----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:32:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.005019104802390 0.000000000000000 0.000000000000000 b 0.000000000000000 6.833249960000000 0.000000000000000 c -4.087387919782008 0.000000000000000 10.111678851429106 Atomic positions (fractional): *1 O 0.28363397960530 0.99613156618207 0.65930218463053 15.999 2 O 0.71636602039470 0.49613156618207 0.84069781536947 15.999 3 O 0.71636602039470 0.00386843381793 0.34069781536947 15.999 4 O 0.28363397960530 0.50386843381793 0.15930218463053 15.999 *5 O 0.41422428091793 0.26653563261309 0.02845846982343 15.999 6 O 0.58577571908207 0.76653563261309 0.47154153017657 15.999 7 O 0.58577571908207 0.73346436738691 0.97154153017657 15.999 8 O 0.41422428091793 0.23346436738691 0.52845846982343 15.999 *9 O 0.19560931027555 0.97384460717589 0.36844541010321 15.999 10 O 0.80439068972445 0.47384460717589 0.13155458989679 15.999 11 O 0.80439068972445 0.02615539282411 0.63155458989679 15.999 12 O 0.19560931027555 0.52615539282411 0.86844541010321 15.999 *13 O 0.14624060275843 0.32647276292855 0.49111775067242 15.999 14 O 0.85375939724157 0.82647276292855 0.00888224932758 15.999 15 O 0.85375939724157 0.67352723707145 0.50888224932758 15.999 16 O 0.14624060275843 0.17352723707145 0.99111775067242 15.999 *17 Ge 0.26021407903364 0.12951179733748 0.51121724292670 72.640 18 Ge 0.73978592096636 0.62951179733748 0.98878275707330 72.640 19 Ge 0.73978592096636 0.87048820266252 0.48878275707330 72.640 20 Ge 0.26021407903364 0.37048820266252 0.01121724292670 72.640 *21 Rb 0.07847122440602 0.31437577090784 0.20786752157813 85.468 22 Rb 0.92152877559399 0.81437577090784 0.29213247842187 85.468 23 Rb 0.92152877559399 0.68562422909216 0.79213247842187 85.468 24 Rb 0.07847122440602 0.18562422909216 0.70786752157813 85.468 *25 Rb 0.43531055812193 0.08721679262848 0.29838252688595 85.468 26 Rb 0.56468944187807 0.58721679262848 0.20161747311405 85.468 27 Rb 0.56468944187807 0.91278320737152 0.70161747311405 85.468 28 Rb 0.43531055812193 0.41278320737152 0.79838252688595 85.468 *29 Rb 0.12859936302990 0.82987745401883 0.10957551771676 85.468 30 Rb 0.87140063697010 0.32987745401883 0.39042448228324 85.468 31 Rb 0.87140063697010 0.17012254598117 0.89042448228324 85.468 32 Rb 0.12859936302990 0.67012254598117 0.60957551771676 85.468 *33 Rb 0.65755951840269 0.11223595418255 0.08049063238152 85.468 34 Rb 0.34244048159731 0.61223595418255 0.41950936761848 85.468 35 Rb 0.34244048159731 0.88776404581745 0.91950936761848 85.468 36 Rb 0.65755951840269 0.38776404581745 0.58049063238152 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.005019104802390 0.000000000000000 0.000000000000000 b 0.000000000000000 6.833249960000000 0.000000000000000 c -4.087387919782008 0.000000000000000 10.111678851429106 Atomic positions (fractional): *1 O 0.28363397960530 0.99613156618207 0.65930218463053 15.999 > 1 2 O 0.71636602039470 0.49613156618207 0.84069781536947 15.999 > 2 3 O 0.71636602039470 0.00386843381793 0.34069781536947 15.999 > 3 4 O 0.28363397960530 0.50386843381793 0.15930218463053 15.999 > 4 *5 O 0.41422428091793 0.26653563261309 0.02845846982343 15.999 > 5 6 O 0.58577571908207 0.76653563261309 0.47154153017657 15.999 > 6 7 O 0.58577571908207 0.73346436738691 0.97154153017657 15.999 > 7 8 O 0.41422428091793 0.23346436738691 0.52845846982343 15.999 > 8 *9 O 0.19560931027555 0.97384460717589 0.36844541010321 15.999 > 9 10 O 0.80439068972445 0.47384460717589 0.13155458989679 15.999 > 10 11 O 0.80439068972445 0.02615539282411 0.63155458989679 15.999 > 11 12 O 0.19560931027555 0.52615539282411 0.86844541010321 15.999 > 12 *13 O 0.14624060275843 0.32647276292855 0.49111775067242 15.999 > 13 14 O 0.85375939724157 0.82647276292855 0.00888224932758 15.999 > 14 15 O 0.85375939724157 0.67352723707145 0.50888224932758 15.999 > 15 16 O 0.14624060275843 0.17352723707145 0.99111775067242 15.999 > 16 *17 Ge 0.26021407903364 0.12951179733748 0.51121724292670 72.640 > 17 18 Ge 0.73978592096636 0.62951179733748 0.98878275707330 72.640 > 18 19 Ge 0.73978592096636 0.87048820266252 0.48878275707330 72.640 > 19 20 Ge 0.26021407903364 0.37048820266252 0.01121724292670 72.640 > 20 *21 Rb 0.07847122440602 0.31437577090784 0.20786752157813 85.468 > 21 22 Rb 0.92152877559399 0.81437577090784 0.29213247842187 85.468 > 22 23 Rb 0.92152877559399 0.68562422909216 0.79213247842187 85.468 > 23 24 Rb 0.07847122440602 0.18562422909216 0.70786752157813 85.468 > 24 *25 Rb 0.43531055812193 0.08721679262848 0.29838252688595 85.468 > 25 26 Rb 0.56468944187807 0.58721679262848 0.20161747311405 85.468 > 26 27 Rb 0.56468944187807 0.91278320737152 0.70161747311405 85.468 > 27 28 Rb 0.43531055812193 0.41278320737152 0.79838252688595 85.468 > 28 *29 Rb 0.12859936302990 0.82987745401883 0.10957551771676 85.468 > 29 30 Rb 0.87140063697010 0.32987745401883 0.39042448228324 85.468 > 30 31 Rb 0.87140063697010 0.17012254598117 0.89042448228324 85.468 > 31 32 Rb 0.12859936302990 0.67012254598117 0.60957551771676 85.468 > 32 *33 Rb 0.65755951840269 0.11223595418255 0.08049063238152 85.468 > 33 34 Rb 0.34244048159731 0.61223595418255 0.41950936761848 85.468 > 34 35 Rb 0.34244048159731 0.88776404581745 0.91950936761848 85.468 > 35 36 Rb 0.65755951840269 0.38776404581745 0.58049063238152 85.468 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.005019104802390 0.000000000000000 0.000000000000000 b 0.000000000000000 13.666499920000000 0.000000000000000 c -8.174775839564017 0.000000000000000 20.223357702858213 Atomic positions (fractional): *1 O 0.28363397960530 0.49806578309103 0.32965109231526 15.999 > 1 2 O 0.28363397960530 0.99806578309103 0.32965109231526 15.999 > 1 3 O 0.28363397960530 0.49806578309103 0.82965109231526 15.999 > 1 4 O 0.28363397960530 0.99806578309103 0.82965109231526 15.999 > 1 5 O 0.71636602039470 0.24806578309103 0.42034890768474 15.999 > 2 6 O 0.71636602039470 0.74806578309103 0.42034890768474 15.999 > 2 7 O 0.71636602039470 0.24806578309103 0.92034890768474 15.999 > 2 8 O 0.71636602039470 0.74806578309103 0.92034890768474 15.999 > 2 9 O 0.71636602039470 0.00193421690897 0.17034890768474 15.999 > 3 10 O 0.71636602039470 0.50193421690897 0.17034890768474 15.999 > 3 11 O 0.71636602039470 0.00193421690897 0.67034890768474 15.999 > 3 12 O 0.71636602039470 0.50193421690897 0.67034890768474 15.999 > 3 13 O 0.28363397960530 0.25193421690897 0.07965109231526 15.999 > 4 14 O 0.28363397960530 0.75193421690897 0.07965109231526 15.999 > 4 15 O 0.28363397960530 0.25193421690897 0.57965109231526 15.999 > 4 16 O 0.28363397960530 0.75193421690897 0.57965109231526 15.999 > 4 *17 O 0.41422428091793 0.13326781630654 0.01422923491172 15.999 > 5 18 O 0.41422428091793 0.63326781630654 0.01422923491172 15.999 > 5 19 O 0.41422428091793 0.13326781630654 0.51422923491172 15.999 > 5 20 O 0.41422428091793 0.63326781630654 0.51422923491172 15.999 > 5 21 O 0.58577571908207 0.38326781630654 0.23577076508828 15.999 > 6 22 O 0.58577571908207 0.88326781630654 0.23577076508828 15.999 > 6 23 O 0.58577571908207 0.38326781630654 0.73577076508828 15.999 > 6 24 O 0.58577571908207 0.88326781630654 0.73577076508828 15.999 > 6 25 O 0.58577571908207 0.36673218369346 0.48577076508828 15.999 > 7 26 O 0.58577571908207 0.86673218369346 0.48577076508828 15.999 > 7 27 O 0.58577571908207 0.36673218369346 0.98577076508828 15.999 > 7 28 O 0.58577571908207 0.86673218369346 0.98577076508828 15.999 > 7 29 O 0.41422428091793 0.11673218369346 0.26422923491172 15.999 > 8 30 O 0.41422428091793 0.61673218369346 0.26422923491172 15.999 > 8 31 O 0.41422428091793 0.11673218369346 0.76422923491172 15.999 > 8 32 O 0.41422428091793 0.61673218369346 0.76422923491172 15.999 > 8 *33 O 0.19560931027555 0.48692230358795 0.18422270505161 15.999 > 9 34 O 0.19560931027555 0.98692230358795 0.18422270505161 15.999 > 9 35 O 0.19560931027555 0.48692230358795 0.68422270505161 15.999 > 9 36 O 0.19560931027555 0.98692230358795 0.68422270505161 15.999 > 9 37 O 0.80439068972445 0.23692230358794 0.06577729494839 15.999 > 10 38 O 0.80439068972445 0.73692230358794 0.06577729494839 15.999 > 10 39 O 0.80439068972445 0.23692230358794 0.56577729494839 15.999 > 10 40 O 0.80439068972445 0.73692230358794 0.56577729494839 15.999 > 10 41 O 0.80439068972445 0.01307769641205 0.31577729494839 15.999 > 11 42 O 0.80439068972445 0.51307769641206 0.31577729494839 15.999 > 11 43 O 0.80439068972445 0.01307769641205 0.81577729494839 15.999 > 11 44 O 0.80439068972445 0.51307769641206 0.81577729494839 15.999 > 11 45 O 0.19560931027555 0.26307769641205 0.43422270505161 15.999 > 12 46 O 0.19560931027555 0.76307769641205 0.43422270505161 15.999 > 12 47 O 0.19560931027555 0.26307769641205 0.93422270505161 15.999 > 12 48 O 0.19560931027555 0.76307769641205 0.93422270505161 15.999 > 12 *49 O 0.14624060275843 0.16323638146428 0.24555887533621 15.999 > 13 50 O 0.14624060275843 0.66323638146428 0.24555887533621 15.999 > 13 51 O 0.14624060275843 0.16323638146428 0.74555887533621 15.999 > 13 52 O 0.14624060275843 0.66323638146428 0.74555887533621 15.999 > 13 53 O 0.85375939724157 0.41323638146428 0.00444112466379 15.999 > 14 54 O 0.85375939724157 0.91323638146428 0.00444112466379 15.999 > 14 55 O 0.85375939724157 0.41323638146428 0.50444112466379 15.999 > 14 56 O 0.85375939724157 0.91323638146428 0.50444112466379 15.999 > 14 57 O 0.85375939724157 0.33676361853572 0.25444112466379 15.999 > 15 58 O 0.85375939724157 0.83676361853572 0.25444112466379 15.999 > 15 59 O 0.85375939724157 0.33676361853572 0.75444112466379 15.999 > 15 60 O 0.85375939724157 0.83676361853572 0.75444112466379 15.999 > 15 61 O 0.14624060275843 0.08676361853572 0.49555887533621 15.999 > 16 62 O 0.14624060275843 0.58676361853572 0.49555887533621 15.999 > 16 63 O 0.14624060275843 0.08676361853572 0.99555887533621 15.999 > 16 64 O 0.14624060275843 0.58676361853572 0.99555887533621 15.999 > 16 *65 Ge 0.26021407903364 0.06475589866874 0.25560862146335 72.640 > 17 66 Ge 0.26021407903364 0.56475589866874 0.25560862146335 72.640 > 17 67 Ge 0.26021407903364 0.06475589866874 0.75560862146335 72.640 > 17 68 Ge 0.26021407903364 0.56475589866874 0.75560862146335 72.640 > 17 69 Ge 0.73978592096636 0.31475589866874 0.49439137853665 72.640 > 18 70 Ge 0.73978592096636 0.81475589866874 0.49439137853665 72.640 > 18 71 Ge 0.73978592096636 0.31475589866874 0.99439137853665 72.640 > 18 72 Ge 0.73978592096636 0.81475589866874 0.99439137853665 72.640 > 18 73 Ge 0.73978592096636 0.43524410133126 0.24439137853665 72.640 > 19 74 Ge 0.73978592096636 0.93524410133126 0.24439137853665 72.640 > 19 75 Ge 0.73978592096636 0.43524410133126 0.74439137853665 72.640 > 19 76 Ge 0.73978592096636 0.93524410133126 0.74439137853665 72.640 > 19 77 Ge 0.26021407903364 0.18524410133126 0.00560862146335 72.640 > 20 78 Ge 0.26021407903364 0.68524410133126 0.00560862146335 72.640 > 20 79 Ge 0.26021407903364 0.18524410133126 0.50560862146335 72.640 > 20 80 Ge 0.26021407903364 0.68524410133126 0.50560862146335 72.640 > 20 *81 Rb 0.07847122440602 0.15718788545392 0.10393376078906 85.468 > 21 82 Rb 0.07847122440602 0.65718788545392 0.10393376078906 85.468 > 21 83 Rb 0.07847122440602 0.15718788545392 0.60393376078906 85.468 > 21 84 Rb 0.07847122440602 0.65718788545392 0.60393376078906 85.468 > 21 85 Rb 0.92152877559399 0.40718788545392 0.14606623921094 85.468 > 22 86 Rb 0.92152877559399 0.90718788545392 0.14606623921094 85.468 > 22 87 Rb 0.92152877559399 0.40718788545392 0.64606623921094 85.468 > 22 88 Rb 0.92152877559399 0.90718788545392 0.64606623921094 85.468 > 22 89 Rb 0.92152877559399 0.34281211454608 0.39606623921094 85.468 > 23 90 Rb 0.92152877559399 0.84281211454608 0.39606623921094 85.468 > 23 91 Rb 0.92152877559399 0.34281211454608 0.89606623921094 85.468 > 23 92 Rb 0.92152877559399 0.84281211454608 0.89606623921094 85.468 > 23 93 Rb 0.07847122440602 0.09281211454608 0.35393376078906 85.468 > 24 94 Rb 0.07847122440602 0.59281211454608 0.35393376078906 85.468 > 24 95 Rb 0.07847122440602 0.09281211454608 0.85393376078906 85.468 > 24 96 Rb 0.07847122440602 0.59281211454608 0.85393376078906 85.468 > 24 *97 Rb 0.43531055812193 0.04360839631424 0.14919126344297 85.468 > 25 98 Rb 0.43531055812193 0.54360839631424 0.14919126344297 85.468 > 25 99 Rb 0.43531055812193 0.04360839631424 0.64919126344297 85.468 > 25 100 Rb 0.43531055812193 0.54360839631424 0.64919126344297 85.468 > 25 101 Rb 0.56468944187807 0.29360839631424 0.10080873655703 85.468 > 26 102 Rb 0.56468944187807 0.79360839631424 0.10080873655703 85.468 > 26 103 Rb 0.56468944187807 0.29360839631424 0.60080873655703 85.468 > 26 104 Rb 0.56468944187807 0.79360839631424 0.60080873655703 85.468 > 26 105 Rb 0.56468944187807 0.45639160368576 0.35080873655703 85.468 > 27 106 Rb 0.56468944187807 0.95639160368576 0.35080873655703 85.468 > 27 107 Rb 0.56468944187807 0.45639160368576 0.85080873655703 85.468 > 27 108 Rb 0.56468944187807 0.95639160368576 0.85080873655703 85.468 > 27 109 Rb 0.43531055812193 0.20639160368576 0.39919126344297 85.468 > 28 110 Rb 0.43531055812193 0.70639160368576 0.39919126344297 85.468 > 28 111 Rb 0.43531055812193 0.20639160368576 0.89919126344297 85.468 > 28 112 Rb 0.43531055812193 0.70639160368576 0.89919126344297 85.468 > 28 *113 Rb 0.12859936302990 0.41493872700941 0.05478775885838 85.468 > 29 114 Rb 0.12859936302990 0.91493872700941 0.05478775885838 85.468 > 29 115 Rb 0.12859936302990 0.41493872700941 0.55478775885838 85.468 > 29 116 Rb 0.12859936302990 0.91493872700941 0.55478775885838 85.468 > 29 117 Rb 0.87140063697010 0.16493872700941 0.19521224114162 85.468 > 30 118 Rb 0.87140063697010 0.66493872700941 0.19521224114162 85.468 > 30 119 Rb 0.87140063697010 0.16493872700941 0.69521224114162 85.468 > 30 120 Rb 0.87140063697010 0.66493872700941 0.69521224114162 85.468 > 30 121 Rb 0.87140063697010 0.08506127299059 0.44521224114162 85.468 > 31 122 Rb 0.87140063697010 0.58506127299059 0.44521224114162 85.468 > 31 123 Rb 0.87140063697010 0.08506127299059 0.94521224114162 85.468 > 31 124 Rb 0.87140063697010 0.58506127299059 0.94521224114162 85.468 > 31 125 Rb 0.12859936302990 0.33506127299059 0.30478775885838 85.468 > 32 126 Rb 0.12859936302990 0.83506127299059 0.30478775885838 85.468 > 32 127 Rb 0.12859936302990 0.33506127299059 0.80478775885838 85.468 > 32 128 Rb 0.12859936302990 0.83506127299059 0.80478775885838 85.468 > 32 *129 Rb 0.65755951840269 0.05611797709128 0.04024531619076 85.468 > 33 130 Rb 0.65755951840269 0.55611797709128 0.04024531619076 85.468 > 33 131 Rb 0.65755951840269 0.05611797709128 0.54024531619076 85.468 > 33 132 Rb 0.65755951840269 0.55611797709128 0.54024531619076 85.468 > 33 133 Rb 0.34244048159731 0.30611797709128 0.20975468380924 85.468 > 34 134 Rb 0.34244048159731 0.80611797709128 0.20975468380924 85.468 > 34 135 Rb 0.34244048159731 0.30611797709128 0.70975468380924 85.468 > 34 136 Rb 0.34244048159731 0.80611797709128 0.70975468380924 85.468 > 34 137 Rb 0.34244048159731 0.44388202290872 0.45975468380924 85.468 > 35 138 Rb 0.34244048159731 0.94388202290872 0.45975468380924 85.468 > 35 139 Rb 0.34244048159731 0.44388202290872 0.95975468380924 85.468 > 35 140 Rb 0.34244048159731 0.94388202290872 0.95975468380924 85.468 > 35 141 Rb 0.65755951840269 0.19388202290872 0.29024531619076 85.468 > 36 142 Rb 0.65755951840269 0.69388202290872 0.29024531619076 85.468 > 36 143 Rb 0.65755951840269 0.19388202290872 0.79024531619076 85.468 > 36 144 Rb 0.65755951840269 0.69388202290872 0.79024531619076 85.468 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9406955 0.0000000 -0.0195958 0.0000000 2.9579249 0.0000000 -0.0195959 0.0000000 2.9811035 -------------------------- Born effective charges -------------------------- 1 O -1.6230476 -0.1141640 0.2146592 -0.1477772 -1.7985369 0.4641265 0.2385845 0.4036517 -2.1865178 2 O -1.6230476 0.1141640 0.2146592 0.1477772 -1.7985369 -0.4641265 0.2385845 -0.4036517 -2.1865178 3 O -1.6230476 -0.1141640 0.2146592 -0.1477772 -1.7985369 0.4641265 0.2385845 0.4036517 -2.1865178 4 O -1.6230476 0.1141640 0.2146592 0.1477772 -1.7985369 -0.4641265 0.2385845 -0.4036517 -2.1865178 5 O -2.3186440 0.3338787 -0.0726510 0.3532125 -1.6977761 0.0091077 -0.0532833 0.0196128 -1.5701906 6 O -2.3186440 -0.3338787 -0.0726510 -0.3532125 -1.6977761 -0.0091077 -0.0532833 -0.0196128 -1.5701906 7 O -2.3186440 0.3338787 -0.0726510 0.3532125 -1.6977761 0.0091077 -0.0532833 0.0196128 -1.5701906 8 O -2.3186440 -0.3338787 -0.0726510 -0.3532125 -1.6977761 -0.0091077 -0.0532833 -0.0196128 -1.5701906 9 O -1.4865312 -0.0409464 -0.0603537 -0.0166102 -1.9258435 -0.4853437 -0.0656937 -0.4468029 -2.2103447 10 O -1.4865312 0.0409464 -0.0603537 0.0166102 -1.9258435 0.4853437 -0.0656937 0.4468029 -2.2103447 11 O -1.4865312 -0.0409464 -0.0603537 -0.0166102 -1.9258435 -0.4853437 -0.0656937 -0.4468029 -2.2103447 12 O -1.4865312 0.0409464 -0.0603537 0.0166102 -1.9258435 0.4853437 -0.0656937 0.4468029 -2.2103447 13 O -1.9814667 0.5072601 0.0308143 0.5347287 -2.0468621 0.0426793 -0.0087943 0.0612399 -1.6401730 14 O -1.9814667 -0.5072601 0.0308143 -0.5347287 -2.0468621 -0.0426793 -0.0087943 -0.0612399 -1.6401730 15 O -1.9814667 0.5072601 0.0308143 0.5347287 -2.0468621 0.0426793 -0.0087943 0.0612399 -1.6401730 16 O -1.9814667 -0.5072601 0.0308143 -0.5347287 -2.0468621 -0.0426793 -0.0087943 -0.0612399 -1.6401730 17 Ge 2.6166056 -0.0094089 0.0167322 -0.0293544 2.6723660 -0.0208060 -0.0026082 0.0067324 2.7619796 18 Ge 2.6166056 0.0094089 0.0167322 0.0293544 2.6723660 0.0208060 -0.0026082 -0.0067324 2.7619796 19 Ge 2.6166056 -0.0094089 0.0167322 -0.0293544 2.6723660 -0.0208060 -0.0026082 0.0067324 2.7619796 20 Ge 2.6166056 0.0094089 0.0167322 0.0293544 2.6723660 0.0208060 -0.0026082 -0.0067324 2.7619796 21 Rb 1.2412359 -0.0358010 -0.0891829 -0.0461711 1.0397227 -0.0938346 -0.0821930 -0.1183191 1.3002344 22 Rb 1.2412359 0.0358010 -0.0891829 0.0461711 1.0397227 0.0938346 -0.0821930 0.1183191 1.3002344 23 Rb 1.2412359 -0.0358010 -0.0891829 -0.0461711 1.0397227 -0.0938346 -0.0821930 -0.1183191 1.3002344 24 Rb 1.2412359 0.0358010 -0.0891829 0.0461711 1.0397227 0.0938346 -0.0821930 0.1183191 1.3002344 25 Rb 1.2592901 -0.1519990 -0.0607051 -0.1454790 1.0601220 -0.1563744 -0.0451636 -0.1756334 1.2967221 26 Rb 1.2592901 0.1519990 -0.0607051 0.1454790 1.0601220 0.1563744 -0.0451636 0.1756334 1.2967221 27 Rb 1.2592901 -0.1519990 -0.0607051 -0.1454790 1.0601220 -0.1563744 -0.0451636 -0.1756334 1.2967221 28 Rb 1.2592901 0.1519990 -0.0607051 0.1454790 1.0601220 0.1563744 -0.0451636 0.1756334 1.2967221 29 Rb 1.1350965 -0.0646303 0.0364352 -0.0767508 1.3106812 0.0018427 0.0246273 0.0246162 1.1420628 30 Rb 1.1350965 0.0646303 0.0364352 0.0767508 1.3106812 -0.0018427 0.0246273 -0.0246162 1.1420628 31 Rb 1.1350965 -0.0646303 0.0364352 -0.0767508 1.3106812 0.0018427 0.0246273 0.0246162 1.1420628 32 Rb 1.1350965 0.0646303 0.0364352 0.0767508 1.3106812 -0.0018427 0.0246273 -0.0246162 1.1420628 33 Rb 1.1574614 -0.0830837 -0.0157481 -0.0565062 1.3861266 -0.0155653 -0.0054757 -0.0265534 1.1062273 34 Rb 1.1574614 0.0830837 -0.0157481 0.0565062 1.3861266 0.0155653 -0.0054757 0.0265534 1.1062273 35 Rb 1.1574614 -0.0830837 -0.0157481 -0.0565062 1.3861266 -0.0155653 -0.0054757 -0.0265534 1.1062273 36 Rb 1.1574614 0.0830837 -0.0157481 0.0565062 1.3861266 0.0155653 -0.0054757 0.0265534 1.1062273 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5860), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.975 Solver_block: 200 / 1120 - Time: 1.772 Solver_block: 300 / 1120 - Time: 1.767 Solver_block: 400 / 1120 - Time: 1.773 Solver_block: 500 / 1120 - Time: 1.772 Solver_block: 600 / 1120 - Time: 1.768 Solver_block: 700 / 1120 - Time: 1.770 Solver_block: 800 / 1120 - Time: 1.771 Solver_block: 900 / 1120 - Time: 1.776 Solver_block: 1000 / 1120 - Time: 1.769 Solver_block: 1100 / 1120 - Time: 1.768 Solver_block: 1120 / 1120 - Time: 0.513 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.704 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5860), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:33:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:33:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.005019104802390 0.000000000000000 0.000000000000000 b 0.000000000000000 6.833249960000000 0.000000000000000 c -4.087387919782008 0.000000000000000 10.111678851429106 Atomic positions (fractional): 1 O 0.28363397960530 0.99613156618207 0.65930218463053 15.999 2 O 0.71636602039470 0.49613156618207 0.84069781536947 15.999 3 O 0.71636602039470 0.00386843381793 0.34069781536947 15.999 4 O 0.28363397960530 0.50386843381793 0.15930218463053 15.999 5 O 0.41422428091793 0.26653563261309 0.02845846982343 15.999 6 O 0.58577571908207 0.76653563261309 0.47154153017657 15.999 7 O 0.58577571908207 0.73346436738691 0.97154153017657 15.999 8 O 0.41422428091793 0.23346436738691 0.52845846982343 15.999 9 O 0.19560931027555 0.97384460717589 0.36844541010321 15.999 10 O 0.80439068972445 0.47384460717589 0.13155458989679 15.999 11 O 0.80439068972445 0.02615539282411 0.63155458989679 15.999 12 O 0.19560931027555 0.52615539282411 0.86844541010321 15.999 13 O 0.14624060275843 0.32647276292855 0.49111775067242 15.999 14 O 0.85375939724157 0.82647276292855 0.00888224932758 15.999 15 O 0.85375939724157 0.67352723707145 0.50888224932758 15.999 16 O 0.14624060275843 0.17352723707145 0.99111775067242 15.999 17 Ge 0.26021407903364 0.12951179733748 0.51121724292670 72.640 18 Ge 0.73978592096636 0.62951179733748 0.98878275707330 72.640 19 Ge 0.73978592096636 0.87048820266252 0.48878275707330 72.640 20 Ge 0.26021407903364 0.37048820266252 0.01121724292670 72.640 21 Rb 0.07847122440602 0.31437577090784 0.20786752157813 85.468 22 Rb 0.92152877559399 0.81437577090784 0.29213247842187 85.468 23 Rb 0.92152877559399 0.68562422909216 0.79213247842187 85.468 24 Rb 0.07847122440602 0.18562422909216 0.70786752157813 85.468 25 Rb 0.43531055812193 0.08721679262848 0.29838252688595 85.468 26 Rb 0.56468944187807 0.58721679262848 0.20161747311405 85.468 27 Rb 0.56468944187807 0.91278320737152 0.70161747311405 85.468 28 Rb 0.43531055812193 0.41278320737152 0.79838252688595 85.468 29 Rb 0.12859936302990 0.82987745401883 0.10957551771676 85.468 30 Rb 0.87140063697010 0.32987745401883 0.39042448228324 85.468 31 Rb 0.87140063697010 0.17012254598117 0.89042448228324 85.468 32 Rb 0.12859936302990 0.67012254598117 0.60957551771676 85.468 33 Rb 0.65755951840269 0.11223595418255 0.08049063238152 85.468 34 Rb 0.34244048159731 0.61223595418255 0.41950936761848 85.468 35 Rb 0.34244048159731 0.88776404581745 0.91950936761848 85.468 36 Rb 0.65755951840269 0.38776404581745 0.58049063238152 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.005019104802390 0.000000000000000 0.000000000000000 b 0.000000000000000 13.666499920000000 0.000000000000000 c -8.174775839564017 0.000000000000000 20.223357702858213 Atomic positions (fractional): 1 O 0.28363397960530 0.49806578309103 0.32965109231526 15.999 > 1 2 O 0.28363397960530 0.99806578309103 0.32965109231526 15.999 > 1 3 O 0.28363397960530 0.49806578309103 0.82965109231526 15.999 > 1 4 O 0.28363397960530 0.99806578309103 0.82965109231526 15.999 > 1 5 O 0.71636602039470 0.24806578309103 0.42034890768474 15.999 > 5 6 O 0.71636602039470 0.74806578309103 0.42034890768474 15.999 > 5 7 O 0.71636602039470 0.24806578309103 0.92034890768474 15.999 > 5 8 O 0.71636602039470 0.74806578309103 0.92034890768474 15.999 > 5 9 O 0.71636602039470 0.00193421690897 0.17034890768474 15.999 > 9 10 O 0.71636602039470 0.50193421690897 0.17034890768474 15.999 > 9 11 O 0.71636602039470 0.00193421690897 0.67034890768474 15.999 > 9 12 O 0.71636602039470 0.50193421690897 0.67034890768474 15.999 > 9 13 O 0.28363397960530 0.25193421690897 0.07965109231526 15.999 > 13 14 O 0.28363397960530 0.75193421690897 0.07965109231526 15.999 > 13 15 O 0.28363397960530 0.25193421690897 0.57965109231526 15.999 > 13 16 O 0.28363397960530 0.75193421690897 0.57965109231526 15.999 > 13 17 O 0.41422428091793 0.13326781630654 0.01422923491172 15.999 > 17 18 O 0.41422428091793 0.63326781630654 0.01422923491172 15.999 > 17 19 O 0.41422428091793 0.13326781630654 0.51422923491172 15.999 > 17 20 O 0.41422428091793 0.63326781630654 0.51422923491172 15.999 > 17 21 O 0.58577571908207 0.38326781630654 0.23577076508828 15.999 > 21 22 O 0.58577571908207 0.88326781630654 0.23577076508828 15.999 > 21 23 O 0.58577571908207 0.38326781630654 0.73577076508828 15.999 > 21 24 O 0.58577571908207 0.88326781630654 0.73577076508828 15.999 > 21 25 O 0.58577571908207 0.36673218369346 0.48577076508828 15.999 > 25 26 O 0.58577571908207 0.86673218369346 0.48577076508828 15.999 > 25 27 O 0.58577571908207 0.36673218369346 0.98577076508828 15.999 > 25 28 O 0.58577571908207 0.86673218369346 0.98577076508828 15.999 > 25 29 O 0.41422428091793 0.11673218369346 0.26422923491172 15.999 > 29 30 O 0.41422428091793 0.61673218369346 0.26422923491172 15.999 > 29 31 O 0.41422428091793 0.11673218369346 0.76422923491172 15.999 > 29 32 O 0.41422428091793 0.61673218369346 0.76422923491172 15.999 > 29 33 O 0.19560931027555 0.48692230358795 0.18422270505161 15.999 > 33 34 O 0.19560931027555 0.98692230358795 0.18422270505161 15.999 > 33 35 O 0.19560931027555 0.48692230358795 0.68422270505161 15.999 > 33 36 O 0.19560931027555 0.98692230358795 0.68422270505161 15.999 > 33 37 O 0.80439068972445 0.23692230358794 0.06577729494839 15.999 > 37 38 O 0.80439068972445 0.73692230358794 0.06577729494839 15.999 > 37 39 O 0.80439068972445 0.23692230358794 0.56577729494839 15.999 > 37 40 O 0.80439068972445 0.73692230358794 0.56577729494839 15.999 > 37 41 O 0.80439068972445 0.01307769641205 0.31577729494839 15.999 > 41 42 O 0.80439068972445 0.51307769641206 0.31577729494839 15.999 > 41 43 O 0.80439068972445 0.01307769641205 0.81577729494839 15.999 > 41 44 O 0.80439068972445 0.51307769641206 0.81577729494839 15.999 > 41 45 O 0.19560931027555 0.26307769641205 0.43422270505161 15.999 > 45 46 O 0.19560931027555 0.76307769641205 0.43422270505161 15.999 > 45 47 O 0.19560931027555 0.26307769641205 0.93422270505161 15.999 > 45 48 O 0.19560931027555 0.76307769641205 0.93422270505161 15.999 > 45 49 O 0.14624060275843 0.16323638146428 0.24555887533621 15.999 > 49 50 O 0.14624060275843 0.66323638146428 0.24555887533621 15.999 > 49 51 O 0.14624060275843 0.16323638146428 0.74555887533621 15.999 > 49 52 O 0.14624060275843 0.66323638146428 0.74555887533621 15.999 > 49 53 O 0.85375939724157 0.41323638146428 0.00444112466379 15.999 > 53 54 O 0.85375939724157 0.91323638146428 0.00444112466379 15.999 > 53 55 O 0.85375939724157 0.41323638146428 0.50444112466379 15.999 > 53 56 O 0.85375939724157 0.91323638146428 0.50444112466379 15.999 > 53 57 O 0.85375939724157 0.33676361853572 0.25444112466379 15.999 > 57 58 O 0.85375939724157 0.83676361853572 0.25444112466379 15.999 > 57 59 O 0.85375939724157 0.33676361853572 0.75444112466379 15.999 > 57 60 O 0.85375939724157 0.83676361853572 0.75444112466379 15.999 > 57 61 O 0.14624060275843 0.08676361853572 0.49555887533621 15.999 > 61 62 O 0.14624060275843 0.58676361853572 0.49555887533621 15.999 > 61 63 O 0.14624060275843 0.08676361853572 0.99555887533621 15.999 > 61 64 O 0.14624060275843 0.58676361853572 0.99555887533621 15.999 > 61 65 Ge 0.26021407903364 0.06475589866874 0.25560862146335 72.640 > 65 66 Ge 0.26021407903364 0.56475589866874 0.25560862146335 72.640 > 65 67 Ge 0.26021407903364 0.06475589866874 0.75560862146335 72.640 > 65 68 Ge 0.26021407903364 0.56475589866874 0.75560862146335 72.640 > 65 69 Ge 0.73978592096636 0.31475589866874 0.49439137853665 72.640 > 69 70 Ge 0.73978592096636 0.81475589866874 0.49439137853665 72.640 > 69 71 Ge 0.73978592096636 0.31475589866874 0.99439137853665 72.640 > 69 72 Ge 0.73978592096636 0.81475589866874 0.99439137853665 72.640 > 69 73 Ge 0.73978592096636 0.43524410133126 0.24439137853665 72.640 > 73 74 Ge 0.73978592096636 0.93524410133126 0.24439137853665 72.640 > 73 75 Ge 0.73978592096636 0.43524410133126 0.74439137853665 72.640 > 73 76 Ge 0.73978592096636 0.93524410133126 0.74439137853665 72.640 > 73 77 Ge 0.26021407903364 0.18524410133126 0.00560862146335 72.640 > 77 78 Ge 0.26021407903364 0.68524410133126 0.00560862146335 72.640 > 77 79 Ge 0.26021407903364 0.18524410133126 0.50560862146335 72.640 > 77 80 Ge 0.26021407903364 0.68524410133126 0.50560862146335 72.640 > 77 81 Rb 0.07847122440602 0.15718788545392 0.10393376078906 85.468 > 81 82 Rb 0.07847122440602 0.65718788545392 0.10393376078906 85.468 > 81 83 Rb 0.07847122440602 0.15718788545392 0.60393376078906 85.468 > 81 84 Rb 0.07847122440602 0.65718788545392 0.60393376078906 85.468 > 81 85 Rb 0.92152877559399 0.40718788545392 0.14606623921094 85.468 > 85 86 Rb 0.92152877559399 0.90718788545392 0.14606623921094 85.468 > 85 87 Rb 0.92152877559399 0.40718788545392 0.64606623921094 85.468 > 85 88 Rb 0.92152877559399 0.90718788545392 0.64606623921094 85.468 > 85 89 Rb 0.92152877559399 0.34281211454608 0.39606623921094 85.468 > 89 90 Rb 0.92152877559399 0.84281211454608 0.39606623921094 85.468 > 89 91 Rb 0.92152877559399 0.34281211454608 0.89606623921094 85.468 > 89 92 Rb 0.92152877559399 0.84281211454608 0.89606623921094 85.468 > 89 93 Rb 0.07847122440602 0.09281211454608 0.35393376078906 85.468 > 93 94 Rb 0.07847122440602 0.59281211454608 0.35393376078906 85.468 > 93 95 Rb 0.07847122440602 0.09281211454608 0.85393376078906 85.468 > 93 96 Rb 0.07847122440602 0.59281211454608 0.85393376078906 85.468 > 93 97 Rb 0.43531055812193 0.04360839631424 0.14919126344297 85.468 > 97 98 Rb 0.43531055812193 0.54360839631424 0.14919126344297 85.468 > 97 99 Rb 0.43531055812193 0.04360839631424 0.64919126344297 85.468 > 97 100 Rb 0.43531055812193 0.54360839631424 0.64919126344297 85.468 > 97 101 Rb 0.56468944187807 0.29360839631424 0.10080873655703 85.468 > 101 102 Rb 0.56468944187807 0.79360839631424 0.10080873655703 85.468 > 101 103 Rb 0.56468944187807 0.29360839631424 0.60080873655703 85.468 > 101 104 Rb 0.56468944187807 0.79360839631424 0.60080873655703 85.468 > 101 105 Rb 0.56468944187807 0.45639160368576 0.35080873655703 85.468 > 105 106 Rb 0.56468944187807 0.95639160368576 0.35080873655703 85.468 > 105 107 Rb 0.56468944187807 0.45639160368576 0.85080873655703 85.468 > 105 108 Rb 0.56468944187807 0.95639160368576 0.85080873655703 85.468 > 105 109 Rb 0.43531055812193 0.20639160368576 0.39919126344297 85.468 > 109 110 Rb 0.43531055812193 0.70639160368576 0.39919126344297 85.468 > 109 111 Rb 0.43531055812193 0.20639160368576 0.89919126344297 85.468 > 109 112 Rb 0.43531055812193 0.70639160368576 0.89919126344297 85.468 > 109 113 Rb 0.12859936302990 0.41493872700941 0.05478775885838 85.468 > 113 114 Rb 0.12859936302990 0.91493872700941 0.05478775885838 85.468 > 113 115 Rb 0.12859936302990 0.41493872700941 0.55478775885838 85.468 > 113 116 Rb 0.12859936302990 0.91493872700941 0.55478775885838 85.468 > 113 117 Rb 0.87140063697010 0.16493872700941 0.19521224114162 85.468 > 117 118 Rb 0.87140063697010 0.66493872700941 0.19521224114162 85.468 > 117 119 Rb 0.87140063697010 0.16493872700941 0.69521224114162 85.468 > 117 120 Rb 0.87140063697010 0.66493872700941 0.69521224114162 85.468 > 117 121 Rb 0.87140063697010 0.08506127299059 0.44521224114162 85.468 > 121 122 Rb 0.87140063697010 0.58506127299059 0.44521224114162 85.468 > 121 123 Rb 0.87140063697010 0.08506127299059 0.94521224114162 85.468 > 121 124 Rb 0.87140063697010 0.58506127299059 0.94521224114162 85.468 > 121 125 Rb 0.12859936302990 0.33506127299059 0.30478775885838 85.468 > 125 126 Rb 0.12859936302990 0.83506127299059 0.30478775885838 85.468 > 125 127 Rb 0.12859936302990 0.33506127299059 0.80478775885838 85.468 > 125 128 Rb 0.12859936302990 0.83506127299059 0.80478775885838 85.468 > 125 129 Rb 0.65755951840269 0.05611797709128 0.04024531619076 85.468 > 129 130 Rb 0.65755951840269 0.55611797709128 0.04024531619076 85.468 > 129 131 Rb 0.65755951840269 0.05611797709128 0.54024531619076 85.468 > 129 132 Rb 0.65755951840269 0.55611797709128 0.54024531619076 85.468 > 129 133 Rb 0.34244048159731 0.30611797709128 0.20975468380924 85.468 > 133 134 Rb 0.34244048159731 0.80611797709128 0.20975468380924 85.468 > 133 135 Rb 0.34244048159731 0.30611797709128 0.70975468380924 85.468 > 133 136 Rb 0.34244048159731 0.80611797709128 0.70975468380924 85.468 > 133 137 Rb 0.34244048159731 0.44388202290872 0.45975468380924 85.468 > 137 138 Rb 0.34244048159731 0.94388202290872 0.45975468380924 85.468 > 137 139 Rb 0.34244048159731 0.44388202290872 0.95975468380924 85.468 > 137 140 Rb 0.34244048159731 0.94388202290872 0.95975468380924 85.468 > 137 141 Rb 0.65755951840269 0.19388202290872 0.29024531619076 85.468 > 141 142 Rb 0.65755951840269 0.69388202290872 0.29024531619076 85.468 > 141 143 Rb 0.65755951840269 0.19388202290872 0.79024531619076 85.468 > 141 144 Rb 0.65755951840269 0.69388202290872 0.79024531619076 85.468 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9406955 0.0000000 -0.0195958 0.0000000 2.9579249 0.0000000 -0.0195959 0.0000000 2.9811035 -------------------------- Born effective charges -------------------------- 1 O -1.6230476 -0.1141640 0.2146592 -0.1477772 -1.7985369 0.4641265 0.2385845 0.4036517 -2.1865178 2 O -1.6230476 0.1141640 0.2146592 0.1477772 -1.7985369 -0.4641265 0.2385845 -0.4036517 -2.1865178 3 O -1.6230476 -0.1141640 0.2146592 -0.1477772 -1.7985369 0.4641265 0.2385845 0.4036517 -2.1865178 4 O -1.6230476 0.1141640 0.2146592 0.1477772 -1.7985369 -0.4641265 0.2385845 -0.4036517 -2.1865178 5 O -2.3186440 0.3338787 -0.0726510 0.3532125 -1.6977761 0.0091077 -0.0532833 0.0196128 -1.5701906 6 O -2.3186440 -0.3338787 -0.0726510 -0.3532125 -1.6977761 -0.0091077 -0.0532833 -0.0196128 -1.5701906 7 O -2.3186440 0.3338787 -0.0726510 0.3532125 -1.6977761 0.0091077 -0.0532833 0.0196128 -1.5701906 8 O -2.3186440 -0.3338787 -0.0726510 -0.3532125 -1.6977761 -0.0091077 -0.0532833 -0.0196128 -1.5701906 9 O -1.4865312 -0.0409464 -0.0603537 -0.0166102 -1.9258435 -0.4853437 -0.0656937 -0.4468029 -2.2103447 10 O -1.4865312 0.0409464 -0.0603537 0.0166102 -1.9258435 0.4853437 -0.0656937 0.4468029 -2.2103447 11 O -1.4865312 -0.0409464 -0.0603537 -0.0166102 -1.9258435 -0.4853437 -0.0656937 -0.4468029 -2.2103447 12 O -1.4865312 0.0409464 -0.0603537 0.0166102 -1.9258435 0.4853437 -0.0656937 0.4468029 -2.2103447 13 O -1.9814667 0.5072601 0.0308143 0.5347287 -2.0468621 0.0426793 -0.0087943 0.0612399 -1.6401730 14 O -1.9814667 -0.5072601 0.0308143 -0.5347287 -2.0468621 -0.0426793 -0.0087943 -0.0612399 -1.6401730 15 O -1.9814667 0.5072601 0.0308143 0.5347287 -2.0468621 0.0426793 -0.0087943 0.0612399 -1.6401730 16 O -1.9814667 -0.5072601 0.0308143 -0.5347287 -2.0468621 -0.0426793 -0.0087943 -0.0612399 -1.6401730 17 Ge 2.6166056 -0.0094089 0.0167322 -0.0293544 2.6723660 -0.0208060 -0.0026082 0.0067324 2.7619796 18 Ge 2.6166056 0.0094089 0.0167322 0.0293544 2.6723660 0.0208060 -0.0026082 -0.0067324 2.7619796 19 Ge 2.6166056 -0.0094089 0.0167322 -0.0293544 2.6723660 -0.0208060 -0.0026082 0.0067324 2.7619796 20 Ge 2.6166056 0.0094089 0.0167322 0.0293544 2.6723660 0.0208060 -0.0026082 -0.0067324 2.7619796 21 Rb 1.2412359 -0.0358010 -0.0891829 -0.0461711 1.0397227 -0.0938346 -0.0821930 -0.1183191 1.3002344 22 Rb 1.2412359 0.0358010 -0.0891829 0.0461711 1.0397227 0.0938346 -0.0821930 0.1183191 1.3002344 23 Rb 1.2412359 -0.0358010 -0.0891829 -0.0461711 1.0397227 -0.0938346 -0.0821930 -0.1183191 1.3002344 24 Rb 1.2412359 0.0358010 -0.0891829 0.0461711 1.0397227 0.0938346 -0.0821930 0.1183191 1.3002344 25 Rb 1.2592901 -0.1519990 -0.0607051 -0.1454790 1.0601220 -0.1563744 -0.0451636 -0.1756334 1.2967221 26 Rb 1.2592901 0.1519990 -0.0607051 0.1454790 1.0601220 0.1563744 -0.0451636 0.1756334 1.2967221 27 Rb 1.2592901 -0.1519990 -0.0607051 -0.1454790 1.0601220 -0.1563744 -0.0451636 -0.1756334 1.2967221 28 Rb 1.2592901 0.1519990 -0.0607051 0.1454790 1.0601220 0.1563744 -0.0451636 0.1756334 1.2967221 29 Rb 1.1350965 -0.0646303 0.0364352 -0.0767508 1.3106812 0.0018427 0.0246273 0.0246162 1.1420628 30 Rb 1.1350965 0.0646303 0.0364352 0.0767508 1.3106812 -0.0018427 0.0246273 -0.0246162 1.1420628 31 Rb 1.1350965 -0.0646303 0.0364352 -0.0767508 1.3106812 0.0018427 0.0246273 0.0246162 1.1420628 32 Rb 1.1350965 0.0646303 0.0364352 0.0767508 1.3106812 -0.0018427 0.0246273 -0.0246162 1.1420628 33 Rb 1.1574614 -0.0830837 -0.0157481 -0.0565062 1.3861266 -0.0155653 -0.0054757 -0.0265534 1.1062273 34 Rb 1.1574614 0.0830837 -0.0157481 0.0565062 1.3861266 0.0155653 -0.0054757 0.0265534 1.1062273 35 Rb 1.1574614 -0.0830837 -0.0157481 -0.0565062 1.3861266 -0.0155653 -0.0054757 -0.0265534 1.1062273 36 Rb 1.1574614 0.0830837 -0.0157481 0.0565062 1.3861266 0.0155653 -0.0054757 0.0265534 1.1062273 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 17, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 129, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:34:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:34:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.005019104802390 0.000000000000000 0.000000000000000 b 0.000000000000000 6.833249960000000 0.000000000000000 c -4.087387919782008 0.000000000000000 10.111678851429106 Atomic positions (fractional): 1 O 0.28363397960530 0.99613156618207 0.65930218463053 15.999 2 O 0.71636602039470 0.49613156618207 0.84069781536947 15.999 3 O 0.71636602039470 0.00386843381793 0.34069781536947 15.999 4 O 0.28363397960530 0.50386843381793 0.15930218463053 15.999 5 O 0.41422428091793 0.26653563261309 0.02845846982343 15.999 6 O 0.58577571908207 0.76653563261309 0.47154153017657 15.999 7 O 0.58577571908207 0.73346436738691 0.97154153017657 15.999 8 O 0.41422428091793 0.23346436738691 0.52845846982343 15.999 9 O 0.19560931027555 0.97384460717589 0.36844541010321 15.999 10 O 0.80439068972445 0.47384460717589 0.13155458989679 15.999 11 O 0.80439068972445 0.02615539282411 0.63155458989679 15.999 12 O 0.19560931027555 0.52615539282411 0.86844541010321 15.999 13 O 0.14624060275843 0.32647276292855 0.49111775067242 15.999 14 O 0.85375939724157 0.82647276292855 0.00888224932758 15.999 15 O 0.85375939724157 0.67352723707145 0.50888224932758 15.999 16 O 0.14624060275843 0.17352723707145 0.99111775067242 15.999 17 Ge 0.26021407903364 0.12951179733748 0.51121724292670 72.640 18 Ge 0.73978592096636 0.62951179733748 0.98878275707330 72.640 19 Ge 0.73978592096636 0.87048820266252 0.48878275707330 72.640 20 Ge 0.26021407903364 0.37048820266252 0.01121724292670 72.640 21 Rb 0.07847122440602 0.31437577090784 0.20786752157813 85.468 22 Rb 0.92152877559399 0.81437577090784 0.29213247842187 85.468 23 Rb 0.92152877559399 0.68562422909216 0.79213247842187 85.468 24 Rb 0.07847122440602 0.18562422909216 0.70786752157813 85.468 25 Rb 0.43531055812193 0.08721679262848 0.29838252688595 85.468 26 Rb 0.56468944187807 0.58721679262848 0.20161747311405 85.468 27 Rb 0.56468944187807 0.91278320737152 0.70161747311405 85.468 28 Rb 0.43531055812193 0.41278320737152 0.79838252688595 85.468 29 Rb 0.12859936302990 0.82987745401883 0.10957551771676 85.468 30 Rb 0.87140063697010 0.32987745401883 0.39042448228324 85.468 31 Rb 0.87140063697010 0.17012254598117 0.89042448228324 85.468 32 Rb 0.12859936302990 0.67012254598117 0.60957551771676 85.468 33 Rb 0.65755951840269 0.11223595418255 0.08049063238152 85.468 34 Rb 0.34244048159731 0.61223595418255 0.41950936761848 85.468 35 Rb 0.34244048159731 0.88776404581745 0.91950936761848 85.468 36 Rb 0.65755951840269 0.38776404581745 0.58049063238152 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.005019104802390 0.000000000000000 0.000000000000000 b 0.000000000000000 13.666499920000000 0.000000000000000 c -8.174775839564017 0.000000000000000 20.223357702858213 Atomic positions (fractional): 1 O 0.28363397960530 0.49806578309103 0.32965109231526 15.999 > 1 2 O 0.28363397960530 0.99806578309103 0.32965109231526 15.999 > 1 3 O 0.28363397960530 0.49806578309103 0.82965109231526 15.999 > 1 4 O 0.28363397960530 0.99806578309103 0.82965109231526 15.999 > 1 5 O 0.71636602039470 0.24806578309103 0.42034890768474 15.999 > 5 6 O 0.71636602039470 0.74806578309103 0.42034890768474 15.999 > 5 7 O 0.71636602039470 0.24806578309103 0.92034890768474 15.999 > 5 8 O 0.71636602039470 0.74806578309103 0.92034890768474 15.999 > 5 9 O 0.71636602039470 0.00193421690897 0.17034890768474 15.999 > 9 10 O 0.71636602039470 0.50193421690897 0.17034890768474 15.999 > 9 11 O 0.71636602039470 0.00193421690897 0.67034890768474 15.999 > 9 12 O 0.71636602039470 0.50193421690897 0.67034890768474 15.999 > 9 13 O 0.28363397960530 0.25193421690897 0.07965109231526 15.999 > 13 14 O 0.28363397960530 0.75193421690897 0.07965109231526 15.999 > 13 15 O 0.28363397960530 0.25193421690897 0.57965109231526 15.999 > 13 16 O 0.28363397960530 0.75193421690897 0.57965109231526 15.999 > 13 17 O 0.41422428091793 0.13326781630654 0.01422923491172 15.999 > 17 18 O 0.41422428091793 0.63326781630654 0.01422923491172 15.999 > 17 19 O 0.41422428091793 0.13326781630654 0.51422923491172 15.999 > 17 20 O 0.41422428091793 0.63326781630654 0.51422923491172 15.999 > 17 21 O 0.58577571908207 0.38326781630654 0.23577076508828 15.999 > 21 22 O 0.58577571908207 0.88326781630654 0.23577076508828 15.999 > 21 23 O 0.58577571908207 0.38326781630654 0.73577076508828 15.999 > 21 24 O 0.58577571908207 0.88326781630654 0.73577076508828 15.999 > 21 25 O 0.58577571908207 0.36673218369346 0.48577076508828 15.999 > 25 26 O 0.58577571908207 0.86673218369346 0.48577076508828 15.999 > 25 27 O 0.58577571908207 0.36673218369346 0.98577076508828 15.999 > 25 28 O 0.58577571908207 0.86673218369346 0.98577076508828 15.999 > 25 29 O 0.41422428091793 0.11673218369346 0.26422923491172 15.999 > 29 30 O 0.41422428091793 0.61673218369346 0.26422923491172 15.999 > 29 31 O 0.41422428091793 0.11673218369346 0.76422923491172 15.999 > 29 32 O 0.41422428091793 0.61673218369346 0.76422923491172 15.999 > 29 33 O 0.19560931027555 0.48692230358795 0.18422270505161 15.999 > 33 34 O 0.19560931027555 0.98692230358795 0.18422270505161 15.999 > 33 35 O 0.19560931027555 0.48692230358795 0.68422270505161 15.999 > 33 36 O 0.19560931027555 0.98692230358795 0.68422270505161 15.999 > 33 37 O 0.80439068972445 0.23692230358794 0.06577729494839 15.999 > 37 38 O 0.80439068972445 0.73692230358794 0.06577729494839 15.999 > 37 39 O 0.80439068972445 0.23692230358794 0.56577729494839 15.999 > 37 40 O 0.80439068972445 0.73692230358794 0.56577729494839 15.999 > 37 41 O 0.80439068972445 0.01307769641205 0.31577729494839 15.999 > 41 42 O 0.80439068972445 0.51307769641206 0.31577729494839 15.999 > 41 43 O 0.80439068972445 0.01307769641205 0.81577729494839 15.999 > 41 44 O 0.80439068972445 0.51307769641206 0.81577729494839 15.999 > 41 45 O 0.19560931027555 0.26307769641205 0.43422270505161 15.999 > 45 46 O 0.19560931027555 0.76307769641205 0.43422270505161 15.999 > 45 47 O 0.19560931027555 0.26307769641205 0.93422270505161 15.999 > 45 48 O 0.19560931027555 0.76307769641205 0.93422270505161 15.999 > 45 49 O 0.14624060275843 0.16323638146428 0.24555887533621 15.999 > 49 50 O 0.14624060275843 0.66323638146428 0.24555887533621 15.999 > 49 51 O 0.14624060275843 0.16323638146428 0.74555887533621 15.999 > 49 52 O 0.14624060275843 0.66323638146428 0.74555887533621 15.999 > 49 53 O 0.85375939724157 0.41323638146428 0.00444112466379 15.999 > 53 54 O 0.85375939724157 0.91323638146428 0.00444112466379 15.999 > 53 55 O 0.85375939724157 0.41323638146428 0.50444112466379 15.999 > 53 56 O 0.85375939724157 0.91323638146428 0.50444112466379 15.999 > 53 57 O 0.85375939724157 0.33676361853572 0.25444112466379 15.999 > 57 58 O 0.85375939724157 0.83676361853572 0.25444112466379 15.999 > 57 59 O 0.85375939724157 0.33676361853572 0.75444112466379 15.999 > 57 60 O 0.85375939724157 0.83676361853572 0.75444112466379 15.999 > 57 61 O 0.14624060275843 0.08676361853572 0.49555887533621 15.999 > 61 62 O 0.14624060275843 0.58676361853572 0.49555887533621 15.999 > 61 63 O 0.14624060275843 0.08676361853572 0.99555887533621 15.999 > 61 64 O 0.14624060275843 0.58676361853572 0.99555887533621 15.999 > 61 65 Ge 0.26021407903364 0.06475589866874 0.25560862146335 72.640 > 65 66 Ge 0.26021407903364 0.56475589866874 0.25560862146335 72.640 > 65 67 Ge 0.26021407903364 0.06475589866874 0.75560862146335 72.640 > 65 68 Ge 0.26021407903364 0.56475589866874 0.75560862146335 72.640 > 65 69 Ge 0.73978592096636 0.31475589866874 0.49439137853665 72.640 > 69 70 Ge 0.73978592096636 0.81475589866874 0.49439137853665 72.640 > 69 71 Ge 0.73978592096636 0.31475589866874 0.99439137853665 72.640 > 69 72 Ge 0.73978592096636 0.81475589866874 0.99439137853665 72.640 > 69 73 Ge 0.73978592096636 0.43524410133126 0.24439137853665 72.640 > 73 74 Ge 0.73978592096636 0.93524410133126 0.24439137853665 72.640 > 73 75 Ge 0.73978592096636 0.43524410133126 0.74439137853665 72.640 > 73 76 Ge 0.73978592096636 0.93524410133126 0.74439137853665 72.640 > 73 77 Ge 0.26021407903364 0.18524410133126 0.00560862146335 72.640 > 77 78 Ge 0.26021407903364 0.68524410133126 0.00560862146335 72.640 > 77 79 Ge 0.26021407903364 0.18524410133126 0.50560862146335 72.640 > 77 80 Ge 0.26021407903364 0.68524410133126 0.50560862146335 72.640 > 77 81 Rb 0.07847122440602 0.15718788545392 0.10393376078906 85.468 > 81 82 Rb 0.07847122440602 0.65718788545392 0.10393376078906 85.468 > 81 83 Rb 0.07847122440602 0.15718788545392 0.60393376078906 85.468 > 81 84 Rb 0.07847122440602 0.65718788545392 0.60393376078906 85.468 > 81 85 Rb 0.92152877559399 0.40718788545392 0.14606623921094 85.468 > 85 86 Rb 0.92152877559399 0.90718788545392 0.14606623921094 85.468 > 85 87 Rb 0.92152877559399 0.40718788545392 0.64606623921094 85.468 > 85 88 Rb 0.92152877559399 0.90718788545392 0.64606623921094 85.468 > 85 89 Rb 0.92152877559399 0.34281211454608 0.39606623921094 85.468 > 89 90 Rb 0.92152877559399 0.84281211454608 0.39606623921094 85.468 > 89 91 Rb 0.92152877559399 0.34281211454608 0.89606623921094 85.468 > 89 92 Rb 0.92152877559399 0.84281211454608 0.89606623921094 85.468 > 89 93 Rb 0.07847122440602 0.09281211454608 0.35393376078906 85.468 > 93 94 Rb 0.07847122440602 0.59281211454608 0.35393376078906 85.468 > 93 95 Rb 0.07847122440602 0.09281211454608 0.85393376078906 85.468 > 93 96 Rb 0.07847122440602 0.59281211454608 0.85393376078906 85.468 > 93 97 Rb 0.43531055812193 0.04360839631424 0.14919126344297 85.468 > 97 98 Rb 0.43531055812193 0.54360839631424 0.14919126344297 85.468 > 97 99 Rb 0.43531055812193 0.04360839631424 0.64919126344297 85.468 > 97 100 Rb 0.43531055812193 0.54360839631424 0.64919126344297 85.468 > 97 101 Rb 0.56468944187807 0.29360839631424 0.10080873655703 85.468 > 101 102 Rb 0.56468944187807 0.79360839631424 0.10080873655703 85.468 > 101 103 Rb 0.56468944187807 0.29360839631424 0.60080873655703 85.468 > 101 104 Rb 0.56468944187807 0.79360839631424 0.60080873655703 85.468 > 101 105 Rb 0.56468944187807 0.45639160368576 0.35080873655703 85.468 > 105 106 Rb 0.56468944187807 0.95639160368576 0.35080873655703 85.468 > 105 107 Rb 0.56468944187807 0.45639160368576 0.85080873655703 85.468 > 105 108 Rb 0.56468944187807 0.95639160368576 0.85080873655703 85.468 > 105 109 Rb 0.43531055812193 0.20639160368576 0.39919126344297 85.468 > 109 110 Rb 0.43531055812193 0.70639160368576 0.39919126344297 85.468 > 109 111 Rb 0.43531055812193 0.20639160368576 0.89919126344297 85.468 > 109 112 Rb 0.43531055812193 0.70639160368576 0.89919126344297 85.468 > 109 113 Rb 0.12859936302990 0.41493872700941 0.05478775885838 85.468 > 113 114 Rb 0.12859936302990 0.91493872700941 0.05478775885838 85.468 > 113 115 Rb 0.12859936302990 0.41493872700941 0.55478775885838 85.468 > 113 116 Rb 0.12859936302990 0.91493872700941 0.55478775885838 85.468 > 113 117 Rb 0.87140063697010 0.16493872700941 0.19521224114162 85.468 > 117 118 Rb 0.87140063697010 0.66493872700941 0.19521224114162 85.468 > 117 119 Rb 0.87140063697010 0.16493872700941 0.69521224114162 85.468 > 117 120 Rb 0.87140063697010 0.66493872700941 0.69521224114162 85.468 > 117 121 Rb 0.87140063697010 0.08506127299059 0.44521224114162 85.468 > 121 122 Rb 0.87140063697010 0.58506127299059 0.44521224114162 85.468 > 121 123 Rb 0.87140063697010 0.08506127299059 0.94521224114162 85.468 > 121 124 Rb 0.87140063697010 0.58506127299059 0.94521224114162 85.468 > 121 125 Rb 0.12859936302990 0.33506127299059 0.30478775885838 85.468 > 125 126 Rb 0.12859936302990 0.83506127299059 0.30478775885838 85.468 > 125 127 Rb 0.12859936302990 0.33506127299059 0.80478775885838 85.468 > 125 128 Rb 0.12859936302990 0.83506127299059 0.80478775885838 85.468 > 125 129 Rb 0.65755951840269 0.05611797709128 0.04024531619076 85.468 > 129 130 Rb 0.65755951840269 0.55611797709128 0.04024531619076 85.468 > 129 131 Rb 0.65755951840269 0.05611797709128 0.54024531619076 85.468 > 129 132 Rb 0.65755951840269 0.55611797709128 0.54024531619076 85.468 > 129 133 Rb 0.34244048159731 0.30611797709128 0.20975468380924 85.468 > 133 134 Rb 0.34244048159731 0.80611797709128 0.20975468380924 85.468 > 133 135 Rb 0.34244048159731 0.30611797709128 0.70975468380924 85.468 > 133 136 Rb 0.34244048159731 0.80611797709128 0.70975468380924 85.468 > 133 137 Rb 0.34244048159731 0.44388202290872 0.45975468380924 85.468 > 137 138 Rb 0.34244048159731 0.94388202290872 0.45975468380924 85.468 > 137 139 Rb 0.34244048159731 0.44388202290872 0.95975468380924 85.468 > 137 140 Rb 0.34244048159731 0.94388202290872 0.95975468380924 85.468 > 137 141 Rb 0.65755951840269 0.19388202290872 0.29024531619076 85.468 > 141 142 Rb 0.65755951840269 0.69388202290872 0.29024531619076 85.468 > 141 143 Rb 0.65755951840269 0.19388202290872 0.79024531619076 85.468 > 141 144 Rb 0.65755951840269 0.69388202290872 0.79024531619076 85.468 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9406955 0.0000000 -0.0195958 0.0000000 2.9579249 0.0000000 -0.0195959 0.0000000 2.9811035 -------------------------- Born effective charges -------------------------- 1 O -1.6230476 -0.1141640 0.2146592 -0.1477772 -1.7985369 0.4641265 0.2385845 0.4036517 -2.1865178 2 O -1.6230476 0.1141640 0.2146592 0.1477772 -1.7985369 -0.4641265 0.2385845 -0.4036517 -2.1865178 3 O -1.6230476 -0.1141640 0.2146592 -0.1477772 -1.7985369 0.4641265 0.2385845 0.4036517 -2.1865178 4 O -1.6230476 0.1141640 0.2146592 0.1477772 -1.7985369 -0.4641265 0.2385845 -0.4036517 -2.1865178 5 O -2.3186440 0.3338787 -0.0726510 0.3532125 -1.6977761 0.0091077 -0.0532833 0.0196128 -1.5701906 6 O -2.3186440 -0.3338787 -0.0726510 -0.3532125 -1.6977761 -0.0091077 -0.0532833 -0.0196128 -1.5701906 7 O -2.3186440 0.3338787 -0.0726510 0.3532125 -1.6977761 0.0091077 -0.0532833 0.0196128 -1.5701906 8 O -2.3186440 -0.3338787 -0.0726510 -0.3532125 -1.6977761 -0.0091077 -0.0532833 -0.0196128 -1.5701906 9 O -1.4865312 -0.0409464 -0.0603537 -0.0166102 -1.9258435 -0.4853437 -0.0656937 -0.4468029 -2.2103447 10 O -1.4865312 0.0409464 -0.0603537 0.0166102 -1.9258435 0.4853437 -0.0656937 0.4468029 -2.2103447 11 O -1.4865312 -0.0409464 -0.0603537 -0.0166102 -1.9258435 -0.4853437 -0.0656937 -0.4468029 -2.2103447 12 O -1.4865312 0.0409464 -0.0603537 0.0166102 -1.9258435 0.4853437 -0.0656937 0.4468029 -2.2103447 13 O -1.9814667 0.5072601 0.0308143 0.5347287 -2.0468621 0.0426793 -0.0087943 0.0612399 -1.6401730 14 O -1.9814667 -0.5072601 0.0308143 -0.5347287 -2.0468621 -0.0426793 -0.0087943 -0.0612399 -1.6401730 15 O -1.9814667 0.5072601 0.0308143 0.5347287 -2.0468621 0.0426793 -0.0087943 0.0612399 -1.6401730 16 O -1.9814667 -0.5072601 0.0308143 -0.5347287 -2.0468621 -0.0426793 -0.0087943 -0.0612399 -1.6401730 17 Ge 2.6166056 -0.0094089 0.0167322 -0.0293544 2.6723660 -0.0208060 -0.0026082 0.0067324 2.7619796 18 Ge 2.6166056 0.0094089 0.0167322 0.0293544 2.6723660 0.0208060 -0.0026082 -0.0067324 2.7619796 19 Ge 2.6166056 -0.0094089 0.0167322 -0.0293544 2.6723660 -0.0208060 -0.0026082 0.0067324 2.7619796 20 Ge 2.6166056 0.0094089 0.0167322 0.0293544 2.6723660 0.0208060 -0.0026082 -0.0067324 2.7619796 21 Rb 1.2412359 -0.0358010 -0.0891829 -0.0461711 1.0397227 -0.0938346 -0.0821930 -0.1183191 1.3002344 22 Rb 1.2412359 0.0358010 -0.0891829 0.0461711 1.0397227 0.0938346 -0.0821930 0.1183191 1.3002344 23 Rb 1.2412359 -0.0358010 -0.0891829 -0.0461711 1.0397227 -0.0938346 -0.0821930 -0.1183191 1.3002344 24 Rb 1.2412359 0.0358010 -0.0891829 0.0461711 1.0397227 0.0938346 -0.0821930 0.1183191 1.3002344 25 Rb 1.2592901 -0.1519990 -0.0607051 -0.1454790 1.0601220 -0.1563744 -0.0451636 -0.1756334 1.2967221 26 Rb 1.2592901 0.1519990 -0.0607051 0.1454790 1.0601220 0.1563744 -0.0451636 0.1756334 1.2967221 27 Rb 1.2592901 -0.1519990 -0.0607051 -0.1454790 1.0601220 -0.1563744 -0.0451636 -0.1756334 1.2967221 28 Rb 1.2592901 0.1519990 -0.0607051 0.1454790 1.0601220 0.1563744 -0.0451636 0.1756334 1.2967221 29 Rb 1.1350965 -0.0646303 0.0364352 -0.0767508 1.3106812 0.0018427 0.0246273 0.0246162 1.1420628 30 Rb 1.1350965 0.0646303 0.0364352 0.0767508 1.3106812 -0.0018427 0.0246273 -0.0246162 1.1420628 31 Rb 1.1350965 -0.0646303 0.0364352 -0.0767508 1.3106812 0.0018427 0.0246273 0.0246162 1.1420628 32 Rb 1.1350965 0.0646303 0.0364352 0.0767508 1.3106812 -0.0018427 0.0246273 -0.0246162 1.1420628 33 Rb 1.1574614 -0.0830837 -0.0157481 -0.0565062 1.3861266 -0.0155653 -0.0054757 -0.0265534 1.1062273 34 Rb 1.1574614 0.0830837 -0.0157481 0.0565062 1.3861266 0.0155653 -0.0054757 0.0265534 1.1062273 35 Rb 1.1574614 -0.0830837 -0.0157481 -0.0565062 1.3861266 -0.0155653 -0.0054757 -0.0265534 1.1062273 36 Rb 1.1574614 0.0830837 -0.0157481 0.0565062 1.3861266 0.0155653 -0.0054757 0.0265534 1.1062273 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 297, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/52) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.898 ( 0.000 0.000 0.000) 0.000 0.975 ( 0.000 0.000 0.000) 0.000 1.049 ( 0.000 0.000 0.000) 0.000 1.240 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.582 ( 0.000 0.000 0.000) 0.000 1.642 ( 0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 0.000) 0.000 1.731 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 1.779 ( 0.000 0.000 0.000) 0.000 1.830 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 1.966 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.806 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 5.104 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 8.092 ( 0.000 0.000 0.000) 0.000 8.244 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 9.559 ( 0.000 0.000 0.000) 0.000 9.745 ( 0.000 0.000 0.000) 0.000 9.845 ( 0.000 0.000 0.000) 0.000 9.950 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 10.156 ( 0.000 0.000 0.000) 0.000 10.177 ( 0.000 0.000 0.000) 0.000 10.297 ( 0.000 0.000 0.000) 0.000 10.435 ( 0.000 0.000 0.000) 0.000 10.487 ( 0.000 0.000 0.000) 0.000 10.805 ( 0.000 0.000 0.000) 0.000 11.203 ( 0.000 0.000 0.000) 0.000 11.370 ( 0.000 0.000 0.000) 0.000 18.321 ( 0.000 0.000 0.000) 0.000 18.434 ( 0.000 0.000 0.000) 0.000 18.437 ( 0.000 0.000 0.000) 0.000 18.738 ( 0.000 0.000 0.000) 0.000 18.820 ( 0.000 0.000 0.000) 0.000 18.892 ( 0.000 0.000 0.000) 0.000 18.978 ( 0.000 0.000 0.000) 0.000 18.978 ( 0.000 0.000 0.000) 0.000 19.363 ( 0.000 0.000 0.000) 0.000 19.453 ( 0.000 0.000 0.000) 0.000 19.746 ( 0.000 0.000 0.000) 0.000 19.930 ( 0.000 0.000 0.000) 0.000 20.328 ( 0.000 0.000 0.000) 0.000 20.373 ( 0.000 0.000 0.000) 0.000 20.408 ( 0.000 0.000 0.000) 0.000 20.473 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/52) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( 9.447 0.000 6.838) 11.662 0.391 ( 17.758 0.000 8.371) 19.632 0.730 ( 33.848 0.000 11.802) 35.846 0.836 ( -2.775 0.000 -5.848) 6.473 1.040 ( 3.268 0.000 4.557) 5.608 1.109 ( 2.464 0.000 6.934) 7.359 1.239 ( 2.335 0.000 -1.899) 3.010 1.425 ( -4.267 0.000 5.286) 6.793 1.467 ( -0.161 0.000 -1.624) 1.632 1.541 ( -7.029 0.000 0.216) 7.032 1.627 ( 0.002 0.000 -2.466) 2.466 1.631 ( -3.706 0.000 8.978) 9.712 1.709 ( 1.434 0.000 -8.343) 8.465 1.771 ( -6.007 0.000 -0.273) 6.013 1.800 ( 3.480 0.000 0.159) 3.484 1.821 ( 4.519 0.000 -1.525) 4.770 1.861 ( -3.523 0.000 -0.157) 3.526 1.879 ( -2.066 0.000 1.719) 2.687 2.087 ( 3.669 0.000 -1.216) 3.865 2.110 ( 4.514 0.000 -0.101) 4.516 2.151 ( 0.858 0.000 -0.564) 1.026 2.159 ( 5.172 0.000 5.579) 7.607 2.174 ( 1.439 0.000 -3.171) 3.482 2.308 ( 2.936 0.000 0.206) 2.943 2.370 ( -2.198 0.000 -3.283) 3.951 2.422 ( -6.112 0.000 3.537) 7.062 2.474 ( -0.728 0.000 -1.299) 1.489 2.513 ( -1.028 0.000 -1.522) 1.836 2.518 ( -1.385 0.000 -0.066) 1.387 2.561 ( -1.976 0.000 -4.763) 5.156 2.585 ( 1.921 0.000 -1.880) 2.688 2.629 ( -0.133 0.000 6.839) 6.841 2.684 ( 1.354 0.000 0.587) 1.476 2.710 ( -9.449 0.000 -5.440) 10.903 2.769 ( -1.628 0.000 7.150) 7.333 2.798 ( 0.866 0.000 -4.810) 4.888 2.840 ( -0.532 0.000 -0.669) 0.855 2.856 ( 3.664 0.000 -3.821) 5.294 2.900 ( -0.798 0.000 3.168) 3.266 2.977 ( -6.429 0.000 1.427) 6.586 2.995 ( 1.662 0.000 -4.269) 4.581 3.116 ( 8.368 0.000 -4.925) 9.709 3.139 ( -0.209 0.000 -4.204) 4.209 3.228 ( -1.011 0.000 0.410) 1.091 3.258 ( -3.171 0.000 -1.666) 3.582 3.277 ( -5.499 0.000 7.071) 8.958 3.359 ( -1.728 0.000 -0.910) 1.953 3.638 ( -1.781 0.000 0.242) 1.798 3.716 ( 0.559 0.000 0.347) 0.658 3.755 ( 2.293 0.000 4.695) 5.225 3.840 ( -1.583 0.000 -3.574) 3.908 4.092 ( 4.692 0.000 -4.964) 6.831 4.141 ( 0.208 0.000 -2.278) 2.288 4.164 ( -0.164 0.000 -3.298) 3.302 4.221 ( -1.665 0.000 0.970) 1.927 4.265 ( 5.830 0.000 -4.046) 7.097 4.383 ( -0.999 0.000 1.276) 1.620 4.397 ( -3.969 0.000 11.247) 11.926 4.465 ( 2.050 0.000 0.785) 2.196 4.510 ( -2.808 0.000 7.719) 8.214 4.670 ( 2.583 0.000 5.969) 6.504 4.699 ( -6.202 0.000 -0.986) 6.280 4.939 ( 3.174 0.000 -0.442) 3.205 5.080 ( -1.623 0.000 1.074) 1.946 5.154 ( 1.731 0.000 0.552) 1.817 5.155 ( -1.626 0.000 -0.748) 1.789 5.211 ( 3.411 0.000 0.363) 3.430 5.274 ( -0.776 0.000 -4.589) 4.654 5.350 ( 0.920 0.000 -1.061) 1.404 5.422 ( -2.307 0.000 1.382) 2.689 5.632 ( 0.155 0.000 0.779) 0.795 5.680 ( 2.417 0.000 -7.701) 8.071 8.047 ( -3.339 0.000 -0.472) 3.372 8.291 ( 3.436 0.000 0.323) 3.451 8.327 ( 1.818 0.000 1.666) 2.466 8.665 ( 0.743 0.000 -0.133) 0.755 8.914 ( 0.383 0.000 1.585) 1.631 9.126 ( 2.553 0.000 -1.637) 3.032 9.141 ( 0.524 0.000 -2.086) 2.150 9.493 ( -5.686 0.000 -2.274) 6.124 9.810 ( 3.865 0.000 -12.651) 13.228 9.858 ( 1.181 0.000 -1.379) 1.816 9.915 ( -3.295 0.000 -0.715) 3.372 10.045 ( -2.087 0.000 -2.332) 3.130 10.165 ( 0.236 0.000 1.631) 1.648 10.243 ( 0.538 0.000 -3.673) 3.712 10.392 ( 5.514 0.000 2.192) 5.933 10.528 ( 1.221 0.000 5.462) 5.597 10.820 ( 2.859 0.000 -1.688) 3.320 11.204 ( 0.158 0.000 -0.018) 0.159 11.244 ( -6.594 0.000 15.923) 17.235 11.339 ( -3.087 0.000 -0.403) 3.113 18.326 ( 0.259 0.000 0.704) 0.750 18.439 ( 0.329 0.000 0.408) 0.524 18.442 ( 1.228 0.000 -4.580) 4.741 18.769 ( 1.477 0.000 2.994) 3.338 18.910 ( 1.747 0.000 0.610) 1.850 18.918 ( -1.715 0.000 1.384) 2.203 19.063 ( 5.562 0.000 -3.472) 6.556 19.095 ( -8.642 0.000 14.301) 16.709 19.389 ( -6.474 0.000 0.176) 6.476 19.769 ( 1.394 0.000 2.236) 2.635 19.940 ( 1.239 0.000 -0.994) 1.588 20.048 ( 4.049 0.000 -11.668) 12.350 20.323 ( -0.490 0.000 0.181) 0.522 20.406 ( -0.219 0.000 0.153) 0.267 20.469 ( -0.045 0.000 -0.736) 0.737 20.660 ( 0.335 0.000 -1.688) 1.721 ======================= Grid point 2 (3/52) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 4.053 0.000 3.434) 5.312 0.755 ( 14.779 0.000 8.004) 16.807 0.757 ( -1.498 0.000 -3.129) 3.470 1.026 ( -5.698 0.000 -4.846) 7.480 1.198 ( 1.526 0.000 4.402) 4.659 1.261 ( 9.197 0.000 5.450) 10.690 1.350 ( -0.449 0.000 5.037) 5.057 1.370 ( -4.442 0.000 -3.888) 5.904 1.461 ( 0.830 0.000 -1.276) 1.523 1.514 ( 20.854 0.000 6.405) 21.815 1.614 ( -2.810 0.000 3.468) 4.464 1.625 ( -1.369 0.000 -0.508) 1.460 1.702 ( -1.633 0.000 8.307) 8.466 1.719 ( 2.388 0.000 -2.806) 3.685 1.753 ( -0.573 0.000 -6.654) 6.679 1.820 ( -2.575 0.000 1.476) 2.968 1.893 ( 1.704 0.000 -3.028) 3.475 1.906 ( 3.648 0.000 0.399) 3.670 2.019 ( -4.207 0.000 -5.171) 6.666 2.095 ( -18.777 0.000 -7.565) 20.244 2.135 ( 2.600 0.000 -1.579) 3.042 2.202 ( 2.611 0.000 0.352) 2.635 2.260 ( 4.170 0.000 4.292) 5.984 2.320 ( -1.908 0.000 0.649) 2.015 2.363 ( -0.337 0.000 4.325) 4.338 2.400 ( -5.522 0.000 -1.844) 5.822 2.410 ( -3.271 0.000 -0.833) 3.375 2.439 ( 5.396 0.000 2.057) 5.775 2.454 ( -4.347 0.000 -4.716) 6.414 2.521 ( 0.258 0.000 0.086) 0.272 2.587 ( 4.437 0.000 -1.456) 4.669 2.638 ( 3.241 0.000 -2.266) 3.954 2.662 ( -1.675 0.000 2.771) 3.238 2.719 ( 0.872 0.000 2.719) 2.855 2.763 ( -0.646 0.000 -3.350) 3.412 2.805 ( -2.008 0.000 12.755) 12.912 2.819 ( 0.012 0.000 -1.813) 1.813 2.871 ( -4.276 0.000 -0.824) 4.355 2.884 ( 0.181 0.000 -8.669) 8.671 2.924 ( 2.477 0.000 -0.552) 2.538 3.005 ( 1.540 0.000 -1.015) 1.844 3.133 ( 1.254 0.000 -0.771) 1.472 3.146 ( -0.424 0.000 -2.309) 2.348 3.193 ( -1.990 0.000 0.104) 1.993 3.226 ( -0.670 0.000 -0.150) 0.686 3.251 ( -3.488 0.000 2.216) 4.133 3.399 ( 7.159 0.000 3.591) 8.009 3.560 ( -6.720 0.000 -1.526) 6.891 3.711 ( -0.166 0.000 -1.304) 1.314 3.781 ( -0.642 0.000 1.413) 1.552 3.805 ( -0.100 0.000 -1.033) 1.037 4.119 ( 0.517 0.000 -2.077) 2.140 4.130 ( 0.165 0.000 -1.373) 1.383 4.169 ( 1.630 0.000 0.182) 1.640 4.198 ( -1.125 0.000 0.549) 1.252 4.338 ( 5.323 0.000 -6.099) 8.095 4.382 ( -0.126 0.000 0.834) 0.844 4.401 ( -4.067 0.000 9.674) 10.494 4.492 ( 0.266 0.000 0.386) 0.468 4.513 ( -0.136 0.000 0.345) 0.371 4.621 ( -1.590 0.000 -0.534) 1.678 4.782 ( 3.677 0.000 5.229) 6.392 4.982 ( 1.620 0.000 -0.317) 1.651 5.038 ( -2.214 0.000 -2.943) 3.683 5.110 ( -1.579 0.000 -0.530) 1.666 5.152 ( -0.764 0.000 0.121) 0.774 5.239 ( -0.371 0.000 -1.351) 1.401 5.287 ( 2.930 0.000 0.542) 2.979 5.353 ( -0.626 0.000 -1.057) 1.228 5.399 ( -0.433 0.000 1.121) 1.202 5.643 ( 0.165 0.000 1.452) 1.461 5.665 ( 0.354 0.000 -3.060) 3.080 7.997 ( -1.514 0.000 -0.202) 1.527 8.343 ( 1.660 0.000 0.065) 1.661 8.367 ( 0.840 0.000 1.210) 1.473 8.692 ( 1.596 0.000 0.125) 1.601 8.930 ( 0.050 0.000 1.097) 1.098 9.137 ( 0.299 0.000 -1.039) 1.081 9.153 ( 1.470 0.000 -1.859) 2.370 9.371 ( -4.296 0.000 -1.042) 4.421 9.793 ( 0.888 0.000 -3.390) 3.504 9.859 ( -1.729 0.000 -0.189) 1.740 9.864 ( 0.028 0.000 0.120) 0.123 10.017 ( -0.340 0.000 -0.464) 0.575 10.185 ( 0.185 0.000 2.194) 2.202 10.222 ( 0.068 0.000 -2.860) 2.861 10.491 ( 5.354 0.000 -2.143) 5.767 10.553 ( -3.457 0.000 5.310) 6.336 10.887 ( 3.860 0.000 -0.376) 3.879 11.207 ( 0.134 0.000 -0.064) 0.148 11.241 ( -1.677 0.000 3.863) 4.212 11.271 ( -2.957 0.000 -0.476) 2.995 18.336 ( 0.196 0.000 0.552) 0.586 18.430 ( 0.127 0.000 -1.476) 1.481 18.447 ( 0.204 0.000 0.252) 0.324 18.794 ( -0.335 0.000 0.987) 1.042 18.961 ( 3.427 0.000 0.102) 3.428 18.970 ( 3.518 0.000 6.180) 7.112 19.031 ( -5.210 0.000 3.117) 6.071 19.093 ( 1.428 0.000 -8.803) 8.918 19.272 ( -5.183 0.000 2.333) 5.684 19.810 ( 0.944 0.000 1.592) 1.850 19.952 ( 0.634 0.000 -0.631) 0.895 20.034 ( 0.790 0.000 -3.532) 3.619 20.316 ( -0.292 0.000 0.102) 0.309 20.404 ( -0.139 0.000 0.100) 0.171 20.463 ( -0.047 0.000 -0.457) 0.460 20.654 ( -0.048 0.000 -0.395) 0.398 ======================= Grid point 5 (4/52) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.265 ( 0.000 12.430 0.000) 12.430 0.372 ( 0.000 18.293 0.000) 18.293 0.709 ( 0.000 28.996 0.000) 28.996 1.036 ( 0.000 4.279 0.000) 4.279 1.170 ( 0.000 20.242 0.000) 20.242 1.177 ( 0.000 8.672 0.000) 8.672 1.372 ( 0.000 11.028 0.000) 11.028 1.435 ( 0.000 -1.606 0.000) 1.606 1.456 ( 0.000 1.153 0.000) 1.153 1.608 ( 0.000 -1.473 0.000) 1.473 1.632 ( 0.000 -6.548 0.000) 6.548 1.699 ( 0.000 8.573 0.000) 8.573 1.736 ( 0.000 2.245 0.000) 2.245 1.748 ( 0.000 1.549 0.000) 1.549 1.818 ( 0.000 -1.366 0.000) 1.366 1.828 ( 0.000 1.884 0.000) 1.884 1.907 ( 0.000 -0.557 0.000) 0.557 1.966 ( 0.000 -2.654 0.000) 2.654 2.034 ( 0.000 3.728 0.000) 3.728 2.061 ( 0.000 1.949 0.000) 1.949 2.086 ( 0.000 2.129 0.000) 2.129 2.151 ( 0.000 -0.297 0.000) 0.297 2.191 ( 0.000 -5.261 0.000) 5.261 2.240 ( 0.000 0.805 0.000) 0.805 2.384 ( 0.000 -3.204 0.000) 3.204 2.405 ( 0.000 -2.056 0.000) 2.056 2.474 ( 0.000 2.424 0.000) 2.424 2.526 ( 0.000 -0.386 0.000) 0.386 2.556 ( 0.000 -0.192 0.000) 0.192 2.594 ( 0.000 2.079 0.000) 2.079 2.636 ( 0.000 -1.887 0.000) 1.887 2.666 ( 0.000 3.301 0.000) 3.301 2.684 ( 0.000 -0.724 0.000) 0.724 2.692 ( 0.000 1.083 0.000) 1.083 2.736 ( 0.000 -1.948 0.000) 1.948 2.781 ( 0.000 -3.057 0.000) 3.057 2.860 ( 0.000 4.869 0.000) 4.869 2.871 ( 0.000 -6.174 0.000) 6.174 2.932 ( 0.000 -1.424 0.000) 1.424 2.972 ( 0.000 3.008 0.000) 3.008 3.095 ( 0.000 2.361 0.000) 2.361 3.097 ( 0.000 3.367 0.000) 3.367 3.124 ( 0.000 -2.899 0.000) 2.899 3.203 ( 0.000 -0.855 0.000) 0.855 3.272 ( 0.000 -3.685 0.000) 3.685 3.381 ( 0.000 3.790 0.000) 3.790 3.391 ( 0.000 0.333 0.000) 0.333 3.611 ( 0.000 -7.409 0.000) 7.409 3.681 ( 0.000 0.917 0.000) 0.917 3.761 ( 0.000 0.698 0.000) 0.698 3.828 ( 0.000 0.532 0.000) 0.532 3.868 ( 0.000 -0.324 0.000) 0.324 4.063 ( 0.000 -1.934 0.000) 1.934 4.166 ( 0.000 0.751 0.000) 0.751 4.207 ( 0.000 -0.702 0.000) 0.702 4.223 ( 0.000 1.712 0.000) 1.712 4.295 ( 0.000 -5.101 0.000) 5.101 4.401 ( 0.000 -2.389 0.000) 2.389 4.434 ( 0.000 2.052 0.000) 2.052 4.617 ( 0.000 -0.615 0.000) 0.615 4.654 ( 0.000 -0.929 0.000) 0.929 4.664 ( 0.000 0.048 0.000) 0.048 4.813 ( 0.000 0.550 0.000) 0.550 4.944 ( 0.000 -0.886 0.000) 0.886 5.162 ( 0.000 -0.725 0.000) 0.725 5.163 ( 0.000 0.308 0.000) 0.308 5.224 ( 0.000 1.918 0.000) 1.918 5.330 ( 0.000 -1.286 0.000) 1.286 5.348 ( 0.000 -5.513 0.000) 5.513 5.593 ( 0.000 -4.341 0.000) 4.341 5.603 ( 0.000 -1.849 0.000) 1.849 5.667 ( 0.000 -2.781 0.000) 2.781 8.099 ( 0.000 0.638 0.000) 0.638 8.237 ( 0.000 -0.530 0.000) 0.530 8.319 ( 0.000 1.348 0.000) 1.348 8.598 ( 0.000 -6.194 0.000) 6.194 8.887 ( 0.000 -1.587 0.000) 1.587 8.983 ( 0.000 -8.090 0.000) 8.090 9.062 ( 0.000 -7.689 0.000) 7.689 9.489 ( 0.000 -6.555 0.000) 6.555 9.726 ( 0.000 -1.215 0.000) 1.215 9.806 ( 0.000 -2.766 0.000) 2.766 10.003 ( 0.000 2.006 0.000) 2.006 10.166 ( 0.000 -0.220 0.000) 0.220 10.272 ( 0.000 9.248 0.000) 9.248 10.414 ( 0.000 6.340 0.000) 6.340 10.444 ( 0.000 3.125 0.000) 3.125 10.575 ( 0.000 7.639 0.000) 7.639 10.860 ( 0.000 4.539 0.000) 4.539 10.985 ( 0.000 -3.288 0.000) 3.288 11.190 ( 0.000 -1.238 0.000) 1.238 11.350 ( 0.000 -2.769 0.000) 2.769 18.333 ( 0.000 1.091 0.000) 1.091 18.434 ( 0.000 -0.205 0.000) 0.205 18.703 ( 0.000 -2.033 0.000) 2.033 18.819 ( 0.000 -0.164 0.000) 0.164 18.837 ( 0.000 0.651 0.000) 0.651 18.901 ( 0.000 0.649 0.000) 0.649 19.030 ( 0.000 3.873 0.000) 3.873 19.344 ( 0.000 -3.032 0.000) 3.032 19.440 ( 0.000 6.504 0.000) 6.504 19.693 ( 0.000 -4.455 0.000) 4.455 19.884 ( 0.000 -4.017 0.000) 4.017 20.029 ( 0.000 0.061 0.000) 0.061 20.325 ( 0.000 0.101 0.000) 0.101 20.397 ( 0.000 1.748 0.000) 1.748 20.405 ( 0.000 -0.262 0.000) 0.262 20.492 ( 0.000 -0.396 0.000) 0.396 ======================= Grid point 6 (5/52) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 13.764 6.577 5.804) 16.322 0.541 ( 10.291 13.819 5.548) 18.101 0.924 ( 17.621 18.057 4.531) 25.634 1.000 ( -1.321 5.158 -2.839) 6.034 1.129 ( -1.078 11.265 1.939) 11.482 1.246 ( 0.971 10.455 6.947) 12.591 1.332 ( -0.976 8.111 -3.405) 8.851 1.423 ( -3.351 -1.562 2.396) 4.406 1.470 ( 3.115 4.048 -0.276) 5.115 1.541 ( -4.523 1.646 -4.405) 6.525 1.658 ( 2.241 -5.869 -2.757) 6.861 1.675 ( -3.144 2.134 -0.149) 3.803 1.737 ( -1.471 1.562 0.326) 2.170 1.753 ( 0.415 4.049 5.228) 6.626 1.786 ( -1.072 3.014 -0.126) 3.202 1.822 ( -5.709 -1.910 -3.952) 7.201 1.871 ( 2.792 4.153 0.801) 5.068 1.931 ( -3.424 1.665 1.244) 4.006 2.073 ( 5.454 -1.899 0.004) 5.775 2.101 ( 1.089 -1.306 -2.132) 2.727 2.149 ( 1.475 1.005 0.737) 1.931 2.165 ( 2.051 0.346 1.032) 2.322 2.201 ( 4.399 1.567 2.805) 5.447 2.274 ( 2.761 -0.377 -0.134) 2.789 2.357 ( -1.572 -2.883 -0.285) 3.296 2.408 ( -2.679 0.306 1.423) 3.049 2.463 ( -3.799 1.870 0.600) 4.277 2.502 ( 1.141 -0.573 -1.815) 2.219 2.542 ( -0.071 -3.024 0.094) 3.026 2.580 ( -0.760 1.200 -2.342) 2.739 2.595 ( -2.017 0.692 2.352) 3.175 2.619 ( -3.177 1.035 -5.236) 6.211 2.669 ( 0.349 -0.212 2.197) 2.235 2.719 ( -1.035 -0.141 -4.083) 4.215 2.780 ( 0.263 -3.312 0.845) 3.428 2.813 ( 1.086 2.406 4.994) 5.648 2.837 ( 2.511 -1.456 -2.672) 3.945 2.875 ( -3.349 -0.431 -3.980) 5.220 2.905 ( -2.302 3.375 3.069) 5.109 2.957 ( 0.139 2.284 1.311) 2.638 3.045 ( -3.161 0.475 -4.136) 5.227 3.076 ( 3.442 -1.231 -2.618) 4.496 3.166 ( 1.566 0.633 -1.187) 2.065 3.201 ( -0.978 -3.029 0.740) 3.268 3.233 ( -0.862 0.952 -1.064) 1.668 3.318 ( -6.233 2.152 2.351) 7.000 3.352 ( -2.454 -0.005 1.102) 2.690 3.620 ( -1.275 -4.707 -1.556) 5.118 3.690 ( 0.810 0.043 -0.084) 0.815 3.747 ( 1.082 -0.605 3.366) 3.587 3.833 ( -1.745 -0.404 -3.430) 3.870 4.005 ( 6.482 -5.521 0.758) 8.548 4.078 ( 1.098 -3.285 1.405) 3.738 4.158 ( -0.966 -0.392 -0.583) 1.195 4.210 ( 2.679 -0.101 -3.710) 4.577 4.246 ( 2.329 -1.105 -0.421) 2.612 4.329 ( 0.298 -2.117 5.201) 5.623 4.383 ( 0.547 -2.030 -1.656) 2.676 4.461 ( -0.018 -0.336 2.724) 2.745 4.539 ( -4.827 0.993 3.598) 6.101 4.654 ( -0.517 0.138 2.369) 2.429 4.719 ( -2.867 0.687 0.496) 2.990 4.805 ( 8.216 -4.558 -1.620) 9.534 5.044 ( 3.464 -1.894 1.167) 4.117 5.134 ( -1.418 -0.256 -0.436) 1.505 5.183 ( 0.807 0.041 -0.181) 0.828 5.234 ( 1.505 1.221 -0.212) 1.949 5.332 ( -0.531 -1.429 -0.909) 1.775 5.346 ( -0.001 -3.626 -0.729) 3.698 5.448 ( -7.730 1.942 -1.136) 8.051 5.624 ( 0.152 -1.667 0.331) 1.707 5.656 ( 0.536 -2.190 -3.165) 3.886 8.056 ( -3.377 0.922 0.200) 3.506 8.279 ( 2.983 -1.305 0.292) 3.269 8.330 ( 0.834 0.108 0.596) 1.031 8.609 ( 1.341 -5.079 0.494) 5.276 8.862 ( -1.032 -2.622 0.874) 2.950 9.009 ( 2.391 -7.750 -1.872) 8.323 9.071 ( 1.443 -7.265 -0.984) 7.472 9.419 ( -5.887 -6.109 -2.721) 8.909 9.718 ( 1.022 -2.861 -3.309) 4.492 9.829 ( 2.060 -1.999 -1.941) 3.465 9.973 ( -2.208 3.640 0.626) 4.303 10.179 ( -2.213 4.069 -1.120) 4.765 10.282 ( 1.411 8.056 1.104) 8.253 10.352 ( -0.819 8.743 -3.579) 9.483 10.452 ( 0.533 3.945 2.025) 4.467 10.588 ( 0.752 6.377 0.604) 6.450 10.795 ( 1.662 -0.878 -2.424) 3.068 11.153 ( 2.964 -4.623 6.636) 8.613 11.211 ( 0.423 -0.442 4.629) 4.669 11.321 ( -2.942 -2.102 0.192) 3.621 18.338 ( 0.257 1.077 0.630) 1.274 18.435 ( 0.263 0.099 -0.593) 0.656 18.618 ( -6.125 8.685 -6.170) 12.289 18.731 ( -1.462 -2.098 3.990) 4.739 18.859 ( 1.786 -1.301 2.969) 3.700 18.925 ( 1.887 0.591 1.769) 2.653 19.075 ( 2.635 2.322 -3.158) 4.723 19.296 ( -8.035 7.965 6.421) 13.008 19.355 ( -4.879 -1.230 -3.990) 6.422 19.739 ( 2.236 -2.015 4.400) 5.331 19.791 ( 0.603 -8.749 -6.932) 11.179 20.085 ( 2.371 0.706 -3.717) 4.465 20.324 ( -0.551 0.134 0.358) 0.671 20.400 ( -0.454 -0.550 0.171) 0.733 20.468 ( 1.056 0.025 -0.203) 1.076 20.577 ( 5.851 -3.414 2.918) 7.376 ======================= Grid point 7 (6/52) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 4.662 12.071 6.128) 14.317 0.776 ( 12.006 6.951 3.340) 14.270 0.916 ( -2.155 8.372 -3.848) 9.462 1.086 ( -4.413 8.020 -2.569) 9.508 1.208 ( 2.556 -0.566 4.851) 5.512 1.324 ( -0.472 -1.820 0.301) 1.904 1.353 ( 1.775 9.703 1.027) 9.918 1.393 ( 0.917 1.363 3.332) 3.715 1.442 ( 1.200 0.258 0.747) 1.437 1.565 ( -2.500 1.269 -0.450) 2.839 1.633 ( 3.782 1.297 -2.147) 4.538 1.651 ( 3.313 1.388 -2.922) 4.631 1.697 ( 1.179 1.041 -1.262) 2.016 1.772 ( 0.935 1.831 2.845) 3.510 1.787 ( 1.955 0.567 -2.762) 3.431 1.824 ( 3.841 5.591 6.045) 9.086 1.862 ( -3.313 -0.812 0.534) 3.452 1.930 ( 1.138 3.622 0.669) 3.855 2.048 ( -2.713 0.851 -3.516) 4.522 2.112 ( -1.905 0.167 -2.038) 2.795 2.140 ( -9.695 2.507 -3.675) 10.667 2.204 ( -0.249 -0.206 0.279) 0.427 2.243 ( 0.794 -0.528 1.951) 2.171 2.314 ( -2.046 -0.887 0.041) 2.231 2.337 ( -1.432 -0.324 -1.998) 2.479 2.372 ( 3.448 0.379 4.581) 5.746 2.414 ( 2.565 -0.238 1.386) 2.925 2.498 ( -1.611 1.256 -1.883) 2.778 2.522 ( 0.114 -0.338 0.196) 0.407 2.543 ( -2.810 4.874 -1.725) 5.885 2.582 ( 2.284 0.275 -1.945) 3.012 2.602 ( 2.173 -1.579 0.484) 2.730 2.700 ( 0.346 -1.677 2.476) 3.011 2.714 ( 2.136 1.103 -0.492) 2.453 2.741 ( -1.260 -0.638 -3.384) 3.667 2.769 ( -5.840 -0.313 2.987) 6.567 2.847 ( -0.029 2.549 3.391) 4.242 2.880 ( 1.019 1.780 0.606) 2.139 2.922 ( 1.961 0.242 -4.733) 5.129 2.961 ( -0.695 2.776 -1.963) 3.470 3.014 ( 2.006 -0.126 1.784) 2.687 3.085 ( -0.846 -2.569 -0.400) 2.734 3.141 ( 0.036 -2.075 -4.369) 4.836 3.178 ( -3.244 -0.829 2.643) 4.265 3.213 ( -1.193 1.365 -0.999) 2.070 3.277 ( -2.469 1.683 1.313) 3.263 3.383 ( 6.704 -1.369 3.806) 7.830 3.541 ( -6.081 -2.195 -2.563) 6.955 3.698 ( 0.252 -0.813 -0.722) 1.116 3.758 ( -0.679 -1.930 0.661) 2.150 3.795 ( -0.262 -0.778 -0.878) 1.202 4.073 ( 1.733 -4.468 -0.212) 4.797 4.091 ( 0.227 -2.266 -0.573) 2.348 4.139 ( -0.508 0.361 -0.389) 0.735 4.242 ( 2.133 -2.385 -0.878) 3.318 4.265 ( -0.545 -1.992 0.343) 2.094 4.357 ( 0.691 -0.514 0.751) 1.143 4.401 ( 0.565 -2.270 0.849) 2.489 4.462 ( -0.938 -2.423 1.188) 2.857 4.503 ( -1.262 -0.568 0.894) 1.648 4.646 ( -0.008 2.090 0.301) 2.111 4.758 ( 2.137 -1.430 2.872) 3.855 4.922 ( 5.936 -3.504 -0.755) 6.934 5.030 ( -4.443 -1.517 -0.144) 4.697 5.115 ( -0.193 0.337 -0.280) 0.479 5.186 ( -0.458 1.542 -0.374) 1.651 5.228 ( -2.064 -1.262 -1.569) 2.883 5.291 ( 0.544 -2.031 -0.124) 2.106 5.345 ( -0.224 -0.567 -0.339) 0.698 5.409 ( 0.800 1.703 0.265) 1.900 5.628 ( -0.029 -2.000 0.704) 2.120 5.643 ( -0.008 -1.728 -1.416) 2.234 8.009 ( -1.478 1.182 0.028) 1.892 8.315 ( 0.607 -3.694 0.507) 3.777 8.354 ( 1.083 -0.032 0.077) 1.086 8.649 ( 1.735 -4.319 0.598) 4.693 8.865 ( 0.090 -4.010 0.934) 4.118 9.021 ( 0.474 -7.522 -1.310) 7.650 9.113 ( 3.342 -5.039 -0.483) 6.066 9.278 ( -6.021 -6.884 -1.824) 9.326 9.716 ( 0.548 -2.891 -1.402) 3.259 9.844 ( 0.632 -1.232 -0.647) 1.529 9.946 ( -1.208 5.777 0.808) 5.957 10.120 ( -1.489 6.216 -1.386) 6.540 10.318 ( 1.027 9.747 1.899) 9.983 10.341 ( 0.381 9.192 -2.283) 9.479 10.470 ( 0.416 -2.158 0.580) 2.273 10.592 ( -0.604 4.133 0.673) 4.231 10.851 ( 3.097 -2.812 0.530) 4.217 11.200 ( 2.580 -1.925 -3.552) 4.794 11.228 ( -3.255 -1.132 5.488) 6.480 11.276 ( -1.364 0.913 0.922) 1.883 18.347 ( 0.215 1.023 0.456) 1.141 18.434 ( 0.097 0.591 -0.491) 0.774 18.531 ( -1.384 6.933 -0.964) 7.136 18.735 ( -0.277 -3.552 0.868) 3.667 18.947 ( 3.822 -0.191 4.867) 6.191 18.985 ( 2.169 0.399 2.488) 3.325 19.070 ( 0.296 1.766 -3.471) 3.906 19.166 ( -5.484 5.419 -5.554) 9.502 19.266 ( -3.509 -0.393 2.684) 4.436 19.777 ( 0.812 -11.799 -2.183) 12.027 19.804 ( 1.384 0.039 2.230) 2.625 20.086 ( 0.378 1.503 -1.607) 2.233 20.318 ( -0.243 0.201 0.157) 0.353 20.392 ( -0.331 -0.944 -0.060) 1.002 20.475 ( 0.258 0.994 -0.257) 1.059 20.648 ( 1.215 -0.675 0.573) 1.504 ======================= Grid point 10 (7/52) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 0.000 10.974 0.000) 10.974 0.740 ( 0.000 16.532 0.000) 16.532 1.007 ( 0.000 -0.359 0.000) 0.359 1.220 ( 0.000 12.615 0.000) 12.615 1.376 ( 0.000 4.526 0.000) 4.526 1.383 ( 0.000 0.392 0.000) 0.392 1.468 ( 0.000 2.502 0.000) 2.502 1.504 ( 0.000 -0.924 0.000) 0.924 1.579 ( 0.000 3.872 0.000) 3.872 1.625 ( 0.000 14.068 0.000) 14.068 1.682 ( 0.000 9.491 0.000) 9.491 1.755 ( 0.000 -1.810 0.000) 1.810 1.778 ( 0.000 -0.048 0.000) 0.048 1.782 ( 0.000 0.002 0.000) 0.002 1.833 ( 0.000 2.980 0.000) 2.980 1.853 ( 0.000 1.845 0.000) 1.845 1.926 ( 0.000 -0.400 0.000) 0.400 1.932 ( 0.000 2.819 0.000) 2.819 2.046 ( 0.000 -3.219 0.000) 3.219 2.079 ( 0.000 -2.801 0.000) 2.801 2.100 ( 0.000 1.163 0.000) 1.163 2.151 ( 0.000 1.809 0.000) 1.809 2.219 ( 0.000 6.360 0.000) 6.360 2.271 ( 0.000 3.460 0.000) 3.460 2.333 ( 0.000 -0.179 0.000) 0.179 2.357 ( 0.000 -2.699 0.000) 2.699 2.467 ( 0.000 -2.120 0.000) 2.120 2.534 ( 0.000 1.036 0.000) 1.036 2.579 ( 0.000 -3.857 0.000) 3.857 2.605 ( 0.000 -0.643 0.000) 0.643 2.607 ( 0.000 -4.191 0.000) 4.191 2.635 ( 0.000 0.488 0.000) 0.488 2.654 ( 0.000 -1.435 0.000) 1.435 2.730 ( 0.000 4.264 0.000) 4.264 2.742 ( 0.000 -0.911 0.000) 0.911 2.768 ( 0.000 -0.279 0.000) 0.279 2.783 ( 0.000 2.624 0.000) 2.624 2.899 ( 0.000 -1.087 0.000) 1.087 2.963 ( 0.000 4.176 0.000) 4.176 3.003 ( 0.000 -8.319 0.000) 8.319 3.024 ( 0.000 1.692 0.000) 1.692 3.139 ( 0.000 1.037 0.000) 1.037 3.144 ( 0.000 0.737 0.000) 0.737 3.207 ( 0.000 -0.397 0.000) 0.397 3.222 ( 0.000 2.461 0.000) 2.461 3.374 ( 0.000 -3.840 0.000) 3.840 3.453 ( 0.000 -5.246 0.000) 5.246 3.501 ( 0.000 7.380 0.000) 7.380 3.690 ( 0.000 -0.757 0.000) 0.757 3.780 ( 0.000 1.083 0.000) 1.083 3.819 ( 0.000 -1.163 0.000) 1.163 3.869 ( 0.000 -0.026 0.000) 0.026 4.068 ( 0.000 3.057 0.000) 3.057 4.169 ( 0.000 -0.721 0.000) 0.721 4.170 ( 0.000 -6.385 0.000) 6.385 4.201 ( 0.000 0.336 0.000) 0.336 4.235 ( 0.000 -0.133 0.000) 0.133 4.365 ( 0.000 -0.234 0.000) 0.234 4.450 ( 0.000 -1.229 0.000) 1.229 4.594 ( 0.000 -1.673 0.000) 1.673 4.630 ( 0.000 -1.060 0.000) 1.060 4.657 ( 0.000 -0.689 0.000) 0.689 4.823 ( 0.000 0.374 0.000) 0.374 4.925 ( 0.000 -0.936 0.000) 0.936 5.152 ( 0.000 0.013 0.000) 0.013 5.183 ( 0.000 1.149 0.000) 1.149 5.243 ( 0.000 -3.911 0.000) 3.911 5.248 ( 0.000 0.110 0.000) 0.110 5.309 ( 0.000 -0.319 0.000) 0.319 5.464 ( 0.000 -6.484 0.000) 6.484 5.542 ( 0.000 -3.888 0.000) 3.888 5.578 ( 0.000 -5.665 0.000) 5.665 8.117 ( 0.000 1.078 0.000) 1.078 8.222 ( 0.000 -1.058 0.000) 1.058 8.332 ( 0.000 -0.506 0.000) 0.506 8.456 ( 0.000 -6.489 0.000) 6.489 8.840 ( 0.000 -2.699 0.000) 2.699 8.867 ( 0.000 -1.636 0.000) 1.636 8.888 ( 0.000 -7.223 0.000) 7.223 9.320 ( 0.000 -9.342 0.000) 9.342 9.710 ( 0.000 -0.311 0.000) 0.311 9.755 ( 0.000 -1.963 0.000) 1.963 10.041 ( 0.000 1.475 0.000) 1.475 10.137 ( 0.000 -2.253 0.000) 2.253 10.476 ( 0.000 9.279 0.000) 9.279 10.527 ( 0.000 6.248 0.000) 6.248 10.590 ( 0.000 8.026 0.000) 8.026 10.732 ( 0.000 6.238 0.000) 6.238 10.902 ( 0.000 -4.377 0.000) 4.377 10.968 ( 0.000 5.353 0.000) 5.353 11.151 ( 0.000 -2.609 0.000) 2.609 11.257 ( 0.000 -5.967 0.000) 5.967 18.363 ( 0.000 1.682 0.000) 1.682 18.433 ( 0.000 0.002 0.000) 0.002 18.686 ( 0.000 0.725 0.000) 0.725 18.822 ( 0.000 0.582 0.000) 0.582 18.849 ( 0.000 0.153 0.000) 0.153 18.903 ( 0.000 -0.857 0.000) 0.857 19.114 ( 0.000 3.985 0.000) 3.985 19.276 ( 0.000 -2.789 0.000) 2.789 19.574 ( 0.000 4.056 0.000) 4.056 19.589 ( 0.000 -4.827 0.000) 4.827 19.802 ( 0.000 -1.867 0.000) 1.867 20.016 ( 0.000 -1.564 0.000) 1.564 20.336 ( 0.000 0.871 0.000) 0.871 20.395 ( 0.000 -0.703 0.000) 0.703 20.432 ( 0.000 1.447 0.000) 1.447 20.483 ( 0.000 -0.428 0.000) 0.428 ======================= Grid point 11 (8/52) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 8.219 7.297 1.368) 11.076 0.797 ( 6.342 11.676 2.792) 13.577 0.999 ( -1.061 -3.107 -1.478) 3.600 1.226 ( 1.346 7.780 -2.670) 8.335 1.317 ( -3.344 4.927 4.953) 7.746 1.406 ( -2.032 0.785 -2.698) 3.468 1.456 ( -0.418 6.322 -2.867) 6.954 1.522 ( 0.507 0.755 -0.521) 1.048 1.541 ( -1.018 3.791 -1.159) 4.093 1.627 ( 0.824 3.633 -5.459) 6.609 1.676 ( -0.685 9.234 -0.688) 9.285 1.695 ( 1.651 5.967 1.852) 6.462 1.741 ( -2.218 -0.830 -1.639) 2.881 1.789 ( -1.753 2.958 -0.411) 3.462 1.826 ( -1.633 1.227 2.443) 3.184 1.877 ( 1.103 1.986 1.827) 2.915 1.931 ( -4.195 -0.657 -0.025) 4.246 1.982 ( 1.399 4.535 0.800) 4.813 2.039 ( 4.360 -1.719 3.578) 5.896 2.069 ( 2.285 -0.588 -1.538) 2.817 2.185 ( 5.024 1.977 2.727) 6.049 2.188 ( -0.274 1.758 -0.732) 1.924 2.238 ( 4.323 0.277 4.098) 5.964 2.297 ( -0.592 3.517 3.770) 5.190 2.317 ( -1.610 -0.266 0.128) 1.637 2.381 ( -2.700 -3.596 1.596) 4.772 2.467 ( -2.775 0.090 -1.002) 2.951 2.480 ( -0.340 -0.385 1.071) 1.188 2.498 ( -1.042 -2.521 -5.432) 6.078 2.576 ( -3.056 -0.064 -0.210) 3.064 2.594 ( 0.619 -2.711 0.044) 2.782 2.664 ( 0.290 0.012 -3.113) 3.127 2.683 ( -2.805 -0.463 0.604) 2.907 2.716 ( 0.221 4.566 1.201) 4.727 2.728 ( -0.058 -0.490 -0.609) 0.784 2.740 ( 3.574 -5.599 -1.249) 6.759 2.850 ( 3.846 0.143 -6.059) 7.178 2.901 ( -0.413 1.699 3.808) 4.190 2.962 ( -0.789 -0.866 -3.024) 3.243 2.983 ( -1.109 1.460 3.080) 3.585 3.035 ( -2.673 -0.387 2.447) 3.645 3.109 ( 1.647 3.028 -2.537) 4.280 3.115 ( -1.677 -2.495 -0.226) 3.014 3.185 ( -4.010 0.744 0.253) 4.086 3.259 ( 2.775 1.869 2.798) 4.362 3.344 ( -0.366 -0.174 -2.760) 2.790 3.390 ( -5.068 0.782 0.171) 5.131 3.532 ( 0.651 1.365 1.315) 2.004 3.689 ( 0.148 -1.406 0.250) 1.436 3.745 ( -1.232 0.808 -1.033) 1.799 3.831 ( -2.130 -0.067 -2.424) 3.227 3.925 ( 5.058 -2.893 1.531) 6.025 4.052 ( -0.824 1.146 0.111) 1.415 4.148 ( -0.621 -1.576 -2.429) 2.961 4.177 ( 0.157 -4.330 1.399) 4.554 4.219 ( 1.038 1.130 0.333) 1.570 4.279 ( 2.786 -1.694 2.312) 3.997 4.356 ( 0.760 -0.749 -3.607) 3.762 4.443 ( -1.647 -1.966 1.621) 3.034 4.543 ( -4.319 -0.460 3.254) 5.427 4.661 ( 0.509 -0.170 0.931) 1.075 4.710 ( 3.007 -2.041 -0.990) 3.766 4.762 ( 1.117 0.747 -1.209) 1.808 4.988 ( 1.956 -3.430 1.184) 4.122 5.126 ( -1.957 -0.279 0.321) 2.003 5.192 ( 0.570 0.476 -0.928) 1.189 5.224 ( -0.477 -2.186 -0.004) 2.237 5.268 ( 0.062 -1.814 -1.245) 2.201 5.322 ( 1.528 -0.205 -1.040) 1.860 5.427 ( -1.722 -2.049 0.030) 2.677 5.553 ( 0.600 -4.574 0.100) 4.614 5.580 ( -0.000 -5.198 0.019) 5.198 8.082 ( -3.023 1.420 0.577) 3.389 8.230 ( -0.489 -3.211 0.309) 3.263 8.330 ( 1.378 -0.001 -0.721) 1.555 8.488 ( 2.399 -5.802 0.538) 6.301 8.820 ( -1.487 -1.802 0.795) 2.468 8.878 ( 0.902 -4.262 -1.084) 4.489 8.919 ( 3.333 -4.750 0.109) 5.804 9.268 ( -4.616 -8.061 -2.013) 9.505 9.697 ( 0.359 0.231 -1.560) 1.617 9.786 ( 2.606 -2.017 -1.740) 3.726 10.040 ( -0.512 2.645 2.310) 3.549 10.185 ( 2.086 -2.242 4.209) 5.205 10.447 ( -1.864 7.266 -2.349) 7.860 10.514 ( -0.981 6.671 -1.103) 6.832 10.580 ( -0.597 7.116 -0.866) 7.194 10.728 ( -1.195 5.552 -1.769) 5.948 10.792 ( -1.323 0.567 -2.788) 3.138 11.099 ( 4.564 -0.487 4.408) 6.364 11.185 ( 1.479 -1.877 2.507) 3.464 11.242 ( -1.344 -5.517 1.233) 5.811 18.367 ( 0.272 1.671 0.478) 1.759 18.440 ( 0.631 0.239 0.210) 0.706 18.684 ( 0.360 0.802 -1.416) 1.667 18.780 ( -5.945 4.480 1.296) 7.556 18.855 ( 2.224 0.491 3.453) 4.137 18.922 ( 1.644 -1.385 1.338) 2.532 19.139 ( 1.899 3.494 -2.261) 4.574 19.261 ( -2.191 -3.087 2.163) 4.360 19.416 ( -5.859 -0.121 -10.178) 11.745 19.615 ( -3.657 -7.641 -7.058) 11.026 19.767 ( 1.371 4.894 7.454) 9.022 20.072 ( 2.326 -1.839 -0.024) 2.965 20.331 ( -0.632 0.507 0.320) 0.871 20.385 ( -0.826 -0.897 -0.019) 1.219 20.475 ( 1.945 0.709 0.565) 2.146 20.538 ( 4.650 -1.050 2.898) 5.579 ======================= Grid point 12 (9/52) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 3.697 0.145 3.005) 4.766 0.945 ( -1.992 -3.061 -1.336) 3.889 0.999 ( 10.906 6.989 1.283) 13.017 1.203 ( -6.521 0.176 -0.311) 6.530 1.277 ( -0.785 1.239 -0.477) 1.543 1.363 ( -0.608 5.646 -3.973) 6.930 1.413 ( 0.778 6.303 5.668) 8.512 1.500 ( -0.900 5.645 0.114) 5.717 1.520 ( -1.747 -1.484 -4.737) 5.263 1.630 ( -2.375 2.501 -2.617) 4.329 1.667 ( -0.007 11.499 -1.538) 11.601 1.690 ( 2.471 2.271 -2.676) 4.292 1.732 ( 1.625 0.460 -0.575) 1.783 1.814 ( -5.018 0.121 2.919) 5.807 1.827 ( 6.442 4.468 1.537) 7.989 1.872 ( -0.167 1.720 0.963) 1.978 1.937 ( 4.811 2.633 1.124) 5.598 2.020 ( 0.129 2.648 3.528) 4.413 2.063 ( -1.338 1.319 -2.106) 2.822 2.112 ( 2.321 -0.872 1.428) 2.861 2.181 ( -10.019 -0.966 -0.796) 10.097 2.196 ( -2.215 1.339 0.864) 2.729 2.267 ( 0.981 2.055 0.368) 2.307 2.300 ( 0.396 -0.690 2.466) 2.592 2.323 ( -1.642 -0.594 -3.603) 4.004 2.370 ( 5.020 -0.476 3.418) 6.092 2.418 ( 0.630 -0.415 2.224) 2.348 2.480 ( -0.361 -2.283 -2.275) 3.243 2.520 ( 0.692 0.784 2.674) 2.871 2.547 ( -0.491 -0.778 -2.364) 2.537 2.596 ( -1.898 -0.100 -2.584) 3.208 2.603 ( 0.164 -0.336 -0.711) 0.803 2.669 ( 1.649 -1.998 -0.879) 2.736 2.710 ( -1.939 0.835 0.828) 2.267 2.743 ( 1.197 1.890 1.643) 2.775 2.805 ( 2.541 -4.301 -2.203) 5.459 2.865 ( 2.275 -1.529 -2.428) 3.661 2.889 ( -2.330 -0.692 0.894) 2.590 2.945 ( 0.306 4.348 -1.167) 4.512 2.966 ( -0.801 1.095 0.584) 1.477 3.032 ( -0.149 1.605 2.660) 3.110 3.064 ( -3.384 0.389 0.522) 3.446 3.115 ( -0.707 -0.716 1.771) 2.037 3.143 ( -0.259 -0.892 -2.867) 3.013 3.322 ( -0.972 6.572 -0.934) 6.708 3.326 ( -0.485 3.186 0.558) 3.270 3.364 ( 5.498 0.686 3.050) 6.325 3.499 ( -4.319 0.757 -2.122) 4.871 3.692 ( 0.133 -0.793 0.054) 0.806 3.714 ( -0.996 -1.099 -0.759) 1.666 3.782 ( -1.146 -0.631 -0.867) 1.570 3.989 ( 1.560 -3.821 -0.186) 4.131 4.051 ( 0.012 -0.832 0.631) 1.044 4.128 ( -0.036 -1.820 -0.933) 2.045 4.189 ( 0.244 -4.726 0.405) 4.750 4.228 ( -0.303 2.098 0.639) 2.214 4.336 ( 1.219 -2.424 1.455) 3.079 4.354 ( 1.449 -1.931 -2.433) 3.428 4.419 ( -1.046 -0.832 -0.145) 1.344 4.486 ( -3.249 -1.852 1.898) 4.194 4.687 ( 1.603 1.154 0.525) 2.043 4.724 ( 0.110 -1.608 0.525) 1.695 4.849 ( 5.407 -3.330 -0.864) 6.408 4.980 ( -2.902 -3.399 0.612) 4.511 5.109 ( -0.064 -0.707 0.462) 0.847 5.173 ( -1.685 -2.536 -1.743) 3.508 5.224 ( 0.117 -1.760 0.110) 1.767 5.231 ( -1.100 1.385 -0.446) 1.824 5.347 ( 1.201 0.321 -0.363) 1.295 5.432 ( 0.812 0.168 0.262) 0.869 5.562 ( 0.394 -4.280 0.038) 4.299 5.577 ( -0.283 -4.602 0.053) 4.611 8.042 ( -1.384 1.737 0.258) 2.236 8.215 ( -0.720 -5.037 0.249) 5.095 8.360 ( 1.406 0.464 -0.428) 1.541 8.529 ( 1.276 -6.137 0.368) 6.279 8.810 ( -0.317 -1.501 0.637) 1.661 8.879 ( 0.158 -5.336 -0.685) 5.383 9.007 ( 5.672 -3.707 1.243) 6.889 9.143 ( -6.648 -5.712 -2.355) 9.075 9.700 ( 0.605 0.729 -0.849) 1.272 9.809 ( 0.967 -1.858 -0.777) 2.234 10.060 ( 0.401 4.762 2.288) 5.298 10.220 ( -0.503 2.220 0.540) 2.340 10.406 ( -0.650 0.221 -0.268) 0.737 10.508 ( 1.250 6.359 0.193) 6.483 10.556 ( -1.168 7.560 -2.573) 8.070 10.657 ( -2.256 1.024 -1.210) 2.757 10.828 ( 1.957 2.488 1.249) 3.403 11.160 ( 1.245 -1.758 -2.721) 3.471 11.191 ( -1.085 -1.704 3.523) 4.061 11.263 ( 0.733 -2.876 1.888) 3.517 18.376 ( 0.209 1.615 0.310) 1.657 18.452 ( 0.354 0.702 0.089) 0.792 18.683 ( 1.219 2.683 -2.261) 3.714 18.705 ( -3.406 5.460 2.287) 6.830 18.936 ( 2.511 -1.907 3.040) 4.380 18.978 ( 2.291 -0.611 3.676) 4.375 19.122 ( -0.445 3.400 -4.603) 5.740 19.228 ( -3.609 0.455 -2.340) 4.325 19.256 ( -2.963 -1.132 -1.172) 3.381 19.527 ( -0.706 -11.150 -3.716) 11.774 19.847 ( 1.372 4.093 3.334) 5.454 20.088 ( 0.286 -1.089 -0.477) 1.223 20.325 ( -0.166 0.424 0.154) 0.480 20.370 ( -0.504 -1.046 -0.175) 1.174 20.502 ( 0.709 1.521 0.130) 1.683 20.623 ( 2.005 -1.646 1.360) 2.928 ======================= Grid point 15 (10/52) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 9.868 0.000) 9.868 0.913 ( 0.000 -7.384 0.000) 7.384 1.051 ( 0.000 12.942 0.000) 12.942 1.268 ( 0.000 -7.597 0.000) 7.597 1.420 ( 0.000 4.091 0.000) 4.091 1.429 ( 0.000 2.632 0.000) 2.632 1.508 ( 0.000 3.459 0.000) 3.459 1.566 ( 0.000 -0.017 0.000) 0.017 1.643 ( 0.000 1.966 0.000) 1.966 1.645 ( 0.000 -3.934 0.000) 3.934 1.705 ( 0.000 -2.385 0.000) 2.385 1.756 ( 0.000 -1.603 0.000) 1.603 1.839 ( 0.000 3.471 0.000) 3.471 1.858 ( 0.000 0.349 0.000) 0.349 1.886 ( 0.000 1.016 0.000) 1.016 1.902 ( 0.000 4.717 0.000) 4.717 1.941 ( 0.000 -0.260 0.000) 0.260 1.964 ( 0.000 3.872 0.000) 3.872 1.996 ( 0.000 -3.406 0.000) 3.406 2.056 ( 0.000 2.820 0.000) 2.820 2.133 ( 0.000 -0.366 0.000) 0.366 2.155 ( 0.000 -1.035 0.000) 1.035 2.268 ( 0.000 0.534 0.000) 0.534 2.282 ( 0.000 -1.636 0.000) 1.636 2.399 ( 0.000 3.078 0.000) 3.078 2.407 ( 0.000 5.447 0.000) 5.447 2.455 ( 0.000 -1.317 0.000) 1.317 2.497 ( 0.000 -1.525 0.000) 1.525 2.519 ( 0.000 -3.468 0.000) 3.468 2.548 ( 0.000 3.643 0.000) 3.643 2.561 ( 0.000 -4.352 0.000) 4.352 2.615 ( 0.000 -2.214 0.000) 2.214 2.696 ( 0.000 5.001 0.000) 5.001 2.723 ( 0.000 1.485 0.000) 1.485 2.749 ( 0.000 -3.900 0.000) 3.900 2.811 ( 0.000 2.986 0.000) 2.986 2.845 ( 0.000 -5.491 0.000) 5.491 2.876 ( 0.000 -2.741 0.000) 2.741 2.895 ( 0.000 7.649 0.000) 7.649 3.019 ( 0.000 0.459 0.000) 0.459 3.038 ( 0.000 -0.151 0.000) 0.151 3.041 ( 0.000 -5.574 0.000) 5.574 3.180 ( 0.000 3.081 0.000) 3.081 3.253 ( 0.000 -3.630 0.000) 3.630 3.275 ( 0.000 2.682 0.000) 2.682 3.355 ( 0.000 -3.329 0.000) 3.329 3.400 ( 0.000 9.870 0.000) 9.870 3.614 ( 0.000 -7.254 0.000) 7.254 3.668 ( 0.000 7.785 0.000) 7.785 3.787 ( 0.000 -2.424 0.000) 2.424 3.798 ( 0.000 0.492 0.000) 0.492 3.829 ( 0.000 -3.346 0.000) 3.346 4.071 ( 0.000 -1.762 0.000) 1.762 4.094 ( 0.000 -2.477 0.000) 2.477 4.217 ( 0.000 0.937 0.000) 0.937 4.226 ( 0.000 2.714 0.000) 2.714 4.239 ( 0.000 4.581 0.000) 4.581 4.373 ( 0.000 -5.528 0.000) 5.528 4.417 ( 0.000 5.540 0.000) 5.540 4.542 ( 0.000 -4.146 0.000) 4.146 4.619 ( 0.000 0.087 0.000) 0.087 4.635 ( 0.000 -1.317 0.000) 1.317 4.835 ( 0.000 1.123 0.000) 1.123 4.884 ( 0.000 -3.153 0.000) 3.153 5.145 ( 0.000 -0.011 0.000) 0.011 5.175 ( 0.000 -1.967 0.000) 1.967 5.225 ( 0.000 1.796 0.000) 1.796 5.249 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 2.517 0.000) 2.517 5.377 ( 0.000 -1.631 0.000) 1.631 5.453 ( 0.000 -3.938 0.000) 3.938 5.455 ( 0.000 -5.008 0.000) 5.008 8.146 ( 0.000 1.708 0.000) 1.708 8.188 ( 0.000 -2.096 0.000) 2.096 8.317 ( 0.000 -0.033 0.000) 0.033 8.351 ( 0.000 -3.372 0.000) 3.372 8.788 ( 0.000 -2.077 0.000) 2.077 8.789 ( 0.000 -1.725 0.000) 1.725 8.931 ( 0.000 6.775 0.000) 6.775 9.114 ( 0.000 -9.913 0.000) 9.913 9.711 ( 0.000 0.381 0.000) 0.381 9.725 ( 0.000 -0.979 0.000) 0.979 10.066 ( 0.000 1.087 0.000) 1.087 10.094 ( 0.000 -1.692 0.000) 1.692 10.636 ( 0.000 5.641 0.000) 5.641 10.668 ( 0.000 6.747 0.000) 6.747 10.696 ( 0.000 0.786 0.000) 0.786 10.800 ( 0.000 -5.529 0.000) 5.529 10.869 ( 0.000 8.183 0.000) 8.183 11.049 ( 0.000 -7.808 0.000) 7.808 11.068 ( 0.000 4.002 0.000) 4.002 11.143 ( 0.000 -3.839 0.000) 3.839 18.399 ( 0.000 1.635 0.000) 1.635 18.426 ( 0.000 -0.826 0.000) 0.826 18.734 ( 0.000 3.680 0.000) 3.680 18.819 ( 0.000 -3.523 0.000) 3.523 18.843 ( 0.000 1.351 0.000) 1.351 18.872 ( 0.000 -1.410 0.000) 1.410 19.191 ( 0.000 3.184 0.000) 3.184 19.238 ( 0.000 -1.383 0.000) 1.383 19.521 ( 0.000 -0.907 0.000) 0.907 19.557 ( 0.000 -3.385 0.000) 3.385 19.859 ( 0.000 5.308 0.000) 5.308 19.960 ( 0.000 -3.846 0.000) 3.846 20.357 ( 0.000 1.025 0.000) 1.025 20.377 ( 0.000 -0.963 0.000) 0.963 20.457 ( 0.000 0.966 0.000) 0.966 20.473 ( 0.000 -0.593 0.000) 0.593 ======================= Grid point 16 (11/52) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 2.928 6.825 -1.187) 7.521 0.900 ( -0.903 -5.771 -2.285) 6.273 1.034 ( 1.338 10.774 -2.381) 11.115 1.234 ( -1.552 -7.415 -4.533) 8.829 1.403 ( -1.343 4.335 -2.484) 5.174 1.416 ( -0.775 3.359 -1.371) 3.710 1.516 ( 1.476 0.834 1.479) 2.249 1.560 ( 0.945 -2.980 0.350) 3.146 1.585 ( -3.218 2.622 -3.667) 5.539 1.648 ( 0.600 0.201 -2.162) 2.252 1.727 ( 2.137 1.916 -0.347) 2.891 1.765 ( -2.180 -2.020 0.721) 3.058 1.802 ( -0.900 1.074 0.758) 1.594 1.840 ( -3.222 -0.593 -1.875) 3.775 1.873 ( 0.425 0.742 -0.185) 0.875 1.900 ( -0.295 -0.054 0.075) 0.310 1.955 ( 1.668 6.562 4.566) 8.166 2.009 ( 2.986 1.876 3.454) 4.936 2.063 ( 1.252 2.810 -0.285) 3.089 2.094 ( 2.676 0.211 2.920) 3.966 2.159 ( -0.324 -3.007 1.549) 3.398 2.198 ( 1.883 -3.607 2.088) 4.574 2.239 ( -0.140 0.446 4.043) 4.070 2.265 ( -2.529 -0.682 2.570) 3.670 2.377 ( -3.793 2.697 -0.229) 4.660 2.425 ( 0.701 3.078 2.196) 3.846 2.455 ( -2.077 1.237 -3.873) 4.565 2.466 ( -4.230 -0.084 0.077) 4.232 2.504 ( 1.909 -0.621 0.200) 2.017 2.525 ( 3.152 0.229 -1.163) 3.368 2.573 ( -2.407 -2.578 -1.606) 3.875 2.618 ( 1.610 -4.863 -2.362) 5.640 2.644 ( -1.225 1.672 -2.955) 3.610 2.694 ( -2.551 -1.024 -2.143) 3.486 2.722 ( -0.431 0.648 -0.547) 0.952 2.769 ( -0.765 -4.328 -0.654) 4.444 2.853 ( -1.771 4.936 2.156) 5.670 2.898 ( 0.212 0.191 1.425) 1.454 2.957 ( 2.725 -0.908 3.716) 4.696 2.996 ( -2.052 -1.653 -0.494) 2.681 3.050 ( 0.907 0.745 -0.497) 1.274 3.057 ( 1.039 -0.765 0.647) 1.444 3.178 ( 1.320 2.560 -2.644) 3.910 3.211 ( -2.843 -0.341 -1.269) 3.132 3.290 ( 1.442 2.296 0.316) 2.729 3.372 ( 1.274 -2.831 0.666) 3.175 3.424 ( 2.493 9.600 1.581) 10.044 3.606 ( -1.142 -5.290 1.217) 5.547 3.655 ( -1.132 6.048 -0.154) 6.155 3.772 ( -0.598 -0.839 -2.126) 2.363 3.799 ( -2.189 -1.538 -0.951) 2.839 3.849 ( 3.181 -4.010 0.477) 5.141 4.082 ( 0.752 -1.234 0.821) 1.662 4.100 ( 0.901 -1.154 -2.171) 2.618 4.162 ( -3.052 4.700 -1.690) 5.853 4.241 ( 0.306 -1.525 1.399) 2.092 4.270 ( 1.164 2.232 2.315) 3.420 4.348 ( -1.850 -3.794 -0.339) 4.235 4.403 ( -1.181 2.997 -1.025) 3.381 4.504 ( -4.464 -3.964 2.057) 6.314 4.651 ( 2.082 -0.166 -0.964) 2.300 4.667 ( 4.463 -1.573 -1.526) 4.972 4.808 ( -0.954 3.287 -0.394) 3.445 4.898 ( 0.178 -4.993 0.422) 5.014 5.128 ( -1.828 0.620 0.558) 2.010 5.160 ( -1.470 -2.106 -0.057) 2.569 5.227 ( 0.393 1.619 -0.758) 1.830 5.258 ( 0.582 -0.095 -0.037) 0.591 5.335 ( 1.270 2.101 -1.027) 2.661 5.394 ( 1.338 -1.607 0.345) 2.119 5.456 ( 0.618 -3.649 0.258) 3.710 5.468 ( 0.751 -4.096 0.472) 4.190 8.114 ( -2.751 1.771 0.639) 3.333 8.162 ( -2.520 -2.893 0.444) 3.862 8.338 ( 2.555 1.043 -0.715) 2.851 8.386 ( 2.710 -3.669 -0.214) 4.566 8.784 ( 0.189 -0.838 -0.035) 0.860 8.800 ( 0.825 -2.434 -0.773) 2.684 8.944 ( 0.907 5.348 1.209) 5.557 9.093 ( -2.086 -8.263 -0.233) 8.526 9.715 ( 1.239 1.321 -1.249) 2.200 9.747 ( 2.187 -1.704 -1.400) 3.107 10.087 ( 0.903 1.972 3.600) 4.203 10.131 ( 2.021 -2.435 4.410) 5.428 10.581 ( -4.027 5.172 -5.398) 8.491 10.619 ( -3.537 2.489 -3.156) 5.354 10.676 ( -0.004 2.314 -1.241) 2.626 10.735 ( -3.662 -2.843 -3.400) 5.749 10.908 ( 2.109 8.674 2.439) 9.254 11.091 ( 1.670 -8.226 2.800) 8.849 11.114 ( 2.577 1.405 2.510) 3.862 11.148 ( 0.618 -1.867 1.004) 2.208 18.404 ( 0.330 1.711 0.401) 1.789 18.434 ( 0.579 -0.979 0.415) 1.211 18.736 ( 0.160 4.120 0.089) 4.124 18.828 ( -0.064 -2.699 2.369) 3.592 18.859 ( -0.018 1.017 1.925) 2.178 18.881 ( 1.315 -0.879 2.466) 2.930 19.202 ( 1.068 2.217 -0.216) 2.471 19.231 ( -0.779 -0.451 0.303) 0.949 19.395 ( -5.820 0.421 -10.905) 12.369 19.470 ( -5.387 -5.928 -8.363) 11.580 19.897 ( 1.471 6.316 5.356) 8.411 20.009 ( 1.996 -4.213 2.606) 5.341 20.345 ( -0.825 0.821 0.012) 1.164 20.364 ( -0.931 -0.997 -0.124) 1.370 20.495 ( 2.464 1.095 1.232) 2.965 20.518 ( 3.307 -1.022 2.021) 4.008 ======================= Grid point 17 (12/52) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -0.381 2.504 -1.146) 2.780 0.852 ( -1.468 -4.858 -2.410) 5.618 1.112 ( 5.630 4.354 0.230) 7.121 1.181 ( -0.706 -2.131 -1.281) 2.585 1.334 ( -1.647 3.816 -2.895) 5.065 1.384 ( -2.960 -1.303 -2.499) 4.087 1.501 ( -1.227 5.106 -1.155) 5.377 1.586 ( 3.409 4.499 3.941) 6.884 1.629 ( 0.911 4.065 0.786) 4.239 1.666 ( 4.070 -1.848 -0.433) 4.491 1.710 ( -1.002 0.948 -2.863) 3.178 1.736 ( -0.702 -4.452 -0.660) 4.555 1.784 ( -1.754 1.005 -0.294) 2.042 1.798 ( -1.527 -0.984 0.545) 1.896 1.869 ( 1.193 2.478 -0.624) 2.820 1.922 ( 2.500 -2.441 -1.522) 3.811 2.014 ( -3.282 2.282 1.731) 4.356 2.020 ( -2.114 3.253 2.121) 4.422 2.044 ( -3.399 1.817 -0.159) 3.857 2.107 ( 3.398 0.518 2.675) 4.355 2.182 ( -0.563 0.656 2.547) 2.690 2.217 ( -1.287 -1.834 2.567) 3.407 2.249 ( -2.105 -2.598 -0.057) 3.344 2.292 ( 1.944 -3.399 1.060) 4.057 2.317 ( 0.514 2.124 -1.697) 2.767 2.373 ( -5.203 -0.668 0.340) 5.257 2.406 ( -0.850 2.743 0.777) 2.975 2.469 ( 2.566 0.227 2.032) 3.280 2.526 ( 1.589 -0.323 -2.955) 3.371 2.549 ( -1.905 -2.190 -0.046) 2.903 2.577 ( 1.017 1.321 -3.118) 3.536 2.601 ( 1.927 -0.344 0.067) 1.959 2.626 ( 0.941 -0.532 -0.797) 1.343 2.705 ( 2.932 -4.276 -0.317) 5.195 2.714 ( -0.455 0.437 0.213) 0.666 2.754 ( -0.399 -3.564 -1.354) 3.833 2.829 ( -1.384 3.431 0.840) 3.794 2.881 ( -3.017 -1.058 0.615) 3.256 2.955 ( -1.247 0.810 0.644) 1.620 3.010 ( 0.098 -3.122 2.507) 4.005 3.063 ( 1.201 1.663 -0.019) 2.051 3.076 ( 0.223 -0.104 0.076) 0.257 3.159 ( -1.172 3.450 -1.206) 3.838 3.166 ( -0.323 1.713 -2.551) 3.090 3.357 ( 3.802 3.717 1.818) 5.620 3.408 ( 1.192 2.595 0.896) 2.993 3.494 ( 3.105 5.985 1.248) 6.857 3.581 ( -2.559 2.010 0.524) 3.296 3.626 ( -0.727 -0.857 -1.908) 2.214 3.729 ( -1.696 -4.927 -1.124) 5.330 3.768 ( -0.681 4.588 -0.341) 4.651 3.888 ( 0.892 -5.928 -0.016) 5.995 4.088 ( 0.021 -0.259 -1.180) 1.208 4.102 ( 0.287 1.502 0.453) 1.595 4.107 ( -1.607 1.532 -0.606) 2.301 4.251 ( -0.348 -3.350 1.453) 3.668 4.307 ( 1.016 -0.615 1.033) 1.574 4.323 ( -0.130 -1.474 -1.204) 1.908 4.376 ( -0.161 -0.543 -0.774) 0.959 4.429 ( -4.006 -2.834 0.887) 4.987 4.686 ( 1.885 0.776 -0.639) 2.136 4.719 ( 1.442 -1.052 -0.521) 1.860 4.814 ( 1.343 1.415 -0.152) 1.957 4.891 ( -0.984 -4.689 0.522) 4.819 5.106 ( -0.674 0.496 0.632) 1.049 5.127 ( -1.407 -1.537 -0.658) 2.185 5.228 ( 0.080 2.066 -0.130) 2.071 5.265 ( 0.238 0.405 -0.014) 0.470 5.355 ( 0.962 1.215 -0.362) 1.592 5.415 ( 0.548 -2.499 0.026) 2.559 5.473 ( 0.693 -2.683 0.206) 2.778 5.482 ( 0.345 -3.149 0.175) 3.172 8.078 ( -1.267 1.840 0.305) 2.255 8.128 ( -1.162 -3.163 0.239) 3.378 8.376 ( 1.451 1.240 -0.395) 1.949 8.424 ( 1.264 -3.635 -0.072) 3.849 8.790 ( 0.340 -0.352 -0.083) 0.497 8.805 ( 0.127 -1.932 -0.239) 1.951 8.982 ( 2.291 1.148 1.145) 2.806 9.040 ( -3.112 -4.057 -0.669) 5.156 9.729 ( 0.847 1.839 -0.747) 2.158 9.769 ( 0.999 -1.930 -0.776) 2.308 10.144 ( 1.682 3.382 3.363) 5.057 10.206 ( 1.862 -2.461 3.307) 4.523 10.459 ( -3.526 3.961 -3.756) 6.499 10.536 ( -2.210 -2.650 -3.361) 4.817 10.659 ( -1.030 2.595 -1.255) 3.061 10.677 ( -0.516 0.690 -0.311) 0.916 10.955 ( 1.149 8.231 1.244) 8.404 11.109 ( -0.313 -4.752 0.596) 4.800 11.167 ( 1.722 -0.647 0.190) 1.850 11.181 ( 0.563 -2.842 2.024) 3.535 18.412 ( 0.215 1.794 0.239) 1.823 18.446 ( 0.346 -1.218 0.242) 1.289 18.739 ( 0.070 4.553 0.033) 4.554 18.846 ( 0.114 -1.912 1.651) 2.529 18.866 ( -0.151 3.203 1.092) 3.387 18.959 ( 2.893 -2.300 4.927) 6.160 19.207 ( -1.798 4.185 -4.713) 6.555 19.219 ( -2.689 -0.946 -4.104) 4.997 19.221 ( -0.549 -0.547 0.398) 0.871 19.332 ( -2.497 -7.376 -4.805) 9.150 19.951 ( 0.790 5.144 2.293) 5.687 20.042 ( 0.418 -3.345 0.784) 3.461 20.335 ( -0.223 0.590 0.026) 0.631 20.350 ( -0.420 -0.835 -0.125) 0.943 20.538 ( 1.149 1.985 0.640) 2.382 20.582 ( 1.671 -2.135 1.182) 2.958 ======================= Grid point 35 (13/52) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.263 ( 1.692 0.000 14.086) 14.187 0.378 ( 0.478 0.000 18.932) 18.938 0.661 ( 2.166 0.000 32.388) 32.461 0.835 ( -3.203 0.000 -1.234) 3.432 1.121 ( -2.192 0.000 -2.850) 3.595 1.176 ( 0.593 0.000 7.079) 7.104 1.198 ( 1.158 0.000 9.749) 9.817 1.392 ( 6.804 0.000 -8.678) 11.027 1.424 ( 1.984 0.000 -7.176) 7.446 1.553 ( 2.405 0.000 -1.272) 2.720 1.607 ( -5.571 0.000 -2.802) 6.236 1.660 ( 10.272 0.000 1.787) 10.427 1.698 ( -5.275 0.000 2.839) 5.991 1.807 ( -0.218 0.000 1.343) 1.361 1.808 ( 2.008 0.000 4.914) 5.308 1.884 ( -1.160 0.000 -2.714) 2.951 1.900 ( -8.079 0.000 -2.382) 8.423 1.981 ( -3.185 0.000 -0.886) 3.306 2.033 ( -0.501 0.000 4.200) 4.230 2.067 ( 7.648 0.000 6.213) 9.854 2.095 ( -1.723 0.000 0.412) 1.772 2.160 ( 2.343 0.000 7.201) 7.573 2.187 ( -3.381 0.000 -3.901) 5.163 2.289 ( -0.548 0.000 0.755) 0.933 2.358 ( -0.282 0.000 -5.315) 5.322 2.377 ( 4.128 0.000 -1.360) 4.346 2.401 ( 2.195 0.000 -4.610) 5.105 2.480 ( -2.861 0.000 -2.084) 3.539 2.552 ( -0.108 0.000 -1.123) 1.128 2.606 ( 1.468 0.000 -4.080) 4.336 2.609 ( -0.963 0.000 -2.053) 2.268 2.652 ( 0.460 0.000 -1.035) 1.132 2.667 ( -5.588 0.000 1.317) 5.741 2.730 ( 1.232 0.000 1.696) 2.096 2.785 ( -2.877 0.000 0.129) 2.880 2.798 ( 4.427 0.000 4.608) 6.390 2.833 ( -0.170 0.000 -6.313) 6.315 2.892 ( 0.690 0.000 0.462) 0.830 2.923 ( 1.281 0.000 0.933) 1.585 2.981 ( -5.478 0.000 -1.608) 5.710 3.035 ( -6.997 0.000 0.431) 7.010 3.075 ( -3.255 0.000 -0.940) 3.388 3.122 ( 0.637 0.000 3.845) 3.897 3.253 ( 0.391 0.000 1.698) 1.743 3.285 ( 9.083 0.000 -3.235) 9.642 3.296 ( 2.153 0.000 -4.696) 5.166 3.301 ( -5.498 0.000 -2.396) 5.997 3.644 ( -1.219 0.000 -0.992) 1.571 3.673 ( 2.601 0.000 -2.736) 3.775 3.694 ( 5.676 0.000 1.050) 5.772 3.860 ( 9.329 0.000 2.205) 9.586 3.886 ( -4.594 0.000 1.009) 4.704 4.128 ( -0.956 0.000 -0.933) 1.336 4.136 ( 1.233 0.000 0.302) 1.269 4.194 ( -3.012 0.000 -2.280) 3.778 4.234 ( 0.624 0.000 -1.133) 1.294 4.395 ( 1.642 0.000 0.621) 1.756 4.419 ( -3.023 0.000 -0.120) 3.025 4.554 ( -0.828 0.000 12.141) 12.170 4.645 ( 1.214 0.000 2.241) 2.549 4.661 ( 4.457 0.000 2.092) 4.923 4.798 ( -2.639 0.000 -0.748) 2.743 4.869 ( 1.483 0.000 -0.875) 1.722 5.115 ( 0.888 0.000 1.092) 1.407 5.151 ( 1.882 0.000 -0.504) 1.949 5.173 ( 0.108 0.000 0.182) 0.211 5.193 ( -0.003 0.000 -0.058) 0.058 5.330 ( -2.387 0.000 -5.625) 6.111 5.370 ( -1.887 0.000 2.315) 2.987 5.466 ( 0.600 0.000 2.522) 2.593 5.595 ( 1.585 0.000 -3.030) 3.420 5.675 ( -10.175 0.000 -2.153) 10.400 8.114 ( -2.653 0.000 2.079) 3.371 8.272 ( -0.994 0.000 2.937) 3.100 8.282 ( 2.693 0.000 -1.822) 3.252 8.620 ( 1.325 0.000 -4.266) 4.467 8.931 ( 0.888 0.000 2.623) 2.770 9.090 ( -1.147 0.000 -1.454) 1.852 9.176 ( -2.613 0.000 2.098) 3.351 9.492 ( 0.009 0.000 -6.084) 6.084 9.879 ( -2.091 0.000 2.802) 3.496 9.918 ( -17.994 0.000 0.118) 17.994 9.929 ( 1.184 0.000 -1.585) 1.978 10.056 ( -2.659 0.000 -2.938) 3.963 10.175 ( 1.185 0.000 2.034) 2.354 10.282 ( -4.487 0.000 4.494) 6.350 10.342 ( 0.969 0.000 0.511) 1.096 10.560 ( 5.226 0.000 6.903) 8.658 10.768 ( -1.323 0.000 -2.728) 3.032 11.159 ( 0.612 0.000 -4.360) 4.402 11.261 ( 17.213 0.000 1.101) 17.248 11.358 ( -0.120 0.000 -1.193) 1.199 18.344 ( -0.138 0.000 2.084) 2.088 18.428 ( 0.786 0.000 -0.505) 0.934 18.566 ( -11.347 0.000 1.119) 11.402 18.741 ( 3.448 0.000 -0.687) 3.516 18.906 ( 0.110 0.000 1.289) 1.294 18.951 ( 2.392 0.000 -0.852) 2.539 18.993 ( -3.549 0.000 1.007) 3.689 19.248 ( 16.563 0.000 -3.025) 16.837 19.507 ( -3.033 0.000 4.649) 5.551 19.724 ( 5.945 0.000 -1.978) 6.265 19.930 ( -0.716 0.000 0.096) 0.722 20.019 ( -22.298 0.000 -1.526) 22.350 20.332 ( 0.044 0.000 0.485) 0.487 20.395 ( 0.613 0.000 -1.128) 1.284 20.472 ( 9.777 0.000 -0.135) 9.778 20.473 ( -1.089 0.000 -0.047) 1.090 ======================= Grid point 36 (14/52) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 3.137 0.000 10.216) 10.687 0.648 ( 12.795 0.000 16.188) 20.634 0.776 ( -2.510 0.000 1.147) 2.760 1.041 ( -0.704 0.000 -7.351) 7.384 1.140 ( 20.081 0.000 23.480) 30.896 1.238 ( 1.598 0.000 2.737) 3.170 1.312 ( 2.029 0.000 5.422) 5.789 1.411 ( -2.323 0.000 -3.590) 4.276 1.436 ( 5.081 0.000 -8.651) 10.033 1.466 ( -5.731 0.000 -1.683) 5.973 1.518 ( -3.446 0.000 1.655) 3.823 1.678 ( 1.237 0.000 2.469) 2.761 1.750 ( -7.550 0.000 -0.314) 7.557 1.757 ( -1.624 0.000 -1.982) 2.563 1.841 ( -7.022 0.000 0.646) 7.052 1.842 ( 2.913 0.000 1.761) 3.404 1.874 ( 0.125 0.000 -0.080) 0.148 1.903 ( 1.521 0.000 5.713) 5.912 2.050 ( -5.142 0.000 -3.389) 6.158 2.075 ( 1.612 0.000 -0.559) 1.707 2.097 ( 6.738 0.000 0.737) 6.779 2.205 ( 1.636 0.000 1.839) 2.461 2.260 ( 2.252 0.000 4.462) 4.998 2.311 ( -0.962 0.000 -2.102) 2.312 2.350 ( 4.985 0.000 2.296) 5.488 2.402 ( -0.435 0.000 -4.261) 4.283 2.459 ( 2.754 0.000 -1.907) 3.350 2.472 ( 4.394 0.000 -0.554) 4.428 2.499 ( -5.217 0.000 -3.914) 6.522 2.529 ( -7.867 0.000 1.364) 7.984 2.556 ( 0.019 0.000 -2.079) 2.079 2.602 ( -3.360 0.000 -1.759) 3.792 2.647 ( 0.742 0.000 -5.622) 5.671 2.754 ( 1.766 0.000 2.136) 2.772 2.758 ( -7.817 0.000 -4.405) 8.973 2.772 ( 1.004 0.000 -4.350) 4.464 2.798 ( -2.634 0.000 5.087) 5.728 2.886 ( -2.118 0.000 -5.245) 5.657 2.922 ( 4.329 0.000 5.434) 6.948 2.930 ( -2.455 0.000 -3.763) 4.493 3.004 ( 0.728 0.000 4.045) 4.110 3.010 ( -0.746 0.000 -2.063) 2.194 3.164 ( -0.757 0.000 5.936) 5.985 3.220 ( -0.787 0.000 -0.691) 1.047 3.245 ( -1.776 0.000 0.514) 1.849 3.304 ( 3.925 0.000 -0.807) 4.008 3.413 ( 1.788 0.000 2.532) 3.099 3.591 ( -1.192 0.000 -4.767) 4.913 3.677 ( -1.267 0.000 -3.504) 3.726 3.773 ( 1.792 0.000 -2.524) 3.096 3.810 ( -2.145 0.000 0.062) 2.146 4.047 ( 8.096 0.000 1.017) 8.160 4.114 ( 0.130 0.000 -0.225) 0.260 4.139 ( -0.335 0.000 -0.317) 0.461 4.172 ( 2.063 0.000 -3.863) 4.380 4.227 ( -0.556 0.000 -1.054) 1.192 4.378 ( -1.296 0.000 -0.334) 1.338 4.452 ( 3.126 0.000 0.027) 3.126 4.583 ( -4.595 0.000 6.713) 8.135 4.608 ( -2.780 0.000 2.522) 3.754 4.687 ( -4.292 0.000 1.114) 4.434 4.804 ( 5.157 0.000 5.140) 7.281 4.934 ( 3.147 0.000 0.437) 3.177 5.121 ( -9.012 0.000 -0.049) 9.012 5.141 ( -3.224 0.000 -1.081) 3.401 5.165 ( 0.454 0.000 0.479) 0.660 5.209 ( 0.933 0.000 -2.300) 2.482 5.222 ( 4.560 0.000 0.643) 4.605 5.355 ( -1.271 0.000 1.668) 2.097 5.476 ( -2.099 0.000 3.897) 4.426 5.582 ( 1.176 0.000 -3.426) 3.622 5.621 ( 1.832 0.000 -1.754) 2.536 8.066 ( -3.803 0.000 1.976) 4.285 8.320 ( 2.669 0.000 2.782) 3.855 8.334 ( 3.197 0.000 -1.075) 3.373 8.620 ( 2.779 0.000 -4.387) 5.194 8.973 ( 0.391 0.000 4.027) 4.046 9.082 ( 1.835 0.000 -2.556) 3.146 9.148 ( -1.899 0.000 2.341) 3.014 9.412 ( -3.223 0.000 -4.962) 5.917 9.714 ( -3.583 0.000 1.208) 3.781 9.909 ( -2.908 0.000 0.314) 2.925 9.956 ( 0.991 0.000 5.219) 5.312 10.011 ( -0.102 0.000 -1.281) 1.285 10.219 ( -0.242 0.000 4.624) 4.630 10.243 ( -2.009 0.000 2.722) 3.383 10.369 ( 3.496 0.000 -3.191) 4.733 10.696 ( -3.680 0.000 5.640) 6.735 10.762 ( 8.423 0.000 -0.362) 8.431 11.130 ( 0.627 0.000 -6.328) 6.359 11.311 ( -3.268 0.000 -2.527) 4.131 11.343 ( -1.676 0.000 -0.596) 1.779 18.351 ( -0.697 0.000 1.545) 1.695 18.439 ( 0.601 0.000 -0.449) 0.750 18.466 ( -2.953 0.000 3.752) 4.775 18.803 ( 2.184 0.000 -0.823) 2.334 18.928 ( 1.157 0.000 1.010) 1.536 18.950 ( 1.739 0.000 0.728) 1.885 19.001 ( 0.762 0.000 0.011) 0.762 19.192 ( -8.367 0.000 -2.490) 8.730 19.428 ( -7.515 0.000 2.713) 7.990 19.837 ( -2.744 0.000 2.869) 3.970 19.893 ( 8.933 0.000 -4.138) 9.845 19.949 ( 1.357 0.000 2.322) 2.690 20.330 ( -0.705 0.000 0.439) 0.831 20.393 ( 0.227 0.000 -1.350) 1.369 20.456 ( -0.217 0.000 -0.690) 0.723 20.587 ( 4.564 0.000 -3.309) 5.637 ======================= Grid point 37 (15/52) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -3.453 0.000 4.643) 5.786 0.787 ( 1.140 0.000 5.011) 5.139 0.933 ( -5.762 0.000 -1.539) 5.964 1.011 ( 9.624 0.000 11.011) 14.624 1.200 ( -4.135 0.000 -7.792) 8.821 1.212 ( -4.003 0.000 -3.299) 5.187 1.325 ( -0.212 0.000 -2.706) 2.715 1.406 ( -4.678 0.000 -0.458) 4.700 1.439 ( 3.099 0.000 -11.722) 12.125 1.555 ( 3.492 0.000 6.629) 7.493 1.562 ( -1.646 0.000 -2.534) 3.022 1.684 ( -7.697 0.000 2.444) 8.076 1.706 ( 3.237 0.000 6.919) 7.639 1.717 ( 1.112 0.000 -5.851) 5.955 1.762 ( 12.219 0.000 4.953) 13.185 1.849 ( -2.511 0.000 0.568) 2.575 1.959 ( 4.852 0.000 4.228) 6.436 2.003 ( 2.261 0.000 7.933) 8.249 2.009 ( -13.969 0.000 3.490) 14.398 2.036 ( -2.344 0.000 4.803) 5.344 2.137 ( 3.528 0.000 1.368) 3.784 2.227 ( 4.013 0.000 1.696) 4.356 2.292 ( 0.510 0.000 -1.723) 1.797 2.294 ( -4.003 0.000 0.303) 4.015 2.368 ( -4.425 0.000 -3.059) 5.380 2.370 ( -1.903 0.000 -1.976) 2.743 2.387 ( -2.070 0.000 -0.998) 2.298 2.420 ( 2.867 0.000 -1.738) 3.352 2.488 ( 1.216 0.000 -0.447) 1.295 2.498 ( -1.295 0.000 2.345) 2.679 2.570 ( 2.124 0.000 -5.716) 6.098 2.589 ( 5.660 0.000 0.549) 5.686 2.601 ( 0.379 0.000 -8.552) 8.561 2.704 ( 0.679 0.000 -3.459) 3.525 2.718 ( -0.808 0.000 -4.947) 5.012 2.780 ( 0.677 0.000 -2.221) 2.322 2.816 ( -3.287 0.000 2.102) 3.902 2.847 ( 2.131 0.000 -5.103) 5.530 2.886 ( 1.250 0.000 5.552) 5.691 2.976 ( -0.883 0.000 -2.173) 2.345 3.017 ( 0.590 0.000 4.010) 4.053 3.040 ( 0.728 0.000 3.147) 3.230 3.174 ( -1.320 0.000 0.291) 1.351 3.206 ( -1.121 0.000 2.695) 2.919 3.241 ( -0.629 0.000 4.335) 4.380 3.381 ( -1.691 0.000 2.320) 2.871 3.429 ( 4.196 0.000 -0.376) 4.213 3.467 ( -6.111 0.000 -6.844) 9.175 3.673 ( 2.929 0.000 -2.201) 3.664 3.750 ( -0.686 0.000 -3.607) 3.672 3.812 ( 1.014 0.000 1.479) 1.793 4.137 ( 0.708 0.000 -2.807) 2.895 4.138 ( 1.650 0.000 2.478) 2.977 4.158 ( 3.420 0.000 0.208) 3.426 4.178 ( 1.844 0.000 -2.725) 3.290 4.204 ( -1.098 0.000 -0.326) 1.146 4.359 ( -0.493 0.000 -0.759) 0.905 4.479 ( 0.022 0.000 -0.246) 0.247 4.529 ( -2.249 0.000 0.726) 2.364 4.589 ( -2.959 0.000 4.430) 5.327 4.663 ( -2.363 0.000 4.443) 5.032 4.835 ( -7.598 0.000 -1.290) 7.707 4.985 ( 1.676 0.000 0.971) 1.937 5.011 ( 3.238 0.000 0.756) 3.325 5.113 ( -0.982 0.000 0.790) 1.260 5.155 ( -0.928 0.000 0.140) 0.939 5.232 ( 1.698 0.000 0.465) 1.761 5.297 ( 1.948 0.000 0.076) 1.949 5.349 ( -0.468 0.000 1.244) 1.329 5.458 ( -2.937 0.000 4.328) 5.230 5.584 ( 1.921 0.000 -4.490) 4.883 5.651 ( 2.615 0.000 -1.134) 2.850 8.026 ( -2.134 0.000 3.000) 3.682 8.347 ( -0.071 0.000 -3.227) 3.227 8.377 ( 0.696 0.000 3.193) 3.268 8.657 ( 3.186 0.000 -3.392) 4.653 8.980 ( -2.997 0.000 4.032) 5.024 9.125 ( 4.618 0.000 -1.071) 4.740 9.153 ( 0.462 0.000 2.418) 2.461 9.338 ( -1.341 0.000 -2.155) 2.538 9.705 ( 1.863 0.000 -1.300) 2.272 9.860 ( -1.718 0.000 -0.064) 1.719 10.003 ( -0.232 0.000 6.463) 6.467 10.014 ( 0.482 0.000 0.400) 0.626 10.200 ( -2.658 0.000 3.635) 4.503 10.287 ( 0.712 0.000 6.456) 6.496 10.415 ( 3.950 0.000 -4.309) 5.845 10.622 ( -5.009 0.000 0.010) 5.009 10.904 ( 3.094 0.000 2.634) 4.063 11.082 ( 0.312 0.000 -9.756) 9.761 11.234 ( -1.175 0.000 -3.283) 3.487 11.292 ( -3.035 0.000 -0.016) 3.035 18.342 ( -0.861 0.000 0.409) 0.953 18.440 ( 0.118 0.000 -1.041) 1.048 18.476 ( -0.013 0.000 4.948) 4.948 18.797 ( -1.160 0.000 -0.694) 1.352 18.937 ( -1.799 0.000 -5.979) 6.244 18.949 ( 0.768 0.000 -1.677) 1.844 19.050 ( -5.590 0.000 -0.231) 5.594 19.097 ( 7.715 0.000 4.197) 8.782 19.313 ( -6.934 0.000 3.263) 7.663 19.800 ( -1.143 0.000 -3.249) 3.445 19.991 ( 0.045 0.000 4.421) 4.421 20.020 ( 5.602 0.000 2.017) 5.954 20.318 ( -0.557 0.000 0.099) 0.566 20.385 ( 0.289 0.000 -1.753) 1.777 20.459 ( 0.806 0.000 0.085) 0.810 20.619 ( 1.781 0.000 -2.624) 3.172 ======================= Grid point 38 (16/52) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( -8.669 0.000 3.040) 9.187 0.656 ( -18.031 0.000 -2.674) 18.228 0.861 ( 1.964 0.000 5.527) 5.865 1.110 ( -3.254 0.000 -2.537) 4.126 1.118 ( 0.790 0.000 -1.284) 1.507 1.209 ( -4.565 0.000 -1.540) 4.818 1.267 ( -6.834 0.000 4.117) 7.978 1.400 ( 7.995 0.000 0.051) 7.995 1.408 ( 3.893 0.000 -11.955) 12.573 1.433 ( -23.634 0.000 -0.793) 23.648 1.557 ( 5.459 0.000 0.092) 5.460 1.574 ( -5.993 0.000 5.690) 8.264 1.683 ( 4.346 0.000 2.477) 5.002 1.751 ( 5.745 0.000 -3.486) 6.720 1.800 ( -3.654 0.000 4.503) 5.799 1.824 ( -0.072 0.000 -0.498) 0.503 1.916 ( 0.108 0.000 0.631) 0.640 2.038 ( -5.581 0.000 6.803) 8.799 2.163 ( 3.140 0.000 6.380) 7.111 2.164 ( -6.324 0.000 -4.132) 7.554 2.194 ( -0.823 0.000 2.189) 2.339 2.206 ( 2.751 0.000 1.490) 3.129 2.209 ( -5.391 0.000 1.585) 5.619 2.281 ( 0.187 0.000 -5.610) 5.613 2.310 ( 3.765 0.000 1.410) 4.020 2.341 ( -0.947 0.000 -2.409) 2.589 2.424 ( 5.681 0.000 0.934) 5.758 2.442 ( 1.884 0.000 0.328) 1.912 2.502 ( 1.131 0.000 0.083) 1.134 2.537 ( 7.069 0.000 -2.149) 7.389 2.578 ( -1.824 0.000 -2.929) 3.451 2.608 ( 5.650 0.000 -1.234) 5.783 2.622 ( 2.607 0.000 -1.683) 3.103 2.690 ( -1.664 0.000 2.551) 3.046 2.696 ( -0.015 0.000 -1.490) 1.490 2.795 ( 5.503 0.000 -3.531) 6.538 2.860 ( 5.624 0.000 0.085) 5.624 2.868 ( 2.480 0.000 -1.161) 2.738 2.909 ( -2.538 0.000 2.865) 3.827 2.978 ( -5.253 0.000 0.457) 5.273 2.986 ( 3.720 0.000 -1.694) 4.087 3.065 ( -0.467 0.000 1.147) 1.238 3.168 ( 1.110 0.000 0.460) 1.202 3.228 ( 1.195 0.000 2.478) 2.752 3.253 ( -1.901 0.000 4.576) 4.955 3.260 ( -6.961 0.000 -9.171) 11.513 3.364 ( -1.225 0.000 2.127) 2.455 3.542 ( 5.701 0.000 -2.777) 6.341 3.693 ( 1.020 0.000 -2.273) 2.492 3.712 ( -0.565 0.000 -4.337) 4.374 3.866 ( 2.137 0.000 4.291) 4.794 4.088 ( -1.061 0.000 -10.352) 10.406 4.156 ( -1.651 0.000 -0.598) 1.756 4.178 ( -0.958 0.000 0.903) 1.316 4.200 ( 1.245 0.000 2.069) 2.415 4.251 ( 4.405 0.000 3.865) 5.860 4.368 ( 1.499 0.000 3.068) 3.415 4.445 ( -5.357 0.000 1.747) 5.634 4.517 ( -0.746 0.000 0.950) 1.208 4.530 ( -5.465 0.000 1.121) 5.578 4.656 ( -0.400 0.000 2.164) 2.200 4.691 ( -3.284 0.000 -2.644) 4.216 4.992 ( -1.733 0.000 0.784) 1.902 5.084 ( 1.123 0.000 1.409) 1.802 5.128 ( 2.281 0.000 0.936) 2.466 5.151 ( 0.496 0.000 0.053) 0.499 5.277 ( 2.311 0.000 1.668) 2.850 5.277 ( -3.245 0.000 -0.581) 3.296 5.373 ( 1.830 0.000 1.339) 2.268 5.429 ( -3.533 0.000 3.551) 5.009 5.585 ( 1.721 0.000 -4.156) 4.498 5.702 ( 3.535 0.000 -0.046) 3.535 8.041 ( 0.846 0.000 4.088) 4.174 8.307 ( -0.563 0.000 -4.459) 4.494 8.382 ( -3.139 0.000 3.875) 4.987 8.655 ( -0.168 0.000 -3.306) 3.310 8.943 ( -3.159 0.000 2.553) 4.061 9.182 ( 0.113 0.000 2.905) 2.907 9.182 ( -0.379 0.000 0.563) 0.679 9.368 ( 6.659 0.000 -1.689) 6.870 9.748 ( 3.509 0.000 -0.998) 3.648 9.860 ( 2.079 0.000 -0.814) 2.232 10.037 ( 1.408 0.000 1.747) 2.244 10.056 ( 1.299 0.000 5.734) 5.880 10.197 ( -1.618 0.000 6.920) 7.107 10.354 ( 0.223 0.000 10.989) 10.991 10.415 ( -1.095 0.000 -4.807) 4.930 10.539 ( -3.415 0.000 0.305) 3.429 10.885 ( -3.830 0.000 -1.308) 4.048 10.980 ( -2.017 0.000 -15.663) 15.792 11.240 ( -2.258 0.000 -1.127) 2.524 11.261 ( 4.680 0.000 -1.024) 4.791 18.332 ( -0.568 0.000 0.556) 0.795 18.430 ( -0.029 0.000 -1.452) 1.452 18.537 ( 1.919 0.000 8.206) 8.427 18.757 ( -1.854 0.000 -2.641) 3.227 18.878 ( 0.125 0.000 -2.772) 2.775 18.910 ( -1.568 0.000 -5.242) 5.471 18.988 ( -2.782 0.000 0.676) 2.863 19.186 ( -2.980 0.000 -3.368) 4.497 19.307 ( 4.670 0.000 9.728) 10.791 19.750 ( -0.815 0.000 -4.700) 4.770 20.002 ( -2.297 0.000 3.609) 4.278 20.131 ( 3.984 0.000 5.105) 6.476 20.315 ( 0.183 0.000 0.039) 0.187 20.380 ( 0.747 0.000 -2.147) 2.273 20.478 ( 0.514 0.000 1.160) 1.268 20.616 ( 0.297 0.000 -4.104) 4.115 ======================= Grid point 39 (17/52) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( -9.028 0.000 8.217) 12.208 0.347 ( -13.853 0.000 8.626) 16.319 0.824 ( -31.891 0.000 16.275) 35.804 0.892 ( -1.588 0.000 -0.246) 1.607 1.105 ( 0.759 0.000 7.034) 7.075 1.105 ( -4.333 0.000 12.143) 12.893 1.224 ( 0.029 0.000 -6.825) 6.825 1.298 ( 6.679 0.000 -7.992) 10.416 1.431 ( 5.927 0.000 -8.037) 9.986 1.491 ( 3.547 0.000 0.685) 3.612 1.528 ( -0.660 0.000 1.567) 1.700 1.743 ( -0.585 0.000 -5.051) 5.085 1.744 ( 4.926 0.000 -1.916) 5.285 1.762 ( -0.484 0.000 -2.696) 2.739 1.776 ( -0.403 0.000 7.785) 7.796 1.889 ( 4.466 0.000 1.143) 4.610 1.892 ( -0.839 0.000 6.057) 6.115 1.947 ( -4.140 0.000 8.799) 9.724 2.047 ( -3.415 0.000 -3.088) 4.604 2.088 ( -7.209 0.000 -4.124) 8.305 2.119 ( -2.756 0.000 1.389) 3.086 2.164 ( -4.741 0.000 4.873) 6.799 2.235 ( -0.612 0.000 -0.681) 0.916 2.303 ( 5.623 0.000 -4.894) 7.454 2.323 ( -2.184 0.000 0.770) 2.316 2.402 ( 2.180 0.000 -6.016) 6.399 2.462 ( 4.362 0.000 2.968) 5.276 2.465 ( -2.483 0.000 -6.454) 6.915 2.548 ( 5.464 0.000 0.019) 5.464 2.559 ( 2.537 0.000 2.705) 3.709 2.588 ( -2.542 0.000 -1.031) 2.743 2.657 ( 0.180 0.000 1.783) 1.792 2.672 ( 4.816 0.000 -3.843) 6.162 2.685 ( 0.643 0.000 0.271) 0.698 2.783 ( 0.119 0.000 1.227) 1.232 2.851 ( -3.677 0.000 1.348) 3.917 2.858 ( -0.060 0.000 0.921) 0.923 2.890 ( -0.029 0.000 1.254) 1.254 2.913 ( 1.642 0.000 -4.476) 4.767 2.976 ( 3.028 0.000 6.714) 7.366 3.062 ( -0.914 0.000 2.688) 2.839 3.091 ( 9.372 0.000 -8.198) 12.452 3.126 ( 0.699 0.000 -2.046) 2.162 3.179 ( -0.398 0.000 -2.766) 2.794 3.241 ( -1.630 0.000 1.516) 2.226 3.304 ( 4.278 0.000 3.345) 5.430 3.341 ( -0.871 0.000 -4.125) 4.216 3.606 ( 3.750 0.000 -1.561) 4.062 3.657 ( -1.210 0.000 -3.455) 3.661 3.687 ( 0.158 0.000 -2.281) 2.287 3.918 ( -0.575 0.000 3.762) 3.805 3.919 ( -8.743 0.000 -11.064) 14.101 4.125 ( -1.000 0.000 0.541) 1.137 4.155 ( -1.257 0.000 -0.650) 1.415 4.225 ( 0.754 0.000 -0.075) 0.757 4.304 ( -7.196 0.000 -1.201) 7.295 4.369 ( 2.775 0.000 2.227) 3.559 4.456 ( 1.568 0.000 9.974) 10.097 4.483 ( -3.363 0.000 1.040) 3.520 4.496 ( 2.303 0.000 3.758) 4.408 4.664 ( -1.207 0.000 3.046) 3.277 4.713 ( 5.580 0.000 0.473) 5.600 4.942 ( -3.900 0.000 -0.195) 3.905 5.105 ( 1.029 0.000 1.553) 1.862 5.147 ( -2.239 0.000 -0.024) 2.239 5.167 ( 1.007 0.000 0.349) 1.066 5.206 ( -2.438 0.000 -0.308) 2.457 5.328 ( 2.631 0.000 -0.851) 2.766 5.392 ( -2.844 0.000 2.977) 4.117 5.423 ( 2.279 0.000 1.450) 2.701 5.587 ( 1.751 0.000 -3.573) 3.979 5.773 ( 3.652 0.000 -1.936) 4.134 8.104 ( 1.686 0.000 4.172) 4.500 8.274 ( 0.440 0.000 -3.468) 3.496 8.324 ( -5.695 0.000 3.365) 6.615 8.630 ( 0.516 0.000 -3.578) 3.615 8.917 ( -1.178 0.000 1.760) 2.118 9.140 ( -3.190 0.000 -0.272) 3.202 9.194 ( -1.006 0.000 2.417) 2.618 9.477 ( 5.671 0.000 -3.856) 6.858 9.811 ( 3.486 0.000 0.788) 3.574 9.903 ( 3.151 0.000 -2.384) 3.951 10.086 ( 1.837 0.000 0.210) 1.849 10.119 ( 2.602 0.000 -0.256) 2.615 10.235 ( -1.630 0.000 5.637) 5.868 10.339 ( -3.002 0.000 0.400) 3.028 10.473 ( -2.457 0.000 1.424) 2.840 10.501 ( -1.093 0.000 0.777) 1.341 10.800 ( 0.976 0.000 2.812) 2.976 10.814 ( -2.148 0.000 -2.039) 2.962 11.195 ( -1.087 0.000 -2.514) 2.739 11.334 ( 3.300 0.000 -0.670) 3.367 18.332 ( -0.187 0.000 1.469) 1.480 18.423 ( 0.380 0.000 -1.147) 1.209 18.717 ( 9.068 0.000 11.211) 14.419 18.718 ( 0.225 0.000 -2.311) 2.322 18.823 ( -2.268 0.000 -2.785) 3.592 18.898 ( 2.766 0.000 -0.460) 2.804 18.933 ( -2.806 0.000 2.023) 3.459 19.084 ( -5.433 0.000 -0.917) 5.510 19.456 ( 3.641 0.000 6.566) 7.508 19.712 ( 0.560 0.000 -4.428) 4.463 19.967 ( -3.095 0.000 1.195) 3.318 20.256 ( 5.921 0.000 5.567) 8.127 20.324 ( 0.505 0.000 0.252) 0.564 20.376 ( 0.302 0.000 -3.665) 3.678 20.486 ( -0.624 0.000 1.004) 1.182 20.518 ( -8.012 0.000 -10.529) 13.231 ======================= Grid point 40 (18/52) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -1.546 10.674 13.381) 17.187 0.617 ( -0.558 11.856 16.605) 20.411 0.802 ( 2.212 19.640 12.375) 23.319 1.037 ( -2.506 9.854 1.152) 10.233 1.208 ( -0.293 6.434 7.517) 9.898 1.269 ( 0.224 9.794 -4.060) 10.605 1.312 ( -0.280 7.598 -0.078) 7.603 1.381 ( 4.591 2.502 -6.191) 8.103 1.432 ( 0.135 2.683 -0.946) 2.848 1.563 ( -1.400 0.998 -3.464) 3.867 1.623 ( -4.134 -1.427 1.203) 4.536 1.675 ( 3.300 1.888 2.137) 4.362 1.750 ( 4.270 2.771 -1.429) 5.287 1.781 ( -1.258 0.777 0.426) 1.539 1.823 ( 1.622 0.899 3.592) 4.042 1.870 ( -1.834 -1.160 -2.105) 3.023 1.916 ( -3.815 -0.513 0.128) 3.852 1.968 ( 1.836 -1.876 2.235) 3.447 2.019 ( -4.921 2.155 -0.561) 5.402 2.071 ( 0.551 0.340 -1.581) 1.709 2.126 ( -0.263 1.023 3.694) 3.842 2.166 ( 2.419 -1.442 1.907) 3.401 2.201 ( -0.131 0.899 4.943) 5.026 2.238 ( 0.984 2.039 -0.035) 2.264 2.341 ( 3.821 -2.398 -3.972) 6.011 2.399 ( 1.023 -0.575 0.586) 1.312 2.441 ( -0.933 1.170 -4.140) 4.402 2.487 ( 1.644 2.142 -1.704) 3.193 2.551 ( 1.062 -1.425 -4.723) 5.046 2.574 ( -1.640 -0.675 -2.252) 2.866 2.611 ( -1.570 -0.921 2.522) 3.110 2.643 ( -0.244 0.497 -1.695) 1.783 2.684 ( -0.545 2.003 -1.849) 2.780 2.749 ( -2.833 -0.233 2.891) 4.054 2.772 ( -2.834 -1.215 -1.111) 3.278 2.797 ( 2.727 -1.907 3.450) 4.793 2.837 ( -2.468 0.164 0.099) 2.476 2.882 ( 5.745 0.301 -4.598) 7.364 2.918 ( -2.937 -0.002 -0.489) 2.977 2.991 ( -0.659 1.550 0.150) 1.691 3.053 ( -2.915 -0.896 5.014) 5.868 3.073 ( -3.793 0.793 -2.805) 4.784 3.142 ( 1.420 2.392 1.341) 3.088 3.215 ( -0.417 -2.923 0.457) 2.988 3.263 ( -0.427 -1.661 -0.854) 1.916 3.313 ( 1.772 1.951 -3.733) 4.569 3.368 ( 2.626 5.004 -3.233) 6.511 3.579 ( 0.314 -6.866 -3.120) 7.548 3.680 ( -0.732 1.313 -1.609) 2.202 3.692 ( 4.164 -0.502 -0.875) 4.285 3.860 ( 4.591 -0.209 1.438) 4.815 3.886 ( -1.309 -0.212 0.753) 1.524 4.075 ( 0.973 -2.402 1.035) 2.791 4.145 ( 0.241 -0.642 -1.997) 2.112 4.183 ( -2.051 -2.427 -0.439) 3.208 4.207 ( -1.605 0.760 -2.352) 2.947 4.348 ( 1.451 -3.336 1.621) 3.983 4.400 ( -2.662 -2.252 0.149) 3.491 4.554 ( -0.584 -0.340 8.943) 8.969 4.637 ( 6.030 -1.208 2.143) 6.512 4.657 ( -0.962 -0.171 2.887) 3.048 4.776 ( -1.923 -4.906 4.450) 6.897 4.807 ( -4.000 0.434 -0.593) 4.067 4.973 ( 2.380 -3.093 2.664) 4.726 5.163 ( -1.396 0.351 0.133) 1.446 5.167 ( 0.422 -0.494 0.414) 0.770 5.221 ( -0.136 2.018 -0.329) 2.050 5.334 ( -0.065 -2.871 -0.528) 2.920 5.365 ( -1.859 -3.971 1.715) 4.708 5.509 ( 2.746 1.683 -5.369) 6.261 5.590 ( -0.796 -1.930 -1.925) 2.839 5.631 ( -2.898 -3.052 -2.478) 4.884 8.112 ( -0.777 0.215 1.629) 1.817 8.245 ( 0.260 -1.324 0.405) 1.408 8.314 ( 0.559 1.557 0.073) 1.656 8.563 ( 1.705 -5.128 -3.500) 6.439 8.864 ( 0.577 -3.717 0.357) 3.779 8.984 ( -0.950 -7.422 -0.553) 7.503 9.086 ( -2.106 -7.820 2.180) 8.387 9.416 ( -0.124 -6.290 -6.306) 8.908 9.802 ( -6.697 -3.411 4.159) 8.590 9.835 ( -2.609 -2.735 2.065) 4.307 9.992 ( 1.434 3.756 0.594) 4.065 10.192 ( 0.261 3.238 -0.345) 3.267 10.284 ( -0.383 8.271 1.177) 8.364 10.371 ( -4.195 8.183 -1.413) 9.303 10.485 ( -1.492 7.650 1.692) 7.975 10.595 ( 2.940 4.085 4.867) 7.001 10.719 ( -0.779 -1.029 -6.116) 6.251 11.109 ( 2.869 -4.121 -1.661) 5.289 11.213 ( 7.715 -1.976 4.784) 9.291 11.343 ( 0.148 -1.967 -0.640) 2.074 18.357 ( -0.294 1.231 2.204) 2.542 18.443 ( -0.478 0.451 0.307) 0.725 18.602 ( -1.010 1.336 -3.498) 3.878 18.807 ( -0.014 3.721 -0.992) 3.851 18.913 ( 1.171 -1.890 1.134) 2.496 18.922 ( -5.855 -0.290 1.941) 6.175 18.988 ( 3.376 2.535 -0.540) 4.256 19.253 ( 9.390 -0.134 -4.779) 10.537 19.478 ( -3.887 -2.184 1.987) 4.881 19.712 ( 0.515 -1.939 -3.217) 3.792 19.852 ( -4.929 -2.999 2.562) 6.312 20.043 ( -4.916 0.174 -0.493) 4.944 20.339 ( -0.066 0.391 0.704) 0.808 20.394 ( 1.015 -0.040 -0.804) 1.295 20.443 ( 3.117 0.037 2.146) 3.785 20.500 ( 1.572 0.180 0.388) 1.629 ======================= Grid point 41 (19/52) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 6.915 10.770 11.098) 16.940 0.763 ( 4.039 11.723 12.743) 17.780 0.933 ( -0.628 11.788 2.045) 11.981 1.128 ( 3.123 4.851 6.154) 8.436 1.205 ( 5.525 9.150 -0.970) 10.732 1.281 ( 0.856 -1.050 4.277) 4.487 1.322 ( 1.815 0.790 -4.630) 5.035 1.401 ( 0.271 0.961 -5.007) 5.106 1.450 ( 0.886 4.331 3.039) 5.364 1.512 ( -1.712 3.446 2.382) 4.526 1.544 ( -0.823 2.382 -1.209) 2.795 1.702 ( -4.356 -0.874 0.723) 4.501 1.720 ( -0.653 0.479 -1.605) 1.797 1.777 ( -5.933 -2.900 2.897) 7.212 1.797 ( -1.354 2.265 -1.199) 2.898 1.852 ( 0.018 4.175 0.837) 4.258 1.905 ( -0.576 -0.355 -2.018) 2.128 1.935 ( 1.983 2.451 2.014) 3.741 2.064 ( 1.230 0.174 0.923) 1.547 2.084 ( 1.512 -0.052 -0.662) 1.652 2.139 ( 3.267 3.675 1.351) 5.099 2.207 ( 2.073 0.578 2.120) 3.021 2.257 ( 0.205 0.238 0.432) 0.534 2.280 ( 1.651 0.602 1.254) 2.159 2.369 ( 0.199 0.884 2.299) 2.471 2.415 ( 3.269 -0.880 -0.510) 3.424 2.432 ( -2.312 -2.771 -6.138) 7.120 2.476 ( 0.465 1.969 -0.239) 2.038 2.538 ( -3.689 0.754 -1.500) 4.053 2.548 ( -3.310 2.179 2.020) 4.449 2.559 ( 0.721 0.142 -0.600) 0.949 2.602 ( 1.044 0.927 -4.886) 5.082 2.653 ( -2.001 -0.137 -2.953) 3.570 2.715 ( -3.767 -1.637 -0.088) 4.108 2.763 ( 0.344 -0.824 4.705) 4.789 2.770 ( 1.582 0.598 -4.685) 4.981 2.856 ( -0.690 -4.670 0.115) 4.722 2.872 ( -1.938 1.426 -2.832) 3.716 2.908 ( -0.217 3.191 -2.691) 4.179 2.955 ( -0.610 2.412 1.319) 2.816 2.999 ( -0.547 1.501 -2.144) 2.674 3.077 ( -0.289 2.862 5.455) 6.167 3.157 ( -1.886 0.079 1.403) 2.351 3.206 ( -1.221 -2.292 1.737) 3.124 3.220 ( -1.379 0.207 -0.375) 1.444 3.298 ( 3.723 -0.891 -1.004) 3.957 3.425 ( -0.776 0.677 2.086) 2.326 3.556 ( -0.087 -3.344 -5.118) 6.114 3.660 ( -0.557 -0.786 -2.852) 3.010 3.739 ( 1.884 -2.471 -1.965) 3.676 3.813 ( -2.657 0.044 -0.080) 2.659 4.002 ( 5.628 -3.136 0.045) 6.443 4.097 ( -0.151 -2.378 1.118) 2.632 4.140 ( 0.726 0.887 -1.086) 1.579 4.163 ( 0.669 -1.009 -2.683) 2.944 4.195 ( 2.118 -1.775 -2.246) 3.561 4.360 ( -0.562 -1.767 0.246) 1.871 4.411 ( 2.413 -3.404 1.254) 4.357 4.556 ( -3.969 -1.924 3.583) 5.683 4.627 ( -5.584 0.875 4.682) 7.339 4.693 ( -3.049 0.492 2.072) 3.719 4.785 ( 2.262 -1.870 4.849) 5.668 4.801 ( 4.633 -6.312 1.033) 7.898 5.070 ( 1.692 -2.281 0.799) 2.950 5.134 ( -1.547 0.175 0.635) 1.682 5.183 ( 0.677 0.170 0.194) 0.724 5.224 ( 0.659 1.074 -1.096) 1.670 5.300 ( -3.022 -1.416 -3.010) 4.494 5.340 ( -0.250 -0.973 1.195) 1.561 5.446 ( -3.000 -0.700 1.656) 3.498 5.582 ( 1.913 -0.515 -3.093) 3.673 5.619 ( 0.965 -1.113 -1.736) 2.277 8.076 ( -3.586 0.878 1.742) 4.082 8.290 ( 2.804 -2.442 0.391) 3.739 8.331 ( 1.146 -0.581 0.072) 1.287 8.582 ( 3.331 -3.591 -3.253) 5.880 8.893 ( 1.130 -5.175 2.396) 5.813 8.993 ( 1.902 -5.890 -0.199) 6.193 9.067 ( -0.928 -7.179 1.330) 7.360 9.329 ( -3.784 -6.479 -5.468) 9.284 9.699 ( -3.335 -0.560 1.508) 3.703 9.878 ( 0.839 -2.912 3.838) 4.890 10.013 ( -1.484 5.204 3.736) 6.576 10.131 ( -2.678 7.784 -2.820) 8.701 10.324 ( 1.795 7.897 2.944) 8.617 10.334 ( -0.333 7.084 1.284) 7.207 10.448 ( -1.039 5.003 -2.698) 5.779 10.657 ( -2.284 -1.574 2.403) 3.670 10.761 ( 7.255 0.213 1.922) 7.508 11.098 ( 1.255 -2.607 -6.621) 7.226 11.303 ( -2.210 -1.562 -0.682) 2.791 11.321 ( -0.413 -1.434 0.946) 1.767 18.364 ( -0.603 1.215 1.660) 2.144 18.441 ( -0.050 0.600 0.827) 1.023 18.552 ( -2.170 5.755 -0.320) 6.159 18.774 ( -2.167 -1.462 -0.358) 2.638 18.909 ( 2.961 -0.782 0.719) 3.145 18.975 ( 3.490 1.250 3.041) 4.795 19.008 ( -0.501 1.295 -1.536) 2.071 19.226 ( -5.080 1.585 -5.532) 7.676 19.400 ( -6.372 -2.467 1.834) 7.075 19.709 ( 4.289 -10.510 -1.260) 11.421 19.848 ( -1.859 1.247 4.987) 5.466 20.033 ( 2.520 2.598 -1.350) 3.863 20.334 ( -0.827 0.343 0.598) 1.077 20.390 ( -0.227 -0.330 -1.033) 1.108 20.460 ( 0.270 0.553 -0.506) 0.797 20.587 ( 4.637 -0.136 -1.146) 4.779 ======================= Grid point 42 (20/52) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -2.411 17.217 0.925) 17.410 0.929 ( -3.186 1.873 4.415) 5.758 0.970 ( 1.207 9.902 7.073) 12.228 1.068 ( 1.769 6.461 2.994) 7.338 1.228 ( -0.468 2.879 -5.662) 6.369 1.277 ( -0.549 3.580 -6.569) 7.502 1.306 ( -1.683 -1.114 1.782) 2.692 1.396 ( -0.581 2.781 -0.418) 2.871 1.482 ( -1.375 -0.163 -6.628) 6.771 1.568 ( 4.444 1.111 7.003) 8.368 1.590 ( -6.953 0.718 2.062) 7.288 1.646 ( 2.745 2.903 -1.475) 4.259 1.711 ( 6.497 -1.820 0.644) 6.778 1.769 ( 0.091 2.915 -2.909) 4.119 1.780 ( 0.402 3.288 3.086) 4.527 1.853 ( -1.384 0.154 -0.802) 1.607 1.909 ( 5.703 -2.297 5.088) 7.981 2.019 ( 4.666 2.017 6.171) 7.995 2.066 ( -15.250 3.660 0.079) 15.683 2.095 ( -1.517 3.207 4.525) 5.750 2.132 ( 2.572 0.004 1.785) 3.131 2.219 ( -1.076 -0.415 1.517) 1.905 2.246 ( -1.529 -0.672 -1.352) 2.149 2.282 ( 0.998 -0.597 -1.454) 1.862 2.332 ( -0.991 -1.029 1.177) 1.851 2.408 ( -1.053 1.805 0.286) 2.109 2.430 ( -0.060 1.859 -6.154) 6.429 2.471 ( 2.284 1.567 -3.231) 4.256 2.502 ( 0.373 1.633 3.935) 4.277 2.538 ( 0.236 0.552 -2.411) 2.485 2.562 ( 0.573 1.217 -1.247) 1.834 2.596 ( 0.916 -0.051 -2.034) 2.231 2.633 ( 2.715 2.493 -1.417) 3.949 2.658 ( -0.405 -2.164 -2.790) 3.555 2.747 ( -0.479 0.882 -2.725) 2.904 2.803 ( -2.790 2.340 -0.263) 3.650 2.831 ( 1.332 -0.544 -0.724) 1.611 2.854 ( 1.228 1.776 2.469) 3.280 2.901 ( 1.785 2.359 -3.352) 4.471 2.961 ( 0.593 -0.501 -4.649) 4.714 3.009 ( 2.285 -1.433 2.497) 3.676 3.078 ( -3.215 2.501 2.153) 4.607 3.124 ( -1.628 -3.883 1.744) 4.558 3.194 ( -2.064 -1.126 3.766) 4.440 3.223 ( 0.218 -0.567 2.184) 2.267 3.385 ( -2.516 -0.110 3.172) 4.050 3.421 ( 3.573 -0.561 -0.964) 3.743 3.441 ( -3.436 -2.135 -5.957) 7.201 3.669 ( 2.631 -0.158 -1.816) 3.201 3.734 ( -0.308 -1.492 -2.582) 2.998 3.797 ( 0.563 -1.039 0.746) 1.397 4.063 ( 1.796 -4.776 -2.303) 5.598 4.096 ( -0.124 -3.581 0.430) 3.609 4.147 ( 0.022 0.393 0.430) 0.583 4.174 ( 2.790 0.622 -1.726) 3.339 4.224 ( 2.066 -1.843 -1.369) 3.089 4.354 ( -0.995 -0.276 0.877) 1.355 4.446 ( 0.630 -2.541 0.696) 2.709 4.499 ( -2.877 -2.698 1.021) 4.074 4.569 ( -3.784 -1.327 4.250) 5.843 4.687 ( -2.011 1.739 3.456) 4.361 4.775 ( -3.073 -3.397 -1.580) 4.846 4.935 ( 6.324 -3.308 1.771) 7.353 5.023 ( -4.323 -0.763 -0.295) 4.400 5.126 ( -0.212 0.894 1.464) 1.728 5.185 ( -0.277 2.021 0.247) 2.055 5.212 ( 0.801 -2.198 0.013) 2.339 5.294 ( 0.789 -2.079 -0.052) 2.224 5.351 ( 0.200 0.335 1.245) 1.305 5.437 ( -0.736 -0.292 2.365) 2.494 5.587 ( 1.097 -0.558 -3.111) 3.346 5.628 ( 1.518 -2.194 -1.430) 3.026 8.035 ( -2.220 0.756 2.465) 3.402 8.302 ( -0.039 -4.017 -2.506) 4.735 8.366 ( 1.042 -0.776 1.837) 2.250 8.619 ( 2.373 -3.609 -3.425) 5.513 8.913 ( -2.076 -4.918 3.790) 6.546 9.031 ( 1.297 -6.636 2.148) 7.094 9.100 ( 4.377 -4.594 -0.750) 6.389 9.233 ( -2.308 -7.990 -2.503) 8.685 9.689 ( 0.918 -0.277 0.447) 1.058 9.902 ( -0.896 0.361 2.464) 2.647 9.990 ( -2.614 3.175 3.593) 5.461 10.112 ( 0.853 6.211 1.166) 6.377 10.330 ( -0.978 9.375 1.306) 9.516 10.388 ( 0.947 7.869 5.128) 9.440 10.428 ( 1.263 0.377 -3.235) 3.493 10.623 ( -1.961 0.936 0.609) 2.257 10.863 ( 0.916 -2.928 0.514) 3.111 11.083 ( 3.304 -0.613 -7.342) 8.074 11.234 ( -2.053 -0.139 -3.373) 3.951 11.293 ( -2.837 -0.145 -0.053) 2.841 18.359 ( -0.851 1.498 0.787) 1.894 18.450 ( 0.106 0.666 0.973) 1.184 18.534 ( -0.329 5.311 1.827) 5.626 18.741 ( -1.340 -3.512 -0.369) 3.777 18.933 ( -1.475 -0.622 -6.078) 6.286 18.961 ( 0.124 0.546 -2.252) 2.321 19.095 ( 1.277 2.147 2.986) 3.893 19.122 ( 2.189 3.397 0.333) 4.055 19.308 ( -4.894 -0.671 3.182) 5.876 19.783 ( 1.186 -5.575 0.286) 5.707 19.833 ( -0.532 -4.818 2.384) 5.402 20.080 ( 2.274 1.162 0.963) 2.729 20.323 ( -0.645 0.376 0.286) 0.800 20.380 ( 0.154 -0.561 -1.079) 1.226 20.468 ( 0.872 0.842 -0.403) 1.277 20.626 ( 1.212 0.214 -2.366) 2.667 ======================= Grid point 43 (21/52) ======================= q-point: (-0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -10.042 10.991 0.495) 14.896 0.757 ( -10.032 13.576 0.004) 16.880 1.044 ( 2.499 8.805 5.742) 10.805 1.146 ( 0.795 4.520 0.413) 4.608 1.178 ( -3.249 6.916 1.074) 7.717 1.239 ( -6.424 2.796 -1.397) 7.144 1.336 ( -8.369 0.858 -1.738) 8.590 1.369 ( 2.530 4.045 5.192) 7.052 1.412 ( 7.807 0.097 -3.674) 8.628 1.514 ( 0.475 7.024 -5.550) 8.965 1.617 ( -1.128 6.113 -2.076) 6.554 1.696 ( 0.570 3.823 2.987) 4.885 1.704 ( -7.879 5.143 0.098) 9.409 1.757 ( -0.208 -1.718 -2.013) 2.655 1.776 ( 3.070 1.471 -1.332) 3.655 1.834 ( 0.351 -3.664 1.657) 4.036 1.865 ( -1.751 1.254 5.815) 6.201 2.013 ( -2.479 -2.051 5.928) 6.745 2.133 ( 0.328 -2.057 2.438) 3.207 2.155 ( -2.973 -2.056 0.855) 3.714 2.165 ( -1.301 -0.243 -0.116) 1.329 2.210 ( 1.478 0.299 0.919) 1.766 2.221 ( -0.818 0.422 -1.267) 1.566 2.276 ( -0.390 -0.361 -3.088) 3.134 2.329 ( 1.730 1.948 -0.281) 2.621 2.349 ( -2.296 0.890 -0.897) 2.621 2.394 ( 0.955 -1.618 1.823) 2.618 2.489 ( 0.320 -1.277 -2.394) 2.732 2.539 ( 3.076 1.826 -1.653) 3.941 2.564 ( 5.056 2.088 -2.180) 5.889 2.580 ( 0.562 -0.268 -0.332) 0.706 2.629 ( 3.484 4.743 2.913) 6.567 2.647 ( 0.728 0.639 -0.408) 1.051 2.677 ( 2.487 2.339 -0.679) 3.481 2.730 ( 0.508 0.247 0.837) 1.010 2.796 ( 2.534 0.023 -1.038) 2.738 2.842 ( -1.720 -1.666 1.948) 3.087 2.888 ( 0.524 0.719 -2.401) 2.560 2.910 ( 2.556 2.481 0.151) 3.565 2.952 ( 0.572 -0.190 -3.933) 3.979 3.038 ( 1.526 0.141 -0.423) 1.590 3.056 ( 1.211 0.502 0.338) 1.354 3.130 ( 0.521 -4.011 0.293) 4.055 3.190 ( -1.037 -2.387 2.024) 3.297 3.235 ( -1.747 -0.644 1.505) 2.394 3.267 ( -3.777 1.023 -4.695) 6.112 3.370 ( -1.251 0.403 2.276) 2.628 3.546 ( 5.824 -1.134 -1.966) 6.251 3.685 ( 0.465 0.223 -1.452) 1.541 3.707 ( -0.480 -0.704 -3.582) 3.682 3.842 ( 2.451 -1.743 3.227) 4.411 4.022 ( -2.107 -5.287 -7.591) 9.488 4.090 ( -1.320 -2.823 0.804) 3.219 4.161 ( 0.502 -0.233 1.013) 1.155 4.224 ( 1.952 -0.364 0.182) 1.994 4.254 ( 1.931 -1.973 1.367) 3.081 4.344 ( -1.333 -0.860 2.499) 2.960 4.451 ( -1.198 -0.186 2.088) 2.415 4.466 ( -1.993 -2.859 0.468) 3.517 4.529 ( -3.155 -1.076 2.562) 4.204 4.655 ( -1.992 0.802 0.747) 2.273 4.707 ( -1.541 0.671 -1.375) 2.171 4.945 ( -5.084 -3.220 1.081) 6.114 5.033 ( 3.162 -2.992 0.259) 4.361 5.133 ( -0.196 0.286 1.361) 1.405 5.197 ( 0.087 1.322 0.714) 1.505 5.256 ( 1.682 -0.964 0.786) 2.091 5.297 ( 1.832 -1.774 -0.223) 2.560 5.363 ( -0.032 0.012 1.478) 1.479 5.427 ( -2.173 0.453 2.065) 3.032 5.583 ( 1.320 -0.624 -3.335) 3.640 5.655 ( 2.164 -3.966 -0.664) 4.567 8.039 ( 0.382 0.038 3.039) 3.063 8.280 ( 0.274 -2.895 -3.390) 4.466 8.371 ( -2.281 -0.522 2.273) 3.262 8.604 ( -0.667 -4.321 -3.628) 5.681 8.884 ( -3.034 -4.083 2.962) 5.886 9.065 ( -0.125 -7.902 2.501) 8.289 9.115 ( -2.110 -7.010 -0.302) 7.327 9.288 ( 8.310 -6.030 -1.372) 10.359 9.723 ( 1.708 -0.646 1.281) 2.230 9.906 ( 1.769 2.587 -0.718) 3.215 9.989 ( -2.306 -1.240 6.978) 7.453 10.152 ( 1.862 4.884 1.040) 5.330 10.316 ( -1.872 7.934 1.559) 8.299 10.407 ( -0.981 2.158 2.061) 3.141 10.451 ( 0.685 6.229 3.614) 7.234 10.609 ( -0.614 5.638 1.260) 5.810 10.823 ( -1.620 -3.319 -2.521) 4.472 11.040 ( -2.075 2.575 -11.682) 12.141 11.227 ( -1.211 -1.444 -0.643) 1.991 11.245 ( 2.616 -1.123 -1.795) 3.365 18.349 ( -0.764 1.568 0.901) 1.963 18.454 ( -0.163 1.017 0.243) 1.058 18.574 ( 2.717 3.817 3.530) 5.866 18.713 ( -0.821 -2.517 -0.998) 2.830 18.855 ( -1.930 -0.639 -3.102) 3.709 18.926 ( -1.028 0.291 -3.844) 3.989 19.088 ( 0.854 6.087 -0.145) 6.148 19.193 ( -0.618 0.314 -3.927) 3.987 19.339 ( 4.142 3.481 10.120) 11.476 19.728 ( -2.396 -1.461 -4.895) 5.642 19.887 ( -0.132 -9.022 7.241) 11.569 20.124 ( 1.746 -1.151 1.561) 2.610 20.318 ( -0.044 0.287 0.164) 0.333 20.379 ( 0.618 -0.219 -1.410) 1.555 20.481 ( 0.306 0.311 0.621) 0.759 20.596 ( -2.008 -1.474 -4.264) 4.938 ======================= Grid point 44 (22/52) ======================= q-point: (-0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -6.777 13.490 7.316) 16.775 0.621 ( -7.874 16.211 7.635) 19.573 0.924 ( -21.622 10.827 8.891) 25.764 1.081 ( -2.578 3.836 0.317) 4.633 1.165 ( 1.193 16.053 3.721) 16.522 1.208 ( 2.094 7.626 6.325) 10.127 1.303 ( 4.216 3.130 -5.969) 7.950 1.395 ( -0.229 9.774 -1.614) 9.909 1.465 ( -2.949 3.083 -0.665) 4.318 1.530 ( 8.736 4.672 -5.623) 11.391 1.610 ( -0.908 4.574 0.273) 4.671 1.663 ( -2.416 -4.486 -2.365) 5.617 1.724 ( 6.167 -1.375 2.270) 6.714 1.768 ( 1.917 0.344 0.198) 1.958 1.801 ( 0.174 0.803 1.783) 1.963 1.838 ( -0.928 -0.063 -2.923) 3.068 1.920 ( -2.830 0.832 4.090) 5.043 1.984 ( 2.783 2.666 8.172) 9.035 2.075 ( -5.623 -1.214 -1.529) 5.953 2.101 ( -1.553 0.281 -1.231) 2.001 2.117 ( -4.077 1.713 1.374) 4.631 2.167 ( -2.612 -0.981 0.224) 2.799 2.218 ( -0.056 1.092 1.104) 1.554 2.260 ( -4.710 -2.553 -0.404) 5.373 2.307 ( 3.704 -1.680 -6.108) 7.338 2.381 ( 5.561 -3.579 0.636) 6.643 2.411 ( -0.418 0.564 -2.206) 2.315 2.500 ( 0.260 1.164 -3.244) 3.456 2.584 ( -0.036 1.361 0.916) 1.640 2.592 ( 1.466 2.816 2.287) 3.913 2.604 ( 1.745 -3.313 -1.326) 3.973 2.640 ( -0.760 0.921 0.162) 1.205 2.708 ( 0.636 2.989 -2.294) 3.822 2.726 ( 3.065 2.952 1.344) 4.463 2.768 ( -4.935 -3.454 0.726) 6.068 2.792 ( 3.653 -0.148 2.247) 4.292 2.825 ( -0.110 -2.497 -1.705) 3.025 2.893 ( 1.074 0.212 -2.621) 2.840 2.950 ( -0.056 1.523 4.115) 4.388 2.971 ( 1.087 -0.017 2.348) 2.588 3.062 ( -0.121 -0.030 -1.491) 1.496 3.087 ( 2.664 -0.680 -1.913) 3.349 3.148 ( 1.504 -2.593 -3.199) 4.384 3.176 ( 3.976 1.531 -0.501) 4.290 3.240 ( 0.984 1.341 1.071) 1.978 3.247 ( 1.644 -1.227 -1.621) 2.615 3.378 ( 1.462 1.838 0.392) 2.381 3.606 ( 2.117 -5.076 -3.469) 6.502 3.657 ( -1.070 0.203 -3.487) 3.653 3.684 ( 1.403 2.583 -0.807) 3.048 3.881 ( -5.760 -2.176 -6.091) 8.661 3.901 ( 0.076 -1.351 2.346) 2.708 4.069 ( -1.235 -2.326 1.028) 2.827 4.161 ( -0.273 -0.532 -1.353) 1.479 4.224 ( -1.447 -0.675 -0.368) 1.639 4.274 ( -2.554 -3.206 -2.187) 4.646 4.321 ( -1.323 -1.998 4.457) 5.060 4.450 ( -2.160 -1.969 1.728) 3.395 4.481 ( 1.248 0.874 7.349) 7.505 4.518 ( 2.459 0.476 1.068) 2.722 4.661 ( -0.406 0.077 2.912) 2.941 4.718 ( 4.485 0.379 -0.124) 4.503 4.853 ( -5.872 -4.585 2.526) 7.866 5.033 ( -3.835 -2.644 0.096) 4.660 5.147 ( 0.846 -0.373 0.762) 1.198 5.190 ( -1.245 0.246 0.545) 1.381 5.236 ( -1.529 1.377 -0.116) 2.061 5.339 ( 0.311 -2.889 -0.616) 2.970 5.378 ( -1.317 -2.128 2.661) 3.653 5.441 ( 5.332 2.380 -1.707) 6.084 5.588 ( 1.705 -0.651 -2.931) 3.453 5.685 ( 0.908 -6.468 -1.237) 6.648 8.082 ( 1.454 -0.796 2.916) 3.355 8.264 ( -0.135 -1.505 -2.045) 2.543 8.327 ( -3.061 0.858 1.466) 3.501 8.569 ( 0.196 -5.077 -3.373) 6.099 8.863 ( -0.966 -3.388 1.243) 3.736 9.031 ( -3.396 -7.974 -0.084) 8.667 9.100 ( -0.949 -8.103 1.913) 8.379 9.405 ( 5.570 -6.050 -4.039) 9.162 9.766 ( 1.671 -1.938 2.484) 3.566 9.952 ( 2.665 3.078 -1.525) 4.347 9.981 ( -5.858 -5.187 6.504) 10.175 10.163 ( 0.346 0.263 -0.945) 1.041 10.293 ( -1.522 8.073 2.270) 8.523 10.421 ( 0.325 5.096 1.438) 5.305 10.487 ( -1.006 2.869 4.296) 5.263 10.585 ( -1.834 7.169 -1.136) 7.487 10.849 ( -4.133 3.422 -7.761) 9.435 10.900 ( 6.831 2.299 2.633) 7.674 11.178 ( -1.157 -1.233 -2.444) 2.972 11.313 ( 3.356 -2.251 -0.363) 4.057 18.348 ( -0.414 1.418 1.687) 2.242 18.450 ( -0.421 0.789 0.146) 0.907 18.629 ( 1.164 -1.327 -3.517) 3.935 18.786 ( 8.421 1.040 6.994) 10.996 18.819 ( -0.652 -0.270 -0.847) 1.103 18.900 ( 0.416 0.240 -0.730) 0.873 19.097 ( -5.872 3.382 -5.312) 8.610 19.121 ( 4.271 7.925 -1.775) 9.176 19.479 ( 2.190 3.223 6.055) 7.201 19.677 ( 1.106 -3.255 -2.259) 4.114 19.909 ( -1.745 -5.126 2.952) 6.167 20.160 ( -1.104 -6.604 1.677) 6.903 20.323 ( 0.414 0.244 0.550) 0.731 20.374 ( 0.139 0.240 -2.149) 2.167 20.454 ( -4.204 -0.733 -1.784) 4.625 20.513 ( -2.079 -0.440 -0.846) 2.287 ======================= Grid point 45 (23/52) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -4.597 9.578 13.213) 16.955 0.814 ( -0.877 9.923 11.440) 15.170 1.099 ( -2.925 -0.010 8.187) 8.694 1.217 ( -3.003 12.688 0.014) 13.039 1.288 ( 1.582 1.567 -4.930) 5.409 1.368 ( 1.199 3.019 -2.407) 4.043 1.461 ( 1.519 5.468 -3.264) 6.547 1.519 ( -1.208 2.644 -3.221) 4.338 1.562 ( -6.648 2.309 -1.636) 7.225 1.605 ( 0.270 0.687 -1.072) 1.301 1.660 ( -1.567 8.747 0.535) 8.903 1.697 ( 0.899 4.365 -0.137) 4.459 1.793 ( -1.153 -0.159 -0.288) 1.199 1.814 ( 5.129 2.614 1.599) 5.974 1.834 ( -4.088 2.664 -0.913) 4.964 1.857 ( 3.746 0.576 0.809) 3.875 1.906 ( 2.643 1.136 -0.573) 2.933 1.999 ( 1.091 0.781 4.203) 4.412 2.033 ( -4.634 0.930 -2.793) 5.490 2.079 ( 0.174 -0.753 3.844) 3.921 2.145 ( -0.300 2.802 -2.657) 3.873 2.162 ( 2.318 0.067 4.099) 4.709 2.274 ( 0.724 1.152 4.927) 5.112 2.275 ( 3.828 -2.768 -3.492) 5.874 2.309 ( 3.594 5.314 2.945) 7.059 2.369 ( 2.160 -0.726 0.936) 2.464 2.413 ( 1.398 -1.487 -4.684) 5.110 2.508 ( -3.576 -2.072 -3.136) 5.188 2.520 ( 1.332 -1.699 -3.795) 4.366 2.547 ( -2.105 0.035 0.211) 2.116 2.627 ( 3.882 -3.675 -0.130) 5.347 2.653 ( -2.056 1.126 -0.818) 2.483 2.689 ( -1.083 -0.615 -1.531) 1.974 2.736 ( -0.398 0.074 1.967) 2.008 2.738 ( -0.271 -1.471 0.905) 1.748 2.760 ( -1.793 1.066 1.456) 2.544 2.818 ( -6.733 -1.468 1.201) 6.995 2.906 ( -1.281 -1.067 -1.805) 2.457 2.945 ( 4.760 0.991 -4.173) 6.407 2.986 ( -0.096 3.836 -1.223) 4.027 3.047 ( 0.892 -3.757 3.676) 5.332 3.078 ( -0.362 0.204 0.578) 0.711 3.154 ( -0.954 -1.649 -0.117) 1.909 3.210 ( 1.579 1.825 -1.050) 2.631 3.243 ( 1.136 2.852 1.370) 3.362 3.362 ( -3.893 -0.181 -0.608) 3.944 3.418 ( 0.920 -5.535 -2.596) 6.182 3.507 ( 3.782 7.854 -1.175) 8.796 3.662 ( 1.574 -1.225 -1.669) 2.601 3.721 ( -2.488 1.882 -2.967) 4.306 3.839 ( 4.530 -2.038 1.119) 5.092 3.887 ( -2.868 0.196 0.301) 2.890 4.046 ( 0.704 -0.237 -0.894) 1.162 4.141 ( -0.205 -0.755 -1.110) 1.358 4.155 ( 0.291 0.288 -1.102) 1.176 4.201 ( 0.178 -0.846 -1.470) 1.706 4.292 ( -0.462 -1.513 2.182) 2.695 4.351 ( -2.681 -1.317 -0.589) 3.044 4.525 ( -0.927 -2.913 5.538) 6.326 4.590 ( 5.637 -3.115 0.263) 6.446 4.650 ( -2.232 -0.549 3.021) 3.796 4.708 ( -1.620 -2.179 3.559) 4.477 4.813 ( -3.334 0.120 -0.783) 3.427 4.931 ( 3.068 -1.813 0.376) 3.583 5.158 ( 0.627 -0.174 0.587) 0.876 5.182 ( -1.343 0.978 -0.104) 1.665 5.235 ( 0.451 -3.623 -0.866) 3.752 5.252 ( -1.421 -0.188 -0.136) 1.440 5.322 ( -1.653 -0.833 1.778) 2.567 5.455 ( -0.221 -4.483 -0.711) 4.544 5.530 ( 0.513 -3.333 -1.201) 3.580 5.553 ( 1.055 -4.894 -2.325) 5.520 8.124 ( 0.525 0.898 0.864) 1.353 8.219 ( 0.175 -1.320 -0.375) 1.383 8.327 ( -0.828 -0.531 -0.271) 1.021 8.438 ( 1.587 -5.931 -1.861) 6.415 8.798 ( 0.346 -2.462 -1.779) 3.057 8.867 ( 0.827 -3.555 -1.140) 3.823 8.922 ( -1.599 -5.488 3.459) 6.681 9.261 ( 0.170 -8.143 -5.271) 9.702 9.763 ( -4.067 -0.896 3.859) 5.677 9.787 ( -2.722 -1.738 2.514) 4.093 10.061 ( 2.047 2.704 2.845) 4.427 10.200 ( 2.916 -1.838 5.177) 6.220 10.456 ( -1.801 7.303 -1.546) 7.679 10.523 ( -0.899 6.615 -0.646) 6.707 10.606 ( -2.902 4.587 -0.542) 5.455 10.723 ( 1.037 6.693 1.058) 6.855 10.751 ( -2.151 2.274 -8.569) 9.123 11.043 ( 3.663 -1.391 0.187) 3.923 11.174 ( 3.764 -2.028 2.931) 5.184 11.264 ( 0.308 -5.576 0.800) 5.641 18.389 ( -0.533 1.683 2.316) 2.912 18.448 ( -0.300 0.065 1.465) 1.497 18.626 ( 1.379 1.621 -3.712) 4.279 18.844 ( 1.926 0.567 0.004) 2.008 18.867 ( 1.877 -2.038 0.465) 2.809 18.927 ( -1.173 -0.283 3.622) 3.818 19.082 ( -0.032 5.361 -2.634) 5.974 19.244 ( 1.789 -0.031 -2.935) 3.437 19.422 ( -4.961 -3.005 -5.111) 7.731 19.630 ( -6.208 -5.639 -5.253) 9.896 19.850 ( 1.870 2.529 6.333) 7.071 20.031 ( 0.865 -1.180 0.524) 1.554 20.349 ( -0.184 0.639 0.880) 1.103 20.391 ( 0.348 -0.359 -0.437) 0.664 20.455 ( 1.709 0.814 1.789) 2.605 20.495 ( 1.395 -0.419 1.071) 1.808 ======================= Grid point 46 (24/52) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 2.859 7.115 14.659) 16.543 0.925 ( 2.601 4.090 11.444) 12.428 1.077 ( -5.672 -1.707 7.952) 9.916 1.203 ( 2.847 0.929 0.407) 3.023 1.256 ( -1.016 0.048 -8.332) 8.394 1.350 ( -0.985 8.955 -2.304) 9.299 1.448 ( 0.599 6.855 -4.313) 8.121 1.478 ( 0.089 1.324 -3.445) 3.692 1.503 ( -0.201 4.189 2.869) 5.081 1.596 ( -1.424 3.721 1.678) 4.323 1.649 ( 1.648 5.062 -2.000) 5.687 1.663 ( -3.923 -0.766 -2.509) 4.719 1.734 ( -3.519 3.432 -0.823) 4.984 1.813 ( 1.437 1.436 4.454) 4.896 1.867 ( 0.977 4.527 1.351) 4.825 1.901 ( -0.397 0.402 -0.654) 0.865 1.917 ( -3.590 2.895 -2.609) 5.299 1.993 ( 4.324 2.160 0.294) 4.842 2.062 ( 0.895 -0.090 0.996) 1.342 2.103 ( 1.167 1.786 -2.642) 3.396 2.177 ( 6.426 1.246 5.678) 8.666 2.234 ( 0.382 0.282 0.838) 0.963 2.288 ( -0.014 1.292 -2.323) 2.658 2.321 ( -1.422 1.278 1.075) 2.193 2.357 ( -2.222 -1.419 -3.107) 4.075 2.399 ( 2.160 1.613 7.235) 7.721 2.437 ( 0.089 1.689 -1.568) 2.306 2.450 ( 2.980 -2.094 -1.486) 3.933 2.501 ( -0.771 -2.451 -0.024) 2.570 2.533 ( 0.830 -1.568 -3.052) 3.530 2.604 ( -3.770 -2.165 -1.331) 4.547 2.627 ( -2.929 -0.807 2.453) 3.905 2.661 ( -5.078 1.708 -1.195) 5.489 2.693 ( -0.019 -0.244 -3.167) 3.177 2.722 ( 3.146 -5.171 0.303) 6.061 2.776 ( 0.787 2.430 3.080) 4.001 2.794 ( 1.972 0.211 0.808) 2.142 2.867 ( -0.333 -3.888 -2.900) 4.862 2.926 ( -0.773 4.771 -6.993) 8.501 3.000 ( 0.188 1.670 0.900) 1.906 3.078 ( -0.766 0.312 0.748) 1.116 3.096 ( -0.060 -3.632 0.390) 3.654 3.125 ( -1.831 1.196 3.733) 4.326 3.191 ( -3.598 1.559 0.389) 3.941 3.286 ( 3.744 2.331 0.420) 4.430 3.302 ( -0.639 3.177 -1.171) 3.445 3.380 ( -1.396 -2.759 -1.276) 3.345 3.549 ( -1.360 3.929 -0.155) 4.161 3.663 ( 0.670 0.394 -4.641) 4.706 3.690 ( 1.185 -1.381 0.131) 1.824 3.817 ( -3.347 0.175 -0.510) 3.390 3.934 ( 3.984 -3.449 0.003) 5.270 4.056 ( 0.140 -0.908 0.251) 0.952 4.116 ( -0.062 -1.422 -1.068) 1.780 4.161 ( 0.240 -0.811 -1.674) 1.876 4.214 ( 1.822 3.918 -1.615) 4.613 4.306 ( 0.931 -3.233 -0.482) 3.399 4.338 ( 1.367 -2.592 2.073) 3.589 4.504 ( -4.265 -3.453 2.893) 6.204 4.632 ( -5.584 -0.485 4.902) 7.446 4.680 ( -0.024 -4.050 -0.303) 4.062 4.701 ( 2.917 -1.704 1.774) 3.815 4.763 ( 2.036 0.012 1.329) 2.432 5.007 ( 1.809 -4.088 0.354) 4.485 5.138 ( -2.044 0.142 0.889) 2.234 5.172 ( -0.551 -1.409 -1.031) 1.831 5.225 ( -0.082 -2.692 0.026) 2.693 5.239 ( -0.355 0.650 -1.153) 1.371 5.328 ( 0.834 -0.175 1.630) 1.839 5.433 ( -0.697 -0.861 0.697) 1.309 5.540 ( 1.095 -3.496 -1.478) 3.950 5.556 ( 1.016 -4.674 -2.163) 5.250 8.099 ( -3.161 1.182 1.122) 3.556 8.226 ( -0.308 -3.461 -0.941) 3.600 8.317 ( 1.415 -0.393 -0.227) 1.486 8.482 ( 3.448 -5.457 -1.315) 6.588 8.803 ( 1.366 -3.271 -0.918) 3.662 8.906 ( 2.267 -6.488 -0.141) 6.874 8.920 ( 0.133 -0.940 3.303) 3.437 9.188 ( -3.449 -6.530 -5.391) 9.144 9.704 ( -2.253 0.954 2.116) 3.235 9.820 ( 1.066 -2.479 3.742) 4.613 10.114 ( -0.087 4.186 5.443) 6.867 10.253 ( -1.218 2.650 1.361) 3.219 10.419 ( -1.568 1.456 -0.781) 2.278 10.479 ( 0.660 5.446 -1.644) 5.727 10.555 ( -1.556 5.906 -1.401) 6.266 10.669 ( -1.287 0.782 -3.298) 3.625 10.802 ( 3.301 4.816 3.252) 6.684 11.065 ( 2.038 0.212 -5.557) 5.923 11.241 ( -0.562 -4.020 1.358) 4.280 11.272 ( 0.765 -3.791 1.059) 4.009 18.396 ( -0.548 1.632 1.936) 2.590 18.458 ( 0.058 0.624 1.415) 1.547 18.629 ( 1.204 1.823 -2.229) 3.121 18.806 ( -5.014 4.158 -1.312) 6.644 18.888 ( 1.725 -1.614 -1.189) 2.645 18.982 ( 4.055 -0.100 5.660) 6.963 19.075 ( -0.552 4.693 -3.068) 5.633 19.225 ( -0.973 -1.232 -5.182) 5.414 19.334 ( -3.993 -3.597 1.449) 5.566 19.504 ( -0.687 -8.866 -2.525) 9.244 19.899 ( -1.443 3.450 4.586) 5.918 20.056 ( 1.793 -0.116 -1.169) 2.143 20.342 ( -0.938 0.381 0.680) 1.220 20.379 ( -0.898 -0.667 -0.480) 1.217 20.480 ( 1.035 1.291 -0.104) 1.658 20.576 ( 4.157 -0.967 0.535) 4.302 ======================= Grid point 47 (25/52) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -7.355 0.898 7.848) 10.793 1.023 ( 1.830 4.641 7.745) 9.213 1.114 ( 1.967 1.156 9.774) 10.037 1.167 ( -1.309 2.258 -1.463) 2.992 1.278 ( -4.032 3.090 0.193) 5.083 1.353 ( 4.896 6.980 3.125) 9.081 1.418 ( 1.987 7.815 -5.847) 9.960 1.427 ( -4.683 -1.440 -2.739) 5.613 1.512 ( 1.402 3.424 0.613) 3.750 1.621 ( 3.101 4.052 2.519) 5.691 1.652 ( 1.879 4.763 -1.151) 5.248 1.679 ( 2.055 -0.449 2.155) 3.012 1.704 ( 2.108 2.690 0.016) 3.418 1.822 ( -4.706 3.037 -1.680) 5.848 1.856 ( -1.489 1.151 -3.679) 4.132 1.869 ( 0.618 3.724 -1.645) 4.117 1.910 ( 3.445 -0.018 0.644) 3.505 2.058 ( 2.589 1.106 1.875) 3.383 2.076 ( -0.149 -0.942 1.984) 2.201 2.140 ( 0.518 -0.002 0.697) 0.868 2.180 ( -11.703 3.598 0.478) 12.253 2.220 ( -2.603 -1.531 0.360) 3.041 2.265 ( 2.296 0.288 0.416) 2.351 2.281 ( 0.432 0.663 0.384) 0.880 2.316 ( -0.936 1.476 -2.257) 2.854 2.406 ( -0.717 -3.180 -3.621) 4.872 2.433 ( -2.351 -0.374 2.029) 3.128 2.484 ( 1.425 -1.344 -2.332) 3.045 2.517 ( 1.784 -0.626 -1.544) 2.441 2.547 ( 0.008 -0.232 2.845) 2.855 2.561 ( -0.780 1.190 -0.544) 1.523 2.604 ( 2.651 0.082 0.593) 2.718 2.622 ( 1.967 -0.781 -2.078) 2.966 2.680 ( -0.524 1.787 0.029) 1.863 2.761 ( -1.525 -0.976 0.462) 1.868 2.818 ( 4.205 -4.201 1.311) 6.087 2.839 ( 0.026 0.337 -3.049) 3.068 2.857 ( 1.960 -1.233 1.477) 2.746 2.913 ( 3.547 3.024 -3.212) 5.661 2.989 ( -2.763 1.532 1.216) 3.385 3.014 ( -0.965 1.303 -4.836) 5.100 3.063 ( -2.236 -0.718 -2.202) 3.220 3.116 ( -4.151 2.728 1.426) 5.168 3.145 ( 0.068 -3.017 3.039) 4.283 3.293 ( 0.097 6.649 -0.295) 6.656 3.358 ( 0.439 -2.261 -0.843) 2.452 3.412 ( 4.814 1.439 1.240) 5.175 3.453 ( -5.082 4.201 -1.607) 6.787 3.673 ( 2.241 -0.269 -2.075) 3.066 3.699 ( -0.211 -0.708 0.357) 0.821 3.782 ( -0.173 -0.633 0.275) 0.711 3.983 ( 1.394 -3.177 -1.275) 3.697 4.041 ( -0.443 -1.118 -1.125) 1.647 4.136 ( 1.599 -3.278 0.642) 3.703 4.152 ( -0.132 -0.591 0.032) 0.607 4.221 ( 0.383 2.506 -1.252) 2.827 4.331 ( 1.244 -2.001 0.188) 2.364 4.390 ( 1.822 -2.769 2.368) 4.074 4.444 ( -3.302 -2.033 1.528) 4.169 4.543 ( -5.602 -1.985 3.305) 6.800 4.700 ( 1.545 -2.678 -0.861) 3.209 4.722 ( -1.721 0.419 0.839) 1.960 4.860 ( 5.199 -3.676 1.643) 6.576 4.984 ( -3.362 -2.993 -0.315) 4.512 5.120 ( -1.150 -1.354 0.765) 1.934 5.155 ( 0.863 -2.629 0.022) 2.768 5.230 ( -0.095 2.273 0.453) 2.320 5.231 ( -0.203 -2.178 0.475) 2.238 5.361 ( 0.916 0.354 1.642) 1.913 5.442 ( 0.177 -0.068 0.749) 0.773 5.543 ( 0.775 -3.471 -1.887) 4.026 5.556 ( 0.689 -4.543 -1.903) 4.973 8.055 ( -2.100 1.094 1.161) 2.637 8.202 ( -0.498 -4.877 -1.692) 5.186 8.356 ( 1.810 0.045 0.345) 1.843 8.520 ( 1.442 -5.220 -1.574) 5.639 8.823 ( 0.101 -3.324 1.210) 3.539 8.903 ( -1.393 -5.125 2.784) 5.996 9.014 ( 6.467 -3.041 -0.784) 7.189 9.079 ( -3.909 -5.801 -3.590) 7.862 9.708 ( 0.515 1.825 2.140) 2.860 9.865 ( 0.239 -2.534 4.821) 5.452 10.094 ( -4.516 4.963 0.076) 6.710 10.227 ( -0.834 3.691 0.679) 3.844 10.401 ( 0.310 -0.565 0.332) 0.724 10.520 ( -0.813 7.353 -0.888) 7.451 10.551 ( 4.371 4.507 4.007) 7.448 10.641 ( -0.339 0.714 -0.452) 0.911 10.845 ( -0.953 2.491 0.153) 2.671 11.071 ( 3.846 0.264 -5.485) 6.704 11.204 ( -2.238 -2.835 -2.347) 4.308 11.269 ( -1.565 -2.640 -0.982) 3.222 18.396 ( -0.861 1.781 1.493) 2.478 18.466 ( -0.296 0.562 1.238) 1.391 18.634 ( 1.108 2.098 -2.024) 3.119 18.726 ( -2.234 4.211 -1.005) 4.871 18.894 ( 0.793 -3.100 -4.868) 5.825 18.976 ( -3.306 0.779 -3.782) 5.083 19.150 ( 3.824 3.509 5.572) 7.615 19.185 ( 1.723 1.689 -0.551) 2.475 19.278 ( -2.060 -2.146 2.325) 3.775 19.565 ( 3.247 -10.663 7.159) 13.248 19.861 ( -3.683 3.596 -2.084) 5.553 20.076 ( 1.116 -1.260 -0.775) 1.853 20.332 ( -0.621 0.440 0.488) 0.904 20.365 ( -0.080 -0.765 -0.315) 0.831 20.493 ( 0.747 1.566 -0.898) 1.954 20.614 ( 0.460 -1.322 -2.055) 2.487 ======================= Grid point 48 (26/52) ======================= q-point: (-0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -6.137 8.882 7.029) 12.883 1.014 ( -11.216 5.368 5.985) 13.800 1.117 ( -5.039 1.015 8.835) 10.221 1.199 ( 3.296 4.073 2.136) 5.658 1.280 ( 0.623 5.495 -1.596) 5.756 1.346 ( 1.206 2.305 1.536) 3.021 1.421 ( 5.487 4.406 -2.719) 7.544 1.505 ( 3.283 6.308 4.491) 8.411 1.536 ( 1.753 9.888 -1.452) 10.147 1.649 ( 1.436 4.110 -3.774) 5.762 1.674 ( -1.466 -0.238 -2.094) 2.567 1.709 ( -2.542 2.800 -1.687) 4.141 1.744 ( 0.503 0.690 -3.074) 3.190 1.793 ( 4.159 -1.100 5.820) 7.238 1.828 ( 1.210 4.429 -1.424) 4.807 1.839 ( -2.823 2.840 3.110) 5.070 1.940 ( -8.191 5.945 0.463) 10.132 1.975 ( 2.531 -1.950 1.912) 3.723 2.092 ( -3.567 -3.535 -0.793) 5.085 2.104 ( 1.270 -1.103 1.581) 2.308 2.177 ( 3.382 -1.052 -1.308) 3.776 2.193 ( -2.679 -0.225 -0.733) 2.787 2.245 ( -3.068 -0.732 -3.267) 4.541 2.253 ( -0.215 0.559 -0.874) 1.059 2.321 ( -4.532 -1.940 -3.002) 5.772 2.351 ( 2.689 -0.032 2.406) 3.608 2.406 ( 0.428 0.992 0.792) 1.340 2.478 ( -1.127 0.335 -1.707) 2.073 2.549 ( 3.498 -1.724 0.481) 3.929 2.557 ( 1.642 -0.702 -4.983) 5.293 2.590 ( 0.488 0.037 3.328) 3.363 2.634 ( -0.373 -0.922 1.050) 1.446 2.666 ( 3.250 -0.059 -0.794) 3.346 2.694 ( 0.977 -0.069 1.913) 2.150 2.748 ( -0.031 -1.561 0.562) 1.659 2.805 ( 0.715 1.071 -3.969) 4.173 2.849 ( -3.820 -2.493 1.178) 4.711 2.909 ( 3.013 -5.114 0.390) 5.948 2.939 ( 1.579 6.099 -1.063) 6.389 2.962 ( 1.323 1.617 -0.036) 2.089 3.038 ( 2.107 -0.386 -2.282) 3.130 3.045 ( 3.966 2.574 -0.400) 4.745 3.055 ( -2.500 -1.155 -0.548) 2.808 3.161 ( 0.312 -0.912 -0.119) 0.971 3.277 ( -3.558 4.103 -2.881) 6.148 3.317 ( 0.696 3.726 1.087) 3.943 3.393 ( -1.035 1.818 1.144) 2.384 3.494 ( 2.646 -1.083 -3.079) 4.202 3.685 ( -0.698 -1.126 -0.713) 1.505 3.710 ( 1.666 1.683 0.165) 2.374 3.822 ( 3.203 -0.436 2.322) 3.979 3.950 ( -1.827 -0.865 -4.981) 5.376 4.042 ( -0.015 -2.325 0.774) 2.451 4.149 ( 0.241 -2.305 -0.656) 2.409 4.174 ( 0.335 -2.036 2.584) 3.306 4.220 ( 0.159 0.385 0.006) 0.417 4.334 ( -1.476 -1.197 1.398) 2.360 4.410 ( -0.608 -2.376 0.637) 2.534 4.444 ( 1.114 -0.138 2.178) 2.450 4.488 ( -2.341 -3.333 2.303) 4.679 4.679 ( -1.724 0.794 -0.287) 1.919 4.712 ( 0.028 0.563 -0.233) 0.610 4.877 ( -5.253 -3.268 1.352) 6.332 4.967 ( 2.490 -3.507 -0.454) 4.324 5.107 ( -0.214 -2.018 0.432) 2.075 5.203 ( 1.515 -3.406 0.580) 3.773 5.227 ( -0.312 0.082 0.774) 0.839 5.246 ( 2.472 -0.253 0.895) 2.641 5.373 ( -1.106 0.341 2.097) 2.395 5.431 ( -1.659 -0.201 0.259) 1.691 5.542 ( 0.648 -3.438 -2.086) 4.073 5.556 ( 0.769 -5.116 -1.727) 5.454 8.048 ( 0.452 0.801 1.084) 1.422 8.194 ( 1.220 -4.578 -1.870) 5.094 8.370 ( -0.931 0.334 0.790) 1.266 8.506 ( -1.176 -4.534 -2.213) 5.180 8.816 ( -1.659 -2.167 1.890) 3.319 8.911 ( -0.044 -6.074 1.990) 6.392 8.973 ( -3.835 -4.991 -2.106) 6.638 9.154 ( 7.586 -6.572 -1.531) 10.153 9.738 ( 0.004 1.775 3.498) 3.922 9.900 ( -0.750 -2.264 6.204) 6.647 10.017 ( -2.215 2.772 -1.558) 3.876 10.185 ( -3.020 -1.483 -2.919) 4.454 10.448 ( 2.352 5.387 4.093) 7.163 10.516 ( 0.163 6.806 0.571) 6.832 10.602 ( -0.979 6.628 1.781) 6.933 10.710 ( 5.443 1.835 4.625) 7.375 10.793 ( -1.877 2.257 -2.320) 3.742 11.064 ( -1.699 0.317 -9.193) 9.354 11.175 ( 2.046 -3.286 -0.496) 3.903 11.212 ( -2.443 -2.474 -2.718) 4.413 18.388 ( -1.067 1.896 1.533) 2.661 18.463 ( -1.019 -0.042 1.130) 1.522 18.638 ( 1.455 1.196 -3.695) 4.147 18.719 ( 1.972 3.479 0.274) 4.008 18.848 ( -1.515 -0.338 -3.085) 3.453 18.911 ( -0.732 -1.560 -3.756) 4.132 19.181 ( 1.013 3.046 1.421) 3.511 19.201 ( -1.124 0.758 -1.551) 2.060 19.412 ( 8.162 1.731 10.128) 13.122 19.682 ( 1.665 -8.613 10.334) 13.555 19.745 ( -4.937 3.067 -6.371) 8.624 20.079 ( 0.190 -3.118 -1.971) 3.694 20.327 ( -0.149 0.579 0.420) 0.731 20.370 ( 0.604 -0.619 -0.294) 0.914 20.493 ( -0.359 0.755 -0.489) 0.968 20.566 ( -2.951 -1.394 -3.895) 5.081 ======================= Grid point 49 (27/52) ======================= q-point: (-0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -3.249 14.874 6.873) 16.705 0.824 ( -14.342 6.551 12.309) 20.003 1.100 ( -3.458 1.489 6.430) 7.451 1.226 ( -0.055 9.805 -0.260) 9.809 1.302 ( 3.184 4.517 0.215) 5.531 1.364 ( -1.008 2.649 -2.769) 3.963 1.502 ( -1.691 8.029 -0.946) 8.260 1.541 ( 2.199 0.400 2.064) 3.043 1.576 ( -2.648 4.250 1.669) 5.278 1.618 ( 6.568 6.379 -2.544) 9.503 1.669 ( 0.808 5.364 -1.079) 5.530 1.688 ( -1.762 5.270 -1.136) 5.672 1.724 ( 3.132 0.860 -2.788) 4.280 1.790 ( 0.656 3.570 0.032) 3.630 1.808 ( -0.471 -0.876 -1.018) 1.423 1.875 ( -1.119 2.651 1.177) 3.109 1.950 ( -4.106 1.771 1.506) 4.718 2.002 ( 0.666 -1.340 2.055) 2.542 2.033 ( 0.348 -1.793 3.626) 4.060 2.085 ( -1.503 -1.968 0.480) 2.523 2.134 ( -2.281 -2.445 -1.524) 3.675 2.167 ( -1.287 2.099 -1.330) 2.798 2.221 ( 3.489 0.947 -2.397) 4.337 2.251 ( -1.288 0.478 0.595) 1.497 2.297 ( 1.781 0.400 -1.250) 2.213 2.345 ( -0.129 -1.088 0.027) 1.096 2.414 ( -2.186 1.391 -2.677) 3.725 2.502 ( 4.396 -1.535 -0.822) 4.728 2.537 ( 0.805 -1.879 -1.268) 2.406 2.590 ( -0.137 -1.650 0.345) 1.691 2.625 ( -1.691 -2.507 -1.781) 3.510 2.655 ( 2.477 -1.478 3.340) 4.413 2.672 ( -0.546 3.023 -0.511) 3.114 2.736 ( -0.183 -1.591 -0.632) 1.722 2.742 ( 2.276 -2.187 -0.124) 3.159 2.774 ( -4.369 -0.220 2.519) 5.048 2.846 ( 4.208 1.350 -0.242) 4.426 2.921 ( -3.804 -1.692 0.207) 4.169 2.965 ( 1.726 0.521 -3.048) 3.541 2.974 ( 0.681 1.260 1.825) 2.320 3.015 ( -1.256 -2.649 0.536) 2.980 3.086 ( 2.631 0.577 -1.942) 3.320 3.124 ( 4.480 1.462 -1.079) 4.834 3.188 ( 2.750 0.296 0.454) 2.803 3.207 ( -1.373 2.178 -0.960) 2.747 3.373 ( 3.472 3.196 0.496) 4.745 3.397 ( 0.364 -0.402 0.793) 0.961 3.487 ( 0.747 -0.752 -4.254) 4.384 3.661 ( -0.534 -0.119 -1.400) 1.503 3.738 ( 1.689 2.195 -0.462) 2.808 3.845 ( -3.027 -1.442 -3.569) 4.897 3.904 ( 0.471 1.563 1.353) 2.121 4.042 ( 0.084 -0.358 -0.324) 0.490 4.141 ( -0.214 -1.620 -0.751) 1.798 4.181 ( -0.728 -3.564 -0.346) 3.654 4.214 ( -0.739 0.321 -0.189) 0.828 4.304 ( -2.882 -0.986 2.846) 4.169 4.405 ( -2.265 -1.715 0.902) 2.981 4.474 ( 1.374 -2.066 4.612) 5.237 4.507 ( 2.855 -1.220 -0.218) 3.112 4.666 ( -0.994 0.194 1.610) 1.902 4.722 ( 0.688 -0.345 0.183) 0.791 4.796 ( -2.475 -0.849 1.865) 3.213 4.970 ( -2.395 -3.580 -0.540) 4.341 5.126 ( 1.797 -1.058 0.340) 2.112 5.204 ( -0.738 -0.262 0.119) 0.793 5.227 ( 0.052 -0.849 0.306) 0.904 5.285 ( -0.882 -1.949 0.208) 2.149 5.354 ( -2.885 -0.376 2.186) 3.639 5.426 ( 2.332 -2.445 -0.243) 3.388 5.538 ( 0.265 -4.112 -1.394) 4.350 5.555 ( 0.636 -5.447 -2.178) 5.900 8.083 ( 2.284 0.648 0.885) 2.534 8.215 ( 1.746 -3.096 -1.282) 3.779 8.342 ( -1.961 0.239 0.695) 2.095 8.461 ( -1.536 -4.573 -2.246) 5.321 8.805 ( -0.355 -1.906 0.129) 1.943 8.895 ( -2.532 -3.780 -0.911) 4.640 8.925 ( -0.851 -7.206 1.843) 7.487 9.251 ( 4.636 -8.420 -3.617) 10.270 9.753 ( -0.913 0.497 3.784) 3.924 9.893 ( -7.130 -3.520 6.295) 10.142 10.008 ( 2.420 2.136 -0.844) 3.337 10.133 ( 0.515 -2.358 0.228) 2.425 10.493 ( -0.859 9.384 1.013) 9.477 10.521 ( 0.512 5.227 -0.037) 5.252 10.606 ( -0.086 6.906 2.864) 7.477 10.732 ( -0.802 5.933 -1.201) 6.107 10.880 ( 2.118 -2.980 -0.174) 3.660 10.930 ( 0.154 3.842 -5.154) 6.431 11.148 ( -1.112 -1.765 -1.926) 2.839 11.234 ( 2.544 -5.219 0.326) 5.815 18.384 ( -0.770 1.833 2.068) 2.868 18.451 ( -1.057 -0.337 1.220) 1.649 18.632 ( 1.404 1.284 -4.553) 4.934 18.797 ( 5.161 -0.257 0.570) 5.199 18.822 ( 0.227 0.705 0.084) 0.746 18.893 ( 0.889 -0.971 -0.657) 1.472 19.146 ( -3.322 2.493 -1.412) 4.387 19.221 ( 2.357 1.828 -1.136) 3.192 19.576 ( -5.714 -0.671 -7.750) 9.652 19.626 ( 4.982 4.001 9.333) 11.311 19.783 ( 1.812 -5.703 4.465) 7.466 20.048 ( -1.856 -4.502 -1.935) 5.240 20.335 ( 0.514 0.779 0.845) 1.259 20.377 ( 0.775 -0.137 -0.678) 1.039 20.456 ( -2.496 0.556 -1.068) 2.771 20.502 ( -1.419 -0.560 -0.108) 1.529 ======================= Grid point 50 (28/52) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -5.426 6.784 14.150) 16.604 1.010 ( -4.920 0.888 5.639) 7.536 1.053 ( -4.525 3.845 3.899) 7.103 1.220 ( -4.406 -6.242 -4.575) 8.905 1.408 ( -1.307 5.050 -0.224) 5.222 1.460 ( -2.400 2.448 2.312) 4.135 1.494 ( 2.721 1.005 -0.736) 2.992 1.528 ( 0.535 0.680 -1.684) 1.893 1.582 ( -2.803 -0.130 -4.775) 5.539 1.635 ( -0.257 -4.625 -0.796) 4.700 1.704 ( -0.249 6.587 0.868) 6.648 1.797 ( -0.439 -0.994 -2.047) 2.317 1.814 ( -2.661 1.454 -3.400) 4.556 1.877 ( -3.812 0.672 0.515) 3.904 1.886 ( 2.309 1.987 3.314) 4.501 1.917 ( 2.077 2.111 2.471) 3.857 1.973 ( 3.443 3.161 1.506) 4.911 1.983 ( 0.146 4.706 1.479) 4.935 2.029 ( 0.989 -2.820 2.262) 3.748 2.099 ( 1.867 1.125 4.143) 4.681 2.123 ( 1.371 -1.758 -2.649) 3.462 2.186 ( 2.551 -3.889 2.976) 5.522 2.220 ( 5.371 -1.958 -3.544) 6.726 2.230 ( 4.788 -0.087 -3.080) 5.694 2.381 ( 1.463 2.281 -3.877) 4.731 2.392 ( -0.578 2.835 -1.948) 3.488 2.450 ( -0.137 -0.613 -1.136) 1.298 2.457 ( 1.823 -0.179 -1.667) 2.476 2.523 ( 1.316 3.918 0.624) 4.180 2.529 ( -2.833 -2.865 -1.675) 4.364 2.571 ( -1.472 -1.637 1.849) 2.874 2.620 ( -1.742 -2.137 0.414) 2.788 2.663 ( 0.566 -2.810 -2.795) 4.004 2.685 ( -3.367 -4.193 -2.867) 6.094 2.736 ( -0.131 1.357 -1.849) 2.297 2.772 ( -2.477 -0.027 -0.758) 2.590 2.868 ( 2.795 6.526 0.460) 7.114 2.903 ( -2.470 0.840 0.501) 2.657 2.939 ( 2.003 -2.668 3.637) 4.935 2.989 ( 4.003 -1.092 -0.910) 4.248 3.036 ( 1.053 -0.706 -0.271) 1.296 3.075 ( -1.517 -1.833 0.547) 2.441 3.127 ( -1.651 3.312 -1.634) 4.046 3.228 ( -0.745 -5.711 -2.397) 6.238 3.279 ( 0.351 4.415 0.702) 4.484 3.360 ( 0.666 -1.322 0.271) 1.506 3.435 ( -0.167 7.949 2.452) 8.320 3.594 ( 1.354 -4.225 -2.330) 5.011 3.685 ( 0.799 6.235 1.529) 6.469 3.768 ( -2.724 2.129 -0.271) 3.468 3.786 ( 2.792 -2.429 -0.830) 3.793 3.848 ( -2.993 -4.005 1.117) 5.123 4.052 ( 0.818 0.492 -1.439) 1.727 4.087 ( -0.368 -2.789 0.380) 2.839 4.194 ( -1.821 2.246 -1.467) 3.242 4.221 ( 0.744 0.585 -1.753) 1.992 4.300 ( 0.811 3.585 2.779) 4.608 4.389 ( -0.793 5.600 -2.108) 6.036 4.418 ( -1.038 -6.495 3.761) 7.577 4.519 ( 3.842 -4.519 -1.456) 6.107 4.642 ( -2.238 0.148 2.484) 3.347 4.666 ( -2.231 -1.963 2.774) 4.066 4.821 ( -0.992 0.986 -1.241) 1.870 4.871 ( 1.422 -3.630 -1.332) 4.120 5.149 ( 0.255 -0.052 0.404) 0.481 5.170 ( 1.102 -1.366 -0.263) 1.774 5.222 ( -1.377 1.398 -0.538) 2.035 5.245 ( -0.284 -0.635 -0.558) 0.891 5.336 ( -1.476 2.410 1.095) 3.031 5.391 ( 0.214 -1.682 1.218) 2.088 5.446 ( 0.384 -3.885 -0.620) 3.953 5.455 ( 0.671 -3.442 -0.281) 3.518 8.149 ( 0.908 1.515 0.370) 1.804 8.186 ( 0.554 -1.825 -0.219) 1.920 8.311 ( -0.898 -0.175 -0.512) 1.048 8.340 ( 0.192 -3.120 -0.995) 3.280 8.767 ( -0.110 -0.483 -1.256) 1.350 8.788 ( -0.246 -2.744 -0.288) 2.770 8.937 ( 1.125 5.196 0.693) 5.361 9.086 ( 0.887 -8.296 -2.528) 8.718 9.755 ( -3.111 0.030 3.428) 4.629 9.762 ( -2.764 -0.713 2.982) 4.128 10.108 ( 2.546 1.949 4.534) 5.553 10.151 ( 2.874 -2.307 5.696) 6.784 10.583 ( -2.765 4.846 -4.268) 7.025 10.646 ( -4.568 -0.114 -5.492) 7.144 10.651 ( 0.147 4.597 -2.157) 5.079 10.737 ( -2.537 -2.776 -5.254) 6.461 10.897 ( 2.338 8.765 2.609) 9.439 11.036 ( 4.427 -1.772 0.898) 4.853 11.130 ( 2.185 -2.191 2.304) 3.858 11.135 ( -0.032 -4.466 0.006) 4.466 18.421 ( -0.472 1.296 2.054) 2.474 18.442 ( -0.159 -0.667 1.737) 1.867 18.685 ( 1.881 4.007 -3.987) 5.957 18.783 ( 2.768 -4.821 -3.983) 6.839 18.879 ( 2.099 1.752 3.470) 4.418 18.912 ( 0.957 -1.210 3.924) 4.216 19.183 ( 0.014 4.112 -0.882) 4.206 19.247 ( 0.158 -1.244 1.008) 1.609 19.394 ( -7.499 2.015 -8.970) 11.864 19.497 ( -7.552 -6.492 -6.259) 11.762 19.924 ( 3.196 3.808 4.673) 6.823 19.993 ( 2.594 -2.573 2.114) 4.221 20.364 ( -0.405 0.739 0.555) 1.009 20.379 ( -0.221 -0.682 0.093) 0.723 20.472 ( 1.432 0.724 1.308) 2.070 20.485 ( 1.573 -0.565 1.129) 2.017 ======================= Grid point 51 (29/52) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -5.141 2.323 14.958) 15.987 0.983 ( -3.702 -2.369 9.757) 10.701 1.043 ( 1.851 4.045 3.369) 5.580 1.142 ( 1.480 -4.386 -2.948) 5.488 1.341 ( -3.244 5.560 -1.501) 6.609 1.436 ( -3.371 -1.896 1.214) 4.053 1.527 ( -2.561 3.723 -1.404) 4.732 1.538 ( 2.784 2.849 0.836) 4.070 1.553 ( 3.873 0.601 -0.724) 3.986 1.651 ( 3.105 0.478 1.429) 3.451 1.716 ( -0.837 5.940 -0.510) 6.020 1.728 ( -2.827 -0.572 -5.054) 5.819 1.760 ( -0.166 -0.509 -2.392) 2.451 1.813 ( -2.611 -2.008 -0.197) 3.300 1.878 ( -2.224 1.108 -0.612) 2.559 1.927 ( -1.827 -1.728 1.031) 2.717 2.024 ( 1.331 6.683 1.326) 6.942 2.046 ( 3.241 3.684 -0.303) 4.916 2.073 ( 1.915 1.468 1.652) 2.925 2.112 ( 0.149 -2.372 -0.390) 2.408 2.203 ( 3.789 0.677 -1.579) 4.160 2.242 ( -1.085 1.515 -2.160) 2.853 2.259 ( -0.202 -5.247 1.953) 5.602 2.298 ( 1.791 -4.016 -0.396) 4.415 2.330 ( 0.391 2.705 0.696) 2.821 2.405 ( 1.578 3.763 -2.157) 4.615 2.440 ( -2.751 -4.861 -2.004) 5.934 2.473 ( 1.297 0.598 -2.522) 2.898 2.498 ( 2.159 -0.052 -0.612) 2.245 2.528 ( -0.986 2.440 4.465) 5.182 2.543 ( -5.642 -2.837 0.529) 6.337 2.566 ( 0.005 -4.643 -1.586) 4.906 2.602 ( 0.438 0.318 -2.362) 2.424 2.657 ( -0.442 -2.791 -1.115) 3.038 2.710 ( -0.387 1.516 -0.574) 1.666 2.761 ( 0.038 -3.221 0.460) 3.254 2.851 ( -1.607 3.390 -1.143) 3.922 2.882 ( 0.642 2.086 -1.316) 2.549 2.995 ( -0.024 -0.819 0.919) 1.231 3.015 ( -2.402 1.477 -3.485) 4.483 3.048 ( 3.567 2.398 1.195) 4.461 3.083 ( -2.535 0.325 -0.544) 2.613 3.097 ( 0.922 -1.644 -0.545) 1.962 3.183 ( -0.993 -5.827 -1.039) 6.001 3.311 ( 2.715 5.858 1.678) 6.671 3.393 ( 2.149 -0.776 1.082) 2.528 3.448 ( 1.383 8.585 0.513) 8.711 3.598 ( 0.839 -4.946 -1.926) 5.374 3.666 ( -4.456 6.000 0.888) 7.527 3.745 ( 0.899 4.476 -0.352) 4.578 3.784 ( -3.678 -3.952 -0.306) 5.408 3.849 ( 3.043 -4.789 0.222) 5.679 4.066 ( 1.236 0.828 -0.270) 1.513 4.099 ( 0.694 -2.408 0.937) 2.676 4.143 ( -2.340 3.433 -1.427) 4.393 4.231 ( 1.297 -3.617 -1.486) 4.120 4.320 ( -0.113 1.978 1.557) 2.520 4.361 ( -0.565 7.187 -2.253) 7.553 4.404 ( -2.696 -4.753 3.784) 6.647 4.544 ( -3.270 -7.768 0.724) 8.459 4.638 ( 0.751 0.568 1.139) 1.477 4.665 ( 2.001 -1.815 1.512) 3.096 4.802 ( 0.410 3.434 -0.167) 3.463 4.899 ( 1.357 -5.587 -0.355) 5.761 5.137 ( -1.783 0.180 0.279) 1.814 5.151 ( -2.355 -0.695 -0.793) 2.580 5.217 ( 0.745 1.382 -0.218) 1.586 5.248 ( 1.243 -0.485 -0.666) 1.491 5.340 ( 0.666 2.072 1.487) 2.636 5.407 ( 0.559 -2.507 0.932) 2.732 5.456 ( 0.998 -2.763 -0.451) 2.972 5.466 ( 0.866 -2.923 -0.764) 3.143 8.124 ( -2.887 1.332 0.288) 3.192 8.162 ( -2.393 -2.421 -0.579) 3.453 8.325 ( 2.735 1.321 -0.426) 3.067 8.379 ( 3.261 -3.915 -0.428) 5.113 8.766 ( 1.023 -0.137 -0.896) 1.367 8.799 ( 1.065 -3.332 0.278) 3.509 8.959 ( 0.821 3.755 0.416) 3.866 9.060 ( -1.443 -5.653 -2.900) 6.515 9.734 ( -0.833 1.734 2.662) 3.284 9.773 ( 0.356 -2.048 3.219) 3.832 10.187 ( 1.060 2.969 6.550) 7.270 10.243 ( 1.297 -2.266 6.331) 6.848 10.474 ( -4.321 3.282 -5.602) 7.799 10.525 ( -2.473 -0.869 -5.312) 5.923 10.645 ( 0.192 2.508 -1.872) 3.135 10.671 ( -0.572 -0.344 -2.838) 2.916 10.952 ( 1.325 8.449 2.043) 8.793 11.101 ( 2.788 1.558 -2.222) 3.891 11.127 ( -0.746 -5.761 0.478) 5.828 11.183 ( 1.594 -4.097 0.858) 4.480 18.428 ( -0.425 1.441 1.813) 2.354 18.454 ( -0.076 -0.928 1.703) 1.941 18.688 ( 1.613 4.312 -3.974) 6.082 18.793 ( 2.007 -4.934 -5.147) 7.407 18.925 ( -2.007 4.060 3.125) 5.503 18.977 ( 2.954 -0.852 5.609) 6.396 19.187 ( -0.739 5.217 -2.588) 5.870 19.210 ( -2.781 0.746 -4.515) 5.355 19.260 ( -1.016 -2.871 2.247) 3.785 19.337 ( -3.391 -7.132 -3.648) 8.699 19.976 ( -0.246 3.458 2.110) 4.058 20.033 ( 0.934 -1.958 -0.010) 2.170 20.351 ( -1.044 0.518 0.471) 1.257 20.364 ( -1.111 -0.719 0.052) 1.324 20.512 ( 1.940 1.726 0.314) 2.615 20.548 ( 3.062 -1.635 0.657) 3.533 ======================= Grid point 52 (30/52) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -4.799 2.416 14.093) 15.083 1.001 ( -3.646 -3.870 15.607) 16.487 1.143 ( 3.853 3.426 3.022) 5.976 1.218 ( 1.258 -2.357 4.730) 5.432 1.322 ( 1.672 4.585 1.308) 5.053 1.386 ( 0.254 -1.356 3.483) 3.747 1.501 ( -0.071 5.490 0.734) 5.539 1.598 ( -2.346 7.489 -4.840) 9.220 1.608 ( 0.519 5.790 -2.406) 6.291 1.643 ( 5.666 -0.305 -1.416) 5.848 1.696 ( 0.541 0.797 0.851) 1.285 1.724 ( 1.623 -1.871 1.052) 2.691 1.739 ( 0.117 -0.460 -2.578) 2.622 1.796 ( -1.240 -5.307 0.443) 5.468 1.854 ( 1.058 0.943 -1.008) 1.739 1.892 ( 0.056 -1.127 -2.639) 2.870 2.026 ( -0.994 5.965 -1.216) 6.168 2.048 ( -4.282 2.459 -0.873) 5.014 2.069 ( -3.323 -1.521 1.804) 4.076 2.129 ( -0.437 0.738 -2.398) 2.547 2.153 ( 2.183 -0.179 -0.301) 2.211 2.240 ( -4.374 -3.172 -2.991) 6.176 2.259 ( -1.548 -1.081 1.845) 2.640 2.273 ( -0.990 -2.735 -0.250) 2.919 2.312 ( 0.752 -1.239 -0.904) 1.708 2.327 ( -3.210 -0.955 -1.971) 3.885 2.434 ( -2.375 1.162 -0.162) 2.649 2.480 ( 2.017 0.098 -2.505) 3.217 2.499 ( -0.862 0.786 0.258) 1.195 2.552 ( 1.900 0.953 1.808) 2.791 2.561 ( 4.132 -1.826 -1.050) 4.638 2.594 ( 3.516 -0.747 -2.213) 4.221 2.620 ( 1.563 0.332 0.324) 1.631 2.674 ( 3.721 -4.411 -1.839) 6.057 2.718 ( -0.465 0.986 2.129) 2.392 2.748 ( -2.876 -1.675 1.723) 3.747 2.818 ( -0.577 0.844 -1.887) 2.146 2.864 ( -1.905 -1.723 -2.155) 3.353 2.959 ( -0.902 1.612 -1.750) 2.544 2.983 ( -0.909 -1.007 -1.822) 2.271 3.047 ( 0.965 0.707 -1.856) 2.208 3.056 ( -1.097 -0.283 -1.032) 1.532 3.119 ( 3.716 2.491 -1.022) 4.589 3.189 ( -0.295 -1.044 2.151) 2.409 3.371 ( 0.659 5.295 -0.505) 5.359 3.412 ( -0.276 3.416 -0.865) 3.534 3.500 ( 2.793 4.458 -0.853) 5.329 3.558 ( -3.456 1.905 -3.023) 4.971 3.635 ( 1.522 0.819 2.877) 3.356 3.736 ( -0.820 -4.258 0.782) 4.406 3.757 ( 0.143 4.940 0.602) 4.979 3.885 ( 0.750 -6.143 0.270) 6.194 4.087 ( 0.294 2.983 0.227) 3.006 4.104 ( -0.381 2.439 0.241) 2.480 4.121 ( 0.466 -1.488 2.373) 2.840 4.232 ( -0.087 -3.818 -1.039) 3.958 4.320 ( -1.127 1.237 -0.245) 1.691 4.351 ( 1.274 -1.065 -0.300) 1.687 4.397 ( -1.138 -1.242 3.984) 4.326 4.457 ( -5.097 -4.782 1.294) 7.108 4.678 ( 2.325 1.325 0.239) 2.687 4.725 ( 1.681 -1.799 1.255) 2.763 4.820 ( 1.129 1.622 0.587) 2.062 4.901 ( -1.211 -4.666 0.234) 4.827 5.102 ( -1.583 -0.099 -0.877) 1.813 5.114 ( -0.209 -1.210 -0.524) 1.335 5.227 ( 0.257 1.681 0.107) 1.704 5.264 ( 0.479 -0.123 -0.108) 0.506 5.367 ( 0.671 1.031 1.397) 1.861 5.421 ( 0.160 -2.588 0.541) 2.649 5.469 ( 0.665 -2.157 -0.728) 2.371 5.473 ( 0.530 -2.353 -0.951) 2.593 8.079 ( -1.661 1.322 -0.151) 2.128 8.120 ( -1.125 -2.817 -1.009) 3.197 8.372 ( 1.948 1.538 0.160) 2.487 8.425 ( 1.507 -3.587 0.007) 3.891 8.785 ( 0.993 -0.123 0.174) 1.016 8.817 ( 0.026 -3.039 1.247) 3.285 8.980 ( 2.167 -0.295 -1.360) 2.575 8.999 ( -2.432 -2.150 -3.250) 4.593 9.756 ( 0.541 2.583 3.269) 4.201 9.811 ( 0.515 -2.614 4.207) 4.979 10.181 ( -4.918 3.435 -0.715) 6.041 10.239 ( -4.124 -1.862 -0.632) 4.568 10.439 ( 2.993 3.739 2.478) 5.393 10.523 ( 3.511 -3.790 2.546) 5.760 10.637 ( 1.032 3.326 -0.972) 3.615 10.671 ( 0.702 0.173 0.209) 0.752 10.961 ( -0.980 7.503 -0.755) 7.604 11.104 ( -0.097 -0.338 -1.178) 1.229 11.116 ( 0.399 -2.591 -4.464) 5.176 11.190 ( -0.573 -4.256 -1.302) 4.487 18.430 ( -0.749 1.519 1.466) 2.240 18.459 ( -0.592 -1.158 1.168) 1.748 18.685 ( 1.504 3.877 -4.464) 6.101 18.778 ( 1.232 -3.746 -6.802) 7.863 18.882 ( -2.549 4.900 -0.434) 5.540 18.969 ( -3.964 -2.208 -3.731) 5.874 19.200 ( 3.106 0.770 1.820) 3.681 19.233 ( 0.176 -1.721 2.022) 2.661 19.242 ( 1.875 4.845 5.876) 7.844 19.372 ( 2.973 -7.647 8.554) 11.852 19.950 ( -2.314 4.428 -2.388) 5.538 20.031 ( -0.383 -3.091 -1.942) 3.670 20.341 ( -0.448 0.415 0.444) 0.755 20.351 ( -0.273 -0.572 0.166) 0.656 20.532 ( 0.447 2.059 -1.284) 2.467 20.576 ( 0.242 -2.132 -1.707) 2.742 ======================= Grid point 53 (31/52) ======================= q-point: (-0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -3.891 5.028 15.987) 17.205 1.037 ( -4.765 -1.313 12.198) 13.161 1.159 ( -6.170 4.481 6.092) 9.761 1.250 ( 2.715 -1.929 5.038) 6.040 1.417 ( 3.377 7.259 2.994) 8.548 1.439 ( -2.231 5.479 1.675) 6.149 1.494 ( 1.769 2.122 -2.826) 3.952 1.548 ( 0.502 -2.998 1.822) 3.544 1.597 ( 0.231 2.074 0.320) 2.111 1.690 ( -0.762 3.716 0.372) 3.812 1.714 ( 2.357 -0.792 -2.895) 3.816 1.747 ( 0.685 0.323 -1.760) 1.916 1.758 ( 1.224 -3.835 -1.618) 4.338 1.793 ( 2.331 -3.724 3.681) 5.732 1.875 ( 2.151 3.944 0.379) 4.508 1.935 ( 0.685 2.384 -3.034) 3.919 1.949 ( -0.426 3.676 -3.073) 4.810 1.990 ( -2.403 -0.697 -1.799) 3.082 2.025 ( -1.173 0.468 -0.901) 1.552 2.101 ( -0.400 -2.217 0.681) 2.353 2.132 ( -0.839 -2.756 -2.445) 3.778 2.144 ( -4.247 -2.766 -3.369) 6.086 2.221 ( -0.648 0.537 -1.655) 1.856 2.270 ( -1.430 -3.127 -0.394) 3.461 2.326 ( 2.450 3.823 0.358) 4.555 2.365 ( 2.935 1.176 0.107) 3.163 2.403 ( -0.177 -0.144 0.458) 0.511 2.452 ( 1.593 -3.264 -1.201) 3.826 2.532 ( 0.729 3.313 -1.174) 3.589 2.557 ( -2.297 1.080 -3.580) 4.389 2.592 ( 0.156 -0.865 -1.319) 1.585 2.630 ( 1.892 -1.553 2.560) 3.542 2.657 ( 1.427 -1.929 -0.676) 2.493 2.689 ( -0.445 -1.113 -0.341) 1.246 2.714 ( -0.022 0.147 -0.525) 0.545 2.727 ( 2.788 -4.482 -1.475) 5.481 2.811 ( -0.969 -0.532 -0.836) 1.386 2.836 ( 1.695 -1.310 -1.870) 2.843 2.950 ( 0.560 -0.498 -1.858) 2.003 2.966 ( 0.769 -1.391 0.844) 1.799 3.053 ( 0.358 1.550 -0.243) 1.609 3.077 ( 1.486 0.414 0.844) 1.758 3.166 ( 1.634 3.139 -1.870) 4.003 3.201 ( 0.591 4.008 1.016) 4.176 3.325 ( -2.784 1.705 -0.827) 3.368 3.385 ( -1.245 0.195 -1.582) 2.022 3.447 ( -3.185 5.809 -3.317) 7.408 3.534 ( 1.445 0.255 -3.596) 3.883 3.692 ( -0.416 3.277 3.991) 5.180 3.757 ( 1.736 2.146 -0.460) 2.798 3.792 ( 2.512 -1.808 3.779) 4.884 3.880 ( -1.490 -6.730 0.140) 6.894 4.076 ( 0.094 5.178 -2.030) 5.563 4.136 ( 1.755 2.907 2.912) 4.473 4.141 ( -0.902 -1.965 1.675) 2.735 4.236 ( 0.426 -0.634 2.432) 2.549 4.292 ( -0.739 -1.787 -1.575) 2.494 4.344 ( -1.740 -5.993 -0.563) 6.266 4.414 ( -0.283 -0.076 2.998) 3.012 4.437 ( 1.740 -0.962 1.156) 2.300 4.699 ( -0.913 1.766 0.887) 2.177 4.734 ( -0.907 -0.037 0.717) 1.156 4.825 ( -1.902 -0.236 0.835) 2.090 4.883 ( 0.368 -4.253 -0.315) 4.281 5.089 ( 0.942 0.582 -0.755) 1.340 5.128 ( 1.780 -2.898 -0.551) 3.445 5.233 ( 0.433 1.190 0.504) 1.363 5.263 ( -0.302 0.010 -0.220) 0.374 5.377 ( -0.777 0.694 1.579) 1.891 5.418 ( -0.860 -1.556 0.316) 1.806 5.463 ( -0.634 -2.518 -0.790) 2.714 5.468 ( -0.242 -2.580 -0.995) 2.775 8.070 ( 0.924 1.376 -0.341) 1.693 8.113 ( 1.315 -2.925 -1.108) 3.393 8.384 ( -1.040 1.151 0.483) 1.624 8.426 ( -1.304 -2.944 -0.120) 3.222 8.794 ( -0.645 0.025 0.878) 1.090 8.820 ( -0.399 -2.657 1.151) 2.923 8.938 ( -1.364 1.670 -3.012) 3.704 9.022 ( 3.773 -5.678 -2.454) 7.245 9.787 ( -0.969 2.742 4.978) 5.765 9.846 ( -1.253 -2.779 6.203) 6.911 10.074 ( -3.350 2.675 -3.500) 5.534 10.132 ( -4.240 -2.901 -3.827) 6.406 10.560 ( 5.422 4.916 5.283) 9.026 10.616 ( 1.886 1.456 4.158) 4.793 10.672 ( 1.871 0.803 -0.946) 2.245 10.704 ( 3.304 -1.083 3.928) 5.246 10.913 ( -2.309 7.459 -3.067) 8.389 11.052 ( -1.894 -4.040 -6.990) 8.293 11.110 ( 0.911 -0.337 -1.432) 1.730 11.151 ( -1.826 -2.885 -2.228) 4.077 18.423 ( -1.027 1.481 1.416) 2.291 18.451 ( -1.052 -1.076 0.851) 1.728 18.680 ( 1.778 3.252 -4.758) 6.031 18.752 ( 1.672 -2.235 -6.171) 6.773 18.851 ( -0.582 1.687 -0.395) 1.828 18.884 ( -2.045 -1.061 -2.423) 3.344 19.220 ( -0.839 0.830 0.053) 1.181 19.225 ( 0.417 0.869 0.576) 1.123 19.430 ( 6.359 1.798 11.843) 13.562 19.518 ( 3.681 -6.392 12.177) 14.237 19.865 ( -3.109 6.697 -6.205) 9.645 19.992 ( -1.139 -5.223 -4.454) 6.958 20.340 ( 0.085 0.677 0.533) 0.865 20.355 ( 0.422 -0.721 0.349) 0.905 20.512 ( -1.166 1.115 -1.646) 2.305 20.538 ( -2.110 -1.291 -2.848) 3.772 ======================= Grid point 54 (32/52) ======================= q-point: (-0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -10.290 5.697 13.500) 17.905 1.034 ( -3.688 0.689 9.008) 9.758 1.121 ( -5.054 7.941 5.899) 11.109 1.285 ( -1.211 -3.574 1.252) 3.976 1.412 ( -0.459 3.365 0.203) 3.402 1.440 ( 2.642 5.801 -2.879) 6.994 1.517 ( -3.875 -2.699 2.839) 5.510 1.549 ( 0.979 -2.014 -0.634) 2.327 1.633 ( -1.356 3.046 -0.468) 3.367 1.694 ( -3.382 0.268 -3.511) 4.882 1.723 ( 2.896 0.832 -0.675) 3.087 1.741 ( 0.465 -0.796 2.003) 2.205 1.752 ( 5.366 2.494 0.099) 5.918 1.870 ( 0.550 0.534 1.158) 1.388 1.897 ( 0.656 6.113 -0.942) 6.220 1.922 ( -0.933 -0.478 3.586) 3.736 1.934 ( -0.220 -0.509 1.176) 1.300 1.968 ( 1.639 -2.297 2.147) 3.546 2.009 ( -3.847 2.745 -3.221) 5.719 2.055 ( 2.064 0.254 -0.672) 2.185 2.132 ( 0.623 -2.609 -2.644) 3.767 2.148 ( 4.933 -2.456 -3.400) 6.475 2.171 ( -0.720 -0.462 -3.458) 3.562 2.242 ( -2.635 -2.867 -0.803) 3.976 2.353 ( 1.641 3.938 -2.051) 4.734 2.380 ( 2.413 5.025 -0.897) 5.646 2.434 ( 0.840 -2.133 -3.073) 3.833 2.492 ( 3.021 -1.400 1.101) 3.507 2.512 ( -1.285 0.971 -0.969) 1.879 2.538 ( 0.245 0.772 0.847) 1.172 2.577 ( -0.306 0.072 -0.120) 0.336 2.626 ( -0.223 -6.302 -1.604) 6.507 2.687 ( -0.070 -1.807 -3.051) 3.547 2.706 ( 2.564 -2.465 -2.677) 4.451 2.735 ( 0.918 3.119 3.402) 4.705 2.784 ( 2.772 -1.046 -0.226) 2.972 2.813 ( 1.983 0.600 1.405) 2.503 2.850 ( 1.398 -2.563 0.448) 2.953 2.936 ( -1.010 0.804 -0.492) 1.382 2.988 ( 0.411 -1.825 -2.352) 3.005 3.045 ( -0.963 1.733 -0.160) 1.989 3.083 ( -1.160 -0.961 1.791) 2.340 3.165 ( -0.167 3.237 -2.105) 3.865 3.221 ( 1.893 0.677 -0.537) 2.081 3.286 ( -1.565 0.886 0.143) 1.804 3.363 ( -0.585 -3.144 -0.815) 3.300 3.410 ( 0.734 8.922 0.398) 8.960 3.558 ( 3.805 -1.588 -2.703) 4.930 3.681 ( -1.793 5.037 1.931) 5.685 3.777 ( 0.433 0.578 -1.176) 1.380 3.819 ( -2.090 -1.020 -1.260) 2.645 3.861 ( -0.984 -5.637 4.361) 7.195 4.060 ( -0.357 1.906 -1.445) 2.418 4.112 ( -1.916 -2.438 -0.492) 3.139 4.200 ( 2.837 6.450 0.064) 7.046 4.235 ( -1.304 1.571 -0.307) 2.065 4.274 ( -1.575 -1.543 2.958) 3.689 4.368 ( 3.290 -6.658 2.016) 7.695 4.416 ( -0.872 2.051 0.010) 2.228 4.476 ( 2.035 -2.277 -0.605) 3.114 4.673 ( -2.369 0.723 1.476) 2.884 4.699 ( -3.324 -1.552 1.527) 3.974 4.812 ( 0.829 2.185 -0.028) 2.337 4.885 ( -0.412 -4.356 -0.777) 4.444 5.119 ( 2.353 0.499 -0.169) 2.411 5.153 ( 1.225 -2.570 -0.675) 2.925 5.246 ( -0.349 0.185 0.886) 0.970 5.251 ( -0.437 0.034 -0.539) 0.695 5.365 ( -1.889 1.493 1.607) 2.894 5.393 ( -1.494 -0.392 0.278) 1.569 5.450 ( -0.013 -3.687 -0.460) 3.716 5.453 ( -0.440 -3.683 -0.855) 3.806 8.105 ( 2.817 1.488 -0.182) 3.191 8.149 ( 3.066 -2.800 -0.760) 4.221 8.347 ( -2.758 0.710 0.188) 2.854 8.384 ( -2.780 -2.798 -0.554) 3.983 8.781 ( -0.856 -0.230 -0.015) 0.886 8.810 ( -1.408 -3.242 0.080) 3.536 8.917 ( 0.760 4.996 -1.074) 5.167 9.068 ( 3.004 -8.601 -2.558) 9.463 9.780 ( -3.360 1.895 4.481) 5.913 9.828 ( -5.634 -2.711 5.313) 8.204 10.046 ( 1.768 1.677 -0.140) 2.441 10.084 ( 1.063 -2.105 0.351) 2.385 10.628 ( 0.243 4.805 -1.337) 4.993 10.665 ( 0.075 5.800 -0.688) 5.841 10.694 ( 1.321 1.192 2.581) 3.135 10.794 ( 0.956 -4.754 0.367) 4.863 10.862 ( -0.200 6.980 -1.106) 7.070 10.978 ( 1.106 -1.330 -5.336) 5.610 11.103 ( -0.712 -1.674 0.471) 1.880 11.129 ( 0.745 -3.391 -0.812) 3.566 18.418 ( -0.794 1.337 1.824) 2.396 18.440 ( -0.801 -0.763 1.173) 1.613 18.681 ( 1.970 3.291 -4.454) 5.878 18.757 ( 3.001 -3.458 -4.323) 6.297 18.845 ( 0.147 1.363 0.421) 1.435 18.871 ( 0.925 -1.024 1.048) 1.733 19.200 ( -1.100 2.512 -0.379) 2.769 19.236 ( 0.393 -0.491 0.584) 0.858 19.545 ( -2.325 0.717 0.602) 2.507 19.614 ( -2.563 -5.027 4.524) 7.232 19.818 ( 3.744 6.808 -0.051) 7.770 19.948 ( 0.524 -5.388 -2.091) 5.803 20.352 ( 0.692 0.832 0.697) 1.287 20.368 ( 0.807 -0.648 0.204) 1.055 20.471 ( -1.710 0.855 -0.815) 2.078 20.489 ( -1.461 -0.734 -0.531) 1.719 ======================= Grid point 70 (33/52) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -0.301 0.000 16.002) 16.004 0.738 ( 0.336 0.000 15.836) 15.840 0.892 ( -0.192 0.000 -13.075) 13.076 0.903 ( -4.832 0.000 7.134) 8.617 1.100 ( -1.010 0.000 -13.678) 13.715 1.125 ( 7.658 0.000 -10.350) 12.875 1.258 ( 3.871 0.000 24.669) 24.971 1.396 ( 1.322 0.000 5.616) 5.770 1.502 ( -1.519 0.000 -3.515) 3.829 1.602 ( -1.858 0.000 14.338) 14.458 1.627 ( -0.679 0.000 2.353) 2.449 1.677 ( 1.754 0.000 -13.775) 13.886 1.734 ( -1.199 0.000 4.544) 4.699 1.743 ( 2.757 0.000 2.206) 3.531 1.808 ( -3.498 0.000 -1.856) 3.960 1.880 ( -4.805 0.000 1.296) 4.977 1.880 ( 4.896 0.000 1.727) 5.191 1.930 ( 3.359 0.000 -4.406) 5.541 2.089 ( -3.403 0.000 -3.422) 4.826 2.111 ( -5.221 0.000 -0.066) 5.222 2.145 ( -7.126 0.000 5.098) 8.762 2.216 ( 0.769 0.000 4.393) 4.460 2.253 ( 4.657 0.000 -2.970) 5.523 2.263 ( 2.350 0.000 1.070) 2.582 2.304 ( 0.924 0.000 -0.347) 0.987 2.321 ( 4.176 0.000 -4.305) 5.998 2.405 ( 3.588 0.000 -6.778) 7.669 2.413 ( 1.655 0.000 0.497) 1.728 2.415 ( 0.645 0.000 -4.480) 4.526 2.497 ( -4.525 0.000 -3.796) 5.907 2.559 ( -0.883 0.000 0.447) 0.990 2.603 ( 0.347 0.000 -3.338) 3.356 2.684 ( 0.894 0.000 2.295) 2.463 2.725 ( -3.403 0.000 1.224) 3.617 2.827 ( -0.087 0.000 3.476) 3.477 2.869 ( -2.261 0.000 -0.439) 2.303 2.877 ( 4.497 0.000 1.989) 4.918 2.879 ( 0.635 0.000 3.165) 3.228 2.941 ( -4.901 0.000 -1.431) 5.106 2.957 ( -0.383 0.000 0.124) 0.402 2.991 ( -0.007 0.000 -1.924) 1.924 3.006 ( -3.267 0.000 -4.697) 5.721 3.228 ( 9.118 0.000 -1.301) 9.211 3.229 ( -1.181 0.000 0.687) 1.366 3.252 ( 4.297 0.000 -0.370) 4.313 3.255 ( -6.702 0.000 -0.842) 6.755 3.350 ( -1.196 0.000 9.510) 9.585 3.543 ( -0.030 0.000 -8.438) 8.438 3.665 ( -0.095 0.000 1.133) 1.137 3.691 ( 3.120 0.000 -1.072) 3.299 3.898 ( 8.334 0.000 1.094) 8.405 3.902 ( -6.771 0.000 0.445) 6.785 4.118 ( -0.403 0.000 0.011) 0.403 4.136 ( -1.203 0.000 -1.472) 1.901 4.162 ( -0.388 0.000 0.974) 1.049 4.198 ( 0.312 0.000 -2.098) 2.121 4.408 ( 1.476 0.000 0.544) 1.573 4.415 ( -2.229 0.000 -0.236) 2.242 4.697 ( -3.268 0.000 2.473) 4.098 4.719 ( 8.018 0.000 3.441) 8.726 4.723 ( 2.276 0.000 1.422) 2.684 4.776 ( -9.066 0.000 -1.906) 9.264 4.926 ( 2.200 0.000 9.391) 9.645 5.114 ( 2.128 0.000 -5.473) 5.872 5.142 ( 1.473 0.000 1.497) 2.101 5.176 ( -0.149 0.000 -0.306) 0.341 5.188 ( 0.476 0.000 -0.398) 0.621 5.196 ( -3.462 0.000 -4.986) 6.070 5.434 ( -2.935 0.000 4.023) 4.980 5.519 ( 2.727 0.000 -4.331) 5.118 5.533 ( 1.547 0.000 4.010) 4.298 5.614 ( -3.669 0.000 -3.856) 5.323 8.168 ( -4.372 0.000 3.216) 5.427 8.232 ( 4.373 0.000 -3.059) 5.337 8.365 ( -1.564 0.000 6.277) 6.469 8.503 ( 1.718 0.000 -7.073) 7.279 8.992 ( 1.602 0.000 3.180) 3.561 9.049 ( -1.739 0.000 -2.538) 3.077 9.242 ( -2.376 0.000 4.571) 5.152 9.356 ( 1.095 0.000 -6.813) 6.901 9.905 ( -10.765 0.000 -0.015) 10.765 9.907 ( 4.831 0.000 -0.476) 4.854 9.953 ( 3.694 0.000 2.930) 4.715 10.006 ( -2.594 0.000 -2.410) 3.541 10.235 ( 1.994 0.000 3.724) 4.225 10.307 ( -1.406 0.000 -3.184) 3.481 10.409 ( -6.098 0.000 7.958) 10.026 10.568 ( 6.492 0.000 -6.802) 9.403 10.841 ( -0.599 0.000 9.810) 9.828 11.032 ( 0.167 0.000 -8.428) 8.430 11.290 ( 5.665 0.000 1.774) 5.937 11.327 ( -1.554 0.000 -1.844) 2.411 18.388 ( -0.615 0.000 1.959) 2.053 18.415 ( 1.092 0.000 -0.896) 1.412 18.607 ( -6.547 0.000 3.195) 7.285 18.686 ( 4.901 0.000 -4.231) 6.475 18.935 ( 0.042 0.000 1.387) 1.387 18.951 ( 0.486 0.000 -0.123) 0.502 19.047 ( -1.712 0.000 4.896) 5.187 19.160 ( 3.930 0.000 -5.638) 6.872 19.603 ( -6.708 0.000 4.451) 8.051 19.675 ( 8.868 0.000 -2.942) 9.344 19.942 ( 2.111 0.000 1.259) 2.458 19.979 ( -9.038 0.000 -2.282) 9.321 20.347 ( -0.110 0.000 0.966) 0.972 20.370 ( 0.461 0.000 -1.311) 1.390 20.470 ( 4.425 0.000 -0.047) 4.425 20.471 ( -2.402 0.000 -0.115) 2.405 ======================= Grid point 71 (34/52) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -2.493 0.000 14.289) 14.505 0.795 ( 3.352 0.000 -14.509) 14.891 0.877 ( -3.795 0.000 8.229) 9.062 0.968 ( 9.775 0.000 13.272) 16.484 1.043 ( 5.326 0.000 -16.685) 17.514 1.177 ( 5.456 0.000 -9.030) 10.550 1.385 ( -11.857 0.000 -1.504) 11.952 1.427 ( -3.422 0.000 4.226) 5.437 1.467 ( -4.725 0.000 -2.426) 5.311 1.529 ( 2.502 0.000 -13.963) 14.186 1.596 ( 8.797 0.000 15.991) 18.250 1.618 ( -0.249 0.000 2.473) 2.485 1.716 ( -9.091 0.000 -0.154) 9.093 1.806 ( 0.200 0.000 7.212) 7.215 1.858 ( -2.125 0.000 -1.643) 2.686 1.866 ( 6.747 0.000 1.375) 6.885 1.908 ( -1.749 0.000 -2.044) 2.690 1.969 ( 5.643 0.000 0.666) 5.682 2.067 ( 0.392 0.000 0.968) 1.044 2.104 ( 1.683 0.000 10.227) 10.364 2.144 ( 5.799 0.000 3.560) 6.804 2.208 ( -1.519 0.000 -2.475) 2.904 2.269 ( -0.245 0.000 -9.899) 9.902 2.285 ( -1.542 0.000 -0.520) 1.627 2.328 ( 2.854 0.000 -3.912) 4.842 2.336 ( 1.752 0.000 -2.410) 2.979 2.358 ( -1.903 0.000 -6.739) 7.003 2.370 ( 0.329 0.000 3.875) 3.889 2.470 ( 4.078 0.000 -2.790) 4.941 2.510 ( -0.350 0.000 1.443) 1.485 2.569 ( -0.790 0.000 1.295) 1.517 2.583 ( 0.227 0.000 -0.876) 0.905 2.655 ( -3.545 0.000 2.113) 4.127 2.676 ( -2.702 0.000 2.181) 3.473 2.713 ( -14.652 0.000 0.754) 14.672 2.808 ( -3.980 0.000 -1.338) 4.198 2.838 ( -3.129 0.000 -0.960) 3.273 2.885 ( -2.078 0.000 -0.468) 2.130 2.950 ( 1.699 0.000 7.522) 7.711 2.964 ( 3.696 0.000 -1.054) 3.843 2.978 ( 1.166 0.000 -0.271) 1.197 3.048 ( 3.450 0.000 1.376) 3.715 3.174 ( -0.647 0.000 -2.943) 3.013 3.218 ( -0.082 0.000 0.347) 0.356 3.284 ( 4.025 0.000 -1.136) 4.182 3.389 ( -2.831 0.000 10.320) 10.701 3.405 ( 4.814 0.000 -3.821) 6.146 3.453 ( -2.200 0.000 -7.758) 8.064 3.633 ( -2.792 0.000 -0.785) 2.900 3.707 ( 0.561 0.000 -3.446) 3.492 3.815 ( -1.016 0.000 0.321) 1.066 4.028 ( 4.573 0.000 -2.327) 5.131 4.128 ( 1.292 0.000 0.001) 1.292 4.141 ( 1.955 0.000 3.103) 3.667 4.177 ( 0.542 0.000 2.223) 2.288 4.188 ( 0.411 0.000 -2.342) 2.378 4.388 ( -1.250 0.000 0.780) 1.473 4.452 ( 2.394 0.000 0.411) 2.429 4.604 ( -6.982 0.000 -1.808) 7.212 4.649 ( -2.387 0.000 1.778) 2.977 4.750 ( -0.660 0.000 1.256) 1.419 4.887 ( 5.761 0.000 2.890) 6.445 4.998 ( 0.094 0.000 6.187) 6.188 5.003 ( -6.700 0.000 -9.962) 12.005 5.145 ( -0.729 0.000 0.594) 0.940 5.171 ( -0.388 0.000 0.120) 0.406 5.189 ( 2.244 0.000 -0.104) 2.246 5.234 ( 4.298 0.000 0.765) 4.365 5.413 ( -2.583 0.000 3.979) 4.744 5.516 ( -0.384 0.000 -3.370) 3.392 5.566 ( 2.377 0.000 -3.753) 4.442 5.570 ( -1.598 0.000 5.435) 5.665 8.122 ( -3.296 0.000 3.499) 4.807 8.284 ( 2.426 0.000 -3.893) 4.587 8.408 ( 0.874 0.000 5.877) 5.941 8.511 ( 5.308 0.000 -5.941) 7.967 9.029 ( 2.013 0.000 -2.831) 3.473 9.056 ( 1.885 0.000 3.855) 4.291 9.226 ( -3.410 0.000 5.585) 6.544 9.319 ( -0.263 0.000 -4.227) 4.235 9.763 ( -5.894 0.000 3.235) 6.723 9.907 ( -3.892 0.000 -1.355) 4.121 10.007 ( 2.411 0.000 1.658) 2.926 10.023 ( 1.966 0.000 1.999) 2.804 10.295 ( 3.360 0.000 -3.682) 4.984 10.307 ( 1.048 0.000 3.428) 3.585 10.373 ( -2.856 0.000 9.420) 9.843 10.601 ( 2.597 0.000 -7.583) 8.016 10.926 ( 1.493 0.000 9.082) 9.204 10.964 ( -0.339 0.000 -9.782) 9.788 11.236 ( -4.906 0.000 -5.149) 7.112 11.325 ( -1.133 0.000 -0.673) 1.318 18.377 ( -1.570 0.000 1.118) 1.927 18.419 ( 0.334 0.000 -1.645) 1.678 18.558 ( -2.316 0.000 5.232) 5.721 18.751 ( 4.286 0.000 -2.968) 5.213 18.936 ( -2.300 0.000 -1.082) 2.542 18.939 ( -0.613 0.000 -0.281) 0.674 19.051 ( -0.149 0.000 1.896) 1.902 19.110 ( -2.563 0.000 -4.102) 4.837 19.490 ( -7.049 0.000 4.135) 8.172 19.756 ( 0.807 0.000 -6.717) 6.765 19.934 ( 4.594 0.000 3.173) 5.583 20.036 ( 3.450 0.000 6.250) 7.139 20.340 ( -1.313 0.000 0.540) 1.420 20.361 ( -0.095 0.000 -1.612) 1.615 20.442 ( 0.207 0.000 -0.633) 0.666 20.539 ( 3.437 0.000 -1.815) 3.887 ======================= Grid point 72 (35/52) ======================= q-point: (-0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -9.216 0.000 11.884) 15.038 0.782 ( 5.005 0.000 -11.159) 12.230 0.907 ( 1.767 0.000 4.201) 4.558 1.013 ( 3.484 0.000 -10.283) 10.857 1.046 ( -13.860 0.000 -2.677) 14.116 1.166 ( 5.326 0.000 -9.746) 11.107 1.322 ( 5.205 0.000 6.293) 8.167 1.346 ( -5.275 0.000 0.071) 5.276 1.384 ( -0.931 0.000 3.402) 3.527 1.564 ( -6.579 0.000 3.113) 7.279 1.567 ( 7.164 0.000 -7.473) 10.353 1.651 ( 1.431 0.000 0.169) 1.441 1.787 ( -5.362 0.000 6.510) 8.434 1.806 ( 3.400 0.000 0.391) 3.422 1.829 ( -0.190 0.000 5.176) 5.179 1.837 ( -2.138 0.000 -1.374) 2.542 2.002 ( -6.641 0.000 -0.071) 6.641 2.098 ( 2.432 0.000 2.245) 3.309 2.113 ( 2.752 0.000 3.623) 4.550 2.153 ( 4.440 0.000 -0.174) 4.444 2.185 ( 7.467 0.000 -15.645) 17.335 2.226 ( 1.018 0.000 8.329) 8.391 2.267 ( 5.101 0.000 0.041) 5.101 2.304 ( -2.052 0.000 -1.822) 2.744 2.324 ( 0.831 0.000 -3.790) 3.880 2.329 ( 0.519 0.000 4.377) 4.408 2.356 ( 4.456 0.000 -1.640) 4.748 2.376 ( -4.335 0.000 4.078) 5.952 2.409 ( -8.496 0.000 0.031) 8.496 2.448 ( -2.856 0.000 -0.421) 2.887 2.488 ( 0.484 0.000 1.144) 1.242 2.562 ( -0.157 0.000 -2.389) 2.394 2.605 ( -0.407 0.000 -1.226) 1.292 2.609 ( -2.951 0.000 -3.504) 4.581 2.707 ( 2.576 0.000 1.061) 2.786 2.783 ( -2.454 0.000 0.639) 2.536 2.788 ( 2.975 0.000 1.823) 3.489 2.856 ( 0.007 0.000 2.815) 2.815 2.985 ( -0.740 0.000 2.180) 2.302 3.006 ( 2.304 0.000 -3.012) 3.792 3.039 ( -0.006 0.000 6.043) 6.043 3.075 ( -2.107 0.000 -0.582) 2.186 3.135 ( 0.289 0.000 -2.702) 2.717 3.241 ( -8.075 0.000 -12.534) 14.910 3.259 ( 1.917 0.000 3.684) 4.153 3.366 ( 4.351 0.000 -1.660) 4.657 3.387 ( -4.575 0.000 6.746) 8.152 3.423 ( 0.512 0.000 -3.512) 3.549 3.638 ( 2.206 0.000 -0.901) 2.383 3.680 ( -0.570 0.000 -2.777) 2.835 3.861 ( 3.514 0.000 3.380) 4.876 4.026 ( -1.133 0.000 -4.136) 4.289 4.155 ( 0.877 0.000 -0.212) 0.903 4.180 ( 0.231 0.000 -1.656) 1.672 4.218 ( 1.577 0.000 4.476) 4.746 4.223 ( 2.644 0.000 1.782) 3.188 4.388 ( 1.384 0.000 3.370) 3.643 4.480 ( 0.145 0.000 0.814) 0.827 4.524 ( -1.060 0.000 -0.670) 1.254 4.648 ( -0.057 0.000 2.139) 2.140 4.723 ( -2.834 0.000 0.643) 2.906 4.737 ( -10.261 0.000 -7.990) 13.005 5.027 ( 5.045 0.000 0.064) 5.045 5.031 ( -0.526 0.000 3.389) 3.430 5.135 ( -0.762 0.000 1.196) 1.418 5.156 ( -0.878 0.000 -0.144) 0.889 5.247 ( 2.985 0.000 0.808) 3.092 5.289 ( 1.008 0.000 -0.492) 1.122 5.403 ( -1.536 0.000 3.834) 4.130 5.493 ( 1.213 0.000 -4.397) 4.561 5.557 ( -3.947 0.000 5.402) 6.690 5.602 ( 4.214 0.000 -3.698) 5.606 8.106 ( -1.537 0.000 4.740) 4.983 8.253 ( -0.728 0.000 -5.702) 5.749 8.464 ( 0.279 0.000 5.326) 5.333 8.575 ( 3.995 0.000 -4.649) 6.130 9.081 ( -3.777 0.000 5.457) 6.637 9.092 ( 6.749 0.000 -2.667) 7.257 9.217 ( -0.831 0.000 3.831) 3.920 9.291 ( -0.046 0.000 -2.571) 2.572 9.731 ( -0.689 0.000 3.268) 3.339 9.835 ( -1.835 0.000 -2.651) 3.224 10.044 ( 0.412 0.000 2.331) 2.367 10.058 ( 0.914 0.000 0.845) 1.245 10.316 ( -1.516 0.000 5.273) 5.487 10.354 ( 3.577 0.000 -1.134) 3.753 10.457 ( 2.457 0.000 9.017) 9.345 10.568 ( -0.675 0.000 -4.070) 4.125 10.872 ( -1.976 0.000 -9.215) 9.425 10.941 ( -4.931 0.000 -1.714) 5.220 11.168 ( 2.954 0.000 -1.620) 3.369 11.272 ( -3.297 0.000 -1.457) 3.605 18.360 ( -1.096 0.000 1.397) 1.775 18.407 ( 0.053 0.000 -2.221) 2.222 18.590 ( 1.178 0.000 5.911) 6.027 18.770 ( -1.522 0.000 -2.025) 2.534 18.852 ( -2.134 0.000 -2.879) 3.584 18.896 ( -2.291 0.000 -2.940) 3.727 19.060 ( -2.133 0.000 1.517) 2.618 19.097 ( 4.172 0.000 -3.046) 5.166 19.445 ( -2.949 0.000 8.984) 9.456 19.688 ( -1.130 0.000 -7.643) 7.726 20.069 ( 6.652 0.000 1.751) 6.879 20.103 ( -1.800 0.000 5.993) 6.257 20.320 ( -0.664 0.000 0.120) 0.675 20.346 ( -0.073 0.000 -1.871) 1.873 20.472 ( 2.137 0.000 1.410) 2.560 20.563 ( 1.022 0.000 -2.843) 3.021 ======================= Grid point 73 (36/52) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( -10.316 0.000 11.607) 15.528 0.698 ( -11.135 0.000 7.350) 13.343 0.940 ( 8.100 0.000 -11.587) 14.138 0.978 ( -1.883 0.000 7.495) 7.728 1.065 ( 10.298 0.000 -3.212) 10.787 1.135 ( 0.604 0.000 -10.441) 10.458 1.284 ( -1.011 0.000 0.848) 1.319 1.307 ( -2.938 0.000 4.319) 5.224 1.478 ( -5.917 0.000 1.506) 6.105 1.541 ( -3.167 0.000 10.127) 10.611 1.585 ( -4.502 0.000 -7.983) 9.165 1.642 ( 4.732 0.000 -3.832) 6.090 1.705 ( -8.895 0.000 13.716) 16.348 1.772 ( -2.984 0.000 3.118) 4.316 1.843 ( 2.411 0.000 3.849) 4.541 1.865 ( -2.157 0.000 -0.004) 2.157 1.936 ( 4.908 0.000 3.466) 6.008 2.041 ( -1.692 0.000 -5.471) 5.727 2.125 ( -4.737 0.000 1.514) 4.973 2.155 ( 0.066 0.000 -4.509) 4.510 2.165 ( -5.696 0.000 -2.033) 6.048 2.239 ( -5.844 0.000 3.336) 6.728 2.264 ( -2.000 0.000 2.208) 2.979 2.280 ( -1.302 0.000 2.803) 3.091 2.315 ( 0.163 0.000 -2.387) 2.393 2.339 ( 1.715 0.000 -1.028) 2.000 2.412 ( 4.657 0.000 -0.377) 4.672 2.462 ( 1.221 0.000 3.307) 3.526 2.490 ( -0.527 0.000 -6.621) 6.642 2.499 ( 17.407 0.000 -9.401) 19.784 2.507 ( 6.692 0.000 1.967) 6.976 2.551 ( 2.329 0.000 -4.596) 5.152 2.571 ( 2.759 0.000 2.739) 3.887 2.596 ( 0.726 0.000 -5.000) 5.052 2.728 ( -2.505 0.000 -0.950) 2.679 2.765 ( 3.287 0.000 3.542) 4.832 2.877 ( -2.287 0.000 -2.978) 3.755 2.897 ( 0.105 0.000 0.354) 0.369 2.956 ( -3.795 0.000 1.876) 4.233 2.998 ( 1.344 0.000 2.997) 3.285 3.052 ( 3.124 0.000 0.996) 3.279 3.059 ( -0.284 0.000 3.361) 3.373 3.076 ( -0.411 0.000 -3.237) 3.263 3.135 ( 1.203 0.000 -3.216) 3.434 3.321 ( 0.512 0.000 5.933) 5.955 3.327 ( -4.738 0.000 2.596) 5.403 3.341 ( -3.086 0.000 -3.668) 4.793 3.481 ( 6.209 0.000 -3.259) 7.012 3.646 ( -1.420 0.000 -1.905) 2.376 3.658 ( 0.717 0.000 -0.677) 0.986 3.941 ( -4.423 0.000 -4.887) 6.591 3.951 ( 2.408 0.000 4.024) 4.690 4.154 ( -0.887 0.000 0.625) 1.085 4.166 ( -0.731 0.000 -1.105) 1.325 4.228 ( -1.247 0.000 0.644) 1.404 4.284 ( 2.981 0.000 -1.501) 3.337 4.451 ( -5.783 0.000 -1.557) 5.989 4.496 ( 2.103 0.000 1.640) 2.667 4.520 ( -3.337 0.000 -0.893) 3.454 4.549 ( 3.982 0.000 8.198) 9.114 4.676 ( -1.200 0.000 -0.363) 1.254 4.699 ( 1.569 0.000 2.185) 2.689 5.013 ( -3.348 0.000 1.184) 3.551 5.086 ( 2.047 0.000 -1.513) 2.546 5.145 ( 1.107 0.000 0.859) 1.401 5.151 ( 0.489 0.000 -0.279) 0.563 5.262 ( -3.077 0.000 -0.826) 3.186 5.287 ( 0.872 0.000 -0.207) 0.896 5.418 ( 0.337 0.000 3.149) 3.167 5.491 ( 2.249 0.000 -4.896) 5.388 5.515 ( -4.491 0.000 4.762) 6.546 5.656 ( 4.566 0.000 -4.177) 6.189 8.139 ( 0.868 0.000 5.531) 5.599 8.207 ( 0.536 0.000 -5.337) 5.364 8.477 ( -3.691 0.000 5.164) 6.348 8.571 ( 0.177 0.000 -5.065) 5.068 9.018 ( -5.832 0.000 4.401) 7.306 9.164 ( 1.041 0.000 -2.532) 2.738 9.238 ( -0.083 0.000 2.727) 2.728 9.303 ( 5.033 0.000 -4.497) 6.749 9.772 ( 2.476 0.000 2.918) 3.827 9.809 ( 1.671 0.000 -3.969) 4.307 10.066 ( 0.643 0.000 0.384) 0.749 10.076 ( 1.137 0.000 -0.639) 1.304 10.332 ( -1.639 0.000 3.892) 4.223 10.373 ( -0.390 0.000 -0.643) 0.752 10.529 ( -1.669 0.000 0.619) 1.780 10.536 ( -1.482 0.000 -0.199) 1.496 10.821 ( 2.438 0.000 5.056) 5.613 10.826 ( -2.870 0.000 -3.564) 4.576 11.195 ( -3.167 0.000 -2.863) 4.269 11.251 ( 4.845 0.000 0.323) 4.856 18.360 ( -0.344 0.000 2.163) 2.190 18.395 ( 0.487 0.000 -1.964) 2.023 18.691 ( -2.114 0.000 -4.187) 4.690 18.694 ( 5.220 0.000 6.324) 8.200 18.835 ( -2.039 0.000 -1.637) 2.615 18.858 ( 2.029 0.000 0.608) 2.119 19.028 ( -3.535 0.000 3.137) 4.726 19.110 ( -0.058 0.000 -3.439) 3.440 19.510 ( 1.597 0.000 9.998) 10.125 19.621 ( 0.556 0.000 -8.127) 8.146 20.065 ( -5.077 0.000 2.138) 5.509 20.184 ( 5.245 0.000 -0.843) 5.312 20.321 ( 0.295 0.000 0.655) 0.718 20.334 ( 0.230 0.000 -1.768) 1.783 20.512 ( 0.270 0.000 2.207) 2.223 20.525 ( -2.659 0.000 -4.088) 4.877 ======================= Grid point 74 (37/52) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -5.425 0.000 15.017) 15.967 0.654 ( -4.174 0.000 18.085) 18.560 0.950 ( -5.583 0.000 6.687) 8.711 0.984 ( 3.344 0.000 -14.002) 14.395 1.087 ( 5.179 0.000 -11.290) 12.421 1.186 ( -15.369 0.000 18.040) 23.699 1.226 ( 0.129 0.000 -1.205) 1.212 1.334 ( 3.873 0.000 0.678) 3.932 1.450 ( 5.532 0.000 -5.220) 7.606 1.450 ( 2.053 0.000 11.711) 11.889 1.542 ( -3.469 0.000 7.909) 8.637 1.687 ( -1.139 0.000 0.740) 1.358 1.722 ( 0.479 0.000 0.819) 0.949 1.762 ( 4.023 0.000 -0.878) 4.117 1.849 ( -0.511 0.000 1.115) 1.226 1.884 ( -1.161 0.000 -1.767) 2.115 1.966 ( -4.342 0.000 -5.860) 7.293 2.015 ( -7.988 0.000 -3.012) 8.537 2.087 ( 4.864 0.000 9.930) 11.058 2.109 ( 2.075 0.000 6.909) 7.214 2.164 ( 3.231 0.000 -4.533) 5.567 2.186 ( -3.114 0.000 5.340) 6.182 2.226 ( -1.228 0.000 -3.666) 3.866 2.257 ( -2.267 0.000 2.663) 3.497 2.296 ( 0.879 0.000 -3.077) 3.200 2.325 ( -2.442 0.000 -0.647) 2.526 2.366 ( -3.485 0.000 -3.630) 5.032 2.485 ( -1.366 0.000 -4.627) 4.825 2.505 ( 3.093 0.000 -1.117) 3.289 2.527 ( -1.072 0.000 -11.274) 11.325 2.568 ( 5.749 0.000 -0.906) 5.820 2.586 ( -0.040 0.000 -0.126) 0.132 2.659 ( -0.964 0.000 -0.133) 0.973 2.712 ( 8.461 0.000 4.444) 9.558 2.773 ( -3.365 0.000 -0.684) 3.434 2.795 ( 7.310 0.000 -4.309) 8.486 2.834 ( 7.565 0.000 -4.817) 8.969 2.882 ( 1.291 0.000 0.638) 1.440 2.911 ( -1.692 0.000 3.577) 3.957 2.999 ( -0.830 0.000 -1.815) 1.996 3.058 ( -1.288 0.000 1.371) 1.881 3.089 ( -3.367 0.000 -5.861) 6.759 3.117 ( 1.881 0.000 1.550) 2.437 3.220 ( 1.706 0.000 10.443) 10.581 3.252 ( -2.062 0.000 -3.498) 4.061 3.268 ( -0.608 0.000 1.502) 1.620 3.371 ( -1.427 0.000 3.179) 3.485 3.554 ( 4.610 0.000 -5.532) 7.201 3.628 ( 2.252 0.000 -0.163) 2.258 3.659 ( -0.457 0.000 0.770) 0.895 3.829 ( -2.821 0.000 -1.451) 3.172 3.981 ( -2.342 0.000 2.619) 3.514 4.140 ( -1.190 0.000 -0.911) 1.498 4.144 ( -0.792 0.000 1.602) 1.787 4.209 ( -0.389 0.000 -1.118) 1.184 4.230 ( -4.277 0.000 -5.002) 6.581 4.392 ( 0.069 0.000 0.520) 0.524 4.471 ( -2.802 0.000 -1.231) 3.060 4.559 ( 5.274 0.000 2.605) 5.882 4.660 ( 2.183 0.000 3.156) 3.837 4.728 ( -1.004 0.000 2.661) 2.844 4.769 ( 6.010 0.000 9.820) 11.514 4.931 ( -5.876 0.000 -0.962) 5.955 5.103 ( 1.895 0.000 -2.650) 3.258 5.150 ( -1.334 0.000 0.090) 1.337 5.170 ( 0.888 0.000 0.102) 0.893 5.196 ( -1.961 0.000 -0.622) 2.057 5.271 ( -1.210 0.000 -3.312) 3.526 5.452 ( -0.481 0.000 3.014) 3.052 5.483 ( -1.225 0.000 4.228) 4.402 5.502 ( 2.738 0.000 -4.726) 5.462 5.682 ( 1.288 0.000 -5.645) 5.790 8.193 ( -0.399 0.000 4.846) 4.862 8.198 ( 2.279 0.000 -4.051) 4.647 8.404 ( -7.036 0.000 4.684) 8.452 8.532 ( 0.447 0.000 -6.036) 6.052 8.969 ( -2.005 0.000 3.091) 3.684 9.116 ( -3.104 0.000 -2.140) 3.771 9.247 ( -1.262 0.000 3.108) 3.354 9.359 ( 4.607 0.000 -7.222) 8.566 9.835 ( 4.341 0.000 -3.895) 5.832 9.856 ( 4.090 0.000 3.120) 5.144 10.058 ( -1.042 0.000 -1.857) 2.129 10.074 ( -1.764 0.000 -4.098) 4.462 10.250 ( -7.103 0.000 0.022) 7.103 10.356 ( -1.263 0.000 -0.910) 1.557 10.457 ( -5.265 0.000 5.810) 7.841 10.514 ( 1.610 0.000 -2.483) 2.959 10.802 ( -0.655 0.000 3.967) 4.021 11.030 ( 9.324 0.000 4.194) 10.224 11.137 ( 1.023 0.000 0.193) 1.041 11.322 ( 2.606 0.000 -0.372) 2.632 18.375 ( -0.082 0.000 2.532) 2.534 18.399 ( 1.223 0.000 -1.163) 1.687 18.656 ( 1.645 0.000 -4.239) 4.546 18.719 ( -5.483 0.000 -0.121) 5.485 18.905 ( 4.803 0.000 2.355) 5.349 18.912 ( 2.598 0.000 1.775) 3.147 19.026 ( 4.651 0.000 4.480) 6.458 19.068 ( -2.462 0.000 0.093) 2.464 19.599 ( 3.243 0.000 -6.367) 7.146 19.608 ( 0.666 0.000 8.003) 8.031 19.973 ( -4.650 0.000 -0.750) 4.710 20.184 ( -4.541 0.000 -8.345) 9.501 20.335 ( 0.478 0.000 0.956) 1.069 20.346 ( 2.454 0.000 0.166) 2.459 20.436 ( -2.548 0.000 -0.440) 2.586 20.509 ( -1.879 0.000 1.277) 2.271 ======================= Grid point 75 (38/52) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -0.709 8.531 14.089) 16.485 0.834 ( 2.339 14.839 10.389) 18.265 1.016 ( -2.288 10.019 2.894) 10.677 1.076 ( -0.381 12.214 -7.050) 14.108 1.128 ( 0.192 3.747 -12.402) 12.957 1.176 ( 1.598 4.477 -7.253) 8.672 1.290 ( 0.635 2.160 16.534) 16.686 1.444 ( 2.344 0.527 7.164) 7.556 1.522 ( 0.765 2.148 0.906) 2.453 1.570 ( -0.725 2.520 5.930) 6.484 1.608 ( -6.531 -5.333 -9.072) 12.386 1.663 ( -0.717 1.688 -4.147) 4.535 1.756 ( 2.779 1.543 6.385) 7.133 1.779 ( 8.137 3.165 4.695) 9.913 1.848 ( -1.382 -0.130 0.231) 1.407 1.863 ( -2.218 2.020 -1.048) 3.178 1.873 ( -2.094 -0.285 -2.335) 3.150 1.954 ( -3.206 0.776 -7.434) 8.133 2.059 ( -0.147 -1.568 5.385) 5.611 2.099 ( -3.001 -0.383 3.121) 4.347 2.189 ( -2.489 0.456 4.129) 4.843 2.201 ( 1.664 1.036 -2.590) 3.248 2.220 ( -0.308 0.200 2.532) 2.558 2.271 ( 3.007 -0.051 -0.658) 3.078 2.318 ( 5.239 0.031 -6.136) 8.069 2.339 ( 0.245 1.052 -7.443) 7.521 2.396 ( 3.464 0.724 1.238) 3.749 2.437 ( 0.177 1.811 2.853) 3.384 2.475 ( -1.558 1.526 -1.382) 2.582 2.507 ( 0.222 3.003 -4.021) 5.024 2.581 ( -1.237 0.993 -0.508) 1.666 2.627 ( -1.101 2.156 -3.155) 3.977 2.682 ( -1.941 -0.592 1.749) 2.679 2.738 ( 1.449 1.500 -2.412) 3.188 2.780 ( -4.245 -2.483 2.857) 5.688 2.821 ( 2.323 -2.842 3.720) 5.226 2.839 ( 2.624 -2.212 -0.185) 3.436 2.898 ( -5.156 -3.177 -2.288) 6.474 2.925 ( 1.964 0.815 2.121) 3.004 2.965 ( -1.337 1.501 -2.048) 2.869 3.049 ( -1.967 3.806 0.527) 4.317 3.072 ( 0.179 3.531 -1.556) 3.862 3.204 ( -1.229 -2.031 1.152) 2.639 3.228 ( 1.568 -1.313 -1.829) 2.744 3.271 ( 3.826 2.919 1.389) 5.009 3.297 ( -2.161 1.653 0.233) 2.731 3.316 ( 1.124 0.175 5.141) 5.265 3.480 ( 0.272 -5.428 -7.114) 8.953 3.666 ( -0.447 0.120 0.254) 0.528 3.678 ( 2.103 -1.265 -0.796) 2.580 3.881 ( 3.072 -1.191 0.682) 3.364 3.890 ( -1.752 -0.906 -0.206) 1.983 4.100 ( -0.242 -1.340 1.248) 1.847 4.124 ( 0.857 -1.879 -0.219) 2.076 4.148 ( -0.505 -0.235 -1.965) 2.042 4.164 ( -1.398 -2.389 -1.802) 3.303 4.374 ( 0.441 -2.506 1.282) 2.849 4.395 ( -1.331 -2.132 -0.699) 2.608 4.660 ( -3.549 -2.667 2.605) 5.148 4.681 ( 6.495 -2.766 1.004) 7.131 4.734 ( 1.971 0.023 2.621) 3.280 4.780 ( -5.990 -0.386 -1.994) 6.325 4.890 ( -0.255 -2.564 8.199) 8.595 4.999 ( 2.154 -4.688 -1.403) 5.347 5.171 ( -0.267 0.621 0.812) 1.057 5.180 ( -0.804 -0.055 0.632) 1.024 5.211 ( -0.441 1.912 -0.259) 1.979 5.263 ( 0.604 0.748 -5.347) 5.433 5.415 ( -3.788 -2.105 3.001) 5.272 5.458 ( 3.417 -1.683 -0.888) 3.911 5.551 ( 0.256 -0.994 -0.861) 1.339 5.578 ( -1.133 -2.890 -2.685) 4.104 8.161 ( -2.636 -0.472 3.100) 4.096 8.222 ( 2.821 -0.945 -2.631) 3.972 8.361 ( -1.741 -0.462 4.580) 4.922 8.469 ( 2.318 -3.103 -5.636) 6.839 8.902 ( 0.419 -6.240 2.770) 6.840 8.955 ( -0.583 -6.914 -2.264) 7.298 9.155 ( -2.003 -7.075 4.901) 8.837 9.276 ( 0.758 -6.405 -7.063) 9.565 9.851 ( -7.288 -2.425 1.138) 7.764 9.860 ( 3.460 -2.216 0.235) 4.115 10.053 ( 3.065 6.486 4.742) 8.599 10.141 ( -2.554 8.229 -3.844) 9.435 10.327 ( 1.552 6.445 3.101) 7.319 10.377 ( -2.743 5.469 -0.502) 6.139 10.484 ( -4.558 5.741 1.328) 7.449 10.572 ( 4.874 0.433 -6.235) 7.926 10.798 ( 0.942 -2.172 10.677) 10.936 10.994 ( -0.188 -2.671 -8.453) 8.866 11.289 ( 4.664 -0.864 2.538) 5.380 11.325 ( -1.290 -0.763 -1.277) 1.969 18.402 ( -0.803 1.276 1.989) 2.496 18.432 ( 0.729 1.405 -1.147) 1.955 18.614 ( -1.439 0.486 3.940) 4.222 18.723 ( 0.899 2.606 -6.164) 6.752 18.936 ( -0.915 -0.763 1.225) 1.709 18.945 ( 0.777 0.846 0.544) 1.271 19.047 ( -0.178 0.085 5.007) 5.011 19.156 ( 2.867 -0.303 -5.414) 6.134 19.527 ( -1.167 -5.852 3.309) 6.823 19.613 ( -1.738 -5.080 -5.193) 7.469 19.937 ( 3.164 0.729 4.443) 5.503 20.009 ( -4.695 1.179 -2.775) 5.579 20.354 ( -0.177 0.512 0.894) 1.046 20.374 ( 0.461 0.301 -1.097) 1.227 20.473 ( 0.636 0.763 1.254) 1.600 20.495 ( 0.993 1.152 -0.842) 1.739 ======================= Grid point 76 (39/52) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -2.633 13.254 8.751) 16.099 0.954 ( 2.530 10.785 -7.106) 13.161 0.989 ( 0.010 4.763 -4.811) 6.770 1.020 ( 2.264 7.884 6.433) 10.424 1.120 ( 4.513 10.067 -1.619) 11.151 1.217 ( 4.374 2.758 -5.862) 7.816 1.330 ( -6.741 -3.322 2.031) 7.785 1.477 ( -2.810 1.513 4.908) 5.855 1.516 ( -0.248 5.297 -4.747) 7.117 1.579 ( 0.320 -0.245 4.195) 4.214 1.588 ( 5.318 0.481 3.215) 6.233 1.635 ( 0.411 3.392 -0.598) 3.469 1.723 ( -5.986 0.530 -2.588) 6.543 1.764 ( -4.637 -0.608 0.034) 4.676 1.828 ( 4.527 -2.694 0.954) 5.354 1.865 ( -3.435 -0.907 -0.280) 3.564 1.934 ( 1.185 2.173 6.709) 7.151 1.979 ( 6.441 1.418 2.982) 7.238 2.053 ( 1.165 -0.968 -0.475) 1.588 2.110 ( 1.370 0.170 1.647) 2.149 2.192 ( 3.603 4.047 1.987) 5.771 2.218 ( -0.472 0.938 -0.745) 1.287 2.245 ( -0.318 -1.034 -5.893) 5.992 2.261 ( 0.195 -1.765 -0.860) 1.973 2.300 ( -1.360 -2.511 -6.477) 7.078 2.339 ( 1.866 2.942 0.080) 3.485 2.402 ( -1.008 2.511 -5.112) 5.784 2.431 ( 2.827 2.241 0.187) 3.612 2.497 ( 1.945 2.117 0.847) 2.998 2.532 ( -0.465 0.973 0.597) 1.232 2.581 ( -3.247 2.624 -0.876) 4.266 2.623 ( 1.429 2.630 -2.883) 4.156 2.641 ( -0.023 -0.045 4.548) 4.549 2.670 ( -6.592 1.178 3.910) 7.754 2.757 ( -3.002 -2.737 1.348) 4.280 2.793 ( -2.766 -1.301 -1.354) 3.343 2.820 ( -3.797 0.241 -3.929) 5.469 2.901 ( -0.235 1.664 2.997) 3.436 2.922 ( 2.272 -2.290 5.534) 6.405 2.958 ( 0.679 0.099 -1.645) 1.782 2.995 ( -3.879 2.964 -0.166) 4.885 3.108 ( 1.967 3.690 0.001) 4.181 3.168 ( -3.541 -2.343 -0.545) 4.281 3.199 ( 0.853 0.186 -0.802) 1.185 3.277 ( 4.700 -0.758 -0.856) 4.837 3.341 ( -2.114 -3.855 6.105) 7.523 3.413 ( -2.034 -2.956 -6.894) 7.772 3.433 ( 3.837 1.899 -1.166) 4.438 3.622 ( -1.910 -0.734 -0.492) 2.105 3.699 ( 0.706 -0.505 -2.168) 2.335 3.807 ( -1.819 -0.476 -0.035) 1.880 3.986 ( 3.620 -3.300 -1.826) 5.228 4.100 ( -0.374 -2.880 0.532) 2.953 4.133 ( 1.645 -0.770 0.030) 1.816 4.142 ( 0.654 0.070 0.181) 0.682 4.184 ( 2.440 -1.827 1.198) 3.275 4.374 ( 0.038 -1.704 0.661) 1.828 4.425 ( 2.350 -2.205 0.875) 3.339 4.577 ( -5.470 -1.854 -0.578) 5.805 4.667 ( -4.186 1.046 1.020) 4.434 4.736 ( 0.573 -1.857 -0.559) 2.023 4.844 ( -1.351 -5.418 1.762) 5.855 4.855 ( 1.798 -3.244 1.366) 3.953 5.055 ( 1.074 -1.285 -1.537) 2.273 5.165 ( -0.972 1.201 1.861) 2.419 5.192 ( 1.095 0.089 0.685) 1.294 5.200 ( -0.896 1.130 0.118) 1.447 5.251 ( 2.086 0.477 -1.538) 2.635 5.383 ( -1.444 -1.526 2.470) 3.243 5.488 ( -1.658 -2.947 1.367) 3.647 5.528 ( 2.268 -0.397 -2.346) 3.287 5.583 ( 0.485 -1.544 -0.519) 1.699 8.125 ( -3.187 0.226 3.021) 4.397 8.253 ( 1.458 -2.693 -3.539) 4.680 8.379 ( 0.623 -2.289 4.207) 4.830 8.493 ( 4.565 -1.778 -5.079) 7.057 8.941 ( 2.251 -6.915 0.964) 7.336 8.977 ( 3.691 -5.338 -0.203) 6.493 9.144 ( -3.727 -6.392 6.080) 9.577 9.226 ( -1.036 -7.342 -4.602) 8.727 9.749 ( -4.333 -0.308 3.015) 5.287 9.938 ( 1.389 -1.158 2.132) 2.796 10.042 ( -2.652 6.164 -2.700) 7.233 10.125 ( 0.808 6.973 3.032) 7.646 10.355 ( 1.378 4.463 -1.015) 4.780 10.403 ( -0.129 6.760 0.886) 6.819 10.425 ( -0.135 4.330 6.701) 7.979 10.604 ( 2.298 0.640 -4.264) 4.885 10.876 ( -1.020 -2.730 0.565) 2.969 10.948 ( 3.138 -1.595 -2.645) 4.403 11.245 ( -4.680 0.178 -4.549) 6.529 11.324 ( -1.001 -0.689 -0.537) 1.329 18.394 ( -1.257 1.547 1.451) 2.465 18.439 ( 0.704 1.508 -1.229) 2.069 18.595 ( -2.419 3.177 3.163) 5.094 18.730 ( 2.015 -1.948 -2.115) 3.511 18.899 ( -2.053 -1.944 -0.984) 2.994 18.971 ( -1.946 1.908 -1.440) 3.082 19.053 ( 1.777 0.627 1.093) 2.178 19.134 ( -0.701 1.730 -2.527) 3.141 19.441 ( -5.140 -3.898 3.054) 7.137 19.718 ( 7.298 -5.745 0.893) 9.331 19.883 ( -3.888 -0.418 -0.379) 3.929 20.054 ( 3.284 0.287 2.996) 4.455 20.347 ( -1.218 0.496 0.624) 1.456 20.365 ( -0.255 0.241 -1.267) 1.315 20.448 ( -0.190 0.692 -0.670) 0.982 20.557 ( 3.276 1.047 -1.640) 3.810 ======================= Grid point 77 (40/52) ======================= q-point: (-0.60 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -6.417 13.271 6.812) 16.239 0.917 ( -0.595 8.629 -4.208) 9.619 0.979 ( 5.564 4.850 -12.023) 14.108 0.998 ( -5.495 4.503 -0.792) 7.149 1.199 ( -0.145 10.871 0.824) 10.903 1.257 ( 5.767 7.034 -1.349) 9.196 1.353 ( 2.091 2.407 7.716) 8.349 1.413 ( -2.608 4.771 2.467) 5.970 1.453 ( -4.396 5.336 0.235) 6.918 1.571 ( -2.070 1.087 -1.241) 2.647 1.604 ( 0.303 -1.945 0.862) 2.149 1.631 ( 0.542 4.253 -5.827) 7.234 1.713 ( -0.625 -2.875 0.475) 2.980 1.773 ( 0.301 -2.548 -3.515) 4.352 1.793 ( -0.384 -0.249 8.419) 8.431 1.936 ( 0.207 0.835 3.041) 3.161 1.984 ( 1.154 -0.455 1.225) 1.743 2.081 ( -1.487 -1.834 2.678) 3.570 2.100 ( 3.781 -0.129 0.841) 3.876 2.171 ( 4.949 -0.037 -0.125) 4.950 2.177 ( -1.485 -1.679 3.589) 4.231 2.199 ( 2.816 1.432 -9.477) 9.989 2.241 ( 0.670 -2.020 -1.830) 2.807 2.273 ( 1.001 -0.848 1.700) 2.148 2.309 ( -0.648 -1.198 0.224) 1.380 2.363 ( -0.493 2.364 -1.730) 2.970 2.380 ( -0.041 -0.247 0.098) 0.269 2.419 ( 0.453 2.536 -0.962) 2.750 2.441 ( -3.479 3.098 -0.139) 4.661 2.493 ( 0.060 1.968 -1.180) 2.296 2.518 ( -1.712 4.090 1.952) 4.845 2.621 ( -2.175 5.349 -1.531) 5.973 2.645 ( 1.471 2.582 -1.074) 3.160 2.675 ( -2.413 3.149 0.996) 4.090 2.706 ( 1.552 -0.245 1.958) 2.510 2.777 ( -1.471 -0.752 0.182) 1.662 2.799 ( 3.973 2.877 -0.180) 4.908 2.877 ( -1.300 1.984 1.034) 2.588 2.925 ( -1.436 -3.693 2.541) 4.708 2.978 ( 1.065 -1.119 -1.905) 2.452 3.014 ( 0.913 -2.930 2.532) 3.978 3.081 ( -2.859 -0.933 -0.440) 3.039 3.123 ( -0.845 -1.508 -1.577) 2.340 3.231 ( -5.451 -1.324 -7.752) 9.569 3.250 ( 0.944 -0.593 0.495) 1.220 3.327 ( -2.043 -2.018 2.530) 3.827 3.400 ( 5.845 0.191 -1.899) 6.149 3.421 ( -2.806 -0.139 0.656) 2.885 3.645 ( 2.247 0.839 -0.378) 2.428 3.681 ( -0.455 0.329 -2.081) 2.156 3.829 ( 2.644 -2.455 2.636) 4.469 3.979 ( -1.260 -3.969 -4.024) 5.791 4.112 ( 0.318 -2.521 1.321) 2.864 4.148 ( 0.908 -0.860 -1.132) 1.687 4.203 ( 2.724 -1.358 3.058) 4.314 4.232 ( 1.814 -1.244 0.954) 2.397 4.385 ( 0.236 -0.757 2.003) 2.154 4.457 ( 0.508 -1.791 0.297) 1.885 4.507 ( -1.487 -1.366 0.809) 2.175 4.634 ( -2.867 -1.503 2.141) 3.881 4.701 ( -3.161 -1.970 -5.303) 6.481 4.730 ( -3.383 0.289 -0.058) 3.396 4.964 ( 4.716 -3.321 0.784) 5.821 5.027 ( -2.901 -2.041 0.572) 3.593 5.169 ( -0.576 2.116 2.410) 3.259 5.188 ( 0.234 1.375 0.000) 1.394 5.225 ( 1.590 -1.672 1.267) 2.633 5.278 ( 0.755 -1.763 -1.305) 2.319 5.397 ( 0.143 0.050 2.931) 2.935 5.466 ( -0.324 -1.261 -0.858) 1.559 5.553 ( -0.529 -1.012 0.920) 1.467 5.583 ( 1.898 -2.247 -2.610) 3.933 8.103 ( -1.886 -0.339 4.181) 4.599 8.224 ( -0.308 -2.739 -4.933) 5.651 8.427 ( 0.458 -2.830 4.114) 5.014 8.532 ( 2.812 -3.292 -4.868) 6.514 9.000 ( 0.309 -6.375 3.942) 7.501 9.050 ( 4.818 -3.450 -1.706) 6.166 9.119 ( -2.201 -7.339 4.098) 8.689 9.182 ( -0.466 -8.461 -2.617) 8.868 9.738 ( 0.031 1.171 3.943) 4.113 9.887 ( -3.182 3.846 -3.394) 6.036 10.061 ( 1.562 0.074 3.625) 3.948 10.144 ( 0.057 5.570 0.453) 5.588 10.375 ( -1.170 4.791 1.829) 5.260 10.395 ( 2.146 4.270 0.797) 4.845 10.522 ( 1.110 5.268 6.810) 8.681 10.610 ( 1.464 3.816 -0.669) 4.142 10.797 ( -1.577 -3.826 -6.357) 7.585 10.985 ( -2.582 1.302 -3.656) 4.661 11.157 ( 1.706 -0.786 -2.248) 2.929 11.269 ( -3.537 -0.609 -1.941) 4.080 18.384 ( -1.065 2.094 1.839) 2.983 18.435 ( 0.397 2.256 -2.123) 3.123 18.604 ( 0.681 1.328 3.896) 4.173 18.723 ( -2.079 -3.694 -1.080) 4.374 18.845 ( -1.014 -0.573 -2.670) 2.913 18.897 ( -2.417 0.003 -3.421) 4.189 19.106 ( 0.122 3.553 0.161) 3.559 19.127 ( 2.399 2.856 -1.020) 3.866 19.433 ( -0.158 -1.208 8.338) 8.427 19.706 ( -3.274 1.850 -6.630) 7.622 19.950 ( 4.679 -8.438 7.053) 11.952 20.099 ( 0.303 -1.805 0.432) 1.880 20.329 ( -0.757 0.654 0.335) 1.055 20.353 ( -0.003 0.414 -1.457) 1.515 20.468 ( 2.028 -0.047 0.724) 2.153 20.568 ( -0.195 0.053 -3.134) 3.141 ======================= Grid point 78 (41/52) ======================= q-point: (-0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -8.478 10.971 9.650) 16.893 0.800 ( -8.006 12.246 5.037) 15.473 1.005 ( 7.916 7.689 -9.154) 14.338 1.052 ( 7.779 2.525 -5.344) 9.770 1.181 ( -3.528 12.765 1.997) 13.393 1.303 ( 2.041 8.881 -3.897) 9.911 1.361 ( 0.439 6.805 6.386) 9.342 1.385 ( -1.401 7.596 0.212) 7.727 1.461 ( -8.786 -0.716 4.001) 9.680 1.545 ( 0.431 0.925 6.789) 6.865 1.599 ( -0.840 1.411 -4.287) 4.591 1.648 ( 2.964 -0.233 -1.754) 3.452 1.683 ( -2.046 -1.428 1.144) 2.745 1.738 ( -0.514 -3.880 -2.277) 4.528 1.848 ( -1.124 1.834 7.308) 7.618 1.871 ( -5.612 2.264 2.601) 6.587 1.982 ( 2.052 3.862 3.631) 5.684 2.086 ( -1.828 0.630 -3.768) 4.235 2.093 ( -2.043 -0.944 1.446) 2.675 2.147 ( -1.306 -0.422 -3.383) 3.651 2.152 ( -3.499 -0.955 0.232) 3.635 2.203 ( -4.333 -2.514 1.933) 5.370 2.246 ( -0.747 -3.494 1.797) 3.999 2.277 ( -1.843 0.161 0.997) 2.101 2.281 ( 1.148 -2.930 -2.517) 4.029 2.375 ( -2.902 3.686 2.399) 5.269 2.423 ( 5.384 -1.236 -3.265) 6.417 2.446 ( 7.694 0.066 -4.012) 8.678 2.458 ( 0.231 -0.375 0.394) 0.591 2.504 ( 4.350 -0.042 -3.397) 5.520 2.578 ( 1.959 6.853 -0.250) 7.132 2.611 ( 5.888 3.829 -4.016) 8.091 2.641 ( 0.491 3.190 -0.716) 3.306 2.696 ( 0.880 6.538 0.236) 6.601 2.731 ( 1.647 0.401 -2.125) 2.719 2.750 ( 2.936 0.036 1.927) 3.512 2.864 ( -4.537 -1.410 -3.003) 5.620 2.882 ( -0.108 -3.453 2.796) 4.444 2.917 ( -2.344 0.201 1.125) 2.607 2.967 ( 1.856 -1.259 0.555) 2.311 3.043 ( 3.841 -0.978 1.849) 4.373 3.062 ( 0.767 -1.069 -3.282) 3.536 3.088 ( 0.868 0.927 3.207) 3.450 3.126 ( 0.021 -1.415 -3.209) 3.507 3.268 ( -2.855 -3.302 2.664) 5.114 3.317 ( -1.682 -0.334 2.475) 3.011 3.367 ( -1.800 1.243 -0.678) 2.291 3.479 ( 5.027 -1.350 -3.901) 6.505 3.654 ( -1.283 0.922 -1.456) 2.148 3.664 ( 0.531 1.177 -0.332) 1.333 3.898 ( -3.204 -3.437 -3.634) 5.941 3.910 ( 2.089 -3.270 2.557) 4.647 4.115 ( -1.231 -1.768 1.614) 2.692 4.146 ( 0.016 -0.908 -1.638) 1.872 4.237 ( -0.358 -0.677 0.322) 0.831 4.256 ( 0.324 -3.100 -1.720) 3.560 4.409 ( -2.399 -2.596 1.412) 3.806 4.447 ( 1.145 -2.259 -0.330) 2.554 4.538 ( -1.926 -0.020 0.313) 1.951 4.554 ( 1.977 -0.427 5.445) 5.809 4.677 ( -1.337 0.230 0.114) 1.362 4.703 ( 1.098 0.136 1.362) 1.755 4.962 ( -4.483 -3.366 0.718) 5.651 5.036 ( 2.669 -3.194 -0.116) 4.164 5.163 ( -1.115 0.614 1.545) 2.001 5.209 ( 0.813 2.708 -0.042) 2.827 5.258 ( -0.756 -1.024 -0.644) 1.426 5.267 ( 2.096 -2.098 -1.801) 3.469 5.402 ( -1.631 -0.232 2.291) 2.821 5.469 ( 0.602 -0.817 0.006) 1.015 5.526 ( -1.554 -0.523 -0.166) 1.648 5.616 ( 3.096 -3.671 -3.010) 5.667 8.120 ( -0.063 -1.555 4.787) 5.033 8.196 ( 1.498 -1.350 -4.598) 5.021 8.438 ( -2.970 -2.648 4.257) 5.827 8.519 ( 0.040 -4.046 -4.667) 6.177 8.966 ( -5.752 -4.000 4.598) 8.380 9.075 ( -1.525 -7.373 -1.940) 7.775 9.131 ( 0.252 -8.576 2.312) 8.886 9.220 ( 6.937 -6.122 -5.042) 10.537 9.779 ( 0.035 1.420 3.037) 3.352 9.850 ( 3.386 2.963 -3.173) 5.506 10.100 ( -1.223 1.125 2.808) 3.262 10.137 ( 0.449 2.371 -1.600) 2.895 10.370 ( -2.129 4.901 3.193) 6.225 10.422 ( 0.479 3.988 -0.991) 4.137 10.559 ( -0.211 3.411 4.827) 5.914 10.598 ( -1.718 5.337 -3.096) 6.405 10.832 ( -5.781 1.062 -8.479) 10.317 10.848 ( 6.497 1.039 7.251) 9.792 11.183 ( -3.502 -1.083 -3.079) 4.788 11.236 ( 4.850 -1.509 0.913) 5.161 18.385 ( -0.649 2.088 2.495) 3.317 18.429 ( 0.749 2.642 -2.270) 3.563 18.634 ( -2.294 -2.796 1.280) 3.837 18.710 ( 4.920 -0.439 0.490) 4.963 18.828 ( -1.279 -0.362 -0.305) 1.364 18.861 ( 1.667 -0.008 -1.150) 2.026 19.093 ( -1.863 5.105 0.817) 5.495 19.134 ( -0.372 2.271 -1.853) 2.955 19.531 ( 1.367 2.124 7.637) 8.044 19.610 ( 0.458 -1.030 -5.792) 5.901 20.007 ( -4.310 -5.116 3.157) 7.397 20.120 ( 3.739 -5.232 -2.075) 6.757 20.327 ( 0.062 0.600 0.889) 1.074 20.345 ( 0.387 0.726 -1.460) 1.676 20.498 ( -2.437 -0.792 -0.732) 2.665 20.522 ( 0.194 -0.425 -0.486) 0.674 ======================= Grid point 79 (42/52) ======================= q-point: (-0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -3.658 6.547 14.790) 16.583 0.758 ( -2.019 18.032 8.250) 19.932 1.054 ( 1.110 6.044 -5.365) 8.157 1.093 ( -0.165 9.588 -2.429) 9.892 1.182 ( 2.209 3.886 1.496) 4.714 1.261 ( -5.181 9.816 -4.673) 12.043 1.288 ( -6.700 2.973 6.968) 10.114 1.379 ( -1.692 4.930 1.331) 5.379 1.476 ( -1.520 6.515 1.344) 6.823 1.535 ( 6.118 4.677 2.545) 8.111 1.577 ( 1.477 3.534 7.964) 8.837 1.669 ( 1.287 -2.148 0.217) 2.514 1.708 ( 1.561 -0.062 -3.703) 4.019 1.749 ( 1.201 -3.708 -1.504) 4.178 1.851 ( -2.243 -0.903 1.501) 2.846 1.862 ( -1.171 1.604 3.020) 3.615 1.971 ( -1.299 0.610 -3.461) 3.747 2.030 ( -5.272 1.153 -1.434) 5.584 2.086 ( -0.228 -2.244 2.207) 3.156 2.109 ( -1.434 -0.855 4.488) 4.788 2.149 ( 2.578 0.444 -2.322) 3.498 2.181 ( 0.590 -1.465 1.546) 2.210 2.207 ( -0.854 -1.645 -0.258) 1.871 2.240 ( 0.319 2.164 2.556) 3.364 2.299 ( -0.007 -1.132 -1.438) 1.830 2.323 ( -2.495 2.556 1.083) 3.732 2.437 ( -2.055 1.679 -1.940) 3.287 2.447 ( 0.337 -1.279 -5.766) 5.916 2.493 ( -0.285 0.221 -0.469) 0.592 2.563 ( 0.681 1.530 -3.181) 3.595 2.592 ( 2.490 -0.989 -2.482) 3.652 2.646 ( 2.096 6.972 -4.484) 8.550 2.667 ( 0.266 0.162 1.079) 1.123 2.729 ( 1.923 2.683 3.506) 4.815 2.758 ( 2.331 0.113 -3.037) 3.830 2.797 ( 1.031 -2.907 -1.773) 3.558 2.806 ( 1.282 -2.887 -1.629) 3.555 2.881 ( -1.709 0.705 3.402) 3.872 2.955 ( 5.245 2.884 -0.869) 6.048 2.992 ( 3.311 0.802 -0.950) 3.537 3.029 ( -1.642 -2.192 -3.182) 4.198 3.101 ( -1.081 0.285 -0.066) 1.120 3.135 ( 2.979 1.051 2.317) 3.918 3.206 ( 1.051 -3.038 2.557) 4.107 3.232 ( 1.828 -1.313 3.267) 3.967 3.265 ( -3.973 1.496 1.060) 4.376 3.377 ( -0.069 1.505 0.532) 1.598 3.514 ( 1.815 -4.501 -5.382) 7.247 3.627 ( 1.036 0.205 -0.491) 1.165 3.670 ( 0.166 1.387 0.148) 1.405 3.819 ( -0.860 -0.858 -1.264) 1.753 3.947 ( -1.169 -2.625 2.042) 3.525 4.099 ( -1.396 -2.320 1.725) 3.211 4.129 ( -0.449 -0.770 -1.515) 1.758 4.202 ( -2.440 -2.065 -4.216) 5.291 4.210 ( -1.928 -1.233 -1.205) 2.587 4.371 ( -1.334 -1.791 1.142) 2.508 4.451 ( -2.561 -1.772 -1.248) 3.355 4.551 ( 4.754 -0.804 1.826) 5.156 4.649 ( 0.644 -1.722 5.800) 6.084 4.709 ( 2.069 -0.549 0.132) 2.145 4.756 ( 4.360 -1.352 6.357) 7.826 4.882 ( -4.643 -3.427 0.073) 5.771 5.041 ( -2.654 -2.861 0.427) 3.926 5.162 ( 0.144 -0.077 0.783) 0.800 5.201 ( -1.341 0.777 0.289) 1.576 5.230 ( -1.361 1.500 -0.281) 2.045 5.281 ( 1.582 -0.354 -4.940) 5.199 5.407 ( 1.867 -1.311 0.046) 2.282 5.458 ( -3.237 -1.541 3.492) 5.005 5.525 ( 2.513 0.047 -2.714) 3.699 5.627 ( 0.284 -4.654 -3.615) 5.900 8.153 ( 0.248 -2.139 3.040) 3.726 8.210 ( 1.939 -0.371 -2.174) 2.937 8.387 ( -4.923 -1.055 4.059) 6.467 8.485 ( 0.359 -3.861 -4.755) 6.136 8.906 ( -3.163 -4.421 2.705) 6.072 9.010 ( -3.198 -7.979 -1.872) 8.797 9.149 ( -0.635 -8.028 3.163) 8.652 9.285 ( 4.509 -5.994 -7.370) 10.515 9.797 ( 2.327 -0.780 -0.857) 2.600 9.936 ( 4.754 3.939 1.390) 6.328 10.017 ( -6.895 -1.837 -0.672) 7.167 10.164 ( 1.576 4.687 -0.395) 4.961 10.331 ( -2.981 6.580 0.683) 7.256 10.416 ( -0.390 4.733 -0.143) 4.751 10.544 ( -2.742 6.649 0.842) 7.241 10.571 ( -0.888 5.179 -3.482) 6.303 10.731 ( -0.992 -4.001 3.876) 5.658 11.029 ( 3.833 -1.474 -0.322) 4.119 11.144 ( 3.887 0.501 2.979) 4.923 11.313 ( 2.657 -1.258 0.377) 2.964 18.395 ( -0.397 1.691 2.549) 3.084 18.429 ( 0.822 2.251 -1.646) 2.908 18.607 ( -0.682 -2.171 0.812) 2.416 18.766 ( -0.064 1.511 -4.228) 4.490 18.870 ( 4.716 -2.677 1.888) 5.742 18.926 ( 4.961 0.683 2.877) 5.775 19.035 ( -4.273 2.582 0.458) 5.014 19.125 ( 0.843 3.670 0.075) 3.767 19.514 ( -0.104 -4.384 -2.991) 5.308 19.688 ( 1.866 3.651 3.331) 5.282 19.906 ( -4.245 -5.451 -2.221) 7.257 20.120 ( -2.741 -4.314 -3.589) 6.245 20.343 ( 0.505 0.520 0.982) 1.221 20.355 ( 1.825 0.700 -0.161) 1.961 20.438 ( -1.138 0.366 0.149) 1.204 20.527 ( -1.612 0.668 1.375) 2.222 ======================= Grid point 80 (43/52) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 2.543 5.459 10.160) 11.811 1.097 ( -2.418 5.703 1.028) 6.279 1.174 ( -3.406 2.892 2.429) 5.086 1.258 ( -2.915 10.298 3.072) 11.135 1.282 ( 1.843 7.844 1.951) 8.290 1.295 ( 1.521 -1.076 2.824) 3.383 1.370 ( -3.690 9.911 -6.144) 12.231 1.453 ( -2.395 2.459 -1.756) 3.855 1.505 ( -0.994 -0.881 -0.922) 1.617 1.601 ( 2.606 3.144 -1.169) 4.248 1.634 ( -0.632 2.304 -0.682) 2.484 1.714 ( 0.836 1.850 -5.853) 6.195 1.778 ( 2.990 -1.518 3.960) 5.189 1.817 ( -4.183 1.145 2.381) 4.947 1.861 ( 1.725 1.881 -1.413) 2.917 1.886 ( 3.755 4.050 1.151) 5.641 1.934 ( -3.844 2.320 1.484) 4.729 1.979 ( -2.147 2.197 -4.217) 5.217 2.040 ( -0.484 0.263 2.182) 2.251 2.094 ( -0.240 -0.409 5.263) 5.284 2.179 ( 3.276 -2.549 -2.266) 4.729 2.191 ( 1.147 -0.090 2.902) 3.122 2.234 ( 5.169 -0.763 -4.769) 7.074 2.294 ( -0.991 -0.503 -3.421) 3.597 2.316 ( 1.532 1.047 1.546) 2.415 2.349 ( 0.300 1.028 -2.261) 2.501 2.415 ( 1.518 0.612 0.974) 1.905 2.456 ( -0.524 -1.721 -0.675) 1.922 2.496 ( -1.045 1.654 2.653) 3.296 2.564 ( -1.577 -1.600 0.527) 2.308 2.592 ( 2.401 2.495 -1.105) 3.635 2.648 ( -1.679 -0.474 -0.879) 1.953 2.707 ( -1.387 0.683 1.167) 1.937 2.721 ( 0.511 -1.484 0.736) 1.733 2.739 ( 0.641 -3.077 -1.133) 3.341 2.791 ( -3.860 -5.902 -1.965) 7.321 2.802 ( 0.247 2.375 0.613) 2.465 2.850 ( -0.091 3.541 -3.090) 4.701 2.911 ( -2.422 -1.090 3.053) 4.047 2.979 ( 1.977 -0.072 -2.238) 2.987 3.101 ( 2.077 -2.277 1.338) 3.359 3.107 ( -0.857 -0.546 1.005) 1.429 3.173 ( 0.431 0.118 1.555) 1.618 3.194 ( -0.465 0.352 -0.659) 0.880 3.270 ( 0.681 1.566 2.437) 2.975 3.332 ( -1.205 -4.873 -3.089) 5.894 3.394 ( -1.286 4.642 1.300) 4.989 3.450 ( 3.565 7.550 -3.690) 9.129 3.659 ( 1.091 0.289 1.010) 1.515 3.683 ( -1.801 1.928 -1.304) 2.943 3.856 ( 4.180 -1.678 0.787) 4.573 3.875 ( -3.357 -0.388 -1.057) 3.541 4.059 ( 0.534 -1.613 1.950) 2.587 4.106 ( -0.992 0.028 -2.412) 2.608 4.138 ( -0.376 0.449 -0.620) 0.853 4.150 ( 1.252 0.353 -2.240) 2.590 4.318 ( -0.362 -2.361 1.067) 2.616 4.339 ( -1.337 -2.553 -0.894) 3.018 4.593 ( -1.741 -3.708 1.581) 4.391 4.604 ( 3.430 -4.607 0.489) 5.764 4.725 ( -0.272 -0.743 3.001) 3.104 4.762 ( -0.628 -1.244 -0.284) 1.422 4.833 ( -3.518 -2.841 4.793) 6.589 4.918 ( 3.104 -3.838 -2.378) 5.479 5.172 ( 0.561 -0.419 0.610) 0.929 5.181 ( -0.948 -0.421 -0.149) 1.048 5.218 ( -0.129 -1.540 -0.214) 1.560 5.235 ( -0.717 -0.617 -1.334) 1.635 5.378 ( -2.680 -1.037 3.438) 4.480 5.436 ( 1.871 -1.284 -1.784) 2.887 5.500 ( -0.415 -3.304 -1.090) 3.504 5.509 ( 1.182 -3.605 -1.573) 4.107 8.155 ( -0.258 -0.031 2.163) 2.178 8.198 ( 0.781 -1.141 -1.816) 2.283 8.338 ( -2.344 -1.727 1.691) 3.367 8.388 ( 2.691 -4.143 -2.927) 5.742 8.796 ( -1.030 -3.448 1.348) 3.843 8.834 ( 1.210 -4.077 -2.066) 4.728 9.013 ( -0.941 -5.223 5.612) 7.724 9.137 ( 0.443 -6.229 -6.705) 9.162 9.817 ( -5.014 -0.919 1.505) 5.315 9.825 ( 1.599 -1.146 0.825) 2.133 10.173 ( 3.208 4.648 7.880) 9.694 10.279 ( -0.042 4.178 0.468) 4.204 10.425 ( 0.210 2.252 -0.974) 2.463 10.471 ( -4.712 2.600 -4.982) 7.333 10.564 ( 1.321 2.415 0.219) 2.762 10.618 ( -1.362 3.078 -4.629) 5.723 10.823 ( 1.675 4.899 7.322) 8.968 10.968 ( 0.254 1.011 -6.467) 6.550 11.240 ( 3.254 -3.666 2.834) 5.662 11.273 ( -0.690 -4.322 -0.410) 4.396 18.434 ( -0.874 1.607 1.975) 2.692 18.465 ( 0.376 1.574 -0.728) 1.774 18.617 ( 0.337 -0.267 3.946) 3.969 18.743 ( 1.451 -1.382 -7.285) 7.556 18.932 ( 3.847 0.921 3.828) 5.504 18.984 ( -4.866 1.994 -0.269) 5.266 19.066 ( 3.084 2.614 2.949) 5.004 19.162 ( -1.399 1.375 -5.190) 5.548 19.400 ( 1.289 -5.981 2.494) 6.607 19.497 ( -6.418 -5.854 -6.660) 10.946 19.964 ( 2.689 1.589 4.347) 5.353 20.021 ( -1.217 0.101 -1.589) 2.004 20.365 ( -0.319 0.483 0.728) 0.931 20.379 ( 0.332 0.127 -0.703) 0.788 20.489 ( 0.131 0.603 1.524) 1.645 20.508 ( 1.435 0.136 -0.167) 1.451 ======================= Grid point 81 (44/52) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 1.752 2.512 -2.751) 4.117 1.088 ( 0.626 7.643 4.369) 8.826 1.154 ( -3.539 3.903 5.711) 7.770 1.230 ( -0.300 7.112 -4.490) 8.416 1.310 ( 0.141 5.042 4.300) 6.628 1.327 ( 3.075 8.429 -0.861) 9.014 1.353 ( 1.050 7.708 8.902) 11.822 1.441 ( -0.457 -2.550 2.976) 3.945 1.563 ( 6.081 0.218 1.588) 6.288 1.599 ( -0.753 1.536 -1.513) 2.284 1.649 ( -0.784 5.601 -3.978) 6.914 1.691 ( 1.057 0.002 1.656) 1.965 1.708 ( -6.511 -1.686 4.403) 8.038 1.776 ( -1.895 2.348 -6.153) 6.853 1.853 ( -3.098 4.912 -4.081) 7.098 1.864 ( 1.035 0.696 2.404) 2.708 1.979 ( -2.474 0.560 6.290) 6.782 2.017 ( 3.797 0.947 -2.014) 4.401 2.032 ( 3.210 -0.277 1.112) 3.409 2.105 ( 2.386 -0.126 0.294) 2.407 2.201 ( -0.649 -2.059 -5.958) 6.337 2.224 ( 1.967 0.664 -4.636) 5.079 2.243 ( 1.860 -0.555 -4.071) 4.510 2.283 ( 2.121 1.606 2.117) 3.400 2.301 ( -4.140 2.004 -1.519) 4.844 2.371 ( 0.750 -2.237 -3.479) 4.203 2.407 ( -0.057 1.298 -0.648) 1.452 2.469 ( 1.805 -1.270 1.190) 2.507 2.505 ( 1.115 -0.879 0.172) 1.431 2.555 ( -1.505 3.150 1.686) 3.877 2.619 ( 0.976 -1.171 -2.573) 2.991 2.638 ( -4.190 -2.004 2.611) 5.328 2.670 ( -1.937 0.033 1.368) 2.371 2.685 ( -2.760 -3.552 2.728) 5.261 2.725 ( 1.870 2.498 1.448) 3.439 2.789 ( -0.566 2.958 -5.046) 5.876 2.824 ( 1.698 -3.022 2.708) 4.399 2.837 ( 1.230 -0.030 1.090) 1.643 2.884 ( -2.008 -1.223 4.159) 4.778 2.975 ( 0.005 0.987 -3.116) 3.268 3.068 ( -3.174 -0.570 -1.422) 3.524 3.102 ( -3.384 -2.906 0.874) 4.545 3.171 ( 0.972 0.290 -0.499) 1.130 3.207 ( -4.874 0.005 0.026) 4.874 3.265 ( 2.884 0.514 -1.514) 3.297 3.312 ( -0.543 5.311 1.349) 5.507 3.353 ( 1.669 -1.300 -0.827) 2.272 3.510 ( -0.228 4.896 -3.124) 5.812 3.620 ( -0.381 0.756 0.496) 0.981 3.700 ( 0.773 0.978 0.598) 1.382 3.801 ( -2.517 -0.170 -0.806) 2.648 3.929 ( 2.644 -1.978 -0.751) 3.386 4.052 ( -1.129 -0.772 0.437) 1.436 4.111 ( 1.395 -1.356 0.295) 1.968 4.151 ( 1.892 -0.729 0.899) 2.218 4.178 ( 2.363 3.396 -1.762) 4.497 4.312 ( 0.509 -4.022 0.813) 4.135 4.373 ( 2.764 -2.394 1.625) 4.002 4.529 ( -4.412 -3.037 -0.059) 5.357 4.651 ( 1.585 -4.523 -1.846) 5.136 4.694 ( -6.759 -0.029 1.392) 6.901 4.764 ( -1.693 -2.474 1.220) 3.236 4.795 ( 4.143 -2.379 2.048) 5.198 4.995 ( 2.247 -4.378 -1.318) 5.095 5.155 ( -1.307 -1.726 -0.545) 2.233 5.164 ( -1.272 -1.511 1.477) 2.467 5.230 ( 0.503 0.273 0.175) 0.598 5.233 ( 0.866 -0.316 0.957) 1.329 5.375 ( -0.094 0.143 2.683) 2.689 5.451 ( 0.036 -0.935 0.658) 1.144 5.491 ( 1.605 -3.063 -2.902) 4.515 5.519 ( 0.498 -3.990 -1.093) 4.167 8.128 ( -3.090 -0.007 1.631) 3.494 8.189 ( -0.975 -3.007 -2.472) 4.013 8.335 ( 1.286 -1.505 1.964) 2.788 8.438 ( 3.886 -3.296 -2.767) 5.798 8.813 ( 1.696 -4.367 1.646) 4.965 8.878 ( 4.786 -4.121 -1.925) 6.603 9.021 ( -3.056 -4.513 5.824) 7.977 9.077 ( -1.758 -5.969 -5.309) 8.179 9.760 ( -2.231 1.242 3.030) 3.963 9.892 ( 2.897 -2.512 3.071) 4.913 10.175 ( -5.818 5.456 -4.773) 9.295 10.258 ( -0.625 4.961 2.209) 5.467 10.406 ( 0.214 0.502 1.516) 1.612 10.501 ( 4.371 1.435 3.517) 5.791 10.532 ( -0.853 4.863 -0.746) 4.993 10.636 ( 1.791 2.105 0.726) 2.857 10.871 ( -1.705 2.885 -0.827) 3.451 10.941 ( 3.203 1.966 -2.561) 4.548 11.216 ( -3.412 -3.096 -3.511) 5.792 11.278 ( -0.356 -3.818 -0.496) 3.867 18.433 ( -0.784 1.882 1.881) 2.774 18.471 ( 0.758 1.502 -0.716) 1.828 18.639 ( -1.202 -0.730 3.299) 3.587 18.698 ( -0.185 -0.192 -6.872) 6.877 18.874 ( -3.380 0.418 -1.034) 3.559 19.012 ( -5.556 1.327 -3.454) 6.676 19.087 ( 7.125 2.771 2.748) 8.124 19.172 ( 1.835 2.379 0.963) 3.156 19.352 ( -3.372 -4.405 1.031) 5.643 19.558 ( 7.643 -7.981 7.155) 13.165 19.919 ( -5.389 2.599 -2.568) 6.510 20.045 ( 1.565 -0.958 0.033) 1.835 20.355 ( -0.980 0.296 0.617) 1.196 20.368 ( -0.828 -0.009 -0.560) 1.000 20.470 ( -0.175 1.364 -0.844) 1.614 20.562 ( 2.513 -0.570 -1.637) 3.052 ======================= Grid point 82 (45/52) ======================= q-point: (-0.60 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -4.559 6.718 4.914) 9.490 1.082 ( 1.260 8.246 -0.045) 8.342 1.152 ( 2.111 10.205 -1.394) 10.514 1.199 ( 0.953 11.150 -6.563) 12.973 1.347 ( 0.814 5.785 3.458) 6.789 1.402 ( -0.705 2.243 10.851) 11.103 1.433 ( -3.065 -0.307 3.820) 4.907 1.489 ( 3.452 2.802 7.034) 8.321 1.534 ( -3.829 8.922 0.788) 9.741 1.575 ( -0.445 0.850 -1.542) 1.817 1.656 ( 0.428 0.889 -5.369) 5.459 1.680 ( 3.439 -0.233 -0.499) 3.483 1.728 ( -2.314 3.221 -5.607) 6.868 1.767 ( 2.353 3.338 -0.914) 4.185 1.795 ( -0.439 -0.348 4.339) 4.375 1.872 ( 2.579 -0.920 0.562) 2.795 1.978 ( -0.808 -2.891 5.762) 6.497 2.052 ( 0.018 -1.124 -1.324) 1.737 2.095 ( 2.174 -0.298 -0.286) 2.213 2.141 ( 0.334 -2.552 -0.985) 2.756 2.193 ( -2.198 2.332 0.057) 3.205 2.207 ( 1.078 -2.197 -1.923) 3.113 2.233 ( 2.771 0.164 -5.195) 5.890 2.256 ( 0.548 -0.595 -3.306) 3.404 2.285 ( -2.721 0.100 -1.487) 3.103 2.348 ( 2.171 -1.279 1.472) 2.918 2.411 ( -2.662 1.300 -1.731) 3.431 2.458 ( -1.248 -0.017 0.330) 1.291 2.473 ( -0.946 0.981 -1.564) 2.074 2.536 ( -5.775 -0.449 1.971) 6.118 2.578 ( 3.996 -0.195 -0.579) 4.042 2.639 ( -0.165 -0.986 1.762) 2.026 2.676 ( 1.939 -1.513 1.650) 2.961 2.704 ( 0.533 -0.986 0.683) 1.313 2.740 ( -2.601 3.822 -1.840) 4.975 2.763 ( -0.425 -2.694 -1.934) 3.343 2.836 ( 3.348 -0.028 0.163) 3.352 2.884 ( 1.502 0.905 2.995) 3.471 2.923 ( 1.599 -2.537 2.060) 3.638 2.959 ( -1.581 -0.636 -0.124) 1.708 2.986 ( -2.176 1.219 -2.554) 3.570 3.055 ( -1.469 0.485 2.005) 2.532 3.096 ( -4.239 2.689 -2.999) 5.848 3.164 ( -1.222 -3.552 -1.938) 4.227 3.283 ( 1.464 4.358 -0.664) 4.644 3.349 ( -1.541 2.264 0.900) 2.883 3.380 ( 1.625 0.102 -3.281) 3.662 3.428 ( -1.408 1.062 -1.339) 2.215 3.671 ( 2.685 1.364 1.505) 3.366 3.706 ( -0.311 2.084 0.265) 2.124 3.792 ( 1.696 -0.727 1.136) 2.167 3.919 ( -1.528 -0.704 -3.599) 3.973 4.069 ( 0.440 -1.888 3.575) 4.067 4.137 ( 1.270 -0.495 -0.157) 1.372 4.191 ( 0.829 -1.398 1.413) 2.153 4.202 ( 1.598 1.924 -1.023) 2.703 4.339 ( 1.301 -3.789 1.217) 4.187 4.427 ( 0.406 -0.943 -0.002) 1.027 4.465 ( -1.372 -2.995 2.057) 3.884 4.583 ( -4.515 -3.954 -0.584) 6.030 4.674 ( 1.191 -0.081 -0.028) 1.194 4.733 ( -1.923 0.348 -0.713) 2.080 4.891 ( 4.404 -3.613 1.003) 5.784 4.972 ( -3.002 -3.201 -0.605) 4.430 5.143 ( -0.577 -3.361 0.872) 3.520 5.157 ( 0.321 -2.995 0.352) 3.033 5.241 ( 0.243 -0.096 0.710) 0.757 5.248 ( -0.145 0.990 0.939) 1.373 5.404 ( 0.631 0.215 2.555) 2.640 5.454 ( 0.216 -0.349 -0.062) 0.415 5.504 ( 0.430 -3.404 -1.400) 3.705 5.511 ( 0.790 -4.043 -2.147) 4.645 8.090 ( -2.250 -0.765 2.359) 3.348 8.152 ( -0.212 -3.585 -3.126) 4.761 8.382 ( 1.393 -1.042 2.263) 2.854 8.467 ( 1.462 -2.731 -3.379) 4.585 8.868 ( 1.745 -5.222 2.889) 6.218 8.960 ( 3.954 -5.410 -1.236) 6.814 8.984 ( -3.657 -4.808 1.421) 6.205 9.017 ( -0.310 -5.834 -1.934) 6.154 9.780 ( 1.079 2.648 4.615) 5.429 9.940 ( -1.079 0.194 0.642) 1.270 10.060 ( -1.614 1.117 -1.011) 2.208 10.209 ( -3.271 0.255 -3.359) 4.695 10.465 ( 2.086 3.719 4.807) 6.425 10.514 ( 0.465 6.244 0.185) 6.264 10.650 ( 0.115 5.762 3.472) 6.728 10.662 ( 5.809 -0.632 5.966) 8.351 10.792 ( -2.541 4.547 -5.906) 7.875 10.983 ( -0.005 -0.641 -4.104) 4.154 11.133 ( -0.433 -1.817 -2.603) 3.203 11.233 ( -2.969 -3.026 -2.559) 4.952 18.432 ( -0.941 2.156 2.278) 3.275 18.477 ( 0.519 1.461 -0.936) 1.811 18.624 ( -2.040 -1.109 1.196) 2.612 18.659 ( 0.946 -0.828 -4.366) 4.544 18.833 ( -0.294 -0.012 -1.154) 1.191 18.900 ( -3.450 0.299 -3.485) 4.913 19.176 ( 1.649 2.583 0.063) 3.066 19.204 ( 0.121 3.848 0.201) 3.855 19.404 ( 5.460 -0.740 9.114) 10.650 19.757 ( 3.874 -3.707 7.153) 8.940 19.775 ( -4.653 -1.114 -2.766) 5.526 20.040 ( -0.727 -3.503 -3.316) 4.878 20.342 ( -0.708 0.556 0.555) 1.058 20.358 ( 0.077 0.018 -0.509) 0.515 20.476 ( 1.252 0.780 -0.447) 1.541 20.556 ( -1.092 -1.114 -3.295) 3.645 ======================= Grid point 83 (46/52) ======================= q-point: (-0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -6.511 11.652 7.409) 15.266 1.080 ( -2.421 10.708 1.924) 11.146 1.185 ( 2.014 10.257 -3.014) 10.879 1.195 ( 4.379 9.354 -6.307) 12.102 1.348 ( -5.699 0.700 7.269) 9.263 1.392 ( -5.275 2.131 5.805) 8.128 1.485 ( 7.003 6.278 5.353) 10.821 1.531 ( 0.383 4.299 0.410) 4.336 1.559 ( -1.132 3.462 -2.359) 4.340 1.579 ( 1.636 2.459 -0.063) 2.954 1.635 ( 0.720 1.576 -1.464) 2.268 1.652 ( 0.150 2.798 -2.278) 3.611 1.701 ( 0.110 5.708 0.475) 5.729 1.744 ( -0.302 3.986 -5.102) 6.481 1.828 ( -0.901 -2.363 1.945) 3.191 1.923 ( 1.298 -0.372 -3.142) 3.420 2.026 ( -4.017 -2.151 0.271) 4.565 2.053 ( -1.114 -2.073 4.306) 4.907 2.058 ( 1.695 -1.842 6.925) 7.364 2.122 ( -4.885 -2.483 -0.596) 5.512 2.145 ( -1.794 -2.614 -2.708) 4.169 2.169 ( -2.424 -1.528 0.055) 2.865 2.205 ( -1.628 1.443 -0.735) 2.296 2.217 ( 1.221 -0.158 -2.680) 2.949 2.285 ( -0.676 0.765 1.773) 2.046 2.401 ( 1.863 -0.494 -3.307) 3.828 2.429 ( 4.181 0.550 -0.972) 4.328 2.439 ( -2.355 -1.452 0.378) 2.792 2.466 ( 3.448 0.786 -1.069) 3.694 2.540 ( 3.155 2.569 2.603) 4.830 2.614 ( -0.549 -2.115 -1.973) 2.944 2.640 ( 0.047 -4.492 -2.508) 5.144 2.675 ( 0.246 0.490 0.927) 1.077 2.711 ( -0.247 -4.404 0.657) 4.460 2.722 ( 1.698 0.768 0.012) 1.863 2.765 ( 2.888 -1.010 -1.989) 3.649 2.865 ( -4.462 0.515 -0.422) 4.511 2.917 ( 0.191 1.423 1.167) 1.850 2.920 ( 3.657 0.471 0.561) 3.730 2.969 ( -0.552 1.180 -3.905) 4.117 3.009 ( 4.247 0.975 3.110) 5.353 3.016 ( 0.886 -3.106 -1.782) 3.689 3.081 ( -0.710 1.989 2.131) 3.000 3.134 ( 1.658 1.725 -1.892) 3.050 3.259 ( -3.649 3.862 1.405) 5.496 3.353 ( 4.213 3.013 -0.421) 5.196 3.382 ( -0.879 0.201 0.804) 1.208 3.415 ( -0.032 -2.698 -3.364) 4.312 3.685 ( -1.719 2.054 0.272) 2.692 3.713 ( 1.061 2.658 -0.245) 2.873 3.843 ( -2.475 -1.290 -3.524) 4.495 3.867 ( 3.377 0.451 1.248) 3.628 4.088 ( -1.651 -1.347 3.248) 3.884 4.145 ( 0.361 0.608 -1.387) 1.557 4.188 ( -1.277 -2.435 -0.160) 2.755 4.213 ( -0.067 -0.493 -1.269) 1.363 4.366 ( -1.831 -1.932 0.427) 2.695 4.403 ( 2.118 -2.403 0.352) 3.223 4.508 ( -2.062 -2.996 -0.004) 3.637 4.520 ( 1.181 -2.659 3.643) 4.662 4.690 ( -0.659 1.019 0.436) 1.289 4.706 ( 0.624 0.722 0.328) 1.009 4.894 ( -4.710 -3.107 0.454) 5.661 4.965 ( 2.595 -3.741 0.149) 4.556 5.126 ( -1.183 -3.066 1.355) 3.554 5.189 ( 2.091 -4.441 -1.659) 5.182 5.245 ( -0.625 1.119 0.474) 1.366 5.258 ( 1.470 0.138 0.116) 1.481 5.415 ( -1.266 0.562 1.747) 2.229 5.449 ( -1.677 -1.215 1.393) 2.496 5.487 ( 0.550 -2.742 -2.515) 3.761 5.521 ( 1.113 -4.706 -1.631) 5.104 8.087 ( -0.180 -1.331 2.769) 3.077 8.146 ( 2.112 -3.042 -2.774) 4.627 8.401 ( -1.599 -0.872 2.283) 2.920 8.446 ( -0.523 -2.384 -3.268) 4.079 8.882 ( -3.924 -3.640 4.063) 6.720 8.925 ( -2.448 -5.539 -2.199) 6.443 8.956 ( -0.534 -7.041 2.296) 7.425 9.086 ( 6.826 -6.512 -4.802) 10.586 9.826 ( -1.999 2.890 3.476) 4.942 9.912 ( 3.479 2.629 -2.020) 4.805 10.081 ( -3.545 -2.299 3.231) 5.319 10.128 ( 0.366 -2.201 -0.161) 2.237 10.513 ( 0.280 6.120 1.117) 6.228 10.519 ( -0.603 5.807 -0.665) 5.876 10.663 ( -0.242 5.464 5.309) 7.622 10.722 ( -0.800 5.655 -3.745) 6.830 10.841 ( 0.431 -0.914 -0.922) 1.368 10.862 ( 1.429 1.208 -2.360) 3.012 11.151 ( -2.918 -1.968 -3.011) 4.632 11.185 ( 3.800 -3.415 1.665) 5.373 18.433 ( -1.043 2.128 2.736) 3.620 18.476 ( 0.093 1.354 -0.963) 1.664 18.591 ( -1.626 -1.122 0.449) 2.026 18.685 ( 4.602 -1.844 -3.189) 5.895 18.830 ( -0.983 0.631 -0.014) 1.168 18.858 ( 1.828 0.021 -0.328) 1.858 19.180 ( -1.936 2.669 -0.440) 3.326 19.200 ( 0.686 3.256 0.475) 3.361 19.585 ( -5.879 0.294 -7.343) 9.411 19.612 ( 7.244 4.510 7.896) 11.626 19.876 ( -3.481 -6.758 5.611) 9.449 20.000 ( 2.363 -5.832 -4.435) 7.698 20.341 ( 0.005 0.656 0.937) 1.143 20.357 ( 0.415 0.355 -0.867) 1.025 20.487 ( -2.377 -0.214 -1.062) 2.612 20.510 ( 0.743 -0.638 0.245) 1.010 ======================= Grid point 84 (47/52) ======================= q-point: (-0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -5.380 9.891 6.153) 12.831 1.071 ( -2.183 9.882 8.627) 13.298 1.200 ( 2.917 8.122 -1.992) 8.857 1.245 ( 3.674 5.438 -2.650) 7.078 1.296 ( -5.821 -0.946 3.742) 6.985 1.332 ( -4.817 10.739 2.616) 12.057 1.472 ( -4.079 5.878 -1.442) 7.298 1.500 ( -2.744 4.302 -2.694) 5.769 1.564 ( -0.080 2.092 -1.387) 2.511 1.618 ( -2.420 -2.334 -4.220) 5.396 1.654 ( 1.387 2.933 -3.074) 4.469 1.671 ( 3.868 0.812 0.585) 3.995 1.731 ( 3.273 3.890 1.212) 5.227 1.741 ( 2.924 8.006 3.563) 9.238 1.812 ( 1.757 -0.187 -1.309) 2.199 1.911 ( -2.954 2.173 0.089) 3.669 1.963 ( -3.348 -0.928 5.182) 6.239 2.022 ( 2.432 -3.185 -2.233) 4.588 2.068 ( -1.697 0.964 -3.122) 3.682 2.085 ( -2.057 -1.464 0.135) 2.529 2.130 ( -1.479 -1.114 0.060) 1.852 2.172 ( 1.024 -0.255 0.937) 1.412 2.218 ( 1.337 -2.397 6.844) 7.374 2.246 ( 2.851 0.394 -2.382) 3.735 2.296 ( 0.992 1.361 1.441) 2.216 2.336 ( 0.029 -3.095 -2.427) 3.933 2.412 ( -3.003 2.655 2.390) 4.666 2.480 ( 1.240 -1.210 1.043) 2.022 2.522 ( -2.354 0.319 -3.385) 4.135 2.567 ( 1.997 0.070 -1.351) 2.412 2.589 ( -0.409 0.032 -0.909) 0.997 2.668 ( 3.473 2.111 2.515) 4.779 2.683 ( -0.746 -6.070 -0.625) 6.147 2.722 ( 1.269 -2.454 -0.971) 2.928 2.738 ( -0.243 -1.426 -1.058) 1.792 2.787 ( -0.571 2.950 -3.117) 4.330 2.827 ( 2.457 2.105 0.352) 3.255 2.904 ( -0.899 -1.876 -1.574) 2.609 2.915 ( -1.284 -1.547 -0.990) 2.241 2.979 ( -0.798 -0.048 -3.247) 3.344 3.028 ( 3.976 -1.850 2.464) 5.030 3.108 ( 2.201 -0.578 0.516) 2.333 3.120 ( 0.567 -1.308 3.656) 3.924 3.191 ( 6.496 4.942 0.290) 8.168 3.227 ( -1.583 1.537 2.268) 3.164 3.349 ( -0.281 4.161 -2.241) 4.735 3.378 ( -0.822 -5.484 -3.617) 6.621 3.453 ( 2.878 4.854 2.694) 6.253 3.646 ( -1.349 1.571 -1.051) 2.322 3.716 ( -0.206 2.925 -1.461) 3.276 3.796 ( 0.697 -1.037 -0.666) 1.416 3.916 ( 0.253 0.211 0.267) 0.424 4.059 ( -2.166 -1.525 1.131) 2.880 4.131 ( -0.690 1.084 -1.156) 1.728 4.164 ( -0.745 -1.362 -1.036) 1.866 4.179 ( -2.096 -0.923 -1.889) 2.969 4.326 ( -1.429 -2.411 -0.305) 2.819 4.405 ( -3.340 -2.116 -1.208) 4.134 4.515 ( 3.843 -2.992 1.155) 5.005 4.587 ( 0.899 -3.807 4.830) 6.215 4.716 ( 3.171 0.581 -0.772) 3.315 4.723 ( 0.446 -1.302 3.648) 3.899 4.821 ( -2.968 -2.186 0.192) 3.691 4.972 ( -2.633 -4.082 0.761) 4.917 5.139 ( 1.575 -1.508 0.873) 2.349 5.194 ( -0.012 -2.436 -1.147) 2.693 5.232 ( -0.942 -0.155 0.052) 0.956 5.266 ( -0.624 0.013 -1.837) 1.940 5.408 ( -1.232 -0.236 1.499) 1.955 5.420 ( -1.078 -1.737 0.903) 2.235 5.492 ( 1.662 -2.910 -2.503) 4.183 5.521 ( -0.121 -4.720 -1.101) 4.848 8.118 ( 1.298 -1.014 2.425) 2.931 8.182 ( 2.996 -2.096 -1.808) 4.079 8.364 ( -2.634 -1.431 0.806) 3.104 8.410 ( -1.509 -2.577 -1.777) 3.476 8.826 ( -3.362 -2.962 1.488) 4.722 8.864 ( -2.406 -4.905 -1.623) 5.699 8.982 ( 0.244 -6.520 3.871) 7.587 9.147 ( 3.982 -6.810 -6.274) 10.079 9.801 ( -0.315 0.957 -0.212) 1.030 9.935 ( -5.718 -2.600 -1.036) 6.366 10.048 ( 3.760 3.384 5.381) 7.385 10.210 ( 3.202 -0.349 5.529) 6.399 10.472 ( -2.432 5.969 -2.557) 6.934 10.520 ( 0.744 4.860 -0.129) 4.918 10.643 ( -5.397 1.311 -7.139) 9.045 10.691 ( -2.106 4.204 -5.801) 7.467 10.738 ( 1.705 6.465 6.365) 9.231 10.986 ( 2.055 -1.611 -0.487) 2.657 11.137 ( 3.464 -1.260 2.681) 4.558 11.255 ( 2.128 -4.406 1.519) 5.124 18.434 ( -0.932 1.812 2.447) 3.184 18.468 ( -0.141 1.243 -0.630) 1.401 18.586 ( 0.257 0.072 1.885) 1.904 18.744 ( 3.952 -3.382 -5.276) 7.409 18.840 ( 2.307 0.513 1.948) 3.063 18.935 ( 4.781 0.022 3.791) 6.102 19.114 ( -4.953 3.942 -1.252) 6.453 19.207 ( -0.277 4.222 -0.951) 4.337 19.427 ( -3.394 -3.452 -6.452) 8.066 19.708 ( -8.598 -4.101 -5.103) 10.807 19.831 ( 6.369 1.033 4.907) 8.106 20.038 ( 0.645 -3.489 0.680) 3.613 20.354 ( 0.546 0.501 0.749) 1.054 20.367 ( 1.267 0.341 -0.370) 1.364 20.452 ( -0.188 0.947 0.679) 1.180 20.524 ( -1.035 -0.771 1.926) 2.319 ======================= Grid point 85 (48/52) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -0.084 4.290 2.260) 4.849 1.101 ( -4.033 -3.056 -5.460) 7.444 1.216 ( -3.690 0.954 11.894) 12.490 1.240 ( -4.467 -1.791 7.790) 9.157 1.426 ( -4.121 5.925 2.592) 7.668 1.479 ( 3.405 7.021 -0.813) 7.845 1.494 ( -0.360 3.462 -0.765) 3.564 1.509 ( -0.257 2.231 -1.806) 2.882 1.537 ( -1.462 0.428 2.811) 3.197 1.626 ( 1.874 -3.917 -1.949) 4.760 1.694 ( 0.421 3.101 -2.825) 4.216 1.725 ( -0.577 0.150 -3.937) 3.982 1.760 ( -1.969 4.210 3.425) 5.773 1.865 ( -4.790 -2.644 -1.190) 5.599 1.900 ( 3.351 3.114 -3.524) 5.774 1.934 ( 0.952 1.839 -5.383) 5.768 1.986 ( -2.219 2.198 2.122) 3.776 2.009 ( 3.263 0.143 -3.111) 4.511 2.044 ( -1.227 1.125 2.517) 3.018 2.066 ( 2.546 -2.430 1.417) 3.794 2.132 ( 3.575 -2.235 -1.325) 4.420 2.171 ( 3.038 -5.115 -2.635) 6.506 2.215 ( 5.109 2.907 5.212) 7.856 2.286 ( 1.276 0.630 2.348) 2.745 2.321 ( -2.111 -0.472 -0.329) 2.188 2.373 ( -0.029 1.662 -0.754) 1.826 2.392 ( 1.690 -1.504 -2.202) 3.157 2.418 ( 0.585 -3.188 -2.574) 4.139 2.506 ( -2.318 0.006 0.496) 2.370 2.538 ( 1.823 0.619 -0.807) 2.087 2.582 ( -0.485 -4.471 -1.336) 4.691 2.590 ( 0.530 -2.836 -0.879) 3.016 2.666 ( -3.014 -2.060 0.296) 3.663 2.677 ( 0.303 -1.952 1.941) 2.769 2.692 ( -1.715 1.349 -0.926) 2.371 2.749 ( -1.330 -1.695 -1.842) 2.835 2.892 ( 1.198 3.644 1.506) 4.121 2.902 ( -1.300 2.084 0.843) 2.597 2.965 ( 1.127 3.963 -0.982) 4.236 2.984 ( 1.822 1.370 -1.031) 2.502 3.022 ( -0.862 -2.426 0.926) 2.736 3.062 ( 1.448 -3.693 -1.910) 4.403 3.152 ( 0.086 -0.282 2.722) 2.738 3.194 ( -2.239 -3.550 -1.328) 4.402 3.310 ( -0.631 4.696 2.426) 5.324 3.352 ( 1.727 2.456 -1.303) 3.273 3.477 ( -0.489 2.988 2.147) 3.712 3.534 ( 1.135 -0.600 -3.433) 3.666 3.715 ( 1.876 4.065 1.637) 4.767 3.747 ( -1.511 2.752 -1.496) 3.478 3.815 ( 1.210 -1.226 2.493) 3.030 3.852 ( -3.574 -2.350 -0.987) 4.390 4.058 ( 0.334 1.557 2.370) 2.855 4.111 ( -0.582 -2.733 1.986) 3.428 4.132 ( -0.742 2.219 -4.026) 4.657 4.172 ( 1.689 -0.570 -3.177) 3.643 4.323 ( 1.117 3.849 0.383) 4.026 4.343 ( -1.523 3.826 -1.876) 4.525 4.483 ( -1.279 -6.192 1.977) 6.625 4.503 ( 2.414 -5.516 -0.465) 6.039 4.709 ( -1.848 -0.437 3.214) 3.733 4.725 ( -0.540 -1.894 2.322) 3.045 4.797 ( -1.729 -0.179 -0.496) 1.808 4.831 ( 2.182 -3.602 -2.629) 4.964 5.160 ( 0.234 -0.052 0.637) 0.681 5.169 ( 0.844 -0.430 -0.073) 0.950 5.211 ( -0.562 0.458 -0.103) 0.732 5.225 ( -0.821 -0.649 -1.209) 1.599 5.375 ( -1.441 1.084 2.473) 3.060 5.415 ( 0.895 -0.388 0.064) 0.978 5.425 ( 0.157 -3.083 -0.583) 3.142 5.443 ( 0.390 -2.595 -0.901) 2.775 8.161 ( 0.675 0.601 0.831) 1.228 8.177 ( 0.286 -0.874 -0.660) 1.132 8.305 ( -1.415 -0.906 0.071) 1.682 8.317 ( 0.955 -2.193 -1.111) 2.638 8.758 ( -0.848 -0.358 0.428) 1.015 8.775 ( 0.518 -1.840 -0.968) 2.143 8.967 ( 0.507 0.782 2.391) 2.566 9.025 ( 0.705 -4.356 -3.290) 5.504 9.807 ( -2.864 -0.131 1.488) 3.230 9.810 ( -0.354 -0.373 1.290) 1.389 10.250 ( 3.320 2.923 9.294) 10.293 10.299 ( 2.850 -1.544 8.192) 8.810 10.462 ( -3.485 1.968 -8.222) 9.145 10.492 ( -3.637 -0.495 -8.715) 9.456 10.615 ( 0.976 2.112 -0.513) 2.383 10.643 ( -1.661 -0.396 -3.342) 3.753 10.966 ( 1.065 7.648 3.919) 8.659 11.032 ( 1.537 3.930 -2.145) 4.734 11.141 ( 0.997 -5.616 1.403) 5.874 11.161 ( 0.590 -5.468 -0.006) 5.500 18.467 ( -0.830 1.467 2.330) 2.875 18.486 ( -0.239 0.002 1.473) 1.492 18.622 ( 0.950 1.410 -0.867) 1.908 18.681 ( 2.267 -3.697 -5.402) 6.927 18.968 ( 4.240 1.962 4.764) 6.673 18.996 ( 0.014 -0.565 3.163) 3.213 19.159 ( 1.027 5.201 -0.718) 5.350 19.225 ( -6.561 3.817 -7.014) 10.335 19.284 ( 2.042 -4.172 2.674) 5.360 19.367 ( -6.415 -6.481 -5.840) 10.829 19.996 ( 1.680 1.328 2.278) 3.126 20.016 ( 0.614 -0.590 0.127) 0.861 20.373 ( -0.326 0.338 0.360) 0.592 20.378 ( -0.006 -0.158 -0.166) 0.229 20.499 ( 0.448 0.369 1.120) 1.261 20.506 ( 1.319 -0.281 0.517) 1.445 ======================= Grid point 86 (49/52) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 4.416 3.069 0.822) 5.440 1.129 ( 3.910 -1.595 6.568) 7.808 1.220 ( 0.303 2.799 8.111) 8.586 1.288 ( -0.985 -3.858 10.904) 11.608 1.365 ( -4.352 6.307 6.356) 9.956 1.454 ( -1.087 0.040 1.625) 1.956 1.492 ( 1.375 5.984 -1.836) 6.408 1.534 ( 1.182 6.152 -1.273) 6.393 1.589 ( 0.621 1.900 0.467) 2.053 1.608 ( -1.071 -1.570 -2.492) 3.134 1.679 ( -1.034 0.763 -4.017) 4.217 1.690 ( 1.549 0.158 1.930) 2.479 1.757 ( -3.111 3.965 2.589) 5.666 1.829 ( -0.210 -0.986 1.090) 1.485 1.865 ( -0.380 0.466 -2.986) 3.046 1.894 ( -3.222 -1.349 1.562) 3.826 2.013 ( 1.638 3.342 -1.811) 4.139 2.036 ( 1.731 3.591 -2.465) 4.686 2.055 ( 2.089 1.035 -0.622) 2.413 2.088 ( 0.287 -1.477 -2.430) 2.858 2.118 ( -0.910 -3.978 -3.961) 5.687 2.190 ( 0.693 -6.232 -4.654) 7.809 2.250 ( 1.020 1.659 -5.480) 5.816 2.291 ( -0.923 -0.318 -1.467) 1.762 2.338 ( 0.781 0.787 3.485) 3.657 2.355 ( -0.604 0.565 -2.017) 2.180 2.394 ( -0.679 0.588 -4.019) 4.118 2.433 ( 2.672 -2.533 -0.005) 3.682 2.499 ( 1.840 -0.276 1.338) 2.291 2.540 ( -1.324 -3.277 -1.723) 3.932 2.553 ( -2.142 -3.815 0.375) 4.391 2.563 ( -1.949 -3.336 0.677) 3.922 2.641 ( -1.225 2.107 2.958) 3.833 2.684 ( -1.552 -1.130 3.225) 3.753 2.706 ( 2.465 0.754 1.361) 2.915 2.765 ( 3.931 -3.582 -0.428) 5.335 2.847 ( -4.692 2.015 0.379) 5.120 2.876 ( -3.341 1.387 -1.130) 3.790 2.937 ( -0.675 2.869 -1.771) 3.439 2.997 ( -2.096 -3.894 0.142) 4.425 3.013 ( 0.786 3.359 -2.630) 4.338 3.068 ( 0.881 -1.400 -1.230) 2.062 3.117 ( -3.271 1.009 1.511) 3.742 3.207 ( 0.893 -4.938 2.220) 5.487 3.340 ( 2.252 6.178 0.728) 6.616 3.386 ( 2.694 1.777 -2.330) 3.980 3.444 ( -1.729 5.940 -0.831) 6.242 3.550 ( 0.918 -2.748 -1.969) 3.503 3.677 ( -2.977 4.659 0.269) 5.535 3.739 ( -0.380 0.630 -0.385) 0.831 3.805 ( -1.378 1.814 2.256) 3.206 3.878 ( 2.215 -3.379 2.616) 4.813 4.085 ( -0.425 3.314 -1.238) 3.563 4.101 ( 1.057 0.775 1.084) 1.700 4.134 ( 1.171 -0.985 2.487) 2.920 4.192 ( 2.525 -4.681 -3.082) 6.147 4.311 ( -0.790 5.647 -1.531) 5.904 4.351 ( 1.198 0.873 1.793) 2.326 4.450 ( -2.074 -3.189 0.404) 3.825 4.527 ( -0.823 -7.099 -1.493) 7.301 4.687 ( -2.519 0.073 2.293) 3.408 4.716 ( 0.823 -2.378 2.530) 3.568 4.798 ( 1.811 2.764 -0.219) 3.312 4.886 ( 2.755 -5.299 -0.836) 6.031 5.133 ( -2.521 -0.217 -0.556) 2.591 5.139 ( -2.481 -0.780 -0.295) 2.618 5.221 ( 0.867 0.652 0.571) 1.226 5.244 ( 1.596 -0.697 0.305) 1.768 5.380 ( 0.029 0.954 2.160) 2.361 5.426 ( 0.130 -2.667 0.472) 2.712 5.436 ( 1.684 -0.798 -1.209) 2.222 5.443 ( 0.510 -2.140 -1.256) 2.533 8.127 ( -3.148 0.104 -0.043) 3.150 8.141 ( -2.758 -1.438 -1.217) 3.340 8.328 ( 2.947 0.909 0.747) 3.173 8.369 ( 3.759 -2.900 -0.480) 4.772 8.768 ( 1.245 -0.070 1.021) 1.612 8.801 ( 2.533 -2.978 -0.163) 3.913 8.970 ( -1.543 -0.506 0.789) 1.805 8.990 ( -1.496 -2.441 -3.573) 4.578 9.795 ( -0.151 2.035 3.039) 3.661 9.841 ( 1.660 -2.311 3.075) 4.189 10.263 ( -6.036 3.164 -4.820) 8.347 10.307 ( -4.495 -0.515 -2.823) 5.332 10.425 ( 3.095 2.133 5.351) 6.539 10.479 ( 4.698 -2.493 4.055) 6.688 10.613 ( 0.384 2.911 -0.682) 3.015 10.653 ( 2.120 -0.808 1.321) 2.626 10.978 ( -1.599 6.357 -0.509) 6.575 11.030 ( 1.159 5.220 -3.691) 6.498 11.124 ( -2.038 -5.023 -1.314) 5.577 11.173 ( 0.331 -5.869 -1.309) 6.022 18.468 ( -0.811 1.541 2.140) 2.759 18.491 ( -0.266 -0.129 0.964) 1.008 18.621 ( -0.093 0.653 -1.368) 1.519 18.667 ( 1.119 -2.780 -6.378) 7.047 18.930 ( -4.286 3.920 -2.287) 6.242 19.001 ( -4.076 -2.356 -3.691) 5.982 19.162 ( 2.935 4.162 1.618) 5.343 19.248 ( 3.737 -0.411 5.469) 6.637 19.269 ( -0.403 1.633 0.725) 1.832 19.400 ( 5.961 -7.139 8.146) 12.363 19.973 ( -3.212 2.444 -2.278) 4.634 20.017 ( -0.695 -1.705 -1.588) 2.432 20.360 ( -0.985 0.229 0.439) 1.103 20.365 ( -1.074 -0.223 0.083) 1.100 20.503 ( 0.507 1.709 -1.178) 2.137 20.538 ( 1.475 -1.556 -1.518) 2.627 ======================= Grid point 87 (50/52) ======================= q-point: (-0.60 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -0.810 6.430 7.614) 9.998 1.224 ( 5.524 4.029 4.741) 8.320 1.317 ( -1.939 0.455 5.550) 5.896 1.350 ( -0.551 -0.361 7.631) 7.660 1.372 ( 0.651 7.744 5.997) 9.816 1.481 ( 0.752 2.090 2.715) 3.508 1.496 ( -4.305 3.064 0.185) 5.287 1.546 ( 6.234 -2.156 3.985) 7.706 1.585 ( -0.680 4.653 0.203) 4.707 1.608 ( 2.771 3.159 -1.668) 4.521 1.647 ( 0.652 0.734 -3.602) 3.734 1.702 ( -0.313 -2.886 -2.062) 3.561 1.748 ( 0.550 2.033 -0.179) 2.114 1.794 ( -1.525 -1.349 -2.225) 3.016 1.855 ( 0.464 1.731 0.884) 1.998 1.903 ( 0.034 -2.810 6.622) 7.193 1.928 ( -4.079 4.895 -5.447) 8.383 2.028 ( -1.782 -1.468 -1.539) 2.774 2.057 ( 0.632 -3.046 -2.375) 3.913 2.090 ( -1.349 -1.033 -2.291) 2.852 2.143 ( 1.120 -4.599 -3.821) 6.083 2.150 ( 0.783 -2.723 -1.388) 3.155 2.219 ( -0.475 -0.093 -3.222) 3.259 2.255 ( 0.446 -2.580 -4.847) 5.509 2.324 ( -1.388 4.768 2.182) 5.424 2.358 ( 2.150 2.859 1.108) 3.745 2.415 ( 3.280 -1.755 -0.099) 3.721 2.448 ( -3.401 -3.188 -0.328) 4.673 2.477 ( -2.480 -0.137 -1.896) 3.124 2.487 ( 0.163 0.422 -0.636) 0.780 2.545 ( -0.920 -1.420 -0.073) 1.694 2.577 ( 3.671 -4.276 -0.490) 5.656 2.663 ( 0.403 -1.525 0.302) 1.606 2.670 ( -1.068 -1.843 -1.923) 2.870 2.730 ( -3.950 1.985 -1.867) 4.799 2.774 ( -4.913 -0.644 -1.328) 5.130 2.781 ( 3.032 0.181 2.701) 4.064 2.844 ( 1.450 -4.179 1.804) 4.777 2.922 ( -0.974 -0.432 -1.924) 2.200 2.939 ( -1.318 -1.966 -2.864) 3.715 3.034 ( 3.263 5.183 1.394) 6.281 3.088 ( -0.497 0.553 3.513) 3.591 3.115 ( 2.083 2.165 0.494) 3.044 3.207 ( -1.429 -1.512 -0.637) 2.175 3.346 ( -1.170 3.166 -1.320) 3.624 3.371 ( -0.572 2.032 -2.703) 3.430 3.459 ( 2.611 3.758 -3.244) 5.609 3.486 ( -4.438 2.360 -2.836) 5.772 3.704 ( 2.907 2.091 2.963) 4.648 3.739 ( 0.857 -0.166 0.584) 1.050 3.817 ( -0.233 3.960 4.197) 5.775 3.912 ( -0.243 -2.703 1.211) 2.971 4.059 ( -0.739 2.925 -0.462) 3.052 4.135 ( 0.914 -0.553 -0.232) 1.093 4.173 ( 0.566 -0.296 2.047) 2.144 4.222 ( 2.867 -5.147 -1.072) 5.988 4.288 ( -0.920 4.185 0.772) 4.354 4.384 ( -0.868 -4.381 1.048) 4.587 4.419 ( 0.150 0.644 -0.163) 0.682 4.478 ( -2.425 -4.860 0.213) 5.436 4.702 ( 1.397 2.410 1.808) 3.320 4.748 ( 0.325 -0.367 0.298) 0.574 4.834 ( 2.024 -0.182 0.801) 2.185 4.894 ( -1.074 -4.096 -0.844) 4.318 5.093 ( -1.399 -1.084 -0.058) 1.771 5.101 ( -0.820 -1.783 -0.551) 2.038 5.235 ( 0.218 0.505 0.758) 0.936 5.259 ( 0.199 -0.929 -0.402) 1.032 5.399 ( 0.290 -0.013 1.687) 1.712 5.431 ( -0.181 -2.711 0.254) 2.729 5.446 ( 0.872 -0.495 -1.124) 1.507 5.454 ( 0.865 -1.024 -0.868) 1.596 8.078 ( -1.812 -0.125 0.213) 1.829 8.094 ( -0.983 -1.735 -1.394) 2.433 8.384 ( 1.937 1.042 1.028) 2.428 8.417 ( 1.580 -2.026 -0.746) 2.675 8.808 ( 1.566 -0.289 2.068) 2.610 8.851 ( 1.613 -4.145 1.857) 4.820 8.923 ( -1.807 -0.866 -3.844) 4.335 8.940 ( -1.142 -2.253 -2.074) 3.268 9.842 ( 1.831 3.142 4.818) 6.036 9.905 ( 1.830 -2.724 4.517) 5.583 10.111 ( -5.282 3.113 -5.354) 8.139 10.176 ( -5.418 -2.790 -5.343) 8.105 10.542 ( 3.615 3.541 6.016) 7.861 10.603 ( 4.168 -1.146 2.025) 4.773 10.645 ( 2.189 3.015 5.038) 6.266 10.707 ( 2.059 -0.991 3.378) 4.078 10.917 ( -2.659 6.045 -3.897) 7.668 10.991 ( -1.938 0.348 -7.161) 7.427 11.088 ( -0.047 -0.998 -0.336) 1.054 11.147 ( -1.308 -4.685 -2.509) 5.473 18.468 ( -1.013 1.310 2.240) 2.785 18.489 ( -0.763 -0.482 1.136) 1.451 18.604 ( -0.007 0.661 -2.424) 2.512 18.639 ( 1.322 -1.915 -6.102) 6.531 18.862 ( -1.490 2.304 -1.070) 2.945 18.898 ( -3.157 -0.789 -2.871) 4.339 19.213 ( 1.563 1.283 0.401) 2.062 19.238 ( -0.920 -0.681 -0.005) 1.144 19.452 ( 7.700 5.408 11.556) 14.903 19.593 ( 5.919 -7.560 11.818) 15.227 19.862 ( -5.214 4.744 -6.257) 9.426 19.958 ( -2.789 -4.327 -5.536) 7.560 20.351 ( -0.405 0.306 0.558) 0.754 20.356 ( -0.062 -0.170 0.246) 0.305 20.498 ( 0.217 1.305 -1.592) 2.070 20.528 ( -0.726 -1.472 -2.635) 3.104 ======================= Grid point 88 (51/52) ======================= q-point: (-0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -4.497 8.324 5.961) 11.182 1.279 ( -2.218 9.128 2.100) 9.626 1.302 ( -4.901 -3.077 8.054) 9.917 1.358 ( 1.586 4.538 -1.914) 5.174 1.388 ( -4.842 4.697 4.296) 7.998 1.430 ( -3.214 0.435 6.759) 7.497 1.541 ( -0.707 1.877 -3.003) 3.612 1.604 ( 6.640 4.473 -0.795) 8.046 1.614 ( -1.360 0.039 2.963) 3.260 1.654 ( 2.186 2.989 0.719) 3.772 1.663 ( 1.698 0.643 -3.106) 3.598 1.674 ( -0.895 1.818 -4.409) 4.853 1.733 ( -0.980 -1.236 -3.026) 3.412 1.812 ( 6.135 -7.449 -2.913) 10.080 1.866 ( 1.447 1.650 -1.115) 2.462 1.872 ( 1.046 4.477 -0.101) 4.599 1.973 ( 1.880 -3.402 5.751) 6.941 2.005 ( -1.479 -0.862 0.284) 1.735 2.029 ( 1.071 0.416 2.575) 2.820 2.068 ( -0.556 -2.392 -3.888) 4.599 2.093 ( -4.431 -1.512 0.258) 4.689 2.114 ( -2.484 -3.017 0.322) 3.921 2.179 ( -2.466 0.119 -1.167) 2.731 2.234 ( 0.018 -2.208 -3.170) 3.863 2.339 ( -0.038 2.969 0.985) 3.129 2.377 ( -2.407 -0.942 -3.894) 4.674 2.417 ( -1.990 -0.894 2.531) 3.342 2.426 ( 3.568 -1.276 -0.089) 3.790 2.484 ( 3.531 2.236 -0.765) 4.249 2.543 ( 3.032 -2.184 -2.333) 4.405 2.547 ( 0.040 -0.731 0.425) 0.847 2.600 ( -0.277 -1.742 -0.431) 1.816 2.610 ( 1.433 -1.621 -2.569) 3.359 2.638 ( 2.054 -4.813 -2.100) 5.638 2.727 ( 0.409 1.328 0.245) 1.411 2.751 ( 2.666 -0.838 1.460) 3.153 2.832 ( -1.644 -0.250 1.393) 2.169 2.863 ( -0.563 -2.508 2.721) 3.743 2.889 ( 2.037 -0.578 -2.354) 3.166 2.929 ( 2.214 -3.863 -3.609) 5.731 3.069 ( -2.744 4.829 -0.123) 5.555 3.128 ( 1.570 4.009 -1.029) 4.427 3.131 ( -0.331 0.990 2.323) 2.546 3.182 ( 1.589 1.478 -1.483) 2.629 3.329 ( -0.768 -0.811 0.851) 1.404 3.352 ( 0.345 -1.264 -1.099) 1.710 3.406 ( -2.531 7.119 0.510) 7.572 3.474 ( 2.576 1.579 -1.660) 3.447 3.735 ( -1.881 2.522 -0.209) 3.153 3.755 ( 0.775 1.029 -0.396) 1.347 3.848 ( -1.124 2.374 2.852) 3.877 3.913 ( 1.459 0.339 -0.225) 1.515 4.054 ( -1.052 0.219 2.353) 2.587 4.125 ( 0.182 -3.361 -3.052) 4.544 4.190 ( -0.596 2.619 2.009) 3.354 4.227 ( -0.503 0.567 -3.284) 3.370 4.322 ( -0.272 -1.724 2.238) 2.838 4.344 ( 0.994 -3.024 1.079) 3.361 4.439 ( -1.586 -1.575 -0.222) 2.246 4.461 ( 1.416 -2.616 1.126) 3.181 4.723 ( -1.371 2.060 0.767) 2.591 4.739 ( -0.173 1.428 0.072) 1.440 4.841 ( -2.808 -1.259 0.420) 3.105 4.880 ( 0.970 -4.015 0.203) 4.136 5.084 ( 0.749 -0.456 0.315) 0.931 5.111 ( 1.996 -2.725 -1.046) 3.536 5.246 ( 0.363 -0.476 0.660) 0.891 5.254 ( -0.127 -0.502 -0.735) 0.899 5.408 ( -0.720 -0.512 1.384) 1.642 5.426 ( -0.567 -1.496 0.222) 1.615 5.442 ( -0.659 -0.686 -0.860) 1.282 5.452 ( -0.260 -1.429 -0.601) 1.572 8.072 ( 0.794 -0.018 0.619) 1.007 8.091 ( 1.665 -1.872 -0.966) 2.685 8.396 ( -1.655 0.371 0.599) 1.798 8.413 ( -1.084 -1.130 -0.980) 1.847 8.830 ( -2.406 -1.010 2.026) 3.304 8.850 ( -2.650 -2.900 1.365) 4.159 8.881 ( 1.267 1.138 -1.593) 2.332 8.957 ( 4.536 -5.453 -3.388) 7.860 9.893 ( -2.736 3.254 3.065) 5.241 9.942 ( 0.313 -0.541 0.877) 1.077 10.043 ( -1.892 -0.262 1.480) 2.416 10.075 ( 0.762 -2.505 0.661) 2.701 10.607 ( 0.623 3.791 0.423) 3.865 10.632 ( 0.416 2.811 -3.109) 4.212 10.728 ( 0.403 1.178 4.585) 4.751 10.773 ( 0.730 -2.066 -1.562) 2.691 10.861 ( -0.670 4.199 0.260) 4.260 10.900 ( 0.675 1.356 -3.993) 4.271 11.105 ( -1.009 -2.032 -1.929) 2.977 11.109 ( 1.461 -2.911 1.085) 3.433 18.466 ( -1.121 1.073 2.571) 3.004 18.482 ( -1.068 -0.468 1.731) 2.087 18.594 ( 1.121 1.366 -2.612) 3.153 18.637 ( 2.886 -2.460 -4.819) 6.132 18.851 ( -0.399 1.079 0.123) 1.158 18.862 ( 1.067 0.061 0.556) 1.205 19.219 ( -1.229 1.229 -0.173) 1.747 19.234 ( 0.676 0.052 0.340) 0.758 19.619 ( -4.038 3.522 1.612) 5.595 19.704 ( 2.402 -0.842 1.663) 3.040 19.769 ( -1.458 1.081 2.790) 3.328 19.878 ( 2.744 -5.927 -4.224) 7.779 20.353 ( 0.118 0.439 0.549) 0.713 20.359 ( 0.297 -0.115 -0.113) 0.337 20.489 ( -1.189 0.288 -0.693) 1.406 20.498 ( 0.004 -0.532 -0.212) 0.573 ======================= Grid point 89 (52/52) ======================= q-point: (-0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -7.205 8.673 0.662) 11.295 1.204 ( -4.108 2.997 1.577) 5.324 1.245 ( -7.444 -1.504 6.713) 10.136 1.334 ( -8.735 -1.118 3.857) 9.614 1.387 ( 3.294 5.610 -1.078) 6.594 1.432 ( 1.661 2.037 2.815) 3.852 1.531 ( -0.390 4.218 -0.250) 4.243 1.543 ( -4.231 -2.239 -0.714) 4.839 1.586 ( -2.026 3.157 -0.694) 3.815 1.611 ( -0.045 -2.646 -4.347) 5.089 1.684 ( 2.459 2.689 -3.528) 5.072 1.734 ( 2.829 -1.237 -3.664) 4.791 1.787 ( 4.627 6.936 1.422) 8.458 1.861 ( -2.666 5.507 -2.323) 6.544 1.916 ( 7.622 -0.944 -5.194) 9.272 1.934 ( 2.146 2.297 3.868) 4.984 1.971 ( -2.187 2.706 0.188) 3.484 1.994 ( -3.402 -1.729 3.786) 5.375 2.030 ( 0.481 -1.901 -0.961) 2.183 2.052 ( 0.849 -5.601 -2.140) 6.055 2.078 ( 2.072 2.191 1.252) 3.265 2.111 ( 1.554 -2.701 0.474) 3.152 2.162 ( -1.462 -4.465 5.484) 7.221 2.205 ( 1.157 -3.456 0.831) 3.738 2.325 ( 0.497 2.410 0.445) 2.501 2.367 ( 0.750 1.324 -0.457) 1.589 2.401 ( 1.296 1.546 -1.352) 2.428 2.463 ( -3.497 -1.399 -3.379) 5.061 2.504 ( 2.333 0.030 0.678) 2.430 2.535 ( 0.306 -4.152 -1.519) 4.432 2.569 ( 1.876 -2.333 -1.231) 3.237 2.612 ( -1.348 -2.485 -2.813) 3.988 2.633 ( 2.797 -0.610 1.868) 3.418 2.690 ( 1.304 -2.644 1.422) 3.273 2.750 ( -1.966 0.865 -0.609) 2.233 2.788 ( 1.610 -0.932 -0.398) 1.902 2.829 ( -0.188 1.440 -0.574) 1.562 2.864 ( 5.358 0.792 -0.997) 5.507 2.946 ( 2.306 -1.164 0.803) 2.705 2.951 ( 0.350 -0.485 1.482) 1.598 3.022 ( -0.034 1.804 -1.694) 2.474 3.077 ( -1.608 -2.675 -2.108) 3.766 3.145 ( -0.061 3.659 -0.879) 3.764 3.222 ( 0.381 -2.453 0.739) 2.590 3.319 ( -1.991 1.490 3.072) 3.953 3.345 ( -0.309 2.201 -0.296) 2.242 3.422 ( 3.175 6.435 0.864) 7.228 3.533 ( 2.768 -0.722 0.040) 2.861 3.692 ( -1.181 3.048 -0.934) 3.399 3.744 ( 0.350 -1.183 -1.218) 1.733 3.828 ( -1.980 4.538 0.849) 5.023 3.917 ( -2.071 -2.192 -0.266) 3.028 4.049 ( -0.549 1.547 1.064) 1.956 4.114 ( -0.992 -3.663 1.595) 4.116 4.175 ( -0.576 2.124 -2.961) 3.689 4.185 ( -0.996 1.069 -2.659) 3.034 4.307 ( 0.227 2.188 -0.128) 2.204 4.391 ( -1.816 -0.176 -2.051) 2.745 4.427 ( 3.103 -3.531 2.562) 5.353 4.493 ( 0.458 -5.019 1.901) 5.387 4.704 ( -0.395 0.268 0.893) 1.012 4.725 ( -1.431 -0.816 1.037) 1.947 4.805 ( -0.804 1.371 -0.715) 1.743 4.875 ( -1.978 -4.689 0.008) 5.089 5.123 ( 2.743 -0.005 0.456) 2.781 5.140 ( 1.639 -1.798 -0.475) 2.479 5.236 ( -0.901 0.366 -0.879) 1.311 5.253 ( -0.619 -1.167 -0.281) 1.350 5.396 ( -2.115 0.373 1.574) 2.663 5.407 ( -0.645 0.231 0.630) 0.931 5.430 ( -0.131 -2.448 -0.852) 2.595 5.443 ( 0.022 -2.688 -0.496) 2.733 8.112 ( 2.702 0.405 0.913) 2.880 8.136 ( 3.509 -1.878 -0.439) 4.004 8.346 ( -3.101 0.122 -0.561) 3.154 8.368 ( -3.168 -1.733 -0.589) 3.659 8.786 ( -2.332 -0.686 0.237) 2.442 8.801 ( -2.222 -1.896 -0.878) 3.050 8.924 ( 2.006 1.425 2.101) 3.236 9.010 ( 3.281 -5.887 -2.752) 7.280 9.833 ( -2.833 1.978 -0.046) 3.456 9.880 ( -5.018 -2.501 -0.382) 5.619 10.114 ( 4.395 2.942 7.082) 8.839 10.172 ( 3.889 -2.625 7.698) 9.015 10.571 ( -2.526 3.439 -5.633) 7.067 10.600 ( -0.307 1.604 -4.303) 4.602 10.661 ( -4.455 1.628 -6.622) 8.145 10.713 ( -2.192 -1.823 -4.497) 5.325 10.900 ( 2.189 7.423 4.820) 9.117 10.982 ( 3.759 0.164 2.966) 4.791 11.101 ( 1.485 -1.442 0.056) 2.070 11.143 ( 0.943 -5.294 1.620) 5.616 18.465 ( -1.007 1.146 2.549) 2.971 18.480 ( -0.625 -0.142 2.027) 2.126 18.605 ( 1.625 1.819 -1.622) 2.929 18.664 ( 3.409 -3.656 -4.521) 6.740 18.875 ( 2.284 2.378 2.515) 4.147 18.920 ( 3.216 -1.572 3.613) 5.086 19.188 ( -1.746 3.347 -0.934) 3.889 19.249 ( 0.781 -1.627 0.698) 1.935 19.430 ( -8.494 4.926 -9.180) 13.442 19.572 ( -9.057 -7.415 -7.574) 13.943 19.895 ( 5.978 3.705 5.226) 8.762 19.969 ( 3.559 -3.306 2.968) 5.693 20.363 ( 0.709 0.353 0.218) 0.822 20.369 ( 0.929 -0.116 -0.188) 0.955 20.475 ( -0.169 1.240 1.183) 1.722 20.502 ( -0.546 -1.229 1.694) 2.163 =================== 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 3/18900 10.0 38.475 40.709 51.557 0.000 1.632 0.000 3/18900 20.0 8.897 9.905 12.211 0.000 -0.210 0.000 3/18900 30.0 4.248 4.758 5.808 0.000 -0.109 0.000 3/18900 40.0 2.689 2.998 3.655 0.000 -0.066 0.000 3/18900 50.0 1.951 2.167 2.638 0.000 -0.046 0.000 3/18900 60.0 1.532 1.697 2.062 0.000 -0.035 0.000 3/18900 70.0 1.264 1.399 1.696 0.000 -0.027 0.000 3/18900 80.0 1.079 1.195 1.444 0.000 -0.023 0.000 3/18900 90.0 0.944 1.047 1.261 0.000 -0.019 0.000 3/18900 100.0 0.841 0.935 1.122 0.000 -0.016 0.000 3/18900 110.0 0.760 0.847 1.013 0.000 -0.014 0.000 3/18900 120.0 0.694 0.776 0.926 0.000 -0.012 0.000 3/18900 130.0 0.640 0.717 0.853 0.000 -0.010 0.000 3/18900 140.0 0.594 0.668 0.792 0.000 -0.009 0.000 3/18900 150.0 0.555 0.625 0.740 0.000 -0.007 0.000 3/18900 160.0 0.522 0.589 0.696 0.000 -0.006 0.000 3/18900 170.0 0.492 0.556 0.656 0.000 -0.005 0.000 3/18900 180.0 0.466 0.528 0.622 0.000 -0.004 0.000 3/18900 190.0 0.443 0.502 0.591 0.000 -0.003 0.000 3/18900 200.0 0.422 0.479 0.563 0.000 -0.002 0.000 3/18900 210.0 0.403 0.458 0.538 0.000 -0.002 0.000 3/18900 220.0 0.386 0.439 0.516 0.000 -0.001 0.000 3/18900 230.0 0.370 0.422 0.495 0.000 -0.001 0.000 3/18900 240.0 0.356 0.406 0.476 0.000 -0.000 0.000 3/18900 250.0 0.342 0.391 0.458 0.000 0.000 0.000 3/18900 260.0 0.330 0.377 0.442 0.000 0.001 0.000 3/18900 270.0 0.319 0.364 0.427 0.000 0.001 0.000 3/18900 280.0 0.308 0.352 0.413 0.000 0.001 0.000 3/18900 290.0 0.298 0.341 0.400 0.000 0.002 0.000 3/18900 300.0 0.289 0.331 0.388 0.000 0.002 0.000 3/18900 310.0 0.280 0.321 0.376 0.000 0.002 0.000 3/18900 320.0 0.272 0.312 0.365 0.000 0.002 0.000 3/18900 330.0 0.264 0.303 0.355 0.000 0.002 0.000 3/18900 340.0 0.257 0.295 0.345 0.000 0.003 0.000 3/18900 350.0 0.250 0.287 0.336 0.000 0.003 0.000 3/18900 360.0 0.244 0.280 0.328 0.000 0.003 0.000 3/18900 370.0 0.237 0.272 0.319 0.000 0.003 0.000 3/18900 380.0 0.232 0.266 0.312 0.000 0.003 0.000 3/18900 390.0 0.226 0.259 0.304 0.000 0.003 0.000 3/18900 400.0 0.221 0.253 0.297 0.000 0.003 0.000 3/18900 410.0 0.215 0.247 0.290 0.000 0.003 0.000 3/18900 420.0 0.211 0.242 0.284 0.000 0.003 0.000 3/18900 430.0 0.206 0.237 0.277 0.000 0.003 0.000 3/18900 440.0 0.202 0.232 0.272 0.000 0.003 0.000 3/18900 450.0 0.197 0.227 0.266 0.000 0.003 0.000 3/18900 460.0 0.193 0.222 0.260 0.000 0.003 0.000 3/18900 470.0 0.189 0.218 0.255 0.000 0.003 0.000 3/18900 480.0 0.186 0.213 0.250 0.000 0.003 0.000 3/18900 490.0 0.182 0.209 0.245 0.000 0.003 0.000 3/18900 500.0 0.178 0.205 0.241 0.000 0.003 0.000 3/18900 510.0 0.175 0.201 0.236 0.000 0.003 0.000 3/18900 520.0 0.172 0.198 0.232 0.000 0.003 0.000 3/18900 530.0 0.169 0.194 0.228 0.000 0.003 0.000 3/18900 540.0 0.166 0.191 0.224 0.000 0.003 0.000 3/18900 550.0 0.163 0.187 0.220 0.000 0.003 0.000 3/18900 560.0 0.160 0.184 0.216 0.000 0.003 0.000 3/18900 570.0 0.157 0.181 0.212 0.000 0.003 0.000 3/18900 580.0 0.155 0.178 0.209 0.000 0.003 0.000 3/18900 590.0 0.152 0.175 0.205 0.000 0.003 0.000 3/18900 600.0 0.150 0.172 0.202 0.000 0.003 0.000 3/18900 610.0 0.147 0.169 0.199 0.000 0.003 0.000 3/18900 620.0 0.145 0.167 0.196 0.000 0.003 0.000 3/18900 630.0 0.143 0.164 0.193 0.000 0.003 0.000 3/18900 640.0 0.141 0.162 0.190 0.000 0.003 0.000 3/18900 650.0 0.139 0.159 0.187 0.000 0.003 0.000 3/18900 660.0 0.137 0.157 0.184 0.000 0.003 0.000 3/18900 670.0 0.135 0.155 0.182 0.000 0.003 0.000 3/18900 680.0 0.133 0.153 0.179 0.000 0.003 0.000 3/18900 690.0 0.131 0.150 0.177 0.000 0.003 0.000 3/18900 700.0 0.129 0.148 0.174 0.000 0.003 0.000 3/18900 710.0 0.127 0.146 0.172 0.000 0.003 0.000 3/18900 720.0 0.125 0.144 0.170 0.000 0.003 0.000 3/18900 730.0 0.124 0.142 0.167 0.000 0.003 0.000 3/18900 740.0 0.122 0.141 0.165 0.000 0.003 0.000 3/18900 750.0 0.121 0.139 0.163 0.000 0.003 0.000 3/18900 760.0 0.119 0.137 0.161 0.000 0.003 0.000 3/18900 770.0 0.118 0.135 0.159 0.000 0.003 0.000 3/18900 780.0 0.116 0.133 0.157 0.000 0.003 0.000 3/18900 790.0 0.115 0.132 0.155 0.000 0.003 0.000 3/18900 800.0 0.113 0.130 0.153 0.000 0.003 0.000 3/18900 810.0 0.112 0.129 0.151 0.000 0.003 0.000 3/18900 820.0 0.111 0.127 0.149 0.000 0.003 0.000 3/18900 830.0 0.109 0.126 0.148 0.000 0.003 0.000 3/18900 840.0 0.108 0.124 0.146 0.000 0.003 0.000 3/18900 850.0 0.107 0.123 0.144 0.000 0.003 0.000 3/18900 860.0 0.105 0.121 0.143 0.000 0.003 0.000 3/18900 870.0 0.104 0.120 0.141 0.000 0.003 0.000 3/18900 880.0 0.103 0.119 0.139 0.000 0.003 0.000 3/18900 890.0 0.102 0.117 0.138 0.000 0.003 0.000 3/18900 900.0 0.101 0.116 0.136 0.000 0.003 0.000 3/18900 910.0 0.100 0.115 0.135 0.000 0.003 0.000 3/18900 920.0 0.099 0.114 0.133 0.000 0.003 0.000 3/18900 930.0 0.098 0.112 0.132 0.000 0.003 0.000 3/18900 940.0 0.097 0.111 0.131 0.000 0.003 0.000 3/18900 950.0 0.096 0.110 0.129 0.000 0.003 0.000 3/18900 960.0 0.095 0.109 0.128 0.000 0.003 0.000 3/18900 970.0 0.094 0.108 0.127 0.000 0.003 0.000 3/18900 980.0 0.093 0.107 0.125 0.000 0.002 0.000 3/18900 990.0 0.092 0.106 0.124 0.000 0.002 0.000 3/18900 1000.0 0.091 0.105 0.123 0.000 0.002 0.000 3/18900 Thermal conductivity related properties were written into "kappa-m575.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:46:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|