# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/12d2622d-8289-412b-b24e-2c9548ae1484/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for InTeBr / P2_1/c (14) / materials id 29236](https://mdr.nims.go.jp/datasets/394f48cd-9e73-4975-ae42-672817a9a213) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 07:55:48]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 48------------------------------ primitive cell ------------------------------Lattice vectors: a 7.325577127218478 0.000000000000000 0.000000000000000 b 0.000000000000000 7.509041740000000 0.000000000000000 c -3.927451569451011 0.000000000000000 7.424874758903452Atomic positions (fractional): *1 In 0.02229336346958 0.29563126586202 0.88611595927098 114.818 2 In 0.97770663653042 0.79563126586202 0.61388404072902 114.818 3 In 0.97770663653042 0.70436873413798 0.11388404072902 114.818 4 In 0.02229336346958 0.20436873413798 0.38611595927098 114.818 *5 Te 0.77669545415990 0.12842136160223 0.55797359718952 127.600 6 Te 0.22330454584010 0.62842136160223 0.94202640281048 127.600 7 Te 0.22330454584010 0.87157863839777 0.44202640281048 127.600 8 Te 0.77669545415990 0.37157863839777 0.05797359718952 127.600 *9 Br 0.31834298024909 0.09123745597530 0.08850529530711 79.904 10 Br 0.68165701975091 0.59123745597530 0.41149470469289 79.904 11 Br 0.68165701975091 0.90876254402470 0.91149470469289 79.904 12 Br 0.31834298024909 0.40876254402470 0.58850529530711 79.904-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.325577127218478 0.000000000000000 0.000000000000000 b 0.000000000000000 7.509041740000000 0.000000000000000 c -3.927451569451011 0.000000000000000 7.424874758903452Atomic positions (fractional): *1 In 0.02229336346958 0.29563126586202 0.88611595927098 114.818 > 1 2 In 0.97770663653042 0.79563126586202 0.61388404072902 114.818 > 2 3 In 0.97770663653042 0.70436873413798 0.11388404072902 114.818 > 3 4 In 0.02229336346958 0.20436873413798 0.38611595927098 114.818 > 4 *5 Te 0.77669545415990 0.12842136160223 0.55797359718952 127.600 > 5 6 Te 0.22330454584010 0.62842136160223 0.94202640281048 127.600 > 6 7 Te 0.22330454584010 0.87157863839777 0.44202640281048 127.600 > 7 8 Te 0.77669545415990 0.37157863839777 0.05797359718952 127.600 > 8 *9 Br 0.31834298024909 0.09123745597530 0.08850529530711 79.904 > 9 10 Br 0.68165701975091 0.59123745597530 0.41149470469289 79.904 > 10 11 Br 0.68165701975091 0.90876254402470 0.91149470469289 79.904 > 11 12 Br 0.31834298024909 0.40876254402470 0.58850529530711 79.904 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 21.976731381655433 0.000000000000000 0.000000000000000 b 0.000000000000000 15.018083480000000 0.000000000000000 c -7.854903138902022 0.000000000000000 14.849749517806904Atomic positions (fractional): *1 In 0.00743112115653 0.14781563293101 0.44305797963549 114.818 > 1 2 In 0.34076445448986 0.14781563293101 0.44305797963549 114.818 > 1 3 In 0.67409778782319 0.14781563293101 0.44305797963549 114.818 > 1 4 In 0.00743112115653 0.64781563293101 0.44305797963549 114.818 > 1 5 In 0.34076445448986 0.64781563293101 0.44305797963549 114.818 > 1 6 In 0.67409778782319 0.64781563293101 0.44305797963549 114.818 > 1 7 In 0.00743112115653 0.14781563293101 0.94305797963549 114.818 > 1 8 In 0.34076445448986 0.14781563293101 0.94305797963549 114.818 > 1 9 In 0.67409778782319 0.14781563293101 0.94305797963549 114.818 > 1 10 In 0.00743112115653 0.64781563293101 0.94305797963549 114.818 > 1 11 In 0.34076445448986 0.64781563293101 0.94305797963549 114.818 > 1 12 In 0.67409778782319 0.64781563293101 0.94305797963549 114.818 > 1 13 In 0.32590221217681 0.39781563293101 0.30694202036451 114.818 > 2 14 In 0.65923554551014 0.39781563293101 0.30694202036451 114.818 > 2 15 In 0.99256887884347 0.39781563293101 0.30694202036451 114.818 > 2 16 In 0.32590221217681 0.89781563293101 0.30694202036451 114.818 > 2 17 In 0.65923554551014 0.89781563293101 0.30694202036451 114.818 > 2 18 In 0.99256887884347 0.89781563293101 0.30694202036451 114.818 > 2 19 In 0.32590221217681 0.39781563293101 0.80694202036451 114.818 > 2 20 In 0.65923554551014 0.39781563293101 0.80694202036451 114.818 > 2 21 In 0.99256887884347 0.39781563293101 0.80694202036451 114.818 > 2 22 In 0.32590221217681 0.89781563293101 0.80694202036451 114.818 > 2 23 In 0.65923554551014 0.89781563293101 0.80694202036451 114.818 > 2 24 In 0.99256887884347 0.89781563293101 0.80694202036451 114.818 > 2 25 In 0.32590221217681 0.35218436706899 0.05694202036451 114.818 > 3 26 In 0.65923554551014 0.35218436706899 0.05694202036451 114.818 > 3 27 In 0.99256887884347 0.35218436706899 0.05694202036451 114.818 > 3 28 In 0.32590221217681 0.85218436706899 0.05694202036451 114.818 > 3 29 In 0.65923554551014 0.85218436706899 0.05694202036451 114.818 > 3 30 In 0.99256887884347 0.85218436706899 0.05694202036451 114.818 > 3 31 In 0.32590221217681 0.35218436706899 0.55694202036451 114.818 > 3 32 In 0.65923554551014 0.35218436706899 0.55694202036451 114.818 > 3 33 In 0.99256887884347 0.35218436706899 0.55694202036451 114.818 > 3 34 In 0.32590221217681 0.85218436706899 0.55694202036451 114.818 > 3 35 In 0.65923554551014 0.85218436706899 0.55694202036451 114.818 > 3 36 In 0.99256887884347 0.85218436706899 0.55694202036451 114.818 > 3 37 In 0.00743112115653 0.10218436706899 0.19305797963549 114.818 > 4 38 In 0.34076445448986 0.10218436706899 0.19305797963549 114.818 > 4 39 In 0.67409778782319 0.10218436706899 0.19305797963549 114.818 > 4 40 In 0.00743112115653 0.60218436706899 0.19305797963549 114.818 > 4 41 In 0.34076445448986 0.60218436706899 0.19305797963549 114.818 > 4 42 In 0.67409778782319 0.60218436706899 0.19305797963549 114.818 > 4 43 In 0.00743112115653 0.10218436706899 0.69305797963549 114.818 > 4 44 In 0.34076445448986 0.10218436706899 0.69305797963549 114.818 > 4 45 In 0.67409778782319 0.10218436706899 0.69305797963549 114.818 > 4 46 In 0.00743112115653 0.60218436706899 0.69305797963549 114.818 > 4 47 In 0.34076445448986 0.60218436706899 0.69305797963549 114.818 > 4 48 In 0.67409778782319 0.60218436706899 0.69305797963549 114.818 > 4 *49 Te 0.25889848471997 0.06421068080111 0.27898679859476 127.600 > 5 50 Te 0.59223181805330 0.06421068080111 0.27898679859476 127.600 > 5 51 Te 0.92556515138663 0.06421068080111 0.27898679859476 127.600 > 5 52 Te 0.25889848471997 0.56421068080111 0.27898679859476 127.600 > 5 53 Te 0.59223181805330 0.56421068080111 0.27898679859476 127.600 > 5 54 Te 0.92556515138663 0.56421068080111 0.27898679859476 127.600 > 5 55 Te 0.25889848471997 0.06421068080111 0.77898679859476 127.600 > 5 56 Te 0.59223181805330 0.06421068080111 0.77898679859476 127.600 > 5 57 Te 0.92556515138663 0.06421068080111 0.77898679859476 127.600 > 5 58 Te 0.25889848471997 0.56421068080111 0.77898679859476 127.600 > 5 59 Te 0.59223181805330 0.56421068080111 0.77898679859476 127.600 > 5 60 Te 0.92556515138663 0.56421068080111 0.77898679859476 127.600 > 5 61 Te 0.07443484861337 0.31421068080111 0.47101320140524 127.600 > 6 62 Te 0.40776818194670 0.31421068080111 0.47101320140524 127.600 > 6 63 Te 0.74110151528003 0.31421068080111 0.47101320140524 127.600 > 6 64 Te 0.07443484861337 0.81421068080111 0.47101320140524 127.600 > 6 65 Te 0.40776818194670 0.81421068080111 0.47101320140524 127.600 > 6 66 Te 0.74110151528003 0.81421068080111 0.47101320140524 127.600 > 6 67 Te 0.07443484861337 0.31421068080111 0.97101320140524 127.600 > 6 68 Te 0.40776818194670 0.31421068080111 0.97101320140524 127.600 > 6 69 Te 0.74110151528003 0.31421068080111 0.97101320140524 127.600 > 6 70 Te 0.07443484861337 0.81421068080111 0.97101320140524 127.600 > 6 71 Te 0.40776818194670 0.81421068080111 0.97101320140524 127.600 > 6 72 Te 0.74110151528003 0.81421068080111 0.97101320140524 127.600 > 6 73 Te 0.07443484861337 0.43578931919889 0.22101320140524 127.600 > 7 74 Te 0.40776818194670 0.43578931919889 0.22101320140524 127.600 > 7 75 Te 0.74110151528003 0.43578931919889 0.22101320140524 127.600 > 7 76 Te 0.07443484861337 0.93578931919889 0.22101320140524 127.600 > 7 77 Te 0.40776818194670 0.93578931919889 0.22101320140524 127.600 > 7 78 Te 0.74110151528003 0.93578931919889 0.22101320140524 127.600 > 7 79 Te 0.07443484861337 0.43578931919889 0.72101320140524 127.600 > 7 80 Te 0.40776818194670 0.43578931919889 0.72101320140524 127.600 > 7 81 Te 0.74110151528003 0.43578931919889 0.72101320140524 127.600 > 7 82 Te 0.07443484861337 0.93578931919889 0.72101320140524 127.600 > 7 83 Te 0.40776818194670 0.93578931919889 0.72101320140524 127.600 > 7 84 Te 0.74110151528003 0.93578931919889 0.72101320140524 127.600 > 7 85 Te 0.25889848471997 0.18578931919889 0.02898679859476 127.600 > 8 86 Te 0.59223181805330 0.18578931919889 0.02898679859476 127.600 > 8 87 Te 0.92556515138663 0.18578931919889 0.02898679859476 127.600 > 8 88 Te 0.25889848471997 0.68578931919889 0.02898679859476 127.600 > 8 89 Te 0.59223181805330 0.68578931919889 0.02898679859476 127.600 > 8 90 Te 0.92556515138663 0.68578931919889 0.02898679859476 127.600 > 8 91 Te 0.25889848471997 0.18578931919889 0.52898679859476 127.600 > 8 92 Te 0.59223181805330 0.18578931919889 0.52898679859476 127.600 > 8 93 Te 0.92556515138663 0.18578931919889 0.52898679859476 127.600 > 8 94 Te 0.25889848471997 0.68578931919889 0.52898679859476 127.600 > 8 95 Te 0.59223181805330 0.68578931919889 0.52898679859476 127.600 > 8 96 Te 0.92556515138663 0.68578931919889 0.52898679859476 127.600 > 8 *97 Br 0.10611432674970 0.04561872798765 0.04425264765355 79.904 > 9 98 Br 0.43944766008303 0.04561872798765 0.04425264765355 79.904 > 9 99 Br 0.77278099341636 0.04561872798765 0.04425264765355 79.904 > 9 100 Br 0.10611432674970 0.54561872798765 0.04425264765355 79.904 > 9 101 Br 0.43944766008303 0.54561872798765 0.04425264765355 79.904 > 9 102 Br 0.77278099341636 0.54561872798765 0.04425264765355 79.904 > 9 103 Br 0.10611432674970 0.04561872798765 0.54425264765355 79.904 > 9 104 Br 0.43944766008303 0.04561872798765 0.54425264765355 79.904 > 9 105 Br 0.77278099341636 0.04561872798765 0.54425264765355 79.904 > 9 106 Br 0.10611432674970 0.54561872798765 0.54425264765355 79.904 > 9 107 Br 0.43944766008303 0.54561872798765 0.54425264765355 79.904 > 9 108 Br 0.77278099341636 0.54561872798765 0.54425264765355 79.904 > 9 109 Br 0.22721900658364 0.29561872798765 0.20574735234645 79.904 > 10 110 Br 0.56055233991697 0.29561872798765 0.20574735234645 79.904 > 10 111 Br 0.89388567325030 0.29561872798765 0.20574735234645 79.904 > 10 112 Br 0.22721900658364 0.79561872798765 0.20574735234645 79.904 > 10 113 Br 0.56055233991697 0.79561872798765 0.20574735234645 79.904 > 10 114 Br 0.89388567325030 0.79561872798765 0.20574735234645 79.904 > 10 115 Br 0.22721900658364 0.29561872798765 0.70574735234645 79.904 > 10 116 Br 0.56055233991697 0.29561872798765 0.70574735234645 79.904 > 10 117 Br 0.89388567325030 0.29561872798765 0.70574735234645 79.904 > 10 118 Br 0.22721900658364 0.79561872798765 0.70574735234645 79.904 > 10 119 Br 0.56055233991697 0.79561872798765 0.70574735234645 79.904 > 10 120 Br 0.89388567325030 0.79561872798765 0.70574735234645 79.904 > 10 121 Br 0.22721900658364 0.45438127201235 0.45574735234645 79.904 > 11 122 Br 0.56055233991697 0.45438127201235 0.45574735234645 79.904 > 11 123 Br 0.89388567325030 0.45438127201235 0.45574735234645 79.904 > 11 124 Br 0.22721900658364 0.95438127201235 0.45574735234645 79.904 > 11 125 Br 0.56055233991697 0.95438127201235 0.45574735234645 79.904 > 11 126 Br 0.89388567325030 0.95438127201235 0.45574735234645 79.904 > 11 127 Br 0.22721900658364 0.45438127201235 0.95574735234645 79.904 > 11 128 Br 0.56055233991697 0.45438127201235 0.95574735234645 79.904 > 11 129 Br 0.89388567325030 0.45438127201235 0.95574735234645 79.904 > 11 130 Br 0.22721900658364 0.95438127201235 0.95574735234645 79.904 > 11 131 Br 0.56055233991697 0.95438127201235 0.95574735234645 79.904 > 11 132 Br 0.89388567325030 0.95438127201235 0.95574735234645 79.904 > 11 133 Br 0.10611432674970 0.20438127201235 0.29425264765355 79.904 > 12 134 Br 0.43944766008303 0.20438127201235 0.29425264765355 79.904 > 12 135 Br 0.77278099341636 0.20438127201235 0.29425264765355 79.904 > 12 136 Br 0.10611432674970 0.70438127201235 0.29425264765355 79.904 > 12 137 Br 0.43944766008303 0.70438127201235 0.29425264765355 79.904 > 12 138 Br 0.77278099341636 0.70438127201235 0.29425264765355 79.904 > 12 139 Br 0.10611432674970 0.20438127201235 0.79425264765355 79.904 > 12 140 Br 0.43944766008303 0.20438127201235 0.79425264765355 79.904 > 12 141 Br 0.77278099341636 0.20438127201235 0.79425264765355 79.904 > 12 142 Br 0.10611432674970 0.70438127201235 0.79425264765355 79.904 > 12 143 Br 0.43944766008303 0.70438127201235 0.79425264765355 79.904 > 12 144 Br 0.77278099341636 0.70438127201235 0.79425264765355 79.904 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.9200530 0.0000000 -0.7574709 0.0000000 7.7709388 0.0000000 -0.7574709 0.0000000 7.2115845-------------------------- Born effective charges -------------------------- 1 In 1.7262583 -0.3635045 -0.5282420 0.1420160 3.0199974 0.4407526 -0.5105643 0.0829378 2.7236776 2 In 1.7262583 0.3635045 -0.5282420 -0.1420160 3.0199974 -0.4407526 -0.5105643 -0.0829378 2.7236776 3 In 1.7262583 -0.3635045 -0.5282420 0.1420160 3.0199974 0.4407526 -0.5105643 0.0829378 2.7236776 4 In 1.7262583 0.3635045 -0.5282420 -0.1420160 3.0199974 -0.4407526 -0.5105643 -0.0829378 2.7236776 5 Te -0.5728612 0.2246826 0.6888875 0.3356566 -1.0998419 -0.4834691 0.7914147 -0.6558889 -1.2652618 6 Te -0.5728612 -0.2246826 0.6888875 -0.3356566 -1.0998419 0.4834691 0.7914147 0.6558889 -1.2652618 7 Te -0.5728612 0.2246826 0.6888875 0.3356566 -1.0998419 -0.4834691 0.7914147 -0.6558889 -1.2652618 8 Te -0.5728612 -0.2246826 0.6888875 -0.3356566 -1.0998419 0.4834691 0.7914147 0.6558889 -1.2652618 9 Br -1.1533971 0.0557665 -0.1606455 0.2639226 -1.9201555 0.4537842 -0.2808504 0.5358430 -1.4584158 10 Br -1.1533971 -0.0557665 -0.1606455 -0.2639226 -1.9201555 -0.4537842 -0.2808504 -0.5358430 -1.4584158 11 Br -1.1533971 0.0557665 -0.1606455 0.2639226 -1.9201555 0.4537842 -0.2808504 0.5358430 -1.4584158 12 Br -1.1533971 -0.0557665 -0.1606455 -0.2639226 -1.9201555 -0.4537842 -0.2808504 -0.5358430 -1.4584158----------------------------------------------------------------------------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: 432/432Permutation basis: 8352/8352Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2016Number of blocks in projector: 2016Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 240Use standard eigh solver.Tree of FC basis block matrices:- (2016, 1990), data: False|-- (240, 237), data: True|-- (240, 237), data: True|-- (240, 237), data: True|-- (432, 427), data: True|-- (432, 426), data: True|-- (432, 426), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 400 - Time: 5.328Solver_block: 200 / 400 - Time: 5.395Solver_block: 300 / 400 - Time: 4.933Solver_block: 400 / 400 - Time: 4.707Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.615--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432Permutation basis: 8352/8352Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2016Number of blocks in projector: 2016Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 432Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 240Use standard eigh solver.Tree of FC basis block matrices:- (2016, 1990), data: False|-- (240, 237), data: True|-- (240, 237), data: True|-- (240, 237), data: True|-- (432, 427), data: True|-- (432, 426), data: True|-- (432, 426), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 07:56:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:56:45]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.325577127218478 0.000000000000000 0.000000000000000 b 0.000000000000000 7.509041740000000 0.000000000000000 c -3.927451569451011 0.000000000000000 7.424874758903452Atomic positions (fractional): 1 In 0.02229336346958 0.29563126586202 0.88611595927098 114.818 2 In 0.97770663653042 0.79563126586202 0.61388404072902 114.818 3 In 0.97770663653042 0.70436873413798 0.11388404072902 114.818 4 In 0.02229336346958 0.20436873413798 0.38611595927098 114.818 5 Te 0.77669545415990 0.12842136160223 0.55797359718952 127.600 6 Te 0.22330454584010 0.62842136160223 0.94202640281048 127.600 7 Te 0.22330454584010 0.87157863839777 0.44202640281048 127.600 8 Te 0.77669545415990 0.37157863839777 0.05797359718952 127.600 9 Br 0.31834298024909 0.09123745597530 0.08850529530711 79.904 10 Br 0.68165701975091 0.59123745597530 0.41149470469289 79.904 11 Br 0.68165701975091 0.90876254402470 0.91149470469289 79.904 12 Br 0.31834298024909 0.40876254402470 0.58850529530711 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 21.976731381655433 0.000000000000000 0.000000000000000 b 0.000000000000000 15.018083480000000 0.000000000000000 c -7.854903138902022 0.000000000000000 14.849749517806904Atomic positions (fractional): 1 In 0.00743112115653 0.14781563293101 0.44305797963549 114.818 > 1 2 In 0.34076445448986 0.14781563293101 0.44305797963549 114.818 > 1 3 In 0.67409778782319 0.14781563293101 0.44305797963549 114.818 > 1 4 In 0.00743112115653 0.64781563293101 0.44305797963549 114.818 > 1 5 In 0.34076445448986 0.64781563293101 0.44305797963549 114.818 > 1 6 In 0.67409778782319 0.64781563293101 0.44305797963549 114.818 > 1 7 In 0.00743112115653 0.14781563293101 0.94305797963549 114.818 > 1 8 In 0.34076445448986 0.14781563293101 0.94305797963549 114.818 > 1 9 In 0.67409778782319 0.14781563293101 0.94305797963549 114.818 > 1 10 In 0.00743112115653 0.64781563293101 0.94305797963549 114.818 > 1 11 In 0.34076445448986 0.64781563293101 0.94305797963549 114.818 > 1 12 In 0.67409778782319 0.64781563293101 0.94305797963549 114.818 > 1 13 In 0.32590221217681 0.39781563293101 0.30694202036451 114.818 > 13 14 In 0.65923554551014 0.39781563293101 0.30694202036451 114.818 > 13 15 In 0.99256887884347 0.39781563293101 0.30694202036451 114.818 > 13 16 In 0.32590221217681 0.89781563293101 0.30694202036451 114.818 > 13 17 In 0.65923554551014 0.89781563293101 0.30694202036451 114.818 > 13 18 In 0.99256887884347 0.89781563293101 0.30694202036451 114.818 > 13 19 In 0.32590221217681 0.39781563293101 0.80694202036451 114.818 > 13 20 In 0.65923554551014 0.39781563293101 0.80694202036451 114.818 > 13 21 In 0.99256887884347 0.39781563293101 0.80694202036451 114.818 > 13 22 In 0.32590221217681 0.89781563293101 0.80694202036451 114.818 > 13 23 In 0.65923554551014 0.89781563293101 0.80694202036451 114.818 > 13 24 In 0.99256887884347 0.89781563293101 0.80694202036451 114.818 > 13 25 In 0.32590221217681 0.35218436706899 0.05694202036451 114.818 > 25 26 In 0.65923554551014 0.35218436706899 0.05694202036451 114.818 > 25 27 In 0.99256887884347 0.35218436706899 0.05694202036451 114.818 > 25 28 In 0.32590221217681 0.85218436706899 0.05694202036451 114.818 > 25 29 In 0.65923554551014 0.85218436706899 0.05694202036451 114.818 > 25 30 In 0.99256887884347 0.85218436706899 0.05694202036451 114.818 > 25 31 In 0.32590221217681 0.35218436706899 0.55694202036451 114.818 > 25 32 In 0.65923554551014 0.35218436706899 0.55694202036451 114.818 > 25 33 In 0.99256887884347 0.35218436706899 0.55694202036451 114.818 > 25 34 In 0.32590221217681 0.85218436706899 0.55694202036451 114.818 > 25 35 In 0.65923554551014 0.85218436706899 0.55694202036451 114.818 > 25 36 In 0.99256887884347 0.85218436706899 0.55694202036451 114.818 > 25 37 In 0.00743112115653 0.10218436706899 0.19305797963549 114.818 > 37 38 In 0.34076445448986 0.10218436706899 0.19305797963549 114.818 > 37 39 In 0.67409778782319 0.10218436706899 0.19305797963549 114.818 > 37 40 In 0.00743112115653 0.60218436706899 0.19305797963549 114.818 > 37 41 In 0.34076445448986 0.60218436706899 0.19305797963549 114.818 > 37 42 In 0.67409778782319 0.60218436706899 0.19305797963549 114.818 > 37 43 In 0.00743112115653 0.10218436706899 0.69305797963549 114.818 > 37 44 In 0.34076445448986 0.10218436706899 0.69305797963549 114.818 > 37 45 In 0.67409778782319 0.10218436706899 0.69305797963549 114.818 > 37 46 In 0.00743112115653 0.60218436706899 0.69305797963549 114.818 > 37 47 In 0.34076445448986 0.60218436706899 0.69305797963549 114.818 > 37 48 In 0.67409778782319 0.60218436706899 0.69305797963549 114.818 > 37 49 Te 0.25889848471997 0.06421068080111 0.27898679859476 127.600 > 49 50 Te 0.59223181805330 0.06421068080111 0.27898679859476 127.600 > 49 51 Te 0.92556515138663 0.06421068080111 0.27898679859476 127.600 > 49 52 Te 0.25889848471997 0.56421068080111 0.27898679859476 127.600 > 49 53 Te 0.59223181805330 0.56421068080111 0.27898679859476 127.600 > 49 54 Te 0.92556515138663 0.56421068080111 0.27898679859476 127.600 > 49 55 Te 0.25889848471997 0.06421068080111 0.77898679859476 127.600 > 49 56 Te 0.59223181805330 0.06421068080111 0.77898679859476 127.600 > 49 57 Te 0.92556515138663 0.06421068080111 0.77898679859476 127.600 > 49 58 Te 0.25889848471997 0.56421068080111 0.77898679859476 127.600 > 49 59 Te 0.59223181805330 0.56421068080111 0.77898679859476 127.600 > 49 60 Te 0.92556515138663 0.56421068080111 0.77898679859476 127.600 > 49 61 Te 0.07443484861337 0.31421068080111 0.47101320140524 127.600 > 61 62 Te 0.40776818194670 0.31421068080111 0.47101320140524 127.600 > 61 63 Te 0.74110151528003 0.31421068080111 0.47101320140524 127.600 > 61 64 Te 0.07443484861337 0.81421068080111 0.47101320140524 127.600 > 61 65 Te 0.40776818194670 0.81421068080111 0.47101320140524 127.600 > 61 66 Te 0.74110151528003 0.81421068080111 0.47101320140524 127.600 > 61 67 Te 0.07443484861337 0.31421068080111 0.97101320140524 127.600 > 61 68 Te 0.40776818194670 0.31421068080111 0.97101320140524 127.600 > 61 69 Te 0.74110151528003 0.31421068080111 0.97101320140524 127.600 > 61 70 Te 0.07443484861337 0.81421068080111 0.97101320140524 127.600 > 61 71 Te 0.40776818194670 0.81421068080111 0.97101320140524 127.600 > 61 72 Te 0.74110151528003 0.81421068080111 0.97101320140524 127.600 > 61 73 Te 0.07443484861337 0.43578931919889 0.22101320140524 127.600 > 73 74 Te 0.40776818194670 0.43578931919889 0.22101320140524 127.600 > 73 75 Te 0.74110151528003 0.43578931919889 0.22101320140524 127.600 > 73 76 Te 0.07443484861337 0.93578931919889 0.22101320140524 127.600 > 73 77 Te 0.40776818194670 0.93578931919889 0.22101320140524 127.600 > 73 78 Te 0.74110151528003 0.93578931919889 0.22101320140524 127.600 > 73 79 Te 0.07443484861337 0.43578931919889 0.72101320140524 127.600 > 73 80 Te 0.40776818194670 0.43578931919889 0.72101320140524 127.600 > 73 81 Te 0.74110151528003 0.43578931919889 0.72101320140524 127.600 > 73 82 Te 0.07443484861337 0.93578931919889 0.72101320140524 127.600 > 73 83 Te 0.40776818194670 0.93578931919889 0.72101320140524 127.600 > 73 84 Te 0.74110151528003 0.93578931919889 0.72101320140524 127.600 > 73 85 Te 0.25889848471997 0.18578931919889 0.02898679859476 127.600 > 85 86 Te 0.59223181805330 0.18578931919889 0.02898679859476 127.600 > 85 87 Te 0.92556515138663 0.18578931919889 0.02898679859476 127.600 > 85 88 Te 0.25889848471997 0.68578931919889 0.02898679859476 127.600 > 85 89 Te 0.59223181805330 0.68578931919889 0.02898679859476 127.600 > 85 90 Te 0.92556515138663 0.68578931919889 0.02898679859476 127.600 > 85 91 Te 0.25889848471997 0.18578931919889 0.52898679859476 127.600 > 85 92 Te 0.59223181805330 0.18578931919889 0.52898679859476 127.600 > 85 93 Te 0.92556515138663 0.18578931919889 0.52898679859476 127.600 > 85 94 Te 0.25889848471997 0.68578931919889 0.52898679859476 127.600 > 85 95 Te 0.59223181805330 0.68578931919889 0.52898679859476 127.600 > 85 96 Te 0.92556515138663 0.68578931919889 0.52898679859476 127.600 > 85 97 Br 0.10611432674970 0.04561872798765 0.04425264765355 79.904 > 97 98 Br 0.43944766008303 0.04561872798765 0.04425264765355 79.904 > 97 99 Br 0.77278099341636 0.04561872798765 0.04425264765355 79.904 > 97 100 Br 0.10611432674970 0.54561872798765 0.04425264765355 79.904 > 97 101 Br 0.43944766008303 0.54561872798765 0.04425264765355 79.904 > 97 102 Br 0.77278099341636 0.54561872798765 0.04425264765355 79.904 > 97 103 Br 0.10611432674970 0.04561872798765 0.54425264765355 79.904 > 97 104 Br 0.43944766008303 0.04561872798765 0.54425264765355 79.904 > 97 105 Br 0.77278099341636 0.04561872798765 0.54425264765355 79.904 > 97 106 Br 0.10611432674970 0.54561872798765 0.54425264765355 79.904 > 97 107 Br 0.43944766008303 0.54561872798765 0.54425264765355 79.904 > 97 108 Br 0.77278099341636 0.54561872798765 0.54425264765355 79.904 > 97 109 Br 0.22721900658364 0.29561872798765 0.20574735234645 79.904 > 109 110 Br 0.56055233991697 0.29561872798765 0.20574735234645 79.904 > 109 111 Br 0.89388567325030 0.29561872798765 0.20574735234645 79.904 > 109 112 Br 0.22721900658364 0.79561872798765 0.20574735234645 79.904 > 109 113 Br 0.56055233991697 0.79561872798765 0.20574735234645 79.904 > 109 114 Br 0.89388567325030 0.79561872798765 0.20574735234645 79.904 > 109 115 Br 0.22721900658364 0.29561872798765 0.70574735234645 79.904 > 109 116 Br 0.56055233991697 0.29561872798765 0.70574735234645 79.904 > 109 117 Br 0.89388567325030 0.29561872798765 0.70574735234645 79.904 > 109 118 Br 0.22721900658364 0.79561872798765 0.70574735234645 79.904 > 109 119 Br 0.56055233991697 0.79561872798765 0.70574735234645 79.904 > 109 120 Br 0.89388567325030 0.79561872798765 0.70574735234645 79.904 > 109 121 Br 0.22721900658364 0.45438127201235 0.45574735234645 79.904 > 121 122 Br 0.56055233991697 0.45438127201235 0.45574735234645 79.904 > 121 123 Br 0.89388567325030 0.45438127201235 0.45574735234645 79.904 > 121 124 Br 0.22721900658364 0.95438127201235 0.45574735234645 79.904 > 121 125 Br 0.56055233991697 0.95438127201235 0.45574735234645 79.904 > 121 126 Br 0.89388567325030 0.95438127201235 0.45574735234645 79.904 > 121 127 Br 0.22721900658364 0.45438127201235 0.95574735234645 79.904 > 121 128 Br 0.56055233991697 0.45438127201235 0.95574735234645 79.904 > 121 129 Br 0.89388567325030 0.45438127201235 0.95574735234645 79.904 > 121 130 Br 0.22721900658364 0.95438127201235 0.95574735234645 79.904 > 121 131 Br 0.56055233991697 0.95438127201235 0.95574735234645 79.904 > 121 132 Br 0.89388567325030 0.95438127201235 0.95574735234645 79.904 > 121 133 Br 0.10611432674970 0.20438127201235 0.29425264765355 79.904 > 133 134 Br 0.43944766008303 0.20438127201235 0.29425264765355 79.904 > 133 135 Br 0.77278099341636 0.20438127201235 0.29425264765355 79.904 > 133 136 Br 0.10611432674970 0.70438127201235 0.29425264765355 79.904 > 133 137 Br 0.43944766008303 0.70438127201235 0.29425264765355 79.904 > 133 138 Br 0.77278099341636 0.70438127201235 0.29425264765355 79.904 > 133 139 Br 0.10611432674970 0.20438127201235 0.79425264765355 79.904 > 133 140 Br 0.43944766008303 0.20438127201235 0.79425264765355 79.904 > 133 141 Br 0.77278099341636 0.20438127201235 0.79425264765355 79.904 > 133 142 Br 0.10611432674970 0.70438127201235 0.79425264765355 79.904 > 133 143 Br 0.43944766008303 0.70438127201235 0.79425264765355 79.904 > 133 144 Br 0.77278099341636 0.70438127201235 0.79425264765355 79.904 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.9200530 0.0000000 -0.7574709 0.0000000 7.7709388 0.0000000 -0.7574709 0.0000000 7.2115845-------------------------- Born effective charges -------------------------- 1 In 1.7262583 -0.3635045 -0.5282420 0.1420160 3.0199974 0.4407526 -0.5105643 0.0829378 2.7236776 2 In 1.7262583 0.3635045 -0.5282420 -0.1420160 3.0199974 -0.4407526 -0.5105643 -0.0829378 2.7236776 3 In 1.7262583 -0.3635045 -0.5282420 0.1420160 3.0199974 0.4407526 -0.5105643 0.0829378 2.7236776 4 In 1.7262583 0.3635045 -0.5282420 -0.1420160 3.0199974 -0.4407526 -0.5105643 -0.0829378 2.7236776 5 Te -0.5728612 0.2246826 0.6888875 0.3356566 -1.0998419 -0.4834691 0.7914147 -0.6558889 -1.2652618 6 Te -0.5728612 -0.2246826 0.6888875 -0.3356566 -1.0998419 0.4834691 0.7914147 0.6558889 -1.2652618 7 Te -0.5728612 0.2246826 0.6888875 0.3356566 -1.0998419 -0.4834691 0.7914147 -0.6558889 -1.2652618 8 Te -0.5728612 -0.2246826 0.6888875 -0.3356566 -1.0998419 0.4834691 0.7914147 0.6558889 -1.2652618 9 Br -1.1533971 0.0557665 -0.1606455 0.2639226 -1.9201555 0.4537842 -0.2808504 0.5358430 -1.4584158 10 Br -1.1533971 -0.0557665 -0.1606455 -0.2639226 -1.9201555 -0.4537842 -0.2808504 -0.5358430 -1.4584158 11 Br -1.1533971 0.0557665 -0.1606455 0.2639226 -1.9201555 0.4537842 -0.2808504 0.5358430 -1.4584158 12 Br -1.1533971 -0.0557665 -0.1606455 -0.2639226 -1.9201555 -0.4537842 -0.2808504 -0.5358430 -1.4584158----------------------------------------------------------------------------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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088]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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088]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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:57:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:57:08]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.325577127218478 0.000000000000000 0.000000000000000 b 0.000000000000000 7.509041740000000 0.000000000000000 c -3.927451569451011 0.000000000000000 7.424874758903452Atomic positions (fractional): 1 In 0.02229336346958 0.29563126586202 0.88611595927098 114.818 2 In 0.97770663653042 0.79563126586202 0.61388404072902 114.818 3 In 0.97770663653042 0.70436873413798 0.11388404072902 114.818 4 In 0.02229336346958 0.20436873413798 0.38611595927098 114.818 5 Te 0.77669545415990 0.12842136160223 0.55797359718952 127.600 6 Te 0.22330454584010 0.62842136160223 0.94202640281048 127.600 7 Te 0.22330454584010 0.87157863839777 0.44202640281048 127.600 8 Te 0.77669545415990 0.37157863839777 0.05797359718952 127.600 9 Br 0.31834298024909 0.09123745597530 0.08850529530711 79.904 10 Br 0.68165701975091 0.59123745597530 0.41149470469289 79.904 11 Br 0.68165701975091 0.90876254402470 0.91149470469289 79.904 12 Br 0.31834298024909 0.40876254402470 0.58850529530711 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 21.976731381655433 0.000000000000000 0.000000000000000 b 0.000000000000000 15.018083480000000 0.000000000000000 c -7.854903138902022 0.000000000000000 14.849749517806904Atomic positions (fractional): 1 In 0.00743112115653 0.14781563293101 0.44305797963549 114.818 > 1 2 In 0.34076445448986 0.14781563293101 0.44305797963549 114.818 > 1 3 In 0.67409778782319 0.14781563293101 0.44305797963549 114.818 > 1 4 In 0.00743112115653 0.64781563293101 0.44305797963549 114.818 > 1 5 In 0.34076445448986 0.64781563293101 0.44305797963549 114.818 > 1 6 In 0.67409778782319 0.64781563293101 0.44305797963549 114.818 > 1 7 In 0.00743112115653 0.14781563293101 0.94305797963549 114.818 > 1 8 In 0.34076445448986 0.14781563293101 0.94305797963549 114.818 > 1 9 In 0.67409778782319 0.14781563293101 0.94305797963549 114.818 > 1 10 In 0.00743112115653 0.64781563293101 0.94305797963549 114.818 > 1 11 In 0.34076445448986 0.64781563293101 0.94305797963549 114.818 > 1 12 In 0.67409778782319 0.64781563293101 0.94305797963549 114.818 > 1 13 In 0.32590221217681 0.39781563293101 0.30694202036451 114.818 > 13 14 In 0.65923554551014 0.39781563293101 0.30694202036451 114.818 > 13 15 In 0.99256887884347 0.39781563293101 0.30694202036451 114.818 > 13 16 In 0.32590221217681 0.89781563293101 0.30694202036451 114.818 > 13 17 In 0.65923554551014 0.89781563293101 0.30694202036451 114.818 > 13 18 In 0.99256887884347 0.89781563293101 0.30694202036451 114.818 > 13 19 In 0.32590221217681 0.39781563293101 0.80694202036451 114.818 > 13 20 In 0.65923554551014 0.39781563293101 0.80694202036451 114.818 > 13 21 In 0.99256887884347 0.39781563293101 0.80694202036451 114.818 > 13 22 In 0.32590221217681 0.89781563293101 0.80694202036451 114.818 > 13 23 In 0.65923554551014 0.89781563293101 0.80694202036451 114.818 > 13 24 In 0.99256887884347 0.89781563293101 0.80694202036451 114.818 > 13 25 In 0.32590221217681 0.35218436706899 0.05694202036451 114.818 > 25 26 In 0.65923554551014 0.35218436706899 0.05694202036451 114.818 > 25 27 In 0.99256887884347 0.35218436706899 0.05694202036451 114.818 > 25 28 In 0.32590221217681 0.85218436706899 0.05694202036451 114.818 > 25 29 In 0.65923554551014 0.85218436706899 0.05694202036451 114.818 > 25 30 In 0.99256887884347 0.85218436706899 0.05694202036451 114.818 > 25 31 In 0.32590221217681 0.35218436706899 0.55694202036451 114.818 > 25 32 In 0.65923554551014 0.35218436706899 0.55694202036451 114.818 > 25 33 In 0.99256887884347 0.35218436706899 0.55694202036451 114.818 > 25 34 In 0.32590221217681 0.85218436706899 0.55694202036451 114.818 > 25 35 In 0.65923554551014 0.85218436706899 0.55694202036451 114.818 > 25 36 In 0.99256887884347 0.85218436706899 0.55694202036451 114.818 > 25 37 In 0.00743112115653 0.10218436706899 0.19305797963549 114.818 > 37 38 In 0.34076445448986 0.10218436706899 0.19305797963549 114.818 > 37 39 In 0.67409778782319 0.10218436706899 0.19305797963549 114.818 > 37 40 In 0.00743112115653 0.60218436706899 0.19305797963549 114.818 > 37 41 In 0.34076445448986 0.60218436706899 0.19305797963549 114.818 > 37 42 In 0.67409778782319 0.60218436706899 0.19305797963549 114.818 > 37 43 In 0.00743112115653 0.10218436706899 0.69305797963549 114.818 > 37 44 In 0.34076445448986 0.10218436706899 0.69305797963549 114.818 > 37 45 In 0.67409778782319 0.10218436706899 0.69305797963549 114.818 > 37 46 In 0.00743112115653 0.60218436706899 0.69305797963549 114.818 > 37 47 In 0.34076445448986 0.60218436706899 0.69305797963549 114.818 > 37 48 In 0.67409778782319 0.60218436706899 0.69305797963549 114.818 > 37 49 Te 0.25889848471997 0.06421068080111 0.27898679859476 127.600 > 49 50 Te 0.59223181805330 0.06421068080111 0.27898679859476 127.600 > 49 51 Te 0.92556515138663 0.06421068080111 0.27898679859476 127.600 > 49 52 Te 0.25889848471997 0.56421068080111 0.27898679859476 127.600 > 49 53 Te 0.59223181805330 0.56421068080111 0.27898679859476 127.600 > 49 54 Te 0.92556515138663 0.56421068080111 0.27898679859476 127.600 > 49 55 Te 0.25889848471997 0.06421068080111 0.77898679859476 127.600 > 49 56 Te 0.59223181805330 0.06421068080111 0.77898679859476 127.600 > 49 57 Te 0.92556515138663 0.06421068080111 0.77898679859476 127.600 > 49 58 Te 0.25889848471997 0.56421068080111 0.77898679859476 127.600 > 49 59 Te 0.59223181805330 0.56421068080111 0.77898679859476 127.600 > 49 60 Te 0.92556515138663 0.56421068080111 0.77898679859476 127.600 > 49 61 Te 0.07443484861337 0.31421068080111 0.47101320140524 127.600 > 61 62 Te 0.40776818194670 0.31421068080111 0.47101320140524 127.600 > 61 63 Te 0.74110151528003 0.31421068080111 0.47101320140524 127.600 > 61 64 Te 0.07443484861337 0.81421068080111 0.47101320140524 127.600 > 61 65 Te 0.40776818194670 0.81421068080111 0.47101320140524 127.600 > 61 66 Te 0.74110151528003 0.81421068080111 0.47101320140524 127.600 > 61 67 Te 0.07443484861337 0.31421068080111 0.97101320140524 127.600 > 61 68 Te 0.40776818194670 0.31421068080111 0.97101320140524 127.600 > 61 69 Te 0.74110151528003 0.31421068080111 0.97101320140524 127.600 > 61 70 Te 0.07443484861337 0.81421068080111 0.97101320140524 127.600 > 61 71 Te 0.40776818194670 0.81421068080111 0.97101320140524 127.600 > 61 72 Te 0.74110151528003 0.81421068080111 0.97101320140524 127.600 > 61 73 Te 0.07443484861337 0.43578931919889 0.22101320140524 127.600 > 73 74 Te 0.40776818194670 0.43578931919889 0.22101320140524 127.600 > 73 75 Te 0.74110151528003 0.43578931919889 0.22101320140524 127.600 > 73 76 Te 0.07443484861337 0.93578931919889 0.22101320140524 127.600 > 73 77 Te 0.40776818194670 0.93578931919889 0.22101320140524 127.600 > 73 78 Te 0.74110151528003 0.93578931919889 0.22101320140524 127.600 > 73 79 Te 0.07443484861337 0.43578931919889 0.72101320140524 127.600 > 73 80 Te 0.40776818194670 0.43578931919889 0.72101320140524 127.600 > 73 81 Te 0.74110151528003 0.43578931919889 0.72101320140524 127.600 > 73 82 Te 0.07443484861337 0.93578931919889 0.72101320140524 127.600 > 73 83 Te 0.40776818194670 0.93578931919889 0.72101320140524 127.600 > 73 84 Te 0.74110151528003 0.93578931919889 0.72101320140524 127.600 > 73 85 Te 0.25889848471997 0.18578931919889 0.02898679859476 127.600 > 85 86 Te 0.59223181805330 0.18578931919889 0.02898679859476 127.600 > 85 87 Te 0.92556515138663 0.18578931919889 0.02898679859476 127.600 > 85 88 Te 0.25889848471997 0.68578931919889 0.02898679859476 127.600 > 85 89 Te 0.59223181805330 0.68578931919889 0.02898679859476 127.600 > 85 90 Te 0.92556515138663 0.68578931919889 0.02898679859476 127.600 > 85 91 Te 0.25889848471997 0.18578931919889 0.52898679859476 127.600 > 85 92 Te 0.59223181805330 0.18578931919889 0.52898679859476 127.600 > 85 93 Te 0.92556515138663 0.18578931919889 0.52898679859476 127.600 > 85 94 Te 0.25889848471997 0.68578931919889 0.52898679859476 127.600 > 85 95 Te 0.59223181805330 0.68578931919889 0.52898679859476 127.600 > 85 96 Te 0.92556515138663 0.68578931919889 0.52898679859476 127.600 > 85 97 Br 0.10611432674970 0.04561872798765 0.04425264765355 79.904 > 97 98 Br 0.43944766008303 0.04561872798765 0.04425264765355 79.904 > 97 99 Br 0.77278099341636 0.04561872798765 0.04425264765355 79.904 > 97 100 Br 0.10611432674970 0.54561872798765 0.04425264765355 79.904 > 97 101 Br 0.43944766008303 0.54561872798765 0.04425264765355 79.904 > 97 102 Br 0.77278099341636 0.54561872798765 0.04425264765355 79.904 > 97 103 Br 0.10611432674970 0.04561872798765 0.54425264765355 79.904 > 97 104 Br 0.43944766008303 0.04561872798765 0.54425264765355 79.904 > 97 105 Br 0.77278099341636 0.04561872798765 0.54425264765355 79.904 > 97 106 Br 0.10611432674970 0.54561872798765 0.54425264765355 79.904 > 97 107 Br 0.43944766008303 0.54561872798765 0.54425264765355 79.904 > 97 108 Br 0.77278099341636 0.54561872798765 0.54425264765355 79.904 > 97 109 Br 0.22721900658364 0.29561872798765 0.20574735234645 79.904 > 109 110 Br 0.56055233991697 0.29561872798765 0.20574735234645 79.904 > 109 111 Br 0.89388567325030 0.29561872798765 0.20574735234645 79.904 > 109 112 Br 0.22721900658364 0.79561872798765 0.20574735234645 79.904 > 109 113 Br 0.56055233991697 0.79561872798765 0.20574735234645 79.904 > 109 114 Br 0.89388567325030 0.79561872798765 0.20574735234645 79.904 > 109 115 Br 0.22721900658364 0.29561872798765 0.70574735234645 79.904 > 109 116 Br 0.56055233991697 0.29561872798765 0.70574735234645 79.904 > 109 117 Br 0.89388567325030 0.29561872798765 0.70574735234645 79.904 > 109 118 Br 0.22721900658364 0.79561872798765 0.70574735234645 79.904 > 109 119 Br 0.56055233991697 0.79561872798765 0.70574735234645 79.904 > 109 120 Br 0.89388567325030 0.79561872798765 0.70574735234645 79.904 > 109 121 Br 0.22721900658364 0.45438127201235 0.45574735234645 79.904 > 121 122 Br 0.56055233991697 0.45438127201235 0.45574735234645 79.904 > 121 123 Br 0.89388567325030 0.45438127201235 0.45574735234645 79.904 > 121 124 Br 0.22721900658364 0.95438127201235 0.45574735234645 79.904 > 121 125 Br 0.56055233991697 0.95438127201235 0.45574735234645 79.904 > 121 126 Br 0.89388567325030 0.95438127201235 0.45574735234645 79.904 > 121 127 Br 0.22721900658364 0.45438127201235 0.95574735234645 79.904 > 121 128 Br 0.56055233991697 0.45438127201235 0.95574735234645 79.904 > 121 129 Br 0.89388567325030 0.45438127201235 0.95574735234645 79.904 > 121 130 Br 0.22721900658364 0.95438127201235 0.95574735234645 79.904 > 121 131 Br 0.56055233991697 0.95438127201235 0.95574735234645 79.904 > 121 132 Br 0.89388567325030 0.95438127201235 0.95574735234645 79.904 > 121 133 Br 0.10611432674970 0.20438127201235 0.29425264765355 79.904 > 133 134 Br 0.43944766008303 0.20438127201235 0.29425264765355 79.904 > 133 135 Br 0.77278099341636 0.20438127201235 0.29425264765355 79.904 > 133 136 Br 0.10611432674970 0.70438127201235 0.29425264765355 79.904 > 133 137 Br 0.43944766008303 0.70438127201235 0.29425264765355 79.904 > 133 138 Br 0.77278099341636 0.70438127201235 0.29425264765355 79.904 > 133 139 Br 0.10611432674970 0.20438127201235 0.79425264765355 79.904 > 133 140 Br 0.43944766008303 0.20438127201235 0.79425264765355 79.904 > 133 141 Br 0.77278099341636 0.20438127201235 0.79425264765355 79.904 > 133 142 Br 0.10611432674970 0.70438127201235 0.79425264765355 79.904 > 133 143 Br 0.43944766008303 0.70438127201235 0.79425264765355 79.904 > 133 144 Br 0.77278099341636 0.70438127201235 0.79425264765355 79.904 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.9200530 0.0000000 -0.7574709 0.0000000 7.7709388 0.0000000 -0.7574709 0.0000000 7.2115845-------------------------- Born effective charges -------------------------- 1 In 1.7262583 -0.3635045 -0.5282420 0.1420160 3.0199974 0.4407526 -0.5105643 0.0829378 2.7236776 2 In 1.7262583 0.3635045 -0.5282420 -0.1420160 3.0199974 -0.4407526 -0.5105643 -0.0829378 2.7236776 3 In 1.7262583 -0.3635045 -0.5282420 0.1420160 3.0199974 0.4407526 -0.5105643 0.0829378 2.7236776 4 In 1.7262583 0.3635045 -0.5282420 -0.1420160 3.0199974 -0.4407526 -0.5105643 -0.0829378 2.7236776 5 Te -0.5728612 0.2246826 0.6888875 0.3356566 -1.0998419 -0.4834691 0.7914147 -0.6558889 -1.2652618 6 Te -0.5728612 -0.2246826 0.6888875 -0.3356566 -1.0998419 0.4834691 0.7914147 0.6558889 -1.2652618 7 Te -0.5728612 0.2246826 0.6888875 0.3356566 -1.0998419 -0.4834691 0.7914147 -0.6558889 -1.2652618 8 Te -0.5728612 -0.2246826 0.6888875 -0.3356566 -1.0998419 0.4834691 0.7914147 0.6558889 -1.2652618 9 Br -1.1533971 0.0557665 -0.1606455 0.2639226 -1.9201555 0.4537842 -0.2808504 0.5358430 -1.4584158 10 Br -1.1533971 -0.0557665 -0.1606455 -0.2639226 -1.9201555 -0.4537842 -0.2808504 -0.5358430 -1.4584158 11 Br -1.1533971 0.0557665 -0.1606455 0.2639226 -1.9201555 0.4537842 -0.2808504 0.5358430 -1.4584158 12 Br -1.1533971 -0.0557665 -0.1606455 -0.2639226 -1.9201555 -0.4537842 -0.2808504 -0.5358430 -1.4584158----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 8 7 7 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 307, Lambda: 0.15Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/116) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.794 ( 0.000 0.000 0.000) 0.000 0.885 ( 0.000 0.000 0.000) 0.000 0.986 ( 0.000 0.000 0.000) 0.000 1.108 ( 0.000 0.000 0.000) 0.000 1.154 ( 0.000 0.000 0.000) 0.000 1.242 ( 0.000 0.000 0.000) 0.000 1.289 ( 0.000 0.000 0.000) 0.000 1.560 ( 0.000 0.000 0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.705 ( 0.000 0.000 0.000) 0.000 1.711 ( 0.000 0.000 0.000) 0.000 2.055 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.658 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.387 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/116) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.149 ( 9.600 0.000 -2.538) 9.930 0.248 ( 14.919 0.000 -2.473) 15.122 0.321 ( 10.780 0.000 13.447) 17.235 0.834 ( 1.933 0.000 3.456) 3.960 0.877 ( -0.732 0.000 -0.224) 0.765 1.011 ( -0.315 0.000 6.038) 6.046 1.117 ( 0.076 0.000 1.690) 1.692 1.190 ( 3.328 0.000 0.954) 3.462 1.220 ( -0.580 0.000 -1.018) 1.172 1.329 ( 2.495 0.000 1.609) 2.969 1.533 ( -2.410 0.000 -0.880) 2.565 1.666 ( 0.458 0.000 -1.027) 1.125 1.698 ( -0.462 0.000 0.434) 0.634 1.721 ( 0.917 0.000 -0.613) 1.103 1.749 ( 6.859 0.000 -12.247) 14.036 2.074 ( -4.004 0.000 3.822) 5.536 2.100 ( -0.918 0.000 0.661) 1.131 2.190 ( -0.453 0.000 -0.180) 0.488 2.233 ( 0.106 0.000 0.701) 0.709 2.480 ( 0.136 0.000 -2.079) 2.083 3.467 ( -0.365 0.000 -0.385) 0.531 3.614 ( 0.770 0.000 -1.631) 1.804 3.662 ( -0.340 0.000 1.298) 1.341 4.098 ( -0.464 0.000 -0.025) 0.465 4.129 ( -0.213 0.000 0.023) 0.215 4.315 ( 0.010 0.000 -0.055) 0.056 4.581 ( 0.190 0.000 -0.068) 0.202 4.877 ( 0.319 0.000 -0.618) 0.695 5.115 ( -0.010 0.000 -0.268) 0.268 5.362 ( 0.418 0.000 -2.147) 2.187 5.386 ( -0.758 0.000 1.282) 1.490 5.590 ( -0.327 0.000 0.147) 0.359 6.029 ( 0.583 0.000 -0.113) 0.594 6.130 ( 0.900 0.000 1.037) 1.373 6.154 ( -0.803 0.000 0.230) 0.836 6.438 ( -5.161 0.000 9.071) 10.436======================= Grid point 2 (3/116) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.274 ( 7.057 0.000 -1.796) 7.282 0.446 ( 10.499 0.000 -2.810) 10.868 0.595 ( 8.804 0.000 9.585) 13.014 0.858 ( -0.714 0.000 -0.924) 1.167 0.885 ( 0.241 0.000 2.869) 2.879 1.080 ( -0.393 0.000 9.717) 9.725 1.140 ( 0.405 0.000 2.704) 2.734 1.218 ( 1.712 0.000 -1.960) 2.603 1.265 ( 3.102 0.000 2.236) 3.824 1.386 ( 2.096 0.000 1.940) 2.856 1.476 ( -3.483 0.000 -0.024) 3.483 1.671 ( 1.694 0.000 -1.705) 2.404 1.695 ( -0.397 0.000 0.178) 0.435 1.726 ( 0.401 0.000 -0.902) 0.987 1.749 ( 1.533 0.000 -3.754) 4.055 2.031 ( -3.310 0.000 0.979) 3.452 2.090 ( -1.172 0.000 1.170) 1.656 2.179 ( -0.674 0.000 -0.052) 0.676 2.249 ( 0.407 0.000 1.701) 1.749 2.456 ( 0.049 0.000 -3.430) 3.431 3.457 ( -0.220 0.000 -0.386) 0.444 3.613 ( 1.035 0.000 -2.021) 2.270 3.668 ( -0.457 0.000 1.372) 1.446 4.089 ( -0.550 0.000 -0.027) 0.550 4.126 ( -0.145 0.000 0.064) 0.159 4.315 ( 0.067 0.000 -0.127) 0.143 4.582 ( -0.092 0.000 -0.084) 0.124 4.877 ( 0.406 0.000 -0.850) 0.942 5.113 ( 0.095 0.000 -0.305) 0.320 5.348 ( 0.103 0.000 -1.901) 1.904 5.385 ( -0.601 0.000 1.102) 1.255 5.585 ( -0.495 0.000 0.197) 0.533 6.042 ( 1.062 0.000 -0.280) 1.099 6.137 ( -1.446 0.000 0.390) 1.498 6.163 ( 1.461 0.000 1.495) 2.090 6.429 ( -2.515 0.000 3.429) 4.252======================= Grid point 3 (4/116) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.353 ( 3.626 0.000 -0.951) 3.749 0.548 ( 4.382 0.000 -2.205) 4.906 0.783 ( 5.343 0.000 4.657) 7.088 0.841 ( -0.252 0.000 -0.909) 0.943 0.903 ( -0.426 0.000 1.973) 2.019 1.149 ( -0.626 0.000 6.491) 6.522 1.179 ( 0.908 0.000 3.031) 3.164 1.233 ( 1.768 0.000 -1.797) 2.521 1.314 ( 1.322 0.000 -0.598) 1.451 1.426 ( -2.867 0.000 1.678) 3.322 1.432 ( 1.287 0.000 1.599) 2.052 1.686 ( -0.442 0.000 -0.423) 0.612 1.692 ( 2.657 0.000 -2.243) 3.477 1.720 ( -0.139 0.000 -0.669) 0.683 1.735 ( -1.067 0.000 -0.003) 1.067 1.989 ( -1.869 0.000 0.052) 1.869 2.083 ( -0.769 0.000 0.956) 1.227 2.169 ( -0.413 0.000 0.122) 0.430 2.274 ( 0.350 0.000 1.989) 2.020 2.426 ( 0.097 0.000 -3.019) 3.021 3.454 ( 0.066 0.000 -0.152) 0.166 3.613 ( 0.716 0.000 -1.347) 1.525 3.670 ( -0.392 0.000 0.862) 0.946 4.081 ( -0.309 0.000 -0.013) 0.309 4.126 ( 0.014 0.000 0.068) 0.069 4.315 ( 0.087 0.000 -0.120) 0.148 4.577 ( -0.285 0.000 -0.105) 0.304 4.876 ( 0.245 0.000 -0.587) 0.637 5.113 ( 0.155 0.000 -0.161) 0.223 5.334 ( -0.080 0.000 -1.018) 1.022 5.386 ( -0.178 0.000 0.560) 0.588 5.578 ( -0.371 0.000 0.132) 0.394 6.060 ( 1.403 0.000 -0.419) 1.464 6.113 ( -1.722 0.000 0.460) 1.782 6.200 ( 1.242 0.000 1.116) 1.670 6.416 ( -1.362 0.000 1.207) 1.820======================= Grid point 4 (5/116) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.380 ( 0.000 0.000 0.000) 0.000 0.572 ( 0.000 0.000 -0.000) 0.000 0.832 ( 0.000 0.000 0.000) 0.000 0.855 ( 0.000 0.000 -0.000) 0.000 0.908 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.207 ( 0.000 0.000 0.000) 0.000 1.240 ( 0.000 0.000 -0.000) 0.000 1.313 ( -0.000 0.000 0.000) 0.000 1.411 ( 0.000 0.000 0.000) 0.000 1.452 ( 0.000 0.000 -0.000) 0.000 1.679 ( -0.000 0.000 -0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 1.715 ( -0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 -0.000) 0.000 1.973 ( 0.000 0.000 -0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 -0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 3.454 ( 0.000 0.000 -0.000) 0.000 3.613 ( 0.000 0.000 -0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 -0.000) 0.000 4.127 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 -0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 -0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.387 ( 0.000 0.000 -0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 6.076 ( 0.000 0.000 -0.000) 0.000 6.094 ( -0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000======================= Grid point 9 (6/116) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.155 ( 0.000 9.422 0.000) 9.422 0.290 ( 0.000 14.984 0.000) 14.984 0.569 ( 0.000 28.312 0.000) 28.312 0.791 ( 0.000 0.061 0.000) 0.061 0.913 ( 0.000 1.962 0.000) 1.962 0.985 ( 0.000 0.026 0.000) 0.026 1.092 ( 0.000 -1.620 0.000) 1.620 1.160 ( 0.000 0.379 0.000) 0.379 1.253 ( 0.000 1.388 0.000) 1.388 1.312 ( 0.000 -1.745 0.000) 1.745 1.532 ( 0.000 -2.934 0.000) 2.934 1.658 ( 0.000 0.917 0.000) 0.917 1.677 ( 0.000 1.326 0.000) 1.326 1.714 ( 0.000 0.059 0.000) 0.059 1.867 ( 0.000 -3.013 0.000) 3.013 1.967 ( 0.000 -5.509 0.000) 5.509 2.134 ( 0.000 -0.112 0.000) 0.112 2.144 ( 0.000 -5.263 0.000) 5.263 2.360 ( 0.000 -0.691 0.000) 0.691 2.483 ( 0.000 -0.295 0.000) 0.295 3.482 ( 0.000 0.783 0.000) 0.783 3.649 ( 0.000 -0.993 0.000) 0.993 3.654 ( 0.000 3.808 0.000) 3.808 4.077 ( 0.000 -2.574 0.000) 2.574 4.142 ( 0.000 1.114 0.000) 1.114 4.304 ( 0.000 -1.076 0.000) 1.076 4.596 ( 0.000 1.733 0.000) 1.733 4.861 ( 0.000 -1.679 0.000) 1.679 5.367 ( 0.000 0.063 0.000) 0.063 5.388 ( 0.000 0.087 0.000) 0.087 5.476 ( 0.000 -0.383 0.000) 0.383 5.585 ( 0.000 -0.784 0.000) 0.784 6.128 ( 0.000 1.060 0.000) 1.060 6.155 ( 0.000 -0.150 0.000) 0.150 6.207 ( 0.000 1.311 0.000) 1.311 6.248 ( 0.000 0.497 0.000) 0.497======================= Grid point 10 (7/116) =======================q-point: ( 0.12 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.326 ( 9.791 4.688 5.220) 12.045 0.384 ( 6.785 10.246 6.089) 13.715 0.592 ( 3.316 26.301 -1.385) 26.545 0.833 ( 1.721 0.022 3.875) 4.240 0.909 ( -0.486 2.668 0.534) 2.764 1.007 ( 0.087 -0.122 4.508) 4.511 1.100 ( -1.007 -1.314 4.237) 4.549 1.185 ( 2.833 -0.507 -0.625) 2.945 1.226 ( -1.047 0.859 -0.580) 1.473 1.347 ( 2.125 -0.401 1.377) 2.564 1.503 ( -2.355 -2.279 -0.092) 3.279 1.674 ( 0.515 1.249 -0.805) 1.572 1.684 ( 1.538 -0.641 -0.092) 1.669 1.715 ( 0.389 0.644 -0.182) 0.774 1.847 ( 0.396 0.728 -4.346) 4.425 1.966 ( -1.522 -6.075 2.032) 6.584 2.109 ( -3.117 -3.660 1.490) 5.033 2.135 ( 0.290 -2.407 -1.990) 3.137 2.316 ( -2.273 3.036 -0.830) 3.882 2.474 ( -0.133 -0.385 -1.769) 1.815 3.476 ( -0.456 0.810 -0.275) 0.969 3.643 ( 1.840 0.843 -4.076) 4.550 3.662 ( -1.341 1.849 3.419) 4.112 4.073 ( -0.355 -2.524 -0.128) 2.552 4.140 ( -0.245 1.098 0.027) 1.126 4.305 ( 0.026 -1.029 0.054) 1.031 4.598 ( 0.214 1.723 -0.121) 1.740 4.861 ( 0.299 -1.669 -0.604) 1.800 5.313 ( -6.387 7.470 -4.777) 10.928 5.367 ( -0.680 0.693 -1.735) 1.988 5.393 ( -0.650 1.193 0.107) 1.363 5.584 ( -0.341 -0.716 0.268) 0.837 6.068 ( -2.421 2.739 -1.441) 3.930 6.133 ( -0.594 0.176 0.308) 0.692 6.176 ( 0.956 2.549 0.611) 2.790 6.379 ( 0.971 -3.328 6.582) 7.439======================= Grid point 11 (8/116) =======================q-point: ( 0.25 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( 7.142 6.937 0.970) 10.004 0.566 ( 6.709 8.906 2.544) 11.437 0.659 ( 4.361 14.972 2.752) 15.835 0.873 ( 0.165 0.891 1.120) 1.441 0.919 ( 0.206 3.902 1.809) 4.306 1.060 ( -0.460 -1.438 7.186) 7.342 1.132 ( -0.026 -0.938 4.640) 4.734 1.201 ( 0.379 -1.169 -0.599) 1.366 1.261 ( 3.647 -0.147 1.093) 3.810 1.395 ( 1.645 0.013 1.851) 2.476 1.462 ( -2.359 -1.214 0.137) 2.656 1.680 ( 0.603 0.889 0.034) 1.075 1.691 ( 0.764 -0.551 -2.236) 2.426 1.729 ( 0.568 0.639 0.835) 1.195 1.808 ( -1.036 2.419 -3.059) 4.035 1.948 ( -1.550 -5.040 0.144) 5.275 2.076 ( -2.445 -6.218 2.178) 7.027 2.121 ( -0.094 -1.507 -1.500) 2.128 2.295 ( -0.725 2.796 1.262) 3.151 2.447 ( -0.324 -0.553 -3.061) 3.128 3.465 ( -0.392 0.760 -0.281) 0.900 3.641 ( 2.192 1.276 -3.899) 4.652 3.667 ( -1.486 1.275 3.067) 3.638 4.065 ( -0.422 -2.417 -0.130) 2.457 4.136 ( -0.170 1.054 0.053) 1.069 4.306 ( 0.090 -0.909 -0.024) 0.914 4.599 ( -0.021 1.743 -0.151) 1.750 4.861 ( 0.396 -1.656 -0.834) 1.896 5.206 ( -2.475 7.192 -2.138) 7.901 5.347 ( -0.150 -0.080 -1.732) 1.740 5.390 ( -0.523 0.566 0.843) 1.142 5.579 ( -0.483 -0.643 0.243) 0.841 6.049 ( 0.132 0.824 -0.089) 0.839 6.122 ( -1.243 -0.647 0.557) 1.508 6.209 ( 1.572 3.748 1.405) 4.300 6.418 ( -0.603 -0.744 3.045) 3.192======================= Grid point 12 (9/116) =======================q-point: ( 0.38 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.591 ( 1.749 10.318 3.772) 11.125 0.632 ( 4.627 13.499 -6.540) 15.697 0.772 ( 2.939 0.336 4.926) 5.746 0.884 ( 0.741 3.511 -0.095) 3.590 0.930 ( -0.584 3.468 1.405) 3.787 1.110 ( -0.366 -3.429 5.502) 6.493 1.165 ( 0.374 -1.369 0.350) 1.461 1.213 ( 0.292 -1.334 1.913) 2.350 1.319 ( 1.850 0.424 0.127) 1.902 1.429 ( 0.278 0.109 0.081) 0.310 1.439 ( -0.612 0.150 2.479) 2.558 1.678 ( -0.283 -1.233 -0.766) 1.479 1.692 ( 0.969 0.339 -1.380) 1.720 1.741 ( 0.028 1.216 0.684) 1.396 1.767 ( -1.046 1.867 -1.398) 2.556 1.925 ( -0.825 -3.526 -0.523) 3.659 2.066 ( -1.117 -7.501 2.091) 7.867 2.107 ( -0.151 -0.936 -1.035) 1.404 2.304 ( -0.188 1.886 1.955) 2.723 2.414 ( -0.191 -0.754 -2.939) 3.040 3.459 ( -0.104 0.606 -0.120) 0.626 3.647 ( 2.217 1.952 -3.262) 4.401 3.666 ( -1.710 0.695 2.749) 3.311 4.058 ( -0.233 -2.328 -0.074) 2.341 4.136 ( 0.004 1.019 0.051) 1.020 4.307 ( 0.104 -0.803 -0.060) 0.811 4.595 ( -0.221 1.823 -0.129) 1.841 4.860 ( 0.251 -1.634 -0.579) 1.752 5.170 ( -0.628 5.139 -0.704) 5.225 5.331 ( -0.187 -0.272 -0.965) 1.020 5.390 ( -0.190 0.431 0.466) 0.663 5.574 ( -0.352 -0.594 0.145) 0.706 6.058 ( 0.901 0.060 -0.085) 0.907 6.103 ( -1.431 -0.599 0.470) 1.621 6.246 ( 1.227 4.196 1.115) 4.511 6.426 ( -0.516 1.017 1.160) 1.627======================= Grid point 13 (10/116) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( 0.000 18.202 -0.000) 18.202 0.635 ( -0.000 5.887 0.000) 5.887 0.820 ( 0.000 -2.142 0.000) 2.142 0.892 ( 0.000 6.000 -0.000) 6.000 0.931 ( 0.000 1.625 0.000) 1.625 1.141 ( 0.000 -5.627 0.000) 5.627 1.158 ( 0.000 -0.883 -0.000) 0.883 1.228 ( 0.000 -1.042 0.000) 1.042 1.330 ( 0.000 1.214 -0.000) 1.214 1.430 ( 0.000 1.002 0.000) 1.002 1.452 ( 0.000 -0.062 0.000) 0.062 1.671 ( -0.000 -1.362 -0.000) 1.362 1.691 ( 0.000 -0.724 0.000) 0.724 1.746 ( 0.000 1.469 -0.000) 1.469 1.751 ( -0.000 2.102 0.000) 2.102 1.915 ( 0.000 -2.951 0.000) 2.951 2.068 ( 0.000 -8.278 -0.000) 8.278 2.100 ( 0.000 -0.254 0.000) 0.254 2.313 ( 0.000 1.583 -0.000) 1.583 2.397 ( 0.000 -0.916 0.000) 0.916 3.458 ( 0.000 0.513 0.000) 0.513 3.654 ( 0.000 3.863 -0.000) 3.863 3.661 ( -0.000 -1.101 0.000) 1.101 4.056 ( 0.000 -2.296 -0.000) 2.296 4.136 ( 0.000 1.006 0.000) 1.006 4.308 ( 0.000 -0.761 0.000) 0.761 4.592 ( 0.000 1.872 -0.000) 1.872 4.859 ( 0.000 -1.620 0.000) 1.620 5.163 ( 0.000 4.529 -0.000) 4.529 5.325 ( 0.000 -0.333 0.000) 0.333 5.390 ( 0.000 0.367 -0.000) 0.367 5.571 ( 0.000 -0.574 0.000) 0.574 6.070 ( 0.000 -0.267 -0.000) 0.267 6.088 ( -0.000 -0.374 0.000) 0.374 6.263 ( 0.000 4.270 0.000) 4.270 6.426 ( 0.000 1.670 0.000) 1.670======================= Grid point 18 (11/116) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.361 ( 0.000 11.920 0.000) 11.920 0.563 ( 0.000 13.478 0.000) 13.478 0.814 ( 0.000 2.766 0.000) 2.766 0.894 ( 0.000 -1.995 0.000) 1.995 0.964 ( 0.000 2.425 0.000) 2.425 1.019 ( 0.000 -0.614 0.000) 0.614 1.126 ( 0.000 16.729 0.000) 16.729 1.158 ( 0.000 -0.591 0.000) 0.591 1.265 ( 0.000 -3.327 0.000) 3.327 1.302 ( 0.000 3.663 0.000) 3.663 1.468 ( 0.000 -3.078 0.000) 3.078 1.649 ( 0.000 -4.535 0.000) 4.535 1.683 ( 0.000 -0.918 0.000) 0.918 1.703 ( 0.000 -0.967 0.000) 0.967 1.801 ( 0.000 -1.038 0.000) 1.038 1.904 ( 0.000 -1.077 0.000) 1.077 2.011 ( 0.000 -7.828 0.000) 7.828 2.084 ( 0.000 -4.760 0.000) 4.760 2.375 ( 0.000 2.282 0.000) 2.282 2.481 ( 0.000 -0.029 0.000) 0.029 3.501 ( 0.000 1.210 0.000) 1.210 3.619 ( 0.000 -2.134 0.000) 2.134 3.743 ( 0.000 5.106 0.000) 5.106 4.011 ( 0.000 -4.114 0.000) 4.114 4.170 ( 0.000 1.708 0.000) 1.708 4.277 ( 0.000 -1.686 0.000) 1.686 4.640 ( 0.000 2.738 0.000) 2.738 4.818 ( 0.000 -2.798 0.000) 2.798 5.368 ( 0.000 0.105 0.000) 0.105 5.387 ( 0.000 -0.202 0.000) 0.202 5.472 ( 0.000 0.215 0.000) 0.215 5.562 ( 0.000 -1.688 0.000) 1.688 6.151 ( 0.000 1.137 0.000) 1.137 6.158 ( 0.000 0.398 0.000) 0.398 6.234 ( 0.000 1.468 0.000) 1.468 6.259 ( 0.000 0.632 0.000) 0.632======================= Grid point 19 (12/116) =======================q-point: ( 0.12 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.447 ( 5.352 8.438 5.417) 11.366 0.608 ( 3.537 12.017 2.803) 12.836 0.846 ( 0.922 1.500 3.172) 3.628 0.894 ( 0.528 0.052 -0.383) 0.654 0.986 ( 0.707 1.968 2.967) 3.630 1.044 ( 0.870 -0.770 3.614) 3.796 1.130 ( -0.637 15.919 2.115) 16.072 1.171 ( 2.280 -0.313 -1.279) 2.633 1.253 ( -1.613 0.875 1.146) 2.163 1.328 ( 2.180 -0.463 0.767) 2.357 1.454 ( -1.084 -2.496 -0.390) 2.749 1.645 ( -0.068 -4.901 -0.762) 4.960 1.677 ( -0.046 -1.790 0.518) 1.864 1.731 ( 1.683 0.702 0.271) 1.844 1.798 ( -0.525 -1.925 0.368) 2.029 1.905 ( 1.032 -1.152 -1.936) 2.477 1.987 ( -2.851 -6.907 0.716) 7.506 2.080 ( -0.386 -4.610 -0.288) 4.635 2.362 ( -1.250 2.735 0.194) 3.013 2.472 ( -0.384 0.012 -1.386) 1.438 3.495 ( -0.446 1.227 -0.279) 1.335 3.618 ( 0.356 -2.200 -0.791) 2.365 3.742 ( -0.057 4.975 -0.095) 4.976 4.008 ( -0.202 -4.076 -0.223) 4.087 4.168 ( -0.213 1.730 -0.040) 1.744 4.278 ( 0.057 -1.700 0.103) 1.704 4.642 ( 0.175 2.711 -0.091) 2.718 4.818 ( 0.242 -2.792 -0.479) 2.843 5.355 ( -0.609 0.357 -1.831) 1.962 5.377 ( -1.544 -0.042 0.021) 1.544 5.438 ( -1.751 2.308 -1.755) 3.387 5.561 ( -0.305 -1.744 0.295) 1.795 6.111 ( -3.020 1.775 -0.573) 3.549 6.138 ( -1.497 0.366 0.272) 1.565 6.237 ( 2.141 3.336 0.522) 3.999 6.339 ( 3.020 -1.154 3.643) 4.871======================= Grid point 20 (13/116) =======================q-point: ( 0.25 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.584 ( 5.600 4.274 2.813) 7.585 0.716 ( 4.325 9.144 4.329) 11.002 0.858 ( -0.762 -0.211 0.406) 0.889 0.923 ( 1.438 3.232 1.131) 3.714 1.021 ( -0.993 0.080 4.240) 4.356 1.104 ( 1.138 0.967 5.201) 5.411 1.137 ( -0.161 12.947 0.229) 12.950 1.196 ( 0.190 1.160 0.461) 1.262 1.262 ( 1.982 0.741 1.979) 2.897 1.378 ( 1.693 -1.563 2.426) 3.346 1.433 ( -0.564 -1.708 -0.752) 1.949 1.632 ( -0.516 -5.321 -1.084) 5.454 1.689 ( 0.616 -2.168 0.418) 2.292 1.750 ( 0.575 1.332 -0.287) 1.478 1.785 ( -1.189 -1.722 0.056) 2.093 1.904 ( 1.861 -1.626 -3.593) 4.361 1.945 ( -3.424 -4.835 2.766) 6.538 2.068 ( -0.530 -4.337 -0.394) 4.387 2.346 ( -1.161 2.869 0.982) 3.247 2.445 ( -0.718 0.185 -2.254) 2.373 3.484 ( -0.440 1.255 -0.295) 1.362 3.619 ( 0.627 -2.372 -0.919) 2.620 3.740 ( -0.024 4.773 -0.107) 4.774 4.002 ( -0.209 -3.989 -0.304) 4.006 4.164 ( -0.137 1.774 -0.029) 1.780 4.281 ( 0.137 -1.697 0.088) 1.705 4.643 ( 0.046 2.714 -0.148) 2.719 4.817 ( 0.341 -2.773 -0.678) 2.875 5.309 ( -2.134 3.058 -1.994) 4.229 5.347 ( -0.826 0.109 -1.251) 1.503 5.412 ( -0.640 2.004 -0.040) 2.104 5.557 ( -0.446 -1.779 0.246) 1.850 6.074 ( -1.187 1.669 0.294) 2.070 6.117 ( -1.550 0.070 0.740) 1.719 6.289 ( 2.435 4.277 1.520) 5.151 6.408 ( 1.830 -0.388 2.440) 3.074======================= Grid point 21 (14/116) =======================q-point: ( 0.38 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.683 ( 3.817 1.828 0.997) 4.348 0.802 ( 2.829 5.659 0.442) 6.343 0.852 ( -0.990 2.520 1.663) 3.177 0.947 ( 0.827 2.904 0.885) 3.147 1.027 ( -1.719 -1.275 2.559) 3.336 1.123 ( -0.381 11.596 -0.572) 11.616 1.161 ( 0.439 0.871 1.832) 2.075 1.198 ( -0.649 0.962 1.983) 2.298 1.322 ( 1.666 0.027 2.014) 2.614 1.422 ( 0.647 -1.317 2.571) 2.960 1.426 ( 0.642 -1.070 -0.763) 1.462 1.610 ( -0.804 -5.866 -1.117) 6.025 1.693 ( -0.353 -0.902 -0.101) 0.974 1.754 ( 0.628 -0.929 -0.443) 1.205 1.770 ( -0.389 0.413 -0.298) 0.641 1.905 ( 1.774 -0.819 -3.132) 3.691 1.924 ( -2.423 -4.258 3.452) 5.993 2.056 ( -0.413 -4.178 -0.335) 4.212 2.342 ( -0.622 2.356 1.457) 2.839 2.412 ( -0.517 0.514 -2.169) 2.288 3.477 ( -0.168 1.280 -0.141) 1.298 3.623 ( 0.539 -2.562 -0.504) 2.666 3.740 ( 0.030 4.739 -0.051) 4.740 3.997 ( -0.085 -3.904 -0.209) 3.911 4.163 ( 0.020 1.804 0.000) 1.804 4.284 ( 0.139 -1.659 0.030) 1.665 4.641 ( -0.107 2.813 -0.123) 2.817 4.817 ( 0.235 -2.739 -0.478) 2.790 5.268 ( -1.065 4.186 -0.983) 4.430 5.327 ( -0.420 -0.134 -0.807) 0.920 5.406 ( -0.254 1.481 0.157) 1.510 5.551 ( -0.319 -1.798 0.129) 1.830 6.069 ( 0.067 1.042 0.348) 1.101 6.099 ( -1.308 0.122 0.591) 1.441 6.337 ( 1.571 4.882 1.168) 5.260 6.447 ( 0.897 0.968 1.173) 1.766======================= Grid point 22 (15/116) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.723 ( 0.000 1.057 -0.000) 1.057 0.829 ( 0.000 1.255 0.000) 1.255 0.845 ( 0.000 6.557 0.000) 6.557 0.968 ( 0.000 2.495 0.000) 2.495 1.018 ( 0.000 -0.908 0.000) 0.908 1.118 ( 0.000 10.610 0.000) 10.610 1.162 ( 0.000 1.811 -0.000) 1.811 1.207 ( 0.000 -0.830 0.000) 0.830 1.343 ( 0.000 0.048 -0.000) 0.048 1.432 ( 0.000 -0.966 0.000) 0.966 1.440 ( 0.000 -0.981 0.000) 0.981 1.595 ( 0.000 -6.072 -0.000) 6.072 1.687 ( 0.000 -0.032 0.000) 0.032 1.762 ( 0.000 -0.709 -0.000) 0.709 1.763 ( -0.000 -0.045 0.000) 0.045 1.905 ( -0.000 0.353 0.000) 0.353 1.921 ( 0.000 -4.963 -0.000) 4.963 2.051 ( 0.000 -4.135 0.000) 4.135 2.345 ( 0.000 2.015 -0.000) 2.015 2.396 ( 0.000 0.731 0.000) 0.731 3.475 ( 0.000 1.293 -0.000) 1.293 3.625 ( 0.000 -2.649 0.000) 2.649 3.740 ( 0.000 4.778 0.000) 4.778 3.995 ( 0.000 -3.868 -0.000) 3.868 4.164 ( 0.000 1.810 0.000) 1.810 4.285 ( 0.000 -1.636 0.000) 1.636 4.639 ( 0.000 2.880 0.000) 2.880 4.817 ( 0.000 -2.720 0.000) 2.720 5.254 ( 0.000 4.277 -0.000) 4.277 5.319 ( 0.000 -0.196 0.000) 0.196 5.405 ( 0.000 1.328 -0.000) 1.328 5.549 ( 0.000 -1.803 0.000) 1.803 6.075 ( 0.000 0.684 -0.000) 0.684 6.087 ( 0.000 0.308 0.000) 0.308 6.357 ( 0.000 5.064 0.000) 5.064 6.460 ( 0.000 1.566 0.000) 1.566======================= Grid point 27 (16/116) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( 0.000 11.635 0.000) 11.635 0.785 ( 0.000 -8.431 0.000) 8.431 0.787 ( 0.000 9.588 0.000) 9.588 0.900 ( 0.000 5.815 0.000) 5.815 0.931 ( 0.000 -5.781 0.000) 5.781 0.980 ( 0.000 -1.549 0.000) 1.549 1.148 ( 0.000 0.031 0.000) 0.031 1.185 ( 0.000 -4.060 0.000) 4.060 1.377 ( 0.000 3.642 0.000) 3.642 1.424 ( 0.000 -0.053 0.000) 0.053 1.436 ( 0.000 8.344 0.000) 8.344 1.541 ( 0.000 -4.990 0.000) 4.990 1.652 ( 0.000 -0.431 0.000) 0.431 1.673 ( 0.000 -0.731 0.000) 0.731 1.851 ( 0.000 3.074 0.000) 3.074 1.884 ( 0.000 -1.742 0.000) 1.742 1.895 ( 0.000 -1.992 0.000) 1.992 1.970 ( 0.000 -6.490 0.000) 6.490 2.430 ( 0.000 2.950 0.000) 2.950 2.471 ( 0.000 -1.259 0.000) 1.259 3.530 ( 0.000 1.895 0.000) 1.895 3.573 ( 0.000 -2.527 0.000) 2.527 3.839 ( 0.000 4.849 0.000) 4.849 3.928 ( 0.000 -4.556 0.000) 4.556 4.205 ( 0.000 1.923 0.000) 1.923 4.242 ( 0.000 -1.950 0.000) 1.950 4.697 ( 0.000 3.194 0.000) 3.194 4.759 ( 0.000 -3.249 0.000) 3.249 5.372 ( 0.000 0.314 0.000) 0.314 5.380 ( 0.000 -0.506 0.000) 0.506 5.489 ( 0.000 1.483 0.000) 1.483 5.524 ( 0.000 -2.090 0.000) 2.090 6.166 ( 0.000 0.404 0.000) 0.404 6.166 ( 0.000 0.327 0.000) 0.327 6.258 ( 0.000 0.931 0.000) 0.931 6.267 ( 0.000 0.036 0.000) 0.036======================= Grid point 28 (17/116) =======================q-point: ( 0.12 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( 2.071 9.704 2.809) 10.313 0.781 ( -0.118 -2.617 1.093) 2.838 0.827 ( 1.620 4.422 3.315) 5.759 0.921 ( 1.631 1.962 1.505) 2.962 0.964 ( 1.317 -2.234 3.475) 4.336 1.006 ( 1.803 -1.520 2.006) 3.096 1.165 ( 1.072 0.599 1.924) 2.282 1.210 ( 0.730 -3.844 3.596) 5.315 1.363 ( -0.789 3.946 -1.603) 4.331 1.417 ( -0.285 -1.721 -1.158) 2.094 1.432 ( -0.349 8.929 -0.016) 8.936 1.537 ( -0.332 -5.182 -0.532) 5.220 1.643 ( -0.833 0.546 1.224) 1.578 1.689 ( 1.409 -2.733 -0.612) 3.135 1.844 ( -0.503 2.478 -0.703) 2.624 1.882 ( 1.181 0.384 -2.223) 2.546 1.896 ( -1.238 -2.358 2.505) 3.656 1.971 ( -0.005 -6.105 0.131) 6.106 2.421 ( -0.910 2.998 -0.039) 3.133 2.463 ( -0.616 -1.231 -0.682) 1.536 3.525 ( -0.303 1.973 -0.371) 2.031 3.570 ( -0.026 -2.646 -0.480) 2.690 3.836 ( -0.025 4.818 -0.450) 4.839 3.925 ( -0.084 -4.558 -0.375) 4.575 4.203 ( -0.119 1.990 -0.043) 1.994 4.242 ( -0.007 -2.028 0.041) 2.029 4.698 ( 0.153 3.158 -0.149) 3.165 4.759 ( 0.179 -3.224 -0.304) 3.243 5.361 ( -0.564 0.407 -1.035) 1.247 5.370 ( -0.868 -0.495 -0.421) 1.084 5.478 ( -0.745 2.125 -0.508) 2.308 5.521 ( -0.376 -2.288 0.056) 2.319 6.136 ( -2.531 0.875 0.212) 2.686 6.144 ( -1.996 0.051 0.404) 2.037 6.291 ( 2.973 2.215 1.174) 3.889 6.321 ( 3.309 -1.064 2.145) 4.085======================= Grid point 29 (18/116) =======================q-point: ( 0.25 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.684 ( 1.892 5.887 1.577) 6.382 0.786 ( -0.085 -3.969 0.031) 3.970 0.899 ( 1.890 6.130 5.024) 8.148 0.966 ( 1.509 0.594 1.162) 1.995 1.012 ( 0.090 0.863 3.772) 3.871 1.070 ( 2.242 -2.746 3.920) 5.285 1.214 ( 1.279 1.720 3.309) 3.942 1.259 ( 0.701 -1.610 3.016) 3.490 1.333 ( -0.748 2.808 -0.660) 2.980 1.390 ( -2.096 -1.760 -0.112) 2.739 1.431 ( 0.887 5.576 -1.113) 5.755 1.520 ( -0.718 -5.279 -0.924) 5.407 1.651 ( 0.702 0.553 0.554) 1.051 1.702 ( 0.706 -3.497 -0.259) 3.577 1.824 ( -0.777 2.849 -0.935) 3.097 1.888 ( 1.505 1.496 -1.731) 2.738 1.896 ( -1.333 -1.950 2.347) 3.330 1.971 ( -0.127 -5.301 0.137) 5.304 2.403 ( -1.086 2.845 0.157) 3.050 2.441 ( -0.913 -0.957 -1.041) 1.683 3.516 ( -0.247 2.160 -0.414) 2.213 3.566 ( 0.122 -2.929 -0.535) 2.980 3.832 ( 0.079 4.736 -0.564) 4.770 3.920 ( -0.023 -4.534 -0.510) 4.562 4.202 ( -0.031 2.129 -0.031) 2.130 4.243 ( 0.085 -2.175 0.055) 2.177 4.699 ( 0.126 3.131 -0.217) 3.141 4.760 ( 0.238 -3.190 -0.430) 3.228 5.338 ( -0.913 0.683 -1.103) 1.586 5.347 ( -1.045 -0.232 -0.863) 1.375 5.461 ( -0.703 2.823 -0.343) 2.930 5.514 ( -0.490 -2.613 0.024) 2.659 6.103 ( -1.695 1.255 0.732) 2.232 6.117 ( -1.718 -0.235 0.893) 1.950 6.359 ( 3.053 2.894 1.770) 4.564 6.396 ( 2.984 -1.100 2.067) 3.792======================= Grid point 30 (19/116) =======================q-point: ( 0.38 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( 1.201 2.574 0.372) 2.865 0.782 ( 0.273 -3.823 -0.958) 3.950 0.956 ( -0.364 4.036 3.646) 5.451 0.989 ( 0.357 0.226 1.122) 1.199 1.040 ( 0.420 4.944 1.872) 5.303 1.136 ( 1.447 -3.388 2.759) 4.603 1.234 ( -1.233 4.297 1.136) 4.613 1.277 ( 1.024 0.762 -1.692) 2.119 1.337 ( -1.362 0.302 2.822) 3.148 1.364 ( -0.460 -3.665 1.485) 3.981 1.440 ( 0.945 2.398 -0.560) 2.638 1.500 ( -0.520 -4.607 -0.949) 4.732 1.670 ( 0.925 0.380 0.044) 1.001 1.714 ( 0.810 -2.960 -0.101) 3.071 1.805 ( -0.683 4.056 -0.540) 4.148 1.889 ( -0.245 -2.895 -0.211) 2.913 1.903 ( 0.232 2.232 0.721) 2.357 1.969 ( -0.135 -4.539 0.011) 4.541 2.390 ( -0.657 2.347 0.384) 2.468 2.418 ( -0.629 -0.389 -0.903) 1.167 3.511 ( -0.032 2.351 -0.206) 2.360 3.565 ( 0.210 -3.199 -0.266) 3.216 3.830 ( 0.146 4.645 -0.347) 4.660 3.916 ( 0.060 -4.466 -0.343) 4.480 4.202 ( 0.071 2.233 -0.003) 2.234 4.246 ( 0.125 -2.266 0.036) 2.270 4.698 ( 0.025 3.192 -0.158) 3.196 4.760 ( 0.156 -3.192 -0.301) 3.210 5.315 ( -0.664 1.119 -0.633) 1.447 5.325 ( -0.601 -0.130 -0.623) 0.875 5.450 ( -0.363 2.930 -0.123) 2.955 5.507 ( -0.325 -2.811 -0.000) 2.830 6.091 ( -0.625 1.001 0.617) 1.332 6.101 ( -1.075 -0.087 0.697) 1.284 6.417 ( 1.868 3.182 1.236) 3.891 6.453 ( 1.737 -0.647 1.241) 2.231======================= Grid point 31 (20/116) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.731 ( 0.000 1.120 -0.000) 1.120 0.780 ( 0.000 -3.786 0.000) 3.786 0.964 ( 0.000 3.477 0.000) 3.477 0.998 ( 0.000 -0.764 0.000) 0.764 1.055 ( 0.000 7.017 0.000) 7.017 1.161 ( 0.000 -3.203 0.000) 3.203 1.225 ( 0.000 4.216 0.000) 4.216 1.271 ( 0.000 1.266 0.000) 1.266 1.337 ( 0.000 -0.144 0.000) 0.144 1.376 ( 0.000 -4.003 0.000) 4.003 1.447 ( 0.000 1.216 0.000) 1.216 1.490 ( 0.000 -3.995 -0.000) 3.995 1.679 ( 0.000 0.455 0.000) 0.455 1.722 ( 0.000 -3.094 0.000) 3.094 1.795 ( 0.000 4.799 0.000) 4.799 1.885 ( 0.000 -2.912 0.000) 2.912 1.908 ( 0.000 1.998 -0.000) 1.998 1.968 ( 0.000 -4.206 0.000) 4.206 2.387 ( 0.000 2.005 -0.000) 2.005 2.407 ( 0.000 -0.022 0.000) 0.022 3.510 ( 0.000 2.432 -0.000) 2.432 3.566 ( 0.000 -3.304 0.000) 3.304 3.829 ( 0.000 4.605 0.000) 4.605 3.915 ( 0.000 -4.426 -0.000) 4.426 4.203 ( 0.000 2.265 0.000) 2.265 4.247 ( 0.000 -2.290 0.000) 2.290 4.698 ( 0.000 3.243 0.000) 3.243 4.760 ( 0.000 -3.203 0.000) 3.203 5.307 ( 0.000 1.280 -0.000) 1.280 5.317 ( 0.000 -0.126 0.000) 0.126 5.446 ( 0.000 2.901 -0.000) 2.901 5.504 ( 0.000 -2.867 0.000) 2.867 6.089 ( 0.000 0.658 0.000) 0.658 6.094 ( 0.000 0.201 0.000) 0.201 6.439 ( 0.000 3.250 0.000) 3.250 6.474 ( 0.000 -0.409 0.000) 0.409======================= Grid point 63 (21/116) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.226 ( -6.508 0.000 11.911) 13.573 0.226 ( -6.527 0.000 11.915) 13.586 0.457 ( -2.591 0.000 22.024) 22.176 0.784 ( 5.304 0.000 -0.622) 5.340 0.883 ( -2.203 0.000 0.141) 2.208 1.013 ( 4.327 0.000 1.807) 4.690 1.194 ( 0.053 0.000 7.938) 7.938 1.221 ( -2.541 0.000 -2.376) 3.479 1.279 ( -3.862 0.000 3.500) 5.212 1.318 ( 1.646 0.000 3.283) 3.673 1.562 ( 0.334 0.000 -0.179) 0.379 1.642 ( -3.371 0.000 -0.729) 3.449 1.701 ( 0.698 0.000 -0.527) 0.875 1.716 ( -0.915 0.000 0.597) 1.092 1.756 ( -5.489 0.000 3.602) 6.565 2.063 ( 2.533 0.000 -5.567) 6.116 2.081 ( 2.101 0.000 -2.631) 3.366 2.190 ( 2.588 0.000 -4.098) 4.847 2.272 ( -3.628 0.000 4.388) 5.694 2.473 ( -1.239 0.000 -1.385) 1.859 3.463 ( -0.028 0.000 -0.871) 0.872 3.554 ( 1.460 0.000 -3.972) 4.232 3.722 ( -1.819 0.000 3.476) 3.923 4.078 ( 1.253 0.000 -2.533) 2.826 4.141 ( -0.734 0.000 0.974) 1.220 4.299 ( 0.798 0.000 -1.493) 1.693 4.889 ( -1.158 0.000 1.039) 1.556 4.973 ( -19.835 0.000 -0.189) 19.836 5.115 ( -0.259 0.000 -0.068) 0.268 5.296 ( 1.432 0.000 -4.113) 4.355 5.451 ( -2.182 0.000 3.429) 4.064 5.592 ( 0.213 0.000 -0.065) 0.223 6.042 ( -1.119 0.000 1.788) 2.110 6.126 ( 0.672 0.000 0.861) 1.092 6.165 ( -0.065 0.000 0.500) 0.504 6.365 ( 14.026 0.000 -2.265) 14.208======================= Grid point 64 (22/116) =======================q-point: ( 0.12 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.267 ( -1.111 0.000 11.507) 11.560 0.310 ( 5.118 0.000 7.326) 8.936 0.651 ( 2.277 0.000 16.726) 16.880 0.846 ( -1.446 0.000 -0.585) 1.560 0.873 ( 4.131 0.000 1.133) 4.284 1.113 ( 4.536 0.000 2.370) 5.118 1.174 ( -0.821 0.000 0.094) 0.827 1.240 ( -4.094 0.000 3.466) 5.364 1.276 ( 0.261 0.000 8.182) 8.186 1.382 ( 1.590 0.000 3.982) 4.288 1.529 ( -2.818 0.000 0.340) 2.839 1.641 ( 1.171 0.000 -0.201) 1.188 1.704 ( 0.433 0.000 -0.503) 0.664 1.711 ( -0.421 0.000 0.239) 0.484 1.740 ( -1.358 0.000 3.876) 4.107 2.031 ( -0.043 0.000 -5.519) 5.520 2.086 ( 1.102 0.000 -2.252) 2.507 2.201 ( 3.189 0.000 -4.278) 5.336 2.252 ( -3.337 0.000 4.570) 5.659 2.441 ( -0.863 0.000 -1.343) 1.596 3.453 ( -0.114 0.000 -1.003) 1.009 3.545 ( 1.736 0.000 -3.880) 4.251 3.722 ( -1.674 0.000 3.302) 3.702 4.072 ( 0.884 0.000 -2.630) 2.775 4.136 ( -0.700 0.000 0.807) 1.068 4.299 ( 0.753 0.000 -1.363) 1.557 4.738 ( -11.480 0.000 7.884) 13.927 4.881 ( -0.745 0.000 0.987) 1.236 5.111 ( -0.142 0.000 -0.102) 0.175 5.286 ( 1.611 0.000 -4.098) 4.404 5.445 ( -2.010 0.000 3.112) 3.705 5.593 ( -0.144 0.000 0.109) 0.181 6.042 ( -0.612 0.000 1.308) 1.444 6.152 ( 1.239 0.000 1.235) 1.749 6.161 ( -0.859 0.000 0.482) 0.985 6.444 ( 2.036 0.000 -3.970) 4.462======================= Grid point 65 (23/116) =======================q-point: ( 0.25 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.362 ( 0.391 0.000 9.542) 9.550 0.478 ( 7.137 0.000 4.541) 8.459 0.790 ( 1.663 0.000 4.323) 4.632 0.832 ( -1.581 0.000 4.959) 5.205 0.930 ( 0.768 0.000 1.685) 1.852 1.177 ( 1.549 0.000 -2.174) 2.670 1.187 ( 1.856 0.000 0.144) 1.862 1.221 ( -1.154 0.000 3.955) 4.120 1.322 ( -2.135 0.000 4.546) 5.022 1.436 ( 0.751 0.000 3.178) 3.266 1.491 ( -2.567 0.000 1.578) 3.013 1.653 ( 0.663 0.000 -0.038) 0.664 1.699 ( -1.041 0.000 0.235) 1.067 1.709 ( 0.523 0.000 -0.684) 0.861 1.760 ( -0.320 0.000 3.078) 3.095 1.975 ( -0.400 0.000 -5.104) 5.120 2.078 ( 0.527 0.000 -2.552) 2.606 2.216 ( 3.399 0.000 -5.315) 6.309 2.240 ( -3.055 0.000 4.870) 5.749 2.427 ( -0.394 0.000 1.073) 1.143 3.446 ( 0.273 0.000 -0.733) 0.782 3.545 ( 2.231 0.000 -3.699) 4.320 3.723 ( -1.695 0.000 3.130) 3.560 4.063 ( 0.857 0.000 -2.569) 2.708 4.133 ( -0.460 0.000 0.735) 0.867 4.300 ( 0.724 0.000 -1.219) 1.417 4.665 ( -5.776 0.000 6.465) 8.669 4.881 ( -0.437 0.000 1.321) 1.391 5.110 ( 0.079 0.000 0.055) 0.096 5.278 ( 1.733 0.000 -3.779) 4.158 5.439 ( -1.895 0.000 3.048) 3.589 5.589 ( -0.481 0.000 0.258) 0.546 6.046 ( 0.091 0.000 0.568) 0.575 6.145 ( -1.441 0.000 0.424) 1.502 6.185 ( 1.376 0.000 0.762) 1.572 6.424 ( -0.099 0.000 -2.928) 2.929======================= Grid point 66 (24/116) =======================q-point: ( 0.38 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.438 ( -1.189 0.000 8.594) 8.676 0.619 ( 3.627 0.000 6.237) 7.215 0.811 ( 1.551 0.000 -2.051) 2.571 0.855 ( -2.827 0.000 4.475) 5.293 0.931 ( -1.534 0.000 0.615) 1.653 1.146 ( -1.038 0.000 -4.291) 4.415 1.232 ( 2.998 0.000 0.276) 3.011 1.249 ( 0.931 0.000 1.410) 1.689 1.291 ( -3.772 0.000 0.727) 3.842 1.457 ( -0.409 0.000 0.620) 0.743 1.458 ( -3.192 0.000 1.234) 3.423 1.670 ( 1.422 0.000 0.087) 1.425 1.688 ( -0.559 0.000 0.825) 0.996 1.710 ( 0.265 0.000 -0.321) 0.416 1.777 ( -1.191 0.000 3.168) 3.385 1.936 ( 0.775 0.000 -4.130) 4.202 2.059 ( 0.518 0.000 -3.452) 3.491 2.218 ( 2.879 0.000 -6.123) 6.766 2.235 ( -3.050 0.000 5.331) 6.142 2.445 ( -0.183 0.000 3.531) 3.536 3.447 ( 0.456 0.000 -0.462) 0.649 3.553 ( 2.472 0.000 -3.482) 4.271 3.721 ( -1.816 0.000 3.158) 3.643 4.057 ( 1.043 0.000 -2.394) 2.611 4.133 ( -0.356 0.000 0.719) 0.803 4.302 ( 0.738 0.000 -1.105) 1.329 4.640 ( -3.808 0.000 5.839) 6.971 4.889 ( -0.421 0.000 1.847) 1.894 5.113 ( 0.136 0.000 0.206) 0.247 5.278 ( 1.941 0.000 -3.359) 3.879 5.436 ( -1.777 0.000 3.120) 3.590 5.583 ( -0.539 0.000 0.290) 0.612 6.056 ( 0.912 0.000 -0.037) 0.913 6.122 ( -1.698 0.000 0.477) 1.764 6.207 ( 0.764 0.000 -0.428) 0.876 6.396 ( -0.067 0.000 -2.891) 2.892======================= Grid point 67 (25/116) =======================q-point: (-0.50 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.473 ( -3.790 0.000 8.280) 9.106 0.712 ( -2.526 0.000 10.947) 11.235 0.791 ( -1.736 0.000 -5.970) 6.217 0.829 ( -0.519 0.000 0.813) 0.964 0.898 ( -1.699 0.000 -1.454) 2.237 1.070 ( -1.112 0.000 -8.164) 8.240 1.216 ( -4.955 0.000 1.061) 5.067 1.271 ( -0.173 0.000 1.675) 1.684 1.294 ( 4.032 0.000 -1.633) 4.350 1.406 ( -2.873 0.000 -0.508) 2.918 1.438 ( -1.135 0.000 -1.467) 1.855 1.692 ( -0.194 0.000 1.002) 1.021 1.705 ( 2.209 0.000 0.665) 2.307 1.717 ( 0.664 0.000 0.312) 0.734 1.778 ( -2.221 0.000 3.772) 4.377 1.926 ( 2.008 0.000 -3.414) 3.961 2.038 ( 1.230 0.000 -4.300) 4.473 2.208 ( 2.289 0.000 -5.712) 6.153 2.231 ( -3.070 0.000 5.526) 6.322 2.476 ( -0.435 0.000 4.114) 4.137 3.450 ( 0.305 0.000 -0.382) 0.489 3.564 ( 2.422 0.000 -3.375) 4.154 3.719 ( -1.899 0.000 3.434) 3.924 4.055 ( 1.240 0.000 -2.249) 2.568 4.132 ( -0.441 0.000 0.686) 0.816 4.304 ( 0.660 0.000 -1.065) 1.253 4.640 ( -2.741 0.000 6.534) 7.085 4.899 ( -0.612 0.000 2.243) 2.325 5.117 ( -0.015 0.000 0.283) 0.284 5.284 ( 2.169 0.000 -3.075) 3.763 5.434 ( -1.778 0.000 3.289) 3.739 5.578 ( -0.262 0.000 0.196) 0.327 6.076 ( 1.361 0.000 -0.119) 1.366 6.098 ( -1.509 0.000 0.579) 1.616 6.200 ( -0.433 0.000 -1.729) 1.783 6.372 ( 0.625 0.000 -3.605) 3.659======================= Grid point 68 (26/116) =======================q-point: (-0.38 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.457 ( -6.784 0.000 8.204) 10.645 0.626 ( -8.591 0.000 -5.451) 10.174 0.743 ( -7.844 0.000 9.642) 12.429 0.838 ( 1.150 0.000 -0.700) 1.347 0.853 ( -0.646 0.000 -4.196) 4.245 0.972 ( -0.372 0.000 -9.489) 9.497 1.153 ( -3.016 0.000 1.259) 3.268 1.270 ( -1.648 0.000 1.676) 2.350 1.304 ( -2.224 0.000 -1.028) 2.450 1.396 ( 3.896 0.000 -1.677) 4.241 1.401 ( -1.438 0.000 -1.483) 2.065 1.695 ( -0.234 0.000 0.438) 0.497 1.734 ( 0.503 0.000 0.630) 0.806 1.739 ( -0.964 0.000 2.453) 2.636 1.790 ( 0.620 0.000 4.205) 4.250 1.940 ( 2.991 0.000 -3.317) 4.467 2.028 ( 2.396 0.000 -4.481) 5.081 2.195 ( 1.928 0.000 -4.992) 5.352 2.232 ( -2.587 0.000 5.468) 6.049 2.502 ( -0.637 0.000 3.490) 3.547 3.452 ( 0.374 0.000 -0.292) 0.475 3.572 ( 2.067 0.000 -3.459) 4.029 3.719 ( -1.991 0.000 3.807) 4.296 4.058 ( 1.489 0.000 -2.206) 2.662 4.131 ( -0.437 0.000 0.730) 0.850 4.305 ( 0.530 0.000 -1.162) 1.277 4.668 ( -2.071 0.000 9.137) 9.369 4.907 ( -0.925 0.000 2.268) 2.449 5.118 ( -0.122 0.000 0.359) 0.379 5.295 ( 2.316 0.000 -3.057) 3.835 5.435 ( -1.715 0.000 3.607) 3.994 5.578 ( 0.128 0.000 0.034) 0.132 6.075 ( -1.672 0.000 1.238) 2.080 6.105 ( 1.769 0.000 -0.274) 1.790 6.166 ( -1.107 0.000 -2.343) 2.592 6.346 ( 0.972 0.000 -5.562) 5.647======================= Grid point 69 (27/116) =======================q-point: (-0.25 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.391 ( -9.555 0.000 8.351) 12.691 0.398 ( -10.814 0.000 -6.188) 12.459 0.636 ( -15.286 0.000 11.410) 19.075 0.786 ( -0.159 0.000 -8.509) 8.510 0.856 ( 1.389 0.000 0.072) 1.390 0.920 ( 2.158 0.000 -4.652) 5.128 1.139 ( -1.634 0.000 3.486) 3.850 1.252 ( -2.519 0.000 0.212) 2.528 1.255 ( -1.627 0.000 1.905) 2.505 1.363 ( -2.180 0.000 -0.287) 2.198 1.465 ( 5.088 0.000 -1.447) 5.290 1.693 ( -0.164 0.000 0.015) 0.164 1.728 ( -2.838 0.000 3.454) 4.470 1.740 ( -0.417 0.000 0.545) 0.686 1.862 ( 2.774 0.000 3.353) 4.351 1.964 ( 3.205 0.000 -2.825) 4.272 2.040 ( 3.264 0.000 -3.928) 5.107 2.186 ( 2.047 0.000 -4.372) 4.828 2.243 ( -1.982 0.000 5.690) 6.026 2.513 ( -0.997 0.000 1.975) 2.212 3.459 ( 0.622 0.000 -0.230) 0.663 3.571 ( 1.610 0.000 -3.649) 3.989 3.719 ( -2.079 0.000 4.019) 4.525 4.066 ( 1.729 0.000 -2.252) 2.839 4.133 ( -0.243 0.000 0.972) 1.002 4.302 ( 0.540 0.000 -1.368) 1.471 4.754 ( 0.002 0.000 16.256) 16.256 4.907 ( -1.244 0.000 1.925) 2.292 5.119 ( -0.137 0.000 0.357) 0.383 5.306 ( 2.249 0.000 -3.164) 3.882 5.441 ( -1.545 0.000 3.904) 4.199 5.582 ( 0.383 0.000 -0.113) 0.400 6.059 ( -1.652 0.000 1.591) 2.294 6.128 ( -0.733 0.000 -2.356) 2.467 6.133 ( 1.481 0.000 0.062) 1.483 6.293 ( -0.108 0.000 -8.524) 8.524======================= Grid point 70 (28/116) =======================q-point: (-0.12 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.220 ( -7.403 0.000 7.547) 10.572 0.293 ( -10.827 0.000 9.576) 14.454 0.467 ( -16.761 0.000 15.188) 22.619 0.736 ( 2.671 0.000 -5.361) 5.989 0.887 ( 0.909 0.000 1.475) 1.732 0.944 ( 3.450 0.000 -1.318) 3.693 1.149 ( -1.750 0.000 5.412) 5.688 1.239 ( 0.467 0.000 0.518) 0.697 1.264 ( 0.085 0.000 3.292) 3.293 1.323 ( -2.868 0.000 1.152) 3.091 1.530 ( 3.468 0.000 -0.943) 3.594 1.693 ( 0.322 0.000 -0.114) 0.342 1.706 ( -2.830 0.000 1.716) 3.310 1.730 ( -1.088 0.000 0.384) 1.154 1.873 ( -1.952 0.000 -6.349) 6.643 2.025 ( 5.109 0.000 -0.501) 5.133 2.063 ( 3.055 0.000 -3.234) 4.449 2.185 ( 2.306 0.000 -4.103) 4.707 2.269 ( -1.488 0.000 6.268) 6.442 2.502 ( -1.353 0.000 0.079) 1.355 3.466 ( 0.455 0.000 -0.458) 0.646 3.564 ( 1.481 0.000 -3.759) 4.040 3.721 ( -1.928 0.000 3.843) 4.299 4.075 ( 1.664 0.000 -2.373) 2.898 4.139 ( -0.230 0.000 1.186) 1.208 4.299 ( 0.701 0.000 -1.515) 1.670 4.900 ( -1.363 0.000 1.426) 1.972 5.014 ( 10.516 0.000 16.636) 19.681 5.119 ( -0.204 0.000 0.165) 0.262 5.314 ( 1.973 0.000 -3.466) 3.988 5.452 ( -1.431 0.000 4.009) 4.257 5.588 ( 0.409 0.000 -0.157) 0.438 6.048 ( -1.469 0.000 1.841) 2.356 6.104 ( 0.620 0.000 -1.335) 1.471 6.155 ( 0.777 0.000 0.357) 0.855 6.196 ( -1.947 0.000 -3.259) 3.796======================= Grid point 71 (29/116) =======================q-point: ( 0.00 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.284 ( -1.302 8.262 7.325) 11.118 0.431 ( 0.563 8.013 12.020) 14.457 0.670 ( -4.460 21.259 9.915) 23.878 0.793 ( 4.427 1.767 -0.368) 4.781 0.869 ( 0.752 -0.053 -0.598) 0.962 1.003 ( 3.361 -0.888 1.107) 3.648 1.153 ( 1.275 -2.568 5.823) 6.491 1.208 ( -2.484 0.917 3.127) 4.098 1.290 ( -2.960 1.248 3.437) 4.705 1.338 ( 0.963 -0.633 2.759) 2.990 1.534 ( 0.253 -2.707 -0.045) 2.719 1.646 ( -0.370 0.883 -0.363) 1.024 1.705 ( 0.194 -0.454 0.905) 1.031 1.720 ( -1.712 -0.911 0.178) 1.948 1.794 ( -0.157 1.312 -1.658) 2.120 1.985 ( 0.430 -4.830 -2.129) 5.296 2.093 ( 2.049 -2.225 -2.829) 4.142 2.157 ( -0.538 -2.211 -0.548) 2.341 2.302 ( -0.056 1.564 -1.948) 2.499 2.475 ( -1.177 -0.242 -1.320) 1.785 3.474 ( 0.001 0.975 -0.714) 1.209 3.576 ( 1.199 2.062 -3.827) 4.509 3.721 ( -1.603 0.230 3.180) 3.568 4.056 ( 1.024 -2.346 -2.315) 3.451 4.146 ( -0.355 0.850 0.650) 1.127 4.290 ( 0.799 -0.928 -1.332) 1.810 4.726 ( -6.137 -6.916 8.106) 12.296 4.871 ( -1.034 -1.849 0.816) 2.271 5.300 ( 1.381 0.418 -3.948) 4.203 5.344 ( -2.731 5.329 -7.252) 9.405 5.461 ( -2.889 1.377 2.819) 4.265 5.591 ( 0.015 -0.315 0.247) 0.401 6.102 ( -3.045 4.153 -1.576) 5.385 6.137 ( 0.786 1.145 0.769) 1.587 6.169 ( 0.466 0.626 0.579) 0.972 6.326 ( 8.644 -2.343 0.829) 8.994======================= Grid point 72 (30/116) =======================q-point: ( 0.12 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.372 ( 5.626 7.720 3.518) 10.180 0.544 ( 1.048 12.762 6.941) 14.565 0.743 ( -0.325 13.153 13.730) 19.016 0.839 ( 1.761 0.270 -2.324) 2.929 0.906 ( 2.921 2.347 1.665) 4.100 1.075 ( 3.222 -2.779 1.021) 4.375 1.203 ( -0.015 2.213 2.817) 3.583 1.233 ( -0.904 -1.584 4.376) 4.741 1.264 ( -2.726 0.664 6.632) 7.202 1.391 ( 1.308 -0.398 3.250) 3.526 1.511 ( -2.391 -1.791 0.886) 3.115 1.650 ( 0.725 0.726 -0.755) 1.274 1.702 ( -0.685 -0.796 0.379) 1.117 1.726 ( 1.151 -0.366 0.902) 1.508 1.783 ( -0.114 3.429 -0.955) 3.562 1.949 ( -1.053 -5.382 -3.977) 6.774 2.093 ( 0.910 -2.983 -2.437) 3.958 2.145 ( -0.966 -2.663 0.795) 2.942 2.287 ( 0.135 2.206 -1.130) 2.482 2.441 ( -1.115 -0.104 -1.399) 1.792 3.464 ( -0.216 1.022 -0.857) 1.351 3.567 ( 1.774 2.012 -3.690) 4.562 3.722 ( -1.466 0.133 2.823) 3.183 4.049 ( 0.760 -2.376 -2.412) 3.470 4.144 ( -0.474 0.915 0.561) 1.173 4.292 ( 0.730 -0.818 -1.227) 1.646 4.688 ( -5.508 -2.449 6.359) 8.762 4.863 ( -0.637 -1.822 0.736) 2.066 5.227 ( -3.148 7.337 -3.380) 8.669 5.291 ( 1.357 0.621 -3.960) 4.232 5.448 ( -2.150 0.418 3.052) 3.756 5.591 ( -0.314 -0.314 0.390) 0.591 6.064 ( -1.532 2.097 0.815) 2.722 6.146 ( -0.697 -0.043 0.828) 1.083 6.193 ( 1.533 2.670 1.025) 3.245 6.412 ( 2.867 -2.398 -1.802) 4.149======================= Grid point 73 (31/116) =======================q-point: ( 0.25 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.505 ( 6.308 5.912 1.234) 8.733 0.610 ( 1.262 13.522 5.026) 14.481 0.836 ( -0.421 0.748 3.597) 3.698 0.855 ( 0.689 7.903 4.935) 9.342 0.954 ( 0.245 2.327 1.918) 3.026 1.115 ( 1.734 -3.693 -1.277) 4.275 1.200 ( -2.974 -0.720 2.332) 3.847 1.256 ( 1.727 3.783 2.439) 4.821 1.304 ( -1.451 -1.554 4.889) 5.331 1.430 ( 0.252 -0.930 2.014) 2.232 1.489 ( -1.811 -0.538 2.231) 2.923 1.652 ( 0.574 0.120 -0.878) 1.056 1.698 ( -0.466 -0.732 0.482) 0.992 1.752 ( 0.946 -0.035 0.269) 0.984 1.767 ( -1.186 3.233 0.153) 3.447 1.897 ( -0.193 -5.358 -4.393) 6.931 2.082 ( 0.466 -3.197 -2.430) 4.043 2.138 ( -1.274 -3.413 1.883) 4.102 2.283 ( 0.675 2.084 -1.767) 2.815 2.420 ( -0.712 -0.509 0.731) 1.140 3.455 ( 0.024 0.901 -0.687) 1.133 3.571 ( 2.385 2.296 -3.306) 4.679 3.721 ( -1.496 0.001 2.659) 3.051 4.041 ( 0.822 -2.302 -2.362) 3.399 4.142 ( -0.382 0.921 0.580) 1.154 4.293 ( 0.698 -0.737 -1.130) 1.519 4.659 ( -3.917 -0.158 5.091) 6.426 4.863 ( -0.308 -1.864 1.016) 2.145 5.175 ( -1.035 5.507 -1.009) 5.693 5.281 ( 1.494 0.295 -3.565) 3.877 5.440 ( -1.904 0.183 2.929) 3.498 5.587 ( -0.622 -0.308 0.549) 0.886 6.055 ( -0.418 1.025 0.636) 1.276 6.133 ( -1.419 -0.487 0.558) 1.601 6.230 ( 1.608 3.760 0.688) 4.146 6.421 ( 0.825 -0.170 -2.194) 2.350======================= Grid point 74 (32/116) =======================q-point: ( 0.38 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.581 ( 1.521 8.621 1.549) 8.890 0.698 ( 3.538 6.758 4.409) 8.811 0.854 ( 0.647 1.851 0.443) 2.010 0.877 ( -3.585 6.910 4.496) 8.990 0.950 ( -1.588 1.909 0.271) 2.497 1.107 ( -0.179 -3.611 -4.102) 5.468 1.184 ( -0.168 -2.114 1.052) 2.367 1.276 ( -4.356 -0.520 3.414) 5.559 1.314 ( 1.993 3.203 -0.193) 3.777 1.437 ( -0.576 -0.781 0.487) 1.086 1.474 ( -1.984 0.153 0.845) 2.162 1.659 ( 0.857 -0.487 -0.082) 0.989 1.695 ( -0.171 -1.025 0.402) 1.114 1.743 ( -0.405 2.513 -0.518) 2.598 1.772 ( -0.424 -0.478 1.902) 2.006 1.871 ( 1.374 -3.753 -3.693) 5.442 2.064 ( 0.191 -3.028 -2.861) 4.171 2.136 ( -1.092 -3.670 2.083) 4.359 2.273 ( 0.415 1.591 -2.250) 2.787 2.431 ( -0.315 -1.102 3.169) 3.370 3.453 ( 0.258 0.679 -0.481) 0.871 3.586 ( 2.534 2.696 -3.010) 4.770 3.719 ( -1.647 -0.070 2.745) 3.202 4.036 ( 1.017 -2.167 -2.179) 3.237 4.142 ( -0.298 0.917 0.608) 1.140 4.295 ( 0.701 -0.718 -1.069) 1.467 4.645 ( -2.944 0.590 4.693) 5.571 4.870 ( -0.249 -1.904 1.501) 2.437 5.162 ( -0.090 4.479 -0.081) 4.481 5.279 ( 1.743 0.129 -3.107) 3.565 5.436 ( -1.740 0.080 2.983) 3.455 5.581 ( -0.679 -0.279 0.585) 0.938 6.059 ( 0.457 0.376 0.074) 0.596 6.111 ( -1.602 -0.627 0.322) 1.750 6.253 ( 0.789 4.145 -0.421) 4.241 6.410 ( 0.464 1.342 -2.592) 2.955======================= Grid point 75 (33/116) =======================q-point: (-0.50 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.606 ( -0.981 9.252 3.183) 9.833 0.761 ( 0.229 -1.010 -3.990) 4.122 0.822 ( -6.453 6.226 9.537) 13.090 0.880 ( 1.041 8.483 -0.369) 8.554 0.914 ( -1.298 1.468 -1.739) 2.620 1.042 ( -0.851 -2.381 -7.349) 7.772 1.205 ( -3.024 -2.112 2.494) 4.453 1.208 ( -0.751 -2.582 -1.113) 2.910 1.336 ( -0.009 1.973 0.174) 1.981 1.421 ( -1.222 1.202 -0.971) 1.970 1.440 ( -1.214 0.106 -0.838) 1.479 1.674 ( 0.460 -1.175 0.281) 1.293 1.705 ( 0.850 -1.434 0.525) 1.747 1.747 ( 0.972 1.951 0.184) 2.187 1.776 ( -1.204 -0.114 2.432) 2.716 1.873 ( 2.235 -2.742 -2.871) 4.556 2.039 ( 0.302 -3.059 -3.261) 4.481 2.138 ( -0.642 -3.250 1.615) 3.685 2.261 ( 0.201 1.244 -1.312) 1.819 2.458 ( -0.352 -1.482 3.707) 4.008 3.454 ( 0.308 0.594 -0.359) 0.759 3.600 ( 2.257 2.876 -3.018) 4.741 3.716 ( -1.780 -0.133 3.096) 3.574 4.036 ( 1.174 -2.043 -2.010) 3.097 4.142 ( -0.372 0.939 0.585) 1.167 4.297 ( 0.605 -0.775 -1.071) 1.454 4.645 ( -2.233 0.617 5.146) 5.643 4.880 ( -0.428 -1.933 1.891) 2.738 5.167 ( 0.418 4.564 0.460) 4.606 5.284 ( 2.050 0.096 -2.796) 3.468 5.434 ( -1.692 0.080 3.178) 3.601 5.576 ( -0.427 -0.268 0.476) 0.694 6.070 ( 0.653 -0.313 -0.080) 0.728 6.088 ( -1.004 -0.635 0.084) 1.191 6.247 ( -0.456 4.231 -1.600) 4.547 6.392 ( 0.568 1.886 -3.361) 3.896======================= Grid point 76 (34/116) =======================q-point: (-0.38 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.595 ( -4.442 7.871 2.952) 9.508 0.631 ( -6.708 1.707 -6.462) 9.469 0.823 ( -4.624 4.569 6.861) 9.451 0.861 ( -1.567 3.616 -1.400) 4.182 0.893 ( -0.744 6.591 -1.987) 6.924 0.967 ( 0.272 0.491 -6.866) 6.888 1.130 ( -3.407 -2.006 -0.176) 3.958 1.231 ( -0.196 -3.076 1.884) 3.612 1.309 ( -2.515 0.331 -0.764) 2.649 1.387 ( -0.153 -0.607 -2.686) 2.758 1.436 ( 0.564 2.185 0.526) 2.317 1.677 ( -0.022 -1.458 -0.220) 1.474 1.724 ( 0.616 -0.690 -0.031) 0.926 1.759 ( -1.128 0.407 2.441) 2.720 1.796 ( 1.508 -0.246 1.583) 2.200 1.893 ( 2.646 -2.081 -1.928) 3.879 2.024 ( 1.426 -3.179 -3.020) 4.611 2.143 ( 0.069 -2.653 0.772) 2.764 2.258 ( 0.241 1.422 -0.070) 1.444 2.483 ( -0.323 -1.555 3.068) 3.455 3.458 ( 0.465 0.688 -0.222) 0.859 3.607 ( 1.811 2.790 -3.215) 4.626 3.715 ( -1.841 -0.142 3.551) 4.003 4.039 ( 1.361 -1.993 -1.938) 3.096 4.140 ( -0.369 0.969 0.579) 1.188 4.296 ( 0.463 -0.882 -1.178) 1.542 4.662 ( -1.941 -0.162 6.489) 6.776 4.887 ( -0.753 -1.964 1.948) 2.868 5.189 ( 1.482 5.833 1.174) 6.132 5.297 ( 2.275 0.209 -2.770) 3.590 5.436 ( -1.586 0.218 3.568) 3.910 5.576 ( -0.063 -0.312 0.289) 0.430 6.064 ( -1.015 -0.624 0.476) 1.283 6.094 ( 1.319 -0.686 -0.320) 1.521 6.215 ( -1.136 4.189 -2.001) 4.780 6.364 ( 0.380 1.638 -4.862) 5.144======================= Grid point 77 (35/116) =======================q-point: (-0.25 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.416 ( -9.219 2.172 -6.436) 11.451 0.532 ( -8.163 8.873 4.398) 12.834 0.767 ( -4.172 5.643 -1.159) 7.114 0.807 ( -5.646 9.594 2.811) 11.482 0.864 ( 0.581 1.712 -2.315) 2.937 0.937 ( 1.836 1.871 -3.768) 4.590 1.096 ( -1.786 -3.043 1.899) 4.007 1.237 ( -1.156 -1.614 2.601) 3.272 1.261 ( -2.295 0.708 0.383) 2.432 1.366 ( -0.703 -0.474 -1.010) 1.319 1.462 ( 2.218 -0.054 -0.192) 2.227 1.672 ( -0.199 -1.540 -0.305) 1.582 1.719 ( -0.698 0.385 -0.240) 0.832 1.761 ( -1.833 0.010 3.225) 3.709 1.830 ( 1.859 -3.438 -1.717) 4.269 1.930 ( 2.558 -1.288 0.311) 2.881 2.037 ( 2.960 -2.730 -2.509) 4.745 2.154 ( 0.722 -2.368 0.038) 2.476 2.272 ( 1.049 1.792 0.793) 2.223 2.499 ( -0.461 -1.223 1.739) 2.176 3.466 ( 0.678 0.817 -0.138) 1.071 3.603 ( 1.357 2.625 -3.469) 4.557 3.717 ( -1.850 -0.002 3.778) 4.207 4.047 ( 1.550 -2.051 -1.967) 3.237 4.141 ( -0.193 0.946 0.642) 1.160 4.292 ( 0.479 -0.976 -1.342) 1.727 4.695 ( -2.286 -2.737 8.751) 9.450 4.888 ( -1.078 -1.978 1.660) 2.798 5.249 ( 4.223 7.463 1.674) 8.737 5.311 ( 2.406 0.682 -2.562) 3.580 5.446 ( -1.271 0.658 4.090) 4.333 5.579 ( 0.188 -0.390 0.155) 0.460 6.059 ( 0.131 0.331 0.912) 0.979 6.115 ( 1.210 -0.571 -0.083) 1.341 6.181 ( -0.774 3.804 -1.411) 4.131 6.311 ( -0.729 1.458 -6.761) 6.954======================= Grid point 78 (36/116) =======================q-point: (-0.12 0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.261 ( -5.728 5.008 5.476) 9.374 0.424 ( -8.749 9.079 6.234) 14.066 0.697 ( -5.704 15.343 4.842) 17.070 0.753 ( -0.399 6.474 -0.490) 6.504 0.864 ( 0.804 -0.543 -0.932) 1.346 0.953 ( 2.581 0.751 -1.346) 3.006 1.101 ( -0.775 -3.086 4.394) 5.425 1.228 ( -2.066 0.406 1.649) 2.674 1.265 ( 0.448 -0.266 3.492) 3.531 1.342 ( -1.907 0.250 0.846) 2.102 1.503 ( 2.700 -2.026 -0.337) 3.392 1.664 ( -0.620 -1.084 -0.319) 1.289 1.705 ( -0.796 0.165 0.326) 0.876 1.749 ( -2.312 -0.389 1.792) 2.951 1.821 ( 0.178 -3.056 -3.502) 4.651 1.973 ( 1.817 -3.271 0.143) 3.745 2.071 ( 3.313 -1.946 -2.619) 4.650 2.164 ( 0.449 -2.377 -0.463) 2.463 2.302 ( 1.733 1.235 -0.604) 2.213 2.497 ( -0.752 -0.665 0.145) 1.014 3.475 ( 0.490 0.905 -0.341) 1.084 3.592 ( 1.088 2.382 -3.699) 4.532 3.719 ( -1.767 0.174 3.596) 4.011 4.055 ( 1.447 -2.208 -2.125) 3.389 4.144 ( -0.157 0.852 0.712) 1.121 4.290 ( 0.681 -0.996 -1.397) 1.845 4.732 ( -3.796 -7.277 9.737) 12.735 4.881 ( -1.210 -1.944 1.202) 2.586 5.304 ( 2.290 1.080 -3.521) 4.337 5.369 ( 4.673 3.127 -1.427) 5.801 5.470 ( -0.284 1.849 3.709) 4.154 5.585 ( 0.302 -0.390 0.328) 0.593 6.102 ( 3.296 1.171 1.153) 3.683 6.142 ( 2.414 0.947 1.028) 2.789 6.168 ( 0.730 4.254 -1.699) 4.638 6.219 ( -2.717 2.036 -4.076) 5.305======================= Grid point 79 (37/116) =======================q-point: ( 0.00 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.455 ( 0.643 9.627 6.976) 11.906 0.606 ( 1.027 10.299 4.581) 11.319 0.813 ( 4.029 2.577 0.369) 4.797 0.862 ( 1.611 -1.130 -1.580) 2.523 0.987 ( 2.304 -0.840 0.158) 2.457 1.074 ( 1.836 3.150 1.055) 3.795 1.096 ( -1.402 7.457 7.048) 10.356 1.245 ( -2.351 3.412 3.438) 5.384 1.310 ( 1.303 -1.225 4.539) 4.878 1.343 ( -2.840 4.132 3.770) 6.273 1.480 ( -0.589 -2.200 0.969) 2.475 1.608 ( 0.579 -5.803 -2.559) 6.369 1.684 ( 0.691 -0.701 0.109) 0.990 1.705 ( 0.219 -0.566 0.102) 0.615 1.812 ( -0.799 1.313 0.536) 1.628 1.904 ( -1.151 -3.786 -0.550) 3.995 2.007 ( 0.783 -4.824 -0.687) 4.935 2.100 ( -1.237 -4.684 1.739) 5.147 2.340 ( 1.596 2.790 -3.051) 4.431 2.467 ( -0.514 -0.469 -1.569) 1.717 3.497 ( -0.221 1.434 -0.328) 1.487 3.601 ( 0.135 -0.203 -1.737) 1.754 3.747 ( -0.442 2.882 0.436) 2.948 3.993 ( 0.759 -4.053 -1.983) 4.575 4.171 ( -0.146 1.613 0.193) 1.631 4.266 ( 0.683 -1.520 -1.011) 1.949 4.679 ( -2.059 0.295 3.445) 4.024 4.823 ( -0.731 -2.973 0.458) 3.096 5.311 ( 1.195 0.759 -3.570) 3.841 5.370 ( -0.048 -0.590 -3.357) 3.409 5.491 ( -2.626 1.439 2.208) 3.720 5.576 ( -0.392 -1.225 1.050) 1.660 6.153 ( -1.505 1.434 -0.015) 2.079 6.160 ( -0.512 0.878 0.431) 1.104 6.205 ( 1.059 2.955 -0.282) 3.152 6.298 ( 4.417 -0.778 1.395) 4.697======================= Grid point 80 (38/116) =======================q-point: ( 0.12 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.529 ( 3.022 8.217 2.744) 9.174 0.701 ( 3.097 7.492 5.569) 9.835 0.840 ( 1.196 -0.561 -2.549) 2.871 0.922 ( 2.584 1.529 4.157) 5.128 1.033 ( 2.750 -0.764 -0.568) 2.910 1.096 ( 0.674 12.967 1.110) 13.032 1.177 ( 0.395 -2.417 8.513) 8.859 1.242 ( -1.578 2.411 3.664) 4.661 1.327 ( -3.227 5.443 5.054) 8.098 1.373 ( 1.180 -1.023 4.010) 4.304 1.467 ( -2.038 -2.416 1.947) 3.712 1.599 ( 1.284 -6.072 -3.032) 6.908 1.691 ( -0.051 -0.498 0.803) 0.947 1.728 ( 1.856 0.300 -0.631) 1.983 1.804 ( -0.055 -0.190 -0.632) 0.662 1.866 ( -2.040 -3.241 -1.392) 4.075 2.004 ( -0.619 -4.098 -0.031) 4.144 2.092 ( -1.592 -4.265 1.817) 4.902 2.335 ( 1.098 3.024 -2.741) 4.226 2.440 ( -0.774 0.044 -1.691) 1.860 3.487 ( -0.420 1.394 -0.508) 1.542 3.592 ( 0.771 -0.115 -1.700) 1.870 3.743 ( -0.368 2.511 0.233) 2.548 3.986 ( 0.659 -4.102 -2.157) 4.681 4.169 ( -0.309 1.588 0.220) 1.633 4.269 ( 0.659 -1.525 -0.917) 1.898 4.675 ( -1.855 0.783 3.030) 3.638 4.817 ( -0.410 -2.879 0.325) 2.927 5.296 ( 0.597 1.040 -3.346) 3.554 5.323 ( -1.016 1.651 -3.834) 4.296 5.467 ( -2.600 1.630 2.716) 4.098 5.576 ( -0.704 -1.305 1.085) 1.837 6.110 ( -2.433 2.409 0.536) 3.466 6.151 ( -1.342 0.491 0.911) 1.695 6.254 ( 2.949 3.454 1.066) 4.665 6.376 ( 3.545 -1.393 0.121) 3.811======================= Grid point 81 (39/116) =======================q-point: ( 0.25 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.607 ( 4.345 4.986 0.255) 6.618 0.777 ( 1.349 5.000 1.884) 5.511 0.845 ( 1.817 0.338 -0.563) 1.932 0.980 ( -0.308 1.689 3.510) 3.908 1.062 ( 1.159 -0.749 -0.753) 1.572 1.105 ( -0.171 9.917 -0.395) 9.927 1.209 ( -3.212 2.871 4.787) 6.440 1.270 ( -1.404 -1.354 5.400) 5.742 1.340 ( -0.069 5.134 4.321) 6.711 1.410 ( 0.088 -0.897 1.660) 1.889 1.463 ( -1.054 -2.188 2.860) 3.752 1.593 ( 0.770 -5.779 -2.038) 6.176 1.697 ( -0.138 -0.653 0.287) 0.726 1.739 ( 0.464 -0.687 -0.933) 1.248 1.792 ( -1.370 -0.479 0.050) 1.453 1.833 ( 1.130 -1.104 -2.748) 3.170 1.990 ( -1.184 -3.779 0.446) 3.985 2.081 ( -1.675 -4.053 2.103) 4.864 2.329 ( 0.910 2.864 -2.781) 4.095 2.417 ( -0.663 0.180 -0.195) 0.714 3.477 ( -0.217 1.439 -0.348) 1.496 3.598 ( 1.315 -0.352 -1.178) 1.801 3.740 ( -0.191 2.460 0.191) 2.474 3.979 ( 0.829 -4.015 -2.084) 4.599 4.167 ( -0.237 1.606 0.306) 1.652 4.272 ( 0.635 -1.501 -0.887) 1.855 4.670 ( -1.686 1.319 2.676) 3.427 4.816 ( -0.087 -2.878 0.493) 2.922 5.267 ( -0.670 3.305 -2.100) 3.973 5.291 ( 0.836 0.742 -3.167) 3.359 5.452 ( -2.089 1.281 2.782) 3.708 5.572 ( -0.967 -1.362 1.225) 2.071 6.084 ( -1.312 1.909 0.683) 2.415 6.132 ( -1.725 0.250 0.708) 1.881 6.310 ( 2.482 4.276 0.548) 4.974 6.421 ( 2.306 0.042 -0.999) 2.513======================= Grid point 82 (40/116) =======================q-point: ( 0.38 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.671 ( 3.512 2.015 -1.599) 4.353 0.796 ( 0.894 2.209 -0.298) 2.402 0.882 ( 1.068 2.664 0.797) 2.978 0.976 ( -2.075 1.694 1.056) 2.879 1.045 ( -1.953 -0.632 -0.988) 2.278 1.108 ( 1.832 8.067 -1.155) 8.353 1.184 ( -3.309 3.915 2.914) 5.897 1.256 ( -4.325 -0.972 2.715) 5.198 1.373 ( -0.726 2.156 2.133) 3.119 1.428 ( 1.112 0.011 1.104) 1.567 1.460 ( -1.603 -1.521 0.705) 2.319 1.593 ( 0.228 -5.468 0.060) 5.473 1.689 ( -0.428 -0.512 -0.283) 0.725 1.745 ( 1.062 -1.151 -0.459) 1.632 1.774 ( -0.743 0.113 0.541) 0.926 1.839 ( 1.972 -0.323 -2.898) 3.520 1.972 ( -1.181 -3.733 0.025) 3.916 2.075 ( -1.455 -3.983 2.683) 5.018 2.314 ( 0.647 2.889 -3.181) 4.345 2.418 ( -0.233 -0.284 1.783) 1.820 3.474 ( 0.017 1.529 -0.105) 1.532 3.612 ( 1.210 -0.793 -0.671) 1.595 3.740 ( -0.081 2.806 0.219) 2.815 3.977 ( 1.026 -3.823 -1.815) 4.355 4.166 ( -0.145 1.632 0.356) 1.677 4.274 ( 0.603 -1.488 -0.912) 1.847 4.666 ( -1.510 1.683 2.596) 3.443 4.822 ( 0.012 -2.960 0.860) 3.083 5.248 ( 0.093 3.726 -0.908) 3.836 5.283 ( 1.326 0.391 -2.595) 2.940 5.445 ( -1.752 1.118 2.870) 3.544 5.567 ( -1.003 -1.342 1.295) 2.118 6.074 ( -0.362 1.197 0.130) 1.257 6.107 ( -1.671 0.151 0.213) 1.692 6.342 ( 1.212 4.739 -0.683) 4.939 6.438 ( 1.323 1.363 -1.999) 2.758======================= Grid point 83 (41/116) =======================q-point: (-0.50 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.689 ( 0.562 0.255 -2.863) 2.929 0.806 ( 0.769 4.001 -1.475) 4.333 0.871 ( -2.799 1.823 1.199) 3.549 0.947 ( -0.668 2.130 -2.285) 3.195 0.996 ( -1.295 -0.765 -3.237) 3.570 1.144 ( 1.698 10.852 1.535) 11.090 1.166 ( -1.202 0.431 1.506) 1.974 1.186 ( -4.310 -0.031 -0.154) 4.312 1.353 ( -2.156 -0.332 -0.154) 2.187 1.415 ( -2.184 -1.849 -2.103) 3.551 1.462 ( -0.196 1.984 2.876) 3.500 1.602 ( 0.529 -5.315 0.405) 5.356 1.687 ( 0.342 -0.549 0.055) 0.649 1.760 ( 0.647 -1.002 -0.260) 1.220 1.776 ( -0.015 0.102 1.450) 1.453 1.845 ( 1.873 -0.723 -2.798) 3.444 1.952 ( -0.739 -3.377 -0.514) 3.495 2.080 ( -1.164 -3.931 3.115) 5.149 2.299 ( 0.929 3.009 -2.818) 4.226 2.435 ( 0.022 -0.853 2.257) 2.413 3.475 ( 0.120 1.593 0.062) 1.599 3.623 ( 0.646 -1.233 -0.409) 1.451 3.741 ( -0.075 3.270 0.316) 3.286 3.980 ( 1.074 -3.648 -1.576) 4.116 4.167 ( -0.200 1.660 0.349) 1.708 4.275 ( 0.465 -1.523 -0.979) 1.869 4.667 ( -1.249 1.734 2.784) 3.510 4.830 ( -0.147 -3.089 1.183) 3.311 5.253 ( 1.007 3.632 -0.131) 3.772 5.289 ( 1.770 0.343 -2.174) 2.824 5.444 ( -1.526 1.185 3.148) 3.693 5.563 ( -0.792 -1.260 1.232) 1.933 6.072 ( -0.043 0.508 -0.281) 0.582 6.084 ( -0.676 0.155 -0.300) 0.756 6.338 ( -0.332 4.857 -1.858) 5.210 6.430 ( 0.337 1.754 -2.971) 3.467======================= Grid point 84 (42/116) =======================q-point: (-0.38 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.626 ( -3.579 1.741 -5.052) 6.432 0.772 ( -4.274 7.745 0.366) 8.854 0.836 ( -0.676 -1.072 -2.508) 2.810 0.917 ( -0.081 2.722 -3.621) 4.530 0.957 ( 0.992 0.530 -3.539) 3.713 1.090 ( -3.355 -1.790 -2.768) 4.703 1.159 ( -2.466 7.547 3.433) 8.650 1.206 ( 1.705 5.454 1.276) 5.855 1.309 ( -2.572 -0.197 0.193) 2.587 1.359 ( -1.037 -2.336 -3.115) 4.030 1.473 ( -1.689 1.768 3.310) 4.116 1.615 ( 0.981 -4.855 -0.484) 4.977 1.696 ( 0.161 -1.669 0.305) 1.704 1.757 ( -0.360 -1.542 -0.457) 1.648 1.795 ( -0.170 1.071 2.556) 2.776 1.859 ( 2.701 -2.373 -2.353) 4.297 1.944 ( 0.280 -2.625 -0.176) 2.645 2.088 ( -1.037 -4.065 2.871) 5.083 2.297 ( 1.556 3.064 -2.272) 4.120 2.457 ( 0.401 -1.177 1.706) 2.111 3.480 ( 0.309 1.617 0.223) 1.661 3.627 ( 0.200 -1.388 -0.350) 1.446 3.743 ( -0.104 3.523 0.538) 3.566 3.985 ( 1.097 -3.596 -1.487) 4.043 4.166 ( -0.198 1.691 0.332) 1.735 4.272 ( 0.317 -1.567 -1.083) 1.931 4.673 ( -1.199 1.399 3.110) 3.615 4.837 ( -0.454 -3.196 1.272) 3.469 5.280 ( 2.152 2.962 0.086) 3.662 5.304 ( 2.163 0.587 -1.852) 2.907 5.451 ( -1.223 1.500 3.702) 4.177 5.562 ( -0.490 -1.170 1.071) 1.660 6.063 ( -0.164 0.546 -0.189) 0.601 6.087 ( 1.124 -0.102 -0.506) 1.237 6.303 ( -1.410 4.621 -2.200) 5.309 6.396 ( -0.724 1.371 -3.872) 4.171======================= Grid point 85 (43/116) =======================q-point: (-0.25 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( -5.519 6.467 -4.367) 9.558 0.687 ( -6.291 7.658 1.920) 10.095 0.792 ( 0.149 1.428 -6.184) 6.348 0.876 ( 0.117 0.984 -3.745) 3.874 0.959 ( 1.479 0.753 -2.242) 2.789 1.034 ( -1.263 -2.436 -0.732) 2.840 1.130 ( -3.371 9.103 2.005) 9.912 1.231 ( -0.400 3.592 2.492) 4.390 1.278 ( -1.714 1.891 0.931) 2.717 1.338 ( 0.428 -1.173 -0.510) 1.349 1.469 ( -1.593 0.712 2.332) 2.913 1.623 ( 0.876 -4.398 -1.341) 4.681 1.692 ( -1.087 -2.784 0.852) 3.108 1.741 ( -0.572 -1.147 -1.364) 1.871 1.812 ( -0.753 1.425 2.818) 3.247 1.894 ( 3.140 -3.538 -1.668) 5.016 1.956 ( 0.970 -3.107 0.502) 3.293 2.096 ( -0.858 -4.494 2.350) 5.143 2.311 ( 2.264 2.926 -2.056) 4.232 2.476 ( 0.498 -1.196 0.632) 1.441 3.489 ( 0.485 1.595 0.300) 1.694 3.624 ( -0.013 -1.125 -0.617) 1.283 3.747 ( -0.183 3.518 0.747) 3.601 3.991 ( 1.139 -3.702 -1.546) 4.171 4.167 ( -0.027 1.697 0.307) 1.725 4.267 ( 0.356 -1.559 -1.165) 1.978 4.680 ( -1.547 0.794 3.455) 3.867 4.837 ( -0.745 -3.206 1.101) 3.470 5.311 ( 2.211 0.848 -2.416) 3.383 5.339 ( 2.902 0.955 -0.111) 3.057 5.471 ( -0.582 1.816 4.279) 4.685 5.565 ( -0.263 -1.100 0.968) 1.488 6.074 ( 1.622 1.076 0.281) 1.966 6.108 ( 1.686 -0.147 -0.074) 1.694 6.259 ( -1.535 3.969 -1.419) 4.486 6.336 ( -1.841 1.044 -4.352) 4.840======================= Grid point 86 (44/116) =======================q-point: (-0.12 0.29 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.411 ( -2.746 10.094 3.447) 11.014 0.609 ( -4.530 10.016 2.503) 11.274 0.762 ( 2.517 2.683 -3.593) 5.143 0.860 ( 1.198 -0.633 -2.769) 3.083 0.963 ( 1.102 -0.201 -1.141) 1.599 1.030 ( 0.288 -3.592 1.834) 4.044 1.098 ( -2.679 12.385 2.781) 12.973 1.254 ( -1.170 4.324 4.463) 6.323 1.262 ( -0.466 -0.503 1.039) 1.245 1.347 ( -0.872 1.792 2.418) 3.133 1.471 ( 0.187 -0.946 0.960) 1.361 1.621 ( 0.447 -4.893 -1.764) 5.220 1.680 ( -0.783 -2.649 0.519) 2.810 1.717 ( -0.887 -0.492 -0.807) 1.296 1.818 ( -1.056 1.758 1.894) 2.791 1.915 ( 0.529 -3.276 -0.804) 3.414 1.986 ( 1.994 -4.899 -0.167) 5.292 2.101 ( -0.837 -4.833 1.953) 5.280 2.332 ( 2.353 2.612 -2.561) 4.349 2.481 ( 0.033 -0.954 -0.601) 1.128 3.498 ( 0.261 1.519 0.075) 1.543 3.615 ( -0.095 -0.615 -1.221) 1.370 3.749 ( -0.343 3.287 0.699) 3.378 3.995 ( 1.022 -3.897 -1.730) 4.385 4.170 ( 0.041 1.665 0.246) 1.684 4.265 ( 0.558 -1.520 -1.130) 1.975 4.682 ( -1.971 0.277 3.625) 4.135 4.832 ( -0.860 -3.111 0.776) 3.319 5.318 ( 1.717 0.722 -3.269) 3.763 5.376 ( 1.795 -0.891 -1.337) 2.409 5.499 ( -0.768 1.104 3.174) 3.447 5.571 ( -0.169 -1.103 1.115) 1.578 6.122 ( 2.961 0.990 0.511) 3.164 6.144 ( 1.978 0.092 0.721) 2.107 6.238 ( 0.447 2.699 0.344) 2.758 6.258 ( -2.891 1.761 -3.556) 4.910======================= Grid point 87 (45/116) =======================q-point: ( 0.00 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.643 ( 0.129 9.567 4.275) 10.479 0.777 ( 0.902 1.063 -0.575) 1.509 0.820 ( 1.317 2.332 2.114) 3.412 0.876 ( 2.993 3.410 -0.736) 4.597 0.950 ( 3.210 -3.508 2.551) 5.396 0.979 ( 2.565 -5.274 0.705) 5.907 1.206 ( -0.265 2.332 5.257) 5.757 1.250 ( 0.678 -2.278 4.780) 5.339 1.377 ( -0.731 4.496 -0.058) 4.555 1.426 ( 1.176 0.871 -1.227) 1.910 1.458 ( -1.710 0.023 1.730) 2.433 1.502 ( -1.654 -4.275 -0.108) 4.585 1.685 ( -0.197 1.855 2.122) 2.826 1.707 ( -1.957 0.842 2.516) 3.297 1.843 ( -0.091 1.562 -1.503) 2.170 1.872 ( -0.980 2.324 1.529) 2.950 1.939 ( -0.222 -2.687 1.306) 2.996 1.977 ( -0.953 -7.748 1.966) 8.050 2.402 ( 1.380 3.271 -2.772) 4.504 2.450 ( 0.499 -1.607 -2.189) 2.761 3.530 ( -0.513 2.042 0.056) 2.106 3.573 ( -0.563 -2.243 -0.009) 2.313 3.821 ( 0.399 4.473 -1.724) 4.810 3.909 ( 0.605 -4.637 -1.982) 5.079 4.203 ( 0.026 1.681 -0.122) 1.685 4.235 ( 0.384 -1.670 -0.595) 1.814 4.708 ( -0.736 2.441 1.081) 2.769 4.763 ( -0.511 -3.179 0.362) 3.240 5.329 ( 0.998 1.066 -3.125) 3.449 5.351 ( 0.670 -1.195 -2.844) 3.157 5.518 ( -1.798 1.455 2.303) 3.264 5.548 ( -1.027 -1.646 1.821) 2.661 6.171 ( -0.413 0.497 0.502) 0.818 6.172 ( -0.350 0.351 0.599) 0.777 6.256 ( 1.329 2.132 0.364) 2.538 6.284 ( 2.394 -0.934 1.068) 2.783======================= Grid point 88 (46/116) =======================q-point: ( 0.12 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.677 ( 0.581 7.104 1.641) 7.314 0.782 ( 0.089 -3.240 -0.741) 3.325 0.867 ( 3.407 6.748 -0.099) 7.560 0.942 ( 2.955 0.035 1.808) 3.464 1.021 ( 2.901 -0.222 1.956) 3.506 1.064 ( 3.112 -5.109 4.493) 7.481 1.257 ( -0.307 3.550 6.499) 7.412 1.301 ( -0.234 0.694 3.372) 3.451 1.364 ( -1.078 1.449 2.881) 3.400 1.422 ( -1.611 -2.294 0.267) 2.816 1.439 ( -1.669 2.641 1.502) 3.466 1.492 ( 1.311 -3.891 -2.016) 4.574 1.685 ( -1.473 0.339 1.608) 2.207 1.704 ( -1.014 -1.497 1.705) 2.485 1.829 ( -0.210 3.891 -0.621) 3.946 1.867 ( -0.654 2.998 0.652) 3.137 1.943 ( -0.647 -2.792 1.241) 3.123 1.979 ( -0.820 -7.076 1.778) 7.342 2.395 ( 0.746 2.906 -2.533) 3.926 2.434 ( 0.011 -1.025 -2.133) 2.367 3.520 ( -0.549 2.080 -0.121) 2.155 3.564 ( -0.307 -2.332 -0.111) 2.355 3.813 ( 0.559 4.387 -1.866) 4.800 3.900 ( 0.668 -4.711 -2.164) 5.227 4.202 ( -0.065 1.795 -0.084) 1.798 4.236 ( 0.354 -1.818 -0.517) 1.923 4.707 ( -0.557 2.374 0.993) 2.633 4.759 ( -0.271 -3.025 0.254) 3.048 5.314 ( 0.613 0.953 -3.029) 3.235 5.329 ( 0.102 -0.511 -3.069) 3.113 5.504 ( -2.136 2.101 2.272) 3.760 5.544 ( -1.324 -2.022 1.788) 3.006 6.146 ( -2.243 1.313 0.792) 2.717 6.158 ( -1.753 0.020 0.958) 1.998 6.314 ( 3.635 2.616 1.046) 4.598 6.352 ( 3.762 -1.422 0.859) 4.112======================= Grid point 89 (47/116) =======================q-point: ( 0.25 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 0.945 4.347 -0.284) 4.458 0.771 ( -0.249 -3.423 -1.032) 3.584 0.924 ( 3.728 5.749 -1.110) 6.941 0.991 ( 1.589 -0.889 0.406) 1.865 1.073 ( 0.258 1.761 2.291) 2.901 1.127 ( 0.883 -3.400 1.069) 3.672 1.294 ( -2.631 3.766 4.468) 6.408 1.298 ( -1.547 3.505 3.349) 5.089 1.383 ( -1.089 -2.100 1.230) 2.666 1.400 ( -1.916 -3.718 3.686) 5.575 1.438 ( 0.866 2.780 0.230) 2.921 1.497 ( 0.468 -3.753 -0.148) 3.785 1.675 ( -1.188 -0.142 1.331) 1.790 1.701 ( 0.078 -2.463 0.004) 2.464 1.821 ( -0.851 4.887 0.594) 4.996 1.864 ( 0.272 2.719 -0.507) 2.779 1.940 ( -0.921 -2.075 0.981) 2.473 1.981 ( -0.851 -6.117 1.644) 6.391 2.384 ( 0.458 2.608 -2.123) 3.394 2.416 ( -0.140 -0.656 -1.245) 1.414 3.512 ( -0.258 2.305 0.107) 2.322 3.563 ( 0.074 -2.706 0.223) 2.717 3.809 ( 0.899 4.321 -1.667) 4.717 3.895 ( 0.954 -4.624 -1.990) 5.123 4.201 ( 0.017 1.929 -0.026) 1.929 4.238 ( 0.380 -1.949 -0.481) 2.043 4.707 ( -0.489 2.429 0.989) 2.668 4.759 ( -0.056 -2.984 0.343) 3.004 5.298 ( 0.555 0.760 -2.493) 2.665 5.305 ( 0.178 0.238 -2.620) 2.637 5.489 ( -1.985 2.443 2.451) 3.990 5.536 ( -1.450 -2.322 1.917) 3.342 6.118 ( -1.796 1.466 0.718) 2.427 6.135 ( -1.868 -0.225 0.759) 2.029 6.380 ( 3.120 2.861 0.296) 4.243 6.415 ( 3.126 -0.890 -0.161) 3.254======================= Grid point 90 (48/116) =======================q-point: ( 0.38 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.705 ( 1.208 2.277 -1.498) 2.981 0.763 ( 0.571 -3.493 -0.909) 3.655 0.969 ( 2.586 4.271 -1.370) 5.177 0.999 ( -0.945 0.567 -0.078) 1.105 1.065 ( -2.102 2.534 0.002) 3.293 1.128 ( 0.858 -2.828 -2.485) 3.861 1.269 ( -3.325 3.160 2.068) 5.031 1.292 ( -2.532 3.117 2.858) 4.929 1.364 ( -1.621 -1.894 0.091) 2.495 1.397 ( -1.211 -3.692 0.799) 3.967 1.463 ( 0.709 1.411 1.683) 2.308 1.509 ( -0.562 -3.339 2.744) 4.358 1.672 ( 0.069 0.270 0.087) 0.292 1.708 ( 0.830 -2.711 -0.379) 2.861 1.814 ( -1.008 5.318 1.495) 5.616 1.864 ( 0.472 1.555 -1.116) 1.971 1.930 ( -0.766 -1.028 0.154) 1.291 1.982 ( -0.866 -5.620 1.917) 6.001 2.373 ( 0.392 2.851 -1.919) 3.459 2.410 ( 0.082 -0.946 -0.114) 0.957 3.512 ( -0.082 2.559 0.409) 2.593 3.568 ( 0.101 -3.084 0.578) 3.139 3.812 ( 1.054 4.342 -1.343) 4.665 3.897 ( 1.133 -4.462 -1.615) 4.879 4.202 ( 0.083 1.996 -0.017) 1.997 4.240 ( 0.375 -2.003 -0.514) 2.102 4.708 ( -0.482 2.613 1.081) 2.869 4.763 ( -0.000 -3.109 0.567) 3.160 5.290 ( 0.653 0.799 -1.650) 1.946 5.292 ( 0.884 0.371 -2.143) 2.347 5.481 ( -1.671 2.518 2.679) 4.038 5.530 ( -1.359 -2.401 2.076) 3.452 6.098 ( -1.063 1.074 0.073) 1.513 6.109 ( -1.512 -0.115 0.105) 1.520 6.419 ( 1.640 2.994 -1.056) 3.573 6.450 ( 1.745 -0.360 -1.473) 2.311======================= Grid point 91 (49/116) =======================q-point: (-0.50 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.709 ( 0.888 2.407 -1.938) 3.215 0.775 ( 1.489 -4.038 -0.790) 4.375 0.952 ( -2.881 3.247 -0.936) 4.441 0.983 ( -0.768 -0.096 -1.361) 1.566 1.024 ( -0.581 4.989 -2.607) 5.660 1.116 ( 0.188 -3.695 -3.569) 5.140 1.227 ( -1.784 4.142 -0.479) 4.535 1.287 ( 0.456 1.437 0.819) 1.715 1.327 ( -2.310 -1.432 -0.941) 2.876 1.364 ( -2.106 -3.152 -1.545) 4.094 1.492 ( -0.224 0.886 3.517) 3.633 1.526 ( -1.164 -2.666 4.381) 5.259 1.675 ( 0.253 0.531 -0.265) 0.645 1.716 ( 0.381 -2.889 -0.477) 2.952 1.817 ( -0.545 4.908 2.222) 5.415 1.860 ( 0.519 1.107 -1.429) 1.881 1.919 ( -0.234 -0.222 -0.377) 0.496 1.985 ( -1.003 -5.794 2.336) 6.327 2.365 ( 0.747 3.440 -1.750) 3.931 2.415 ( 0.446 -1.635 0.211) 1.708 3.515 ( -0.113 2.685 0.598) 2.753 3.574 ( -0.167 -3.258 0.777) 3.354 3.819 ( 0.921 4.429 -1.086) 4.653 3.903 ( 1.052 -4.353 -1.317) 4.668 4.202 ( 0.008 1.995 -0.042) 1.995 4.241 ( 0.250 -1.998 -0.582) 2.096 4.710 ( -0.463 2.746 1.214) 3.038 4.768 ( -0.105 -3.288 0.778) 3.381 5.292 ( 1.246 0.765 -1.328) 1.975 5.296 ( 1.440 0.286 -1.447) 2.061 5.481 ( -1.327 2.488 2.964) 4.091 5.528 ( -1.113 -2.274 2.179) 3.340 6.084 ( -0.351 0.567 -0.539) 0.857 6.088 ( -0.531 0.126 -0.538) 0.767 6.416 ( -0.160 3.037 -2.276) 3.799 6.447 ( 0.054 -0.239 -2.643) 2.654======================= Grid point 92 (50/116) =======================q-point: (-0.38 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.692 ( -0.778 4.836 -2.215) 5.376 0.785 ( 0.222 -4.178 -0.883) 4.276 0.887 ( -2.790 4.127 -2.405) 5.531 0.945 ( -0.954 -2.041 -2.311) 3.228 0.991 ( -0.692 4.972 -3.627) 6.193 1.062 ( -1.740 -1.917 -3.975) 4.744 1.203 ( -0.631 2.996 -1.560) 3.436 1.270 ( -2.710 -2.982 -1.965) 4.483 1.308 ( 2.255 0.437 -3.629) 4.295 1.339 ( 1.285 -1.176 1.125) 2.074 1.510 ( -2.174 1.720 4.788) 5.533 1.548 ( -1.463 -2.287 5.106) 5.783 1.672 ( -0.582 0.665 0.209) 0.909 1.711 ( -0.298 -2.524 -0.406) 2.573 1.833 ( 0.003 3.568 2.202) 4.193 1.858 ( 0.649 1.579 -1.309) 2.151 1.918 ( 0.285 -0.403 -0.060) 0.497 1.987 ( -1.438 -6.272 2.493) 6.901 2.368 ( 1.446 3.878 -1.786) 4.507 2.428 ( 1.005 -2.213 -0.141) 2.435 3.520 ( -0.041 2.644 0.768) 2.754 3.577 ( -0.309 -3.187 0.925) 3.333 3.824 ( 0.766 4.503 -0.942) 4.663 3.908 ( 0.934 -4.328 -1.216) 4.592 4.201 ( -0.032 1.934 -0.054) 1.935 4.238 ( 0.144 -1.925 -0.641) 2.034 4.713 ( -0.534 2.719 1.298) 3.060 4.773 ( -0.309 -3.393 0.863) 3.514 5.307 ( 1.835 0.632 -1.458) 2.427 5.314 ( 1.890 0.056 -1.035) 2.156 5.490 ( -0.971 2.300 3.275) 4.118 5.531 ( -0.841 -1.988 2.188) 3.074 6.077 ( 0.483 0.736 -0.639) 1.088 6.086 ( 0.880 -0.160 -0.724) 1.151 6.376 ( -1.616 2.877 -2.689) 4.257 6.407 ( -1.464 -0.379 -3.220) 3.557======================= Grid point 93 (51/116) =======================q-point: (-0.25 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( -2.184 8.404 -1.528) 8.816 0.773 ( -0.283 -3.059 -0.618) 3.134 0.822 ( -2.296 4.277 -1.824) 5.185 0.904 ( -1.170 -2.576 -3.396) 4.420 0.934 ( -0.762 2.988 -4.494) 5.450 1.006 ( -1.218 -1.989 -3.103) 3.882 1.177 ( -0.917 1.306 -0.222) 1.611 1.217 ( -1.575 -2.869 -0.501) 3.311 1.331 ( 3.496 2.330 -2.256) 4.768 1.382 ( 2.559 -1.080 -0.530) 2.828 1.502 ( -3.240 2.807 3.774) 5.712 1.558 ( -2.860 -2.791 4.789) 6.237 1.665 ( -1.043 1.916 1.600) 2.705 1.708 ( 0.193 -2.169 0.149) 2.183 1.849 ( 0.652 1.785 -0.252) 1.917 1.862 ( 0.026 2.196 1.014) 2.419 1.925 ( 0.020 -1.096 0.718) 1.311 1.982 ( -1.589 -6.891 2.329) 7.445 2.381 ( 2.045 3.957 -2.064) 4.909 2.444 ( 1.326 -2.434 -0.856) 2.901 3.528 ( 0.054 2.461 0.808) 2.591 3.580 ( -0.336 -2.893 0.885) 3.044 3.828 ( 0.676 4.523 -0.991) 4.679 3.913 ( 0.885 -4.365 -1.322) 4.646 4.201 ( 0.083 1.811 -0.063) 1.814 4.235 ( 0.217 -1.775 -0.670) 1.910 4.714 ( -0.729 2.613 1.286) 3.002 4.773 ( -0.526 -3.394 0.783) 3.523 5.325 ( 1.953 0.733 -2.016) 2.901 5.338 ( 2.019 -0.595 -1.229) 2.438 5.506 ( -0.737 1.751 3.341) 3.843 5.538 ( -0.675 -1.629 2.122) 2.759 6.094 ( 1.964 0.886 -0.188) 2.163 6.105 ( 1.911 -0.299 -0.261) 1.952 6.320 ( -2.220 2.327 -1.998) 3.786 6.345 ( -2.415 -0.307 -2.893) 3.781======================= Grid point 94 (52/116) =======================q-point: (-0.12 0.43 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.616 ( -1.236 10.643 2.398) 10.979 0.779 ( 0.809 -4.705 0.580) 4.809 0.783 ( -0.835 7.286 -0.083) 7.334 0.866 ( 0.586 4.123 -2.818) 5.029 0.904 ( 0.844 -4.723 -1.343) 4.982 0.967 ( 0.059 -3.849 -2.447) 4.561 1.176 ( -0.418 1.387 2.572) 2.952 1.212 ( -0.365 -2.537 2.724) 3.740 1.369 ( 2.505 3.157 -1.502) 4.301 1.411 ( 1.907 0.106 -1.329) 2.327 1.476 ( -2.522 2.015 1.974) 3.784 1.537 ( -3.460 -3.811 2.901) 5.909 1.669 ( -0.737 3.372 2.706) 4.386 1.713 ( -0.647 -0.462 1.354) 1.570 1.853 ( 0.655 0.389 -1.530) 1.710 1.871 ( -0.658 2.252 1.869) 2.999 1.931 ( -0.348 -1.789 1.393) 2.294 1.978 ( -1.218 -7.586 2.052) 7.952 2.396 ( 2.019 3.668 -2.508) 4.881 2.454 ( 1.064 -2.175 -1.653) 2.932 3.534 ( -0.157 2.210 0.513) 2.274 3.580 ( -0.478 -2.499 0.484) 2.589 3.828 ( 0.512 4.514 -1.319) 4.730 3.914 ( 0.762 -4.476 -1.617) 4.820 4.203 ( 0.148 1.691 -0.098) 1.700 4.234 ( 0.358 -1.646 -0.656) 1.807 4.712 ( -0.844 2.524 1.198) 2.919 4.769 ( -0.619 -3.320 0.581) 3.427 5.334 ( 1.565 0.963 -2.710) 3.274 5.355 ( 1.497 -1.192 -2.013) 2.778 5.519 ( -1.065 1.194 2.815) 3.238 5.545 ( -0.728 -1.454 2.011) 2.586 6.138 ( 2.774 0.635 0.403) 2.874 6.145 ( 2.380 -0.094 0.488) 2.431 6.275 ( -1.437 1.120 -0.406) 1.867 6.280 ( -2.403 0.507 -1.699) 2.986======================= Grid point 119 (53/116) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.437 ( -6.319 0.000 10.276) 12.063 0.468 ( -6.027 0.000 12.442) 13.825 0.772 ( 7.148 0.000 -1.014) 7.219 0.784 ( -2.181 0.000 9.888) 10.126 0.906 ( -0.490 0.000 1.853) 1.916 1.029 ( 6.166 0.000 -0.359) 6.177 1.213 ( -3.735 0.000 4.898) 6.159 1.352 ( -3.325 0.000 3.936) 5.152 1.399 ( -1.390 0.000 11.696) 11.778 1.417 ( 0.411 0.000 6.085) 6.098 1.548 ( 1.055 0.000 -1.233) 1.623 1.643 ( -1.172 0.000 0.555) 1.297 1.686 ( 0.406 0.000 -0.938) 1.023 1.731 ( -0.794 0.000 0.972) 1.255 1.799 ( -0.795 0.000 0.460) 0.918 1.965 ( -0.157 0.000 -4.221) 4.224 1.995 ( 4.504 0.000 -6.606) 7.995 2.082 ( 3.391 0.000 -6.592) 7.413 2.346 ( -2.792 0.000 3.192) 4.241 2.444 ( -0.955 0.000 -1.434) 1.723 3.443 ( -0.079 0.000 -1.132) 1.134 3.484 ( 1.087 0.000 -3.120) 3.304 3.785 ( -1.801 0.000 3.152) 3.630 4.010 ( 1.966 0.000 -4.253) 4.686 4.167 ( -1.223 0.000 1.614) 2.025 4.266 ( 1.118 0.000 -1.729) 2.059 4.911 ( -1.007 0.000 1.219) 1.581 4.967 ( -8.071 0.000 -0.408) 8.082 5.118 ( -0.581 0.000 0.475) 0.751 5.222 ( 1.175 0.000 -3.502) 3.694 5.508 ( -1.983 0.000 2.550) 3.230 5.588 ( 0.587 0.000 -0.449) 0.739 6.089 ( -2.249 0.000 2.958) 3.716 6.146 ( 1.084 0.000 1.134) 1.568 6.175 ( -0.178 0.000 0.476) 0.508 6.306 ( 7.042 0.000 -3.656) 7.935======================= Grid point 120 (54/116) =======================q-point: ( 0.12 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.460 ( 0.109 0.000 7.441) 7.441 0.506 ( -3.030 0.000 12.407) 12.771 0.792 ( -1.914 0.000 1.192) 2.255 0.876 ( 5.800 0.000 -1.308) 5.946 0.951 ( 1.189 0.000 4.186) 4.351 1.108 ( 4.061 0.000 -2.105) 4.574 1.205 ( -3.948 0.000 7.600) 8.564 1.312 ( -5.002 0.000 3.307) 5.996 1.455 ( -3.948 0.000 8.722) 9.574 1.469 ( -0.047 0.000 3.983) 3.984 1.534 ( -0.911 0.000 0.380) 0.988 1.653 ( 0.470 0.000 1.024) 1.127 1.689 ( 0.769 0.000 -0.802) 1.111 1.725 ( -1.042 0.000 1.102) 1.516 1.798 ( -0.377 0.000 1.583) 1.627 1.919 ( -0.020 0.000 -5.254) 5.254 2.002 ( 3.289 0.000 -6.864) 7.611 2.083 ( 3.979 0.000 -6.903) 7.967 2.333 ( -2.276 0.000 3.665) 4.314 2.435 ( 0.547 0.000 0.390) 0.672 3.433 ( 0.135 0.000 -0.838) 0.849 3.479 ( 1.463 0.000 -2.851) 3.205 3.784 ( -1.696 0.000 3.183) 3.606 4.003 ( 1.801 0.000 -4.233) 4.600 4.159 ( -1.206 0.000 1.542) 1.957 4.270 ( 1.032 0.000 -1.559) 1.870 4.849 ( -7.305 0.000 4.100) 8.377 4.911 ( -0.711 0.000 2.024) 2.146 5.115 ( -0.355 0.000 0.668) 0.756 5.214 ( 1.480 0.000 -3.283) 3.601 5.499 ( -1.766 0.000 2.451) 3.021 5.592 ( 0.285 0.000 -0.224) 0.363 6.075 ( -2.037 0.000 1.962) 2.828 6.169 ( -0.887 0.000 0.281) 0.930 6.173 ( 0.959 0.000 0.829) 1.268 6.352 ( 3.382 0.000 -5.109) 6.127======================= Grid point 121 (55/116) =======================q-point: ( 0.25 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.561 ( 5.109 0.000 3.452) 6.165 0.572 ( -2.088 0.000 11.142) 11.336 0.771 ( -0.251 0.000 -1.197) 1.223 0.925 ( 1.801 0.000 -3.052) 3.544 0.989 ( -0.297 0.000 2.215) 2.235 1.131 ( 0.847 0.000 -2.549) 2.686 1.206 ( -3.139 0.000 6.006) 6.777 1.255 ( -2.881 0.000 0.970) 3.040 1.426 ( -6.029 0.000 5.346) 8.058 1.477 ( -1.223 0.000 0.150) 1.233 1.517 ( -2.434 0.000 0.580) 2.502 1.667 ( 0.157 0.000 1.110) 1.121 1.695 ( 0.564 0.000 -0.315) 0.646 1.717 ( -0.976 0.000 1.155) 1.512 1.812 ( 0.101 0.000 1.691) 1.694 1.882 ( 0.592 0.000 -3.550) 3.599 1.984 ( 2.214 0.000 -7.348) 7.674 2.093 ( 3.910 0.000 -5.965) 7.132 2.335 ( -1.991 0.000 4.741) 5.142 2.464 ( 1.380 0.000 1.841) 2.301 3.434 ( 0.498 0.000 -0.396) 0.636 3.482 ( 1.854 0.000 -2.636) 3.223 3.784 ( -1.723 0.000 3.286) 3.710 3.998 ( 1.881 0.000 -3.925) 4.352 4.155 ( -0.907 0.000 1.501) 1.754 4.273 ( 0.959 0.000 -1.521) 1.798 4.789 ( -5.283 0.000 5.928) 7.941 4.922 ( -0.572 0.000 2.731) 2.790 5.118 ( -0.173 0.000 0.876) 0.893 5.213 ( 1.715 0.000 -2.915) 3.382 5.493 ( -1.508 0.000 2.522) 2.938 5.592 ( -0.183 0.000 0.009) 0.183 6.059 ( -1.066 0.000 0.688) 1.268 6.152 ( -1.313 0.000 0.329) 1.353 6.190 ( 0.591 0.000 -0.272) 0.650 6.346 ( 1.414 0.000 -4.757) 4.963======================= Grid point 122 (56/116) =======================q-point: ( 0.38 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.625 ( -2.894 0.000 9.598) 10.025 0.668 ( 5.304 0.000 -1.557) 5.528 0.758 ( 0.458 0.000 -2.678) 2.717 0.886 ( -0.743 0.000 -6.560) 6.602 0.987 ( -3.295 0.000 5.391) 6.318 1.067 ( -4.995 0.000 -2.388) 5.536 1.216 ( 0.167 0.000 2.123) 2.129 1.262 ( 2.100 0.000 0.445) 2.146 1.357 ( -6.958 0.000 4.647) 8.367 1.440 ( -1.464 0.000 -2.502) 2.899 1.461 ( -3.512 0.000 -1.151) 3.696 1.684 ( 0.941 0.000 1.066) 1.422 1.702 ( 0.265 0.000 0.168) 0.313 1.715 ( -0.227 0.000 0.699) 0.735 1.826 ( -0.197 0.000 1.401) 1.414 1.874 ( 0.984 0.000 -1.239) 1.582 1.951 ( 2.025 0.000 -7.539) 7.806 2.104 ( 2.971 0.000 -4.911) 5.740 2.345 ( -2.548 0.000 5.868) 6.397 2.504 ( 1.068 0.000 2.005) 2.272 3.439 ( 0.431 0.000 -0.265) 0.506 3.492 ( 2.053 0.000 -2.682) 3.378 3.785 ( -1.723 0.000 3.471) 3.876 3.997 ( 1.960 0.000 -3.569) 4.071 4.155 ( -0.778 0.000 1.514) 1.703 4.276 ( 0.974 0.000 -1.618) 1.889 4.771 ( -3.634 0.000 7.057) 7.937 4.937 ( -0.724 0.000 2.843) 2.933 5.124 ( -0.203 0.000 0.952) 0.973 5.219 ( 1.875 0.000 -2.633) 3.233 5.492 ( -1.353 0.000 2.668) 2.991 5.587 ( -0.455 0.000 0.060) 0.459 6.055 ( 0.444 0.000 -0.092) 0.453 6.133 ( -1.443 0.000 0.707) 1.607 6.185 ( -0.174 0.000 -1.686) 1.695 6.321 ( 0.646 0.000 -4.499) 4.545======================= Grid point 123 (57/116) =======================q-point: (-0.50 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.641 ( -4.515 0.000 7.735) 8.956 0.642 ( -2.599 0.000 -8.527) 8.914 0.774 ( 2.776 0.000 -0.426) 2.808 0.796 ( -0.972 0.000 -9.601) 9.650 0.957 ( -4.993 0.000 -1.685) 5.270 0.994 ( -4.230 0.000 9.584) 10.476 1.245 ( 0.787 0.000 1.214) 1.447 1.292 ( -4.378 0.000 3.858) 5.836 1.296 ( 0.490 0.000 0.968) 1.085 1.387 ( -3.239 0.000 -1.605) 3.615 1.398 ( -0.459 0.000 -2.510) 2.552 1.706 ( -0.192 0.000 0.425) 0.466 1.721 ( 2.378 0.000 0.576) 2.447 1.722 ( 0.878 0.000 -0.267) 0.918 1.827 ( -0.518 0.000 0.275) 0.587 1.893 ( 1.175 0.000 1.207) 1.685 1.924 ( 2.694 0.000 -6.966) 7.469 2.104 ( 2.218 0.000 -4.917) 5.394 2.351 ( -3.340 0.000 6.461) 7.274 2.533 ( 0.360 0.000 1.516) 1.558 3.442 ( 0.268 0.000 -0.342) 0.435 3.502 ( 2.027 0.000 -2.862) 3.507 3.788 ( -1.695 0.000 3.667) 4.040 3.999 ( 1.958 0.000 -3.405) 3.928 4.155 ( -0.840 0.000 1.632) 1.835 4.276 ( 0.903 0.000 -1.800) 2.014 4.794 ( -1.728 0.000 8.394) 8.570 4.946 ( -0.926 0.000 2.204) 2.390 5.128 ( -0.333 0.000 0.968) 1.023 5.228 ( 1.965 0.000 -2.550) 3.219 5.495 ( -1.270 0.000 2.874) 3.142 5.580 ( -0.302 0.000 -0.083) 0.313 6.073 ( 1.622 0.000 -0.094) 1.624 6.117 ( -1.452 0.000 1.409) 2.023 6.155 ( -0.889 0.000 -2.729) 2.870 6.286 ( 0.133 0.000 -4.708) 4.710======================= Grid point 124 (58/116) =======================q-point: (-0.38 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.492 ( -6.301 0.000 -4.965) 8.022 0.607 ( -5.710 0.000 4.044) 6.997 0.697 ( -1.249 0.000 -6.855) 6.968 0.817 ( 2.454 0.000 0.393) 2.485 0.882 ( -1.945 0.000 -1.184) 2.277 0.971 ( -9.260 0.000 9.227) 13.072 1.251 ( -3.363 0.000 7.353) 8.086 1.281 ( -1.198 0.000 0.313) 1.238 1.295 ( -1.163 0.000 1.133) 1.623 1.358 ( 3.135 0.000 -2.182) 3.820 1.382 ( -0.121 0.000 -0.416) 0.433 1.702 ( -0.501 0.000 0.189) 0.535 1.738 ( 1.122 0.000 -0.518) 1.235 1.762 ( 1.696 0.000 -0.496) 1.767 1.820 ( 0.553 0.000 -1.313) 1.425 1.921 ( 3.855 0.000 -6.211) 7.310 1.934 ( 1.333 0.000 2.971) 3.256 2.094 ( 2.275 0.000 -5.382) 5.843 2.352 ( -3.222 0.000 6.402) 7.167 2.542 ( -0.477 0.000 0.538) 0.719 3.445 ( 0.462 0.000 -0.415) 0.621 3.508 ( 1.672 0.000 -3.008) 3.442 3.792 ( -1.800 0.000 3.693) 4.109 4.002 ( 2.080 0.000 -3.468) 4.044 4.157 ( -0.768 0.000 1.857) 2.009 4.273 ( 0.751 0.000 -1.986) 2.123 4.869 ( 1.211 0.000 9.565) 9.641 4.945 ( -1.038 0.000 1.281) 1.649 5.130 ( -0.424 0.000 0.937) 1.028 5.239 ( 1.998 0.000 -2.607) 3.285 5.501 ( -1.146 0.000 3.121) 3.325 5.576 ( 0.077 0.000 -0.291) 0.301 6.104 ( 1.247 0.000 0.477) 1.335 6.110 ( -0.876 0.000 2.084) 2.261 6.111 ( -0.948 0.000 -3.141) 3.280 6.240 ( -0.642 0.000 -4.496) 4.542======================= Grid point 125 (59/116) =======================q-point: (-0.25 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.394 ( -4.456 0.000 6.264) 7.688 0.541 ( -6.292 0.000 5.303) 8.229 0.640 ( 0.134 0.000 -2.956) 2.959 0.848 ( -8.579 0.000 7.978) 11.715 0.873 ( 2.190 0.000 -1.443) 2.623 0.882 ( -1.885 0.000 3.522) 3.995 1.247 ( -1.163 0.000 0.511) 1.271 1.283 ( -3.892 0.000 10.260) 10.973 1.297 ( -0.319 0.000 2.836) 2.854 1.378 ( -1.045 0.000 1.730) 2.021 1.425 ( 6.154 0.000 -2.544) 6.659 1.695 ( -0.422 0.000 0.071) 0.428 1.745 ( 0.021 0.000 -0.150) 0.152 1.755 ( -1.514 0.000 -1.212) 1.939 1.820 ( 1.419 0.000 -3.249) 3.545 1.941 ( 4.922 0.000 -6.118) 7.852 1.982 ( 1.102 0.000 2.035) 2.314 2.087 ( 2.775 0.000 -5.784) 6.416 2.359 ( -2.297 0.000 5.467) 5.930 2.524 ( -1.388 0.000 -0.793) 1.598 3.450 ( 0.618 0.000 -0.595) 0.858 3.505 ( 1.210 0.000 -3.081) 3.310 3.792 ( -1.978 0.000 3.500) 4.020 4.007 ( 2.275 0.000 -3.695) 4.339 4.163 ( -0.582 0.000 1.968) 2.052 4.268 ( 0.778 0.000 -2.054) 2.197 4.935 ( -1.119 0.000 0.700) 1.320 5.001 ( 4.743 0.000 6.302) 7.887 5.129 ( -0.536 0.000 0.748) 0.920 5.248 ( 1.832 0.000 -2.904) 3.433 5.512 ( -1.066 0.000 3.274) 3.443 5.577 ( 0.421 0.000 -0.465) 0.627 6.077 ( 0.278 0.000 -1.849) 1.870 6.103 ( -1.779 0.000 2.884) 3.389 6.140 ( 1.461 0.000 0.713) 1.626 6.193 ( -0.852 0.000 -2.082) 2.249======================= Grid point 126 (60/116) =======================q-point: (-0.12 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.432 ( -3.455 0.000 11.981) 12.469 0.488 ( -8.153 0.000 10.524) 13.313 0.669 ( 5.540 0.000 -1.683) 5.790 0.757 ( -9.265 0.000 12.976) 15.944 0.909 ( 0.438 0.000 0.245) 0.502 0.929 ( 5.382 0.000 -0.727) 5.431 1.235 ( -1.876 0.000 1.771) 2.580 1.323 ( -2.679 0.000 11.646) 11.950 1.336 ( 0.741 0.000 4.090) 4.156 1.379 ( -1.973 0.000 4.439) 4.857 1.504 ( 5.008 0.000 -1.768) 5.311 1.690 ( -0.054 0.000 -0.382) 0.386 1.695 ( -3.465 0.000 -1.592) 3.814 1.738 ( -0.799 0.000 0.446) 0.915 1.810 ( 0.231 0.000 -1.684) 1.699 1.972 ( 5.065 0.000 -6.359) 8.130 1.994 ( -0.086 0.000 -1.261) 1.264 2.084 ( 3.125 0.000 -6.136) 6.886 2.362 ( -2.426 0.000 3.701) 4.426 2.484 ( -1.743 0.000 -1.780) 2.491 3.451 ( 0.274 0.000 -0.948) 0.987 3.495 ( 1.006 0.000 -3.149) 3.306 3.788 ( -1.975 0.000 3.255) 3.807 4.012 ( 2.242 0.000 -4.009) 4.594 4.169 ( -0.791 0.000 1.784) 1.951 4.265 ( 1.000 0.000 -1.941) 2.183 4.921 ( -1.153 0.000 0.704) 1.351 5.073 ( -0.190 0.000 -2.553) 2.560 5.125 ( -0.640 0.000 0.512) 0.820 5.239 ( 0.678 0.000 -3.772) 3.833 5.517 ( -1.693 0.000 2.794) 3.267 5.582 ( 0.614 0.000 -0.533) 0.813 6.098 ( -2.077 0.000 3.251) 3.858 6.109 ( 2.823 0.000 0.784) 2.930 6.166 ( 0.677 0.000 0.694) 0.969 6.202 ( 4.143 0.000 0.400) 4.163======================= Grid point 127 (61/116) =======================q-point: ( 0.00 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.444 ( -5.056 4.706 9.049) 11.384 0.640 ( -1.228 7.450 9.535) 12.162 0.775 ( 5.307 0.885 -0.866) 5.450 0.847 ( -2.158 8.332 5.148) 10.029 0.925 ( 0.776 1.268 3.651) 3.942 1.024 ( 3.367 0.042 2.264) 4.058 1.206 ( -0.909 1.122 2.998) 3.327 1.362 ( 0.150 -1.737 8.778) 8.950 1.366 ( -4.323 0.448 5.180) 6.762 1.433 ( -0.416 0.152 7.184) 7.197 1.523 ( 1.646 -2.173 -1.060) 2.924 1.642 ( -0.664 -1.033 -0.214) 1.247 1.704 ( 0.516 -1.628 -0.619) 1.816 1.713 ( 0.376 0.371 -0.402) 0.664 1.797 ( -0.911 0.460 -0.126) 1.028 1.924 ( -1.284 -1.736 -2.700) 3.457 2.025 ( 2.879 -1.153 -4.444) 5.419 2.081 ( 3.568 1.732 -6.461) 7.581 2.323 ( -2.438 -2.030 2.644) 4.129 2.440 ( -0.671 -0.558 -2.020) 2.201 3.458 ( -0.176 1.414 -0.853) 1.661 3.509 ( 0.995 2.430 -3.067) 4.037 3.777 ( -1.691 -0.769 2.792) 3.354 3.992 ( 1.844 -1.982 -4.120) 4.930 4.168 ( -0.965 0.273 1.452) 1.764 4.261 ( 1.090 -0.602 -1.593) 2.022 4.838 ( -4.525 -7.122 3.750) 9.234 4.886 ( -0.811 -2.412 0.715) 2.643 5.230 ( 0.156 1.538 -3.166) 3.524 5.237 ( -0.855 5.195 -3.696) 6.433 5.515 ( -2.266 0.775 2.491) 3.456 5.592 ( 0.439 0.261 -0.229) 0.560 6.115 ( -2.637 2.389 2.049) 4.106 6.157 ( 0.893 0.956 1.083) 1.698 6.183 ( 0.635 0.981 0.780) 1.405 6.302 ( 5.828 -0.211 -2.504) 6.347======================= Grid point 128 (62/116) =======================q-point: ( 0.12 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.475 ( 0.460 4.096 6.420) 7.629 0.683 ( -1.994 10.317 7.090) 12.676 0.821 ( 0.261 1.662 0.941) 1.928 0.889 ( 3.568 4.303 0.414) 5.606 0.979 ( 1.654 1.446 1.859) 2.878 1.087 ( 1.267 -1.235 2.093) 2.741 1.228 ( 0.343 2.770 2.387) 3.673 1.319 ( -6.171 1.195 5.097) 8.092 1.425 ( -1.966 -1.908 6.997) 7.515 1.473 ( -1.832 -0.652 4.887) 5.259 1.528 ( -0.381 -0.755 0.936) 1.262 1.640 ( 0.492 -1.934 -0.389) 2.034 1.702 ( 0.072 0.412 -0.295) 0.512 1.729 ( 1.291 -0.880 -0.206) 1.576 1.785 ( -0.253 -0.294 -0.352) 0.524 1.870 ( -1.756 -1.795 -2.812) 3.770 2.024 ( 1.947 -1.620 -4.733) 5.368 2.088 ( 3.614 2.151 -5.959) 7.293 2.309 ( -1.940 -1.995 2.861) 3.991 2.426 ( 0.437 -0.811 -0.275) 0.961 3.448 ( -0.087 1.356 -0.701) 1.528 3.505 ( 1.661 2.593 -2.627) 4.047 3.775 ( -1.560 -0.908 2.820) 3.348 3.984 ( 1.722 -2.007 -4.040) 4.829 4.163 ( -0.965 0.462 1.325) 1.703 4.265 ( 0.990 -0.567 -1.470) 1.861 4.793 ( -4.718 -3.899 4.445) 7.564 4.884 ( -0.497 -2.588 1.319) 2.947 5.184 ( -1.261 4.944 -1.211) 5.244 5.225 ( 1.132 1.091 -2.731) 3.151 5.501 ( -1.967 0.370 2.477) 3.184 5.597 ( 0.158 0.261 0.072) 0.313 6.090 ( -2.311 1.541 1.680) 3.246 6.160 ( -1.013 0.048 0.594) 1.176 6.210 ( 1.429 2.776 0.616) 3.182 6.350 ( 3.423 -0.042 -4.051) 5.304======================= Grid point 129 (63/116) =======================q-point: ( 0.25 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.558 ( 3.455 2.241 3.253) 5.248 0.709 ( -0.922 7.430 4.275) 8.622 0.832 ( 0.150 5.146 1.461) 5.351 0.932 ( 1.723 2.517 -2.452) 3.913 1.001 ( 0.373 0.532 -0.236) 0.691 1.094 ( -2.022 -2.558 0.407) 3.286 1.260 ( -3.093 4.611 4.591) 7.204 1.260 ( -0.632 1.467 1.093) 1.935 1.409 ( -5.035 -1.654 3.407) 6.300 1.466 ( -1.999 -0.877 1.448) 2.620 1.521 ( -2.112 -0.263 0.822) 2.281 1.649 ( 0.633 -1.621 0.475) 1.804 1.701 ( -0.131 -0.228 -0.022) 0.264 1.740 ( 0.236 0.578 -0.476) 0.785 1.784 ( 0.749 -1.832 -0.648) 2.082 1.829 ( -0.593 -1.891 -0.912) 2.182 2.009 ( 1.420 -1.172 -5.011) 5.339 2.093 ( 2.922 1.517 -5.110) 6.079 2.309 ( -1.745 -2.308 3.860) 4.824 2.448 ( 1.249 -1.420 1.398) 2.351 3.444 ( 0.164 1.164 -0.318) 1.218 3.516 ( 2.165 3.041 -2.353) 4.413 3.774 ( -1.555 -0.969 2.952) 3.474 3.980 ( 1.845 -1.909 -3.707) 4.559 4.160 ( -0.748 0.564 1.281) 1.587 4.268 ( 0.905 -0.568 -1.453) 1.804 4.762 ( -3.976 -2.064 5.167) 6.838 4.893 ( -0.239 -2.811 1.839) 3.367 5.166 ( -0.402 4.075 0.089) 4.095 5.223 ( 1.298 0.920 -2.259) 2.763 5.493 ( -1.615 0.135 2.548) 3.020 5.597 ( -0.326 0.307 0.353) 0.570 6.068 ( -1.357 0.999 0.636) 1.801 6.141 ( -1.564 -0.391 0.289) 1.638 6.233 ( 0.968 3.553 -0.386) 3.702 6.356 ( 1.784 1.003 -4.203) 4.675======================= Grid point 130 (64/116) =======================q-point: ( 0.38 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.632 ( 2.631 0.514 0.755) 2.785 0.721 ( -0.471 3.702 0.040) 3.732 0.850 ( 0.479 6.486 0.395) 6.516 0.898 ( -0.882 2.475 -5.721) 6.296 1.003 ( -1.725 2.171 3.440) 4.419 1.030 ( -3.455 -2.880 -2.359) 5.079 1.223 ( -3.800 1.561 5.312) 6.715 1.304 ( 1.286 2.476 0.083) 2.791 1.339 ( -4.395 -0.818 1.262) 4.646 1.437 ( -1.805 0.158 -0.057) 1.812 1.471 ( -3.125 0.271 -1.172) 3.349 1.666 ( 0.688 -1.910 0.319) 2.055 1.699 ( -0.035 -0.755 0.106) 0.763 1.735 ( 0.040 1.022 -0.388) 1.094 1.795 ( 1.228 -2.124 -0.855) 2.598 1.831 ( 0.409 -1.513 1.024) 1.872 1.983 ( 1.055 -0.530 -5.276) 5.407 2.096 ( 2.270 0.578 -4.115) 4.735 2.317 ( -2.099 -2.568 5.154) 6.129 2.483 ( 0.959 -1.909 1.720) 2.743 3.446 ( 0.221 1.008 -0.075) 1.034 3.532 ( 2.155 3.393 -2.525) 4.747 3.775 ( -1.565 -0.972 3.166) 3.663 3.980 ( 1.934 -1.762 -3.370) 4.267 4.160 ( -0.652 0.597 1.292) 1.565 4.270 ( 0.896 -0.610 -1.555) 1.896 4.752 ( -3.033 -1.546 5.868) 6.784 4.906 ( -0.247 -2.934 1.922) 3.516 5.168 ( 0.083 3.836 0.643) 3.891 5.228 ( 1.465 0.825 -1.951) 2.575 5.491 ( -1.383 0.057 2.731) 3.062 5.592 ( -0.633 0.359 0.411) 0.836 6.059 ( 0.020 0.403 -0.104) 0.416 6.115 ( -1.635 -0.896 0.182) 1.873 6.233 ( 0.036 3.952 -1.473) 4.217 6.340 ( 0.961 1.862 -4.251) 4.739======================= Grid point 131 (65/116) =======================q-point: (-0.50 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.619 ( -1.901 -1.572 -7.099) 7.516 0.713 ( -1.648 5.439 3.756) 6.812 0.802 ( -0.809 0.962 -9.466) 9.549 0.855 ( -1.100 5.420 0.017) 5.530 0.938 ( -3.947 -1.173 -0.928) 4.221 1.038 ( -0.890 5.208 6.338) 8.252 1.217 ( -2.411 -1.703 3.487) 4.569 1.260 ( -3.971 -1.998 2.942) 5.331 1.323 ( -0.745 1.290 -0.932) 1.757 1.391 ( -2.750 -0.029 -2.013) 3.408 1.436 ( 0.175 3.739 0.442) 3.769 1.671 ( 0.291 -3.637 -1.129) 3.819 1.707 ( 0.771 -0.654 0.085) 1.015 1.742 ( 1.217 0.971 -0.680) 1.699 1.810 ( 1.042 -1.098 -0.117) 1.518 1.855 ( 0.960 -1.416 1.639) 2.369 1.958 ( 1.493 -0.359 -4.430) 4.688 2.094 ( 1.874 0.155 -4.196) 4.598 2.327 ( -2.660 -2.267 5.875) 6.835 2.508 ( 0.357 -2.278 1.230) 2.614 3.449 ( 0.220 1.041 0.025) 1.065 3.542 ( 1.897 3.413 -2.893) 4.859 3.778 ( -1.548 -0.960 3.406) 3.862 3.983 ( 1.922 -1.654 -3.254) 4.125 4.160 ( -0.735 0.595 1.377) 1.671 4.270 ( 0.804 -0.687 -1.717) 2.017 4.766 ( -1.925 -2.178 6.639) 7.247 4.916 ( -0.422 -2.886 1.452) 3.258 5.181 ( 0.653 4.365 0.935) 4.511 5.237 ( 1.642 0.808 -1.939) 2.666 5.495 ( -1.231 0.166 3.027) 3.272 5.585 ( -0.522 0.353 0.235) 0.672 6.067 ( 1.011 -0.365 -0.109) 1.081 6.091 ( -1.261 -1.278 0.124) 1.800 6.210 ( -0.800 4.213 -1.769) 4.639 6.312 ( 0.287 2.326 -4.481) 5.056======================= Grid point 132 (66/116) =======================q-point: (-0.38 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.489 ( -5.453 0.351 -4.611) 7.150 0.673 ( -1.144 2.929 -7.304) 7.952 0.727 ( -4.674 4.633 3.256) 7.342 0.841 ( 0.122 1.713 -0.361) 1.755 0.890 ( -0.579 0.772 -0.747) 1.220 1.046 ( -6.266 7.998 7.053) 12.368 1.193 ( -3.965 -4.242 6.004) 8.353 1.263 ( 1.235 -2.119 0.730) 2.559 1.291 ( -2.002 0.283 0.001) 2.022 1.347 ( -0.382 -0.342 -0.631) 0.813 1.449 ( 0.228 4.589 1.021) 4.707 1.664 ( 0.527 -4.165 -1.542) 4.473 1.719 ( 0.521 -0.195 -0.223) 0.600 1.751 ( 0.898 -1.103 -1.868) 2.348 1.825 ( 0.499 0.226 0.350) 0.650 1.895 ( 2.566 -1.177 0.373) 2.848 1.960 ( 2.088 -0.524 -1.969) 2.917 2.087 ( 2.293 0.114 -4.964) 5.469 2.334 ( -2.627 -1.773 5.744) 6.560 2.516 ( -0.164 -2.335 0.254) 2.354 3.455 ( 0.399 1.213 0.047) 1.278 3.544 ( 1.526 3.209 -3.153) 4.751 3.783 ( -1.618 -0.885 3.476) 3.935 3.987 ( 2.015 -1.634 -3.371) 4.254 4.161 ( -0.730 0.512 1.548) 1.787 4.266 ( 0.653 -0.749 -1.856) 2.105 4.805 ( -0.942 -4.368 7.038) 8.336 4.917 ( -0.621 -2.723 0.767) 2.896 5.209 ( 1.817 5.175 0.593) 5.517 5.249 ( 1.946 1.145 -1.899) 2.950 5.505 ( -1.017 0.508 3.394) 3.579 5.580 ( -0.133 0.285 0.012) 0.315 6.070 ( -0.622 -1.216 -0.099) 1.369 6.094 ( 1.354 -0.760 0.307) 1.583 6.181 ( -0.988 4.290 -0.905) 4.494 6.269 ( -0.599 2.583 -4.194) 4.962======================= Grid point 133 (67/116) =======================q-point: (-0.25 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.405 ( -3.775 1.951 5.808) 7.197 0.608 ( -0.852 3.771 -2.515) 4.612 0.668 ( -4.926 3.757 3.555) 7.143 0.856 ( 1.487 -0.446 0.334) 1.588 0.900 ( 1.533 1.309 0.123) 2.019 0.968 ( -9.258 10.619 7.367) 15.898 1.196 ( -2.670 -4.182 6.439) 8.129 1.260 ( -0.901 0.708 0.620) 1.302 1.306 ( 0.375 -1.922 4.390) 4.807 1.361 ( 1.128 -0.752 1.020) 1.697 1.463 ( 0.648 2.863 0.878) 3.064 1.663 ( 0.623 -4.239 -0.938) 4.386 1.716 ( -0.587 0.911 -0.196) 1.102 1.740 ( 0.398 -2.592 -2.949) 3.946 1.830 ( -0.386 1.083 0.194) 1.166 1.938 ( 2.716 -1.379 -1.463) 3.379 1.985 ( 2.168 -0.783 -1.203) 2.600 2.085 ( 3.113 0.296 -5.846) 6.629 2.341 ( -2.132 -1.781 4.684) 5.446 2.505 ( -0.683 -1.841 -1.070) 2.236 3.463 ( 0.476 1.351 -0.141) 1.440 3.537 ( 1.069 2.951 -3.276) 4.536 3.784 ( -1.777 -0.743 3.274) 3.798 3.991 ( 2.176 -1.720 -3.643) 4.578 4.164 ( -0.616 0.311 1.682) 1.818 4.260 ( 0.709 -0.743 -1.872) 2.135 4.850 ( -1.003 -7.732 5.990) 9.832 4.910 ( -0.811 -2.565 0.339) 2.711 5.237 ( 1.819 2.557 -2.105) 3.779 5.279 ( 3.276 3.854 -1.713) 5.341 5.521 ( -0.806 1.027 3.421) 3.662 5.581 ( 0.306 0.286 -0.094) 0.429 6.071 ( 1.214 0.105 0.039) 1.219 6.123 ( 1.332 -0.263 0.947) 1.655 6.164 ( -0.804 3.802 0.259) 3.895 6.222 ( -1.177 2.519 -2.049) 3.454======================= Grid point 134 (68/116) =======================q-point: (-0.12 0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.445 ( -3.392 3.211 10.934) 11.889 0.580 ( -4.123 4.974 8.766) 10.889 0.684 ( 4.787 1.822 -0.290) 5.130 0.872 ( -5.729 8.418 5.327) 11.492 0.893 ( 0.208 0.989 1.823) 2.085 0.951 ( 1.946 2.612 2.648) 4.198 1.204 ( -1.799 -1.352 3.342) 4.029 1.284 ( -0.181 -1.176 7.020) 7.120 1.358 ( 0.249 -1.539 5.115) 5.347 1.386 ( -1.199 1.271 4.760) 5.071 1.491 ( 2.374 -0.787 -0.477) 2.546 1.660 ( -0.629 -2.841 -0.296) 2.925 1.703 ( 0.041 -1.116 -0.944) 1.462 1.720 ( 0.002 -0.022 -1.575) 1.575 1.816 ( -1.108 1.011 -0.059) 1.501 1.953 ( 0.291 -1.939 -1.416) 2.419 2.008 ( 3.224 -0.538 -3.691) 4.931 2.083 ( 3.210 0.836 -6.570) 7.360 2.339 ( -2.363 -2.103 3.213) 4.509 2.475 ( -0.986 -1.037 -2.179) 2.607 3.465 ( 0.145 1.398 -0.560) 1.513 3.523 ( 0.790 2.639 -3.283) 4.285 3.781 ( -1.829 -0.676 2.961) 3.545 3.994 ( 2.119 -1.862 -3.942) 4.847 4.168 ( -0.715 0.168 1.623) 1.781 4.258 ( 0.971 -0.673 -1.753) 2.114 4.866 ( -2.675 -9.173 4.206) 10.440 4.897 ( -0.944 -2.447 0.328) 2.643 5.239 ( 1.310 1.265 -2.975) 3.488 5.291 ( 0.904 4.455 -4.933) 6.708 5.528 ( -1.697 1.111 2.559) 3.266 5.587 ( 0.458 0.337 -0.292) 0.640 6.116 ( 2.748 0.791 0.714) 2.948 6.143 ( -2.033 3.763 1.116) 4.420 6.162 ( 1.535 -0.152 0.811) 1.743 6.221 ( 2.796 1.661 0.492) 3.289======================= Grid point 135 (69/116) =======================q-point: ( 0.00 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.573 ( -3.341 7.835 5.709) 10.254 0.719 ( 2.233 3.471 5.606) 6.961 0.807 ( 1.952 1.927 0.663) 2.823 0.914 ( 2.304 -0.158 4.127) 4.729 0.964 ( 2.273 0.409 -0.981) 2.509 1.113 ( -0.017 4.779 2.068) 5.207 1.226 ( 1.328 0.445 3.805) 4.054 1.334 ( -1.250 0.103 7.035) 7.146 1.385 ( 1.596 -0.390 1.890) 2.505 1.444 ( -0.382 -0.289 4.827) 4.850 1.484 ( -1.075 0.333 1.457) 1.841 1.600 ( -2.394 0.038 1.996) 3.117 1.683 ( 1.290 -1.201 -0.405) 1.809 1.707 ( -0.454 -0.667 0.082) 0.811 1.805 ( -1.160 0.073 -0.903) 1.472 1.903 ( -2.231 -0.513 0.862) 2.446 1.973 ( 1.920 -2.805 -2.834) 4.426 2.115 ( 1.259 -0.071 -1.832) 2.224 2.294 ( -0.320 -0.041 -0.470) 0.570 2.423 ( 0.196 -1.137 -2.787) 3.016 3.491 ( -0.601 2.027 -0.198) 2.123 3.560 ( 0.605 2.272 -2.346) 3.321 3.762 ( -1.047 -0.448 1.159) 1.625 3.936 ( 1.557 -3.802 -3.807) 5.601 4.181 ( -0.505 1.060 0.801) 1.422 4.245 ( 0.848 -1.013 -1.116) 1.729 4.748 ( -2.270 -2.503 3.276) 4.706 4.829 ( -0.522 -3.320 0.056) 3.361 5.251 ( 0.729 1.140 -2.474) 2.819 5.295 ( -0.211 0.900 -3.736) 3.849 5.536 ( -2.321 1.278 2.179) 3.430 5.592 ( 0.000 -0.358 0.432) 0.561 6.160 ( -2.055 1.920 0.953) 2.969 6.175 ( -0.016 0.878 0.898) 1.256 6.220 ( 1.948 2.764 1.304) 3.624 6.303 ( 3.803 0.153 -0.721) 3.874======================= Grid point 136 (70/116) =======================q-point: ( 0.12 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.582 ( -0.209 6.412 3.244) 7.189 0.788 ( 0.397 2.243 2.816) 3.622 0.833 ( 0.786 0.416 2.255) 2.424 0.978 ( 2.390 -1.068 -0.913) 2.772 1.000 ( 2.609 3.562 0.185) 4.419 1.123 ( -0.732 3.776 0.560) 3.887 1.277 ( 1.853 1.325 1.028) 2.499 1.356 ( -4.019 1.278 7.524) 8.625 1.410 ( -0.746 0.394 2.035) 2.203 1.469 ( -2.392 0.425 5.695) 6.191 1.491 ( 0.806 -2.699 -0.620) 2.885 1.584 ( -1.698 -1.085 3.351) 3.910 1.704 ( 0.063 -0.283 -0.120) 0.314 1.706 ( 1.827 -0.820 -1.025) 2.250 1.777 ( -0.839 -0.543 -1.214) 1.572 1.864 ( -2.962 0.608 0.805) 3.129 1.973 ( 1.097 -2.542 -2.828) 3.957 2.118 ( 0.400 -0.708 -0.785) 1.131 2.287 ( 0.213 0.592 -1.025) 1.202 2.410 ( 0.669 -0.836 -1.406) 1.768 3.480 ( -0.457 2.005 -0.071) 2.058 3.558 ( 1.401 2.228 -1.791) 3.183 3.756 ( -0.881 -0.626 1.256) 1.657 3.928 ( 1.581 -3.826 -3.640) 5.513 4.178 ( -0.553 1.117 0.764) 1.461 4.249 ( 0.788 -1.061 -1.083) 1.709 4.739 ( -2.223 -1.635 3.263) 4.274 4.825 ( -0.195 -3.361 0.358) 3.386 5.242 ( 0.616 1.323 -1.984) 2.463 5.259 ( -0.358 1.937 -2.570) 3.238 5.517 ( -2.231 1.327 2.407) 3.540 5.595 ( -0.229 -0.512 0.735) 0.925 6.127 ( -2.578 2.167 1.120) 3.549 6.168 ( -1.494 0.596 0.722) 1.763 6.271 ( 2.543 3.322 0.502) 4.214 6.353 ( 3.429 0.247 -2.178) 4.070======================= Grid point 137 (71/116) =======================q-point: ( 0.25 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( 1.578 3.478 0.611) 3.867 0.790 ( -0.685 0.901 -0.050) 1.133 0.879 ( 1.060 1.326 2.931) 3.387 0.992 ( 0.700 -0.502 -2.091) 2.261 1.025 ( 1.148 3.055 -1.920) 3.787 1.093 ( -1.929 2.747 -1.160) 3.552 1.305 ( -0.504 2.246 1.955) 3.019 1.342 ( -3.822 1.486 3.741) 5.551 1.388 ( -1.435 0.165 -1.134) 1.836 1.460 ( -2.876 0.591 3.386) 4.482 1.495 ( -1.207 -2.096 1.280) 2.737 1.601 ( -0.196 -1.324 2.993) 3.279 1.698 ( -0.664 -0.644 -0.291) 0.970 1.723 ( 1.058 -1.134 -0.480) 1.624 1.763 ( 0.778 -0.731 -1.636) 1.954 1.831 ( -1.859 1.617 1.507) 2.888 1.959 ( 0.371 -2.525 -2.887) 3.853 2.116 ( 0.001 -1.068 -0.280) 1.105 2.282 ( 0.025 0.696 -0.482) 0.847 2.421 ( 1.156 -1.280 0.220) 1.739 3.476 ( -0.203 2.111 0.344) 2.149 3.573 ( 1.902 2.117 -1.422) 3.182 3.754 ( -0.741 -0.601 1.451) 1.737 3.926 ( 1.817 -3.650 -3.239) 5.207 4.177 ( -0.428 1.163 0.766) 1.457 4.252 ( 0.719 -1.086 -1.131) 1.725 4.732 ( -2.097 -0.892 3.384) 4.080 4.829 ( 0.163 -3.514 0.662) 3.579 5.235 ( 0.227 2.486 -1.118) 2.735 5.243 ( 0.628 1.131 -1.608) 2.063 5.505 ( -1.834 1.238 2.638) 3.443 5.596 ( -0.641 -0.585 1.035) 1.351 6.096 ( -1.902 1.748 0.407) 2.615 6.142 ( -2.022 0.259 0.236) 2.052 6.307 ( 1.779 3.906 -0.814) 4.369 6.379 ( 2.397 1.228 -3.081) 4.092======================= Grid point 138 (72/116) =======================q-point: ( 0.38 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( 1.438 0.724 -2.338) 2.839 0.780 ( 0.376 0.726 -1.129) 1.394 0.904 ( 0.478 2.255 -1.693) 2.861 0.951 ( -3.387 1.515 -0.507) 3.745 1.003 ( -1.951 0.608 -2.279) 3.061 1.078 ( 2.516 3.075 -1.548) 4.265 1.275 ( -4.839 -1.461 -1.012) 5.155 1.288 ( -4.555 2.805 5.205) 7.464 1.375 ( -0.395 1.143 -0.988) 1.561 1.437 ( -2.104 -1.337 -0.891) 2.647 1.480 ( -0.526 1.335 1.944) 2.416 1.619 ( -0.798 -0.574 2.402) 2.595 1.688 ( -0.285 -1.114 0.270) 1.182 1.738 ( 1.125 -0.959 -0.293) 1.507 1.768 ( 1.303 -0.490 -1.166) 1.816 1.827 ( -0.594 1.325 1.972) 2.449 1.935 ( 0.026 -2.686 -3.060) 4.072 2.115 ( 0.224 -0.690 -0.437) 0.847 2.281 ( -0.436 0.073 1.088) 1.175 2.445 ( 0.883 -1.981 0.693) 2.277 3.478 ( -0.140 2.236 0.655) 2.334 3.592 ( 1.718 1.992 -1.546) 3.052 3.756 ( -0.677 -0.403 1.648) 1.827 3.930 ( 1.913 -3.407 -2.935) 4.887 4.177 ( -0.360 1.177 0.773) 1.453 4.253 ( 0.673 -1.108 -1.243) 1.796 4.729 ( -1.842 -0.570 3.629) 4.109 4.840 ( 0.276 -3.693 0.732) 3.775 5.235 ( 0.644 2.637 -0.399) 2.743 5.245 ( 1.034 0.930 -1.161) 1.811 5.502 ( -1.462 1.211 2.939) 3.499 5.592 ( -0.908 -0.497 1.131) 1.533 6.073 ( -0.783 1.036 -0.257) 1.324 6.107 ( -1.937 -0.089 -0.150) 1.945 6.315 ( 0.577 4.232 -1.961) 4.699 6.380 ( 1.352 1.968 -3.722) 4.422======================= Grid point 139 (73/116) =======================q-point: (-0.50 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.608 ( -0.868 1.100 -4.976) 5.170 0.779 ( 0.990 0.781 -3.753) 3.960 0.847 ( -1.429 3.468 -4.507) 5.864 0.913 ( -3.149 2.202 2.964) 4.853 0.942 ( -2.381 1.606 -1.886) 3.436 1.125 ( 2.800 0.069 -0.656) 2.877 1.187 ( -3.623 -0.687 -0.404) 3.710 1.255 ( -3.785 0.881 2.987) 4.902 1.344 ( -2.342 0.018 -0.615) 2.421 1.378 ( -2.425 -0.722 -0.550) 2.589 1.514 ( 0.995 3.275 2.309) 4.129 1.617 ( -1.282 0.561 1.461) 2.023 1.693 ( 0.368 -1.158 0.590) 1.351 1.750 ( 0.548 -1.185 -0.823) 1.543 1.786 ( 1.908 -0.770 -0.983) 2.281 1.842 ( -0.051 0.557 2.726) 2.783 1.913 ( 0.704 -2.537 -2.521) 3.645 2.113 ( 0.443 0.079 -1.396) 1.467 2.287 ( -0.801 -0.740 2.600) 2.820 2.461 ( 0.506 -2.526 0.201) 2.584 3.482 ( -0.110 2.311 0.827) 2.458 3.602 ( 1.282 1.902 -1.915) 2.988 3.761 ( -0.642 -0.231 1.861) 1.982 3.936 ( 1.833 -3.251 -2.917) 4.737 4.178 ( -0.435 1.185 0.799) 1.494 4.252 ( 0.549 -1.134 -1.356) 1.851 4.735 ( -1.515 -0.817 3.879) 4.244 4.850 ( 0.141 -3.788 0.509) 3.825 5.248 ( 1.126 1.837 -0.529) 2.218 5.257 ( 1.549 1.533 -0.745) 2.303 5.508 ( -1.112 1.321 3.323) 3.745 5.586 ( -0.852 -0.310 0.975) 1.331 6.065 ( 0.116 0.205 -0.288) 0.371 6.078 ( -0.986 -0.216 -0.253) 1.040 6.295 ( -0.497 4.315 -2.220) 4.878 6.358 ( 0.260 2.197 -4.038) 4.604======================= Grid point 140 (74/116) =======================q-point: (-0.38 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.533 ( -2.926 4.620 -2.869) 6.176 0.717 ( 0.060 2.799 -8.443) 8.895 0.819 ( -3.235 3.458 3.059) 5.637 0.875 ( -3.422 2.412 1.364) 4.404 0.909 ( 0.899 0.949 -1.910) 2.314 1.103 ( -4.446 -4.111 3.683) 7.087 1.197 ( 2.397 3.530 -2.527) 4.959 1.219 ( -1.326 -2.263 2.050) 3.329 1.288 ( -1.661 -2.137 -1.890) 3.302 1.367 ( -1.244 2.880 3.203) 4.483 1.534 ( -1.777 3.864 3.189) 5.316 1.609 ( -0.286 0.876 0.162) 0.936 1.707 ( 0.402 -1.151 0.744) 1.428 1.738 ( -0.651 -1.398 -1.349) 2.049 1.813 ( 2.076 -1.409 -0.877) 2.658 1.874 ( 0.846 -0.278 2.557) 2.707 1.916 ( 1.435 -2.344 -1.190) 2.995 2.106 ( 0.929 0.523 -2.442) 2.665 2.298 ( -1.007 -1.105 3.035) 3.383 2.467 ( 0.515 -2.756 -0.813) 2.919 3.490 ( 0.048 2.341 0.895) 2.507 3.601 ( 0.919 1.922 -2.241) 3.092 3.767 ( -0.671 -0.159 1.952) 2.070 3.940 ( 1.813 -3.250 -3.121) 4.857 4.177 ( -0.457 1.178 0.857) 1.527 4.247 ( 0.417 -1.111 -1.397) 1.833 4.746 ( -1.411 -1.609 3.955) 4.497 4.853 ( -0.120 -3.734 0.171) 3.740 5.259 ( 1.245 1.154 -1.456) 2.236 5.286 ( 2.408 1.466 -0.661) 2.896 5.524 ( -0.700 1.454 3.588) 3.935 5.582 ( -0.523 -0.160 0.742) 0.922 6.061 ( 0.095 0.165 -0.010) 0.191 6.083 ( 1.261 -0.348 0.148) 1.317 6.264 ( -0.992 4.106 -1.422) 4.457 6.319 ( -0.802 2.229 -3.570) 4.284======================= Grid point 141 (75/116) =======================q-point: (-0.25 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.493 ( -1.744 7.347 4.546) 8.814 0.672 ( 2.270 4.053 -4.856) 6.720 0.761 ( -6.870 5.152 4.912) 9.893 0.851 ( -0.719 0.232 1.178) 1.400 0.918 ( 1.427 0.304 -1.188) 1.881 1.080 ( -2.598 -4.001 4.837) 6.793 1.176 ( -1.925 2.990 1.719) 3.950 1.263 ( 2.864 -0.999 -0.128) 3.036 1.273 ( 1.037 -1.739 0.244) 2.039 1.376 ( -1.153 3.336 3.524) 4.988 1.521 ( -2.976 2.752 3.640) 5.448 1.609 ( 0.079 1.217 0.097) 1.223 1.709 ( -1.322 -1.890 -0.660) 2.399 1.717 ( -0.010 -0.639 0.322) 0.715 1.833 ( 1.074 -0.913 -1.044) 1.754 1.908 ( 0.357 -1.142 2.079) 2.399 1.935 ( 2.022 -2.638 -1.248) 3.550 2.104 ( 1.685 0.449 -2.931) 3.410 2.305 ( -0.974 -1.141 2.235) 2.692 2.463 ( 0.495 -2.530 -2.020) 3.275 3.498 ( 0.038 2.288 0.682) 2.388 3.592 ( 0.538 2.066 -2.498) 3.286 3.771 ( -0.852 -0.148 1.740) 1.943 3.942 ( 1.866 -3.390 -3.413) 5.160 4.178 ( -0.360 1.123 0.901) 1.484 4.242 ( 0.493 -1.028 -1.330) 1.752 4.755 ( -1.690 -2.541 3.770) 4.851 4.849 ( -0.399 -3.576 -0.058) 3.598 5.264 ( 1.150 1.097 -2.125) 2.654 5.318 ( 2.393 0.169 -2.038) 3.147 5.545 ( -0.639 1.218 3.030) 3.328 5.583 ( -0.096 -0.127 0.689) 0.707 6.081 ( 2.078 0.824 0.384) 2.268 6.116 ( 2.022 -0.313 0.753) 2.181 6.241 ( -0.842 3.644 -0.251) 3.749 6.271 ( -1.606 2.322 -1.866) 3.385======================= Grid point 142 (76/116) =======================q-point: (-0.12 0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.550 ( -0.547 7.365 9.133) 11.745 0.670 ( -2.293 5.256 2.711) 6.343 0.743 ( 2.700 4.267 1.812) 5.365 0.863 ( -0.026 -0.939 2.884) 3.033 0.936 ( 1.620 -0.191 -0.448) 1.692 1.094 ( -0.753 0.152 3.650) 3.730 1.179 ( -0.572 1.910 4.099) 4.558 1.294 ( 0.193 0.630 3.311) 3.376 1.327 ( 3.123 -1.353 1.135) 3.587 1.401 ( 0.537 0.718 3.354) 3.472 1.502 ( -3.224 2.148 3.798) 5.425 1.612 ( -0.327 1.076 0.613) 1.281 1.683 ( -0.913 -2.019 -0.346) 2.243 1.715 ( -0.645 -0.735 0.500) 1.098 1.829 ( -0.483 -0.055 -0.987) 1.101 1.920 ( -0.983 -1.164 1.627) 2.229 1.958 ( 2.480 -2.904 -2.441) 4.533 2.109 ( 1.848 0.225 -2.733) 3.307 2.303 ( -0.806 -0.775 0.782) 1.364 2.446 ( 0.240 -1.896 -2.897) 3.471 3.500 ( -0.328 2.158 0.177) 2.190 3.576 ( 0.291 2.215 -2.605) 3.432 3.769 ( -1.059 -0.241 1.353) 1.735 3.941 ( 1.770 -3.609 -3.680) 5.450 4.180 ( -0.359 1.059 0.874) 1.420 4.241 ( 0.730 -0.980 -1.209) 1.719 4.755 ( -2.091 -2.939 3.464) 5.001 4.839 ( -0.579 -3.409 -0.093) 3.460 5.260 ( 0.916 1.094 -2.528) 2.903 5.323 ( 1.093 -0.236 -3.582) 3.752 5.551 ( -1.485 1.020 2.179) 2.828 5.588 ( -0.036 -0.232 0.466) 0.522 6.134 ( 3.036 1.008 0.692) 3.273 6.160 ( 1.801 0.035 0.862) 1.997 6.217 ( -1.907 3.413 0.033) 3.910 6.256 ( 0.990 1.746 0.644) 2.108======================= Grid point 143 (77/116) =======================q-point: ( 0.00 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( -2.657 6.392 3.143) 7.603 0.785 ( 0.294 0.698 1.492) 1.673 0.835 ( 0.546 2.736 0.928) 2.940 0.900 ( 2.939 -1.998 0.431) 3.580 0.982 ( 3.483 2.309 3.331) 5.344 1.062 ( 2.524 -5.701 4.706) 7.811 1.265 ( 2.725 2.406 -0.073) 3.635 1.323 ( 3.408 -3.271 -0.387) 4.740 1.375 ( 1.447 1.847 1.506) 2.788 1.414 ( -0.665 -0.747 3.116) 3.273 1.503 ( -2.616 0.226 3.323) 4.235 1.558 ( -3.635 -4.846 3.133) 6.820 1.718 ( -1.171 2.288 1.643) 3.050 1.750 ( -1.498 1.512 2.088) 2.981 1.823 ( 0.076 5.681 -0.639) 5.717 1.918 ( -0.720 -1.141 0.951) 1.651 1.931 ( -0.744 1.778 0.937) 2.143 2.047 ( -2.189 -6.621 3.670) 7.880 2.333 ( 1.989 3.367 -3.872) 5.504 2.392 ( 1.400 -2.360 -3.635) 4.555 3.534 ( -0.952 2.354 0.363) 2.565 3.572 ( -0.589 -1.142 -0.181) 1.297 3.781 ( 0.455 2.771 -2.026) 3.462 3.854 ( 1.224 -4.427 -3.434) 5.735 4.203 ( -0.099 1.190 0.160) 1.205 4.225 ( 0.377 -1.081 -0.455) 1.232 4.734 ( -0.955 0.791 1.391) 1.863 4.769 ( -0.472 -2.744 0.190) 2.791 5.273 ( 0.662 1.144 -2.417) 2.755 5.292 ( 0.471 -0.796 -2.858) 3.003 5.559 ( -1.625 1.119 1.823) 2.686 5.579 ( -0.734 -0.916 1.227) 1.698 6.185 ( -0.574 0.698 0.876) 1.259 6.188 ( -0.202 0.342 0.915) 0.998 6.272 ( 1.846 2.300 1.089) 3.144 6.300 ( 2.427 -0.677 0.487) 2.567======================= Grid point 144 (78/116) =======================q-point: ( 0.12 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( -1.396 5.507 1.328) 5.835 0.780 ( -1.469 -2.792 0.843) 3.265 0.874 ( 2.234 3.821 1.184) 4.582 0.943 ( 2.541 -2.807 -1.127) 3.950 1.062 ( 2.654 3.311 1.358) 4.456 1.124 ( 1.168 -2.882 0.904) 3.239 1.300 ( 2.030 1.948 -1.063) 3.008 1.358 ( 2.365 -3.954 -3.702) 5.910 1.398 ( -1.725 3.369 4.158) 5.622 1.441 ( 0.276 -0.831 3.386) 3.497 1.492 ( -2.883 -0.368 3.588) 4.618 1.533 ( -2.704 -5.037 4.108) 7.040 1.712 ( -1.119 0.916 1.516) 2.095 1.730 ( -2.611 -0.244 1.609) 3.077 1.824 ( 0.446 7.361 -0.364) 7.384 1.902 ( -2.669 2.636 2.710) 4.628 1.931 ( 0.697 -0.979 -1.454) 1.886 2.041 ( -2.187 -6.801 3.351) 7.891 2.333 ( 1.883 3.338 -3.518) 5.202 2.386 ( 1.379 -1.949 -2.689) 3.596 3.523 ( -0.644 2.490 0.582) 2.637 3.566 ( -0.058 -1.443 0.240) 1.463 3.774 ( 0.750 2.756 -1.774) 3.363 3.847 ( 1.439 -4.414 -3.153) 5.612 4.202 ( -0.149 1.314 0.173) 1.334 4.227 ( 0.348 -1.239 -0.454) 1.365 4.732 ( -0.786 0.823 1.450) 1.843 4.766 ( -0.201 -2.623 0.333) 2.651 5.263 ( 0.577 0.924 -2.008) 2.284 5.275 ( 0.301 -0.129 -2.366) 2.389 5.547 ( -1.764 1.673 2.034) 3.170 5.577 ( -0.919 -1.365 1.453) 2.195 6.163 ( -2.320 1.360 0.796) 2.805 6.176 ( -1.867 -0.003 0.748) 2.011 6.326 ( 3.160 2.258 0.103) 3.885 6.352 ( 3.364 -0.562 -0.737) 3.490======================= Grid point 145 (79/116) =======================q-point: ( 0.25 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.688 ( -0.675 4.079 -0.140) 4.137 0.760 ( -1.175 -3.177 -0.063) 3.388 0.921 ( 2.121 2.955 0.969) 3.764 0.971 ( 2.133 -1.842 -1.583) 3.233 1.081 ( -0.503 2.658 -1.481) 3.084 1.116 ( -1.085 -0.788 -1.918) 2.340 1.316 ( 0.519 0.455 -1.765) 1.895 1.348 ( 1.812 -2.674 -4.460) 5.506 1.386 ( -3.869 3.361 3.137) 6.009 1.449 ( -2.923 -2.531 1.175) 4.041 1.481 ( -1.237 1.117 4.363) 4.671 1.546 ( -0.194 -5.138 3.700) 6.334 1.699 ( -2.393 0.340 1.612) 2.905 1.708 ( -0.754 -0.614 1.169) 1.520 1.829 ( 0.493 6.628 -0.362) 6.656 1.884 ( -2.197 3.137 2.724) 4.700 1.924 ( 0.145 -0.269 -1.807) 1.833 2.035 ( -1.802 -6.780 3.142) 7.687 2.333 ( 1.420 3.597 -2.808) 4.779 2.391 ( 1.328 -2.228 -1.496) 2.994 3.523 ( -0.321 2.779 1.031) 2.981 3.573 ( 0.274 -1.968 0.750) 2.124 3.776 ( 1.131 2.909 -1.488) 3.457 3.848 ( 1.786 -4.267 -2.708) 5.360 4.202 ( -0.077 1.401 0.168) 1.413 4.228 ( 0.346 -1.345 -0.509) 1.479 4.733 ( -0.699 1.014 1.542) 1.973 4.769 ( 0.059 -2.682 0.508) 2.730 5.258 ( 0.659 0.682 -1.445) 1.728 5.263 ( 0.486 0.325 -1.598) 1.702 5.538 ( -1.609 1.998 2.353) 3.481 5.574 ( -1.086 -1.656 1.744) 2.639 6.127 ( -2.228 1.393 0.149) 2.632 6.143 ( -2.248 -0.265 0.115) 2.266 6.369 ( 2.417 2.353 -1.376) 3.643 6.392 ( 2.654 -0.094 -2.090) 3.380======================= Grid point 146 (80/116) =======================q-point: ( 0.38 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.676 ( 0.137 3.371 -1.368) 3.640 0.746 ( 0.172 -3.407 -0.802) 3.504 0.957 ( 1.226 2.817 -0.879) 3.195 0.979 ( -0.218 0.791 -0.791) 1.140 1.031 ( -2.253 1.841 -3.016) 4.190 1.077 ( -0.254 -2.454 -2.513) 3.522 1.271 ( -2.523 1.951 -2.768) 4.223 1.323 ( -3.031 -1.061 -0.807) 3.311 1.349 ( -0.951 -0.344 -1.176) 1.551 1.393 ( -3.487 -2.902 -0.895) 4.624 1.513 ( 0.629 2.461 4.053) 4.784 1.584 ( 0.576 -4.484 3.786) 5.897 1.682 ( -1.318 0.994 1.525) 2.247 1.708 ( -0.209 -1.625 0.634) 1.757 1.832 ( 0.440 4.994 -0.801) 5.077 1.877 ( -1.612 2.029 2.787) 3.806 1.908 ( -0.145 2.213 -1.267) 2.554 2.038 ( -1.275 -6.753 3.304) 7.625 2.331 ( 0.967 4.030 -2.215) 4.699 2.400 ( 1.003 -2.958 -1.031) 3.289 3.529 ( -0.321 3.022 1.300) 3.305 3.585 ( 0.098 -2.382 0.943) 2.564 3.784 ( 1.267 3.154 -1.388) 3.671 3.857 ( 1.872 -4.123 -2.464) 5.155 4.202 ( -0.033 1.409 0.137) 1.416 4.229 ( 0.328 -1.363 -0.596) 1.524 4.735 ( -0.657 1.244 1.633) 2.156 4.776 ( 0.138 -2.892 0.574) 2.951 5.260 ( 0.829 0.611 -1.006) 1.440 5.263 ( 0.916 0.379 -0.956) 1.377 5.535 ( -1.327 2.043 2.664) 3.609 5.572 ( -1.116 -1.620 1.933) 2.758 6.093 ( -1.472 0.979 -0.471) 1.830 6.105 ( -1.881 -0.266 -0.441) 1.951 6.381 ( 1.083 2.469 -2.598) 3.744 6.403 ( 1.379 0.165 -3.172) 3.463======================= Grid point 147 (81/116) =======================q-point: (-0.50 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.667 ( 0.496 4.607 -2.027) 5.058 0.752 ( 1.394 -3.421 -1.312) 3.920 0.912 ( -1.943 3.379 -4.394) 5.874 0.959 ( -2.299 -0.688 -2.913) 3.774 0.981 ( -1.124 4.306 0.945) 4.549 1.064 ( -0.698 -4.309 -0.439) 4.387 1.208 ( -1.577 2.348 -2.045) 3.490 1.257 ( -2.307 -1.177 -3.354) 4.238 1.306 ( -2.788 -1.293 -0.918) 3.208 1.339 ( -0.628 -3.237 -1.145) 3.490 1.568 ( 0.655 2.888 4.711) 5.564 1.630 ( 0.011 -3.014 4.775) 5.647 1.676 ( -0.700 1.022 0.662) 1.405 1.707 ( -0.180 -2.198 -0.367) 2.235 1.829 ( 0.400 3.822 -1.252) 4.042 1.876 ( -0.094 -1.153 0.232) 1.180 1.906 ( -0.544 6.067 2.243) 6.491 2.048 ( -1.285 -6.545 3.426) 7.499 2.327 ( 0.902 4.131 -1.924) 4.646 2.405 ( 0.847 -3.542 -1.354) 3.885 3.535 ( -0.392 3.105 1.419) 3.436 3.592 ( -0.175 -2.479 0.901) 2.643 3.792 ( 1.168 3.267 -1.433) 3.754 3.865 ( 1.712 -4.039 -2.535) 5.066 4.203 ( -0.098 1.369 0.122) 1.378 4.228 ( 0.224 -1.314 -0.653) 1.484 4.739 ( -0.636 1.316 1.666) 2.217 4.782 ( 0.054 -3.071 0.499) 3.112 5.268 ( 1.083 0.725 -0.875) 1.570 5.275 ( 1.333 0.090 -0.770) 1.542 5.540 ( -0.997 1.821 2.878) 3.549 5.571 ( -0.989 -1.283 1.924) 2.516 6.072 ( -0.419 0.402 -0.533) 0.788 6.077 ( -0.721 -0.064 -0.529) 0.896 6.362 ( -0.233 2.471 -2.920) 3.832 6.384 ( 0.015 0.215 -3.536) 3.542======================= Grid point 148 (82/116) =======================q-point: (-0.38 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.655 ( -0.244 7.378 -0.661) 7.412 0.758 ( 0.854 -1.113 -1.998) 2.442 0.848 ( -1.433 1.620 -2.486) 3.295 0.900 ( -1.022 -2.161 -2.983) 3.823 0.950 ( -3.982 4.634 1.489) 6.289 1.030 ( -3.692 -3.568 1.577) 5.371 1.183 ( -0.512 -0.700 -0.998) 1.323 1.203 ( 1.192 -2.047 -4.277) 4.889 1.273 ( -0.083 2.147 -0.224) 2.160 1.344 ( 1.390 -4.168 -0.037) 4.394 1.595 ( -2.593 3.146 3.934) 5.665 1.662 ( -1.810 -2.871 4.587) 5.706 1.679 ( 0.633 1.226 1.097) 1.763 1.699 ( 0.213 -1.423 -0.456) 1.510 1.827 ( 0.637 3.721 -1.117) 3.937 1.882 ( 1.363 -1.841 -1.191) 2.582 1.922 ( -1.061 5.591 3.894) 6.895 2.053 ( -1.706 -6.113 3.367) 7.184 2.328 ( 1.208 3.874 -2.005) 4.526 2.406 ( 1.159 -3.766 -2.141) 4.484 3.541 ( -0.343 3.009 1.442) 3.354 3.596 ( -0.292 -2.231 0.732) 2.366 3.797 ( 1.019 3.160 -1.530) 3.655 3.869 ( 1.581 -4.005 -2.781) 5.126 4.202 ( -0.131 1.297 0.140) 1.311 4.225 ( 0.140 -1.199 -0.638) 1.365 4.743 ( -0.727 1.193 1.608) 2.131 4.786 ( -0.143 -3.111 0.352) 3.134 5.278 ( 1.222 0.915 -1.248) 1.972 5.293 ( 1.604 -0.458 -1.110) 2.004 5.552 ( -0.726 1.320 2.829) 3.205 5.573 ( -0.763 -0.822 1.742) 2.072 6.070 ( 0.675 0.535 -0.098) 0.867 6.078 ( 1.043 -0.303 -0.051) 1.087 6.326 ( -1.087 2.219 -2.122) 3.257 6.344 ( -1.056 0.309 -2.848) 3.053======================= Grid point 149 (83/116) =======================q-point: (-0.25 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.660 ( -0.172 9.158 3.231) 9.713 0.756 ( 1.627 2.687 -1.824) 3.632 0.821 ( -1.085 0.326 0.895) 1.444 0.881 ( 0.696 -3.891 -0.213) 3.959 0.887 ( -4.525 3.970 1.819) 6.288 0.980 ( -3.426 -5.265 2.122) 6.631 1.181 ( 1.118 0.046 0.023) 1.119 1.217 ( 2.612 -3.200 -1.061) 4.265 1.292 ( 2.236 3.544 -0.321) 4.203 1.372 ( 1.427 -3.684 0.399) 3.971 1.564 ( -3.791 2.924 2.615) 5.455 1.640 ( -3.109 -4.470 1.486) 5.644 1.706 ( -0.454 2.244 2.802) 3.619 1.719 ( 1.005 0.968 1.812) 2.287 1.829 ( 0.582 3.485 -0.934) 3.655 1.897 ( 1.637 -2.233 -1.354) 3.082 1.935 ( -1.555 4.271 3.887) 5.980 2.052 ( -1.974 -5.929 3.469) 7.148 2.331 ( 1.603 3.601 -2.606) 4.726 2.406 ( 1.489 -3.597 -3.060) 4.952 3.547 ( -0.453 2.756 1.187) 3.034 3.594 ( -0.476 -1.745 0.357) 1.843 3.798 ( 0.785 2.971 -1.739) 3.531 3.869 ( 1.500 -4.059 -3.088) 5.316 4.201 ( -0.048 1.200 0.159) 1.211 4.223 ( 0.209 -1.056 -0.568) 1.217 4.743 ( -0.935 1.003 1.495) 2.029 4.784 ( -0.391 -3.040 0.221) 3.073 5.285 ( 1.128 1.128 -1.907) 2.486 5.306 ( 1.473 -1.063 -1.920) 2.643 5.564 ( -0.765 0.784 2.343) 2.587 5.576 ( -0.565 -0.558 1.542) 1.735 6.097 ( 2.298 0.806 0.501) 2.486 6.109 ( 2.249 -0.446 0.623) 2.375 6.292 ( -1.315 1.650 -0.672) 2.214 6.301 ( -1.656 0.656 -1.256) 2.180======================= Grid point 150 (84/116) =======================q-point: (-0.12 0.43 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.704 ( -0.205 7.884 5.660) 9.708 0.771 ( 0.008 3.439 -0.158) 3.443 0.825 ( 0.907 3.194 0.765) 3.407 0.854 ( -1.003 0.637 2.751) 2.997 0.911 ( 1.807 -1.873 1.685) 3.101 0.983 ( 0.414 -7.527 5.206) 9.162 1.216 ( 2.371 1.307 0.715) 2.800 1.264 ( 3.239 -3.404 0.236) 4.704 1.333 ( 2.505 2.886 0.034) 3.821 1.396 ( 0.420 -2.132 1.410) 2.590 1.527 ( -3.362 1.702 2.856) 4.728 1.597 ( -3.504 -4.844 1.818) 6.249 1.717 ( -0.810 2.740 2.263) 3.645 1.745 ( -0.273 2.611 2.223) 3.441 1.828 ( 0.294 3.501 -0.903) 3.628 1.911 ( 1.276 -2.619 -1.128) 3.124 1.938 ( -2.037 3.433 3.452) 5.277 2.050 ( -2.085 -6.227 3.689) 7.532 2.334 ( 1.881 3.455 -3.459) 5.238 2.401 ( 1.503 -3.053 -3.702) 5.029 3.545 ( -0.806 2.471 0.677) 2.686 3.585 ( -0.715 -1.278 -0.089) 1.467 3.792 ( 0.499 2.849 -1.994) 3.513 3.864 ( 1.331 -4.252 -3.365) 5.583 4.203 ( -0.009 1.140 0.159) 1.151 4.223 ( 0.339 -0.995 -0.496) 1.162 4.739 ( -1.053 0.862 1.404) 1.955 4.777 ( -0.544 -2.911 0.157) 2.965 5.282 ( 0.880 1.228 -2.402) 2.838 5.306 ( 0.965 -1.233 -2.693) 3.115 5.566 ( -1.135 0.709 1.884) 2.311 5.579 ( -0.627 -0.628 1.289) 1.565 6.151 ( 2.871 0.722 0.828) 3.074 6.159 ( 2.409 -0.189 0.923) 2.586 6.266 ( -1.489 1.656 0.341) 2.253 6.278 ( -0.494 0.384 0.646) 0.899======================= Grid point 175 (85/116) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.612 ( -7.160 0.000 7.642) 10.472 0.685 ( -3.444 0.000 9.018) 9.654 0.729 ( 6.866 0.000 -3.041) 7.510 0.837 ( 0.156 0.000 -4.434) 4.437 0.932 ( -1.501 0.000 3.262) 3.591 0.998 ( 5.438 0.000 -2.769) 6.103 1.398 ( -3.221 0.000 9.716) 10.236 1.428 ( -2.962 0.000 3.553) 4.625 1.507 ( -0.468 0.000 2.138) 2.189 1.514 ( 2.947 0.000 -1.607) 3.357 1.613 ( -3.562 0.000 8.869) 9.557 1.658 ( -0.867 0.000 1.626) 1.843 1.666 ( 0.593 0.000 -1.155) 1.298 1.748 ( 0.396 0.000 -0.164) 0.429 1.785 ( 1.234 0.000 -0.849) 1.498 1.833 ( 4.743 0.000 -8.730) 9.936 1.913 ( -2.936 0.000 -0.928) 3.079 1.959 ( 3.224 0.000 -5.540) 6.409 2.394 ( -1.877 0.000 1.813) 2.610 2.420 ( 0.560 0.000 -1.106) 1.240 3.427 ( -0.223 0.000 -0.247) 0.333 3.439 ( 0.569 0.000 -1.498) 1.603 3.848 ( -1.869 0.000 3.580) 4.039 3.925 ( 2.019 0.000 -4.363) 4.808 4.200 ( -1.384 0.000 1.779) 2.254 4.233 ( 1.303 0.000 -1.712) 2.151 4.935 ( 0.328 0.000 1.204) 1.248 4.955 ( -3.079 0.000 -0.866) 3.198 5.134 ( -0.668 0.000 1.155) 1.335 5.166 ( 0.785 0.000 -2.240) 2.374 5.549 ( -1.582 0.000 1.670) 2.301 5.574 ( 1.075 0.000 -0.994) 1.464 6.150 ( -3.410 0.000 2.992) 4.536 6.165 ( 1.343 0.000 0.655) 1.494 6.182 ( -0.420 0.000 0.521) 0.670 6.232 ( 4.234 0.000 -3.834) 5.712======================= Grid point 176 (86/116) =======================q-point: ( 0.12 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.581 ( -2.753 0.000 4.906) 5.625 0.721 ( -2.537 0.000 9.612) 9.942 0.797 ( -1.426 0.000 -1.918) 2.390 0.807 ( 6.189 0.000 -5.996) 8.617 0.927 ( 0.814 0.000 -2.730) 2.849 1.042 ( 4.098 0.000 -4.639) 6.190 1.375 ( -6.445 0.000 3.333) 7.256 1.399 ( -5.448 0.000 6.929) 8.814 1.489 ( -1.247 0.000 -2.675) 2.952 1.524 ( -0.551 0.000 -0.113) 0.562 1.606 ( -5.814 0.000 6.134) 8.451 1.666 ( 0.859 0.000 0.310) 0.913 1.676 ( 1.283 0.000 -0.609) 1.420 1.741 ( -0.685 0.000 -0.765) 1.026 1.803 ( 1.333 0.000 -0.155) 1.342 1.832 ( 4.461 0.000 -9.405) 10.410 1.874 ( -1.635 0.000 1.541) 2.246 1.981 ( 3.754 0.000 -2.787) 4.676 2.393 ( -0.559 0.000 2.714) 2.771 2.440 ( 2.163 0.000 -0.251) 2.177 3.427 ( 0.123 0.000 0.295) 0.320 3.440 ( 0.886 0.000 -1.082) 1.398 3.850 ( -1.861 0.000 3.781) 4.214 3.921 ( 2.066 0.000 -4.083) 4.576 4.192 ( -1.344 0.000 1.809) 2.254 4.239 ( 1.125 0.000 -1.686) 2.027 4.906 ( -3.141 0.000 1.889) 3.665 4.957 ( 0.086 0.000 2.712) 2.713 5.137 ( -0.463 0.000 1.571) 1.638 5.164 ( 1.133 0.000 -1.880) 2.195 5.539 ( -1.340 0.000 1.738) 2.195 5.583 ( 0.867 0.000 -0.786) 1.170 6.110 ( -3.479 0.000 1.451) 3.769 6.174 ( -0.967 0.000 0.412) 1.051 6.182 ( 0.317 0.000 0.098) 0.331 6.256 ( 3.070 0.000 -4.795) 5.693======================= Grid point 177 (87/116) =======================q-point: ( 0.25 0.00 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.595 ( 1.031 0.000 -0.284) 1.069 0.754 ( -2.288 0.000 4.678) 5.208 0.756 ( -1.837 0.000 -0.492) 1.902 0.807 ( 0.967 0.000 -6.179) 6.254 0.929 ( 4.190 0.000 -5.369) 6.810 1.074 ( 3.519 0.000 -3.392) 4.888 1.291 ( -5.526 0.000 2.693) 6.148 1.356 ( -5.373 0.000 5.141) 7.436 1.429 ( -1.372 0.000 -4.975) 5.161 1.486 ( -2.220 0.000 -3.471) 4.121 1.544 ( -7.681 0.000 7.660) 10.848 1.686 ( 0.622 0.000 0.877) 1.075 1.693 ( 1.077 0.000 -0.360) 1.136 1.717 ( -0.146 0.000 -2.770) 2.774 1.818 ( 3.257 0.000 -7.552) 8.224 1.822 ( 0.887 0.000 -0.129) 0.896 1.878 ( -0.673 0.000 3.101) 3.173 2.021 ( 2.707 0.000 -1.508) 3.099 2.420 ( -0.154 0.000 4.038) 4.041 2.479 ( 2.588 0.000 -0.519) 2.640 3.434 ( 0.210 0.000 0.569) 0.607 3.447 ( 0.963 0.000 -1.035) 1.414 3.852 ( -1.896 0.000 3.853) 4.294 3.923 ( 2.197 0.000 -3.713) 4.315 4.188 ( -1.067 0.000 1.908) 2.186 4.241 ( 0.970 0.000 -1.835) 2.076 4.883 ( -2.482 0.000 3.699) 4.454 4.980 ( -0.672 0.000 3.061) 3.134 5.145 ( -0.514 0.000 1.922) 1.990 5.169 ( 1.340 0.000 -1.620) 2.102 5.535 ( -1.021 0.000 1.792) 2.062 5.587 ( 0.285 0.000 -0.688) 0.745 6.068 ( -2.000 0.000 0.149) 2.005 6.160 ( -1.050 0.000 0.504) 1.165 6.177 ( -0.482 0.000 -1.002) 1.112 6.254 ( 1.772 0.000 -4.620) 4.948======================= Grid point 178 (88/116) =======================q-point: ( 0.38 0.00 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.580 ( -0.024 0.000 -5.597) 5.597 0.684 ( -1.290 0.000 -10.091) 10.173 0.743 ( 0.684 0.000 0.471) 0.830 0.792 ( -2.670 0.000 4.241) 5.012 0.976 ( 6.009 0.000 -4.048) 7.245 1.056 ( -4.337 0.000 0.688) 4.391 1.276 ( 1.622 0.000 0.960) 1.885 1.318 ( -4.036 0.000 4.222) 5.840 1.367 ( -0.381 0.000 -4.618) 4.634 1.410 ( -2.598 0.000 -2.930) 3.916 1.487 ( -7.714 0.000 8.777) 11.685 1.681 ( 1.501 0.000 -6.590) 6.758 1.703 ( 0.631 0.000 0.772) 0.998 1.709 ( 0.157 0.000 0.703) 0.720 1.814 ( 2.391 0.000 -4.067) 4.718 1.828 ( -0.040 0.000 -0.318) 0.320 1.904 ( 0.205 0.000 3.449) 3.455 2.036 ( 1.070 0.000 -2.463) 2.685 2.451 ( -1.143 0.000 4.818) 4.952 2.513 ( 2.202 0.000 -1.188) 2.502 3.441 ( -0.089 0.000 0.498) 0.506 3.453 ( 1.049 0.000 -1.318) 1.684 3.855 ( -1.817 0.000 3.837) 4.246 3.927 ( 2.142 0.000 -3.558) 4.153 4.189 ( -0.927 0.000 2.065) 2.263 4.240 ( 0.975 0.000 -2.072) 2.290 4.888 ( -1.277 0.000 4.674) 4.846 4.984 ( -1.334 0.000 1.663) 2.132 5.152 ( -0.753 0.000 1.969) 2.108 5.178 ( 1.394 0.000 -1.593) 2.117 5.536 ( -0.771 0.000 1.850) 2.005 5.581 ( -0.136 0.000 -0.833) 0.844 6.054 ( 0.370 0.000 0.011) 0.370 6.149 ( -1.223 0.000 -1.907) 2.265 6.151 ( -0.849 0.000 1.177) 1.451 6.235 ( 0.767 0.000 -4.204) 4.273======================= Grid point 179 (89/116) =======================q-point: (-0.50 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.516 ( -1.875 0.000 -2.692) 3.281 0.578 ( -0.555 0.000 -8.365) 8.383 0.771 ( -3.236 0.000 2.543) 4.116 0.779 ( 2.485 0.000 0.716) 2.586 0.974 ( -6.626 0.000 3.145) 7.334 1.045 ( 5.076 0.000 -2.702) 5.750 1.290 ( -3.239 0.000 3.048) 4.448 1.313 ( 0.417 0.000 0.983) 1.068 1.348 ( -2.131 0.000 -2.031) 2.944 1.348 ( 2.479 0.000 -2.520) 3.535 1.456 ( -6.028 0.000 11.198) 12.718 1.654 ( 3.381 0.000 -7.927) 8.618 1.715 ( -0.059 0.000 0.358) 0.363 1.722 ( 1.252 0.000 -0.323) 1.293 1.816 ( -0.727 0.000 -0.500) 0.882 1.823 ( 1.849 0.000 -2.082) 2.784 1.946 ( 0.998 0.000 3.431) 3.573 2.018 ( 0.556 0.000 -4.052) 4.090 2.464 ( -2.445 0.000 4.913) 5.488 2.530 ( 1.326 0.000 -1.832) 2.262 3.441 ( -0.243 0.000 0.335) 0.414 3.459 ( 1.129 0.000 -1.592) 1.951 3.859 ( -1.768 0.000 3.711) 4.111 3.930 ( 2.008 0.000 -3.671) 4.184 4.193 ( -0.950 0.000 2.230) 2.423 4.237 ( 0.944 0.000 -2.249) 2.439 4.924 ( 0.580 0.000 4.540) 4.577 4.968 ( -1.153 0.000 -0.275) 1.185 5.154 ( -0.880 0.000 1.674) 1.892 5.187 ( 1.424 0.000 -1.792) 2.289 5.542 ( -0.563 0.000 1.980) 2.058 5.570 ( -0.021 0.000 -0.978) 0.978 6.077 ( 1.781 0.000 0.695) 1.912 6.105 ( -1.583 0.000 -2.203) 2.713 6.153 ( -0.776 0.000 2.267) 2.396 6.207 ( 0.061 0.000 -3.430) 3.431======================= Grid point 180 (90/116) =======================q-point: (-0.38 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.502 ( -1.098 0.000 6.301) 6.396 0.532 ( 0.941 0.000 -2.136) 2.334 0.738 ( -2.809 0.000 2.131) 3.526 0.832 ( 2.974 0.000 0.277) 2.987 0.897 ( -5.483 0.000 3.011) 6.255 1.070 ( -2.120 0.000 0.850) 2.284 1.270 ( -1.067 0.000 1.917) 2.194 1.320 ( 1.348 0.000 -1.251) 1.839 1.327 ( 0.265 0.000 2.076) 2.092 1.379 ( 1.930 0.000 0.012) 1.930 1.478 ( -4.284 0.000 12.322) 13.045 1.660 ( 4.983 0.000 -6.964) 8.563 1.714 ( 0.123 0.000 -0.570) 0.583 1.733 ( 0.905 0.000 -1.774) 1.992 1.797 ( -0.791 0.000 -0.706) 1.061 1.834 ( 1.343 0.000 -1.771) 2.223 1.990 ( 1.326 0.000 -5.244) 5.409 1.992 ( 0.859 0.000 2.523) 2.665 2.459 ( -2.981 0.000 4.372) 5.292 2.522 ( 0.027 0.000 -2.477) 2.477 3.440 ( -0.041 0.000 0.109) 0.116 3.462 ( 0.893 0.000 -1.738) 1.954 3.860 ( -1.922 0.000 3.469) 3.966 3.930 ( 2.057 0.000 -3.907) 4.416 4.197 ( -0.893 0.000 2.270) 2.440 4.232 ( 0.857 0.000 -2.258) 2.415 4.945 ( -0.468 0.000 -1.355) 1.433 4.984 ( 2.381 0.000 2.334) 3.334 5.152 ( -0.912 0.000 1.269) 1.563 5.194 ( 1.410 0.000 -2.235) 2.643 5.552 ( -0.414 0.000 2.116) 2.156 5.564 ( 0.314 0.000 -1.043) 1.089 6.064 ( -0.837 0.000 -1.399) 1.630 6.118 ( 1.833 0.000 1.161) 2.170 6.163 ( -1.069 0.000 3.284) 3.454 6.180 ( -0.092 0.000 -2.037) 2.039======================= Grid point 181 (91/116) =======================q-point: (-0.25 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( 2.979 0.000 1.431) 3.305 0.582 ( -0.181 0.000 11.568) 11.570 0.714 ( -4.202 0.000 5.007) 6.536 0.859 ( -0.081 0.000 0.734) 0.739 0.871 ( 2.213 0.000 -2.347) 3.226 1.000 ( -7.666 0.000 4.744) 9.015 1.294 ( 0.221 0.000 4.475) 4.480 1.364 ( 1.126 0.000 3.337) 3.522 1.370 ( 5.693 0.000 -2.192) 6.100 1.418 ( 1.464 0.000 2.408) 2.818 1.522 ( -4.023 0.000 12.905) 13.517 1.684 ( 2.308 0.000 -2.780) 3.613 1.712 ( 2.166 0.000 -3.361) 3.999 1.716 ( -0.970 0.000 -1.716) 1.971 1.781 ( -0.088 0.000 -1.034) 1.038 1.837 ( 1.517 0.000 -2.988) 3.351 1.972 ( 2.336 0.000 -5.896) 6.342 2.009 ( -0.831 0.000 0.626) 1.041 2.443 ( -2.897 0.000 3.183) 4.304 2.488 ( -1.121 0.000 -2.884) 3.094 3.440 ( 0.036 0.000 -0.240) 0.243 3.457 ( 0.480 0.000 -1.823) 1.885 3.856 ( -2.094 0.000 3.278) 3.890 3.930 ( 2.189 0.000 -4.162) 4.703 4.203 ( -0.844 0.000 2.107) 2.270 4.227 ( 0.959 0.000 -2.101) 2.310 4.930 ( 0.064 0.000 -1.277) 1.278 5.029 ( 1.966 0.000 -1.583) 2.524 5.146 ( -0.953 0.000 0.952) 1.347 5.192 ( 0.936 0.000 -2.849) 2.998 5.562 ( 0.643 0.000 -1.071) 1.249 5.562 ( -0.692 0.000 1.908) 2.029 6.066 ( 1.950 0.000 0.135) 1.955 6.155 ( 0.983 0.000 1.382) 1.696 6.172 ( 0.606 0.000 -0.692) 0.920 6.172 ( -1.531 0.000 3.607) 3.919======================= Grid point 182 (92/116) =======================q-point: (-0.12 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.641 ( 5.327 0.000 -1.058) 5.431 0.649 ( -4.877 0.000 10.134) 11.247 0.686 ( -5.584 0.000 8.330) 10.029 0.865 ( 1.535 0.000 -5.036) 5.265 0.913 ( 5.540 0.000 -0.687) 5.582 0.936 ( -5.093 0.000 6.483) 8.244 1.348 ( -0.938 0.000 8.283) 8.335 1.413 ( 0.711 0.000 3.139) 3.218 1.453 ( 5.838 0.000 -2.251) 6.257 1.471 ( 0.696 0.000 4.676) 4.727 1.573 ( -3.365 0.000 12.230) 12.684 1.677 ( -0.562 0.000 -0.891) 1.054 1.678 ( -2.150 0.000 -0.025) 2.151 1.732 ( 2.921 0.000 -2.898) 4.115 1.777 ( 0.802 0.000 -1.244) 1.480 1.834 ( 2.879 0.000 -5.835) 6.506 1.962 ( 2.856 0.000 -6.217) 6.842 1.974 ( -2.740 0.000 -0.974) 2.908 2.418 ( -2.702 0.000 2.052) 3.393 2.442 ( -1.034 0.000 -2.431) 2.642 3.436 ( -0.215 0.000 -0.483) 0.529 3.447 ( 0.322 0.000 -1.807) 1.836 3.850 ( -2.030 0.000 3.334) 3.903 3.929 ( 2.151 0.000 -4.361) 4.863 4.205 ( -1.080 0.000 1.880) 2.168 4.228 ( 1.219 0.000 -1.881) 2.242 4.925 ( 0.282 0.000 -0.312) 0.421 5.014 ( -1.048 0.000 -3.156) 3.325 5.138 ( -0.893 0.000 0.898) 1.266 5.177 ( 0.502 0.000 -2.660) 2.707 5.560 ( -1.407 0.000 1.668) 2.182 5.566 ( 0.940 0.000 -1.104) 1.450 6.121 ( 3.353 0.000 0.273) 3.364 6.170 ( -2.549 0.000 4.129) 4.852 6.178 ( 0.306 0.000 0.505) 0.590 6.191 ( 2.685 0.000 -1.178) 2.932======================= Grid point 183 (93/116) =======================q-point: ( 0.00 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.609 ( -6.268 2.041 7.607) 10.065 0.725 ( 6.623 0.840 -4.159) 7.865 0.800 ( -3.000 5.593 6.717) 9.241 0.899 ( 2.482 3.397 -3.002) 5.168 0.952 ( -3.014 3.697 4.537) 6.583 1.032 ( 4.143 4.454 -2.612) 6.620 1.333 ( -3.518 -4.301 7.911) 9.668 1.426 ( 1.283 -1.820 0.148) 2.232 1.487 ( -0.799 -1.742 2.496) 3.147 1.497 ( 1.735 -1.318 -0.661) 2.277 1.599 ( -3.226 -1.676 7.592) 8.418 1.643 ( -0.774 -2.104 1.137) 2.514 1.689 ( 0.478 1.281 -1.719) 2.196 1.696 ( 1.805 -1.298 -0.817) 2.369 1.802 ( -1.980 1.630 2.017) 3.263 1.884 ( 0.879 2.241 -3.457) 4.212 1.928 ( 0.452 0.877 -3.479) 3.616 1.957 ( 3.399 1.265 -4.976) 6.158 2.370 ( -2.035 -2.236 2.057) 3.656 2.404 ( 0.762 -1.540 -1.675) 2.399 3.448 ( -0.488 1.972 -0.001) 2.032 3.463 ( 0.775 2.379 -1.599) 2.970 3.835 ( -1.828 -1.410 3.361) 4.077 3.909 ( 1.975 -1.749 -4.241) 4.995 4.198 ( -1.231 -0.069 1.677) 2.082 4.230 ( 1.222 -0.322 -1.608) 2.045 4.884 ( -2.346 -5.178 1.298) 5.831 4.895 ( 0.441 -3.587 0.058) 3.615 5.189 ( -0.364 2.766 -1.017) 2.969 5.191 ( 0.251 2.870 -1.248) 3.139 5.555 ( -1.775 0.687 1.711) 2.560 5.581 ( 1.112 0.592 -0.932) 1.567 6.159 ( -2.531 0.911 1.947) 3.320 6.173 ( 0.602 0.650 0.357) 0.955 6.200 ( 0.133 1.927 1.345) 2.354 6.246 ( 3.418 1.389 -3.044) 4.784======================= Grid point 184 (94/116) =======================q-point: ( 0.12 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.588 ( -2.675 1.734 4.808) 5.769 0.781 ( 1.197 3.119 -0.918) 3.464 0.805 ( 1.057 1.681 -0.388) 2.023 0.907 ( 0.517 7.193 -0.683) 7.244 0.940 ( -0.530 1.865 -0.668) 2.050 1.070 ( 3.720 3.271 -3.661) 6.160 1.308 ( -5.339 -3.810 4.228) 7.804 1.424 ( -2.122 -0.225 1.212) 2.454 1.454 ( -2.594 -2.528 -1.372) 3.873 1.518 ( -0.073 -0.747 -0.125) 0.761 1.592 ( -4.132 -1.639 3.747) 5.814 1.647 ( 0.068 -1.598 1.391) 2.120 1.689 ( 0.947 0.728 -0.865) 1.474 1.717 ( 1.757 -1.860 -1.747) 3.098 1.784 ( -2.027 1.231 1.826) 2.993 1.858 ( -1.539 0.936 0.434) 1.852 1.917 ( 2.255 1.651 -5.160) 5.868 1.985 ( 3.783 1.638 -2.957) 5.073 2.367 ( -0.900 -2.472 2.948) 3.951 2.420 ( 2.168 -1.731 -0.591) 2.836 3.444 ( -0.187 1.821 0.497) 1.897 3.469 ( 1.280 2.659 -1.169) 3.174 3.836 ( -1.786 -1.493 3.599) 4.286 3.906 ( 2.045 -1.670 -3.910) 4.718 4.192 ( -1.182 0.068 1.639) 2.022 4.235 ( 1.069 -0.371 -1.625) 1.980 4.860 ( -2.431 -3.746 2.488) 5.111 4.907 ( 0.458 -4.231 0.899) 4.350 5.176 ( -0.447 3.073 0.268) 3.117 5.194 ( 0.585 2.223 -0.350) 2.325 5.543 ( -1.543 0.464 1.843) 2.448 5.592 ( 0.891 0.696 -0.630) 1.294 6.120 ( -3.364 0.983 1.154) 3.689 6.168 ( -1.199 0.131 0.286) 1.240 6.216 ( 0.650 2.649 0.079) 2.728 6.269 ( 2.987 1.360 -4.203) 5.333======================= Grid point 185 (95/116) =======================q-point: ( 0.25 0.14 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.594 ( 0.109 0.411 -0.079) 0.432 0.761 ( -2.750 2.245 1.340) 3.794 0.796 ( 1.303 1.393 -8.113) 8.335 0.907 ( -0.524 7.291 0.611) 7.335 0.937 ( 2.765 1.952 -2.951) 4.490 1.090 ( 0.148 0.588 -1.160) 1.309 1.266 ( -1.145 -0.263 1.353) 1.792 1.377 ( -1.532 -3.135 -4.327) 5.558 1.391 ( -5.088 0.930 3.082) 6.021 1.491 ( -2.017 -0.000 -2.009) 2.847 1.536 ( -5.466 -0.649 3.798) 6.687 1.658 ( 0.404 -2.215 -0.774) 2.381 1.700 ( 0.525 -0.095 -0.100) 0.543 1.723 ( 1.007 0.158 -1.794) 2.064 1.773 ( -0.665 -0.059 1.136) 1.317 1.849 ( -0.322 0.277 1.081) 1.162 1.908 ( 1.153 1.226 -3.071) 3.502 2.021 ( 2.586 0.731 -1.811) 3.241 2.389 ( -0.480 -2.961 4.099) 5.079 2.458 ( 2.511 -1.958 -0.575) 3.236 3.449 ( -0.118 1.738 0.922) 1.971 3.481 ( 1.393 2.989 -1.287) 3.540 3.838 ( -1.796 -1.486 3.702) 4.375 3.908 ( 2.168 -1.547 -3.547) 4.435 4.189 ( -0.932 0.135 1.685) 1.930 4.237 ( 0.928 -0.392 -1.765) 2.033 4.848 ( -2.127 -3.012 3.555) 5.121 4.923 ( 0.223 -4.718 1.013) 4.831 5.177 ( -0.155 2.746 0.937) 2.906 5.202 ( 0.390 2.271 0.234) 2.316 5.537 ( -1.152 0.332 1.964) 2.300 5.597 ( 0.242 0.796 -0.493) 0.967 6.075 ( -2.143 0.819 0.058) 2.295 6.145 ( -1.633 -0.522 0.022) 1.715 6.219 ( 0.135 3.174 -0.857) 3.290 6.272 ( 1.887 1.824 -4.231) 4.979======================= Grid point 186 (96/116) =======================q-point: ( 0.38 0.14 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( -0.532 -0.575 -4.640) 4.705 0.687 ( -1.037 0.629 -10.194) 10.266 0.768 ( 0.061 3.099 1.613) 3.494 0.893 ( -1.677 6.398 -0.091) 6.615 0.982 ( 5.208 1.584 -2.881) 6.159 1.044 ( -5.408 -1.189 2.657) 6.142 1.296 ( 1.963 0.981 -0.597) 2.274 1.319 ( -0.174 -2.990 -2.280) 3.765 1.340 ( -3.630 1.537 2.207) 4.518 1.425 ( -2.945 0.856 -2.090) 3.711 1.489 ( -4.836 0.602 5.449) 7.310 1.641 ( 0.423 -2.518 -4.203) 4.917 1.707 ( 0.092 0.104 0.754) 0.767 1.724 ( 0.480 1.020 -0.550) 1.254 1.782 ( 0.856 -1.012 0.465) 1.405 1.853 ( 0.353 0.274 -1.346) 1.418 1.910 ( 0.604 0.210 1.069) 1.246 2.033 ( 1.023 0.280 -2.424) 2.646 2.418 ( -1.024 -3.181 4.751) 5.809 2.489 ( 1.931 -2.284 -1.176) 3.214 3.455 ( -0.259 1.785 1.083) 2.104 3.490 ( 1.236 3.127 -1.795) 3.811 3.842 ( -1.717 -1.432 3.716) 4.337 3.914 ( 2.098 -1.479 -3.453) 4.302 4.190 ( -0.809 0.130 1.808) 1.985 4.236 ( 0.907 -0.393 -1.948) 2.185 4.852 ( -1.445 -3.084 4.216) 5.420 4.930 ( -0.131 -4.595 0.182) 4.600 5.186 ( 0.074 2.829 1.105) 3.038 5.209 ( 0.249 2.175 0.005) 2.189 5.538 ( -0.808 0.377 2.106) 2.287 5.591 ( -0.258 0.835 -0.695) 1.116 6.056 ( -0.035 0.292 -0.092) 0.308 6.115 ( -1.615 -1.180 -0.303) 2.023 6.208 ( -0.417 3.595 -0.721) 3.690 6.259 ( 0.940 2.280 -3.947) 4.654======================= Grid point 187 (97/116) =======================q-point: (-0.50 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.512 ( -1.775 0.110 -1.878) 2.586 0.584 ( -0.267 0.937 -8.697) 8.752 0.803 ( 1.030 3.168 3.040) 4.509 0.850 ( -1.959 4.655 -1.501) 5.269 0.973 ( -6.252 0.348 4.255) 7.570 1.053 ( 5.643 1.031 -3.001) 6.474 1.282 ( -0.976 -3.563 1.042) 3.839 1.298 ( -2.384 0.137 0.718) 2.494 1.347 ( -2.992 -0.211 1.110) 3.198 1.364 ( 0.502 1.846 0.108) 1.916 1.482 ( -2.122 3.373 5.927) 7.142 1.610 ( 1.537 -2.753 -5.414) 6.265 1.715 ( 0.067 0.067 0.678) 0.685 1.728 ( 0.514 0.623 -0.681) 1.057 1.807 ( 1.352 -0.921 0.303) 1.663 1.837 ( 0.594 0.125 -2.967) 3.028 1.946 ( 1.098 -0.153 2.982) 3.181 2.015 ( 0.416 0.216 -3.878) 3.906 2.435 ( -2.099 -2.830 4.814) 5.966 2.501 ( 1.173 -2.738 -1.932) 3.550 3.460 ( -0.357 1.972 1.097) 2.285 3.492 ( 1.180 2.988 -2.240) 3.917 3.846 ( -1.669 -1.359 3.616) 4.208 3.916 ( 1.962 -1.487 -3.631) 4.387 4.193 ( -0.866 0.078 1.969) 2.153 4.233 ( 0.849 -0.388 -2.060) 2.262 4.874 ( -0.540 -4.059 4.166) 5.842 4.923 ( -0.176 -3.957 -0.986) 4.082 5.198 ( 0.320 3.283 0.791) 3.392 5.212 ( 0.668 1.970 -0.791) 2.226 5.547 ( -0.521 0.602 2.288) 2.422 5.579 ( -0.156 0.744 -0.956) 1.221 6.070 ( 1.195 -0.505 0.482) 1.384 6.085 ( -1.202 -1.100 -0.830) 1.829 6.197 ( -0.770 3.554 0.727) 3.708 6.236 ( 0.252 2.684 -3.130) 4.131======================= Grid point 188 (98/116) =======================q-point: (-0.38 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.505 ( -0.962 0.812 6.214) 6.340 0.540 ( 1.394 1.160 -2.664) 3.223 0.803 ( -1.804 5.026 -0.140) 5.342 0.849 ( -0.444 1.060 2.786) 3.013 0.917 ( -3.235 2.121 3.309) 5.090 1.101 ( 1.422 2.484 -1.481) 3.223 1.270 ( -1.764 -0.939 1.671) 2.606 1.280 ( -2.229 -2.207 2.376) 3.935 1.307 ( 0.297 -1.553 1.759) 2.365 1.400 ( 0.912 0.841 2.664) 2.938 1.507 ( -1.694 3.779 6.516) 7.721 1.605 ( 3.079 -3.665 -4.575) 6.621 1.718 ( -0.140 0.495 0.039) 0.515 1.724 ( -0.239 -0.373 -0.902) 1.005 1.818 ( 0.980 0.704 -1.581) 1.989 1.840 ( 2.204 -0.054 -2.345) 3.219 1.986 ( 1.175 -0.284 -4.552) 4.710 1.989 ( 0.581 -0.101 1.886) 1.976 2.433 ( -2.718 -2.423 4.113) 5.493 2.493 ( 0.229 -2.844 -2.543) 3.822 3.463 ( -0.267 2.199 0.821) 2.363 3.490 ( 0.988 2.709 -2.342) 3.715 3.848 ( -1.806 -1.268 3.358) 4.018 3.916 ( 1.997 -1.553 -3.896) 4.645 4.196 ( -0.869 -0.029 2.052) 2.229 4.228 ( 0.755 -0.359 -2.020) 2.186 4.902 ( -0.110 -5.461 2.438) 5.982 4.910 ( 0.134 -3.604 -1.008) 3.745 5.204 ( 0.367 2.553 -0.788) 2.697 5.224 ( 1.544 2.937 -1.137) 3.508 5.560 ( -0.375 0.772 1.960) 2.140 5.571 ( 0.311 0.726 -0.716) 1.066 6.060 ( -0.365 -0.197 -0.579) 0.712 6.104 ( 1.726 -0.928 0.694) 2.079 6.196 ( -1.004 3.082 2.310) 3.980 6.215 ( -0.127 2.935 -1.492) 3.295======================= Grid point 189 (99/116) =======================q-point: (-0.25 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( 2.627 0.504 2.935) 3.971 0.592 ( 0.822 1.780 9.066) 9.276 0.773 ( -3.722 4.714 3.639) 7.023 0.845 ( 0.037 -0.396 0.595) 0.716 0.934 ( 1.112 3.822 1.667) 4.316 1.061 ( -5.459 5.906 2.218) 8.343 1.270 ( -0.872 -1.550 3.587) 4.004 1.305 ( 3.568 -4.051 -0.131) 5.400 1.356 ( 1.514 -1.736 4.520) 5.073 1.443 ( 1.012 0.489 3.186) 3.378 1.541 ( -2.125 2.500 8.004) 8.650 1.624 ( 2.900 -4.589 -3.086) 6.244 1.704 ( -1.041 -0.197 -0.607) 1.221 1.713 ( -0.399 0.903 -0.440) 1.080 1.822 ( 0.433 1.629 -0.855) 1.890 1.855 ( 3.332 0.998 -4.367) 5.583 1.966 ( 2.266 0.079 -5.815) 6.241 2.000 ( -1.164 -0.823 0.989) 1.735 2.418 ( -2.751 -2.275 2.952) 4.632 2.464 ( -0.662 -2.391 -2.986) 3.882 3.464 ( -0.262 2.258 0.295) 2.292 3.483 ( 0.555 2.467 -2.258) 3.390 3.845 ( -1.995 -1.208 3.106) 3.884 3.915 ( 2.120 -1.654 -4.137) 4.934 4.200 ( -0.838 -0.150 1.982) 2.157 4.224 ( 0.861 -0.311 -1.866) 2.079 4.897 ( 0.306 -3.110 -1.535) 3.482 4.921 ( -0.590 -6.901 1.500) 7.087 5.200 ( 0.501 2.051 -1.549) 2.619 5.232 ( 1.169 3.420 -2.579) 4.440 5.564 ( 0.189 0.427 -0.206) 0.511 5.578 ( -0.205 1.108 0.960) 1.480 6.072 ( 2.147 0.651 0.252) 2.257 6.140 ( 1.725 -0.677 0.598) 1.947 6.199 ( -1.715 2.670 2.935) 4.323 6.209 ( 0.114 2.716 0.295) 2.735======================= Grid point 190 (100/116) =======================q-point: (-0.12 0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.641 ( -1.193 1.313 5.341) 5.628 0.652 ( 0.739 1.773 2.866) 3.450 0.772 ( -1.613 4.053 7.312) 8.514 0.873 ( 3.045 -0.010 -1.719) 3.497 0.962 ( -0.886 4.040 2.856) 5.026 1.001 ( -1.805 7.670 1.309) 7.987 1.301 ( -1.493 -3.309 7.172) 8.039 1.375 ( 4.620 -3.570 -0.873) 5.904 1.429 ( 1.913 -1.612 4.558) 5.199 1.485 ( 0.475 -0.134 2.402) 2.452 1.575 ( -3.025 0.384 9.217) 9.709 1.643 ( 1.501 -4.989 -1.561) 5.439 1.684 ( -0.362 0.331 -0.337) 0.595 1.700 ( -0.106 1.724 -1.199) 2.102 1.815 ( -1.198 1.639 1.040) 2.281 1.877 ( 4.497 2.540 -6.139) 8.023 1.956 ( 2.678 0.113 -5.862) 6.445 1.970 ( -2.406 -0.275 -0.453) 2.464 2.394 ( -2.737 -2.220 2.141) 4.124 2.424 ( -0.523 -1.780 -2.871) 3.418 3.458 ( -0.512 2.147 -0.082) 2.208 3.470 ( 0.405 2.318 -2.078) 3.139 3.838 ( -1.983 -1.273 3.105) 3.899 3.913 ( 2.090 -1.730 -4.292) 5.077 4.202 ( -1.010 -0.174 1.814) 2.083 4.225 ( 1.131 -0.291 -1.705) 2.067 4.892 ( 0.397 -3.126 -0.908) 3.280 4.911 ( -1.660 -6.692 0.765) 6.937 5.194 ( 0.510 1.885 -1.654) 2.559 5.216 ( -0.155 3.753 -2.637) 4.589 5.566 ( -0.381 0.545 0.618) 0.908 5.576 ( -0.167 0.881 -0.136) 0.907 6.127 ( 3.353 0.684 0.288) 3.434 6.171 ( 1.072 -0.098 0.248) 1.105 6.193 ( -2.054 2.262 3.364) 4.545 6.220 ( 1.139 2.264 -0.252) 2.546======================= Grid point 191 (101/116) =======================q-point: ( 0.00 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( -5.441 4.890 5.280) 9.022 0.758 ( 5.429 2.419 -1.979) 6.265 0.853 ( -1.483 1.568 3.670) 4.258 0.911 ( 3.032 -0.540 -2.127) 3.743 1.036 ( -1.844 1.410 5.582) 6.045 1.118 ( 0.756 2.452 -2.109) 3.321 1.280 ( -0.515 -1.525 2.995) 3.400 1.350 ( 4.035 -5.104 -3.949) 7.611 1.453 ( -0.609 -1.608 3.878) 4.242 1.478 ( 0.376 -1.129 0.852) 1.463 1.582 ( -2.467 0.438 4.855) 5.463 1.652 ( 1.138 2.514 -1.387) 3.088 1.675 ( -1.346 0.328 2.583) 2.931 1.706 ( -0.215 0.683 -0.405) 0.823 1.817 ( -2.669 -0.002 3.060) 4.060 1.898 ( 2.432 -0.836 -4.001) 4.756 1.941 ( -3.307 2.366 2.543) 4.796 2.028 ( 4.452 4.272 -5.845) 8.499 2.321 ( -2.288 -2.730 2.295) 4.237 2.369 ( 1.495 -2.120 -2.696) 3.741 3.495 ( -0.956 2.747 0.651) 2.981 3.518 ( 0.985 3.087 -1.794) 3.704 3.796 ( -1.553 -2.449 2.530) 3.849 3.859 ( 1.791 -3.377 -3.850) 5.425 4.200 ( -0.808 0.320 1.171) 1.459 4.223 ( 0.886 -0.365 -1.149) 1.496 4.798 ( -1.402 -3.509 1.909) 4.233 4.823 ( 0.336 -3.598 -0.765) 3.693 5.223 ( 0.186 1.401 -0.337) 1.452 5.239 ( -0.027 1.408 -1.957) 2.411 5.572 ( -1.668 0.880 1.458) 2.384 5.591 ( 0.828 0.349 -0.523) 1.039 6.181 ( -1.276 1.231 0.905) 1.991 6.188 ( 0.318 0.885 0.244) 0.972 6.248 ( 0.363 2.732 1.567) 3.170 6.279 ( 2.083 1.768 -1.578) 3.156======================= Grid point 192 (102/116) =======================q-point: ( 0.12 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.647 ( -3.120 4.068 3.038) 5.959 0.818 ( 1.023 0.296 -1.121) 1.547 0.848 ( 1.254 3.254 -0.483) 3.521 0.925 ( 1.836 -0.421 -3.821) 4.260 1.050 ( -1.684 3.031 3.888) 5.210 1.107 ( -0.352 0.125 -1.838) 1.875 1.280 ( -0.273 0.189 -0.161) 0.369 1.348 ( 0.823 -5.344 -5.855) 7.970 1.444 ( -2.291 -0.689 1.268) 2.708 1.496 ( 0.407 -1.500 -0.343) 1.592 1.572 ( -3.094 0.327 3.397) 4.606 1.667 ( -1.345 -1.361 1.775) 2.610 1.670 ( 1.485 3.148 -0.380) 3.501 1.712 ( 0.639 1.289 0.357) 1.482 1.792 ( -3.517 -0.252 3.497) 4.966 1.887 ( -1.123 1.422 -0.522) 1.886 1.917 ( -0.574 0.465 -0.223) 0.772 2.050 ( 3.573 3.757 -4.813) 7.075 2.313 ( -1.378 -2.857 2.927) 4.316 2.383 ( 2.348 -2.133 -1.517) 3.516 3.490 ( -0.551 2.777 1.165) 3.061 3.527 ( 1.609 3.106 -1.346) 3.748 3.795 ( -1.439 -2.532 2.877) 4.093 3.858 ( 1.950 -3.269 -3.397) 5.101 4.197 ( -0.771 0.443 1.096) 1.411 4.227 ( 0.795 -0.467 -1.222) 1.531 4.793 ( -1.401 -2.909 2.268) 3.945 4.826 ( 0.570 -3.910 -0.354) 3.967 5.224 ( 0.015 1.720 -0.360) 1.757 5.228 ( 0.177 1.316 -0.088) 1.331 5.557 ( -1.577 1.025 1.713) 2.544 5.601 ( 0.630 0.145 -0.170) 0.669 6.145 ( -3.063 1.559 0.538) 3.479 6.177 ( -1.694 0.577 0.156) 1.796 6.272 ( 1.371 2.959 -0.283) 3.273 6.302 ( 2.738 1.802 -2.955) 4.413======================= Grid point 193 (103/116) =======================q-point: ( 0.25 0.29 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.621 ( -1.690 2.632 -0.231) 3.137 0.782 ( -1.917 0.235 -1.824) 2.656 0.856 ( 0.276 3.776 -4.415) 5.816 0.933 ( 3.752 0.810 -3.696) 5.328 1.050 ( -0.508 3.842 0.243) 3.883 1.068 ( -4.001 -1.895 2.315) 4.996 1.288 ( -1.116 -4.635 -5.024) 6.926 1.292 ( 2.899 0.762 -2.755) 4.071 1.398 ( -2.874 -1.453 -1.536) 3.568 1.474 ( -1.947 -1.539 -1.366) 2.832 1.550 ( -2.682 1.720 3.114) 4.455 1.661 ( -0.994 1.941 1.763) 2.804 1.691 ( 0.749 -0.086 -0.106) 0.762 1.726 ( 0.532 1.191 0.360) 1.353 1.768 ( -2.421 -0.498 2.824) 3.753 1.868 ( -0.792 1.315 0.082) 1.537 1.906 ( -0.664 0.114 0.237) 0.714 2.062 ( 2.456 2.809 -3.912) 5.406 2.324 ( -0.940 -3.284 3.831) 5.133 2.414 ( 2.401 -2.609 -1.249) 3.760 3.495 ( -0.445 2.887 1.673) 3.367 3.544 ( 1.727 3.188 -1.522) 3.932 3.798 ( -1.389 -2.469 3.080) 4.185 3.863 ( 2.082 -3.076 -3.065) 4.816 4.195 ( -0.593 0.498 1.089) 1.336 4.228 ( 0.701 -0.503 -1.342) 1.595 4.791 ( -1.358 -2.536 2.674) 3.927 4.834 ( 0.697 -4.158 -0.294) 4.227 5.224 ( 0.326 1.876 -0.072) 1.905 5.235 ( 0.004 1.135 0.864) 1.427 5.550 ( -1.174 1.076 1.963) 2.528 5.607 ( 0.060 0.059 -0.012) 0.086 6.097 ( -2.417 1.405 -0.215) 2.804 6.141 ( -2.219 0.020 -0.263) 2.234 6.284 ( 0.874 3.304 -1.426) 3.704 6.314 ( 1.992 2.203 -3.414) 4.525======================= Grid point 194 (104/116) =======================q-point: ( 0.38 0.29 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.582 ( -1.262 2.383 -2.465) 3.654 0.717 ( -1.000 2.380 -7.669) 8.092 0.825 ( 0.089 2.247 -0.505) 2.305 0.950 ( 0.253 1.373 -2.781) 3.112 1.015 ( -2.065 -0.677 1.234) 2.499 1.060 ( 0.009 3.327 1.187) 3.532 1.224 ( -1.397 -4.810 -2.747) 5.712 1.317 ( -0.828 -0.481 -1.204) 1.538 1.339 ( 1.339 -2.745 -4.186) 5.182 1.413 ( -3.712 -1.895 -0.852) 4.253 1.548 ( -1.148 4.503 4.419) 6.413 1.659 ( -0.962 4.390 0.831) 4.570 1.698 ( 0.129 -1.528 0.560) 1.633 1.734 ( 0.282 0.298 -0.360) 0.545 1.764 ( -0.406 -0.348 1.534) 1.625 1.850 ( -0.124 -0.482 -2.625) 2.672 1.912 ( -0.679 1.122 3.871) 4.087 2.061 ( 1.526 2.305 -3.974) 4.841 2.346 ( -0.951 -3.788 4.452) 5.922 2.436 ( 1.659 -3.188 -1.745) 3.995 3.503 ( -0.591 2.991 1.929) 3.608 3.555 ( 1.436 3.265 -2.123) 4.151 3.803 ( -1.315 -2.356 3.146) 4.144 3.871 ( 1.979 -2.948 -3.120) 4.727 4.196 ( -0.503 0.476 1.152) 1.344 4.227 ( 0.657 -0.483 -1.439) 1.654 4.795 ( -1.214 -2.546 2.968) 4.094 4.842 ( 0.642 -4.185 -0.679) 4.288 5.233 ( 0.694 1.848 0.127) 1.978 5.241 ( -0.124 1.177 0.726) 1.388 5.553 ( -0.732 1.100 2.182) 2.550 5.602 ( -0.399 0.216 -0.204) 0.497 6.066 ( -0.807 0.787 -0.322) 1.172 6.101 ( -1.935 -0.405 -0.442) 2.026 6.279 ( 0.153 3.521 -1.396) 3.791 6.308 ( 1.043 2.516 -3.401) 4.357======================= Grid point 195 (105/116) =======================q-point: (-0.50 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.547 ( -1.023 4.011 0.028) 4.140 0.630 ( -0.186 4.055 -7.873) 8.858 0.849 ( 1.135 1.013 2.334) 2.786 0.900 ( -1.959 0.820 -2.513) 3.290 0.995 ( -4.506 1.739 4.718) 6.752 1.084 ( 4.383 1.880 -4.123) 6.304 1.201 ( -1.482 -4.666 2.729) 5.605 1.263 ( -1.540 -3.786 -2.463) 4.773 1.328 ( -4.216 -1.408 1.273) 4.624 1.370 ( 2.232 -2.201 -1.924) 3.678 1.585 ( 0.122 6.156 4.563) 7.664 1.636 ( -1.789 5.271 -0.299) 5.575 1.709 ( 0.233 -0.909 0.978) 1.356 1.729 ( -0.003 -0.854 -1.166) 1.446 1.781 ( 1.025 -0.980 0.862) 1.660 1.827 ( 1.018 -0.572 -3.458) 3.649 1.945 ( -0.401 0.769 4.875) 4.952 2.043 ( 1.141 2.489 -4.869) 5.586 2.368 ( -1.432 -3.856 4.550) 6.134 2.438 ( 0.984 -3.676 -2.526) 4.568 3.509 ( -0.666 3.060 1.991) 3.711 3.556 ( 1.220 3.269 -2.620) 4.363 3.810 ( -1.271 -2.269 3.065) 4.020 3.874 ( 1.815 -2.930 -3.439) 4.869 4.198 ( -0.579 0.418 1.268) 1.455 4.224 ( 0.570 -0.431 -1.452) 1.618 4.803 ( -1.040 -2.996 2.947) 4.329 4.843 ( 0.558 -3.942 -1.223) 4.165 5.243 ( -0.102 1.367 0.155) 1.380 5.249 ( 1.190 1.596 -0.397) 2.030 5.564 ( -0.350 1.080 2.290) 2.556 5.592 ( -0.363 0.463 -0.544) 0.802 6.064 ( 0.365 -0.036 0.235) 0.435 6.072 ( -0.731 -0.297 -0.418) 0.893 6.268 ( -0.462 3.510 -0.245) 3.549 6.291 ( 0.248 2.712 -2.596) 3.762======================= Grid point 196 (106/116) =======================q-point: (-0.38 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.558 ( -0.240 5.061 4.426) 6.727 0.593 ( 1.866 4.651 -2.166) 5.459 0.849 ( -0.960 0.415 -1.252) 1.632 0.893 ( -0.451 1.934 2.396) 3.112 0.955 ( -4.093 2.161 4.896) 6.738 1.129 ( 4.931 0.152 -3.866) 6.268 1.191 ( -3.157 -5.000 3.111) 6.682 1.248 ( -0.534 -3.970 2.337) 4.638 1.281 ( -1.571 -0.934 1.819) 2.578 1.404 ( 1.796 -1.253 0.598) 2.270 1.595 ( -1.818 3.535 0.437) 4.000 1.627 ( -0.316 7.067 3.085) 7.717 1.710 ( -0.581 -1.493 -0.849) 1.813 1.724 ( 0.143 0.091 0.459) 0.490 1.806 ( 1.098 -1.231 0.273) 1.673 1.831 ( 3.195 -0.500 -3.745) 4.948 1.975 ( -0.939 0.246 3.687) 3.813 2.020 ( 1.692 2.858 -5.026) 6.024 2.376 ( -2.141 -3.424 3.957) 5.654 2.426 ( 0.672 -3.920 -3.194) 5.101 3.515 ( -0.658 3.097 1.741) 3.613 3.550 ( 1.008 3.213 -2.773) 4.363 3.814 ( -1.389 -2.201 2.760) 3.794 3.872 ( 1.806 -2.999 -3.762) 5.139 4.199 ( -0.634 0.337 1.362) 1.540 4.221 ( 0.486 -0.343 -1.355) 1.480 4.810 ( -1.038 -3.660 2.503) 4.554 4.840 ( 0.502 -3.611 -1.507) 3.945 5.240 ( 0.019 1.439 -0.593) 1.557 5.265 ( 1.494 1.100 -1.435) 2.345 5.577 ( -0.342 0.826 0.945) 1.301 5.586 ( 0.192 0.662 0.359) 0.777 6.062 ( 0.414 0.436 0.097) 0.609 6.091 ( 1.707 -0.474 0.572) 1.861 6.261 ( -0.851 3.274 1.237) 3.602 6.273 ( -0.391 2.815 -0.993) 3.010======================= Grid point 197 (107/116) =======================q-point: (-0.25 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.608 ( 2.910 3.785 1.841) 5.117 0.658 ( 1.882 5.042 7.104) 8.912 0.841 ( 0.626 -0.070 -0.209) 0.664 0.857 ( -4.986 3.899 3.135) 7.063 0.974 ( -0.524 0.599 5.427) 5.485 1.150 ( -0.372 0.865 -1.386) 1.676 1.199 ( 1.613 -4.824 2.777) 5.795 1.253 ( 0.401 -2.899 0.993) 3.091 1.322 ( 1.564 -1.414 4.516) 4.984 1.436 ( 0.421 -0.675 2.530) 2.652 1.579 ( -0.418 0.958 0.408) 1.122 1.644 ( -1.324 7.074 3.610) 8.051 1.690 ( -0.828 -1.909 -0.662) 2.184 1.728 ( -0.150 0.812 0.200) 0.849 1.822 ( 0.488 -1.043 0.307) 1.191 1.857 ( 3.681 -0.471 -3.923) 5.400 1.979 ( -0.438 0.820 0.421) 1.021 2.011 ( 1.456 2.864 -3.252) 4.571 2.367 ( -2.569 -3.003 3.008) 4.966 2.405 ( 0.437 -3.570 -3.626) 5.107 3.516 ( -0.823 3.021 1.157) 3.338 3.539 ( 0.625 3.161 -2.693) 4.199 3.811 ( -1.626 -2.186 2.374) 3.614 3.868 ( 1.888 -3.134 -3.978) 5.405 4.201 ( -0.610 0.247 1.369) 1.519 4.218 ( 0.575 -0.255 -1.222) 1.374 4.811 ( -1.179 -4.072 1.880) 4.638 4.834 ( 0.347 -3.431 -1.380) 3.714 5.233 ( 0.099 1.427 -1.023) 1.759 5.270 ( 1.125 0.690 -2.534) 2.857 5.575 ( 0.163 0.675 -0.326) 0.767 5.595 ( -0.298 0.543 0.999) 1.176 6.090 ( 2.430 1.102 0.505) 2.716 6.131 ( 2.227 -0.279 0.741) 2.363 6.257 ( -1.545 2.985 1.857) 3.840 6.263 ( -0.499 2.715 0.806) 2.876======================= Grid point 198 (108/116) =======================q-point: (-0.12 0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( 4.428 3.063 0.131) 5.385 0.722 ( -3.858 4.860 6.681) 9.118 0.824 ( -1.405 2.524 5.279) 6.017 0.871 ( 2.876 -0.085 -0.987) 3.041 1.011 ( -1.175 0.540 5.795) 5.938 1.129 ( -0.637 2.537 -0.770) 2.727 1.247 ( 0.322 -2.700 3.912) 4.764 1.297 ( 4.844 -4.383 -2.149) 6.877 1.396 ( 1.438 -1.482 5.585) 5.954 1.465 ( -0.077 -1.234 2.682) 2.953 1.580 ( -0.889 -0.040 1.867) 2.068 1.650 ( -1.469 6.418 3.041) 7.252 1.674 ( -0.242 -1.997 -0.292) 2.033 1.720 ( -0.725 0.666 -0.173) 1.000 1.827 ( -1.128 -0.260 1.845) 2.178 1.883 ( 3.656 -0.921 -4.363) 5.766 1.969 ( -2.163 1.583 1.941) 3.309 2.011 ( 3.364 3.872 -5.489) 7.512 2.345 ( -2.824 -2.810 2.439) 4.671 2.380 ( 0.721 -2.737 -3.705) 4.662 3.508 ( -1.109 2.852 0.655) 3.129 3.525 ( 0.527 3.120 -2.401) 3.972 3.803 ( -1.700 -2.287 2.253) 3.633 3.864 ( 1.844 -3.300 -4.040) 5.533 4.202 ( -0.684 0.228 1.291) 1.478 4.219 ( 0.795 -0.261 -1.151) 1.423 4.805 ( -1.331 -4.007 1.686) 4.547 4.827 ( 0.229 -3.414 -1.136) 3.605 5.226 ( 0.149 1.410 -0.930) 1.696 5.258 ( 0.382 0.893 -2.745) 2.912 5.578 ( 0.199 0.625 0.057) 0.659 5.591 ( -0.786 0.547 0.436) 1.052 6.145 ( 3.181 1.135 0.423) 3.404 6.174 ( 1.755 0.285 0.475) 1.840 6.245 ( -1.947 2.845 2.481) 4.248 6.266 ( 0.077 2.304 0.492) 2.357======================= Grid point 199 (109/116) =======================q-point: ( 0.00 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( -3.685 4.036 2.679) 6.087 0.804 ( 1.946 1.420 -0.283) 2.426 0.871 ( -0.962 0.492 2.233) 2.480 0.894 ( 1.921 -1.298 -0.444) 2.361 1.049 ( 0.254 1.449 2.995) 3.337 1.099 ( 1.493 -3.142 -1.293) 3.712 1.256 ( 1.556 -0.723 -0.014) 1.716 1.272 ( 2.580 -2.674 -1.899) 4.173 1.448 ( 0.240 1.193 3.088) 3.319 1.466 ( -0.213 0.041 1.291) 1.309 1.560 ( -0.952 -2.011 2.257) 3.169 1.586 ( -0.762 -4.266 -0.208) 4.339 1.759 ( -1.698 3.800 2.541) 4.876 1.801 ( 0.556 5.816 -0.291) 5.850 1.808 ( -2.181 -0.670 2.281) 3.226 1.875 ( 2.252 -1.928 -3.185) 4.352 2.008 ( -3.727 4.721 4.586) 7.564 2.076 ( 1.102 -0.528 -1.404) 1.861 2.284 ( -0.303 -0.091 -0.272) 0.417 2.321 ( 2.067 -2.841 -3.340) 4.848 3.546 ( -0.986 2.322 0.867) 2.667 3.563 ( 0.244 0.976 -0.763) 1.263 3.760 ( -0.386 -0.543 0.175) 0.688 3.791 ( 1.240 -3.270 -2.788) 4.472 4.209 ( -0.258 0.487 0.399) 0.680 4.217 ( 0.325 -0.333 -0.391) 0.608 4.757 ( -0.581 -0.756 0.929) 1.331 4.769 ( -0.003 -1.907 -0.313) 1.932 5.243 ( 0.175 0.710 -0.628) 0.964 5.250 ( 0.195 -0.028 -1.382) 1.396 5.585 ( -0.913 0.549 0.883) 1.384 5.592 ( 0.058 -0.172 0.172) 0.250 6.200 ( -0.358 0.617 0.546) 0.898 6.202 ( 0.033 0.427 0.393) 0.581 6.291 ( 0.647 1.590 0.856) 1.918 6.302 ( 1.174 0.460 -0.244) 1.284======================= Grid point 200 (110/116) =======================q-point: ( 0.12 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.732 ( -3.262 4.488 1.702) 5.803 0.801 ( -2.245 -2.347 0.696) 3.322 0.899 ( 2.508 1.881 0.398) 3.160 0.919 ( 1.838 -0.381 -1.340) 2.306 1.070 ( 0.095 1.209 0.427) 1.285 1.099 ( 0.670 -1.248 -3.042) 3.356 1.262 ( 1.069 -1.655 -3.248) 3.799 1.268 ( 0.556 -2.351 -3.964) 4.642 1.448 ( -1.646 1.727 0.014) 2.386 1.473 ( -0.225 -0.569 0.043) 0.614 1.556 ( -1.742 -1.717 1.934) 3.118 1.581 ( -0.155 -4.409 1.297) 4.599 1.753 ( -1.821 2.866 2.694) 4.334 1.785 ( -3.471 -0.698 3.678) 5.105 1.807 ( 0.953 5.947 -1.366) 6.176 1.879 ( 1.413 -1.881 -3.138) 3.922 1.983 ( -3.816 5.779 4.748) 8.397 2.078 ( -0.002 -2.146 -0.253) 2.160 2.286 ( 0.779 0.964 -0.471) 1.326 2.335 ( 2.531 -3.040 -2.566) 4.715 3.543 ( -0.499 2.592 1.445) 3.009 3.568 ( 0.797 0.587 -0.155) 1.002 3.759 ( -0.118 -0.432 0.565) 0.721 3.791 ( 1.521 -3.241 -2.293) 4.251 4.208 ( -0.268 0.616 0.344) 0.755 4.218 ( 0.282 -0.480 -0.457) 0.721 4.757 ( -0.454 -0.689 1.111) 1.383 4.769 ( 0.242 -1.899 -0.072) 1.915 5.243 ( 0.188 0.453 -0.049) 0.493 5.244 ( 0.240 0.341 -0.706) 0.820 5.578 ( -0.956 1.076 1.143) 1.838 5.596 ( -0.066 -0.683 0.458) 0.824 6.172 ( -2.635 1.124 0.092) 2.866 6.183 ( -2.156 -0.031 0.015) 2.156 6.317 ( 1.956 1.554 -0.911) 2.660 6.327 ( 2.396 0.572 -1.790) 3.045======================= Grid point 201 (111/116) =======================q-point: ( 0.25 0.43 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( -2.517 4.371 0.419) 5.061 0.763 ( -2.249 -2.549 0.235) 3.407 0.921 ( 0.810 2.951 -3.023) 4.302 0.950 ( 2.775 0.194 -0.896) 2.922 1.050 ( -2.386 0.148 -0.424) 2.428 1.067 ( -0.831 -1.162 -2.257) 2.671 1.227 ( 0.809 -0.595 -6.148) 6.229 1.262 ( 2.561 -3.343 -4.575) 6.218 1.397 ( -3.115 2.046 -2.062) 4.259 1.442 ( -2.634 -2.001 -1.458) 3.614 1.557 ( -0.403 -0.048 2.850) 2.878 1.599 ( 0.574 -4.202 1.927) 4.658 1.744 ( -2.098 1.739 2.644) 3.797 1.760 ( -3.398 -0.060 3.884) 5.161 1.809 ( 0.888 4.755 -1.577) 5.087 1.866 ( 0.535 -1.403 -3.212) 3.546 1.971 ( -2.730 6.262 5.087) 8.517 2.076 ( -0.130 -2.785 0.298) 2.804 2.297 ( 0.752 1.368 -0.148) 1.568 2.355 ( 2.244 -3.552 -2.250) 4.766 3.552 ( -0.386 2.845 1.875) 3.429 3.583 ( 0.857 0.261 0.012) 0.896 3.765 ( 0.061 -0.182 0.730) 0.755 3.800 ( 1.696 -3.202 -2.059) 4.168 4.207 ( -0.183 0.664 0.315) 0.757 4.218 ( 0.268 -0.543 -0.534) 0.808 4.761 ( -0.421 -0.538 1.252) 1.426 4.774 ( 0.378 -2.001 0.018) 2.037 5.246 ( 0.410 0.523 -0.149) 0.681 5.248 ( 0.190 0.282 0.401) 0.526 5.575 ( -0.782 1.357 1.385) 2.091 5.598 ( -0.289 -0.949 0.630) 1.175 6.124 ( -2.581 1.201 -0.508) 2.892 6.139 ( -2.529 -0.394 -0.531) 2.614 6.334 ( 1.468 1.710 -2.066) 3.057 6.344 ( 1.854 0.669 -2.681) 3.327======================= Grid point 202 (112/116) =======================q-point: ( 0.38 0.43 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.659 ( -1.230 5.103 -0.012) 5.249 0.736 ( -0.815 -1.790 -0.481) 2.025 0.878 ( -0.656 4.207 -5.355) 6.842 0.952 ( -0.964 -2.080 -4.190) 4.777 1.020 ( -0.427 1.343 2.157) 2.577 1.063 ( 0.512 -2.794 1.588) 3.254 1.184 ( 0.237 1.720 -5.337) 5.612 1.251 ( 0.702 -4.700 -5.350) 7.155 1.326 ( -2.030 1.407 -1.878) 3.103 1.370 ( -3.982 -2.701 -1.161) 4.950 1.594 ( 1.235 1.114 3.378) 3.765 1.635 ( 1.556 -3.321 1.751) 4.064 1.729 ( -2.325 1.286 2.356) 3.551 1.738 ( -2.642 -0.069 2.532) 3.660 1.808 ( 0.554 3.418 -1.311) 3.703 1.844 ( 0.450 -0.517 -3.183) 3.256 1.981 ( -1.791 6.068 5.474) 8.366 2.079 ( 0.222 -2.146 -0.109) 2.160 2.307 ( 0.238 0.841 0.490) 1.002 2.366 ( 1.505 -4.035 -2.469) 4.964 3.561 ( -0.575 2.932 1.989) 3.589 3.594 ( 0.547 0.201 -0.283) 0.647 3.773 ( 0.083 -0.022 0.657) 0.663 3.809 ( 1.591 -3.168 -2.243) 4.195 4.207 ( -0.133 0.621 0.328) 0.714 4.218 ( 0.261 -0.508 -0.573) 0.809 4.765 ( -0.453 -0.458 1.309) 1.459 4.780 ( 0.363 -2.102 -0.128) 2.137 5.254 ( 0.481 0.470 0.141) 0.687 5.255 ( 0.304 0.333 0.314) 0.549 5.577 ( -0.524 1.269 1.507) 2.038 5.597 ( -0.430 -0.768 0.576) 1.052 6.083 ( -1.474 0.826 -0.563) 1.781 6.095 ( -1.874 -0.429 -0.617) 2.019 6.332 ( 0.603 1.789 -2.148) 2.860 6.342 ( 0.901 0.737 -2.811) 3.043======================= Grid point 203 (113/116) =======================q-point: (-0.50 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.656 ( 0.119 6.411 1.437) 6.571 0.715 ( 0.158 2.629 -3.380) 4.285 0.841 ( 0.091 -0.461 -0.561) 0.732 0.886 ( -1.609 -2.683 -3.902) 5.001 1.038 ( -1.806 2.681 4.016) 5.156 1.094 ( 1.058 -2.801 1.512) 3.354 1.144 ( -0.489 1.281 -2.637) 2.972 1.189 ( -1.895 -3.079 -3.785) 5.234 1.301 ( -2.649 -1.082 0.317) 2.879 1.315 ( 1.431 -2.634 -1.128) 3.203 1.647 ( 0.938 0.830 2.531) 2.824 1.669 ( 0.668 -1.653 -0.021) 1.783 1.713 ( -1.419 0.511 1.837) 2.377 1.718 ( -1.208 0.076 1.969) 2.312 1.806 ( 0.372 2.626 -0.791) 2.767 1.829 ( 1.161 0.165 -2.950) 3.174 2.003 ( -1.613 5.305 5.493) 7.805 2.078 ( 0.387 -0.515 -1.317) 1.466 2.315 ( -0.235 -0.409 1.246) 1.332 2.363 ( 0.979 -4.102 -2.874) 5.103 3.568 ( -0.677 2.835 1.923) 3.492 3.597 ( 0.360 0.441 -0.695) 0.898 3.779 ( 0.004 -0.151 0.518) 0.540 3.813 ( 1.402 -3.081 -2.606) 4.272 4.208 ( -0.193 0.541 0.386) 0.692 4.217 ( 0.193 -0.418 -0.545) 0.714 4.768 ( -0.502 -0.523 1.220) 1.419 4.784 ( 0.291 -2.106 -0.373) 2.159 5.261 ( 0.178 0.579 0.035) 0.607 5.265 ( 0.735 0.171 -0.363) 0.837 5.583 ( -0.292 0.832 1.440) 1.689 5.594 ( -0.382 -0.254 0.344) 0.573 6.067 ( -0.127 0.198 -0.028) 0.237 6.069 ( -0.400 -0.078 -0.261) 0.484 6.319 ( -0.179 1.688 -1.123) 2.036 6.327 ( 0.048 0.856 -1.919) 2.102======================= Grid point 204 (114/116) =======================q-point: (-0.38 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.680 ( 0.701 6.589 0.497) 6.645 0.703 ( 1.819 5.439 -0.207) 5.739 0.836 ( -0.681 -1.688 -1.040) 2.097 0.870 ( 0.905 -3.912 2.974) 4.997 1.015 ( -4.441 3.786 3.493) 6.802 1.093 ( -4.174 -4.558 2.605) 6.707 1.130 ( 2.843 0.504 -2.616) 3.896 1.167 ( 0.348 -3.459 1.189) 3.674 1.288 ( 0.384 1.972 1.647) 2.597 1.351 ( 2.450 -3.833 0.745) 4.610 1.630 ( -2.455 0.813 -0.358) 2.610 1.663 ( -0.913 -2.615 -1.311) 3.065 1.731 ( 0.915 1.973 2.857) 3.591 1.742 ( 0.389 0.731 2.403) 2.542 1.809 ( 0.537 1.818 -0.370) 1.932 1.830 ( 2.178 -0.045 -3.268) 3.928 2.020 ( -1.935 4.368 4.722) 6.718 2.070 ( 0.711 0.857 -2.169) 2.438 2.320 ( -0.800 -1.395 1.596) 2.266 2.351 ( 0.936 -3.716 -3.267) 5.036 3.573 ( -0.738 2.612 1.636) 3.169 3.594 ( 0.254 0.818 -1.042) 1.349 3.782 ( -0.170 -0.416 0.299) 0.540 3.811 ( 1.309 -2.979 -2.915) 4.369 4.208 ( -0.242 0.459 0.450) 0.687 4.215 ( 0.137 -0.309 -0.461) 0.571 4.769 ( -0.599 -0.645 1.004) 1.336 4.784 ( 0.171 -2.049 -0.549) 2.128 5.261 ( 0.158 0.821 -0.614) 1.037 5.271 ( 0.733 -0.246 -1.074) 1.324 5.589 ( -0.306 0.440 0.558) 0.774 5.593 ( -0.095 0.045 0.703) 0.711 6.073 ( 1.057 0.620 0.393) 1.287 6.083 ( 1.495 -0.416 0.518) 1.636 6.308 ( -0.745 1.450 0.419) 1.683 6.312 ( -0.623 1.032 -0.321) 1.248======================= Grid point 205 (115/116) =======================q-point: (-0.25 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.704 ( 2.834 5.525 -0.794) 6.260 0.755 ( 2.041 2.707 2.260) 4.074 0.843 ( 0.665 1.418 2.346) 2.821 0.900 ( -2.329 -0.976 3.503) 4.318 0.985 ( -2.386 1.781 5.322) 6.098 1.059 ( -2.546 -5.815 3.655) 7.325 1.165 ( 3.515 -0.482 -2.021) 4.083 1.190 ( 0.639 -3.003 1.830) 3.574 1.334 ( 1.784 2.896 3.553) 4.919 1.403 ( 1.787 -3.223 2.294) 4.341 1.587 ( -1.932 0.620 -0.284) 2.049 1.631 ( -1.151 -3.529 -1.385) 3.962 1.761 ( -0.756 2.091 2.510) 3.353 1.770 ( 0.780 2.978 2.023) 3.683 1.813 ( 0.285 1.148 -0.222) 1.203 1.845 ( 2.864 -0.979 -3.254) 4.444 2.024 ( -1.877 3.905 3.623) 5.648 2.066 ( 1.058 1.172 -2.071) 2.604 2.314 ( -1.338 -1.578 1.268) 2.427 2.337 ( 1.085 -3.201 -3.591) 4.931 3.571 ( -1.003 2.354 1.105) 2.787 3.586 ( -0.015 1.130 -1.294) 1.718 3.778 ( -0.429 -0.562 -0.003) 0.708 3.805 ( 1.250 -3.012 -3.114) 4.508 4.208 ( -0.198 0.391 0.472) 0.645 4.214 ( 0.192 -0.220 -0.375) 0.475 4.766 ( -0.717 -0.713 0.803) 1.291 4.780 ( -0.007 -2.010 -0.584) 2.094 5.255 ( 0.133 0.948 -1.068) 1.434 5.270 ( 0.550 -0.521 -1.700) 1.861 5.588 ( -0.089 0.610 0.110) 0.626 5.597 ( -0.293 -0.280 0.672) 0.785 6.110 ( 2.556 0.997 0.777) 2.851 6.125 ( 2.495 -0.502 0.874) 2.691 6.300 ( -1.329 1.279 1.340) 2.279 6.301 ( -1.003 1.089 1.238) 1.930======================= Grid point 206 (116/116) =======================q-point: (-0.12 0.43 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.755 ( 3.441 4.056 -0.601) 5.353 0.796 ( -0.065 1.218 1.838) 2.206 0.871 ( -2.122 1.373 2.162) 3.326 0.875 ( -0.552 1.298 2.945) 3.265 1.014 ( -1.027 0.811 5.907) 6.050 1.075 ( 0.596 -5.175 2.282) 5.687 1.213 ( 3.285 -0.985 -0.485) 3.463 1.227 ( 2.700 -2.501 0.278) 3.691 1.399 ( 1.340 2.149 4.277) 4.971 1.447 ( 0.539 -1.513 2.691) 3.134 1.563 ( -1.156 -0.695 0.784) 1.560 1.604 ( -0.876 -4.125 -0.728) 4.279 1.764 ( -1.381 3.302 2.405) 4.312 1.792 ( 0.360 4.919 0.800) 4.996 1.816 ( -0.493 -0.215 0.936) 1.079 1.862 ( 2.558 -1.571 -3.182) 4.375 2.022 ( -2.472 3.941 4.005) 6.139 2.069 ( 1.496 0.777 -2.132) 2.718 2.299 ( -1.301 -1.087 0.466) 1.758 2.324 ( 1.393 -2.893 -3.726) 4.919 3.559 ( -1.244 2.216 0.706) 2.638 3.572 ( -0.144 1.206 -1.262) 1.752 3.768 ( -0.544 -0.563 -0.107) 0.790 3.797 ( 1.166 -3.182 -3.109) 4.599 4.209 ( -0.188 0.387 0.452) 0.624 4.215 ( 0.296 -0.217 -0.357) 0.512 4.760 ( -0.720 -0.739 0.779) 1.292 4.774 ( -0.111 -1.973 -0.503) 2.040 5.248 ( 0.147 0.906 -1.056) 1.399 5.261 ( 0.317 -0.415 -1.809) 1.883 5.588 ( -0.052 0.458 0.224) 0.513 5.594 ( -0.553 -0.143 0.471) 0.740 6.166 ( 2.824 0.899 0.663) 3.037 6.176 ( 2.336 -0.142 0.713) 2.447 6.289 ( -1.484 1.498 1.806) 2.777 6.297 ( -0.812 0.724 1.200) 1.620=================== 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 3/14112 10.0 10.877 25.122 17.730 0.000 -4.796 0.000 3/14112 20.0 3.624 8.658 6.394 0.000 -1.588 0.000 3/14112 30.0 2.239 5.219 4.096 0.000 -1.051 0.000 3/14112 40.0 1.653 3.812 3.086 0.000 -0.817 0.000 3/14112 50.0 1.319 3.029 2.493 0.000 -0.673 0.000 3/14112 60.0 1.101 2.522 2.095 0.000 -0.573 0.000 3/14112 70.0 0.946 2.163 1.808 0.000 -0.498 0.000 3/14112 80.0 0.831 1.896 1.591 0.000 -0.441 0.000 3/14112 90.0 0.741 1.688 1.421 0.000 -0.395 0.000 3/14112 100.0 0.668 1.522 1.284 0.000 -0.358 0.000 3/14112 110.0 0.609 1.386 1.171 0.000 -0.327 0.000 3/14112 120.0 0.560 1.272 1.076 0.000 -0.301 0.000 3/14112 130.0 0.518 1.176 0.996 0.000 -0.279 0.000 3/14112 140.0 0.482 1.093 0.927 0.000 -0.260 0.000 3/14112 150.0 0.450 1.021 0.866 0.000 -0.243 0.000 3/14112 160.0 0.423 0.958 0.813 0.000 -0.229 0.000 3/14112 170.0 0.399 0.903 0.767 0.000 -0.216 0.000 3/14112 180.0 0.377 0.853 0.725 0.000 -0.204 0.000 3/14112 190.0 0.357 0.809 0.687 0.000 -0.194 0.000 3/14112 200.0 0.340 0.769 0.654 0.000 -0.184 0.000 3/14112 210.0 0.324 0.733 0.623 0.000 -0.175 0.000 3/14112 220.0 0.309 0.700 0.595 0.000 -0.168 0.000 3/14112 230.0 0.296 0.670 0.570 0.000 -0.161 0.000 3/14112 240.0 0.284 0.642 0.546 0.000 -0.154 0.000 3/14112 250.0 0.273 0.617 0.525 0.000 -0.148 0.000 3/14112 260.0 0.263 0.593 0.505 0.000 -0.142 0.000 3/14112 270.0 0.253 0.571 0.486 0.000 -0.137 0.000 3/14112 280.0 0.244 0.551 0.469 0.000 -0.132 0.000 3/14112 290.0 0.236 0.532 0.453 0.000 -0.128 0.000 3/14112 300.0 0.228 0.515 0.438 0.000 -0.124 0.000 3/14112 310.0 0.221 0.498 0.424 0.000 -0.120 0.000 3/14112 320.0 0.214 0.483 0.411 0.000 -0.116 0.000 3/14112 330.0 0.207 0.468 0.399 0.000 -0.113 0.000 3/14112 340.0 0.201 0.455 0.387 0.000 -0.109 0.000 3/14112 350.0 0.196 0.442 0.376 0.000 -0.106 0.000 3/14112 360.0 0.190 0.429 0.366 0.000 -0.103 0.000 3/14112 370.0 0.185 0.418 0.356 0.000 -0.100 0.000 3/14112 380.0 0.180 0.407 0.347 0.000 -0.098 0.000 3/14112 390.0 0.176 0.397 0.338 0.000 -0.095 0.000 3/14112 400.0 0.171 0.387 0.330 0.000 -0.093 0.000 3/14112 410.0 0.167 0.377 0.322 0.000 -0.091 0.000 3/14112 420.0 0.163 0.368 0.314 0.000 -0.089 0.000 3/14112 430.0 0.160 0.360 0.307 0.000 -0.087 0.000 3/14112 440.0 0.156 0.352 0.300 0.000 -0.085 0.000 3/14112 450.0 0.153 0.344 0.293 0.000 -0.083 0.000 3/14112 460.0 0.149 0.337 0.287 0.000 -0.081 0.000 3/14112 470.0 0.146 0.329 0.281 0.000 -0.079 0.000 3/14112 480.0 0.143 0.323 0.275 0.000 -0.078 0.000 3/14112 490.0 0.140 0.316 0.269 0.000 -0.076 0.000 3/14112 500.0 0.137 0.310 0.264 0.000 -0.075 0.000 3/14112 510.0 0.135 0.304 0.259 0.000 -0.073 0.000 3/14112 520.0 0.132 0.298 0.254 0.000 -0.072 0.000 3/14112 530.0 0.130 0.292 0.249 0.000 -0.070 0.000 3/14112 540.0 0.127 0.287 0.245 0.000 -0.069 0.000 3/14112 550.0 0.125 0.282 0.240 0.000 -0.068 0.000 3/14112 560.0 0.123 0.277 0.236 0.000 -0.067 0.000 3/14112 570.0 0.121 0.272 0.232 0.000 -0.065 0.000 3/14112 580.0 0.119 0.267 0.228 0.000 -0.064 0.000 3/14112 590.0 0.117 0.263 0.224 0.000 -0.063 0.000 3/14112 600.0 0.115 0.258 0.220 0.000 -0.062 0.000 3/14112 610.0 0.113 0.254 0.217 0.000 -0.061 0.000 3/14112 620.0 0.111 0.250 0.213 0.000 -0.060 0.000 3/14112 630.0 0.109 0.246 0.210 0.000 -0.059 0.000 3/14112 640.0 0.107 0.242 0.207 0.000 -0.058 0.000 3/14112 650.0 0.106 0.239 0.203 0.000 -0.057 0.000 3/14112 660.0 0.104 0.235 0.200 0.000 -0.057 0.000 3/14112 670.0 0.103 0.231 0.197 0.000 -0.056 0.000 3/14112 680.0 0.101 0.228 0.194 0.000 -0.055 0.000 3/14112 690.0 0.100 0.225 0.192 0.000 -0.054 0.000 3/14112 700.0 0.098 0.222 0.189 0.000 -0.053 0.000 3/14112 710.0 0.097 0.218 0.186 0.000 -0.053 0.000 3/14112 720.0 0.096 0.215 0.184 0.000 -0.052 0.000 3/14112 730.0 0.094 0.213 0.181 0.000 -0.051 0.000 3/14112 740.0 0.093 0.210 0.179 0.000 -0.050 0.000 3/14112 750.0 0.092 0.207 0.176 0.000 -0.050 0.000 3/14112 760.0 0.091 0.204 0.174 0.000 -0.049 0.000 3/14112 770.0 0.089 0.202 0.172 0.000 -0.049 0.000 3/14112 780.0 0.088 0.199 0.170 0.000 -0.048 0.000 3/14112 790.0 0.087 0.196 0.167 0.000 -0.047 0.000 3/14112 800.0 0.086 0.194 0.165 0.000 -0.047 0.000 3/14112 810.0 0.085 0.192 0.163 0.000 -0.046 0.000 3/14112 820.0 0.084 0.189 0.161 0.000 -0.046 0.000 3/14112 830.0 0.083 0.187 0.159 0.000 -0.045 0.000 3/14112 840.0 0.082 0.185 0.158 0.000 -0.045 0.000 3/14112 850.0 0.081 0.183 0.156 0.000 -0.044 0.000 3/14112 860.0 0.080 0.180 0.154 0.000 -0.043 0.000 3/14112 870.0 0.079 0.178 0.152 0.000 -0.043 0.000 3/14112 880.0 0.078 0.176 0.150 0.000 -0.042 0.000 3/14112 890.0 0.077 0.174 0.149 0.000 -0.042 0.000 3/14112 900.0 0.077 0.172 0.147 0.000 -0.042 0.000 3/14112 910.0 0.076 0.171 0.145 0.000 -0.041 0.000 3/14112 920.0 0.075 0.169 0.144 0.000 -0.041 0.000 3/14112 930.0 0.074 0.167 0.142 0.000 -0.040 0.000 3/14112 940.0 0.073 0.165 0.141 0.000 -0.040 0.000 3/14112 950.0 0.072 0.163 0.139 0.000 -0.039 0.000 3/14112 960.0 0.072 0.162 0.138 0.000 -0.039 0.000 3/14112 970.0 0.071 0.160 0.136 0.000 -0.039 0.000 3/14112 980.0 0.070 0.158 0.135 0.000 -0.038 0.000 3/14112 990.0 0.070 0.157 0.134 0.000 -0.038 0.000 3/14112 1000.0 0.069 0.155 0.132 0.000 -0.037 0.000 3/14112Thermal conductivity related properties were written into "kappa-m877.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:58:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|