 ( 21.276 20.084 0.000) 29.258 3.894 ( -21.995 13.153 0.000) 25.627 4.043 ( -18.945 14.016 0.000) 23.567 4.327 ( 13.745 12.208 0.000) 18.384 4.468 ( 2.497 8.572 0.000) 8.928 4.727 ( 8.094 6.030 0.000) 10.093 4.728 ( 10.032 1.783 0.000) 10.189 4.827 ( 8.556 1.399 0.000) 8.670 4.867 ( -3.471 4.150 0.000) 5.410 4.939 ( -7.790 2.465 0.000) 8.171 5.029 ( -3.587 -2.206 0.000) 4.211 5.148 ( 4.406 -2.067 0.000) 4.867 5.227 ( 0.825 1.398 0.000) 1.623 5.348 ( 0.866 -3.594 0.000) 3.697 5.496 ( -7.246 0.809 0.000) 7.291 5.599 ( 9.553 -5.888 0.000) 11.222 5.668 ( -3.118 -7.486 0.000) 8.109 5.846 ( 12.081 2.482 0.000) 12.333 5.872 ( 7.070 -4.766 0.000) 8.527 5.919 ( 1.621 3.891 0.000) 4.215 6.121 ( -2.934 5.237 0.000) 6.003 6.129 ( -11.876 -2.513 0.000) 12.139 6.177 ( -4.565 2.886 0.000) 5.401 6.566 ( 4.413 -1.445 0.000) 4.643 6.628 ( 1.855 -1.947 0.000) 2.689 6.815 ( -0.225 -5.271 0.000) 5.275 6.831 ( -3.474 -4.508 0.000) 5.691 6.883 ( -4.547 8.196 0.000) 9.373 7.022 ( -4.961 10.862 0.000) 11.941 7.072 ( 3.082 6.312 0.000) 7.025 7.230 ( 3.145 7.180 0.000) 7.839 7.460 ( -0.791 -3.166 0.000) 3.264 7.575 ( -10.931 -3.418 0.000) 11.453 7.669 ( -1.710 -4.776 0.000) 5.073 7.695 ( -1.694 -6.348 0.000) 6.570 8.017 ( 0.303 -3.017 0.000) 3.032 8.059 ( -4.333 3.036 0.000) 5.291 8.310 ( 0.896 -1.601 0.000) 1.835 8.313 ( 0.071 -0.444 0.000) 0.450 8.543 ( 2.265 -9.448 0.000) 9.716 8.594 ( -2.467 -8.206 0.000) 8.569 8.766 ( 6.512 -6.813 0.000) 9.425 8.865 ( -2.967 -4.150 0.000) 5.101 9.047 ( 1.815 2.580 0.000) 3.154 9.050 ( 1.215 2.131 0.000) 2.453 9.149 ( -0.663 0.294 0.000) 0.725 9.152 ( -1.186 2.533 0.000) 2.797 10.519 ( 2.414 2.623 0.000) 3.565 10.534 ( 0.662 1.539 0.000) 1.676 10.600 ( 1.582 0.976 0.000) 1.859 10.640 ( -1.894 1.510 0.000) 2.422 10.906 ( 2.801 1.087 0.000) 3.004 10.928 ( 2.261 1.970 0.000) 2.999 10.966 ( -2.713 0.562 0.000) 2.770 10.977 ( -2.206 1.623 0.000) 2.739 11.184 ( 2.419 0.440 0.000) 2.459 11.213 ( 0.118 -0.082 0.000) 0.144 11.339 ( 1.614 -1.464 0.000) 2.180 11.382 ( -2.182 -1.992 0.000) 2.954 11.586 ( 2.874 1.328 0.000) 3.166 11.602 ( 2.334 2.673 0.000) 3.548 11.644 ( -0.132 0.554 0.000) 0.570 11.654 ( -0.231 1.334 0.000) 1.354 12.066 ( 7.199 3.131 0.000) 7.850 12.209 ( -6.716 0.411 0.000) 6.729 12.396 ( 0.099 -1.240 0.000) 1.244 12.400 ( -0.072 -3.797 0.000) 3.798 12.719 ( 2.596 -0.181 0.000) 2.602 12.759 ( -1.259 -2.151 0.000) 2.493 12.825 ( 0.006 -1.895 0.000) 1.895 12.880 ( -5.734 -1.470 0.000) 5.920 ======================= Grid point 27 (16/75) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 0.000 32.686 0.000) 32.686 2.305 ( 0.000 35.097 0.000) 35.097 3.679 ( 0.000 -17.321 0.000) 17.321 3.809 ( 0.000 24.007 0.000) 24.007 3.951 ( 0.000 19.242 0.000) 19.242 4.099 ( 0.000 19.628 0.000) 19.628 4.156 ( 0.000 18.632 0.000) 18.632 4.273 ( 0.000 16.825 0.000) 16.825 4.348 ( 0.000 20.847 0.000) 20.847 5.105 ( 0.000 -9.355 0.000) 9.355 5.130 ( 0.000 -8.706 0.000) 8.706 5.145 ( 0.000 4.315 0.000) 4.315 5.170 ( 0.000 7.151 0.000) 7.151 5.368 ( 0.000 4.884 0.000) 4.884 5.441 ( 0.000 -6.583 0.000) 6.583 5.470 ( 0.000 3.684 0.000) 3.684 5.576 ( 0.000 5.354 0.000) 5.354 5.630 ( 0.000 -8.422 0.000) 8.422 5.701 ( 0.000 -4.215 0.000) 4.215 5.889 ( 0.000 4.188 0.000) 4.188 5.939 ( 0.000 -6.413 0.000) 6.413 5.951 ( 0.000 5.399 0.000) 5.399 6.165 ( 0.000 -4.019 0.000) 4.019 6.232 ( 0.000 -10.618 0.000) 10.618 6.381 ( 0.000 6.239 0.000) 6.239 6.766 ( 0.000 -3.718 0.000) 3.718 6.908 ( 0.000 7.374 0.000) 7.374 7.003 ( 0.000 -9.572 0.000) 9.572 7.048 ( 0.000 -8.599 0.000) 8.599 7.172 ( 0.000 -9.213 0.000) 9.213 7.235 ( 0.000 2.250 0.000) 2.250 7.507 ( 0.000 -8.277 0.000) 8.277 7.512 ( 0.000 -18.850 0.000) 18.850 7.758 ( 0.000 -3.439 0.000) 3.439 7.872 ( 0.000 5.686 0.000) 5.686 8.034 ( 0.000 -4.349 0.000) 4.349 8.115 ( 0.000 1.642 0.000) 1.642 8.122 ( 0.000 -0.368 0.000) 0.368 8.245 ( 0.000 2.480 0.000) 2.480 8.270 ( 0.000 -13.953 0.000) 13.953 8.585 ( 0.000 2.102 0.000) 2.102 8.644 ( 0.000 -0.008 0.000) 0.008 8.696 ( 0.000 5.076 0.000) 5.076 8.792 ( 0.000 3.057 0.000) 3.057 8.816 ( 0.000 0.077 0.000) 0.077 9.010 ( 0.000 6.384 0.000) 6.384 9.048 ( 0.000 -3.427 0.000) 3.427 9.157 ( 0.000 2.087 0.000) 2.087 10.285 ( 0.000 4.419 0.000) 4.419 10.380 ( 0.000 2.608 0.000) 2.608 10.471 ( 0.000 -4.343 0.000) 4.343 10.560 ( 0.000 -5.082 0.000) 5.082 10.736 ( 0.000 0.986 0.000) 0.986 10.780 ( 0.000 -1.087 0.000) 1.087 10.799 ( 0.000 -0.613 0.000) 0.613 10.806 ( 0.000 -1.709 0.000) 1.709 11.374 ( 0.000 3.219 0.000) 3.219 11.417 ( 0.000 5.079 0.000) 5.079 11.456 ( 0.000 1.692 0.000) 1.692 11.471 ( 0.000 7.036 0.000) 7.036 11.537 ( 0.000 -0.990 0.000) 0.990 11.555 ( 0.000 -1.198 0.000) 1.198 11.559 ( 0.000 2.119 0.000) 2.119 11.603 ( 0.000 -0.728 0.000) 0.728 11.822 ( 0.000 8.391 0.000) 8.391 12.143 ( 0.000 -0.835 0.000) 0.835 12.311 ( 0.000 -2.867 0.000) 2.867 12.357 ( 0.000 -2.919 0.000) 2.919 12.689 ( 0.000 -0.892 0.000) 0.892 12.790 ( 0.000 4.661 0.000) 4.661 12.806 ( 0.000 -3.886 0.000) 3.886 13.241 ( 0.000 -10.119 0.000) 10.119 ======================= Grid point 28 (17/75) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 14.074 30.709 0.000) 33.781 2.588 ( 24.885 30.528 0.000) 39.386 3.762 ( 8.091 -16.607 0.000) 18.473 3.846 ( 5.262 27.466 0.000) 27.965 4.079 ( 11.399 6.584 0.000) 13.164 4.192 ( 3.513 17.858 0.000) 18.200 4.221 ( 10.821 32.022 0.000) 33.801 4.335 ( 6.751 8.029 0.000) 10.490 4.392 ( 4.203 18.789 0.000) 19.254 4.989 ( -6.708 -5.355 0.000) 8.583 5.066 ( -3.684 0.910 0.000) 3.795 5.151 ( 0.452 -3.340 0.000) 3.370 5.222 ( -2.676 13.306 0.000) 13.572 5.415 ( -2.614 -6.562 0.000) 7.063 5.448 ( 1.908 -4.520 0.000) 4.906 5.459 ( 5.006 -0.372 0.000) 5.019 5.536 ( -6.493 -4.481 0.000) 7.889 5.572 ( -1.332 1.958 0.000) 2.368 5.736 ( -0.032 -6.080 0.000) 6.080 5.856 ( -0.454 6.234 0.000) 6.250 5.892 ( 0.700 -1.216 0.000) 1.403 6.081 ( 3.156 -10.517 0.000) 10.981 6.181 ( 4.397 5.929 0.000) 7.381 6.219 ( -1.458 -8.764 0.000) 8.885 6.429 ( 4.855 8.291 0.000) 9.608 6.729 ( -3.013 -1.861 0.000) 3.541 6.882 ( -2.904 6.942 0.000) 7.525 6.923 ( -5.813 -7.079 0.000) 9.160 7.098 ( 2.600 -11.409 0.000) 11.702 7.129 ( -7.731 -1.507 0.000) 7.876 7.142 ( -2.267 -5.820 0.000) 6.247 7.451 ( -3.288 -5.412 0.000) 6.333 7.641 ( 6.654 -12.648 0.000) 14.292 7.731 ( -1.756 -5.003 0.000) 5.302 7.863 ( 0.812 0.892 0.000) 1.206 7.952 ( -9.334 6.906 0.000) 11.611 8.108 ( 2.245 -9.931 0.000) 10.181 8.110 ( -0.621 0.724 0.000) 0.954 8.222 ( -4.218 -1.707 0.000) 4.550 8.297 ( 2.157 -12.969 0.000) 13.147 8.596 ( 1.255 3.360 0.000) 3.587 8.637 ( -8.064 3.294 0.000) 8.711 8.672 ( -4.412 4.525 0.000) 6.320 8.713 ( 5.098 0.609 0.000) 5.134 8.890 ( 3.106 -0.100 0.000) 3.107 9.008 ( -0.096 5.967 0.000) 5.967 9.079 ( 2.412 -2.885 0.000) 3.761 9.173 ( 1.398 1.458 0.000) 2.020 10.321 ( 3.490 4.249 0.000) 5.499 10.410 ( 2.794 2.622 0.000) 3.832 10.489 ( 1.567 -3.765 0.000) 4.078 10.577 ( 1.538 -4.567 0.000) 4.820 10.769 ( 3.147 0.949 0.000) 3.287 10.776 ( 0.949 0.405 0.000) 1.032 10.834 ( 2.677 -1.483 0.000) 3.060 10.848 ( 3.348 -1.843 0.000) 3.822 11.346 ( -2.425 4.140 0.000) 4.798 11.416 ( -4.394 5.927 0.000) 7.378 11.428 ( 0.164 3.518 0.000) 3.521 11.466 ( 0.682 2.018 0.000) 2.130 11.514 ( -3.417 -0.244 0.000) 3.426 11.532 ( -2.495 1.170 0.000) 2.756 11.551 ( 1.313 -0.279 0.000) 1.343 11.578 ( -0.908 -0.882 0.000) 1.265 11.861 ( 3.518 8.364 0.000) 9.073 12.185 ( 3.591 -1.499 0.000) 3.891 12.322 ( 0.593 -1.191 0.000) 1.330 12.393 ( 2.674 -4.584 0.000) 5.307 12.683 ( -0.427 -0.569 0.000) 0.711 12.789 ( -0.152 3.672 0.000) 3.675 12.808 ( 0.066 -3.789 0.000) 3.790 13.200 ( -3.932 -9.218 0.000) 10.021 ======================= Grid point 29 (18/75) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 23.078 26.570 0.000) 35.194 3.142 ( 26.815 26.819 0.000) 37.925 3.990 ( 14.055 -14.377 0.000) 20.105 4.047 ( 13.909 20.937 0.000) 25.135 4.292 ( 6.038 14.401 0.000) 15.616 4.346 ( 13.119 7.868 0.000) 15.297 4.475 ( 14.956 19.861 0.000) 24.862 4.511 ( 7.523 15.301 0.000) 17.050 4.585 ( 16.710 5.952 0.000) 17.738 4.885 ( -3.908 -5.006 0.000) 6.351 4.957 ( -6.139 10.224 0.000) 11.925 5.102 ( -8.236 12.251 0.000) 14.762 5.168 ( 0.895 -3.507 0.000) 3.620 5.343 ( -4.122 -7.777 0.000) 8.802 5.396 ( -4.346 3.167 0.000) 5.378 5.404 ( -5.776 -2.722 0.000) 6.385 5.528 ( -1.499 -1.067 0.000) 1.840 5.601 ( 3.946 -10.375 0.000) 11.100 5.674 ( -5.085 -4.307 0.000) 6.664 5.904 ( 2.214 1.791 0.000) 2.848 5.908 ( -0.291 -9.511 0.000) 9.516 6.093 ( 1.726 -6.757 0.000) 6.974 6.174 ( -2.598 -4.945 0.000) 5.586 6.334 ( 7.541 7.627 0.000) 10.726 6.552 ( 5.448 9.255 0.000) 10.739 6.672 ( -2.673 2.483 0.000) 3.649 6.804 ( -2.459 8.987 0.000) 9.317 6.816 ( -3.468 -5.172 0.000) 6.227 6.977 ( -7.183 -2.037 0.000) 7.467 7.041 ( -4.381 0.595 0.000) 4.421 7.195 ( 4.418 -10.991 0.000) 11.845 7.376 ( -3.423 -3.325 0.000) 4.772 7.689 ( -1.057 0.032 0.000) 1.058 7.719 ( 0.669 -7.552 0.000) 7.581 7.746 ( -9.719 8.571 0.000) 12.959 7.951 ( 3.399 -9.231 0.000) 9.837 8.075 ( -1.527 -1.438 0.000) 2.098 8.087 ( -8.326 -3.549 0.000) 9.051 8.169 ( 3.383 -11.694 0.000) 12.174 8.325 ( -0.217 -6.400 0.000) 6.403 8.472 ( -5.836 0.236 0.000) 5.840 8.577 ( -5.209 0.237 0.000) 5.215 8.585 ( -3.180 4.866 0.000) 5.813 8.807 ( 3.417 -0.757 0.000) 3.500 8.951 ( 3.172 0.068 0.000) 3.172 9.019 ( 1.455 4.881 0.000) 5.093 9.120 ( 1.440 -2.150 0.000) 2.587 9.201 ( 1.054 0.486 0.000) 1.161 10.412 ( 5.125 3.699 0.000) 6.321 10.479 ( 3.655 2.519 0.000) 4.439 10.526 ( 2.045 -2.143 0.000) 2.962 10.614 ( 2.000 -2.874 0.000) 3.501 10.820 ( 3.051 0.923 0.000) 3.188 10.847 ( 4.005 1.088 0.000) 4.150 10.908 ( 4.314 -1.214 0.000) 4.481 10.918 ( 3.419 -1.914 0.000) 3.918 11.283 ( -3.513 3.950 0.000) 5.286 11.318 ( -4.883 5.323 0.000) 7.224 11.384 ( -3.462 0.729 0.000) 3.537 11.455 ( -2.926 -0.355 0.000) 2.948 11.496 ( 1.320 1.476 0.000) 1.980 11.509 ( 1.852 2.118 0.000) 2.813 11.587 ( 1.883 -0.811 0.000) 2.051 11.590 ( 2.461 -0.265 0.000) 2.475 11.946 ( 4.597 7.548 0.000) 8.838 12.259 ( 3.160 -2.902 0.000) 4.291 12.326 ( -0.376 -0.428 0.000) 0.570 12.422 ( -0.182 -3.519 0.000) 3.524 12.678 ( 0.071 0.078 0.000) 0.105 12.781 ( -0.766 1.537 0.000) 1.718 12.804 ( -0.483 -3.495 0.000) 3.529 13.093 ( -6.387 -6.980 0.000) 9.462 ======================= Grid point 30 (19/75) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 26.604 22.503 0.000) 34.844 3.616 ( 20.732 26.485 0.000) 33.635 4.305 ( 16.517 -9.938 0.000) 19.276 4.324 ( 11.096 15.064 0.000) 18.709 4.406 ( 4.042 9.254 0.000) 10.098 4.521 ( -2.954 10.957 0.000) 11.348 4.693 ( 9.713 9.714 0.000) 13.737 4.703 ( 4.030 11.775 0.000) 12.446 4.789 ( -6.711 6.609 0.000) 9.419 4.817 ( 14.175 -8.374 0.000) 16.464 4.955 ( -3.594 3.183 0.000) 4.800 5.091 ( 12.094 14.878 0.000) 19.173 5.134 ( -1.046 -3.021 0.000) 3.197 5.260 ( -3.577 -8.676 0.000) 9.385 5.279 ( -6.755 5.882 0.000) 8.957 5.374 ( 4.655 2.550 0.000) 5.308 5.523 ( 0.101 -4.484 0.000) 4.485 5.597 ( -4.027 -7.418 0.000) 8.441 5.602 ( 0.397 -5.972 0.000) 5.985 5.840 ( -6.169 -9.942 0.000) 11.701 5.895 ( -1.601 -6.774 0.000) 6.961 6.142 ( 0.067 -4.778 0.000) 4.778 6.144 ( 0.129 -2.610 0.000) 2.613 6.372 ( -4.463 3.634 0.000) 5.755 6.598 ( 1.337 5.938 0.000) 6.087 6.606 ( -2.140 1.077 0.000) 2.395 6.759 ( -4.783 -2.591 0.000) 5.439 6.841 ( -4.089 0.510 0.000) 4.120 6.945 ( 14.483 16.397 0.000) 21.878 7.038 ( 3.831 6.496 0.000) 7.542 7.277 ( 4.250 -5.174 0.000) 6.696 7.344 ( 0.550 -2.378 0.000) 2.441 7.578 ( -6.142 8.799 0.000) 10.731 7.617 ( -8.743 4.307 0.000) 9.746 7.773 ( 4.293 -11.145 0.000) 11.943 7.776 ( -12.722 0.964 0.000) 12.758 7.903 ( -9.842 -1.779 0.000) 10.001 8.165 ( 4.122 -4.291 0.000) 5.950 8.241 ( 3.700 -10.897 0.000) 11.508 8.275 ( -4.660 -0.798 0.000) 4.728 8.448 ( 3.663 -9.175 0.000) 9.879 8.474 ( -7.025 4.116 0.000) 8.142 8.487 ( -3.333 -6.402 0.000) 7.218 8.826 ( -1.697 -4.202 0.000) 4.532 9.020 ( 3.649 0.671 0.000) 3.711 9.063 ( 2.515 3.878 0.000) 4.622 9.137 ( 0.428 -1.364 0.000) 1.430 9.206 ( -0.574 0.211 0.000) 0.612 10.511 ( 4.295 2.986 0.000) 5.231 10.542 ( 2.359 2.297 0.000) 3.292 10.569 ( 2.195 -0.448 0.000) 2.240 10.651 ( 1.380 -1.090 0.000) 1.759 10.881 ( 2.785 1.394 0.000) 3.115 10.917 ( 2.949 1.677 0.000) 3.393 10.980 ( 2.432 -1.257 0.000) 2.738 10.981 ( 2.074 -0.693 0.000) 2.187 11.229 ( -1.311 2.404 0.000) 2.738 11.234 ( -3.101 4.060 0.000) 5.109 11.323 ( -2.476 -0.917 0.000) 2.641 11.393 ( -2.940 -1.644 0.000) 3.368 11.545 ( 3.449 1.690 0.000) 3.841 11.571 ( 3.892 1.938 0.000) 4.348 11.641 ( 2.233 0.349 0.000) 2.260 11.641 ( 2.913 0.034 0.000) 2.913 12.039 ( 4.602 5.743 0.000) 7.359 12.298 ( -2.627 -0.239 0.000) 2.637 12.303 ( 1.325 -3.813 0.000) 4.037 12.395 ( -1.959 -2.030 0.000) 2.821 12.689 ( 1.021 0.241 0.000) 1.049 12.758 ( -1.376 0.183 0.000) 1.388 12.789 ( -0.891 -2.955 0.000) 3.087 12.957 ( -6.694 -4.414 0.000) 8.018 ======================= Grid point 31 (20/75) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.654 ( 25.766 19.075 0.000) 32.058 3.984 ( 12.236 22.513 0.000) 25.623 4.182 ( -15.720 15.189 0.000) 21.859 4.343 ( -11.386 15.404 0.000) 19.155 4.559 ( 6.897 10.013 0.000) 12.159 4.636 ( 11.802 -0.137 0.000) 11.803 4.649 ( 0.581 -0.860 0.000) 1.038 4.859 ( 2.649 5.023 0.000) 5.679 4.898 ( 5.098 4.491 0.000) 6.794 4.936 ( -5.982 -3.645 0.000) 7.005 4.977 ( 5.498 4.136 0.000) 6.880 5.018 ( 0.729 3.585 0.000) 3.659 5.158 ( -3.574 6.220 0.000) 7.173 5.204 ( -4.478 -3.150 0.000) 5.475 5.245 ( 6.128 -7.857 0.000) 9.964 5.423 ( -9.521 -11.374 0.000) 14.833 5.553 ( 0.222 -0.768 0.000) 0.799 5.567 ( 2.124 3.367 0.000) 3.981 5.717 ( 11.031 -9.993 0.000) 14.884 5.793 ( 6.150 -7.163 0.000) 9.441 5.858 ( -2.770 -11.077 0.000) 11.418 6.015 ( -11.816 -4.157 0.000) 12.525 6.185 ( 3.845 -0.261 0.000) 3.854 6.273 ( -4.295 2.518 0.000) 4.979 6.580 ( -0.077 -3.046 0.000) 3.047 6.628 ( -3.739 3.335 0.000) 5.010 6.730 ( 8.916 3.800 0.000) 9.692 6.825 ( 1.365 4.651 0.000) 4.848 7.059 ( -0.637 6.042 0.000) 6.075 7.249 ( -18.630 11.667 0.000) 21.981 7.292 ( 16.604 12.031 0.000) 20.504 7.405 ( 6.435 8.155 0.000) 10.388 7.407 ( 2.302 0.389 0.000) 2.335 7.487 ( -3.801 -0.951 0.000) 3.918 7.634 ( -4.531 -0.052 0.000) 4.532 7.684 ( -11.114 3.225 0.000) 11.572 7.898 ( 7.761 -7.388 0.000) 10.715 8.076 ( -9.234 -1.224 0.000) 9.314 8.261 ( 1.537 -3.345 0.000) 3.681 8.296 ( -0.263 -4.275 0.000) 4.283 8.367 ( -0.709 -5.125 0.000) 5.174 8.418 ( -3.377 -8.937 0.000) 9.554 8.591 ( 8.382 -10.565 0.000) 13.486 8.744 ( -6.219 -7.880 0.000) 10.038 9.087 ( 2.455 1.541 0.000) 2.899 9.101 ( 0.887 2.554 0.000) 2.703 9.147 ( 0.856 -0.392 0.000) 0.941 9.179 ( -1.918 0.329 0.000) 1.946 10.569 ( 1.294 2.240 0.000) 2.587 10.573 ( 0.726 2.194 0.000) 2.311 10.618 ( 2.589 0.672 0.000) 2.675 10.657 ( -0.935 0.178 0.000) 0.952 10.934 ( 2.577 1.699 0.000) 3.087 10.968 ( 1.793 1.816 0.000) 2.552 10.982 ( -1.246 0.931 0.000) 1.555 11.000 ( -0.528 0.542 0.000) 0.757 11.204 ( 0.143 1.517 0.000) 1.523 11.219 ( -0.612 0.552 0.000) 0.825 11.299 ( 0.664 -2.176 0.000) 2.275 11.338 ( -2.534 -2.379 0.000) 3.475 11.621 ( 3.467 2.017 0.000) 4.011 11.647 ( 3.149 1.727 0.000) 3.592 11.663 ( -0.421 1.369 0.000) 1.433 11.678 ( 0.304 0.945 0.000) 0.992 12.131 ( 4.644 3.290 0.000) 5.691 12.224 ( -4.391 1.066 0.000) 4.518 12.324 ( 1.137 -3.722 0.000) 3.892 12.355 ( -1.896 -2.733 0.000) 3.326 12.714 ( 1.213 -0.204 0.000) 1.230 12.733 ( -0.923 -0.348 0.000) 0.986 12.782 ( 0.796 -2.265 0.000) 2.401 12.839 ( -4.692 -2.524 0.000) 5.328 ======================= Grid point 36 (21/75) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 0.000 29.788 0.000) 29.788 2.964 ( 0.000 31.033 0.000) 31.033 3.251 ( 0.000 -25.057 0.000) 25.057 3.528 ( 0.000 -25.388 0.000) 25.388 4.326 ( 0.000 17.774 0.000) 17.774 4.516 ( 0.000 15.257 0.000) 15.257 4.576 ( 0.000 0.101 0.000) 0.101 4.623 ( 0.000 5.864 0.000) 5.864 4.730 ( 0.000 19.013 0.000) 19.013 5.001 ( 0.000 -3.307 0.000) 3.307 5.069 ( 0.000 -9.391 0.000) 9.391 5.079 ( 0.000 -14.029 0.000) 14.029 5.193 ( 0.000 29.236 0.000) 29.236 5.342 ( 0.000 2.778 0.000) 2.778 5.468 ( 0.000 -6.954 0.000) 6.954 5.539 ( 0.000 6.924 0.000) 6.924 5.561 ( 0.000 6.064 0.000) 6.064 5.616 ( 0.000 -1.037 0.000) 1.037 5.731 ( 0.000 -10.899 0.000) 10.899 5.751 ( 0.000 3.885 0.000) 3.885 5.861 ( 0.000 -25.507 0.000) 25.507 5.881 ( 0.000 -4.555 0.000) 4.555 6.133 ( 0.000 10.969 0.000) 10.969 6.257 ( 0.000 2.906 0.000) 2.906 6.625 ( 0.000 16.657 0.000) 16.657 6.741 ( 0.000 6.855 0.000) 6.855 6.876 ( 0.000 -2.078 0.000) 2.078 6.911 ( 0.000 -4.838 0.000) 4.838 6.948 ( 0.000 -14.065 0.000) 14.065 7.074 ( 0.000 -2.684 0.000) 2.684 7.092 ( 0.000 -10.228 0.000) 10.228 7.266 ( 0.000 -7.233 0.000) 7.233 7.479 ( 0.000 13.031 0.000) 13.031 7.739 ( 0.000 1.993 0.000) 1.993 7.813 ( 0.000 -15.296 0.000) 15.296 7.849 ( 0.000 -8.896 0.000) 8.896 8.089 ( 0.000 0.115 0.000) 0.115 8.121 ( 0.000 -1.085 0.000) 1.085 8.201 ( 0.000 4.152 0.000) 4.152 8.257 ( 0.000 -1.219 0.000) 1.219 8.625 ( 0.000 1.675 0.000) 1.675 8.645 ( 0.000 -0.315 0.000) 0.315 8.775 ( 0.000 2.728 0.000) 2.728 8.810 ( 0.000 -0.895 0.000) 0.895 8.878 ( 0.000 5.081 0.000) 5.081 8.973 ( 0.000 -4.250 0.000) 4.250 9.121 ( 0.000 4.309 0.000) 4.309 9.172 ( 0.000 -0.794 0.000) 0.794 10.349 ( 0.000 2.440 0.000) 2.440 10.399 ( 0.000 -2.896 0.000) 2.896 10.426 ( 0.000 2.150 0.000) 2.150 10.477 ( 0.000 -3.244 0.000) 3.244 10.758 ( 0.000 1.158 0.000) 1.158 10.774 ( 0.000 0.389 0.000) 0.389 10.780 ( 0.000 -1.093 0.000) 1.093 10.787 ( 0.000 -0.694 0.000) 0.694 11.432 ( 0.000 2.503 0.000) 2.503 11.465 ( 0.000 -0.331 0.000) 0.331 11.482 ( 0.000 1.098 0.000) 1.098 11.504 ( 0.000 -1.082 0.000) 1.082 11.556 ( 0.000 1.418 0.000) 1.418 11.578 ( 0.000 2.599 0.000) 2.599 11.585 ( 0.000 -1.139 0.000) 1.139 11.593 ( 0.000 0.846 0.000) 0.846 11.978 ( 0.000 7.134 0.000) 7.134 12.094 ( 0.000 -4.231 0.000) 4.231 12.279 ( 0.000 -0.160 0.000) 0.160 12.302 ( 0.000 -2.256 0.000) 2.256 12.690 ( 0.000 1.156 0.000) 1.156 12.734 ( 0.000 -3.129 0.000) 3.129 12.901 ( 0.000 6.577 0.000) 6.577 13.052 ( 0.000 -8.643 0.000) 8.643 ======================= Grid point 37 (22/75) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 11.333 28.624 0.000) 30.786 3.173 ( 19.227 28.079 0.000) 34.031 3.349 ( 9.519 -24.241 0.000) 26.043 3.688 ( 15.059 -23.251 0.000) 27.701 4.350 ( 2.718 17.564 0.000) 17.773 4.522 ( 0.783 13.496 0.000) 13.519 4.591 ( 1.573 -0.089 0.000) 1.576 4.646 ( 1.998 3.966 0.000) 4.441 4.770 ( 3.720 14.833 0.000) 15.292 4.926 ( -3.542 3.304 0.000) 4.844 5.075 ( -0.378 -12.383 0.000) 12.389 5.149 ( 3.988 -14.777 0.000) 15.306 5.248 ( 5.048 28.457 0.000) 28.901 5.315 ( -2.614 3.525 0.000) 4.389 5.442 ( -2.458 -5.671 0.000) 6.181 5.491 ( -4.829 9.032 0.000) 10.242 5.547 ( -1.452 3.390 0.000) 3.688 5.595 ( -0.603 1.372 0.000) 1.498 5.726 ( -3.119 5.213 0.000) 6.074 5.753 ( 0.664 -11.842 0.000) 11.860 5.812 ( -3.377 -11.134 0.000) 11.635 5.911 ( 2.100 -19.578 0.000) 19.690 6.133 ( 0.405 10.588 0.000) 10.595 6.288 ( 2.501 -1.475 0.000) 2.903 6.681 ( 4.836 15.326 0.000) 16.071 6.767 ( 2.727 10.176 0.000) 10.535 6.835 ( -3.386 -0.821 0.000) 3.484 6.911 ( 0.347 -6.645 0.000) 6.654 6.976 ( 2.685 -11.304 0.000) 11.619 7.046 ( -3.690 -9.689 0.000) 10.368 7.059 ( -1.610 8.582 0.000) 8.732 7.304 ( 2.502 -14.594 0.000) 14.807 7.505 ( 2.940 10.977 0.000) 11.364 7.707 ( -2.766 3.123 0.000) 4.171 7.799 ( -1.437 -12.545 0.000) 12.627 7.854 ( 0.122 -10.925 0.000) 10.925 8.090 ( -0.241 -1.221 0.000) 1.245 8.101 ( -7.901 5.499 0.000) 9.626 8.116 ( 0.638 -2.441 0.000) 2.523 8.186 ( -6.249 -2.871 0.000) 6.877 8.664 ( 2.855 3.034 0.000) 4.166 8.698 ( -7.256 2.541 0.000) 7.688 8.707 ( 4.321 -1.248 0.000) 4.498 8.725 ( -6.212 0.317 0.000) 6.221 8.930 ( 3.184 3.790 0.000) 4.950 9.012 ( 2.916 -3.929 0.000) 4.893 9.115 ( -0.398 4.495 0.000) 4.513 9.175 ( 0.317 -1.407 0.000) 1.442 10.383 ( 3.154 2.247 0.000) 3.873 10.427 ( 2.575 -2.489 0.000) 3.581 10.455 ( 2.747 2.077 0.000) 3.444 10.503 ( 2.413 -2.932 0.000) 3.797 10.791 ( 3.110 1.123 0.000) 3.307 10.791 ( 1.863 1.123 0.000) 2.175 10.811 ( 2.960 -0.966 0.000) 3.113 10.817 ( 2.601 -1.407 0.000) 2.957 11.414 ( -2.017 2.695 0.000) 3.366 11.452 ( -2.025 -0.922 0.000) 2.225 11.473 ( -1.758 1.354 0.000) 2.219 11.495 ( -1.361 -0.578 0.000) 1.479 11.533 ( -1.413 1.749 0.000) 2.248 11.549 ( -1.508 2.049 0.000) 2.544 11.560 ( -1.320 -1.008 0.000) 1.661 11.569 ( -1.350 0.367 0.000) 1.399 12.015 ( 3.151 6.938 0.000) 7.620 12.128 ( 2.921 -4.318 0.000) 5.213 12.304 ( 1.678 -0.196 0.000) 1.690 12.324 ( 1.978 -2.278 0.000) 3.017 12.690 ( 0.003 1.339 0.000) 1.339 12.736 ( 0.142 -3.179 0.000) 3.182 12.886 ( -1.480 6.042 0.000) 6.220 13.026 ( -2.513 -8.031 0.000) 8.415 ======================= Grid point 38 (23/75) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 19.433 25.838 0.000) 32.330 3.618 ( 16.629 -22.101 0.000) 27.658 3.644 ( 25.092 23.792 0.000) 34.578 4.078 ( 22.072 -19.174 0.000) 29.238 4.446 ( 6.804 15.080 0.000) 16.544 4.551 ( 2.116 10.448 0.000) 10.660 4.642 ( 3.334 0.307 0.000) 3.348 4.688 ( 1.835 -1.867 0.000) 2.618 4.864 ( 5.165 7.630 0.000) 9.214 4.902 ( 1.453 11.352 0.000) 11.444 5.065 ( -0.260 -7.797 0.000) 7.801 5.193 ( 0.130 -14.024 0.000) 14.024 5.226 ( -5.660 2.481 0.000) 6.180 5.318 ( -3.483 3.177 0.000) 4.715 5.370 ( -6.400 9.469 0.000) 11.429 5.442 ( 6.650 18.160 0.000) 19.339 5.500 ( -3.277 0.139 0.000) 3.280 5.589 ( -0.579 2.034 0.000) 2.114 5.623 ( -6.321 3.358 0.000) 7.158 5.733 ( -2.495 -11.971 0.000) 12.228 5.735 ( -4.282 -7.767 0.000) 8.869 5.959 ( 2.383 -17.970 0.000) 18.127 6.153 ( 1.205 8.157 0.000) 8.246 6.328 ( 0.813 -7.471 0.000) 7.515 6.727 ( -1.632 6.826 0.000) 7.018 6.803 ( -2.115 9.503 0.000) 9.735 6.805 ( 0.954 2.402 0.000) 2.585 6.952 ( -5.554 -3.247 0.000) 6.434 6.975 ( 7.424 -4.418 0.000) 8.639 7.040 ( 3.056 -5.320 0.000) 6.135 7.069 ( 5.724 15.449 0.000) 16.476 7.337 ( 1.142 -4.911 0.000) 5.042 7.604 ( 5.943 -1.334 0.000) 6.091 7.650 ( -2.186 3.802 0.000) 4.386 7.769 ( -0.847 -10.086 0.000) 10.122 7.845 ( -1.080 -12.743 0.000) 12.789 7.937 ( -7.818 6.632 0.000) 10.252 8.057 ( -5.302 -4.544 0.000) 6.983 8.075 ( -0.950 1.748 0.000) 1.989 8.159 ( 2.604 -6.965 0.000) 7.436 8.518 ( -9.812 3.080 0.000) 10.284 8.569 ( -9.046 -1.660 0.000) 9.197 8.684 ( -1.722 4.778 0.000) 5.079 8.766 ( 0.642 -3.268 0.000) 3.331 8.992 ( 2.993 3.523 0.000) 4.623 9.065 ( 2.194 -3.415 0.000) 4.059 9.115 ( 0.590 4.439 0.000) 4.478 9.183 ( 0.436 -2.259 0.000) 2.300 10.464 ( 4.516 1.684 0.000) 4.820 10.491 ( 3.598 -1.391 0.000) 3.858 10.523 ( 3.575 1.969 0.000) 4.081 10.563 ( 3.322 -2.216 0.000) 3.993 10.846 ( 3.317 1.621 0.000) 3.692 10.870 ( 4.269 1.125 0.000) 4.415 10.881 ( 3.538 -1.829 0.000) 3.983 10.889 ( 4.387 -0.831 0.000) 4.465 11.347 ( -4.247 2.392 0.000) 4.874 11.380 ( -4.282 -0.994 0.000) 4.396 11.396 ( -4.856 2.741 0.000) 5.576 11.437 ( -4.111 -1.497 0.000) 4.375 11.533 ( 1.480 2.045 0.000) 2.524 11.553 ( 1.883 2.123 0.000) 2.838 11.568 ( 2.098 -1.291 0.000) 2.463 11.583 ( 2.186 -0.799 0.000) 2.327 12.084 ( 3.386 6.207 0.000) 7.071 12.188 ( 2.666 -4.294 0.000) 5.054 12.325 ( 0.199 0.627 0.000) 0.658 12.357 ( 0.722 -2.624 0.000) 2.722 12.692 ( 0.208 1.440 0.000) 1.455 12.737 ( -0.081 -3.035 0.000) 3.036 12.845 ( -2.494 4.670 0.000) 5.294 12.957 ( -4.177 -6.441 0.000) 7.677 ======================= Grid point 39 (24/75) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.573 ( 23.159 22.580 0.000) 32.345 3.994 ( 20.045 -19.228 0.000) 27.776 4.106 ( 19.855 22.666 0.000) 30.132 4.508 ( 18.313 -17.209 0.000) 25.130 4.590 ( 6.056 10.663 0.000) 12.263 4.602 ( 2.615 8.282 0.000) 8.685 4.688 ( -1.076 2.106 0.000) 2.365 4.717 ( 1.142 -3.360 0.000) 3.549 4.944 ( 2.759 8.488 0.000) 8.925 4.968 ( 3.668 9.983 0.000) 10.636 5.087 ( -4.345 -6.625 0.000) 7.923 5.101 ( -0.384 1.757 0.000) 1.798 5.132 ( -5.367 4.663 0.000) 7.110 5.215 ( -2.350 -2.655 0.000) 3.545 5.279 ( -2.589 -1.711 0.000) 3.104 5.417 ( -4.628 -0.772 0.000) 4.691 5.487 ( -4.477 -1.313 0.000) 4.666 5.557 ( -2.646 -0.980 0.000) 2.821 5.593 ( -0.319 -4.278 0.000) 4.290 5.668 ( -3.620 -11.598 0.000) 12.150 5.677 ( 3.643 13.097 0.000) 13.594 6.001 ( 2.043 -12.975 0.000) 13.134 6.149 ( -2.723 5.036 0.000) 5.725 6.301 ( -3.928 -8.551 0.000) 9.410 6.698 ( -5.467 8.148 0.000) 9.812 6.729 ( 2.727 7.702 0.000) 8.170 6.801 ( -1.307 2.538 0.000) 2.855 6.844 ( -4.009 -4.400 0.000) 5.952 7.083 ( 1.520 -0.020 0.000) 1.520 7.178 ( 11.436 -6.356 0.000) 13.083 7.280 ( 12.431 14.792 0.000) 19.322 7.381 ( 3.975 4.722 0.000) 6.172 7.638 ( 0.366 3.625 0.000) 3.643 7.667 ( -0.478 0.228 0.000) 0.529 7.745 ( -5.321 -5.438 0.000) 7.609 7.795 ( -5.628 -1.819 0.000) 5.914 7.816 ( -1.355 3.606 0.000) 3.852 8.016 ( 1.674 -10.745 0.000) 10.875 8.075 ( 2.999 -0.456 0.000) 3.033 8.180 ( -1.688 -8.424 0.000) 8.592 8.348 ( -5.766 0.252 0.000) 5.771 8.393 ( -7.084 -3.530 0.000) 7.915 8.586 ( -7.669 6.596 0.000) 10.116 8.719 ( -5.257 -6.372 0.000) 8.261 9.053 ( 3.107 2.380 0.000) 3.914 9.102 ( 1.593 -2.262 0.000) 2.767 9.136 ( 1.096 3.264 0.000) 3.443 9.188 ( -0.127 -1.909 0.000) 1.914 10.551 ( 3.815 1.110 0.000) 3.973 10.563 ( 3.337 -0.276 0.000) 3.348 10.585 ( 2.393 2.072 0.000) 3.165 10.623 ( 2.316 -1.700 0.000) 2.873 10.913 ( 3.196 1.862 0.000) 3.699 10.948 ( 3.246 1.325 0.000) 3.506 10.950 ( 3.115 -1.725 0.000) 3.561 10.968 ( 2.955 -0.730 0.000) 3.043 11.270 ( -2.917 1.705 0.000) 3.379 11.300 ( -3.397 -1.323 0.000) 3.646 11.303 ( -4.055 2.936 0.000) 5.007 11.354 ( -3.819 -2.252 0.000) 4.434 11.588 ( 3.717 2.433 0.000) 4.443 11.611 ( 3.536 1.917 0.000) 4.022 11.629 ( 3.487 -1.395 0.000) 3.756 11.639 ( 2.989 -0.748 0.000) 3.081 12.145 ( 2.599 4.793 0.000) 5.452 12.229 ( 1.430 -3.810 0.000) 4.069 12.307 ( -2.014 1.218 0.000) 2.354 12.346 ( -1.773 -2.557 0.000) 3.112 12.699 ( 0.608 1.014 0.000) 1.182 12.734 ( -0.127 -2.403 0.000) 2.406 12.791 ( -2.639 3.016 0.000) 4.007 12.867 ( -4.480 -4.401 0.000) 6.279 ======================= Grid point 40 (25/75) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.040 ( 22.595 19.258 0.000) 29.688 4.394 ( 18.712 -15.725 0.000) 24.442 4.418 ( 0.784 20.225 0.000) 20.240 4.474 ( -4.059 13.789 0.000) 14.374 4.620 ( -2.880 11.129 0.000) 11.495 4.652 ( -3.556 -3.195 0.000) 4.781 4.733 ( 0.787 0.051 0.000) 0.788 4.775 ( 0.293 -12.511 0.000) 12.514 4.906 ( -0.703 1.919 0.000) 2.044 4.944 ( -3.652 4.072 0.000) 5.470 5.010 ( 0.421 -7.957 0.000) 7.968 5.094 ( -2.098 -3.617 0.000) 4.182 5.200 ( 9.739 10.094 0.000) 14.026 5.232 ( -0.206 4.481 0.000) 4.486 5.259 ( 0.586 5.975 0.000) 6.003 5.341 ( -3.378 8.184 0.000) 8.854 5.474 ( 4.037 -10.985 0.000) 11.703 5.487 ( -3.425 -7.056 0.000) 7.844 5.503 ( -4.283 -10.692 0.000) 11.518 5.586 ( -4.889 -13.017 0.000) 13.905 5.832 ( 8.877 10.449 0.000) 13.711 6.022 ( -9.170 4.986 0.000) 10.438 6.059 ( 4.206 -10.786 0.000) 11.577 6.179 ( -7.137 -9.185 0.000) 11.632 6.653 ( 1.180 8.546 0.000) 8.627 6.716 ( -3.969 6.915 0.000) 7.973 6.819 ( 1.052 -6.228 0.000) 6.316 6.831 ( 1.753 -1.461 0.000) 2.281 7.174 ( 10.413 10.612 0.000) 14.868 7.414 ( 11.662 -8.744 0.000) 14.576 7.456 ( 5.907 8.487 0.000) 10.340 7.477 ( -16.372 10.477 0.000) 19.437 7.538 ( 8.875 3.884 0.000) 9.687 7.582 ( -5.698 7.016 0.000) 9.039 7.620 ( -6.299 -3.099 0.000) 7.020 7.692 ( -5.619 -3.008 0.000) 6.373 7.883 ( 7.810 7.983 0.000) 11.167 8.059 ( -8.490 1.636 0.000) 8.646 8.100 ( 5.432 -11.812 0.000) 13.001 8.160 ( 1.706 -6.636 0.000) 6.852 8.297 ( -0.697 -1.596 0.000) 1.741 8.378 ( 7.587 -9.249 0.000) 11.963 8.405 ( -9.161 5.990 0.000) 10.946 8.567 ( -9.342 -9.370 0.000) 13.232 9.113 ( 2.630 1.229 0.000) 2.903 9.135 ( 1.780 -0.863 0.000) 1.978 9.144 ( -0.439 1.801 0.000) 1.853 9.172 ( -1.546 -0.951 0.000) 1.815 10.605 ( 1.552 1.396 0.000) 2.088 10.615 ( 0.534 1.992 0.000) 2.063 10.622 ( 2.326 -0.309 0.000) 2.346 10.647 ( -0.032 -1.121 0.000) 1.121 10.969 ( 2.248 1.721 0.000) 2.831 10.995 ( 0.866 0.786 0.000) 1.170 10.997 ( 1.270 -0.876 0.000) 1.543 10.997 ( 0.330 0.468 0.000) 0.573 11.234 ( -0.898 0.950 0.000) 1.307 11.241 ( -1.840 2.175 0.000) 2.849 11.260 ( -0.099 -1.707 0.000) 1.710 11.289 ( -2.558 -2.498 0.000) 3.576 11.661 ( 2.811 1.821 0.000) 3.349 11.675 ( 2.144 1.046 0.000) 2.386 11.683 ( 0.969 0.343 0.000) 1.028 11.685 ( 1.486 -0.449 0.000) 1.552 12.194 ( 2.568 3.063 0.000) 3.997 12.252 ( -3.069 1.833 0.000) 3.574 12.256 ( 1.549 -3.196 0.000) 3.551 12.298 ( -2.559 -2.750 0.000) 3.756 12.717 ( 1.105 0.602 0.000) 1.259 12.741 ( 1.132 -1.744 0.000) 2.079 12.745 ( -1.830 1.472 0.000) 2.348 12.787 ( -3.326 -2.536 0.000) 4.182 ======================= Grid point 81 (26/75) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 0.000 0.000 35.190) 35.190 0.713 ( 0.000 0.000 39.185) 39.185 1.273 ( 0.000 0.000 68.857) 68.857 2.411 ( 0.000 0.000 -26.451) 26.451 2.717 ( 0.000 0.000 -33.474) 33.474 3.407 ( 0.000 0.000 20.628) 20.628 3.830 ( 0.000 0.000 25.488) 25.488 4.214 ( 0.000 0.000 -6.813) 6.813 4.248 ( 0.000 0.000 6.073) 6.073 4.616 ( 0.000 0.000 -47.820) 47.820 4.781 ( 0.000 0.000 6.041) 6.041 4.965 ( 0.000 0.000 6.994) 6.994 5.097 ( 0.000 0.000 -6.160) 6.160 5.315 ( 0.000 0.000 -12.524) 12.524 5.356 ( 0.000 0.000 -8.542) 8.542 5.390 ( 0.000 0.000 2.978) 2.978 5.553 ( 0.000 0.000 -6.635) 6.635 5.871 ( 0.000 0.000 -8.698) 8.698 5.897 ( 0.000 0.000 7.114) 7.114 6.005 ( 0.000 0.000 -0.437) 0.437 6.390 ( 0.000 0.000 9.363) 9.363 6.423 ( 0.000 0.000 5.693) 5.693 6.436 ( 0.000 0.000 5.689) 5.689 6.485 ( 0.000 0.000 16.436) 16.436 6.869 ( 0.000 0.000 -1.429) 1.429 6.896 ( 0.000 0.000 -4.246) 4.246 6.905 ( 0.000 0.000 5.864) 5.864 7.202 ( 0.000 0.000 -7.708) 7.708 7.245 ( 0.000 0.000 5.147) 5.147 7.298 ( 0.000 0.000 0.293) 0.293 7.488 ( 0.000 0.000 4.389) 4.389 7.521 ( 0.000 0.000 4.232) 4.232 7.797 ( 0.000 0.000 3.076) 3.076 7.856 ( 0.000 0.000 -4.283) 4.283 7.895 ( 0.000 0.000 -1.561) 1.561 8.017 ( 0.000 0.000 -10.855) 10.855 8.024 ( 0.000 0.000 -1.726) 1.726 8.045 ( 0.000 0.000 -7.134) 7.134 8.271 ( 0.000 0.000 0.143) 0.143 8.469 ( 0.000 0.000 -4.316) 4.316 8.604 ( 0.000 0.000 3.684) 3.684 8.636 ( 0.000 0.000 8.786) 8.786 8.705 ( 0.000 0.000 0.466) 0.466 8.813 ( 0.000 0.000 0.865) 0.865 8.857 ( 0.000 0.000 -0.466) 0.466 8.876 ( 0.000 0.000 4.570) 4.570 8.980 ( 0.000 0.000 -3.170) 3.170 9.168 ( 0.000 0.000 -2.864) 2.864 10.036 ( 0.000 0.000 2.907) 2.907 10.273 ( 0.000 0.000 -3.171) 3.171 10.679 ( 0.000 0.000 1.070) 1.070 10.714 ( 0.000 0.000 0.597) 0.597 10.791 ( 0.000 0.000 -0.215) 0.215 10.844 ( 0.000 0.000 -1.133) 1.133 10.932 ( 0.000 0.000 -0.668) 0.668 10.939 ( 0.000 0.000 -0.729) 0.729 11.005 ( 0.000 0.000 1.924) 1.924 11.059 ( 0.000 0.000 1.109) 1.109 11.263 ( 0.000 0.000 0.600) 0.600 11.318 ( 0.000 0.000 -0.909) 0.909 11.354 ( 0.000 0.000 0.795) 0.795 11.471 ( 0.000 0.000 -1.760) 1.760 11.530 ( 0.000 0.000 2.060) 2.060 11.599 ( 0.000 0.000 0.122) 0.122 11.616 ( 0.000 0.000 -0.312) 0.312 11.621 ( 0.000 0.000 -0.465) 0.465 12.115 ( 0.000 0.000 2.566) 2.566 12.397 ( 0.000 0.000 -4.313) 4.313 12.683 ( 0.000 0.000 1.167) 1.167 12.753 ( 0.000 0.000 -0.522) 0.522 13.660 ( 0.000 0.000 3.468) 3.468 13.918 ( 0.000 0.000 -3.065) 3.065 ======================= Grid point 82 (27/75) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 30.963 0.000 22.010) 37.989 1.254 ( 29.594 0.000 34.656) 45.572 1.827 ( 54.061 0.000 37.832) 65.984 2.536 ( 12.208 0.000 -25.113) 27.923 2.926 ( 19.100 0.000 -29.636) 35.258 3.499 ( 9.123 0.000 20.090) 22.064 3.931 ( 9.487 0.000 23.083) 24.957 4.287 ( 7.008 0.000 -6.428) 9.510 4.295 ( 4.731 0.000 4.569) 6.577 4.696 ( 7.874 0.000 -44.499) 45.191 4.847 ( 1.098 0.000 6.892) 6.979 4.934 ( 1.221 0.000 5.863) 5.988 5.150 ( 4.661 0.000 -5.114) 6.919 5.172 ( -7.019 0.000 -10.674) 12.775 5.299 ( -8.694 0.000 3.051) 9.213 5.482 ( 2.775 0.000 -7.721) 8.205 5.590 ( 6.454 0.000 -8.152) 10.398 5.795 ( -7.466 0.000 -8.741) 11.495 5.855 ( -4.250 0.000 6.586) 7.838 5.957 ( -4.516 0.000 -0.336) 4.528 6.326 ( -3.727 0.000 6.333) 7.348 6.369 ( -7.014 0.000 4.265) 8.209 6.441 ( -0.772 0.000 10.584) 10.612 6.549 ( 4.536 0.000 9.674) 10.684 6.780 ( -11.078 0.000 6.302) 12.745 6.807 ( -6.593 0.000 -4.747) 8.124 6.880 ( 0.014 0.000 -0.954) 0.954 7.137 ( -6.902 0.000 -7.773) 10.395 7.195 ( -5.123 0.000 2.067) 5.524 7.341 ( 3.837 0.000 5.384) 6.611 7.462 ( -1.833 0.000 2.510) 3.108 7.572 ( 2.152 0.000 2.222) 3.093 7.635 ( -14.537 0.000 0.024) 14.537 7.652 ( -6.033 0.000 3.289) 6.871 7.926 ( 1.884 0.000 -7.021) 7.269 7.980 ( 1.758 0.000 -5.455) 5.732 8.136 ( 4.819 0.000 -0.653) 4.863 8.149 ( 4.583 0.000 -2.408) 5.177 8.405 ( 9.179 0.000 -2.972) 9.648 8.498 ( 2.599 0.000 -3.981) 4.755 8.521 ( -10.705 0.000 1.708) 10.840 8.649 ( -8.318 0.000 0.874) 8.363 8.651 ( 2.763 0.000 3.801) 4.699 8.720 ( -1.631 0.000 9.127) 9.272 8.758 ( 1.286 0.000 -1.250) 1.794 9.049 ( 7.499 0.000 0.369) 7.508 9.058 ( 4.356 0.000 -0.985) 4.466 9.145 ( -2.316 0.000 -2.971) 3.767 10.082 ( 4.712 0.000 2.376) 5.277 10.299 ( 2.715 0.000 -2.973) 4.027 10.681 ( -2.753 0.000 0.640) 2.827 10.755 ( -0.636 0.000 -3.305) 3.366 10.796 ( 0.273 0.000 -0.371) 0.461 10.815 ( -0.812 0.000 -1.015) 1.300 10.965 ( 3.044 0.000 -0.031) 3.044 10.987 ( 4.267 0.000 -0.813) 4.344 11.013 ( 0.875 0.000 1.865) 2.060 11.076 ( 0.996 0.000 0.433) 1.086 11.267 ( 0.540 0.000 1.465) 1.561 11.329 ( 1.209 0.000 -0.560) 1.332 11.365 ( 1.154 0.000 0.253) 1.181 11.435 ( -0.088 0.000 -0.182) 0.202 11.570 ( 3.322 0.000 2.712) 4.288 11.611 ( 1.621 0.000 0.068) 1.622 11.618 ( 0.306 0.000 -0.453) 0.547 11.978 ( 15.771 0.000 -19.335) 24.951 12.188 ( 6.824 0.000 2.322) 7.208 12.480 ( 7.224 0.000 -8.764) 11.357 12.658 ( -2.493 0.000 1.374) 2.847 12.746 ( -0.606 0.000 -0.890) 1.077 13.571 ( -8.412 0.000 2.982) 8.925 13.571 ( -20.969 0.000 16.042) 26.401 ======================= Grid point 83 (28/75) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 36.395 0.000 13.188) 38.710 1.851 ( 30.961 0.000 29.411) 42.704 2.873 ( 21.875 0.000 -21.008) 30.329 3.049 ( 60.047 0.000 14.943) 61.878 3.387 ( 24.379 0.000 -23.839) 34.098 3.762 ( 16.541 0.000 18.139) 24.548 4.175 ( 13.446 0.000 17.734) 22.255 4.426 ( 6.641 0.000 1.100) 6.731 4.472 ( 10.222 0.000 -5.009) 11.383 4.683 ( -10.926 0.000 9.655) 14.581 4.894 ( 7.445 0.000 -27.386) 28.380 5.023 ( -9.079 0.000 -3.165) 9.615 5.121 ( -3.179 0.000 -9.531) 10.048 5.126 ( 10.269 0.000 0.665) 10.290 5.226 ( 1.235 0.000 -0.328) 1.278 5.512 ( 3.041 0.000 -11.545) 11.939 5.641 ( -4.092 0.000 -8.057) 9.036 5.732 ( -7.151 0.000 5.836) 9.230 5.767 ( 8.774 0.000 -5.000) 10.099 5.838 ( -6.709 0.000 0.005) 6.709 6.144 ( -14.569 0.000 6.348) 15.892 6.257 ( -3.237 0.000 2.656) 4.187 6.383 ( -5.461 0.000 4.413) 7.021 6.495 ( -16.587 0.000 6.978) 17.995 6.645 ( -9.081 0.000 -5.196) 10.463 6.648 ( 5.386 0.000 8.048) 9.684 6.877 ( -0.365 0.000 -0.929) 0.998 6.941 ( -11.783 0.000 -6.812) 13.611 7.113 ( -2.547 0.000 4.458) 5.135 7.290 ( -13.277 0.000 -3.197) 13.656 7.311 ( -5.514 0.000 1.982) 5.859 7.516 ( 0.543 0.000 4.767) 4.798 7.608 ( 5.444 0.000 7.435) 9.215 7.699 ( 5.367 0.000 1.586) 5.596 7.911 ( -4.804 0.000 -5.145) 7.039 8.020 ( -1.716 0.000 -1.894) 2.556 8.149 ( -2.954 0.000 0.148) 2.958 8.210 ( 1.389 0.000 -2.086) 2.506 8.263 ( -7.348 0.000 -1.538) 7.507 8.361 ( -13.818 0.000 -2.624) 14.065 8.596 ( 7.775 0.000 -2.423) 8.143 8.657 ( 6.901 0.000 -0.944) 6.966 8.722 ( 4.460 0.000 3.208) 5.493 8.775 ( 5.231 0.000 6.154) 8.077 8.816 ( 3.355 0.000 -1.133) 3.541 9.081 ( -3.629 0.000 -2.788) 4.577 9.108 ( 0.367 0.000 0.893) 0.966 9.156 ( 3.048 0.000 -0.269) 3.060 10.208 ( 7.247 0.000 1.795) 7.466 10.380 ( 4.991 0.000 -2.490) 5.578 10.626 ( -2.335 0.000 0.493) 2.386 10.691 ( -3.989 0.000 -1.180) 4.160 10.802 ( 0.579 0.000 -0.395) 0.701 10.816 ( 0.486 0.000 -0.900) 1.023 11.014 ( -0.750 0.000 0.910) 1.179 11.037 ( 3.144 0.000 0.125) 3.146 11.077 ( -0.301 0.000 0.212) 0.369 11.091 ( 5.562 0.000 -0.647) 5.600 11.284 ( 0.881 0.000 2.554) 2.702 11.372 ( 3.068 0.000 0.038) 3.068 11.409 ( 3.328 0.000 -0.651) 3.392 11.443 ( 0.404 0.000 -1.090) 1.162 11.613 ( 1.268 0.000 0.414) 1.334 11.626 ( 0.419 0.000 -0.455) 0.618 11.699 ( 6.419 0.000 3.112) 7.134 12.163 ( 5.440 0.000 -12.358) 13.502 12.358 ( 9.118 0.000 1.406) 9.226 12.583 ( -4.883 0.000 2.237) 5.371 12.590 ( 1.840 0.000 -7.397) 7.622 12.742 ( 0.858 0.000 -3.594) 3.695 13.237 ( -12.774 0.000 13.540) 18.615 13.352 ( -12.429 0.000 2.178) 12.618 ======================= Grid point 84 (29/75) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 36.214 0.000 9.282) 37.384 2.491 ( 32.140 0.000 20.990) 38.387 3.350 ( 25.354 0.000 -17.947) 31.063 3.835 ( 17.989 0.000 -18.442) 25.763 4.032 ( 19.651 0.000 9.173) 21.686 4.120 ( 9.987 0.000 12.475) 15.981 4.321 ( -6.466 0.000 4.287) 7.758 4.424 ( 17.671 0.000 6.963) 18.993 4.621 ( 7.235 0.000 7.824) 10.657 4.723 ( 12.384 0.000 3.910) 12.986 4.908 ( 1.037 0.000 -6.571) 6.653 4.917 ( 1.379 0.000 -7.919) 8.039 4.995 ( -14.949 0.000 -5.814) 16.040 5.241 ( 8.665 0.000 -14.828) 17.174 5.367 ( 4.384 0.000 2.171) 4.892 5.570 ( -7.252 0.000 3.324) 7.977 5.679 ( 11.846 0.000 -13.219) 17.750 5.696 ( 3.924 0.000 -1.976) 4.394 5.749 ( 0.773 0.000 0.882) 1.172 5.837 ( -10.973 0.000 6.202) 12.604 5.886 ( -0.726 0.000 -0.081) 0.731 6.128 ( -18.363 0.000 4.778) 18.974 6.187 ( -4.595 0.000 2.103) 5.053 6.304 ( 2.797 0.000 -2.800) 3.958 6.446 ( -10.829 0.000 -4.400) 11.689 6.693 ( -12.006 0.000 -5.957) 13.402 6.758 ( 4.952 0.000 5.908) 7.709 6.868 ( -0.375 0.000 -0.739) 0.829 7.054 ( -9.869 0.000 -2.456) 10.171 7.061 ( -3.381 0.000 -2.447) 4.174 7.255 ( 0.460 0.000 7.714) 7.727 7.405 ( -18.838 0.000 3.502) 19.161 7.702 ( 1.831 0.000 5.075) 5.395 7.729 ( -3.126 0.000 2.968) 4.311 7.800 ( 2.457 0.000 0.746) 2.567 7.962 ( -3.124 0.000 -2.121) 3.776 8.029 ( -7.019 0.000 -0.993) 7.089 8.121 ( -7.344 0.000 2.668) 7.813 8.222 ( 2.336 0.000 -4.245) 4.845 8.280 ( 2.069 0.000 -1.950) 2.843 8.718 ( 5.039 0.000 -1.766) 5.340 8.780 ( 4.316 0.000 -1.404) 4.538 8.817 ( 3.858 0.000 1.085) 4.008 8.867 ( 1.276 0.000 -1.445) 1.928 8.893 ( 6.174 0.000 2.994) 6.862 9.018 ( -2.000 0.000 -0.883) 2.187 9.080 ( -2.702 0.000 2.001) 3.362 9.173 ( -1.221 0.000 -0.704) 1.409 10.350 ( 6.423 0.000 1.314) 6.556 10.478 ( 4.208 0.000 -1.973) 4.648 10.591 ( -1.228 0.000 0.023) 1.228 10.613 ( -3.664 0.000 -0.433) 3.690 10.827 ( 2.040 0.000 -0.310) 2.063 10.837 ( 1.641 0.000 -0.516) 1.720 10.982 ( -2.217 0.000 0.392) 2.251 11.018 ( -2.922 0.000 -0.786) 3.026 11.138 ( 4.281 0.000 1.496) 4.535 11.208 ( 5.858 0.000 -0.797) 5.912 11.291 ( -0.262 0.000 2.517) 2.530 11.439 ( -0.531 0.000 -1.210) 1.321 11.451 ( 4.064 0.000 0.098) 4.065 11.491 ( 4.491 0.000 -1.012) 4.604 11.629 ( -0.266 0.000 -0.394) 0.475 11.632 ( 0.512 0.000 -0.451) 0.682 11.846 ( 8.111 0.000 3.914) 9.007 12.256 ( 4.392 0.000 -8.146) 9.254 12.417 ( -7.075 0.000 0.746) 7.114 12.557 ( -4.005 0.000 -3.194) 5.123 12.574 ( 7.483 0.000 2.945) 8.041 12.777 ( 2.121 0.000 -4.095) 4.611 13.032 ( -7.993 0.000 7.412) 10.901 13.105 ( -11.485 0.000 1.710) 11.612 ======================= Grid point 85 (30/75) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( 30.609 0.000 15.008) 34.090 3.161 ( 33.440 0.000 7.093) 34.184 3.700 ( -24.537 0.000 9.794) 26.419 3.771 ( -25.105 0.000 4.564) 25.517 3.874 ( 23.259 0.000 -12.349) 26.334 4.274 ( -9.253 0.000 -3.636) 9.941 4.335 ( 14.161 0.000 -17.412) 22.443 4.616 ( -11.190 0.000 -9.317) 14.561 4.772 ( 6.994 0.000 3.649) 7.888 4.934 ( 3.346 0.000 5.610) 6.532 4.970 ( 11.160 0.000 -1.001) 11.205 5.007 ( 12.221 0.000 3.161) 12.623 5.092 ( 3.345 0.000 0.391) 3.367 5.285 ( -12.162 0.000 2.877) 12.498 5.418 ( 9.014 0.000 -8.124) 12.134 5.468 ( 0.050 0.000 2.547) 2.548 5.688 ( 13.682 0.000 4.691) 14.464 5.708 ( -10.918 0.000 6.155) 12.534 5.773 ( -14.065 0.000 -4.582) 14.792 5.847 ( 4.364 0.000 -2.977) 5.283 5.920 ( 8.309 0.000 0.539) 8.326 5.965 ( 10.936 0.000 1.535) 11.043 6.072 ( -6.508 0.000 2.999) 7.165 6.208 ( -12.702 0.000 -2.440) 12.934 6.526 ( -0.664 0.000 -3.258) 3.325 6.570 ( 17.859 0.000 -7.220) 19.263 6.800 ( -3.007 0.000 1.923) 3.569 6.813 ( -21.989 0.000 -0.649) 21.998 6.876 ( 1.513 0.000 -0.497) 1.592 6.963 ( -10.866 0.000 2.395) 11.126 7.028 ( 2.638 0.000 -7.096) 7.570 7.196 ( -9.584 0.000 -2.261) 9.847 7.671 ( 0.989 0.000 5.490) 5.579 7.763 ( -4.816 0.000 5.829) 7.561 7.780 ( 4.869 0.000 2.644) 5.541 7.881 ( -4.803 0.000 0.905) 4.888 8.017 ( 2.215 0.000 2.671) 3.470 8.044 ( -1.113 0.000 2.910) 3.115 8.273 ( 2.231 0.000 -4.034) 4.610 8.299 ( -0.222 0.000 -3.059) 3.067 8.808 ( 3.710 0.000 -1.346) 3.947 8.826 ( 1.285 0.000 -1.385) 1.889 8.853 ( -0.382 0.000 -0.180) 0.423 8.861 ( -1.712 0.000 -0.900) 1.934 9.009 ( 0.708 0.000 0.940) 1.177 9.015 ( 5.684 0.000 0.810) 5.741 9.031 ( -1.596 0.000 1.834) 2.431 9.116 ( -4.179 0.000 -0.465) 4.204 10.460 ( 4.570 0.000 0.789) 4.638 10.541 ( 2.119 0.000 -1.360) 2.517 10.541 ( -3.641 0.000 0.202) 3.647 10.570 ( -1.032 0.000 -0.650) 1.220 10.880 ( 2.447 0.000 -0.226) 2.457 10.883 ( 3.267 0.000 -0.387) 3.290 10.932 ( -2.655 0.000 0.055) 2.656 10.952 ( -3.496 0.000 -0.586) 3.545 11.218 ( 3.439 0.000 1.831) 3.897 11.271 ( -1.810 0.000 2.191) 2.842 11.319 ( 4.985 0.000 -1.080) 5.101 11.401 ( -3.012 0.000 -1.335) 3.295 11.540 ( 4.166 0.000 0.143) 4.169 11.575 ( 3.516 0.000 -1.025) 3.663 11.606 ( -2.227 0.000 -0.173) 2.234 11.625 ( -1.381 0.000 -0.836) 1.614 12.026 ( 9.757 0.000 3.524) 10.374 12.231 ( -10.242 0.000 2.514) 10.546 12.350 ( 5.038 0.000 -5.514) 7.469 12.458 ( -5.473 0.000 -3.616) 6.559 12.734 ( 7.925 0.000 1.666) 8.098 12.826 ( 2.968 0.000 -0.896) 3.100 12.900 ( -8.921 0.000 1.503) 9.046 12.904 ( -4.950 0.000 2.696) 5.636 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.000 29.877 26.157) 39.709 1.217 ( 0.000 29.659 33.344) 44.626 1.735 ( 0.000 49.415 39.177) 63.061 2.691 ( 0.000 25.860 -23.666) 35.054 2.836 ( 0.000 11.639 -32.088) 34.134 3.605 ( 0.000 18.845 19.457) 27.088 3.912 ( 0.000 7.948 24.513) 25.770 4.209 ( 0.000 -4.023 6.807) 7.907 4.375 ( 0.000 15.297 -6.527) 16.631 4.659 ( 0.000 0.698 -30.019) 30.027 4.725 ( 0.000 -1.888 -9.761) 9.942 4.999 ( 0.000 3.198 6.354) 7.114 5.147 ( 0.000 5.055 -6.534) 8.261 5.291 ( 0.000 -2.894 -13.400) 13.709 5.310 ( 0.000 -5.110 -10.350) 11.542 5.411 ( 0.000 1.988 2.886) 3.504 5.520 ( 0.000 -2.836 -4.873) 5.638 5.864 ( 0.000 -0.761 -7.662) 7.700 5.886 ( 0.000 -1.345 6.064) 6.211 5.958 ( 0.000 -4.343 0.532) 4.376 6.299 ( 0.000 -10.127 6.828) 12.214 6.305 ( 0.000 -7.826 8.871) 11.830 6.410 ( 0.000 -3.720 2.216) 4.330 6.484 ( 0.000 -0.307 13.560) 13.564 6.737 ( 0.000 -10.945 2.340) 11.192 6.855 ( 0.000 -2.388 5.408) 5.911 6.875 ( 0.000 -1.742 -1.361) 2.211 7.226 ( 0.000 -1.121 -4.739) 4.870 7.246 ( 0.000 -1.948 0.238) 1.963 7.345 ( 0.000 4.785 0.548) 4.817 7.488 ( 0.000 -4.345 4.793) 6.470 7.551 ( 0.000 5.537 4.452) 7.105 7.739 ( 0.000 -4.771 -1.324) 4.951 7.877 ( 0.000 -0.844 -4.730) 4.805 7.880 ( 0.000 -0.739 -3.505) 3.582 7.978 ( 0.000 -5.065 -2.737) 5.757 7.993 ( 0.000 1.361 -5.886) 6.041 8.033 ( 0.000 1.127 -2.546) 2.784 8.284 ( 0.000 0.937 1.200) 1.523 8.477 ( 0.000 0.781 -3.315) 3.405 8.610 ( 0.000 0.511 3.580) 3.617 8.612 ( 0.000 -0.762 8.441) 8.475 8.701 ( 0.000 -0.918 0.440) 1.018 8.810 ( 0.000 -0.287 -0.158) 0.328 8.830 ( 0.000 -1.682 -0.071) 1.684 8.867 ( 0.000 -0.423 4.373) 4.393 9.005 ( 0.000 2.077 -3.633) 4.185 9.147 ( 0.000 -1.846 -2.567) 3.162 10.082 ( 0.000 4.443 2.504) 5.100 10.281 ( 0.000 0.946 -2.296) 2.483 10.651 ( 0.000 -2.857 1.053) 3.045 10.711 ( 0.000 -0.383 0.070) 0.389 10.764 ( 0.000 -2.559 0.347) 2.583 10.829 ( 0.000 -1.176 -0.940) 1.505 10.873 ( 0.000 -3.337 -0.226) 3.345 10.894 ( 0.000 -2.912 -1.065) 3.100 11.092 ( 0.000 8.249 0.856) 8.293 11.154 ( 0.000 6.004 -0.525) 6.027 11.277 ( 0.000 1.493 0.716) 1.655 11.342 ( 0.000 2.310 -0.959) 2.501 11.490 ( 0.000 7.474 0.064) 7.474 11.531 ( 0.000 0.144 1.847) 1.853 11.592 ( 0.000 -0.563 0.287) 0.632 11.603 ( 0.000 -0.445 -0.842) 0.953 11.618 ( 0.000 -0.248 -0.485) 0.544 11.842 ( 0.000 21.644 -22.602) 31.294 12.129 ( 0.000 1.305 2.495) 2.816 12.396 ( 0.000 -0.193 -3.937) 3.942 12.687 ( 0.000 0.505 0.785) 0.933 12.742 ( 0.000 -0.978 -0.403) 1.058 13.477 ( 0.000 -19.821 17.766) 26.618 13.644 ( 0.000 -10.163 4.292) 11.032 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 21.095 20.671 30.568) 42.505 1.495 ( 27.292 29.850 16.692) 43.755 2.169 ( 42.910 34.876 29.911) 62.868 2.781 ( 9.531 22.346 -23.390) 33.724 3.044 ( 18.228 11.777 -28.210) 35.591 3.676 ( 7.152 16.635 19.004) 26.249 4.015 ( 9.541 8.259 22.130) 25.475 4.252 ( 4.326 -3.842 4.731) 7.473 4.436 ( 5.890 13.605 -5.826) 15.929 4.743 ( 8.023 2.370 -31.467) 32.560 4.811 ( 6.885 -2.316 -3.508) 8.067 4.944 ( -4.339 2.288 5.643) 7.477 5.143 ( -6.415 -2.930 -10.876) 12.962 5.193 ( 3.931 4.329 -5.763) 8.210 5.330 ( -7.546 2.914 2.872) 8.584 5.457 ( 3.327 -2.804 -8.189) 9.273 5.545 ( 5.634 -4.268 -7.851) 10.564 5.778 ( -6.694 -1.618 -4.522) 8.239 5.855 ( -4.523 -0.240 1.936) 4.926 5.909 ( -4.354 -4.086 0.949) 6.046 6.236 ( -3.352 -8.413 5.164) 10.425 6.333 ( -2.267 -4.375 5.608) 7.466 6.396 ( -0.490 -4.664 4.672) 6.620 6.500 ( 1.063 -3.810 9.368) 10.169 6.646 ( -7.089 -7.051 5.559) 11.440 6.831 ( -4.822 -0.663 -0.784) 4.930 6.855 ( -0.887 -3.171 2.187) 3.953 7.123 ( -8.125 -2.005 -2.958) 8.876 7.194 ( -4.416 -0.525 -0.958) 4.549 7.340 ( -1.739 0.020 4.408) 4.739 7.491 ( -0.027 -1.963 2.608) 3.264 7.549 ( -1.126 0.896 3.450) 3.738 7.628 ( -4.937 -0.740 -0.294) 5.001 7.663 ( -12.985 1.816 -1.602) 13.209 7.946 ( 2.212 0.948 -5.357) 5.873 7.968 ( 3.963 -1.363 -5.254) 6.721 8.099 ( 4.088 -2.794 -1.878) 5.296 8.120 ( 4.342 -1.989 -2.007) 5.181 8.395 ( 7.808 -0.665 -1.326) 7.948 8.498 ( 1.591 0.167 -2.602) 3.055 8.531 ( -9.711 0.828 1.827) 9.916 8.625 ( -6.605 -1.868 2.639) 7.354 8.652 ( 0.761 -0.868 2.787) 3.017 8.715 ( 0.366 0.326 6.290) 6.309 8.791 ( 1.411 2.969 -1.393) 3.570 9.007 ( 5.404 -3.467 -0.088) 6.421 9.071 ( 4.323 1.142 -1.179) 4.625 9.142 ( -0.265 -0.461 -2.173) 2.237 10.127 ( 4.419 4.264 2.173) 6.514 10.308 ( 2.751 1.129 -2.169) 3.680 10.651 ( -1.413 -2.808 0.836) 3.253 10.737 ( -0.101 -1.784 -2.140) 2.788 10.781 ( 1.392 -1.601 -0.075) 2.123 10.789 ( -0.156 -1.565 0.074) 1.575 10.919 ( 3.597 -3.243 -0.035) 4.844 10.936 ( 3.322 -2.276 0.017) 4.026 11.086 ( -0.586 6.929 0.871) 7.008 11.146 ( -0.740 4.778 -0.555) 4.867 11.293 ( 1.245 2.030 0.802) 2.513 11.358 ( 1.656 2.451 -0.875) 3.085 11.446 ( -2.801 4.289 -0.676) 5.167 11.480 ( -3.842 3.287 0.122) 5.058 11.591 ( 1.370 1.208 1.546) 2.393 11.607 ( 2.499 0.125 0.468) 2.545 11.615 ( 2.132 0.766 0.738) 2.383 12.063 ( 9.942 6.717 -18.735) 22.247 12.198 ( 6.353 0.922 2.169) 6.776 12.463 ( 5.228 -1.709 -6.869) 8.799 12.673 ( -1.234 1.354 0.206) 1.844 12.735 ( -0.528 -0.961 -0.704) 1.303 13.360 ( -9.722 -13.999 17.666) 24.548 13.540 ( -8.777 -5.613 2.762) 10.779 ======================= Grid point 92 (33/75) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 29.349 14.853 21.811) 39.468 2.061 ( 29.374 24.850 15.129) 41.343 3.066 ( 18.310 17.524 -20.713) 32.732 3.227 ( 55.774 18.312 15.356) 60.678 3.475 ( 22.775 8.697 -23.130) 33.606 3.891 ( 13.964 12.209 17.050) 25.194 4.255 ( 12.897 7.790 17.260) 22.911 4.379 ( 7.451 -3.679 0.922) 8.361 4.583 ( 6.737 9.432 -4.207) 12.331 4.722 ( -10.540 3.837 9.337) 14.595 4.924 ( 4.981 1.871 -19.929) 20.627 5.002 ( -3.006 -3.570 -5.313) 7.072 5.100 ( 9.229 0.049 -3.270) 9.791 5.179 ( -1.766 4.389 -3.130) 5.672 5.245 ( -1.781 2.677 -5.121) 6.047 5.487 ( 3.402 -1.991 -10.118) 10.859 5.654 ( -3.718 -1.031 -4.597) 6.002 5.700 ( 4.422 -5.322 -1.352) 7.050 5.727 ( -5.573 0.828 -1.980) 5.972 5.814 ( -2.605 -1.935 -0.915) 3.372 6.121 ( -9.372 -3.833 3.078) 10.583 6.238 ( -4.887 -1.637 3.800) 6.403 6.367 ( -3.869 -2.809 2.609) 5.447 6.407 ( -10.849 -6.269 2.740) 12.826 6.581 ( 0.156 -3.019 7.074) 7.693 6.695 ( -6.718 1.689 0.907) 6.986 6.823 ( -1.951 -5.304 -0.175) 5.654 6.942 ( -9.122 0.639 -3.087) 9.652 7.111 ( -3.196 -2.441 2.993) 5.013 7.247 ( -8.075 -3.239 0.209) 8.703 7.352 ( -12.660 4.441 -0.129) 13.418 7.458 ( 0.408 -2.595 5.360) 5.970 7.618 ( 4.133 -6.606 1.428) 7.922 7.653 ( 3.149 0.955 2.368) 4.054 7.942 ( -3.797 2.795 -3.819) 6.067 8.031 ( -2.864 0.172 -2.035) 3.518 8.137 ( 0.786 -5.750 -0.947) 5.880 8.162 ( -0.082 -0.202 -0.844) 0.872 8.276 ( -8.391 1.992 -0.896) 8.670 8.388 ( -10.981 2.156 -2.465) 11.459 8.555 ( 6.405 -3.750 -1.608) 7.594 8.618 ( 5.817 -3.993 0.161) 7.058 8.696 ( 2.390 -1.931 3.144) 4.396 8.783 ( 4.809 1.543 4.397) 6.696 8.859 ( 4.283 2.567 -1.375) 5.180 9.046 ( -0.983 -3.046 -2.267) 3.922 9.127 ( 0.962 1.781 0.573) 2.104 9.161 ( 1.816 0.137 -0.337) 1.852 10.245 ( 6.797 3.532 1.676) 7.841 10.387 ( 4.652 0.921 -1.778) 5.065 10.615 ( -1.665 -1.150 0.663) 2.129 10.691 ( -2.749 -0.370 -1.199) 3.022 10.807 ( 1.199 0.224 -0.305) 1.257 10.817 ( 1.493 0.137 -0.710) 1.659 10.999 ( 2.529 -1.997 0.428) 3.251 11.010 ( 3.925 -3.785 0.308) 5.461 11.072 ( -0.222 4.221 0.737) 4.291 11.130 ( -0.112 2.709 -0.477) 2.753 11.312 ( 0.387 2.055 1.449) 2.544 11.408 ( 3.100 2.649 -0.426) 4.099 11.430 ( 1.190 1.442 -0.823) 2.043 11.451 ( 0.135 0.963 -0.551) 1.118 11.609 ( 1.043 -0.373 0.123) 1.114 11.619 ( 0.598 -0.598 -0.340) 0.912 11.730 ( 6.696 3.316 3.587) 8.288 12.191 ( 4.294 2.473 -11.355) 12.389 12.350 ( 7.757 -0.820 1.351) 7.917 12.509 ( -1.893 -3.967 -2.684) 5.150 12.649 ( -1.192 2.513 -1.645) 3.231 12.738 ( 1.213 -0.414 -3.296) 3.537 13.159 ( -9.371 -6.534 12.457) 16.902 13.327 ( -11.782 -3.065 1.773) 12.303 ======================= Grid point 93 (34/75) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 31.381 9.950 16.342) 36.754 2.675 ( 31.253 18.418 11.272) 37.987 3.488 ( 22.853 13.017 -17.357) 31.511 3.887 ( 17.093 5.153 -17.996) 25.349 4.131 ( 8.613 8.619 8.494) 14.853 4.200 ( 13.908 8.362 11.606) 19.951 4.379 ( -6.754 5.779 4.255) 9.855 4.471 ( 19.233 4.254 4.587) 20.225 4.658 ( 8.380 1.237 4.315) 9.507 4.704 ( 10.129 2.589 9.694) 14.257 4.897 ( -6.057 -1.458 -10.285) 12.025 4.972 ( 2.612 3.608 -5.227) 6.868 5.051 ( -7.277 4.694 -3.944) 9.515 5.285 ( 6.997 4.115 -11.162) 13.802 5.318 ( 4.133 -4.291 1.636) 6.178 5.535 ( -7.122 -3.369 2.357) 8.224 5.633 ( 6.057 -2.100 -4.037) 7.576 5.689 ( 4.070 -5.119 1.749) 6.769 5.764 ( 6.004 3.040 -3.696) 7.678 5.836 ( -3.204 4.201 -3.073) 6.112 5.948 ( -3.604 2.327 -0.038) 4.290 6.087 ( -13.310 -4.529 3.311) 14.444 6.201 ( -4.973 1.579 0.810) 5.281 6.307 ( 1.153 0.206 -2.520) 2.779 6.461 ( -8.448 1.012 -2.520) 8.873 6.650 ( -2.900 -3.110 -0.867) 4.340 6.775 ( -2.315 -3.307 0.316) 4.049 6.821 ( -0.835 0.215 -0.349) 0.930 7.017 ( -8.394 -2.923 -1.638) 9.038 7.058 ( -7.611 -1.364 -2.690) 8.187 7.233 ( 0.473 -0.580 9.077) 9.107 7.407 ( -13.296 0.032 4.068) 13.905 7.621 ( -4.759 -3.581 3.531) 6.924 7.721 ( 3.917 -6.404 0.594) 7.531 7.795 ( -1.903 0.706 2.283) 3.055 7.887 ( -10.245 -3.400 -3.679) 11.404 8.081 ( -3.771 1.472 -0.333) 4.062 8.139 ( -4.635 1.109 2.562) 5.411 8.235 ( 1.990 1.119 -3.303) 4.015 8.285 ( 1.380 1.231 -1.348) 2.288 8.666 ( 4.167 -6.246 -1.414) 7.640 8.721 ( 3.298 -5.011 0.355) 6.009 8.749 ( 3.325 -3.593 0.053) 4.895 8.861 ( 2.163 0.327 -0.179) 2.195 8.947 ( 4.427 1.962 0.170) 4.845 9.022 ( -0.449 0.209 -0.583) 0.765 9.118 ( -1.574 3.369 1.391) 3.970 9.174 ( -0.804 0.025 -0.176) 0.823 10.379 ( 6.059 2.740 1.229) 6.762 10.475 ( 3.620 0.227 -1.147) 3.804 10.590 ( -0.838 -0.109 0.225) 0.875 10.638 ( -2.588 1.671 -0.891) 3.207 10.836 ( 1.952 0.842 -0.192) 2.135 10.849 ( 1.829 1.119 -0.513) 2.205 10.996 ( -2.117 1.041 0.242) 2.372 11.017 ( -2.350 -0.298 -0.390) 2.400 11.124 ( 4.281 -0.497 1.323) 4.508 11.185 ( 4.654 -1.068 0.207) 4.780 11.314 ( 0.029 1.347 1.057) 1.712 11.429 ( -0.869 -0.845 -1.277) 1.761 11.480 ( 3.857 2.364 -0.205) 4.528 11.503 ( 3.760 0.974 -0.615) 3.933 11.626 ( 0.386 -0.144 -0.437) 0.601 11.633 ( 0.562 0.054 -0.284) 0.632 11.876 ( 7.791 2.927 3.811) 9.154 12.268 ( 3.534 0.957 -7.306) 8.172 12.400 ( -6.370 -1.459 0.024) 6.535 12.476 ( 1.332 -4.566 -0.302) 4.765 12.639 ( 1.833 2.923 0.239) 3.459 12.772 ( 1.856 -0.531 -3.348) 3.864 12.994 ( -7.060 -3.419 6.688) 10.309 13.093 ( -10.837 -1.454 1.493) 11.036 ======================= Grid point 94 (35/75) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( 29.645 7.019 12.331) 32.866 3.296 ( 29.386 12.327 8.345) 32.941 3.768 ( -24.380 6.706 8.772) 26.764 3.865 ( -22.260 8.987 5.301) 24.584 3.959 ( 22.108 8.257 -12.732) 26.814 4.289 ( -1.539 2.467 -9.196) 9.645 4.430 ( 5.778 8.307 -11.624) 15.411 4.651 ( -10.407 3.350 -9.099) 14.224 4.762 ( 6.802 -0.610 1.700) 7.038 4.904 ( 10.475 -3.507 0.446) 11.056 4.939 ( -0.268 -0.232 3.710) 3.727 5.048 ( 6.935 2.810 3.657) 8.329 5.133 ( 2.841 1.039 -0.879) 3.150 5.272 ( -4.859 0.651 4.405) 6.590 5.449 ( 0.833 -1.752 3.210) 3.751 5.471 ( 7.432 3.559 -5.170) 9.727 5.680 ( 3.978 -1.306 4.507) 6.152 5.744 ( 1.557 4.016 4.734) 6.401 5.802 ( -10.060 -0.460 -3.339) 10.610 5.857 ( 2.715 2.051 -0.200) 3.409 5.946 ( 5.979 3.183 -0.026) 6.774 5.954 ( 10.573 -0.604 -0.017) 10.591 6.091 ( -6.030 2.788 2.106) 6.969 6.201 ( -12.100 -1.216 -1.742) 12.285 6.555 ( 4.964 1.141 -4.263) 6.642 6.624 ( 11.202 5.754 -5.415) 13.708 6.753 ( -2.444 -4.806 0.687) 5.436 6.822 ( -13.511 0.152 -2.797) 13.798 6.857 ( 2.510 -0.494 -0.421) 2.593 6.958 ( -10.622 -1.058 1.820) 10.828 6.989 ( -3.354 -1.736 -4.975) 6.246 7.193 ( -10.466 0.818 -1.112) 10.557 7.594 ( 1.189 -5.761 5.711) 8.198 7.668 ( -5.306 -4.924 3.677) 8.119 7.794 ( 2.822 -4.826 -0.311) 5.600 7.828 ( -0.434 -5.183 0.479) 5.223 8.036 ( -0.742 1.523 3.493) 3.883 8.055 ( -2.754 2.746 4.603) 6.026 8.289 ( 2.296 0.703 -3.120) 3.937 8.310 ( 0.277 0.722 -2.001) 2.145 8.718 ( 1.529 -7.511 -0.211) 7.668 8.742 ( -0.613 -6.313 0.705) 6.382 8.826 ( 3.525 -2.234 -2.740) 4.993 8.871 ( -0.833 -1.194 -2.929) 3.271 9.026 ( 2.125 1.099 1.323) 2.733 9.034 ( 1.438 1.878 1.803) 2.974 9.087 ( -0.297 4.163 0.844) 4.258 9.133 ( -2.992 1.346 -0.161) 3.285 10.480 ( 3.942 1.935 0.863) 4.475 10.520 ( 0.544 -0.008 0.045) 0.546 10.578 ( -0.412 0.741 -0.564) 1.018 10.589 ( -1.951 2.552 -0.966) 3.355 10.888 ( 3.082 0.619 -0.230) 3.152 10.892 ( 2.479 1.222 -0.259) 2.776 10.945 ( -2.713 1.258 -0.021) 2.991 10.956 ( -3.357 0.373 -0.356) 3.397 11.206 ( 3.443 -0.858 1.795) 3.977 11.247 ( 0.087 -1.477 1.911) 2.417 11.335 ( 2.788 0.555 -1.169) 3.074 11.396 ( -2.525 -0.750 -1.529) 3.045 11.556 ( 3.286 1.636 0.122) 3.672 11.572 ( 2.511 0.113 -0.282) 2.529 11.620 ( -0.860 1.090 -0.670) 1.542 11.630 ( -1.014 0.483 -0.668) 1.307 12.045 ( 8.932 1.758 3.284) 9.678 12.228 ( -8.836 -0.255 2.281) 9.130 12.353 ( 3.866 0.153 -5.302) 6.564 12.436 ( -3.931 -2.074 -3.154) 5.450 12.733 ( 6.164 -0.174 1.432) 6.331 12.814 ( 2.099 -1.258 -0.084) 2.448 12.870 ( -5.388 -1.992 1.821) 6.026 12.910 ( -6.765 -0.409 1.381) 6.917 ======================= Grid point 99 (36/75) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.000 34.753 16.397) 38.427 1.756 ( 0.000 27.420 32.259) 42.338 2.884 ( 0.000 59.688 16.145) 61.833 3.152 ( 0.000 19.384 -28.789) 34.706 3.301 ( 0.000 32.106 -20.802) 38.256 4.050 ( 0.000 -6.514 11.451) 13.175 4.076 ( 0.000 25.677 16.246) 30.385 4.154 ( 0.000 9.877 17.916) 20.458 4.485 ( 0.000 -12.411 5.960) 13.768 4.756 ( 0.000 20.245 -7.894) 21.730 4.895 ( 0.000 15.176 -35.158) 38.293 5.079 ( 0.000 4.489 4.449) 6.320 5.157 ( 0.000 -9.679 -12.181) 15.558 5.180 ( 0.000 -7.760 -12.679) 14.865 5.294 ( 0.000 8.888 -6.483) 11.001 5.455 ( 0.000 -0.415 -3.180) 3.207 5.481 ( 0.000 2.140 2.493) 3.285 5.810 ( 0.000 -6.838 1.770) 7.063 5.839 ( 0.000 -1.819 -4.790) 5.123 5.867 ( 0.000 -4.651 2.896) 5.479 6.069 ( 0.000 -11.339 8.295) 14.050 6.131 ( 0.000 -8.285 7.377) 11.093 6.326 ( 0.000 -4.193 -2.527) 4.896 6.403 ( 0.000 -10.683 1.152) 10.745 6.568 ( 0.000 -2.128 16.796) 16.930 6.827 ( 0.000 -2.822 0.383) 2.848 6.849 ( 0.000 1.562 5.022) 5.260 7.134 ( 0.000 -8.547 -4.497) 9.658 7.173 ( 0.000 -3.901 -1.178) 4.075 7.344 ( 0.000 -6.293 2.784) 6.881 7.386 ( 0.000 -5.003 7.377) 8.913 7.625 ( 0.000 -6.574 -3.876) 7.632 7.690 ( 0.000 7.191 2.325) 7.558 7.799 ( 0.000 -11.155 -6.338) 12.830 7.811 ( 0.000 -4.824 -4.512) 6.606 7.922 ( 0.000 4.254 -4.485) 6.181 8.040 ( 0.000 3.137 -2.288) 3.882 8.114 ( 0.000 4.947 -4.321) 6.568 8.269 ( 0.000 -3.799 3.281) 5.019 8.461 ( 0.000 -4.732 -1.814) 5.068 8.612 ( 0.000 0.624 6.519) 6.549 8.633 ( 0.000 2.462 2.533) 3.533 8.667 ( 0.000 -1.304 0.704) 1.482 8.769 ( 0.000 -1.237 0.017) 1.237 8.864 ( 0.000 0.111 4.537) 4.538 8.877 ( 0.000 4.889 -1.104) 5.012 9.037 ( 0.000 0.149 -5.029) 5.031 9.120 ( 0.000 0.003 -1.065) 1.065 10.192 ( 0.000 6.053 1.887) 6.340 10.319 ( 0.000 2.753 -1.048) 2.945 10.574 ( 0.000 -4.623 1.097) 4.752 10.659 ( 0.000 -4.936 -1.034) 5.044 10.735 ( 0.000 0.088 1.480) 1.482 10.808 ( 0.000 -0.808 -0.623) 1.021 10.815 ( 0.000 -2.521 -0.257) 2.534 10.837 ( 0.000 -2.633 -1.249) 2.914 11.279 ( 0.000 9.141 -0.520) 9.156 11.292 ( 0.000 8.053 -0.250) 8.057 11.321 ( 0.000 2.862 0.960) 3.019 11.401 ( 0.000 3.282 -0.873) 3.397 11.537 ( 0.000 0.527 1.215) 1.324 11.562 ( 0.000 -0.976 0.015) 0.976 11.581 ( 0.000 -1.210 -0.334) 1.255 11.611 ( 0.000 -0.454 -0.475) 0.658 11.673 ( 0.000 8.591 2.211) 8.871 12.112 ( 0.000 7.096 -17.723) 19.090 12.156 ( 0.000 1.105 2.269) 2.524 12.381 ( 0.000 -1.549 -2.978) 3.357 12.707 ( 0.000 0.794 -0.277) 0.841 12.722 ( 0.000 0.066 0.043) 0.079 13.142 ( 0.000 -13.134 16.959) 21.450 13.448 ( 0.000 -10.594 0.516) 10.607 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.11 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 15.429 25.547 25.341) 39.152 2.101 ( 27.088 29.887 13.971) 42.687 3.068 ( 18.914 47.351 12.858) 52.584 3.282 ( 11.947 27.072 -20.691) 36.107 3.412 ( 11.163 25.298 -22.272) 35.505 4.059 ( 3.022 11.509 14.183) 18.513 4.137 ( 5.020 0.846 9.512) 10.789 4.257 ( 8.968 14.506 17.386) 24.354 4.596 ( 10.210 -11.797 6.507) 16.904 4.768 ( 1.283 16.375 -7.364) 18.000 4.941 ( 2.003 9.478 -24.006) 25.887 5.014 ( -5.506 2.186 -0.033) 5.924 5.088 ( 0.901 2.530 -12.246) 12.537 5.309 ( 0.600 6.469 -4.328) 7.806 5.338 ( 5.987 -6.993 -8.922) 12.820 5.427 ( -1.015 3.149 -3.285) 4.663 5.463 ( 0.185 -1.256 -3.338) 3.572 5.704 ( -6.812 -6.294 0.291) 9.279 5.831 ( -3.055 -1.981 -0.310) 3.655 5.843 ( -2.976 -2.481 0.170) 3.878 6.032 ( -1.036 -10.889 4.095) 11.680 6.184 ( 2.017 -8.185 5.638) 10.142 6.302 ( -2.153 -4.408 -1.512) 5.134 6.375 ( -2.737 -10.151 1.123) 10.573 6.569 ( 0.332 0.091 14.926) 14.930 6.782 ( -3.679 -2.861 1.021) 4.771 6.834 ( -2.570 1.162 4.082) 4.962 7.040 ( -5.570 -6.627 -0.374) 8.665 7.159 ( -5.091 -2.173 -3.440) 6.517 7.283 ( -5.424 -6.242 4.859) 9.591 7.381 ( 1.569 -8.305 5.148) 9.896 7.528 ( -6.589 -3.380 -1.782) 7.617 7.669 ( -1.034 4.233 -0.472) 4.383 7.757 ( -11.129 6.868 -3.298) 13.487 7.857 ( 2.888 -7.168 -2.444) 8.105 7.924 ( 7.851 -7.661 -5.524) 12.282 8.057 ( 1.293 1.035 -2.719) 3.184 8.126 ( -0.187 1.816 -3.571) 4.011 8.354 ( 5.988 -5.227 2.042) 8.207 8.481 ( 1.172 -4.027 -0.903) 4.290 8.555 ( -5.177 1.478 1.710) 5.649 8.591 ( -9.940 0.273 1.017) 9.995 8.640 ( -0.411 1.062 3.191) 3.388 8.732 ( 3.809 1.225 4.315) 5.885 8.870 ( 0.543 4.791 -2.424) 5.396 8.938 ( 3.186 -2.762 0.782) 4.288 9.089 ( 3.933 -0.136 -2.451) 4.636 9.136 ( 1.423 0.619 -0.766) 1.731 10.233 ( 3.854 5.802 1.742) 7.180 10.349 ( 2.836 2.825 -0.984) 4.122 10.580 ( 0.261 -4.082 1.080) 4.230 10.669 ( 0.331 -4.723 -1.027) 4.845 10.761 ( 2.485 0.010 0.341) 2.508 10.774 ( 0.203 -0.319 -0.063) 0.384 10.866 ( 3.052 -2.280 -0.375) 3.828 10.888 ( 3.727 -2.418 -0.286) 4.452 11.252 ( -2.918 7.133 -0.108) 7.708 11.253 ( -2.253 7.412 -0.137) 7.748 11.350 ( 1.571 3.740 0.535) 4.091 11.416 ( 1.404 3.069 -0.768) 3.461 11.491 ( -3.091 1.030 -0.366) 3.278 11.520 ( -4.557 0.749 -0.065) 4.619 11.577 ( 0.674 -1.308 0.207) 1.486 11.594 ( -0.032 -0.899 -0.251) 0.934 11.724 ( 4.473 7.772 3.170) 9.511 12.175 ( 3.984 3.761 -12.425) 13.579 12.217 ( 5.203 0.762 0.431) 5.276 12.416 ( 2.592 -2.884 -4.036) 5.597 12.709 ( -0.350 2.332 -0.832) 2.500 12.712 ( -0.268 -1.226 -0.164) 1.266 13.106 ( -3.382 -10.987 14.616) 18.595 13.386 ( -5.904 -9.292 0.461) 11.019 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 24.747 20.693 19.885) 37.895 2.642 ( 25.220 29.829 7.851) 39.843 3.475 ( 16.531 22.012 -14.656) 31.186 3.694 ( 19.483 17.731 -19.270) 32.639 3.787 ( 35.555 30.733 7.072) 47.525 4.186 ( 9.404 12.802 12.058) 19.943 4.281 ( 8.791 -3.325 3.778) 10.130 4.467 ( 10.833 12.802 15.078) 22.552 4.800 ( -0.509 9.768 -4.706) 10.855 4.806 ( -0.714 -0.359 7.865) 7.905 4.877 ( 5.426 -3.526 0.120) 6.472 4.927 ( -4.671 0.017 -4.117) 6.227 5.163 ( 1.836 5.627 -6.072) 8.479 5.274 ( -3.460 3.184 -5.343) 7.117 5.327 ( -0.800 3.991 -7.722) 8.729 5.485 ( 5.518 3.791 -6.099) 9.057 5.533 ( -3.067 -8.282 -3.716) 9.582 5.609 ( 1.326 -3.720 -2.875) 4.885 5.778 ( 0.107 -1.194 -3.762) 3.949 5.782 ( 0.712 -0.048 -2.037) 2.159 6.003 ( -2.669 -4.029 -2.756) 5.563 6.160 ( -5.004 -8.459 1.741) 9.981 6.250 ( -2.612 -3.332 0.393) 4.252 6.311 ( -2.804 -6.624 1.865) 7.431 6.567 ( -1.588 1.321 6.673) 6.986 6.700 ( -3.976 -4.016 -0.596) 5.683 6.734 ( -6.464 1.551 3.774) 7.644 6.969 ( -2.425 1.181 3.355) 4.305 7.007 ( -6.614 -5.520 0.518) 8.631 7.148 ( -8.014 -6.666 4.139) 11.215 7.411 ( -3.391 -4.681 -0.097) 5.781 7.438 ( -0.573 -3.939 2.074) 4.488 7.533 ( -6.570 7.439 0.323) 9.930 7.659 ( -0.635 0.540 -0.885) 1.216 7.929 ( 3.431 -10.318 -0.744) 10.899 7.996 ( -3.476 1.634 -2.540) 4.605 8.071 ( -6.808 -0.445 -1.733) 7.039 8.112 ( 4.204 -5.505 -4.403) 8.208 8.340 ( -7.828 3.486 0.693) 8.597 8.408 ( -4.674 -3.800 0.709) 6.065 8.491 ( 0.536 0.197 -0.603) 0.831 8.525 ( 2.583 -4.094 0.500) 4.867 8.644 ( 0.622 -3.166 3.073) 4.455 8.817 ( 3.663 1.139 1.924) 4.291 8.911 ( 3.231 3.157 -2.075) 4.971 8.982 ( 1.637 -2.676 -0.943) 3.275 9.153 ( 1.906 -0.796 0.054) 2.066 9.168 ( 1.568 1.838 -0.231) 2.427 10.335 ( 5.836 5.001 1.416) 7.815 10.423 ( 4.140 2.613 -0.720) 4.948 10.581 ( 0.043 -2.149 0.972) 2.359 10.664 ( -0.381 -2.273 -0.838) 2.452 10.809 ( 2.631 0.208 -0.024) 2.640 10.824 ( 3.066 0.629 -0.531) 3.175 10.946 ( 4.368 -2.485 0.365) 5.038 10.958 ( 3.124 -2.082 0.141) 3.757 11.188 ( -3.074 6.482 -0.022) 7.174 11.203 ( -2.322 4.605 0.083) 5.158 11.355 ( -1.238 2.139 0.569) 2.536 11.444 ( -1.251 0.524 -1.443) 1.981 11.457 ( 2.055 1.817 -0.186) 2.750 11.477 ( 0.962 1.328 -0.172) 1.649 11.598 ( 1.425 -0.669 -0.078) 1.576 11.605 ( 1.184 -0.803 -0.069) 1.433 11.831 ( 5.911 6.509 3.569) 9.489 12.241 ( 2.627 2.075 -8.469) 9.106 12.326 ( 4.922 -1.639 0.958) 5.276 12.434 ( -1.376 -3.411 -2.823) 4.637 12.685 ( -1.109 1.093 0.108) 1.561 12.730 ( 1.316 -0.022 -2.609) 2.923 13.018 ( -5.072 -7.160 9.846) 13.189 13.229 ( -9.115 -6.412 0.457) 11.154 ======================= Grid point 102 (39/75) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 27.978 16.813 14.247) 35.615 3.137 ( 24.509 26.079 7.160) 36.497 3.817 ( 17.948 18.926 -14.923) 30.050 4.030 ( 14.502 8.948 -17.838) 24.669 4.305 ( -6.366 8.049 5.046) 11.436 4.416 ( 12.593 7.249 6.932) 16.099 4.529 ( 8.670 8.036 4.197) 12.544 4.573 ( 0.578 9.516 3.473) 10.147 4.735 ( 10.716 9.091 7.599) 15.976 4.828 ( 11.151 6.692 7.308) 14.918 4.858 ( -3.775 -0.829 -6.310) 7.399 5.018 ( 3.558 -0.105 -2.358) 4.270 5.147 ( -7.248 5.636 -2.672) 9.562 5.218 ( 3.887 -3.916 2.944) 6.254 5.361 ( 3.436 0.983 -6.887) 7.759 5.436 ( -3.645 -6.515 1.600) 7.635 5.559 ( 1.253 -4.488 4.193) 6.268 5.658 ( 7.640 1.741 -2.158) 8.127 5.796 ( 0.265 -2.584 -1.060) 2.806 5.881 ( -1.885 -4.786 -1.357) 5.320 5.949 ( -4.575 0.711 -1.294) 4.807 6.072 ( 2.379 5.625 -9.607) 11.384 6.203 ( -1.810 -1.069 -0.850) 2.268 6.284 ( 0.132 -3.822 -1.102) 3.980 6.482 ( -4.294 2.684 0.575) 5.096 6.638 ( -1.339 -3.560 2.586) 4.599 6.662 ( 1.183 2.469 -3.741) 4.636 6.832 ( -5.932 -2.844 -3.912) 7.654 6.969 ( -7.866 -5.468 1.572) 9.708 7.005 ( -2.767 2.079 3.844) 5.173 7.288 ( -2.691 5.229 5.315) 7.926 7.408 ( -3.950 -0.257 3.398) 5.217 7.546 ( -1.388 -4.836 -0.511) 5.057 7.606 ( -3.711 -2.553 2.277) 5.047 7.776 ( -9.682 -0.560 1.339) 9.791 7.864 ( -12.431 0.080 -3.695) 12.968 8.005 ( 1.668 -8.431 0.417) 8.605 8.165 ( 0.383 0.167 -0.966) 1.052 8.268 ( -1.193 1.621 -0.764) 2.153 8.324 ( -1.552 1.903 -1.370) 2.812 8.513 ( 1.126 -7.423 0.712) 7.542 8.612 ( 4.773 -6.704 -0.143) 8.231 8.649 ( 0.178 -6.414 1.688) 6.634 8.852 ( -0.251 -1.798 -2.771) 3.313 8.990 ( 4.091 2.918 0.057) 5.026 9.021 ( 2.441 -0.196 -0.207) 2.458 9.170 ( -0.148 -0.459 0.916) 1.035 9.181 ( -0.440 2.398 0.420) 2.474 10.449 ( 5.153 3.988 1.084) 6.605 10.498 ( 3.014 2.044 -0.186) 3.646 10.585 ( 0.364 -0.366 0.627) 0.812 10.657 ( -0.567 0.163 -0.847) 1.032 10.857 ( 2.199 1.190 0.068) 2.501 10.878 ( 2.369 1.687 -0.511) 2.953 11.001 ( 0.299 -0.782 0.182) 0.857 11.002 ( 0.354 -0.890 0.215) 0.982 11.154 ( 0.461 3.433 0.565) 3.509 11.190 ( 1.591 1.544 0.375) 2.248 11.329 ( -0.999 0.117 0.080) 1.009 11.409 ( -1.799 -1.191 -1.251) 2.494 11.519 ( 3.465 1.225 -0.290) 3.686 11.528 ( 3.478 1.716 -0.457) 3.905 11.629 ( 1.408 0.519 -0.262) 1.523 11.636 ( 1.448 0.202 -0.156) 1.470 11.956 ( 6.488 4.947 3.301) 8.801 12.283 ( 1.248 0.394 -4.503) 4.689 12.370 ( -4.128 -1.598 -1.754) 4.761 12.391 ( 1.181 -3.666 -0.200) 3.857 12.681 ( 1.032 1.427 0.297) 1.786 12.756 ( 1.195 -1.049 -1.879) 2.461 12.913 ( -5.101 -4.400 5.289) 8.564 13.042 ( -8.988 -3.650 0.582) 9.718 ======================= Grid point 103 (40/75) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( 26.768 13.606 9.687) 31.552 3.617 ( 20.914 19.192 6.915) 29.215 3.955 ( -20.015 11.647 6.524) 24.059 4.098 ( -15.243 13.575 5.004) 21.016 4.180 ( 16.558 13.192 -12.616) 24.645 4.382 ( -0.329 6.989 -10.154) 12.331 4.638 ( 1.475 12.062 -8.564) 14.867 4.707 ( 0.795 -0.528 -7.517) 7.578 4.777 ( 0.552 3.572 -1.085) 3.774 4.849 ( 9.079 -1.265 -0.987) 9.220 4.956 ( -8.163 1.702 2.190) 8.621 5.039 ( -6.868 -3.135 0.287) 7.555 5.140 ( 9.897 -0.100 2.638) 10.243 5.312 ( -2.650 1.122 6.183) 6.820 5.410 ( 6.184 -1.722 4.916) 8.085 5.516 ( 5.498 1.319 -2.010) 6.000 5.623 ( 1.536 -3.507 6.486) 7.531 5.699 ( -6.288 -8.352 1.740) 10.598 5.848 ( 8.883 2.710 0.635) 9.309 5.888 ( 8.292 -5.356 1.584) 9.997 5.923 ( 3.240 2.980 0.132) 4.404 6.085 ( 0.819 7.853 -3.040) 8.461 6.147 ( -11.781 -4.034 0.470) 12.461 6.162 ( -3.871 2.943 -0.767) 4.923 6.540 ( 6.543 -0.331 -1.642) 6.754 6.651 ( 0.306 -1.937 1.858) 2.701 6.764 ( 1.041 -2.352 -5.105) 5.717 6.801 ( -1.604 3.521 -3.993) 5.560 6.854 ( -0.328 -1.233 -1.918) 2.304 6.952 ( 10.696 8.546 -5.941) 14.924 7.073 ( -20.723 8.012 2.398) 22.347 7.275 ( -7.826 7.417 0.574) 10.797 7.489 ( 1.021 -4.677 3.434) 5.891 7.588 ( -8.714 -3.520 1.396) 9.501 7.655 ( 1.978 -6.546 -0.936) 6.902 7.697 ( -1.989 -6.101 -0.127) 6.418 8.042 ( 2.515 -2.304 3.115) 4.619 8.116 ( -4.241 2.326 4.936) 6.911 8.283 ( 1.997 -1.194 -2.214) 3.212 8.314 ( -0.669 -0.445 -0.771) 1.113 8.546 ( 2.430 -9.181 0.718) 9.524 8.603 ( -2.727 -7.909 1.271) 8.462 8.736 ( 5.184 -6.550 -3.181) 8.938 8.818 ( -2.886 -4.346 -4.406) 6.828 9.057 ( 2.668 2.030 1.173) 3.552 9.075 ( 1.907 2.023 1.863) 3.347 9.148 ( -1.216 1.139 0.149) 1.673 9.160 ( -1.466 1.800 0.517) 2.378 10.529 ( 2.404 2.714 1.027) 3.768 10.539 ( 1.034 1.777 0.622) 2.148 10.598 ( 1.115 1.169 -0.313) 1.646 10.633 ( -1.841 1.761 -0.827) 2.678 10.907 ( 2.798 1.263 0.128) 3.073 10.925 ( 2.389 1.964 -0.323) 3.110 10.967 ( -2.754 0.758 0.077) 2.858 10.976 ( -2.321 1.597 -0.141) 2.821 11.196 ( 2.681 0.050 1.341) 2.998 11.227 ( 0.402 -0.466 1.459) 1.584 11.326 ( 1.227 -1.383 -1.300) 2.260 11.368 ( -2.288 -1.892 -1.429) 3.296 11.587 ( 2.967 1.314 0.044) 3.245 11.598 ( 2.744 2.365 -0.366) 3.641 11.639 ( -0.437 0.887 -0.413) 1.072 11.648 ( -0.469 1.322 -0.592) 1.523 12.091 ( 6.842 2.782 2.667) 7.853 12.226 ( -6.174 0.139 1.763) 6.423 12.349 ( 1.582 -0.736 -4.430) 4.761 12.383 ( -1.447 -2.989 -2.092) 3.925 12.727 ( 3.212 -0.407 0.948) 3.374 12.779 ( 0.280 -1.988 1.310) 2.398 12.827 ( -2.103 -2.257 0.636) 3.150 12.886 ( -6.047 -1.940 0.438) 6.366 ======================= Grid point 108 (41/75) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.000 28.355 23.776) 37.004 2.417 ( 0.000 33.566 11.945) 35.628 3.565 ( 0.000 19.713 -22.677) 30.047 3.804 ( 0.000 -14.200 7.974) 16.286 3.844 ( 0.000 18.730 -10.902) 21.671 3.943 ( 0.000 30.776 -2.562) 30.882 4.199 ( 0.000 6.044 6.462) 8.848 4.406 ( 0.000 11.281 10.688) 15.540 4.604 ( 0.000 16.677 11.771) 20.412 4.902 ( 0.000 -4.674 -12.740) 13.570 5.020 ( 0.000 -5.808 -5.935) 8.304 5.146 ( 0.000 11.769 -9.203) 14.940 5.172 ( 0.000 4.196 1.685) 4.522 5.292 ( 0.000 20.281 -11.210) 23.173 5.395 ( 0.000 -5.054 -3.658) 6.238 5.467 ( 0.000 7.531 -2.018) 7.797 5.573 ( 0.000 4.738 1.646) 5.016 5.655 ( 0.000 -8.001 1.995) 8.246 5.757 ( 0.000 -3.639 -3.578) 5.104 5.787 ( 0.000 -2.475 3.875) 4.598 5.945 ( 0.000 0.939 1.302) 1.605 5.987 ( 0.000 -7.992 3.965) 8.921 6.173 ( 0.000 -9.060 2.080) 9.296 6.223 ( 0.000 -7.956 -1.708) 8.137 6.592 ( 0.000 2.115 11.612) 11.803 6.779 ( 0.000 -1.195 3.428) 3.631 6.877 ( 0.000 -1.398 -0.314) 1.432 6.961 ( 0.000 -7.303 -5.083) 8.898 7.079 ( 0.000 -3.448 4.213) 5.444 7.158 ( 0.000 -10.789 -0.217) 10.791 7.330 ( 0.000 0.955 7.300) 7.362 7.477 ( 0.000 -17.635 -3.837) 18.048 7.480 ( 0.000 -7.804 -3.208) 8.437 7.725 ( 0.000 -3.026 -3.633) 4.728 7.856 ( 0.000 5.957 -0.730) 6.002 8.032 ( 0.000 4.988 -3.308) 5.985 8.095 ( 0.000 1.904 -1.699) 2.552 8.115 ( 0.000 -10.158 2.063) 10.365 8.190 ( 0.000 2.305 -4.974) 5.482 8.261 ( 0.000 -13.864 -1.004) 13.901 8.633 ( 0.000 1.318 4.972) 5.144 8.651 ( 0.000 0.570 0.867) 1.038 8.735 ( 0.000 5.961 2.454) 6.447 8.783 ( 0.000 2.101 0.397) 2.139 8.867 ( 0.000 0.067 4.487) 4.488 8.993 ( 0.000 6.125 -1.975) 6.436 9.007 ( 0.000 -2.499 -3.806) 4.553 9.144 ( 0.000 1.451 -1.640) 2.190 10.299 ( 0.000 4.315 1.511) 4.572 10.378 ( 0.000 2.823 -0.328) 2.841 10.482 ( 0.000 -4.301 1.147) 4.451 10.556 ( 0.000 -4.875 -0.479) 4.898 10.745 ( 0.000 0.683 0.879) 1.113 10.778 ( 0.000 -1.105 -0.216) 1.126 10.795 ( 0.000 -1.460 -1.028) 1.785 10.796 ( 0.000 -0.521 -0.402) 0.658 11.384 ( 0.000 3.247 1.115) 3.433 11.417 ( 0.000 5.398 0.125) 5.400 11.458 ( 0.000 2.156 -0.104) 2.158 11.461 ( 0.000 6.999 -0.992) 7.069 11.537 ( 0.000 -1.318 0.167) 1.328 11.556 ( 0.000 1.303 -0.088) 1.306 11.558 ( 0.000 -0.783 0.087) 0.787 11.601 ( 0.000 -0.495 -0.307) 0.583 11.842 ( 0.000 8.203 2.306) 8.521 12.160 ( 0.000 -1.031 1.872) 2.137 12.190 ( 0.000 1.966 -9.987) 10.179 12.335 ( 0.000 -2.892 -2.329) 3.713 12.698 ( 0.000 -0.161 0.949) 0.962 12.778 ( 0.000 4.270 -1.205) 4.436 12.932 ( 0.000 -8.487 10.332) 13.371 13.233 ( 0.000 -10.663 -0.984) 10.709 ======================= Grid point 109 (42/75) ======================= q-point: ( 0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 11.419 27.366 18.981) 35.208 2.693 ( 23.055 29.523 11.543) 39.197 3.646 ( 8.100 19.683 -19.447) 28.830 3.846 ( 5.431 -9.930 5.512) 12.589 3.909 ( 5.314 16.738 -16.370) 24.008 4.082 ( 12.856 27.864 3.340) 30.868 4.301 ( 9.107 -0.139 6.954) 11.460 4.431 ( 3.533 11.918 6.726) 14.134 4.656 ( 4.796 14.512 13.364) 20.303 4.840 ( -2.458 0.731 -6.913) 7.373 5.058 ( -1.126 -1.351 -2.032) 2.688 5.171 ( 0.931 1.540 -1.627) 2.426 5.184 ( 0.898 11.145 -4.843) 12.185 5.325 ( 4.376 4.779 -10.996) 12.763 5.380 ( -1.483 0.213 -4.520) 4.762 5.446 ( -1.826 6.762 -0.900) 7.062 5.564 ( -4.195 -1.289 -0.337) 4.401 5.587 ( -1.149 1.792 1.070) 2.383 5.716 ( -3.302 -4.171 -1.653) 5.571 5.843 ( 1.712 -6.611 3.438) 7.645 5.867 ( -1.057 3.042 -2.693) 4.198 6.085 ( 4.835 -4.684 1.119) 6.824 6.136 ( -3.114 -8.307 0.762) 8.904 6.213 ( -0.970 -6.994 -0.835) 7.110 6.604 ( 0.524 1.127 6.147) 6.271 6.754 ( -2.488 0.364 2.722) 3.706 6.848 ( -2.949 -2.422 0.080) 3.817 6.932 ( -0.857 -0.316 2.592) 2.749 7.107 ( 0.952 -5.418 2.965) 6.250 7.117 ( -3.882 -7.753 -1.341) 8.774 7.225 ( -5.940 -5.470 5.700) 9.884 7.436 ( -2.104 -4.552 -2.166) 5.463 7.615 ( 6.512 -12.357 -2.359) 14.166 7.719 ( 0.258 -5.597 -1.694) 5.853 7.830 ( -1.129 3.360 -2.272) 4.210 7.919 ( -8.896 7.422 -3.573) 12.124 8.091 ( -0.677 0.523 -1.705) 1.908 8.127 ( 0.353 -5.351 -0.315) 5.372 8.184 ( -0.804 -7.358 -1.017) 7.472 8.299 ( 2.717 -12.505 -0.530) 12.807 8.599 ( -1.162 3.196 1.324) 3.649 8.645 ( -7.590 3.113 0.854) 8.248 8.700 ( -2.796 3.877 1.684) 5.068 8.759 ( 3.176 1.468 4.375) 5.602 8.902 ( 2.008 -0.230 0.941) 2.230 8.980 ( -0.127 5.196 -2.520) 5.776 9.065 ( 3.820 -1.614 -1.176) 4.310 9.160 ( 1.377 0.974 -1.547) 2.288 10.335 ( 3.434 4.174 1.445) 5.595 10.408 ( 2.831 2.831 -0.282) 4.013 10.500 ( 1.597 -3.703 1.182) 4.203 10.575 ( 1.604 -4.363 -0.406) 4.666 10.771 ( 2.642 0.791 0.120) 2.760 10.774 ( 1.023 0.386 -0.159) 1.105 10.829 ( 3.101 -1.424 -0.381) 3.433 10.846 ( 3.441 -1.793 -0.277) 3.890 11.354 ( -2.611 4.374 0.805) 5.158 11.411 ( -3.893 6.196 -0.657) 7.347 11.432 ( -0.074 3.849 0.470) 3.878 11.465 ( 0.693 1.763 0.010) 1.894 11.504 ( -3.435 0.226 -0.807) 3.535 11.532 ( -2.842 0.991 -0.202) 3.016 11.551 ( 1.081 -0.908 0.122) 1.417 11.577 ( -0.706 -0.775 -0.147) 1.059 11.884 ( 3.670 7.976 2.605) 9.158 12.198 ( 3.172 -1.255 0.711) 3.484 12.235 ( 3.331 1.040 -7.779) 8.526 12.354 ( 1.540 -3.210 -2.496) 4.348 12.696 ( -0.162 -0.111 0.958) 0.978 12.770 ( -0.748 3.858 -1.246) 4.123 12.922 ( -1.105 -7.729 9.091) 11.984 13.193 ( -3.839 -9.721 -0.877) 10.488 ======================= Grid point 110 (43/75) ======================= q-point: ( 0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 20.776 23.890 14.421) 34.790 3.200 ( 24.761 26.449 6.197) 36.757 3.885 ( 14.921 17.432 -14.109) 26.936 4.020 ( 10.825 0.920 -5.018) 11.967 4.055 ( 9.619 4.189 -10.978) 15.185 4.401 ( 13.553 21.435 8.006) 26.594 4.460 ( 10.362 -3.852 -1.886) 11.214 4.642 ( 15.668 3.764 5.947) 17.176 4.773 ( 5.950 10.759 13.152) 18.003 4.848 ( 3.175 6.676 2.697) 7.869 4.973 ( -5.125 9.019 1.777) 10.525 5.105 ( -7.078 11.397 0.038) 13.416 5.222 ( 2.597 -2.474 0.415) 3.611 5.285 ( -6.290 1.481 -3.386) 7.295 5.367 ( -2.735 -3.893 -1.976) 5.152 5.430 ( -5.271 1.823 1.323) 5.732 5.493 ( 3.481 -2.946 -8.116) 9.310 5.590 ( -2.379 -9.628 4.360) 10.834 5.657 ( -0.616 3.150 -4.536) 5.556 5.855 ( 0.962 3.172 -3.554) 4.860 5.899 ( 0.611 -7.518 -1.685) 7.729 6.099 ( 2.055 -1.187 -4.043) 4.688 6.147 ( 0.366 -4.895 -1.904) 5.265 6.201 ( 1.007 -1.617 -2.009) 2.769 6.600 ( -0.038 1.232 -0.680) 1.408 6.675 ( -4.561 0.394 -2.362) 5.151 6.770 ( -5.223 2.389 2.202) 6.151 6.948 ( -0.835 3.292 8.823) 9.454 7.014 ( -5.917 -5.720 2.711) 8.665 7.041 ( -2.684 4.188 1.702) 5.258 7.218 ( 3.575 -10.556 2.267) 11.373 7.387 ( -2.055 -3.059 0.756) 3.762 7.674 ( -0.090 -2.950 -1.060) 3.136 7.717 ( -4.789 3.998 -0.949) 6.310 7.729 ( -3.712 -1.081 -0.868) 3.963 7.901 ( 5.432 -9.339 -5.079) 11.938 8.038 ( -5.563 -1.170 -3.149) 6.498 8.068 ( -4.765 -1.045 -1.538) 5.115 8.217 ( 3.129 -12.712 4.066) 13.708 8.335 ( 0.160 -6.904 0.479) 6.922 8.477 ( -6.205 1.026 0.621) 6.320 8.556 ( -3.785 4.023 -1.248) 5.663 8.616 ( -5.311 0.864 2.577) 5.966 8.812 ( 0.881 -1.562 -0.179) 1.803 8.954 ( 3.250 1.012 0.352) 3.422 9.000 ( 2.273 4.607 -1.345) 5.311 9.128 ( 2.164 -1.745 0.646) 2.854 9.191 ( 1.454 0.204 -1.008) 1.781 10.425 ( 5.036 3.691 1.269) 6.371 10.479 ( 3.779 2.695 -0.086) 4.642 10.538 ( 2.043 -2.005 1.220) 3.111 10.612 ( 2.026 -2.646 -0.303) 3.346 10.820 ( 3.146 0.911 0.032) 3.275 10.841 ( 3.870 1.065 -0.576) 4.055 10.908 ( 4.402 -1.419 0.103) 4.627 10.918 ( 3.587 -1.875 0.011) 4.047 11.286 ( -3.695 4.090 0.371) 5.524 11.315 ( -4.837 5.201 -0.290) 7.108 11.386 ( -3.635 0.733 0.289) 3.719 11.445 ( -3.182 -0.288 -0.985) 3.343 11.493 ( 1.943 1.875 -0.274) 2.714 11.506 ( 1.349 1.763 -0.247) 2.233 11.587 ( 2.246 -0.453 -0.005) 2.292 11.590 ( 2.102 -0.565 0.021) 2.177 11.970 ( 4.549 7.070 2.696) 8.829 12.258 ( 2.300 -1.070 -1.815) 3.119 12.293 ( 2.236 -0.845 -2.563) 3.505 12.374 ( -0.093 -2.762 -2.782) 3.921 12.693 ( 0.009 0.210 0.960) 0.983 12.754 ( -0.723 2.421 -1.471) 2.923 12.886 ( -2.465 -5.989 6.382) 9.093 13.088 ( -6.236 -7.407 -0.593) 9.701 ======================= Grid point 111 (44/75) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( 24.613 20.400 10.150) 33.541 3.653 ( 20.591 24.992 3.819) 32.606 4.198 ( 14.796 17.406 -9.499) 24.741 4.229 ( 10.386 11.474 -16.945) 22.949 4.305 ( 12.635 -9.138 -1.423) 15.658 4.483 ( -2.226 4.299 0.072) 4.841 4.686 ( 1.369 1.542 -0.868) 2.237 4.830 ( -3.661 12.520 4.547) 13.814 4.853 ( 3.486 6.517 7.751) 10.710 4.914 ( 5.724 2.269 10.480) 12.156 4.955 ( 1.587 0.518 0.858) 1.877 5.030 ( -0.198 8.408 -5.498) 10.048 5.193 ( -1.243 -0.234 3.916) 4.115 5.273 ( -4.509 -6.035 0.914) 7.589 5.329 ( 7.857 12.410 5.309) 15.618 5.367 ( 3.274 1.485 -0.146) 3.598 5.490 ( -0.361 -3.272 -1.603) 3.661 5.579 ( -0.060 -12.585 -2.046) 12.751 5.670 ( 1.781 -2.669 4.234) 5.312 5.779 ( -6.611 -10.417 -5.088) 13.346 5.895 ( -1.167 -5.271 0.388) 5.413 6.140 ( 0.282 -3.187 -0.430) 3.228 6.166 ( -0.187 -3.072 1.208) 3.306 6.260 ( 2.504 4.264 -10.957) 12.021 6.577 ( -3.856 5.408 0.678) 6.676 6.641 ( 3.655 4.517 -0.060) 5.811 6.729 ( 0.935 1.471 -2.118) 2.743 6.854 ( -3.376 4.696 -0.154) 5.786 6.872 ( -3.401 2.249 -1.596) 4.379 7.088 ( 1.308 3.670 0.941) 4.008 7.308 ( 4.721 -3.311 3.253) 6.620 7.384 ( 2.407 -1.427 3.194) 4.246 7.560 ( -6.757 6.319 -0.846) 9.290 7.625 ( -5.572 3.407 -0.078) 6.532 7.782 ( 0.422 -8.039 0.984) 8.110 7.795 ( -9.706 -0.083 1.386) 9.805 7.881 ( -8.689 -1.330 -1.205) 8.872 8.094 ( 5.561 -6.620 -5.300) 10.140 8.257 ( 0.220 -4.711 0.687) 4.766 8.314 ( -2.355 -2.553 2.375) 4.208 8.449 ( -2.572 -2.121 -0.674) 3.401 8.454 ( 0.406 -5.042 -0.396) 5.073 8.514 ( -4.380 -5.868 2.578) 7.763 8.788 ( -3.116 -4.508 -3.965) 6.764 9.027 ( 3.829 1.151 0.671) 4.055 9.059 ( 3.108 3.769 -0.320) 4.895 9.154 ( 0.532 -1.218 1.520) 2.019 9.205 ( -0.226 0.019 -0.151) 0.273 10.522 ( 4.276 3.047 1.053) 5.355 10.545 ( 2.615 2.412 0.389) 3.579 10.579 ( 1.962 -0.201 1.012) 2.217 10.650 ( 1.377 -0.783 -0.290) 1.610 10.883 ( 2.881 1.423 0.238) 3.222 10.912 ( 3.045 1.675 -0.540) 3.517 10.981 ( 2.364 -1.166 0.175) 2.642 10.983 ( 2.219 -0.921 0.203) 2.411 11.229 ( -1.832 2.961 -0.031) 3.482 11.234 ( -2.481 3.064 0.046) 3.943 11.320 ( -2.740 -0.896 -0.127) 2.885 11.381 ( -2.989 -1.624 -1.216) 3.613 11.546 ( 3.454 1.776 0.087) 3.885 11.564 ( 3.835 1.988 -0.607) 4.362 11.639 ( 2.324 0.086 -0.124) 2.329 11.641 ( 2.600 0.348 -0.106) 2.625 12.061 ( 4.430 5.301 2.419) 7.319 12.283 ( -0.084 -0.438 -1.746) 1.802 12.313 ( -0.306 -2.913 0.648) 3.000 12.352 ( -1.361 -1.355 -3.337) 3.850 12.700 ( 0.700 0.517 0.720) 1.129 12.743 ( -0.222 0.326 -1.063) 1.133 12.827 ( -3.097 -4.064 3.482) 6.183 12.956 ( -6.586 -4.790 -0.281) 8.148 ======================= Grid point 112 (45/75) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.710 ( 23.804 17.203 6.188) 30.015 4.020 ( 10.606 20.425 3.660) 23.303 4.209 ( -11.026 13.215 3.310) 17.526 4.371 ( -4.333 13.016 -0.260) 13.721 4.432 ( 8.833 11.236 -10.747) 17.882 4.560 ( -4.068 5.511 -5.313) 8.669 4.637 ( 10.337 -1.163 -0.286) 10.406 4.825 ( 5.619 0.932 -5.995) 8.269 4.870 ( -7.702 1.888 -2.047) 8.190 4.881 ( 2.168 10.072 -4.673) 11.313 4.974 ( -5.004 -2.161 -1.446) 5.639 5.012 ( -6.650 4.625 -0.481) 8.115 5.163 ( 5.137 3.992 4.910) 8.150 5.285 ( -2.275 -3.393 6.827) 7.956 5.317 ( 5.731 -6.742 3.894) 9.668 5.481 ( -7.092 -12.150 3.673) 14.540 5.559 ( 2.346 -0.715 0.711) 2.553 5.594 ( 0.916 0.033 3.424) 3.545 5.739 ( 6.845 -9.650 1.724) 11.956 5.759 ( 5.789 -9.212 -2.671) 11.203 5.880 ( 1.650 -6.643 2.943) 7.451 6.054 ( -10.170 -3.693 3.236) 11.293 6.182 ( 2.926 0.535 -0.475) 3.013 6.235 ( -2.268 2.716 -4.148) 5.453 6.586 ( 2.207 1.100 1.063) 2.686 6.639 ( -3.978 1.695 1.179) 4.482 6.749 ( 5.075 3.293 1.904) 6.343 6.797 ( 1.521 4.806 -2.801) 5.767 7.012 ( 3.344 7.640 -4.503) 9.478 7.185 ( 16.033 13.391 -8.744) 22.645 7.265 ( -18.198 10.422 1.787) 21.047 7.403 ( 3.358 -2.008 2.455) 4.619 7.445 ( -2.673 6.894 -0.322) 7.401 7.520 ( -3.405 -0.528 2.736) 4.400 7.606 ( -7.733 0.761 -3.849) 8.671 7.646 ( -6.286 0.027 -2.105) 6.629 7.950 ( 8.726 -5.263 5.120) 11.404 8.119 ( -6.130 -2.049 3.418) 7.312 8.239 ( 1.844 -3.804 -2.303) 4.814 8.289 ( -1.544 -2.951 -0.869) 3.442 8.377 ( 0.184 -6.196 1.522) 6.383 8.433 ( -3.814 -8.572 1.910) 9.575 8.571 ( 6.695 -9.855 -2.153) 12.107 8.697 ( -5.594 -7.672 -4.689) 10.590 9.097 ( 2.659 1.708 0.862) 3.276 9.113 ( 1.726 1.855 1.163) 2.788 9.154 ( 0.006 -0.156 0.684) 0.702 9.183 ( -1.865 0.246 0.264) 1.900 10.580 ( 1.227 2.361 0.898) 2.808 10.583 ( 0.978 2.234 1.279) 2.754 10.621 ( 2.309 1.020 0.168) 2.530 10.656 ( -0.847 0.558 -0.188) 1.032 10.938 ( 2.609 1.754 0.365) 3.165 10.965 ( 2.163 1.886 -0.296) 2.886 10.984 ( -1.461 0.931 0.291) 1.757 11.000 ( -0.709 0.652 -0.054) 0.965 11.207 ( 0.398 0.995 0.389) 1.140 11.224 ( -0.435 0.073 0.583) 0.732 11.289 ( 0.317 -2.072 -1.071) 2.354 11.325 ( -2.555 -2.360 -1.303) 3.714 11.621 ( 3.391 1.988 -0.001) 3.931 11.640 ( 3.177 1.814 -0.660) 3.717 11.662 ( -0.375 1.284 -0.118) 1.343 11.674 ( 0.128 1.052 -0.473) 1.160 12.149 ( 4.363 2.933 1.902) 5.591 12.235 ( -3.948 0.769 1.146) 4.182 12.314 ( 0.566 -2.720 -1.318) 3.075 12.331 ( -0.968 -2.102 -2.232) 3.215 12.721 ( 1.274 -0.078 0.572) 1.399 12.745 ( -0.345 -1.210 1.101) 1.672 12.781 ( -0.185 -2.291 0.053) 2.300 12.838 ( -4.802 -2.790 -0.217) 5.558 ======================= Grid point 117 (46/75) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 0.000 26.996 17.308) 32.068 3.052 ( 0.000 29.941 9.526) 31.420 3.373 ( 0.000 -22.813 12.901) 26.209 3.606 ( 0.000 -24.828 8.371) 26.201 4.041 ( 0.000 21.675 -21.131) 30.270 4.262 ( 0.000 13.432 -23.942) 27.453 4.453 ( 0.000 -16.286 -17.000) 23.542 4.479 ( 0.000 -5.008 -14.278) 15.130 4.853 ( 0.000 23.536 8.826) 25.136 5.035 ( 0.000 6.342 10.406) 12.186 5.185 ( 0.000 -6.720 6.505) 9.353 5.194 ( 0.000 7.331 9.323) 11.860 5.303 ( 0.000 20.162 6.926) 21.318 5.320 ( 0.000 2.644 -1.928) 3.272 5.430 ( 0.000 -5.078 -1.146) 5.206 5.565 ( 0.000 1.720 1.395) 2.215 5.578 ( 0.000 2.382 -1.739) 2.949 5.625 ( 0.000 2.703 4.125) 4.932 5.762 ( 0.000 -8.211 3.506) 8.928 5.811 ( 0.000 4.159 4.140) 5.868 5.876 ( 0.000 1.374 -2.353) 2.725 5.906 ( 0.000 -24.292 4.800) 24.762 6.077 ( 0.000 8.601 -5.543) 10.232 6.127 ( 0.000 4.891 -9.098) 10.330 6.572 ( 0.000 0.649 -3.105) 3.172 6.778 ( 0.000 -6.795 -7.894) 10.416 6.808 ( 0.000 -0.550 -5.059) 5.089 6.866 ( 0.000 -15.796 -5.666) 16.782 6.934 ( 0.000 8.192 10.571) 13.374 7.134 ( 0.000 3.272 4.055) 5.211 7.170 ( 0.000 -9.311 5.539) 10.834 7.301 ( 0.000 -8.246 2.107) 8.511 7.498 ( 0.000 13.815 2.225) 13.993 7.719 ( 0.000 3.001 -2.317) 3.792 7.814 ( 0.000 -13.121 0.522) 13.131 7.865 ( 0.000 -12.177 1.289) 12.245 8.076 ( 0.000 -0.089 -1.293) 1.296 8.105 ( 0.000 -0.923 -1.421) 1.694 8.145 ( 0.000 4.203 -5.219) 6.701 8.200 ( 0.000 -1.209 -5.125) 5.266 8.657 ( 0.000 0.910 3.415) 3.534 8.663 ( 0.000 0.296 2.045) 2.066 8.826 ( 0.000 2.326 3.859) 4.506 8.856 ( 0.000 5.281 -1.296) 5.438 8.859 ( 0.000 -1.008 3.889) 4.017 8.946 ( 0.000 -3.700 -2.039) 4.225 9.100 ( 0.000 4.261 -2.302) 4.843 9.152 ( 0.000 -0.971 -2.215) 2.419 10.362 ( 0.000 2.376 1.342) 2.729 10.411 ( 0.000 -2.836 1.231) 3.091 10.426 ( 0.000 2.180 -0.093) 2.182 10.476 ( 0.000 -3.154 -0.183) 3.160 10.759 ( 0.000 0.733 0.200) 0.760 10.769 ( 0.000 -0.090 -0.396) 0.406 10.778 ( 0.000 -0.260 -0.293) 0.392 10.785 ( 0.000 -0.589 -0.218) 0.628 11.442 ( 0.000 2.423 1.054) 2.642 11.472 ( 0.000 -0.110 0.781) 0.789 11.488 ( 0.000 1.171 0.542) 1.290 11.510 ( 0.000 -1.077 0.628) 1.247 11.545 ( 0.000 1.955 -0.976) 2.185 11.571 ( 0.000 -0.370 -0.931) 1.002 11.577 ( 0.000 2.123 -0.383) 2.158 11.596 ( 0.000 -0.037 -0.239) 0.242 11.994 ( 0.000 6.901 1.749) 7.119 12.107 ( 0.000 -4.295 1.537) 4.562 12.224 ( 0.000 1.973 -5.153) 5.517 12.274 ( 0.000 -3.008 -2.850) 4.144 12.718 ( 0.000 2.395 2.818) 3.698 12.795 ( 0.000 -5.376 5.703) 7.837 12.885 ( 0.000 6.496 -1.749) 6.727 13.037 ( 0.000 -8.852 -1.692) 9.012 ======================= Grid point 118 (47/75) ======================= q-point: ( 0.11 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 9.123 26.279 13.845) 31.072 3.261 ( 18.433 26.957 9.592) 34.037 3.445 ( 7.565 -22.031 10.156) 25.412 3.768 ( 14.770 -22.615 8.556) 28.334 4.081 ( 4.297 18.847 -20.416) 28.115 4.309 ( 3.949 12.038 -20.101) 23.760 4.420 ( 0.774 -8.094 -18.117) 19.858 4.574 ( 5.685 -6.920 -8.372) 12.260 4.894 ( 3.687 18.219 7.576) 20.073 5.023 ( -0.722 6.583 10.874) 12.732 5.171 ( -1.265 -6.396 5.509) 8.536 5.196 ( 0.092 0.040 6.245) 6.245 5.296 ( -2.365 3.108 -1.214) 4.090 5.340 ( 3.387 22.200 6.836) 23.474 5.402 ( -2.481 -3.512 -1.548) 4.570 5.526 ( -4.296 4.091 1.370) 6.089 5.572 ( -0.256 4.010 -0.983) 4.136 5.592 ( -2.578 1.698 4.103) 5.135 5.759 ( -3.355 0.703 3.173) 4.671 5.778 ( -0.817 -6.837 1.853) 7.130 5.851 ( -2.341 -3.826 2.097) 4.951 5.936 ( 1.951 -19.276 2.328) 19.514 6.083 ( 1.252 7.670 -4.758) 9.112 6.160 ( 2.972 3.545 -10.663) 11.623 6.593 ( 2.397 4.026 -4.343) 6.389 6.753 ( -2.335 -0.661 -6.881) 7.296 6.811 ( 0.379 -3.591 -4.483) 5.757 6.880 ( 1.505 -15.612 -5.195) 16.523 6.979 ( 4.060 6.992 10.175) 12.996 7.107 ( -2.702 2.897 4.525) 6.014 7.155 ( -1.598 -1.918 5.770) 6.287 7.309 ( 0.681 -10.761 0.039) 10.783 7.529 ( 3.056 10.234 2.528) 10.975 7.695 ( -1.878 3.768 -1.413) 4.441 7.800 ( -1.574 -10.644 0.513) 10.772 7.876 ( 0.898 -13.203 1.778) 13.352 8.043 ( -6.284 4.127 -3.839) 8.441 8.076 ( -0.538 -2.281 -2.201) 3.215 8.103 ( -1.999 0.026 -2.110) 2.906 8.150 ( -3.498 -3.139 -3.361) 5.778 8.661 ( 0.063 2.571 0.973) 2.749 8.685 ( -2.325 0.452 0.929) 2.544 8.755 ( -4.015 1.885 2.043) 4.883 8.780 ( -3.162 -0.125 3.819) 4.960 8.931 ( 3.619 3.119 0.598) 4.814 8.999 ( 3.598 -2.938 -0.686) 4.696 9.097 ( -0.021 4.097 -1.982) 4.551 9.156 ( 0.424 -1.547 -2.096) 2.639 10.396 ( 3.146 2.204 1.329) 4.064 10.438 ( 2.579 -2.333 1.209) 3.682 10.456 ( 2.822 2.010 0.014) 3.464 10.503 ( 2.478 -2.848 -0.110) 3.777 10.788 ( 2.343 0.954 -0.253) 2.542 10.790 ( 2.500 0.981 -0.083) 2.687 10.808 ( 2.955 -0.776 -0.294) 3.069 10.816 ( 2.708 -1.287 -0.128) 3.001 11.424 ( -2.154 2.658 1.008) 3.566 11.458 ( -2.159 -0.665 0.719) 2.371 11.481 ( -2.133 1.183 0.900) 2.599 11.496 ( -1.875 0.301 -0.159) 1.905 11.523 ( -1.234 1.548 -0.940) 2.192 11.535 ( -1.099 0.418 -0.722) 1.380 11.563 ( -0.919 0.544 -0.582) 1.216 11.566 ( -1.535 -0.127 -0.122) 1.545 12.031 ( 3.181 6.639 1.799) 7.578 12.141 ( 2.860 -4.306 1.453) 5.370 12.256 ( 2.517 1.358 -4.771) 5.563 12.295 ( 1.742 -2.582 -2.675) 4.106 12.717 ( -0.153 2.352 2.617) 3.522 12.790 ( -0.524 -4.916 5.085) 7.092 12.871 ( -1.324 5.829 -1.544) 6.173 13.013 ( -2.382 -8.235 -1.540) 8.710 ======================= Grid point 119 (48/75) ======================= q-point: ( 0.22 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( 17.547 23.737 9.707) 31.074 3.669 ( 15.960 -15.294 5.786) 22.849 3.702 ( 21.372 18.394 5.631) 28.754 4.128 ( 18.781 -18.514 4.174) 26.701 4.224 ( 10.038 14.108 -17.009) 24.271 4.396 ( 5.066 6.880 -13.280) 15.791 4.508 ( 7.279 0.078 -12.699) 14.637 4.684 ( 4.909 -4.350 -1.493) 6.727 4.968 ( 2.984 10.117 6.104) 12.187 5.023 ( 0.629 6.901 10.937) 12.947 5.135 ( -2.156 -4.707 2.143) 5.604 5.187 ( -2.188 -4.055 -1.135) 4.745 5.245 ( -1.079 -1.555 3.642) 4.105 5.314 ( -5.444 -2.553 2.199) 6.403 5.407 ( -5.627 6.861 1.678) 9.031 5.456 ( 3.233 19.217 2.902) 19.702 5.521 ( -2.009 6.954 2.033) 7.519 5.569 ( -0.404 1.985 -0.997) 2.258 5.663 ( -5.406 2.535 3.134) 6.744 5.722 ( -5.397 -8.563 1.662) 10.257 5.787 ( -3.474 -8.161 2.075) 9.109 5.970 ( 1.470 -15.182 0.710) 15.269 6.131 ( 2.832 4.447 -2.227) 5.723 6.225 ( 2.755 -1.746 -10.384) 10.884 6.680 ( 5.435 10.127 -5.292) 12.653 6.716 ( -0.170 4.485 -4.181) 6.135 6.813 ( -0.663 -2.332 -1.357) 2.778 6.899 ( -1.070 -7.202 -2.758) 7.786 7.034 ( -1.677 -0.558 4.092) 4.457 7.048 ( 0.311 0.069 2.653) 2.672 7.163 ( 4.148 6.287 5.358) 9.244 7.316 ( 0.261 -6.355 -2.210) 6.734 7.604 ( 3.395 1.963 0.545) 3.959 7.671 ( 0.104 4.554 1.510) 4.799 7.757 ( -2.102 -7.683 -0.387) 7.974 7.881 ( -3.830 -6.862 -1.859) 8.076 7.912 ( -3.002 0.037 2.317) 3.792 8.016 ( -3.194 -4.528 -2.560) 6.104 8.073 ( -0.399 1.234 -0.975) 1.623 8.161 ( 2.888 -7.446 -0.631) 8.011 8.533 ( -9.730 3.358 1.756) 10.442 8.585 ( -7.833 -1.315 1.926) 8.173 8.676 ( -4.337 4.507 -1.014) 6.337 8.760 ( -1.712 -3.606 -0.993) 4.114 9.003 ( 3.380 3.456 1.209) 4.983 9.065 ( 2.990 -1.469 0.172) 3.336 9.108 ( 1.079 2.743 -0.662) 3.021 9.170 ( 0.915 -2.316 -1.378) 2.846 10.477 ( 4.496 1.699 1.285) 4.975 10.504 ( 3.615 -1.229 1.254) 4.019 10.526 ( 3.704 1.882 0.221) 4.161 10.565 ( 3.407 -2.112 0.054) 4.009 10.846 ( 3.436 1.593 -0.001) 3.788 10.865 ( 4.206 1.174 -0.501) 4.395 10.880 ( 3.727 -1.645 -0.083) 4.074 10.888 ( 4.275 -1.110 -0.129) 4.419 11.351 ( -4.510 2.351 0.455) 5.107 11.383 ( -4.501 -0.892 0.331) 4.601 11.392 ( -5.139 2.630 -0.431) 5.789 11.430 ( -4.383 -1.313 -0.720) 4.632 11.533 ( 1.753 1.974 0.045) 2.640 11.544 ( 2.062 1.628 -0.499) 2.675 11.573 ( 1.981 -0.824 0.245) 2.160 11.580 ( 2.259 -0.756 -0.272) 2.397 12.100 ( 3.339 5.864 1.770) 6.976 12.200 ( 2.550 -4.122 1.237) 5.002 12.298 ( 1.265 0.845 -3.233) 3.573 12.326 ( 0.869 -1.969 -2.556) 3.341 12.713 ( -0.185 1.994 1.996) 2.827 12.774 ( -1.089 -3.716 3.528) 5.238 12.834 ( -2.281 4.194 -1.068) 4.892 12.947 ( -3.990 -6.634 -1.171) 7.830 ======================= Grid point 120 (49/75) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.628 ( 21.441 20.668 6.025) 30.384 4.013 ( 18.295 -17.374 2.393) 25.344 4.107 ( 17.713 19.919 -0.991) 26.674 4.410 ( 9.377 -4.100 -10.102) 14.380 4.460 ( 8.777 4.489 -9.757) 13.871 4.553 ( 10.949 12.388 -3.864) 16.979 4.656 ( 3.664 -4.082 0.009) 5.486 4.763 ( 4.661 -5.501 1.773) 7.425 5.003 ( -2.307 3.943 3.831) 5.962 5.039 ( 3.061 6.817 4.594) 8.772 5.073 ( -4.437 -2.636 -0.185) 5.164 5.139 ( -1.702 -0.729 1.206) 2.210 5.173 ( -7.273 8.703 0.443) 11.351 5.222 ( -2.377 1.046 7.604) 8.035 5.326 ( 0.231 -5.298 2.714) 5.957 5.393 ( -3.587 0.570 -1.151) 3.810 5.527 ( -6.767 -0.419 1.357) 6.915 5.532 ( -4.699 -3.147 -2.322) 6.113 5.565 ( -3.358 -8.071 0.128) 8.743 5.683 ( 0.763 6.231 0.031) 6.278 5.729 ( 2.851 0.551 6.045) 6.706 6.001 ( 1.904 -11.023 0.362) 11.192 6.160 ( -0.721 2.275 0.296) 2.405 6.249 ( -0.833 -4.581 -5.728) 7.382 6.704 ( -3.885 7.155 0.892) 8.191 6.752 ( 3.912 6.368 1.517) 7.626 6.800 ( -0.550 3.105 -0.015) 3.153 6.832 ( -4.217 -3.765 -0.759) 5.704 7.057 ( 2.687 5.143 -2.908) 6.490 7.135 ( 10.652 3.057 -2.900) 11.455 7.274 ( 6.667 -0.941 -0.431) 6.747 7.351 ( 3.646 -1.076 -2.570) 4.589 7.629 ( -1.603 1.361 -2.342) 3.148 7.667 ( -2.979 1.350 0.186) 3.275 7.734 ( -1.426 -3.198 -0.516) 3.540 7.766 ( -5.021 -0.132 -2.763) 5.733 7.876 ( -0.232 3.534 4.418) 5.662 8.008 ( 0.184 -2.757 1.399) 3.097 8.103 ( 4.464 -5.258 2.030) 7.190 8.201 ( -0.101 -9.084 1.402) 9.192 8.359 ( -6.141 0.651 1.205) 6.292 8.410 ( -7.988 -3.708 2.163) 9.068 8.550 ( -7.891 6.065 -3.665) 10.606 8.678 ( -6.175 -6.319 -4.165) 9.767 9.067 ( 3.059 2.590 1.393) 4.243 9.116 ( 1.901 -1.566 1.284) 2.777 9.133 ( 1.238 2.524 -0.168) 2.817 9.185 ( 0.251 -1.980 -0.412) 2.038 10.564 ( 3.873 1.153 1.194) 4.214 10.574 ( 3.134 -0.002 1.207) 3.359 10.592 ( 2.626 1.876 0.578) 3.279 10.627 ( 2.418 -1.509 0.257) 2.862 10.916 ( 3.297 1.840 0.230) 3.783 10.943 ( 3.356 1.423 -0.462) 3.674 10.952 ( 3.206 -1.708 0.187) 3.637 10.967 ( 3.068 -0.921 -0.143) 3.206 11.270 ( -3.143 1.627 -0.021) 3.540 11.296 ( -4.069 2.459 -0.638) 4.797 11.298 ( -3.675 -1.021 -0.135) 3.816 11.344 ( -3.924 -2.127 -1.051) 4.585 11.589 ( 3.636 2.332 0.121) 4.321 11.605 ( 3.619 1.836 -0.462) 4.084 11.630 ( 3.179 -1.070 0.007) 3.355 11.637 ( 3.019 -0.840 -0.182) 3.139 12.159 ( 2.479 4.457 1.562) 5.334 12.237 ( 1.245 -3.473 0.895) 3.797 12.299 ( -1.213 0.698 -1.020) 1.732 12.322 ( -1.109 -1.528 -2.188) 2.890 12.712 ( 0.191 1.116 1.135) 1.603 12.750 ( -1.065 -2.382 1.713) 3.122 12.785 ( -2.452 2.517 -0.627) 3.569 12.861 ( -4.322 -4.567 -0.776) 6.336 ======================= Grid point 121 (50/75) ======================= q-point: ( 0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.058 ( 20.426 17.268 2.202) 26.838 4.353 ( 7.823 -2.181 -3.185) 8.723 4.398 ( 6.640 3.498 -2.914) 8.051 4.446 ( 1.337 6.471 -5.393) 8.529 4.575 ( 2.487 6.434 -1.190) 7.000 4.645 ( -1.267 8.948 -0.547) 9.054 4.695 ( 2.327 -2.775 0.136) 3.624 4.809 ( -5.766 -5.211 0.218) 7.775 4.928 ( -2.149 3.087 1.363) 4.001 4.970 ( -6.548 8.625 2.649) 11.149 5.039 ( 4.826 -2.273 0.442) 5.353 5.132 ( 4.988 2.563 -1.578) 5.826 5.151 ( -1.740 0.189 3.277) 3.715 5.258 ( -4.680 1.036 0.860) 4.870 5.288 ( 3.866 4.905 4.508) 7.702 5.370 ( -2.403 6.222 1.890) 6.933 5.424 ( -0.930 -13.267 -5.682) 14.462 5.470 ( 2.421 -6.390 -0.673) 6.866 5.494 ( -3.685 -12.675 -0.364) 13.205 5.590 ( -6.265 -10.230 -0.501) 12.007 5.896 ( 8.830 8.023 6.405) 13.542 6.040 ( -1.581 -0.221 2.282) 2.785 6.101 ( -1.111 -4.550 3.470) 5.829 6.183 ( -5.104 -6.404 -0.054) 8.189 6.662 ( 0.783 7.141 1.323) 7.304 6.723 ( -4.251 6.318 0.694) 7.647 6.798 ( 1.192 -4.138 -1.835) 4.681 6.833 ( -0.175 -2.469 -0.512) 2.528 7.174 ( 11.807 12.058 0.219) 16.877 7.406 ( 12.173 0.490 -2.548) 12.447 7.438 ( 8.524 2.793 -3.112) 9.494 7.456 ( 6.597 0.690 -2.550) 7.107 7.472 ( -12.652 8.944 -0.506) 15.502 7.581 ( -5.790 2.177 -1.527) 6.371 7.612 ( -7.437 -0.322 -0.641) 7.471 7.649 ( -7.763 -0.233 -4.132) 8.797 7.954 ( 5.828 6.102 5.736) 10.203 8.056 ( 1.089 -3.475 0.157) 3.645 8.118 ( -2.527 -5.623 1.365) 6.314 8.173 ( -0.555 -7.235 1.202) 7.355 8.303 ( -0.838 -1.672 0.901) 2.076 8.372 ( 5.232 -7.496 -0.664) 9.165 8.388 ( -6.564 3.527 -1.478) 7.596 8.529 ( -8.165 -8.697 -3.923) 12.557 9.125 ( 2.459 1.203 1.046) 2.931 9.143 ( 0.850 -0.179 0.876) 1.234 9.150 ( 0.358 1.033 0.468) 1.189 9.174 ( -1.300 -0.955 0.193) 1.625 10.618 ( 1.402 1.280 1.297) 2.299 10.623 ( 1.097 1.755 0.824) 2.228 10.633 ( 1.862 0.197 0.886) 2.071 10.653 ( 0.103 -0.850 0.526) 1.005 10.973 ( 2.272 1.676 0.361) 2.846 10.994 ( 1.490 0.874 -0.111) 1.731 10.998 ( 0.718 -0.261 0.191) 0.787 10.999 ( 0.539 -0.105 0.198) 0.584 11.230 ( -1.002 0.604 -0.284) 1.204 11.235 ( -1.744 1.801 -0.598) 2.577 11.252 ( -0.424 -1.560 -0.819) 1.812 11.277 ( -2.546 -2.374 -1.151) 3.667 11.659 ( 2.710 1.715 -0.105) 3.209 11.670 ( 2.284 1.104 -0.436) 2.574 11.679 ( 1.078 0.161 -0.301) 1.131 11.683 ( 1.107 -0.175 -0.271) 1.153 12.205 ( 2.326 2.724 1.151) 3.763 12.255 ( -1.775 0.653 0.327) 1.919 12.260 ( 0.312 -1.996 0.366) 2.053 12.290 ( -1.828 -1.971 -0.888) 2.831 12.723 ( 0.782 0.319 0.571) 1.020 12.741 ( 0.464 -1.536 0.131) 1.610 12.743 ( -1.382 1.141 -0.199) 1.803 12.783 ( -3.205 -2.574 -0.459) 4.136 ======================= Grid point 162 (51/75) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 0.000 0.000 33.580) 33.580 1.413 ( 0.000 0.000 38.040) 38.040 1.843 ( 0.000 0.000 -28.641) 28.641 2.085 ( 0.000 0.000 -36.193) 36.193 2.534 ( 0.000 0.000 62.853) 62.853 3.647 ( 0.000 0.000 -58.345) 58.345 3.758 ( 0.000 0.000 17.665) 17.665 4.036 ( 0.000 0.000 -12.845) 12.845 4.222 ( 0.000 0.000 16.344) 16.344 4.351 ( 0.000 0.000 2.289) 2.289 4.935 ( 0.000 0.000 10.670) 10.670 4.985 ( 0.000 0.000 -3.400) 3.400 5.069 ( 0.000 0.000 -11.913) 11.913 5.135 ( 0.000 0.000 11.099) 11.099 5.151 ( 0.000 0.000 -12.537) 12.537 5.337 ( 0.000 0.000 -10.049) 10.049 5.540 ( 0.000 0.000 6.689) 6.689 5.697 ( 0.000 0.000 -9.755) 9.755 5.968 ( 0.000 0.000 2.026) 2.026 5.993 ( 0.000 0.000 -0.946) 0.946 6.509 ( 0.000 0.000 2.934) 2.934 6.514 ( 0.000 0.000 2.310) 2.310 6.580 ( 0.000 0.000 10.805) 10.805 6.746 ( 0.000 0.000 9.856) 9.856 6.761 ( 0.000 0.000 -8.816) 8.816 6.849 ( 0.000 0.000 -2.795) 2.795 7.016 ( 0.000 0.000 4.962) 4.962 7.091 ( 0.000 0.000 -4.529) 4.529 7.343 ( 0.000 0.000 5.555) 5.555 7.419 ( 0.000 0.000 14.171) 14.171 7.469 ( 0.000 0.000 -6.068) 6.068 7.626 ( 0.000 0.000 6.992) 6.992 7.714 ( 0.000 0.000 -16.047) 16.047 7.761 ( 0.000 0.000 -8.491) 8.491 7.871 ( 0.000 0.000 4.835) 4.835 7.910 ( 0.000 0.000 3.366) 3.366 7.961 ( 0.000 0.000 -4.908) 4.908 7.978 ( 0.000 0.000 -3.358) 3.358 8.298 ( 0.000 0.000 3.019) 3.019 8.376 ( 0.000 0.000 -5.290) 5.290 8.669 ( 0.000 0.000 2.955) 2.955 8.703 ( 0.000 0.000 -0.850) 0.850 8.784 ( 0.000 0.000 7.303) 7.303 8.830 ( 0.000 0.000 0.971) 0.971 8.846 ( 0.000 0.000 -0.758) 0.758 8.900 ( 0.000 0.000 -5.552) 5.552 8.982 ( 0.000 0.000 6.526) 6.526 9.093 ( 0.000 0.000 -5.383) 5.383 10.107 ( 0.000 0.000 4.744) 4.744 10.197 ( 0.000 0.000 -4.892) 4.892 10.703 ( 0.000 0.000 1.409) 1.409 10.721 ( 0.000 0.000 -0.257) 0.257 10.793 ( 0.000 0.000 0.704) 0.704 10.817 ( 0.000 0.000 -1.680) 1.680 10.924 ( 0.000 0.000 -0.156) 0.156 10.927 ( 0.000 0.000 -0.463) 0.463 11.043 ( 0.000 0.000 2.012) 2.012 11.067 ( 0.000 0.000 -0.457) 0.457 11.278 ( 0.000 0.000 1.020) 1.020 11.298 ( 0.000 0.000 -1.201) 1.201 11.381 ( 0.000 0.000 2.200) 2.200 11.428 ( 0.000 0.000 -2.740) 2.740 11.572 ( 0.000 0.000 2.284) 2.284 11.603 ( 0.000 0.000 0.302) 0.302 11.605 ( 0.000 0.000 -1.316) 1.316 11.609 ( 0.000 0.000 -0.417) 0.417 12.187 ( 0.000 0.000 5.309) 5.309 12.296 ( 0.000 0.000 -6.333) 6.333 12.710 ( 0.000 0.000 1.609) 1.609 12.737 ( 0.000 0.000 -1.243) 1.243 13.743 ( 0.000 0.000 5.387) 5.387 13.841 ( 0.000 0.000 -5.139) 5.139 ======================= Grid point 163 (52/75) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 21.202 0.000 28.131) 35.226 1.804 ( 29.616 0.000 24.742) 38.591 2.042 ( 18.849 0.000 -22.694) 29.501 2.381 ( 25.590 0.000 -30.245) 39.618 2.760 ( 24.051 0.000 56.372) 61.289 3.780 ( 13.542 0.000 -54.365) 56.026 3.841 ( 8.085 0.000 17.150) 18.960 4.107 ( 6.965 0.000 -11.624) 13.551 4.296 ( 6.910 0.000 12.820) 14.564 4.382 ( 3.165 0.000 2.903) 4.295 4.935 ( 1.297 0.000 -0.899) 1.578 4.977 ( -3.865 0.000 -8.247) 9.108 5.088 ( -3.776 0.000 11.028) 11.657 5.125 ( 10.370 0.000 7.039) 12.534 5.289 ( -2.931 0.000 -9.751) 10.181 5.321 ( 7.074 0.000 -10.021) 12.266 5.477 ( -3.615 0.000 2.849) 4.603 5.617 ( -7.411 0.000 -9.872) 12.344 5.923 ( -4.319 0.000 2.019) 4.768 5.947 ( -4.337 0.000 -0.818) 4.413 6.456 ( -5.627 0.000 4.054) 6.935 6.463 ( -4.391 0.000 5.693) 7.189 6.538 ( -4.800 0.000 4.682) 6.706 6.682 ( -7.058 0.000 -8.566) 11.099 6.754 ( 0.865 0.000 8.600) 8.644 6.849 ( 0.003 0.000 -2.849) 2.849 6.900 ( -10.412 0.000 6.061) 12.048 7.008 ( -7.936 0.000 -6.396) 10.193 7.297 ( -3.076 0.000 7.942) 8.517 7.422 ( -5.160 0.000 -5.518) 7.554 7.467 ( 0.183 0.000 9.624) 9.626 7.646 ( -8.889 0.000 -3.429) 9.527 7.669 ( 3.829 0.000 8.027) 8.893 7.704 ( -5.070 0.000 2.124) 5.497 7.752 ( -0.118 0.000 -8.169) 8.170 7.835 ( 5.892 0.000 -9.303) 11.012 8.124 ( 5.372 0.000 -0.412) 5.388 8.125 ( 5.182 0.000 -0.555) 5.212 8.378 ( 6.649 0.000 0.475) 6.666 8.421 ( 3.792 0.000 -3.890) 5.432 8.579 ( -12.027 0.000 4.007) 12.677 8.640 ( -10.835 0.000 -2.151) 11.047 8.704 ( 2.503 0.000 2.112) 3.275 8.732 ( 2.483 0.000 -1.356) 2.829 8.890 ( -0.163 0.000 8.784) 8.785 9.017 ( 3.487 0.000 -4.538) 5.723 9.058 ( 5.904 0.000 0.736) 5.950 9.084 ( 0.563 0.000 -2.627) 2.687 10.145 ( 3.907 0.000 4.329) 5.832 10.228 ( 3.199 0.000 -4.573) 5.581 10.696 ( -2.412 0.000 0.918) 2.581 10.714 ( -0.871 0.000 -1.345) 1.602 10.792 ( 0.050 0.000 0.064) 0.081 10.800 ( -0.641 0.000 -0.763) 0.996 10.967 ( 3.760 0.000 0.209) 3.766 10.974 ( 4.162 0.000 -0.577) 4.201 11.048 ( 0.268 0.000 1.885) 1.904 11.074 ( 0.250 0.000 -0.801) 0.839 11.296 ( 1.847 0.000 1.499) 2.379 11.317 ( 1.828 0.000 -0.843) 2.013 11.380 ( 0.086 0.000 1.612) 1.614 11.416 ( -0.440 0.000 -1.877) 1.928 11.606 ( 0.320 0.000 0.254) 0.409 11.610 ( 0.294 0.000 -0.338) 0.447 11.644 ( 6.305 0.000 4.490) 7.740 11.751 ( 10.675 0.000 -7.845) 13.248 12.253 ( 6.188 0.000 4.847) 7.861 12.356 ( 5.560 0.000 -6.258) 8.371 12.690 ( -1.979 0.000 1.940) 2.771 12.723 ( -1.325 0.000 -1.608) 2.083 13.637 ( -9.802 0.000 3.810) 10.517 13.682 ( -13.572 0.000 -0.146) 13.573 ======================= Grid point 164 (53/75) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 30.873 0.000 20.839) 37.248 2.384 ( 28.590 0.000 8.796) 29.913 2.496 ( 23.846 0.000 -1.577) 23.899 2.941 ( 27.208 0.000 -25.720) 37.441 3.499 ( 45.132 0.000 33.583) 56.256 4.072 ( 14.365 0.000 15.479) 21.117 4.191 ( 25.228 0.000 -38.878) 46.346 4.304 ( 12.464 0.000 -9.294) 15.547 4.475 ( 10.355 0.000 4.139) 11.152 4.477 ( 5.584 0.000 3.532) 6.608 4.856 ( -9.122 0.000 6.477) 11.187 4.907 ( -4.681 0.000 -4.704) 6.636 5.075 ( -0.455 0.000 -1.338) 1.413 5.120 ( -12.386 0.000 0.454) 12.394 5.298 ( 2.854 0.000 3.615) 4.606 5.326 ( 0.501 0.000 -6.243) 6.263 5.515 ( 4.344 0.000 -2.310) 4.920 5.620 ( 11.429 0.000 -9.767) 15.034 5.806 ( -6.405 0.000 2.352) 6.824 5.832 ( -6.520 0.000 -0.747) 6.562 6.270 ( -12.812 0.000 6.945) 14.573 6.358 ( -6.008 0.000 7.608) 9.694 6.375 ( -11.028 0.000 -3.498) 11.569 6.517 ( -8.589 0.000 -8.527) 12.103 6.639 ( -14.363 0.000 8.695) 16.790 6.782 ( 1.736 0.000 5.294) 5.572 6.797 ( -12.216 0.000 -8.592) 14.935 6.848 ( -0.037 0.000 -2.430) 2.430 7.194 ( -7.762 0.000 2.793) 8.249 7.235 ( -11.455 0.000 -2.575) 11.741 7.421 ( -0.728 0.000 10.322) 10.348 7.562 ( -0.739 0.000 -1.894) 2.033 7.723 ( 3.397 0.000 1.803) 3.846 7.778 ( 6.210 0.000 9.756) 11.565 7.785 ( 1.869 0.000 -6.650) 6.907 7.941 ( 2.791 0.000 -7.241) 7.760 8.156 ( -2.185 0.000 0.680) 2.288 8.175 ( -0.978 0.000 -1.540) 1.824 8.262 ( -10.967 0.000 1.492) 11.068 8.306 ( -12.790 0.000 -3.076) 13.154 8.582 ( 7.685 0.000 1.066) 7.758 8.622 ( 6.832 0.000 -2.698) 7.345 8.770 ( 3.449 0.000 1.970) 3.972 8.796 ( 3.246 0.000 -1.092) 3.424 8.897 ( 1.470 0.000 6.760) 6.918 9.008 ( -1.676 0.000 -5.227) 5.489 9.128 ( 1.424 0.000 1.146) 1.828 9.146 ( 2.382 0.000 -0.786) 2.508 10.256 ( 6.556 0.000 3.325) 7.351 10.322 ( 5.656 0.000 -3.715) 6.767 10.641 ( -2.675 0.000 1.099) 2.892 10.665 ( -3.154 0.000 -1.509) 3.497 10.797 ( 0.654 0.000 -0.047) 0.655 10.802 ( 0.678 0.000 -0.561) 0.880 11.031 ( -0.945 0.000 0.795) 1.235 11.039 ( 0.945 0.000 -0.071) 0.948 11.079 ( 2.303 0.000 -0.026) 2.303 11.081 ( 4.980 0.000 -0.364) 4.993 11.340 ( 1.638 0.000 3.154) 3.554 11.372 ( 3.577 0.000 -0.254) 3.586 11.398 ( 2.267 0.000 -0.339) 2.292 11.413 ( -0.025 0.000 -1.980) 1.980 11.615 ( 0.559 0.000 0.003) 0.559 11.618 ( 0.424 0.000 -0.335) 0.540 11.790 ( 7.652 0.000 6.780) 10.224 11.945 ( 8.195 0.000 -10.504) 13.322 12.402 ( 7.303 0.000 3.426) 8.066 12.480 ( 5.202 0.000 -5.110) 7.292 12.633 ( -3.226 0.000 3.125) 4.492 12.689 ( -1.510 0.000 -2.924) 3.291 13.385 ( -14.525 0.000 3.402) 14.918 13.392 ( -13.351 0.000 1.710) 13.460 ======================= Grid point 165 (54/75) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 33.024 0.000 15.871) 36.640 2.955 ( 26.783 0.000 26.921) 37.975 3.010 ( 28.448 0.000 -17.741) 33.526 3.443 ( 22.937 0.000 -24.653) 33.673 4.261 ( 16.148 0.000 14.731) 21.857 4.328 ( -1.439 0.000 10.583) 10.681 4.378 ( -8.597 0.000 0.646) 8.621 4.587 ( 17.503 0.000 9.878) 20.099 4.619 ( -1.553 0.000 -18.549) 18.614 4.695 ( 9.854 0.000 -0.750) 9.883 4.791 ( 7.592 0.000 1.940) 7.836 4.871 ( 13.042 0.000 -5.859) 14.297 4.917 ( -6.655 0.000 -0.107) 6.655 4.979 ( 6.509 0.000 -8.455) 10.670 5.398 ( 5.555 0.000 1.189) 5.681 5.464 ( 11.821 0.000 -7.968) 14.256 5.617 ( -6.784 0.000 2.029) 7.081 5.653 ( 1.283 0.000 -2.190) 2.538 5.798 ( 8.693 0.000 4.380) 9.735 5.878 ( 8.277 0.000 -2.962) 8.791 5.969 ( -15.506 0.000 7.770) 17.344 6.101 ( -14.972 0.000 -6.398) 16.282 6.229 ( -7.286 0.000 4.614) 8.625 6.340 ( -9.338 0.000 -6.755) 11.525 6.384 ( -8.126 0.000 9.060) 12.171 6.553 ( -10.717 0.000 -9.005) 13.998 6.822 ( 2.147 0.000 1.896) 2.865 6.849 ( 0.260 0.000 -1.283) 1.309 7.021 ( -9.495 0.000 -0.773) 9.527 7.027 ( -7.982 0.000 -1.223) 8.076 7.405 ( -5.113 0.000 6.760) 8.476 7.454 ( -15.681 0.000 0.959) 15.711 7.782 ( -0.908 0.000 2.317) 2.488 7.791 ( 2.242 0.000 3.378) 4.054 7.814 ( -3.710 0.000 1.532) 4.014 7.896 ( -1.512 0.000 -5.046) 5.267 8.050 ( -0.817 0.000 3.483) 3.578 8.134 ( 1.894 0.000 -5.108) 5.448 8.171 ( -2.899 0.000 2.920) 4.114 8.228 ( 0.537 0.000 -3.324) 3.367 8.706 ( 4.672 0.000 0.727) 4.729 8.740 ( 4.053 0.000 -2.580) 4.804 8.833 ( 2.502 0.000 0.721) 2.604 8.846 ( 1.568 0.000 -0.858) 1.787 8.950 ( 3.488 0.000 2.960) 4.575 8.994 ( 0.607 0.000 -1.825) 1.924 9.119 ( -2.013 0.000 2.159) 2.952 9.153 ( -1.499 0.000 -1.505) 2.125 10.384 ( 5.773 0.000 2.391) 6.249 10.433 ( 4.900 0.000 -2.787) 5.637 10.594 ( -1.959 0.000 0.356) 1.991 10.603 ( -2.880 0.000 -0.600) 2.942 10.824 ( 2.026 0.000 -0.021) 2.026 10.828 ( 1.896 0.000 -0.447) 1.948 10.991 ( -2.599 0.000 0.603) 2.668 11.004 ( -2.817 0.000 -0.755) 2.916 11.166 ( 4.818 0.000 1.479) 5.040 11.190 ( 5.480 0.000 -1.143) 5.598 11.347 ( -0.594 0.000 3.374) 3.426 11.403 ( -0.915 0.000 -2.617) 2.772 11.457 ( 4.455 0.000 0.585) 4.493 11.472 ( 4.399 0.000 -1.003) 4.512 11.622 ( -0.135 0.000 -0.251) 0.285 11.623 ( 0.080 0.000 -0.365) 0.374 11.946 ( 7.933 0.000 6.946) 10.545 12.092 ( 6.854 0.000 -9.052) 11.354 12.444 ( -4.789 0.000 2.313) 5.318 12.497 ( -3.766 0.000 -3.315) 5.017 12.639 ( 5.279 0.000 3.935) 6.584 12.709 ( 3.748 0.000 -3.762) 5.310 13.125 ( -11.136 0.000 2.623) 11.441 13.135 ( -11.723 0.000 1.085) 11.773 ======================= Grid point 166 (55/75) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( 31.143 0.000 12.343) 33.500 3.475 ( 25.138 0.000 21.007) 32.760 3.596 ( 27.632 0.000 -13.472) 30.741 3.818 ( 1.989 0.000 -7.148) 7.419 3.985 ( -21.300 0.000 16.912) 27.197 4.045 ( -7.252 0.000 -6.712) 9.881 4.147 ( -21.771 0.000 -8.112) 23.233 4.338 ( -18.289 0.000 -18.726) 26.175 4.874 ( 13.126 0.000 5.636) 14.285 4.947 ( 12.112 0.000 -2.473) 12.362 5.044 ( 4.920 0.000 6.822) 8.411 5.078 ( 11.316 0.000 4.391) 12.138 5.098 ( 2.251 0.000 -0.341) 2.277 5.233 ( 13.450 0.000 -10.918) 17.324 5.366 ( -9.972 0.000 6.011) 11.644 5.476 ( -5.261 0.000 -4.015) 6.618 5.694 ( 1.487 0.000 1.019) 1.803 5.763 ( 4.112 0.000 -3.062) 5.127 5.797 ( 7.238 0.000 3.440) 8.014 5.836 ( -10.645 0.000 2.793) 11.006 5.941 ( 6.723 0.000 2.318) 7.111 5.984 ( 5.379 0.000 -0.327) 5.389 6.112 ( -6.627 0.000 1.537) 6.803 6.150 ( -8.944 0.000 -3.265) 9.521 6.467 ( 7.121 0.000 -2.462) 7.534 6.467 ( 17.458 0.000 -3.099) 17.731 6.809 ( -15.475 0.000 0.389) 15.480 6.816 ( -9.212 0.000 0.040) 9.212 6.874 ( 2.224 0.000 0.661) 2.321 6.918 ( 1.947 0.000 -4.503) 4.906 7.025 ( -17.627 0.000 4.407) 18.170 7.117 ( -17.959 0.000 -5.395) 18.752 7.795 ( 3.180 0.000 6.248) 7.010 7.826 ( 3.582 0.000 1.752) 3.988 7.838 ( 0.166 0.000 2.290) 2.296 7.882 ( -1.477 0.000 -1.541) 2.134 8.086 ( 1.768 0.000 4.659) 4.983 8.119 ( -2.095 0.000 5.280) 5.680 8.181 ( 2.300 0.000 -5.612) 6.065 8.220 ( -1.382 0.000 -5.391) 5.565 8.790 ( 3.847 0.000 -0.359) 3.864 8.799 ( 2.634 0.000 -1.254) 2.918 8.848 ( -1.294 0.000 -0.235) 1.315 8.848 ( -1.573 0.000 -0.374) 1.617 9.024 ( 2.044 0.000 0.581) 2.125 9.027 ( 3.865 0.000 0.347) 3.881 9.069 ( -2.463 0.000 2.071) 3.218 9.100 ( -3.355 0.000 -1.286) 3.593 10.481 ( 3.867 0.000 1.452) 4.131 10.511 ( 2.927 0.000 -1.788) 3.430 10.547 ( -2.875 0.000 0.444) 2.910 10.557 ( -1.880 0.000 -0.707) 2.009 10.876 ( 2.751 0.000 -0.139) 2.755 10.876 ( 3.056 0.000 -0.222) 3.064 10.934 ( -2.971 0.000 0.234) 2.981 10.941 ( -3.272 0.000 -0.532) 3.315 11.256 ( 3.945 0.000 2.221) 4.527 11.293 ( 4.574 0.000 -1.763) 4.903 11.319 ( -2.249 0.000 2.874) 3.650 11.367 ( -2.734 0.000 -2.312) 3.580 11.544 ( 3.868 0.000 0.385) 3.887 11.556 ( 3.634 0.000 -0.919) 3.749 11.604 ( -1.910 0.000 0.010) 1.910 11.610 ( -1.631 0.000 -0.682) 1.768 12.114 ( 8.779 0.000 5.901) 10.578 12.232 ( 7.166 0.000 -6.939) 9.975 12.294 ( -8.830 0.000 4.259) 9.803 12.378 ( -7.090 0.000 -4.816) 8.571 12.771 ( 7.167 0.000 2.192) 7.495 12.806 ( 5.568 0.000 -1.511) 5.769 12.929 ( -8.791 0.000 1.337) 8.892 12.937 ( -7.692 0.000 0.672) 7.721 ======================= Grid point 171 (56/75) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.000 19.909 33.169) 38.685 1.726 ( 0.000 35.885 26.307) 44.495 2.192 ( 0.000 30.865 -23.242) 38.638 2.237 ( 0.000 14.645 -33.825) 36.860 2.724 ( 0.000 20.330 55.214) 58.838 3.750 ( 0.000 10.789 -54.356) 55.416 3.940 ( 0.000 17.277 15.897) 23.478 4.203 ( 0.000 15.917 -12.284) 20.105 4.277 ( 0.000 5.020 13.940) 14.817 4.344 ( 0.000 -1.223 5.470) 5.605 4.864 ( 0.000 -7.025 10.929) 12.992 5.011 ( 0.000 3.009 -6.055) 6.762 5.042 ( 0.000 -2.274 -9.909) 10.167 5.087 ( 0.000 -6.380 -13.121) 14.590 5.160 ( 0.000 2.012 9.652) 9.859 5.345 ( 0.000 0.469 -9.590) 9.601 5.547 ( 0.000 0.871 7.464) 7.514 5.705 ( 0.000 0.794 -9.338) 9.372 5.940 ( 0.000 -3.013 1.518) 3.374 5.959 ( 0.000 -3.115 -0.553) 3.163 6.398 ( 0.000 -9.202 3.821) 9.964 6.434 ( 0.000 -7.784 -0.112) 7.784 6.477 ( 0.000 -8.957 9.006) 12.702 6.593 ( 0.000 -9.616 -2.405) 9.913 6.819 ( 0.000 -0.132 4.314) 4.316 6.854 ( 0.000 0.585 -0.807) 0.997 6.978 ( 0.000 -1.406 7.527) 7.657 7.112 ( 0.000 0.217 -7.120) 7.124 7.345 ( 0.000 -6.828 11.532) 13.402 7.420 ( 0.000 6.192 6.875) 9.252 7.549 ( 0.000 6.640 -5.387) 8.551 7.564 ( 0.000 -6.290 -4.173) 7.548 7.655 ( 0.000 -3.504 -1.194) 3.702 7.763 ( 0.000 -1.171 -7.384) 7.476 7.855 ( 0.000 -5.000 1.999) 5.385 7.918 ( 0.000 -5.963 -3.788) 7.065 7.929 ( 0.000 4.272 0.651) 4.321 7.975 ( 0.000 2.060 -3.441) 4.010 8.327 ( 0.000 2.344 3.446) 4.168 8.402 ( 0.000 2.150 -4.569) 5.050 8.672 ( 0.000 0.139 2.754) 2.758 8.702 ( 0.000 -0.564 -0.602) 0.825 8.772 ( 0.000 -0.960 8.389) 8.444 8.812 ( 0.000 -1.636 0.467) 1.701 8.824 ( 0.000 -1.331 -0.630) 1.473 8.904 ( 0.000 0.002 -5.706) 5.706 8.975 ( 0.000 0.091 5.474) 5.474 9.078 ( 0.000 -1.034 -5.040) 5.145 10.144 ( 0.000 3.605 4.144) 5.492 10.221 ( 0.000 2.383 -4.094) 4.737 10.677 ( 0.000 -2.720 1.628) 3.170 10.703 ( 0.000 -2.014 -1.080) 2.285 10.779 ( 0.000 -1.079 1.279) 1.673 10.806 ( 0.000 -0.851 -1.523) 1.744 10.872 ( 0.000 -3.557 0.187) 3.562 10.879 ( 0.000 -3.336 -0.599) 3.390 11.114 ( 0.000 6.714 1.484) 6.877 11.139 ( 0.000 5.976 -1.190) 6.093 11.295 ( 0.000 1.776 1.235) 2.163 11.320 ( 0.000 2.125 -1.393) 2.541 11.509 ( 0.000 8.787 2.189) 9.056 11.566 ( 0.000 5.763 -3.482) 6.733 11.570 ( 0.000 -0.171 2.167) 2.174 11.602 ( 0.000 -0.265 -1.316) 1.342 11.602 ( 0.000 0.744 0.866) 1.141 11.635 ( 0.000 7.654 -3.961) 8.618 12.198 ( 0.000 1.046 5.087) 5.194 12.303 ( 0.000 0.509 -5.977) 5.998 12.707 ( 0.000 -0.184 1.295) 1.308 12.729 ( 0.000 -0.670 -1.044) 1.240 13.637 ( 0.000 -10.645 4.790) 11.673 13.690 ( 0.000 -12.274 -0.565) 12.287 ======================= Grid point 172 (57/75) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 16.690 28.864 22.989) 40.499 1.971 ( 24.040 16.328 25.921) 38.941 2.336 ( 14.580 25.880 -22.283) 37.133 2.522 ( 23.387 14.082 -27.613) 38.830 2.951 ( 23.806 19.990 49.814) 58.718 3.886 ( 13.816 11.090 -49.607) 52.676 4.002 ( 6.220 15.118 14.828) 22.071 4.246 ( 4.403 11.997 -9.304) 15.807 4.350 ( 6.480 5.043 9.691) 12.702 4.382 ( 4.039 0.744 4.047) 5.766 4.914 ( 3.716 -3.335 2.280) 5.488 4.953 ( -2.152 -1.939 -6.269) 6.905 5.099 ( 0.935 0.526 5.457) 5.561 5.115 ( 2.954 0.815 5.964) 6.706 5.266 ( 7.839 -4.009 -11.458) 14.450 5.313 ( -1.101 0.327 -9.772) 9.840 5.478 ( -5.342 0.686 5.756) 7.883 5.630 ( -6.826 1.283 -9.438) 11.719 5.892 ( -4.664 -3.197 1.518) 5.854 5.911 ( -4.507 -3.219 -0.605) 5.571 6.356 ( -4.162 -8.724 6.015) 11.385 6.412 ( -2.291 -6.019 0.654) 6.473 6.451 ( -3.160 -7.608 4.752) 9.510 6.546 ( -4.772 -9.006 -3.365) 10.733 6.779 ( -3.419 -1.266 4.761) 5.996 6.813 ( -3.825 -0.751 -0.636) 3.950 6.926 ( -4.962 0.646 5.092) 7.139 7.030 ( -7.387 1.453 -6.080) 9.677 7.298 ( -2.935 -2.771 10.792) 11.522 7.410 ( -4.345 0.447 2.024) 4.814 7.522 ( -1.733 4.742 -1.681) 5.321 7.584 ( 1.925 -6.010 -2.580) 6.818 7.599 ( -6.424 -2.800 1.309) 7.128 7.650 ( -7.573 -4.091 -0.601) 8.628 7.836 ( 1.617 4.452 -2.932) 5.571 7.869 ( 6.176 1.690 -5.103) 8.188 8.075 ( 4.650 -4.121 -0.631) 6.245 8.083 ( 4.883 -3.735 -1.593) 6.351 8.395 ( 5.338 1.643 1.485) 5.779 8.441 ( 3.045 1.739 -3.249) 4.780 8.588 ( -11.760 0.630 3.677) 12.337 8.636 ( -10.120 -0.826 -1.178) 10.222 8.702 ( 2.599 -0.326 2.425) 3.570 8.743 ( 2.194 1.134 -2.267) 3.353 8.864 ( 0.920 -1.786 7.619) 7.880 8.976 ( 2.246 -3.105 -4.148) 5.647 9.063 ( 5.620 0.412 0.804) 5.692 9.095 ( 2.253 0.576 -2.516) 3.426 10.182 ( 3.819 3.613 3.755) 6.461 10.253 ( 3.180 2.458 -3.749) 5.496 10.672 ( -1.392 -2.322 1.462) 3.077 10.701 ( -0.886 -1.623 -1.740) 2.539 10.780 ( 0.709 -0.998 0.052) 1.225 10.785 ( -0.008 -1.095 -0.384) 1.160 10.924 ( 4.215 -3.228 0.509) 5.334 10.933 ( 3.933 -2.729 -0.374) 4.802 11.107 ( -0.719 5.708 1.353) 5.910 11.131 ( -0.829 4.933 -1.138) 5.130 11.314 ( 1.707 1.798 1.331) 2.814 11.338 ( 1.840 2.057 -1.303) 3.052 11.448 ( -2.900 4.157 0.875) 5.143 11.469 ( -3.462 3.502 -1.172) 5.062 11.600 ( 0.336 -0.613 0.175) 0.721 11.604 ( 0.282 -0.567 -0.296) 0.699 11.682 ( 6.985 4.279 5.477) 9.854 11.812 ( 9.991 6.033 -9.540) 15.074 12.260 ( 5.642 0.577 4.577) 7.288 12.356 ( 4.794 -0.138 -5.701) 7.451 12.691 ( -1.537 0.181 1.436) 2.111 12.717 ( -1.139 -0.526 -1.318) 1.820 13.538 ( -9.207 -9.757 4.865) 14.270 13.580 ( -9.643 -8.596 0.299) 12.921 ======================= Grid point 173 (58/75) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 25.785 22.443 18.532) 38.884 2.494 ( 26.658 10.028 20.828) 35.285 2.703 ( 20.770 19.851 -13.463) 31.729 3.031 ( 24.936 8.806 -25.214) 36.539 3.660 ( 42.756 16.169 31.321) 55.412 4.181 ( 11.653 10.071 14.090) 20.874 4.301 ( 23.775 10.467 -34.011) 42.797 4.379 ( 9.968 4.884 -7.069) 13.161 4.483 ( 5.661 3.518 3.956) 7.751 4.526 ( 9.257 4.163 -1.017) 10.201 4.893 ( -8.113 3.371 5.851) 10.556 4.904 ( -3.586 0.302 -1.384) 3.855 5.084 ( 1.208 0.300 -0.730) 1.442 5.152 ( -8.566 2.133 -2.744) 9.244 5.279 ( 1.828 -0.841 5.942) 6.274 5.334 ( 2.206 0.731 -4.110) 4.721 5.522 ( 1.710 1.085 -5.893) 6.232 5.569 ( 10.714 -4.808 -8.616) 14.565 5.770 ( -6.347 -3.110 1.989) 7.343 5.796 ( -5.922 -3.120 -1.035) 6.773 6.220 ( -9.781 -6.058 6.993) 13.464 6.322 ( -9.704 -4.541 1.219) 10.783 6.344 ( -4.613 -3.137 -0.253) 5.584 6.419 ( -6.973 -5.774 -2.677) 9.441 6.659 ( -9.538 -0.300 3.906) 10.311 6.718 ( -5.378 -2.307 -0.940) 5.927 6.831 ( -3.328 -1.620 0.940) 3.819 6.867 ( -6.897 2.892 -3.682) 8.337 7.199 ( -8.446 -0.227 3.542) 9.162 7.234 ( -11.357 -0.113 -1.274) 11.428 7.420 ( -2.304 0.967 8.758) 9.107 7.542 ( -0.158 -1.533 0.779) 1.727 7.635 ( 2.298 -7.424 -0.085) 7.771 7.654 ( 4.208 -6.165 -2.541) 7.885 7.896 ( 2.146 4.742 1.469) 5.408 7.970 ( 0.886 1.619 -4.757) 5.102 8.126 ( 0.549 -4.536 -0.147) 4.571 8.138 ( 0.535 -2.944 -1.373) 3.292 8.285 ( -11.136 2.827 1.985) 11.659 8.335 ( -11.521 2.615 -3.128) 12.221 8.556 ( 5.762 -2.223 1.681) 6.401 8.598 ( 5.293 -2.336 -2.248) 6.207 8.756 ( 2.057 -1.367 3.116) 3.977 8.803 ( 2.718 0.329 -2.008) 3.395 8.896 ( 2.819 0.060 5.090) 5.819 8.985 ( -0.114 -1.891 -4.350) 4.745 9.140 ( 1.888 1.048 0.760) 2.290 9.153 ( 2.331 0.438 -0.613) 2.449 10.288 ( 6.161 3.095 2.890) 7.476 10.343 ( 5.307 2.117 -2.941) 6.426 10.634 ( -1.964 -0.787 1.391) 2.532 10.663 ( -2.294 -0.420 -1.730) 2.904 10.803 ( 1.306 0.387 -0.096) 1.365 10.806 ( 1.441 0.323 -0.433) 1.539 11.008 ( 2.764 -2.320 0.431) 3.635 11.013 ( 3.252 -2.988 -0.053) 4.417 11.091 ( 0.012 3.502 1.333) 3.747 11.115 ( 0.169 2.986 -1.186) 3.217 11.349 ( 1.038 0.953 2.441) 2.818 11.389 ( 2.587 1.102 -1.731) 3.302 11.424 ( 0.636 2.031 0.200) 2.138 11.435 ( 0.350 1.808 -0.978) 2.086 11.610 ( 0.651 -0.477 0.041) 0.807 11.613 ( 0.636 -0.439 -0.300) 0.829 11.827 ( 7.228 3.645 7.005) 10.705 11.983 ( 7.149 3.575 -10.374) 13.096 12.389 ( 5.932 -1.222 2.953) 6.738 12.451 ( 3.088 -2.485 -3.573) 5.336 12.654 ( -1.625 1.627 1.643) 2.827 12.692 ( -0.781 0.243 -2.331) 2.470 13.312 ( -12.017 -6.274 4.822) 14.388 13.351 ( -12.248 -4.624 0.138) 13.093 ======================= Grid point 174 (59/75) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 29.181 14.846 15.529) 36.236 3.033 ( 26.578 8.120 23.426) 36.347 3.166 ( 25.176 14.820 -15.869) 33.246 3.500 ( 21.929 5.790 -23.938) 32.976 4.352 ( 3.463 6.983 15.183) 17.067 4.380 ( 3.296 6.056 7.620) 10.277 4.445 ( -8.228 6.557 1.124) 10.581 4.574 ( 16.282 -0.554 6.455) 17.524 4.643 ( -0.852 0.974 -13.322) 13.384 4.716 ( 1.507 3.554 -4.738) 6.112 4.829 ( 9.653 4.383 3.681) 11.223 4.901 ( 13.991 4.449 -1.497) 14.757 4.999 ( -1.113 5.480 -0.574) 5.622 5.074 ( 7.006 7.753 -8.273) 13.328 5.366 ( 3.929 -2.807 3.151) 5.766 5.468 ( 8.886 -0.019 -8.832) 12.529 5.585 ( -1.562 -2.066 2.638) 3.697 5.651 ( 2.470 0.416 -4.710) 5.335 5.765 ( 10.030 -2.624 4.980) 11.501 5.849 ( 6.883 -1.918 -2.187) 7.472 5.982 ( -11.196 -0.855 4.669) 12.161 6.080 ( -13.176 -3.166 -4.200) 14.187 6.232 ( -6.544 0.193 2.948) 7.180 6.284 ( -6.049 -1.841 -1.553) 6.510 6.458 ( -8.262 4.004 3.592) 9.859 6.566 ( -8.103 0.993 -6.668) 10.541 6.789 ( -1.055 -5.176 0.625) 5.319 6.804 ( -0.204 -1.950 -1.061) 2.229 6.999 ( -10.367 -1.112 -0.004) 10.427 7.017 ( -9.166 -1.010 -1.817) 9.398 7.405 ( -3.874 0.412 7.856) 8.769 7.466 ( -12.836 1.067 1.134) 12.930 7.682 ( 1.735 -7.658 2.879) 8.363 7.725 ( 2.595 -6.570 -0.963) 7.129 7.820 ( -8.402 -0.128 0.105) 8.403 7.831 ( -6.781 -3.412 -1.665) 7.772 8.091 ( -0.064 0.976 2.239) 2.444 8.151 ( 1.665 -0.307 -3.147) 3.573 8.205 ( -1.071 3.641 1.679) 4.150 8.246 ( 1.301 2.014 -2.531) 3.487 8.659 ( 4.211 -4.884 0.970) 6.521 8.695 ( 3.888 -4.231 -2.480) 6.259 8.779 ( 0.420 -3.286 2.684) 4.264 8.830 ( 0.004 -1.616 -2.684) 3.133 8.972 ( 4.205 1.167 1.998) 4.799 9.004 ( 2.092 0.545 -1.424) 2.589 9.146 ( -1.154 2.284 1.438) 2.935 9.166 ( -0.927 1.108 -0.768) 1.636 10.409 ( 5.469 2.395 1.997) 6.296 10.446 ( 4.540 1.446 -1.940) 5.145 10.599 ( -1.541 0.374 0.784) 1.769 10.618 ( -2.237 1.098 -1.197) 2.764 10.835 ( 2.018 1.030 0.060) 2.267 10.839 ( 1.999 1.113 -0.460) 2.334 11.002 ( -2.363 0.748 0.356) 2.504 11.009 ( -2.463 0.315 -0.422) 2.519 11.152 ( 4.788 -0.637 1.663) 5.108 11.178 ( 5.070 -0.579 -1.008) 5.201 11.348 ( -0.825 -0.060 2.540) 2.671 11.395 ( -1.068 -0.715 -2.416) 2.737 11.480 ( 4.016 1.846 0.269) 4.428 11.490 ( 3.825 1.446 -0.736) 4.155 11.621 ( 0.267 0.032 -0.018) 0.270 11.626 ( 0.362 0.157 -0.449) 0.598 11.973 ( 7.359 2.588 6.734) 10.305 12.114 ( 6.126 2.018 -8.666) 10.803 12.418 ( -4.280 -2.304 1.781) 5.177 12.455 ( -2.151 -3.401 -1.914) 4.456 12.664 ( 3.405 1.831 2.445) 4.575 12.716 ( 3.150 0.507 -3.044) 4.410 13.086 ( -10.130 -3.465 3.303) 11.204 13.113 ( -10.888 -2.431 0.134) 11.157 ======================= Grid point 175 (60/75) ======================= q-point: ( 0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( 27.663 8.370 13.416) 31.863 3.552 ( 24.275 7.930 19.224) 31.964 3.688 ( 25.021 9.018 -14.552) 30.317 3.873 ( 5.182 5.433 -9.014) 11.731 4.033 ( -14.830 4.211 11.287) 19.106 4.109 ( -17.422 7.315 2.480) 19.057 4.232 ( -17.403 7.671 -10.310) 21.633 4.383 ( -17.179 4.508 -17.455) 24.902 4.834 ( 12.283 -2.518 4.134) 13.203 4.887 ( 12.117 -3.838 -1.815) 12.839 5.031 ( -2.988 -1.214 4.662) 5.669 5.084 ( -3.579 -1.706 -1.047) 4.101 5.165 ( 12.859 5.273 5.582) 14.977 5.298 ( 12.485 5.126 -6.986) 15.198 5.401 ( -3.234 3.155 4.474) 6.358 5.486 ( -0.534 0.983 -1.756) 2.082 5.730 ( 2.234 2.696 0.295) 3.514 5.780 ( 0.640 -0.480 4.944) 5.009 5.792 ( 5.108 2.215 -4.161) 6.951 5.841 ( -4.642 0.725 -0.287) 4.707 5.962 ( 7.670 1.643 3.587) 8.625 5.997 ( 5.310 0.340 1.425) 5.509 6.116 ( -6.090 1.214 0.987) 6.288 6.154 ( -8.122 0.180 -3.175) 8.722 6.493 ( 11.325 2.595 -1.280) 11.689 6.526 ( 11.563 5.191 -4.455) 13.435 6.769 ( -4.356 -4.672 1.025) 6.469 6.788 ( -9.092 -2.740 -1.102) 9.559 6.847 ( 1.129 -1.628 0.056) 1.982 6.883 ( -0.682 -2.928 -3.961) 4.972 7.038 ( -21.376 2.234 4.609) 21.982 7.128 ( -20.521 2.044 -5.006) 21.221 7.716 ( 2.044 -6.832 6.550) 9.683 7.737 ( -0.036 -6.247 3.497) 7.160 7.782 ( 2.238 -6.159 -1.391) 6.699 7.807 ( -0.195 -6.363 -3.053) 7.060 8.116 ( 1.777 1.783 5.167) 5.747 8.155 ( -1.735 2.962 5.400) 6.399 8.215 ( 2.113 2.135 -4.552) 5.454 8.253 ( -1.065 2.385 -4.240) 4.980 8.726 ( 2.633 -5.912 1.279) 6.597 8.760 ( 1.447 -4.872 -0.422) 5.100 8.775 ( 0.308 -4.302 -0.631) 4.359 8.815 ( -1.484 -3.363 -3.007) 4.749 9.049 ( 3.038 1.691 1.049) 3.631 9.056 ( 3.048 2.116 0.444) 3.737 9.106 ( -2.315 3.066 1.188) 4.022 9.125 ( -2.837 2.018 -0.762) 3.564 10.501 ( 3.640 1.927 1.244) 4.302 10.518 ( 2.551 0.985 -0.471) 2.775 10.568 ( -1.717 1.082 -0.389) 2.066 10.571 ( -2.362 1.878 -0.746) 3.109 10.885 ( 2.941 0.915 -0.042) 3.080 10.887 ( 2.737 1.126 -0.242) 2.970 10.945 ( -2.987 1.071 0.089) 3.174 10.949 ( -3.209 0.770 -0.311) 3.314 11.245 ( 4.051 -0.901 2.348) 4.768 11.276 ( 3.664 -1.253 -0.041) 3.872 11.320 ( -1.454 -0.253 0.784) 1.671 11.359 ( -2.613 -0.877 -2.443) 3.683 11.559 ( 3.454 1.350 0.241) 3.716 11.565 ( 3.313 0.860 -0.448) 3.452 11.611 ( -1.399 0.805 -0.113) 1.618 11.617 ( -1.410 0.703 -0.627) 1.696 12.126 ( 7.929 1.227 5.563) 9.763 12.238 ( 6.145 0.505 -6.320) 8.830 12.288 ( -7.596 -0.545 3.649) 8.444 12.364 ( -5.933 -1.295 -4.407) 7.504 12.767 ( 6.122 -0.478 2.082) 6.484 12.800 ( 5.013 -0.650 -1.405) 5.247 12.907 ( -7.781 -1.992 1.849) 8.242 12.925 ( -7.649 -1.338 -0.035) 7.765 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 0.000 28.587 25.646) 38.405 2.365 ( 0.000 26.606 31.520) 41.248 2.625 ( 0.000 23.328 -28.991) 37.211 2.867 ( 0.000 32.423 -24.362) 40.556 3.373 ( 0.000 42.968 34.611) 55.174 4.095 ( 0.000 23.613 -40.482) 46.866 4.261 ( 0.000 -7.222 12.077) 14.071 4.376 ( 0.000 23.995 11.868) 26.770 4.387 ( 0.000 3.515 2.741) 4.458 4.595 ( 0.000 17.556 -9.112) 19.780 4.683 ( 0.000 -6.178 9.210) 11.090 4.912 ( 0.000 -9.755 -13.908) 16.988 5.006 ( 0.000 -0.071 -1.733) 1.734 5.117 ( 0.000 7.081 -8.530) 11.086 5.207 ( 0.000 3.315 5.634) 6.537 5.344 ( 0.000 -0.676 -7.737) 7.767 5.586 ( 0.000 3.153 7.705) 8.325 5.729 ( 0.000 1.544 -7.398) 7.557 5.841 ( 0.000 -6.668 1.962) 6.951 5.875 ( 0.000 -5.703 -1.346) 5.859 6.193 ( 0.000 -10.253 5.292) 11.538 6.270 ( 0.000 -7.524 -3.528) 8.310 6.282 ( 0.000 -9.692 8.052) 12.600 6.388 ( 0.000 -10.511 -3.255) 11.004 6.771 ( 0.000 -4.105 5.357) 6.749 6.843 ( 0.000 -2.248 -1.651) 2.789 6.970 ( 0.000 0.091 7.654) 7.655 7.101 ( 0.000 -1.147 -6.247) 6.352 7.186 ( 0.000 -7.948 12.123) 14.496 7.425 ( 0.000 -6.640 -9.330) 11.451 7.456 ( 0.000 -6.133 8.949) 10.849 7.577 ( 0.000 -4.438 4.805) 6.541 7.635 ( 0.000 -5.314 -9.882) 11.220 7.703 ( 0.000 -4.171 -7.106) 8.240 7.757 ( 0.000 0.331 3.656) 3.671 7.834 ( 0.000 2.170 -4.737) 5.211 8.013 ( 0.000 3.972 0.074) 3.973 8.044 ( 0.000 4.034 -3.018) 5.038 8.341 ( 0.000 -2.859 4.239) 5.113 8.412 ( 0.000 -3.340 -3.472) 4.818 8.664 ( 0.000 -0.698 1.048) 1.259 8.677 ( 0.000 -0.377 -0.158) 0.409 8.754 ( 0.000 -0.668 8.436) 8.462 8.793 ( 0.000 1.111 2.705) 2.924 8.845 ( 0.000 3.429 -2.503) 4.245 8.893 ( 0.000 -0.985 -5.557) 5.643 8.990 ( 0.000 0.974 3.718) 3.844 9.072 ( 0.000 0.643 -4.010) 4.061 10.237 ( 0.000 5.275 2.874) 6.007 10.287 ( 0.000 3.985 -2.413) 4.658 10.601 ( 0.000 -4.588 1.818) 4.935 10.634 ( 0.000 -4.620 -1.705) 4.925 10.765 ( 0.000 -0.258 1.654) 1.674 10.792 ( 0.000 -0.519 -1.227) 1.332 10.811 ( 0.000 -2.528 -0.018) 2.528 10.817 ( 0.000 -2.681 -0.737) 2.781 11.275 ( 0.000 8.591 0.140) 8.592 11.283 ( 0.000 8.115 -0.593) 8.137 11.346 ( 0.000 3.147 1.646) 3.552 11.377 ( 0.000 3.399 -1.679) 3.791 11.565 ( 0.000 -0.762 0.362) 0.844 11.566 ( 0.000 -0.155 1.826) 1.832 11.574 ( 0.000 -0.926 -0.480) 1.043 11.595 ( 0.000 -0.388 -1.266) 1.324 11.736 ( 0.000 9.530 4.970) 10.748 11.865 ( 0.000 10.261 -9.796) 14.186 12.218 ( 0.000 0.578 4.427) 4.465 12.306 ( 0.000 -0.436 -4.932) 4.951 12.709 ( 0.000 0.388 0.400) 0.558 12.718 ( 0.000 0.015 -0.474) 0.474 13.363 ( 0.000 -14.566 7.640) 16.449 13.442 ( 0.000 -12.704 -1.779) 12.828 ======================= Grid point 181 (62/75) ======================= q-point: ( 0.11 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 18.390 23.045 23.021) 37.406 2.466 ( 11.109 27.492 22.640) 37.307 2.824 ( 16.968 21.704 -21.026) 34.656 2.977 ( 10.458 28.571 -23.694) 38.562 3.560 ( 19.046 39.323 32.693) 54.570 4.212 ( 9.113 13.922 -22.634) 28.092 4.276 ( 5.293 3.161 -4.494) 7.629 4.345 ( 0.242 9.533 5.748) 11.135 4.492 ( 6.569 12.641 4.518) 14.945 4.638 ( 3.584 19.648 -8.462) 21.691 4.782 ( 9.125 -8.441 9.816) 15.839 4.905 ( 2.300 -2.066 -3.857) 4.944 5.139 ( 2.185 -0.547 -0.940) 2.441 5.158 ( 2.769 -2.031 1.057) 3.593 5.177 ( 4.394 6.059 -8.539) 11.355 5.310 ( -2.452 -0.633 -8.740) 9.100 5.524 ( -5.610 3.724 7.238) 9.886 5.656 ( -6.177 0.370 -6.097) 8.687 5.811 ( -3.238 -3.736 0.497) 4.969 5.835 ( -3.883 -4.197 -1.486) 5.908 6.147 ( -3.793 -11.147 6.443) 13.422 6.227 ( -2.875 -10.211 -1.979) 10.791 6.313 ( 0.682 -6.470 3.536) 7.405 6.372 ( -1.739 -8.781 -1.956) 9.163 6.719 ( -4.416 -4.224 3.765) 7.177 6.782 ( -5.327 -3.013 -2.576) 6.640 6.937 ( -3.821 0.691 6.629) 7.682 7.051 ( -4.841 0.651 -4.872) 6.899 7.190 ( -0.215 -5.864 12.614) 13.912 7.379 ( -6.112 -5.416 1.237) 8.260 7.442 ( 0.599 -7.118 -3.035) 7.761 7.465 ( -3.898 -8.694 0.186) 9.530 7.656 ( -4.200 5.223 -0.305) 6.709 7.687 ( -6.531 7.592 -3.665) 10.664 7.812 ( 5.413 -6.868 -1.679) 8.905 7.828 ( 6.921 -7.274 -3.719) 10.707 8.024 ( 0.513 1.147 0.035) 1.257 8.059 ( 0.449 1.400 -3.339) 3.648 8.402 ( 4.955 -3.288 2.955) 6.640 8.452 ( 3.171 -3.118 -2.312) 5.013 8.595 ( -9.003 0.818 1.710) 9.200 8.605 ( -8.331 -0.774 0.366) 8.375 8.703 ( -0.041 1.201 4.094) 4.267 8.778 ( 0.167 2.131 -2.778) 3.505 8.854 ( 2.246 1.289 3.786) 4.587 8.928 ( 1.473 -1.152 -2.728) 3.307 9.069 ( 5.308 0.085 0.879) 5.381 9.105 ( 2.802 0.614 -2.347) 3.706 10.274 ( 3.520 5.146 2.636) 6.769 10.320 ( 3.103 3.979 -2.191) 5.501 10.607 ( 0.243 -3.967 1.848) 4.383 10.642 ( 0.319 -4.077 -1.831) 4.481 10.766 ( 1.183 -0.156 0.233) 1.215 10.771 ( 0.561 -0.319 -0.237) 0.688 10.867 ( 4.021 -2.446 0.524) 4.736 10.880 ( 4.047 -2.500 -0.663) 4.803 11.250 ( -2.480 7.904 -0.039) 8.284 11.251 ( -2.430 6.654 -0.143) 7.085 11.367 ( 1.508 3.509 1.316) 4.040 11.394 ( 1.455 3.405 -1.503) 3.996 11.495 ( -3.906 0.872 0.690) 4.061 11.511 ( -4.323 0.809 -0.857) 4.480 11.582 ( 0.409 -1.109 0.363) 1.237 11.589 ( 0.126 -0.900 -0.349) 0.973 11.808 ( 5.509 7.568 6.203) 11.229 11.953 ( 6.248 7.075 -10.103) 13.827 12.267 ( 4.297 -0.173 3.825) 5.756 12.343 ( 3.142 -1.283 -4.312) 5.487 12.702 ( -0.622 0.932 0.128) 1.128 12.708 ( -0.842 -0.016 -0.412) 0.937 13.303 ( -5.559 -12.488 7.139) 15.422 13.379 ( -5.939 -11.100 -1.777) 12.714 ======================= Grid point 182 (63/75) ======================= q-point: ( 0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 19.812 17.140 23.797) 35.392 2.831 ( 22.865 25.322 11.423) 35.980 3.184 ( 17.232 25.854 -14.383) 34.238 3.277 ( 18.809 15.848 -22.839) 33.564 4.116 ( 33.653 27.926 24.656) 50.203 4.324 ( 6.178 -4.387 5.756) 9.515 4.391 ( 4.258 3.862 2.567) 6.296 4.606 ( 19.340 15.824 -17.880) 30.727 4.631 ( 8.203 10.822 -3.271) 13.968 4.718 ( 2.635 16.024 -6.019) 17.318 4.928 ( 2.056 1.986 5.179) 5.916 4.979 ( -3.626 3.564 5.470) 7.468 5.076 ( 5.588 0.745 1.730) 5.897 5.152 ( -2.975 -1.127 -5.721) 6.546 5.292 ( 0.358 1.863 0.660) 2.009 5.373 ( 4.089 0.899 -6.163) 7.451 5.453 ( 3.901 -4.107 -0.733) 5.712 5.539 ( -2.101 -1.638 -6.152) 6.704 5.732 ( -4.668 0.110 -0.589) 4.706 5.744 ( -2.055 -0.196 -1.908) 2.811 6.049 ( -5.905 -9.336 5.733) 12.446 6.142 ( -6.089 -10.640 -3.558) 12.765 6.287 ( -2.937 -3.490 2.757) 5.329 6.323 ( -3.019 -5.649 -0.762) 6.450 6.623 ( -4.786 -2.957 1.841) 5.919 6.667 ( -5.338 -3.468 -2.758) 6.937 6.815 ( -7.589 0.819 5.014) 9.133 6.908 ( -8.547 1.730 -5.047) 10.075 7.165 ( -3.630 -2.422 7.871) 9.000 7.209 ( -10.118 -3.400 1.742) 10.815 7.422 ( -1.157 -5.599 2.567) 6.267 7.470 ( 1.776 -6.872 0.187) 7.100 7.551 ( -3.402 4.880 1.434) 6.119 7.605 ( -0.992 2.517 -4.675) 5.401 7.925 ( 3.987 -8.195 0.725) 9.143 7.952 ( 2.134 -1.268 -1.628) 2.969 8.033 ( -0.234 -5.311 -2.085) 5.710 8.045 ( -1.137 -1.725 -2.380) 3.152 8.359 ( -9.904 3.625 1.644) 10.674 8.394 ( -9.799 2.198 -1.877) 10.216 8.506 ( 3.062 -2.956 1.714) 4.588 8.529 ( 3.180 -4.378 -0.483) 5.433 8.715 ( 0.308 -2.428 4.525) 5.145 8.797 ( 0.525 -0.856 -4.044) 4.166 8.914 ( 3.720 1.999 2.309) 4.813 8.956 ( 1.817 -0.436 -1.974) 2.718 9.156 ( 2.923 -0.120 0.244) 2.935 9.162 ( 2.405 0.823 -0.404) 2.573 10.368 ( 5.352 4.549 2.043) 7.315 10.402 ( 4.668 3.611 -1.600) 6.115 10.607 ( -0.133 -1.877 1.773) 2.585 10.640 ( -0.261 -1.856 -1.755) 2.567 10.810 ( 2.695 0.405 0.102) 2.727 10.815 ( 2.848 0.583 -0.442) 2.940 10.954 ( 4.195 -2.547 0.443) 4.928 10.959 ( 3.648 -2.383 -0.069) 4.358 11.191 ( -2.734 5.848 0.393) 6.467 11.200 ( -2.353 5.193 -0.440) 5.718 11.376 ( -1.235 1.544 1.723) 2.622 11.411 ( -0.930 1.037 -2.026) 2.459 11.458 ( 1.233 1.490 0.304) 1.958 11.468 ( 0.996 1.410 -0.647) 1.843 11.598 ( 1.248 -0.626 0.129) 1.402 11.602 ( 1.223 -0.630 -0.218) 1.393 11.924 ( 5.803 5.774 6.624) 10.531 12.068 ( 5.083 4.536 -9.227) 11.470 12.355 ( 3.532 -2.179 2.123) 4.662 12.395 ( 1.055 -2.949 -2.105) 3.773 12.686 ( -0.663 1.519 0.231) 1.673 12.698 ( 0.239 0.532 -1.136) 1.277 13.161 ( -8.021 -8.408 5.650) 12.921 13.224 ( -8.929 -7.694 -1.535) 11.887 ======================= Grid point 183 (64/75) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( 23.095 14.555 19.352) 33.463 3.313 ( 24.563 19.694 10.433) 33.167 3.543 ( 18.796 21.604 -13.418) 31.624 3.674 ( 19.881 11.952 -19.631) 30.389 4.415 ( -4.299 -0.301 6.809) 8.058 4.499 ( 6.163 -0.855 0.138) 6.223 4.621 ( 0.582 10.530 2.652) 10.874 4.665 ( 0.643 9.290 8.499) 12.608 4.681 ( -7.050 7.627 -5.661) 11.829 4.832 ( -3.809 6.957 -5.208) 9.489 4.948 ( 11.203 5.791 6.393) 14.139 5.017 ( 10.085 5.509 1.149) 11.549 5.112 ( 0.060 6.739 1.094) 6.828 5.208 ( 7.602 4.540 -7.436) 11.563 5.323 ( 4.006 0.147 6.712) 7.818 5.452 ( 1.995 -1.651 -3.392) 4.267 5.570 ( 13.639 0.546 -2.000) 13.796 5.612 ( 4.878 -5.428 -0.262) 7.302 5.758 ( 5.119 -0.181 -1.973) 5.489 5.811 ( 7.979 -4.079 -5.564) 10.548 5.929 ( -3.847 0.127 2.990) 4.874 5.991 ( -7.126 -3.727 -2.733) 8.493 6.217 ( -3.828 -1.852 2.036) 4.716 6.255 ( -3.255 -2.891 -1.905) 4.752 6.522 ( -4.786 2.948 3.185) 6.461 6.586 ( -2.230 0.046 -3.751) 4.364 6.690 ( -3.217 -1.907 2.894) 4.729 6.756 ( -5.287 -2.122 -4.214) 7.085 6.991 ( -10.418 -1.670 1.199) 10.619 7.017 ( -10.056 2.444 -1.320) 10.433 7.427 ( -0.303 1.223 7.655) 7.758 7.488 ( -4.474 -0.600 5.054) 6.776 7.522 ( -0.162 -5.617 -2.131) 6.010 7.598 ( 0.246 -4.317 -4.128) 5.978 7.798 ( -13.118 0.121 1.134) 13.168 7.818 ( -12.371 0.165 -1.128) 12.424 8.037 ( 3.388 -6.260 3.247) 7.824 8.111 ( 4.207 -4.039 -4.274) 7.230 8.267 ( -1.011 1.827 0.595) 2.171 8.292 ( -0.238 1.978 -1.965) 2.798 8.544 ( 1.200 -5.700 2.686) 6.415 8.592 ( 2.939 -5.979 -2.156) 7.003 8.702 ( -1.604 -4.957 3.947) 6.536 8.782 ( -1.892 -3.477 -4.545) 6.027 8.999 ( 4.373 1.956 0.819) 4.860 9.013 ( 3.818 0.678 -0.648) 3.932 9.185 ( 0.012 0.515 0.544) 0.749 9.188 ( -0.046 1.524 0.180) 1.535 10.472 ( 4.712 3.680 1.292) 6.117 10.491 ( 3.856 2.910 -0.694) 4.881 10.604 ( -0.226 0.089 1.440) 1.461 10.634 ( -0.543 0.393 -1.643) 1.775 10.860 ( 2.349 1.444 0.280) 2.771 10.868 ( 2.447 1.625 -0.540) 2.987 11.005 ( 0.054 -0.631 0.154) 0.652 11.005 ( 0.066 -0.713 0.073) 0.720 11.170 ( 1.397 2.479 1.139) 3.065 11.189 ( 1.959 1.730 -0.660) 2.696 11.342 ( -1.769 -0.534 1.508) 2.385 11.377 ( -1.902 -1.053 -2.076) 3.006 11.515 ( 3.631 1.566 -0.031) 3.954 11.519 ( 3.412 1.509 -0.441) 3.757 11.627 ( 1.274 0.571 0.058) 1.397 11.631 ( 1.268 0.376 -0.302) 1.357 12.041 ( 5.802 4.029 5.876) 9.188 12.163 ( 4.435 2.681 -7.373) 9.012 12.368 ( -3.258 -2.496 0.846) 4.190 12.384 ( -1.078 -3.429 -0.721) 3.667 12.694 ( 1.674 1.057 1.160) 2.294 12.722 ( 2.031 0.023 -1.817) 2.725 12.998 ( -7.795 -5.081 3.725) 10.022 13.041 ( -8.771 -4.608 -1.016) 9.960 ======================= Grid point 184 (65/75) ======================= q-point: ( 0.44 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.630 ( 22.507 11.132 14.983) 29.240 3.789 ( 19.965 14.785 10.583) 27.003 3.924 ( 17.423 13.582 -13.706) 25.998 4.033 ( 9.813 10.846 -10.231) 17.850 4.153 ( -11.756 8.009 10.078) 17.433 4.325 ( -18.320 13.487 6.651) 23.701 4.405 ( -12.249 8.432 -13.450) 20.051 4.524 ( -13.539 10.097 -11.586) 20.481 4.796 ( 10.236 -1.551 2.077) 10.559 4.831 ( 9.107 -1.484 -1.534) 9.354 5.001 ( -7.848 -1.651 2.138) 8.300 5.029 ( -8.363 -3.253 -1.018) 9.031 5.240 ( 11.627 2.007 7.163) 13.803 5.365 ( 9.736 0.854 -5.276) 11.106 5.441 ( -4.264 -0.217 5.174) 6.708 5.518 ( 0.338 1.741 -1.279) 2.186 5.739 ( 4.960 -0.841 5.443) 7.412 5.756 ( 0.063 -4.240 6.022) 7.365 5.834 ( 7.424 0.886 -3.643) 8.317 5.861 ( 2.195 -3.403 -4.374) 5.961 5.974 ( 5.700 0.427 4.290) 7.147 6.031 ( 6.655 5.108 -2.457) 8.741 6.140 ( -4.721 0.059 0.137) 4.723 6.157 ( -7.906 -0.408 -1.004) 7.980 6.545 ( 8.043 2.662 2.817) 8.928 6.639 ( 7.196 3.995 -6.918) 10.751 6.687 ( -0.729 -1.878 1.728) 2.654 6.730 ( 0.399 0.312 -3.188) 3.228 6.837 ( 0.188 -0.171 0.277) 0.376 6.869 ( 2.583 5.011 -3.206) 6.485 7.137 ( -22.970 7.582 4.430) 24.591 7.225 ( -20.806 7.527 -4.795) 22.639 7.569 ( 3.124 -7.191 4.417) 8.999 7.614 ( -0.350 -5.603 0.322) 5.624 7.645 ( -0.835 -6.503 0.362) 6.566 7.677 ( -2.665 -5.501 -2.085) 6.458 8.122 ( 4.904 -1.674 5.169) 7.319 8.191 ( 1.807 -0.183 0.772) 1.974 8.238 ( -1.054 0.008 -0.675) 1.251 8.282 ( -1.892 0.163 -2.672) 3.278 8.581 ( 2.898 -7.848 3.335) 9.006 8.644 ( -1.308 -6.686 1.913) 7.076 8.664 ( 1.598 -6.755 -3.024) 7.572 8.730 ( -3.162 -5.526 -4.983) 8.084 9.082 ( 3.872 1.652 1.328) 4.414 9.096 ( 3.791 1.728 0.126) 4.168 9.156 ( -2.540 1.479 0.623) 3.005 9.164 ( -2.218 1.734 -0.154) 2.820 10.549 ( 2.606 2.532 0.917) 3.747 10.554 ( 2.481 2.648 0.622) 3.681 10.593 ( -0.734 1.474 0.189) 1.657 10.611 ( -1.705 1.993 -1.414) 2.980 10.911 ( 2.763 1.608 0.321) 3.213 10.918 ( 2.628 1.869 -0.434) 3.253 10.969 ( -2.759 1.155 0.161) 2.995 10.972 ( -2.577 1.465 -0.221) 2.972 11.229 ( 3.395 -0.645 2.076) 4.031 11.253 ( 2.935 -0.993 0.408) 3.125 11.304 ( -1.644 -1.331 -0.122) 2.119 11.333 ( -2.599 -1.670 -2.286) 3.843 11.588 ( 3.224 1.429 0.089) 3.527 11.591 ( 3.282 1.798 -0.330) 3.757 11.634 ( -0.886 1.332 -0.081) 1.602 11.637 ( -0.874 1.352 -0.485) 1.682 12.158 ( 5.861 1.882 4.602) 7.686 12.248 ( 3.357 0.439 -4.052) 5.280 12.277 ( -4.567 -0.403 1.584) 4.850 12.332 ( -3.626 -1.771 -3.261) 5.188 12.752 ( 4.022 -0.934 1.687) 4.461 12.780 ( 3.782 -1.353 -1.090) 4.162 12.857 ( -6.102 -2.911 2.086) 7.075 12.885 ( -6.535 -2.644 -0.815) 7.097 ======================= Grid point 189 (66/75) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 0.000 30.059 20.294) 36.269 2.840 ( 0.000 22.566 31.847) 39.031 3.124 ( 0.000 26.119 -24.320) 35.688 3.400 ( 0.000 21.965 -29.033) 36.406 4.044 ( 0.000 -14.353 16.553) 21.909 4.153 ( 0.000 8.485 15.901) 18.023 4.347 ( 0.000 -7.956 -14.489) 16.530 4.353 ( 0.000 8.269 4.265) 9.304 4.564 ( 0.000 0.263 -5.029) 5.036 4.811 ( 0.000 25.043 -22.270) 33.513 4.922 ( 0.000 23.066 10.462) 25.328 5.091 ( 0.000 8.159 11.576) 14.162 5.106 ( 0.000 22.462 -9.489) 24.384 5.211 ( 0.000 3.095 1.697) 3.529 5.322 ( 0.000 -1.292 -3.955) 4.161 5.355 ( 0.000 10.182 -8.784) 13.448 5.658 ( 0.000 3.451 6.262) 7.150 5.693 ( 0.000 -7.635 2.335) 7.984 5.732 ( 0.000 -7.989 -1.622) 8.152 5.762 ( 0.000 1.983 -4.671) 5.075 6.034 ( 0.000 -4.995 6.718) 8.371 6.102 ( 0.000 -9.165 7.367) 11.759 6.153 ( 0.000 -4.843 -5.821) 7.572 6.192 ( 0.000 -8.970 -1.540) 9.101 6.672 ( 0.000 -5.901 2.476) 6.399 6.756 ( 0.000 -5.840 -6.212) 8.526 6.930 ( 0.000 -6.928 5.686) 8.963 7.043 ( 0.000 -7.105 -5.644) 9.074 7.090 ( 0.000 -0.561 15.186) 15.197 7.247 ( 0.000 -9.418 7.373) 11.961 7.331 ( 0.000 -2.447 -9.856) 10.156 7.378 ( 0.000 -13.500 -6.759) 15.097 7.498 ( 0.000 -2.440 7.305) 7.702 7.631 ( 0.000 -2.252 -6.635) 7.007 7.869 ( 0.000 6.033 2.416) 6.499 7.941 ( 0.000 6.117 -5.172) 8.011 8.076 ( 0.000 2.015 0.098) 2.017 8.107 ( 0.000 1.986 -3.411) 3.947 8.177 ( 0.000 -12.590 3.598) 13.094 8.232 ( 0.000 -13.444 -2.322) 13.643 8.677 ( 0.000 1.863 1.954) 2.699 8.719 ( 0.000 3.497 -2.414) 4.249 8.746 ( 0.000 -0.255 7.066) 7.070 8.854 ( 0.000 4.322 5.209) 6.769 8.869 ( 0.000 -1.388 -5.687) 5.854 8.939 ( 0.000 5.419 -3.944) 6.702 9.004 ( 0.000 0.318 4.752) 4.763 9.092 ( 0.000 0.856 -4.140) 4.228 10.333 ( 0.000 3.958 2.001) 4.435 10.364 ( 0.000 3.372 -1.283) 3.608 10.509 ( 0.000 -4.296 1.759) 4.642 10.539 ( 0.000 -4.497 -1.401) 4.710 10.765 ( 0.000 0.124 1.210) 1.217 10.774 ( 0.000 -1.117 -0.074) 1.120 10.779 ( 0.000 -1.139 -0.638) 1.305 10.784 ( 0.000 -0.278 -0.889) 0.932 11.412 ( 0.000 3.272 1.815) 3.742 11.424 ( 0.000 6.098 0.640) 6.131 11.440 ( 0.000 6.680 -1.126) 6.774 11.444 ( 0.000 3.015 -1.458) 3.349 11.544 ( 0.000 -1.134 0.572) 1.271 11.554 ( 0.000 -0.793 -0.439) 0.906 11.566 ( 0.000 0.088 1.149) 1.152 11.588 ( 0.000 -0.315 -1.102) 1.146 11.907 ( 0.000 7.607 4.868) 9.031 12.022 ( 0.000 6.037 -7.948) 9.981 12.209 ( 0.000 -1.653 3.481) 3.853 12.278 ( 0.000 -2.467 -3.778) 4.512 12.721 ( 0.000 1.460 1.543) 2.125 12.751 ( 0.000 3.116 -1.691) 3.545 13.100 ( 0.000 -11.651 7.434) 13.820 13.196 ( 0.000 -11.683 -3.408) 12.170 ======================= Grid point 190 (67/75) ======================= q-point: ( 0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 9.413 23.803 22.414) 34.023 2.990 ( 13.705 25.890 18.322) 34.552 3.268 ( 13.401 22.700 -18.023) 31.933 3.490 ( 8.456 22.959 -24.946) 34.942 4.039 ( 1.819 -13.737 13.161) 19.111 4.259 ( 4.751 -0.872 0.538) 4.860 4.348 ( 6.255 5.616 1.791) 8.595 4.472 ( 10.781 2.553 5.665) 12.443 4.707 ( 11.716 2.158 -3.410) 12.392 4.889 ( 5.616 18.527 -12.002) 22.778 4.932 ( 3.120 21.418 4.916) 22.195 5.102 ( -0.196 20.835 -8.201) 22.391 5.162 ( 5.425 7.077 6.450) 11.005 5.188 ( -1.800 3.262 2.420) 4.442 5.284 ( -3.604 0.851 -4.733) 6.009 5.359 ( 0.313 7.962 -8.867) 11.922 5.583 ( -5.505 0.756 3.628) 6.636 5.619 ( -5.644 -2.070 0.536) 6.035 5.736 ( -0.966 -5.394 1.586) 5.705 5.788 ( 0.651 -0.406 -4.076) 4.147 5.966 ( -3.963 -5.531 7.729) 10.297 6.083 ( -3.677 -3.854 -3.992) 6.656 6.163 ( 1.578 -9.738 2.631) 10.210 6.200 ( 0.026 -7.820 -0.717) 7.853 6.630 ( -3.320 -4.663 1.090) 5.827 6.694 ( -5.014 -4.977 -5.512) 8.961 6.927 ( -1.152 -3.653 5.940) 7.068 7.035 ( -1.440 -4.690 -5.197) 7.147 7.128 ( 2.821 0.089 13.747) 14.034 7.211 ( -3.342 -8.114 5.516) 10.365 7.281 ( -5.699 -8.181 -0.478) 9.982 7.345 ( 1.046 -2.827 -8.404) 8.928 7.596 ( 6.135 -8.154 1.524) 10.317 7.661 ( 3.356 -5.932 -4.378) 8.100 7.813 ( -4.500 5.857 0.576) 7.408 7.850 ( -7.327 6.963 -3.324) 10.640 8.059 ( -1.808 1.102 -0.605) 2.203 8.082 ( -1.814 0.029 -2.712) 3.262 8.223 ( 3.260 -13.165 3.218) 13.939 8.274 ( 3.240 -13.062 -2.184) 13.634 8.634 ( -3.691 3.257 1.959) 5.298 8.658 ( -6.487 4.068 -0.277) 7.662 8.741 ( -1.522 1.676 3.794) 4.418 8.810 ( -1.696 0.763 -1.400) 2.328 8.903 ( 2.466 2.759 1.299) 3.922 8.948 ( 0.969 3.541 -1.872) 4.121 9.064 ( 4.416 -0.694 1.830) 4.831 9.116 ( 2.184 0.184 -3.117) 3.810 10.367 ( 3.259 3.883 1.869) 5.403 10.396 ( 3.005 3.356 -1.147) 4.649 10.528 ( 1.659 -3.692 1.794) 4.428 10.558 ( 1.687 -3.941 -1.381) 4.504 10.771 ( 1.407 0.363 -0.085) 1.455 10.771 ( 1.548 0.575 -0.089) 1.653 10.828 ( 3.707 -1.481 0.375) 4.009 10.838 ( 3.652 -1.649 -0.560) 4.046 11.372 ( -3.077 5.124 1.176) 6.091 11.394 ( -3.508 6.022 -1.126) 7.060 11.444 ( 0.488 3.760 0.883) 3.893 11.461 ( 0.707 2.883 -0.752) 3.062 11.500 ( -3.755 -0.101 0.636) 3.810 11.519 ( -3.301 0.564 -1.140) 3.537 11.559 ( 0.376 -1.150 0.660) 1.378 11.571 ( -0.240 -0.853 -0.554) 1.045 11.955 ( 3.999 6.917 5.212) 9.539 12.073 ( 4.032 5.011 -7.837) 10.139 12.245 ( 3.020 -2.157 2.957) 4.745 12.303 ( 2.077 -2.757 -3.193) 4.702 12.717 ( -0.385 1.464 1.352) 2.030 12.744 ( -0.672 3.044 -1.561) 3.486 13.071 ( -2.747 -10.543 6.741) 12.812 13.159 ( -3.525 -10.627 -3.129) 11.625 ======================= Grid point 191 (68/75) ======================= q-point: ( 0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 16.671 18.909 20.316) 32.376 3.320 ( 17.962 22.821 2.073) 29.116 3.607 ( 18.561 19.274 -11.019) 28.938 3.712 ( 13.108 24.643 -15.511) 31.932 4.139 ( 7.871 -12.464 8.245) 16.891 4.319 ( 4.022 -9.431 -10.706) 14.824 4.616 ( 15.239 11.318 12.959) 22.984 4.737 ( 13.668 -5.442 2.247) 14.882 4.947 ( 4.786 6.128 5.722) 9.654 4.969 ( 7.075 20.603 6.331) 22.685 5.028 ( -0.159 6.630 1.842) 6.883 5.067 ( -1.698 9.821 -3.527) 10.573 5.164 ( 1.824 5.185 -1.054) 5.597 5.247 ( 2.846 6.342 -5.341) 8.766 5.292 ( 4.289 5.398 -3.263) 7.627 5.354 ( -0.077 1.913 -6.046) 6.342 5.467 ( -5.819 1.519 2.022) 6.345 5.523 ( -0.650 5.663 -5.283) 7.772 5.677 ( -4.074 -6.513 4.746) 9.030 5.773 ( -2.161 -2.248 -5.870) 6.647 5.919 ( -0.384 -2.714 4.615) 5.368 6.011 ( -2.362 -1.041 -4.669) 5.335 6.165 ( -1.178 -9.443 1.873) 9.698 6.192 ( -0.997 -6.300 -0.744) 6.422 6.576 ( -1.185 -1.334 -0.501) 1.854 6.606 ( -2.745 -1.281 -3.587) 4.695 6.852 ( -6.349 2.216 5.651) 8.784 6.948 ( -7.234 1.442 -4.389) 8.583 7.103 ( -7.091 -5.569 4.281) 9.981 7.129 ( -2.509 -2.137 3.059) 4.497 7.278 ( 4.828 -5.456 5.227) 8.967 7.371 ( 1.552 -3.501 -3.294) 5.051 7.670 ( -2.194 -1.099 0.764) 2.570 7.695 ( -6.198 5.763 -1.475) 8.591 7.727 ( 2.957 -5.782 1.526) 6.671 7.798 ( 5.348 -7.002 -5.550) 10.413 8.001 ( -4.138 -0.834 0.140) 4.224 8.033 ( -3.497 -0.880 -2.484) 4.379 8.287 ( 2.425 -11.609 3.282) 12.305 8.329 ( 1.342 -9.083 -1.302) 9.273 8.496 ( -7.182 3.092 1.518) 7.965 8.528 ( -6.434 4.523 -1.831) 8.075 8.685 ( -3.930 -0.787 4.851) 6.292 8.773 ( -2.618 -1.765 -4.150) 5.215 8.967 ( 3.550 2.854 1.094) 4.684 8.984 ( 2.748 3.511 -0.696) 4.512 9.143 ( 3.057 -1.249 1.091) 3.478 9.167 ( 2.480 -0.502 -1.506) 2.945 10.452 ( 4.705 3.547 1.487) 6.077 10.472 ( 4.197 3.160 -0.732) 5.305 10.567 ( 2.041 -1.910 1.859) 3.357 10.598 ( 2.068 -2.164 -1.355) 3.286 10.822 ( 3.383 0.918 0.239) 3.514 10.830 ( 3.644 0.995 -0.595) 3.824 10.912 ( 4.333 -1.736 0.308) 4.678 10.917 ( 3.970 -1.856 -0.174) 4.386 11.295 ( -4.121 4.457 0.591) 6.098 11.307 ( -4.556 4.873 -0.620) 6.700 11.398 ( -3.915 0.491 1.105) 4.097 11.422 ( -3.679 0.023 -1.432) 3.947 11.492 ( 2.041 2.007 0.218) 2.871 11.499 ( 1.505 1.888 -0.515) 2.469 11.587 ( 2.268 -0.492 0.086) 2.322 11.590 ( 2.011 -0.600 -0.118) 2.101 12.042 ( 4.307 5.782 5.137) 8.853 12.152 ( 3.532 3.779 -6.882) 8.609 12.303 ( 2.203 -3.021 1.741) 4.125 12.337 ( 0.761 -2.904 -1.823) 3.512 12.709 ( -0.255 1.307 0.898) 1.606 12.729 ( -0.641 2.461 -1.278) 2.846 12.995 ( -4.644 -7.988 5.128) 10.567 13.063 ( -5.753 -8.116 -2.434) 10.241 ======================= Grid point 192 (69/75) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( 20.374 15.832 15.987) 30.354 3.697 ( 19.229 17.114 -4.083) 26.063 3.952 ( 15.217 19.589 -7.551) 25.929 4.019 ( 16.965 22.000 -9.214) 29.269 4.325 ( 8.901 -8.548 3.540) 12.839 4.420 ( 4.647 -6.487 -6.008) 9.988 4.734 ( -4.151 3.738 5.811) 8.060 4.858 ( -6.587 3.820 -6.983) 10.331 4.921 ( -5.737 12.084 4.968) 14.270 4.973 ( -2.886 7.775 -0.220) 8.296 5.036 ( 0.045 4.576 5.899) 7.466 5.070 ( 3.412 1.362 3.692) 5.208 5.234 ( -2.736 3.895 1.712) 5.059 5.261 ( -2.306 0.814 -1.362) 2.799 5.365 ( 6.214 -4.619 0.894) 7.794 5.430 ( 9.811 -0.368 -2.076) 10.035 5.504 ( 11.730 4.764 6.219) 14.105 5.550 ( -1.342 -6.655 1.567) 6.968 5.689 ( -2.203 -6.729 -4.042) 8.153 5.695 ( 3.226 -0.568 -2.815) 4.319 5.930 ( 0.523 -2.693 3.770) 4.663 6.043 ( 5.046 3.712 -9.366) 11.267 6.147 ( -0.040 -4.866 0.267) 4.873 6.165 ( -0.878 -3.773 -1.144) 4.039 6.596 ( 1.267 4.639 0.915) 4.895 6.619 ( 5.529 5.980 -1.580) 8.296 6.726 ( -3.331 3.958 2.297) 5.660 6.790 ( -6.267 5.684 -3.996) 9.357 6.946 ( -8.115 -2.389 5.850) 10.285 7.048 ( -5.359 0.053 -4.708) 7.133 7.380 ( 4.288 -3.630 3.887) 6.831 7.418 ( 3.238 -2.762 0.028) 4.256 7.562 ( -6.035 4.138 1.170) 7.411 7.601 ( -4.785 2.699 -2.520) 6.044 7.788 ( -4.437 -5.372 0.287) 6.973 7.803 ( -10.344 -1.987 -0.592) 10.550 7.916 ( 1.017 -1.914 4.414) 4.918 8.002 ( 5.052 -4.268 -4.860) 8.207 8.274 ( -2.129 -1.415 1.556) 2.993 8.313 ( -2.514 -0.557 -2.110) 3.329 8.445 ( -1.503 -3.670 0.561) 4.006 8.454 ( 2.082 -7.532 -0.245) 7.818 8.588 ( -5.316 -5.873 5.444) 9.612 8.695 ( -4.920 -5.091 -5.920) 9.229 9.041 ( 3.801 2.238 0.767) 4.477 9.053 ( 3.711 3.194 -0.482) 4.920 9.181 ( 0.716 -0.891 1.317) 1.744 9.199 ( 0.431 -0.426 -0.623) 0.869 10.541 ( 3.906 2.989 0.905) 5.001 10.550 ( 3.384 2.819 -0.034) 4.404 10.605 ( 1.536 0.052 1.792) 2.361 10.635 ( 1.423 -0.165 -1.340) 1.962 10.889 ( 3.073 1.505 0.492) 3.457 10.900 ( 3.158 1.618 -0.685) 3.614 10.985 ( 2.372 -1.198 0.188) 2.664 10.986 ( 2.322 -1.096 0.084) 2.570 11.229 ( -2.101 2.876 0.160) 3.565 11.233 ( -1.963 2.445 -0.194) 3.142 11.326 ( -3.187 -1.072 0.951) 3.494 11.353 ( -3.157 -1.451 -1.755) 3.893 11.548 ( 3.515 1.983 0.183) 4.040 11.554 ( 3.654 2.066 -0.456) 4.222 11.637 ( 2.236 0.159 -0.036) 2.242 11.638 ( 2.383 0.305 -0.148) 2.407 12.123 ( 3.819 4.109 4.380) 7.117 12.213 ( 2.557 2.272 -5.203) 6.227 12.321 ( -0.487 -2.893 0.225) 2.943 12.324 ( -1.833 -1.936 -0.234) 2.676 12.711 ( 0.527 0.791 0.590) 1.119 12.725 ( 0.396 0.660 -0.952) 1.225 12.893 ( -5.187 -5.258 3.375) 8.121 12.940 ( -6.201 -5.360 -1.667) 8.364 ======================= Grid point 193 (70/75) ======================= q-point: ( 0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.872 ( 19.641 12.970 11.346) 26.129 4.067 ( 15.223 12.056 -4.403) 19.912 4.192 ( 0.231 12.327 -2.489) 12.578 4.287 ( 2.915 12.466 -6.685) 14.442 4.355 ( 4.116 12.564 6.309) 14.650 4.506 ( 5.555 3.637 -6.525) 9.309 4.638 ( -14.181 14.937 3.465) 20.885 4.732 ( -2.290 3.871 -5.112) 6.809 4.790 ( 2.254 6.373 0.011) 6.760 4.840 ( -1.867 2.867 -3.266) 4.730 4.968 ( -8.043 -2.285 0.074) 8.362 4.980 ( -9.965 0.997 -1.562) 10.136 5.273 ( 7.165 2.196 5.660) 9.392 5.339 ( 7.350 -3.241 -1.191) 8.121 5.414 ( -5.044 -1.599 6.112) 8.085 5.492 ( -7.234 -5.469 -2.256) 9.345 5.592 ( 8.968 -10.620 3.192) 14.262 5.646 ( 5.925 -13.065 -0.857) 14.371 5.731 ( 1.081 -5.339 1.077) 5.553 5.755 ( -0.746 -9.470 -0.409) 9.508 5.979 ( 5.895 0.011 7.467) 9.513 6.098 ( -1.269 -0.533 -0.779) 1.582 6.138 ( -1.338 1.748 -3.877) 4.458 6.160 ( -0.234 0.935 -2.037) 2.253 6.628 ( 3.774 4.807 3.309) 6.950 6.664 ( -1.063 2.335 0.718) 2.664 6.746 ( 0.158 4.517 -1.559) 4.781 6.767 ( -3.641 2.087 -1.288) 4.390 6.954 ( 12.936 10.422 0.520) 16.620 7.037 ( 13.044 11.427 -7.145) 18.756 7.316 ( -18.519 9.436 3.837) 21.136 7.395 ( -13.794 8.112 -4.374) 16.589 7.464 ( 3.234 -2.270 3.606) 5.349 7.528 ( 2.285 -2.730 -3.480) 4.978 7.570 ( -8.380 -0.508 2.261) 8.694 7.611 ( -5.746 -1.515 -2.135) 6.314 8.053 ( 8.579 -4.252 5.649) 11.117 8.138 ( 6.208 -4.775 -2.891) 8.348 8.215 ( -4.685 -2.217 1.364) 5.360 8.258 ( -3.515 -2.410 -2.489) 4.936 8.435 ( 1.130 -6.516 4.521) 8.011 8.492 ( -4.002 -8.500 4.610) 10.465 8.515 ( 3.401 -8.043 -3.943) 9.582 8.594 ( -4.621 -7.888 -6.226) 11.061 9.115 ( 3.313 1.576 0.994) 3.801 9.126 ( 3.330 1.383 -0.014) 3.606 9.170 ( -1.689 0.124 1.010) 1.972 9.183 ( -1.874 0.163 -0.315) 1.907 10.599 ( 1.821 2.424 1.088) 3.221 10.608 ( 1.887 2.484 0.736) 3.205 10.623 ( 0.517 1.428 0.594) 1.631 10.645 ( -0.559 1.315 -1.089) 1.796 10.946 ( 2.634 1.864 0.577) 3.278 10.957 ( 2.519 1.927 -0.561) 3.220 10.991 ( -1.458 0.979 0.416) 1.805 10.997 ( -1.129 0.886 -0.253) 1.457 11.221 ( 1.186 -0.163 1.092) 1.621 11.236 ( 1.262 -0.725 0.108) 1.459 11.271 ( -1.922 -1.845 -0.128) 2.667 11.294 ( -2.663 -2.155 -1.930) 3.932 11.622 ( 3.268 1.948 0.179) 3.809 11.628 ( 3.217 1.912 -0.561) 3.784 11.660 ( -0.301 1.224 0.045) 1.262 11.665 ( -0.147 1.183 -0.421) 1.264 12.197 ( 3.516 1.911 3.234) 5.145 12.254 ( 0.537 0.252 -1.210) 1.347 12.272 ( -1.810 -0.197 -0.614) 1.922 12.298 ( -1.687 -1.642 -1.683) 2.894 12.735 ( 1.991 -0.638 0.958) 2.299 12.751 ( 2.309 -1.322 -0.615) 2.731 12.798 ( -3.979 -2.835 1.707) 5.175 12.826 ( -4.816 -3.089 -1.163) 5.838 ======================= Grid point 198 (71/75) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( 0.000 21.459 26.661) 34.224 3.295 ( 0.000 27.734 16.823) 32.438 3.616 ( 0.000 14.613 -9.350) 17.348 3.728 ( 0.000 -8.679 9.592) 12.936 3.783 ( 0.000 17.069 -27.423) 32.301 3.820 ( 0.000 -23.558 14.166) 27.489 4.112 ( 0.000 -14.452 -23.053) 27.209 4.123 ( 0.000 -20.964 -18.253) 27.797 5.032 ( 0.000 19.461 10.740) 22.228 5.206 ( 0.000 0.363 5.629) 5.640 5.210 ( 0.000 9.189 -7.477) 11.847 5.274 ( 0.000 -0.822 -2.457) 2.591 5.345 ( 0.000 7.768 10.630) 13.166 5.419 ( 0.000 25.089 7.326) 26.136 5.472 ( 0.000 0.813 1.764) 1.943 5.506 ( 0.000 3.413 -6.185) 7.064 5.588 ( 0.000 1.075 2.383) 2.615 5.710 ( 0.000 17.039 -10.118) 19.816 5.728 ( 0.000 5.059 6.500) 8.237 5.841 ( 0.000 6.050 -3.550) 7.015 5.898 ( 0.000 -10.564 7.898) 13.190 5.955 ( 0.000 -10.432 1.679) 10.566 6.004 ( 0.000 -8.853 -1.671) 9.009 6.026 ( 0.000 -8.309 -4.889) 9.640 6.558 ( 0.000 -2.650 2.766) 3.831 6.668 ( 0.000 -2.084 -8.181) 8.442 6.692 ( 0.000 -12.970 -0.223) 12.972 6.757 ( 0.000 -14.890 -5.950) 16.035 7.145 ( 0.000 4.429 10.595) 11.483 7.204 ( 0.000 1.113 3.145) 3.336 7.229 ( 0.000 -1.937 0.785) 2.090 7.286 ( 0.000 -3.433 -4.424) 5.600 7.565 ( 0.000 10.482 4.932) 11.585 7.655 ( 0.000 5.915 -4.565) 7.471 7.840 ( 0.000 -12.996 2.263) 13.191 7.875 ( 0.000 -14.923 -0.764) 14.943 8.050 ( 0.000 0.856 -1.160) 1.442 8.060 ( 0.000 3.781 -2.918) 4.777 8.086 ( 0.000 -0.996 -0.137) 1.005 8.115 ( 0.000 -1.272 -3.473) 3.699 8.715 ( 0.000 1.677 3.584) 3.957 8.739 ( 0.000 -0.670 5.299) 5.341 8.786 ( 0.000 3.033 -3.951) 4.981 8.836 ( 0.000 -2.040 -5.001) 5.401 8.940 ( 0.000 3.852 6.000) 7.130 8.994 ( 0.000 -1.516 5.713) 5.911 9.038 ( 0.000 4.079 -4.537) 6.100 9.091 ( 0.000 -1.227 -4.542) 4.704 10.392 ( 0.000 2.259 1.709) 2.832 10.417 ( 0.000 2.204 -0.964) 2.406 10.439 ( 0.000 -2.793 1.690) 3.264 10.465 ( 0.000 -2.929 -1.097) 3.128 10.765 ( 0.000 0.042 0.051) 0.066 10.767 ( 0.000 0.019 0.588) 0.588 10.771 ( 0.000 0.180 -0.442) 0.478 10.778 ( 0.000 -0.396 -0.562) 0.688 11.467 ( 0.000 2.177 1.559) 2.678 11.490 ( 0.000 1.678 -0.662) 1.804 11.492 ( 0.000 0.259 1.265) 1.291 11.513 ( 0.000 -0.303 -0.833) 0.887 11.539 ( 0.000 1.777 0.864) 1.976 11.562 ( 0.000 1.625 -1.256) 2.054 11.565 ( 0.000 -0.479 0.496) 0.690 11.582 ( 0.000 -0.400 -1.112) 1.182 12.043 ( 0.000 6.174 3.653) 7.174 12.125 ( 0.000 4.670 -5.282) 7.051 12.149 ( 0.000 -4.354 3.008) 5.292 12.212 ( 0.000 -4.015 -3.732) 5.482 12.779 ( 0.000 4.535 3.611) 5.797 12.841 ( 0.000 5.966 -3.045) 6.698 12.904 ( 0.000 -8.059 5.667) 9.852 12.989 ( 0.000 -9.004 -3.686) 9.730 ======================= Grid point 199 (72/75) ======================= q-point: ( 0.11 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( 4.926 22.287 20.168) 30.459 3.495 ( 12.433 24.296 12.335) 29.950 3.664 ( 5.676 -1.665 2.650) 6.482 3.743 ( 6.026 3.367 -2.051) 7.201 3.914 ( 11.040 19.197 -20.804) 30.384 3.955 ( 6.634 -20.444 2.396) 21.626 4.106 ( 8.834 -16.023 -8.060) 19.994 4.319 ( 12.291 -18.030 -16.847) 27.567 5.048 ( 1.423 15.298 9.273) 17.946 5.170 ( -1.884 5.684 0.585) 6.017 5.217 ( -1.136 -0.085 -1.294) 1.724 5.252 ( -2.213 -0.626 -2.408) 3.330 5.314 ( -2.507 8.517 9.099) 12.713 5.429 ( -0.228 16.069 0.824) 16.092 5.453 ( -0.564 3.837 4.487) 5.931 5.507 ( -0.247 3.141 -1.472) 3.478 5.586 ( -0.074 5.315 3.231) 6.221 5.696 ( -3.449 5.706 5.431) 8.600 5.719 ( 0.672 16.825 -7.488) 18.428 5.810 ( -2.889 4.825 -3.622) 6.689 5.875 ( -1.797 -8.489 5.862) 10.471 5.965 ( 0.942 -11.627 2.081) 11.849 5.996 ( -2.088 -6.168 -5.263) 8.373 6.034 ( 2.131 -8.301 -3.376) 9.211 6.561 ( 0.733 0.850 1.444) 1.829 6.636 ( -1.315 -0.417 -5.742) 5.905 6.739 ( 3.203 -11.358 -1.049) 11.848 6.786 ( 2.760 -15.832 -4.899) 16.801 7.159 ( -0.019 3.038 7.884) 8.449 7.185 ( -2.087 1.537 3.557) 4.401 7.219 ( -0.860 0.610 1.366) 1.725 7.282 ( -0.517 -4.439 -3.502) 5.677 7.588 ( 2.227 8.781 3.719) 9.792 7.653 ( 0.189 6.303 -3.177) 7.061 7.827 ( -1.738 -9.234 2.485) 9.720 7.879 ( -0.501 -11.864 -2.281) 12.092 8.007 ( -3.163 1.285 0.807) 3.508 8.035 ( -1.414 -2.008 -1.736) 3.008 8.062 ( -2.328 -1.420 -1.426) 3.077 8.084 ( -1.386 -3.257 -3.374) 4.890 8.699 ( -1.992 2.822 2.775) 4.431 8.726 ( -3.664 1.403 2.360) 4.578 8.758 ( -2.080 1.177 -0.639) 2.474 8.800 ( -3.302 -1.736 -2.118) 4.290 8.968 ( 2.708 3.622 3.616) 5.790 9.020 ( 1.812 0.380 1.920) 2.667 9.049 ( 1.876 1.518 -2.103) 3.201 9.101 ( 1.147 -1.858 -3.818) 4.398 10.425 ( 3.088 2.146 1.649) 4.106 10.448 ( 2.913 2.088 -0.801) 3.673 10.467 ( 2.677 -2.383 1.627) 3.936 10.493 ( 2.606 -2.617 -1.031) 3.834 10.785 ( 2.235 0.966 0.038) 2.435 10.788 ( 2.249 1.038 -0.205) 2.485 10.805 ( 3.054 -0.962 0.130) 3.204 10.811 ( 2.892 -1.175 -0.376) 3.144 11.448 ( -2.546 2.559 1.613) 3.954 11.473 ( -3.000 1.122 0.148) 3.206 11.482 ( -2.223 0.773 -0.551) 2.417 11.495 ( -3.066 -0.099 -0.485) 3.106 11.513 ( -0.425 2.023 0.977) 2.287 11.537 ( -1.401 -0.333 0.455) 1.510 11.543 ( -0.214 0.628 -1.164) 1.340 11.557 ( -0.822 -0.573 -0.909) 1.353 12.080 ( 3.188 5.732 3.648) 7.505 12.160 ( 2.934 3.878 -4.847) 6.866 12.181 ( 2.732 -4.075 2.502) 5.507 12.238 ( 2.193 -3.668 -3.391) 5.455 12.773 ( -0.631 4.316 3.313) 5.478 12.829 ( -1.154 5.569 -2.676) 6.285 12.891 ( -1.277 -7.489 5.062) 9.129 12.969 ( -1.992 -8.398 -3.374) 9.267 ======================= Grid point 200 (73/75) ======================= q-point: ( 0.22 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( 13.416 19.395 15.712) 28.337 3.731 ( 11.902 18.698 -8.713) 23.816 3.832 ( 10.913 -16.486 11.399) 22.821 4.014 ( 17.639 19.229 1.108) 26.118 4.068 ( 7.423 -14.375 -12.775) 20.614 4.177 ( 13.843 21.074 -11.419) 27.679 4.412 ( 17.670 -17.415 5.865) 25.493 4.576 ( 12.219 -16.027 -9.287) 22.190 5.078 ( 0.915 6.201 5.521) 8.353 5.125 ( -2.951 3.931 0.127) 4.917 5.153 ( -4.636 -0.539 0.443) 4.688 5.197 ( -2.991 -2.141 -1.596) 4.009 5.269 ( -1.605 8.889 5.661) 10.660 5.379 ( -3.504 7.091 -4.374) 9.038 5.442 ( -2.101 -5.097 7.032) 8.936 5.512 ( -0.066 6.966 0.289) 6.972 5.565 ( -6.368 2.897 3.891) 8.005 5.628 ( 1.923 15.534 6.324) 16.882 5.668 ( -6.345 4.636 -2.352) 8.202 5.745 ( -4.160 2.493 -1.781) 5.167 5.837 ( -1.420 -7.269 5.331) 9.125 5.985 ( 1.735 -6.458 -3.495) 7.545 6.005 ( 3.534 -1.686 -5.208) 6.516 6.080 ( 2.330 -4.475 -4.857) 7.003 6.615 ( 5.185 7.691 -0.751) 9.306 6.646 ( 2.936 5.243 -3.380) 6.894 6.805 ( 2.702 -8.497 1.184) 8.995 6.849 ( 2.353 -11.237 -3.000) 11.866 7.101 ( -3.911 2.802 2.703) 5.518 7.104 ( -5.696 4.094 2.416) 7.419 7.225 ( 0.838 -2.792 1.902) 3.481 7.266 ( -0.512 -7.614 -2.931) 8.175 7.631 ( 1.136 4.385 2.432) 5.142 7.675 ( 1.475 5.798 -1.528) 6.175 7.766 ( -3.782 -3.873 1.375) 5.585 7.812 ( -5.190 -0.372 -3.638) 6.349 7.963 ( -2.384 -1.520 2.465) 3.750 8.017 ( 0.591 -0.397 -1.443) 1.609 8.051 ( 3.346 -7.816 2.427) 8.842 8.123 ( 4.226 -8.730 -3.505) 10.312 8.578 ( -9.185 4.264 2.989) 10.559 8.623 ( -6.547 3.562 -0.269) 7.459 8.659 ( -7.693 -1.187 1.518) 7.931 8.720 ( -5.195 -3.592 -3.345) 7.147 9.033 ( 3.322 3.642 1.990) 5.316 9.064 ( 2.735 3.634 -0.985) 4.654 9.105 ( 2.830 -2.296 0.986) 3.776 9.137 ( 2.162 -2.521 -2.113) 3.936 10.503 ( 4.337 1.820 1.458) 4.924 10.522 ( 3.992 1.798 -0.335) 4.391 10.535 ( 3.693 -1.268 1.477) 4.174 10.559 ( 3.594 -1.795 -0.884) 4.113 10.847 ( 3.698 1.558 0.238) 4.020 10.855 ( 3.968 1.451 -0.539) 4.259 10.880 ( 4.026 -1.629 0.148) 4.346 10.884 ( 4.131 -1.495 -0.263) 4.401 11.363 ( -5.047 2.346 0.831) 5.627 11.379 ( -5.311 2.457 -0.868) 5.915 11.394 ( -4.930 -0.858 0.856) 5.077 11.413 ( -4.819 -1.027 -1.110) 5.051 11.536 ( 2.102 2.182 0.269) 3.042 11.540 ( 1.863 1.971 -0.106) 2.714 11.573 ( 2.351 -1.100 -0.138) 2.600 11.575 ( 2.264 -1.049 -0.258) 2.509 12.148 ( 3.114 4.841 3.412) 6.692 12.218 ( 2.375 2.291 -3.183) 4.585 12.237 ( 2.366 -3.084 0.985) 4.009 12.279 ( 1.496 -2.906 -2.619) 4.189 12.755 ( -1.049 3.532 2.507) 4.457 12.797 ( -1.863 4.481 -1.910) 5.215 12.853 ( -2.428 -6.030 3.737) 7.498 12.913 ( -3.433 -6.815 -2.627) 8.070 ======================= Grid point 201 (74/75) ======================= q-point: ( 0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.784 ( 17.418 16.318 10.870) 26.226 3.996 ( 14.091 13.520 -11.110) 22.468 4.091 ( 14.003 -14.002 6.229) 20.759 4.236 ( 9.243 -9.638 -9.333) 16.292 4.367 ( 15.386 19.120 1.491) 24.587 4.451 ( 12.898 19.860 -6.182) 24.474 4.705 ( 7.015 -10.692 3.985) 13.395 4.765 ( 6.325 -10.555 -1.876) 12.447 5.030 ( -5.258 2.234 0.148) 5.715 5.047 ( -3.650 3.197 -1.945) 5.228 5.099 ( -1.458 -4.256 3.671) 5.807 5.160 ( 0.908 -6.919 -1.311) 7.100 5.235 ( -2.962 9.920 4.813) 11.417 5.302 ( -4.201 9.434 -1.202) 10.397 5.389 ( -5.743 -1.179 4.682) 7.503 5.408 ( -1.668 1.666 5.128) 5.644 5.477 ( -6.688 8.760 -3.889) 11.687 5.507 ( -5.671 -8.404 -4.329) 11.024 5.611 ( -5.833 -9.950 4.246) 12.290 5.671 ( -3.725 -4.220 -1.804) 5.911 5.885 ( 6.871 5.848 10.726) 14.016 6.032 ( 2.997 -4.975 2.435) 6.298 6.097 ( 3.959 0.867 -8.745) 9.639 6.130 ( 2.590 -1.582 -4.556) 5.474 6.728 ( 1.969 7.021 1.209) 7.391 6.748 ( 5.186 5.466 -1.209) 7.631 6.811 ( -1.277 1.485 1.675) 2.578 6.838 ( -2.887 -2.927 -0.003) 4.111 7.024 ( 1.118 10.994 0.693) 11.072 7.077 ( 3.075 7.216 -3.824) 8.726 7.279 ( 5.774 -10.965 1.052) 12.437 7.307 ( 5.121 -8.812 -2.027) 10.392 7.612 ( -3.093 2.476 0.741) 4.031 7.645 ( -4.777 2.632 -2.074) 5.836 7.703 ( -2.882 -4.488 -1.515) 5.545 7.713 ( -4.862 -2.353 -2.412) 5.915 7.970 ( 3.031 6.398 5.208) 8.789 8.031 ( 0.410 5.867 -0.874) 5.946 8.152 ( 4.531 -9.590 3.508) 11.172 8.203 ( 2.527 -9.382 -1.480) 9.828 8.395 ( -7.261 2.376 2.990) 8.204 8.464 ( -8.131 3.097 -2.458) 9.041 8.482 ( -8.866 -3.422 2.831) 9.916 8.583 ( -7.918 -6.089 -5.952) 11.627 9.095 ( 2.762 2.958 1.524) 4.325 9.118 ( 2.282 3.129 -0.903) 3.976 9.149 ( 1.499 -2.238 1.506) 3.086 9.172 ( 1.036 -2.147 -0.973) 2.575 10.586 ( 3.598 1.501 1.069) 4.043 10.596 ( 3.154 1.686 0.191) 3.581 10.604 ( 2.950 -0.171 1.386) 3.263 10.625 ( 2.708 -0.957 -0.622) 2.939 10.922 ( 3.483 1.778 0.490) 3.941 10.933 ( 3.522 1.636 -0.648) 3.937 10.957 ( 3.325 -1.630 0.338) 3.718 10.963 ( 3.270 -1.335 -0.290) 3.544 11.272 ( -3.645 1.681 0.315) 4.026 11.282 ( -4.058 2.172 -0.777) 4.668 11.301 ( -4.045 -1.370 0.624) 4.316 11.320 ( -4.108 -1.770 -1.352) 4.673 11.593 ( 3.476 2.275 0.268) 4.163 11.598 ( 3.514 2.150 -0.305) 4.131 11.629 ( 2.990 -1.066 0.021) 3.175 11.632 ( 3.013 -1.011 -0.289) 3.191 12.199 ( 1.999 3.471 2.791) 4.882 12.250 ( 0.919 0.805 -1.512) 1.944 12.267 ( 0.620 -1.940 -0.194) 2.045 12.289 ( -0.499 -1.669 -1.468) 2.278 12.735 ( -0.751 2.043 1.398) 2.586 12.760 ( -1.686 2.804 -1.140) 3.465 12.798 ( -2.800 -4.032 2.339) 5.437 12.838 ( -3.805 -4.696 -1.785) 6.302 ======================= Grid point 202 (75/75) ======================= q-point: ( 0.44 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( 15.797 12.456 5.856) 20.952 4.266 ( 11.175 7.815 -8.548) 16.094 4.327 ( 4.282 -3.093 -0.690) 5.327 4.354 ( 0.785 -2.379 -3.212) 4.073 4.612 ( 8.731 9.959 2.697) 13.516 4.639 ( 4.485 9.555 -0.221) 10.558 4.716 ( -0.883 -1.725 2.410) 3.092 4.781 ( -4.803 -3.212 -3.304) 6.656 4.941 ( -2.253 6.694 0.579) 7.086 4.974 ( 2.468 11.029 -3.744) 11.906 5.045 ( -10.170 13.095 5.307) 17.409 5.137 ( -5.717 5.002 -3.395) 8.321 5.204 ( 3.102 -4.130 4.898) 7.118 5.294 ( 4.343 -11.512 -2.655) 12.587 5.323 ( -1.884 -5.891 1.972) 6.492 5.362 ( -1.635 -3.652 -0.358) 4.018 5.415 ( 0.440 0.605 2.877) 2.972 5.452 ( 1.536 -4.071 -1.434) 4.581 5.497 ( -5.446 -13.905 1.803) 15.042 5.555 ( -6.603 -10.228 -3.250) 12.601 6.031 ( 6.429 4.368 7.611) 10.878 6.097 ( 2.075 -0.285 3.121) 3.759 6.140 ( -0.054 -1.742 -0.236) 1.759 6.152 ( -0.357 -0.875 -3.377) 3.506 6.708 ( -0.531 3.898 3.321) 5.148 6.737 ( -2.965 3.636 0.574) 4.727 6.764 ( -1.430 -1.235 -1.175) 2.225 6.798 ( -2.920 -1.540 -3.185) 4.587 7.200 ( 14.527 13.812 3.147) 20.290 7.290 ( 14.919 12.228 -6.564) 20.376 7.432 ( 7.525 -5.492 0.383) 9.324 7.437 ( 6.456 -2.966 -0.387) 7.115 7.485 ( -9.683 5.769 1.978) 11.444 7.543 ( -6.748 3.579 -3.586) 8.438 7.573 ( -8.401 -1.762 -0.891) 8.630 7.595 ( -7.822 -0.510 -2.037) 8.099 8.038 ( 3.573 4.265 2.973) 6.309 8.062 ( 4.062 -0.310 -0.015) 4.074 8.147 ( -5.435 -5.042 1.947) 7.665 8.179 ( -4.515 -6.208 -1.012) 7.743 8.343 ( -1.174 -3.265 3.336) 4.813 8.358 ( -0.296 -2.322 -0.423) 2.379 8.369 ( -0.610 -4.029 -0.139) 4.077 8.440 ( -5.370 -6.859 -5.454) 10.278 9.143 ( 1.972 1.283 0.857) 2.503 9.152 ( 1.177 1.290 -0.078) 1.748 9.164 ( -0.013 -0.721 0.956) 1.198 9.175 ( -0.745 -0.893 -0.232) 1.185 10.640 ( 1.486 1.521 0.803) 2.273 10.644 ( 1.323 0.931 0.995) 1.899 10.646 ( 1.324 0.763 0.608) 1.645 10.658 ( 0.485 -0.089 -0.163) 0.519 10.981 ( 2.248 1.540 0.520) 2.775 10.990 ( 1.976 1.246 -0.372) 2.366 11.002 ( 0.725 -0.236 0.175) 0.782 11.003 ( 0.619 -0.187 0.119) 0.658 11.226 ( -1.253 0.738 -0.243) 1.474 11.227 ( -0.771 -0.004 -0.154) 0.786 11.239 ( -1.827 -1.233 -0.135) 2.208 11.253 ( -2.463 -1.866 -1.351) 3.373 11.659 ( 2.481 1.539 0.060) 2.920 11.662 ( 2.342 1.336 -0.360) 2.720 11.675 ( 1.017 0.062 -0.078) 1.022 11.677 ( 0.971 -0.059 -0.294) 1.016 12.233 ( 1.510 1.704 1.751) 2.873 12.259 ( -0.128 0.061 -0.395) 0.420 12.265 ( -0.822 -0.827 0.160) 1.177 12.269 ( -0.667 -0.786 -0.935) 1.392 12.732 ( 0.510 0.269 0.365) 0.683 12.738 ( -0.169 0.460 -0.318) 0.584 12.751 ( -1.636 -1.704 0.942) 2.544 12.770 ( -2.713 -2.394 -0.959) 3.743 =================== 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 3/29160 10.0 1998.528 2980.079 6437.271 0.000 0.000 0.000 3/29160 20.0 2899.202 3475.551 5001.592 0.000 0.000 0.000 3/29160 30.0 1635.370 1690.701 1907.222 0.000 0.000 0.000 3/29160 40.0 864.656 851.534 838.906 0.000 0.000 -0.000 3/29160 50.0 497.934 481.401 442.401 0.000 0.000 -0.000 3/29160 60.0 319.771 307.776 271.432 0.000 0.000 -0.000 3/29160 70.0 224.927 216.909 186.057 0.000 0.000 -0.000 3/29160 80.0 169.497 164.186 138.013 0.000 0.000 -0.000 3/29160 90.0 134.466 130.919 108.354 0.000 0.000 -0.000 3/29160 100.0 110.884 108.486 88.687 0.000 0.000 -0.000 3/29160 110.0 94.177 92.539 74.893 0.000 0.000 -0.000 3/29160 120.0 81.837 80.710 64.777 0.000 0.000 -0.000 3/29160 130.0 72.404 71.629 57.085 0.000 0.000 -0.000 3/29160 140.0 64.984 64.455 51.062 0.000 0.000 -0.000 3/29160 150.0 59.007 58.651 46.226 0.000 0.000 -0.000 3/29160 160.0 54.092 53.862 42.264 0.000 0.000 -0.000 3/29160 170.0 49.980 49.843 38.960 0.000 0.000 -0.000 3/29160 180.0 46.489 46.420 36.163 0.000 0.000 -0.000 3/29160 190.0 43.486 43.468 33.763 0.000 0.000 -0.000 3/29160 200.0 40.875 40.896 31.682 0.000 0.000 -0.000 3/29160 210.0 38.581 38.631 29.859 0.000 0.000 -0.000 3/29160 220.0 36.549 36.622 28.247 0.000 0.000 -0.000 3/29160 230.0 34.736 34.826 26.812 0.000 0.000 -0.000 3/29160 240.0 33.106 33.210 25.525 0.000 0.000 -0.000 3/29160 250.0 31.633 31.747 24.364 0.000 0.000 -0.000 3/29160 260.0 30.294 30.416 23.311 0.000 0.000 -0.000 3/29160 270.0 29.071 29.199 22.351 0.000 0.000 -0.000 3/29160 280.0 27.950 28.081 21.471 0.000 0.000 -0.000 3/29160 290.0 26.916 27.051 20.663 0.000 0.000 -0.000 3/29160 300.0 25.961 26.099 19.916 0.000 0.000 -0.000 3/29160 310.0 25.075 25.214 19.225 0.000 0.000 -0.000 3/29160 320.0 24.251 24.391 18.582 0.000 0.000 -0.000 3/29160 330.0 23.482 23.623 17.984 0.000 0.000 -0.000 3/29160 340.0 22.763 22.904 17.425 0.000 0.000 -0.000 3/29160 350.0 22.089 22.230 16.901 0.000 0.000 -0.000 3/29160 360.0 21.455 21.596 16.409 0.000 0.000 -0.000 3/29160 370.0 20.859 20.999 15.947 0.000 0.000 -0.000 3/29160 380.0 20.296 20.435 15.511 0.000 0.000 -0.000 3/29160 390.0 19.763 19.902 15.099 0.000 0.000 -0.000 3/29160 400.0 19.260 19.397 14.709 0.000 0.000 -0.000 3/29160 410.0 18.782 18.918 14.340 0.000 0.000 -0.000 3/29160 420.0 18.328 18.463 13.990 0.000 0.000 -0.000 3/29160 430.0 17.897 18.031 13.657 0.000 0.000 -0.000 3/29160 440.0 17.486 17.619 13.340 0.000 0.000 -0.000 3/29160 450.0 17.094 17.225 13.038 0.000 0.000 -0.000 3/29160 460.0 16.720 16.850 12.750 0.000 0.000 -0.000 3/29160 470.0 16.362 16.491 12.475 0.000 0.000 -0.000 3/29160 480.0 16.020 16.148 12.211 0.000 0.000 -0.000 3/29160 490.0 15.692 15.818 11.959 0.000 0.000 -0.000 3/29160 500.0 15.378 15.503 11.718 0.000 0.000 -0.000 3/29160 510.0 15.076 15.200 11.486 0.000 0.000 -0.000 3/29160 520.0 14.787 14.909 11.264 0.000 0.000 -0.000 3/29160 530.0 14.508 14.629 11.050 0.000 0.000 -0.000 3/29160 540.0 14.240 14.360 10.844 0.000 0.000 -0.000 3/29160 550.0 13.982 14.101 10.647 0.000 0.000 -0.000 3/29160 560.0 13.734 13.851 10.456 0.000 0.000 -0.000 3/29160 570.0 13.494 13.610 10.272 0.000 0.000 -0.000 3/29160 580.0 13.263 13.378 10.095 0.000 0.000 -0.000 3/29160 590.0 13.039 13.153 9.924 0.000 0.000 -0.000 3/29160 600.0 12.824 12.936 9.759 0.000 0.000 -0.000 3/29160 610.0 12.615 12.727 9.599 0.000 0.000 -0.000 3/29160 620.0 12.413 12.524 9.445 0.000 0.000 -0.000 3/29160 630.0 12.218 12.327 9.295 0.000 0.000 -0.000 3/29160 640.0 12.029 12.137 9.150 0.000 0.000 -0.000 3/29160 650.0 11.846 11.953 9.010 0.000 0.000 -0.000 3/29160 660.0 11.668 11.774 8.874 0.000 0.000 -0.000 3/29160 670.0 11.496 11.600 8.743 0.000 0.000 -0.000 3/29160 680.0 11.328 11.432 8.615 0.000 0.000 -0.000 3/29160 690.0 11.166 11.269 8.491 0.000 0.000 -0.000 3/29160 700.0 11.008 11.110 8.370 0.000 0.000 -0.000 3/29160 710.0 10.855 10.956 8.253 0.000 0.000 -0.000 3/29160 720.0 10.706 10.806 8.139 0.000 0.000 -0.000 3/29160 730.0 10.561 10.660 8.029 0.000 0.000 -0.000 3/29160 740.0 10.420 10.518 7.921 0.000 0.000 -0.000 3/29160 750.0 10.283 10.380 7.816 0.000 0.000 -0.000 3/29160 760.0 10.149 10.246 7.714 0.000 0.000 -0.000 3/29160 770.0 10.019 10.114 7.615 0.000 0.000 -0.000 3/29160 780.0 9.893 9.987 7.518 0.000 0.000 -0.000 3/29160 790.0 9.769 9.862 7.424 0.000 0.000 -0.000 3/29160 800.0 9.649 9.741 7.332 0.000 0.000 -0.000 3/29160 810.0 9.531 9.623 7.243 0.000 0.000 -0.000 3/29160 820.0 9.416 9.507 7.155 0.000 0.000 -0.000 3/29160 830.0 9.305 9.395 7.070 0.000 0.000 -0.000 3/29160 840.0 9.195 9.285 6.987 0.000 0.000 -0.000 3/29160 850.0 9.089 9.177 6.905 0.000 0.000 -0.000 3/29160 860.0 8.984 9.072 6.826 0.000 0.000 -0.000 3/29160 870.0 8.883 8.970 6.748 0.000 0.000 -0.000 3/29160 880.0 8.783 8.869 6.672 0.000 0.000 -0.000 3/29160 890.0 8.686 8.771 6.598 0.000 0.000 -0.000 3/29160 900.0 8.591 8.675 6.526 0.000 0.000 -0.000 3/29160 910.0 8.498 8.582 6.455 0.000 0.000 -0.000 3/29160 920.0 8.407 8.490 6.386 0.000 0.000 -0.000 3/29160 930.0 8.318 8.400 6.318 0.000 0.000 -0.000 3/29160 940.0 8.230 8.312 6.251 0.000 0.000 -0.000 3/29160 950.0 8.145 8.226 6.186 0.000 0.000 -0.000 3/29160 960.0 8.061 8.142 6.123 0.000 0.000 -0.000 3/29160 970.0 7.980 8.059 6.060 0.000 0.000 -0.000 3/29160 980.0 7.899 7.979 5.999 0.000 0.000 -0.000 3/29160 990.0 7.821 7.899 5.939 0.000 0.000 -0.000 3/29160 1000.0 7.744 7.822 5.881 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m995.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:44:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|