----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:13:49]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.971175840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.890228540000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.686547630000000 Atomic positions (fractional): *1 O 0.77670992768813 0.43264722049968 0.03322897505559 15.999 2 O 0.77670992768813 0.06735277950032 0.96677102494441 15.999 3 O 0.22329007231187 0.93264722049968 0.46677102494441 15.999 4 O 0.22329007231187 0.56735277950032 0.53322897505559 15.999 5 O 0.22329007231187 0.56735277950032 0.96677102494441 15.999 6 O 0.22329007231187 0.93264722049968 0.03322897505559 15.999 7 O 0.77670992768813 0.06735277950032 0.53322897505559 15.999 8 O 0.77670992768813 0.43264722049968 0.46677102494441 15.999 *9 O 0.55736788531207 0.74123988579559 0.12166795858919 15.999 10 O 0.55736788531207 0.74123988579559 0.37833204141081 15.999 11 O 0.44263211468793 0.24123988579559 0.37833204141081 15.999 12 O 0.44263211468793 0.25876011420440 0.62166795858919 15.999 13 O 0.44263211468793 0.25876011420440 0.87833204141081 15.999 14 O 0.44263211468793 0.24123988579559 0.12166795858919 15.999 15 O 0.55736788531207 0.75876011420441 0.62166795858919 15.999 16 O 0.55736788531207 0.75876011420441 0.87833204141081 15.999 *17 Si 0.61176346522923 0.25000000000000 0.50000000000000 28.085 18 Si 0.38823653477077 0.75000000000000 0.50000000000000 28.085 19 Si 0.38823653477077 0.75000000000000 0.00000000000000 28.085 20 Si 0.61176346522923 0.25000000000000 0.00000000000000 28.085 *21 Se 0.08049270907100 0.87828447896777 0.75000000000000 78.960 22 Se 0.08049270907100 0.62171552103223 0.25000000000000 78.960 23 Se 0.91950729092900 0.37828447896777 0.75000000000000 78.960 24 Se 0.91950729092900 0.12171552103223 0.25000000000000 78.960 *25 Dy 0.10692361823149 0.25000000000000 0.50000000000000 162.500 26 Dy 0.10692361823149 0.25000000000000 0.00000000000000 162.500 27 Dy 0.89307638176851 0.75000000000000 0.50000000000000 162.500 28 Dy 0.89307638176851 0.75000000000000 0.00000000000000 162.500 *29 Dy 0.36834951464081 0.52855995407137 0.75000000000000 162.500 30 Dy 0.36834951464081 0.97144004592863 0.25000000000000 162.500 31 Dy 0.63165048535919 0.02855995407137 0.75000000000000 162.500 32 Dy 0.63165048535919 0.47144004592863 0.25000000000000 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.971175840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.890228540000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.686547630000000 Atomic positions (fractional): *1 O 0.77670992768813 0.43264722049968 0.03322897505559 15.999 > 1 2 O 0.77670992768813 0.06735277950032 0.96677102494441 15.999 > 2 3 O 0.22329007231187 0.93264722049968 0.46677102494441 15.999 > 3 4 O 0.22329007231187 0.56735277950032 0.53322897505559 15.999 > 4 5 O 0.22329007231187 0.56735277950032 0.96677102494441 15.999 > 5 6 O 0.22329007231187 0.93264722049968 0.03322897505559 15.999 > 6 7 O 0.77670992768813 0.06735277950032 0.53322897505559 15.999 > 7 8 O 0.77670992768813 0.43264722049968 0.46677102494441 15.999 > 8 *9 O 0.55736788531207 0.74123988579559 0.12166795858919 15.999 > 9 10 O 0.55736788531207 0.74123988579559 0.37833204141081 15.999 > 10 11 O 0.44263211468793 0.24123988579559 0.37833204141081 15.999 > 11 12 O 0.44263211468793 0.25876011420440 0.62166795858919 15.999 > 12 13 O 0.44263211468793 0.25876011420440 0.87833204141081 15.999 > 13 14 O 0.44263211468793 0.24123988579559 0.12166795858919 15.999 > 14 15 O 0.55736788531207 0.75876011420441 0.62166795858919 15.999 > 15 16 O 0.55736788531207 0.75876011420441 0.87833204141081 15.999 > 16 *17 Si 0.61176346522923 0.25000000000000 0.50000000000000 28.085 > 17 18 Si 0.38823653477077 0.75000000000000 0.50000000000000 28.085 > 18 19 Si 0.38823653477077 0.75000000000000 0.00000000000000 28.085 > 19 20 Si 0.61176346522923 0.25000000000000 0.00000000000000 28.085 > 20 *21 Se 0.08049270907100 0.87828447896777 0.75000000000000 78.960 > 21 22 Se 0.08049270907100 0.62171552103223 0.25000000000000 78.960 > 22 23 Se 0.91950729092900 0.37828447896777 0.75000000000000 78.960 > 23 24 Se 0.91950729092900 0.12171552103223 0.25000000000000 78.960 > 24 *25 Dy 0.10692361823149 0.25000000000000 0.50000000000000 162.500 > 25 26 Dy 0.10692361823149 0.25000000000000 0.00000000000000 162.500 > 26 27 Dy 0.89307638176851 0.75000000000000 0.50000000000000 162.500 > 27 28 Dy 0.89307638176851 0.75000000000000 0.00000000000000 162.500 > 28 *29 Dy 0.36834951464081 0.52855995407137 0.75000000000000 162.500 > 29 30 Dy 0.36834951464081 0.97144004592863 0.25000000000000 162.500 > 30 31 Dy 0.63165048535919 0.02855995407137 0.75000000000000 162.500 > 31 32 Dy 0.63165048535919 0.47144004592863 0.25000000000000 162.500 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.942351680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.780457080000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.686547630000000 Atomic positions (fractional): *1 O 0.38835496384406 0.21632361024984 0.03322897505559 15.999 > 1 2 O 0.88835496384406 0.21632361024984 0.03322897505559 15.999 > 1 3 O 0.38835496384406 0.71632361024984 0.03322897505559 15.999 > 1 4 O 0.88835496384406 0.71632361024984 0.03322897505559 15.999 > 1 5 O 0.38835496384406 0.03367638975016 0.96677102494441 15.999 > 2 6 O 0.88835496384406 0.03367638975016 0.96677102494441 15.999 > 2 7 O 0.38835496384406 0.53367638975016 0.96677102494441 15.999 > 2 8 O 0.88835496384406 0.53367638975016 0.96677102494441 15.999 > 2 9 O 0.11164503615594 0.46632361024984 0.46677102494441 15.999 > 3 10 O 0.61164503615594 0.46632361024984 0.46677102494441 15.999 > 3 11 O 0.11164503615594 0.96632361024984 0.46677102494441 15.999 > 3 12 O 0.61164503615594 0.96632361024984 0.46677102494441 15.999 > 3 13 O 0.11164503615594 0.28367638975016 0.53322897505559 15.999 > 4 14 O 0.61164503615594 0.28367638975016 0.53322897505559 15.999 > 4 15 O 0.11164503615594 0.78367638975016 0.53322897505559 15.999 > 4 16 O 0.61164503615594 0.78367638975016 0.53322897505559 15.999 > 4 17 O 0.11164503615594 0.28367638975016 0.96677102494441 15.999 > 5 18 O 0.61164503615594 0.28367638975016 0.96677102494441 15.999 > 5 19 O 0.11164503615594 0.78367638975016 0.96677102494441 15.999 > 5 20 O 0.61164503615594 0.78367638975016 0.96677102494441 15.999 > 5 21 O 0.11164503615594 0.46632361024984 0.03322897505559 15.999 > 6 22 O 0.61164503615594 0.46632361024984 0.03322897505559 15.999 > 6 23 O 0.11164503615594 0.96632361024984 0.03322897505559 15.999 > 6 24 O 0.61164503615594 0.96632361024984 0.03322897505559 15.999 > 6 25 O 0.38835496384406 0.03367638975016 0.53322897505559 15.999 > 7 26 O 0.88835496384406 0.03367638975016 0.53322897505559 15.999 > 7 27 O 0.38835496384406 0.53367638975016 0.53322897505559 15.999 > 7 28 O 0.88835496384406 0.53367638975016 0.53322897505559 15.999 > 7 29 O 0.38835496384406 0.21632361024984 0.46677102494441 15.999 > 8 30 O 0.88835496384406 0.21632361024984 0.46677102494441 15.999 > 8 31 O 0.38835496384406 0.71632361024984 0.46677102494441 15.999 > 8 32 O 0.88835496384406 0.71632361024984 0.46677102494441 15.999 > 8 *33 O 0.27868394265603 0.37061994289780 0.12166795858919 15.999 > 9 34 O 0.77868394265603 0.37061994289780 0.12166795858919 15.999 > 9 35 O 0.27868394265603 0.87061994289780 0.12166795858919 15.999 > 9 36 O 0.77868394265603 0.87061994289780 0.12166795858919 15.999 > 9 37 O 0.27868394265603 0.37061994289780 0.37833204141081 15.999 > 10 38 O 0.77868394265603 0.37061994289780 0.37833204141081 15.999 > 10 39 O 0.27868394265603 0.87061994289780 0.37833204141081 15.999 > 10 40 O 0.77868394265603 0.87061994289780 0.37833204141081 15.999 > 10 41 O 0.22131605734397 0.12061994289780 0.37833204141081 15.999 > 11 42 O 0.72131605734397 0.12061994289780 0.37833204141081 15.999 > 11 43 O 0.22131605734397 0.62061994289780 0.37833204141081 15.999 > 11 44 O 0.72131605734397 0.62061994289780 0.37833204141081 15.999 > 11 45 O 0.22131605734397 0.12938005710220 0.62166795858919 15.999 > 12 46 O 0.72131605734397 0.12938005710220 0.62166795858919 15.999 > 12 47 O 0.22131605734397 0.62938005710220 0.62166795858919 15.999 > 12 48 O 0.72131605734397 0.62938005710220 0.62166795858919 15.999 > 12 49 O 0.22131605734397 0.12938005710220 0.87833204141081 15.999 > 13 50 O 0.72131605734397 0.12938005710220 0.87833204141081 15.999 > 13 51 O 0.22131605734397 0.62938005710220 0.87833204141081 15.999 > 13 52 O 0.72131605734397 0.62938005710220 0.87833204141081 15.999 > 13 53 O 0.22131605734397 0.12061994289780 0.12166795858919 15.999 > 14 54 O 0.72131605734397 0.12061994289780 0.12166795858919 15.999 > 14 55 O 0.22131605734397 0.62061994289780 0.12166795858919 15.999 > 14 56 O 0.72131605734397 0.62061994289780 0.12166795858919 15.999 > 14 57 O 0.27868394265603 0.37938005710220 0.62166795858919 15.999 > 15 58 O 0.77868394265603 0.37938005710220 0.62166795858919 15.999 > 15 59 O 0.27868394265603 0.87938005710220 0.62166795858919 15.999 > 15 60 O 0.77868394265603 0.87938005710220 0.62166795858919 15.999 > 15 61 O 0.27868394265603 0.37938005710220 0.87833204141081 15.999 > 16 62 O 0.77868394265603 0.37938005710220 0.87833204141081 15.999 > 16 63 O 0.27868394265603 0.87938005710220 0.87833204141081 15.999 > 16 64 O 0.77868394265603 0.87938005710220 0.87833204141081 15.999 > 16 *65 Si 0.30588173261461 0.12500000000000 0.50000000000000 28.085 > 17 66 Si 0.80588173261461 0.12500000000000 0.50000000000000 28.085 > 17 67 Si 0.30588173261461 0.62500000000000 0.50000000000000 28.085 > 17 68 Si 0.80588173261461 0.62500000000000 0.50000000000000 28.085 > 17 69 Si 0.19411826738539 0.37500000000000 0.50000000000000 28.085 > 18 70 Si 0.69411826738539 0.37500000000000 0.50000000000000 28.085 > 18 71 Si 0.19411826738539 0.87500000000000 0.50000000000000 28.085 > 18 72 Si 0.69411826738539 0.87500000000000 0.50000000000000 28.085 > 18 73 Si 0.19411826738539 0.37500000000000 0.00000000000000 28.085 > 19 74 Si 0.69411826738539 0.37500000000000 0.00000000000000 28.085 > 19 75 Si 0.19411826738539 0.87500000000000 0.00000000000000 28.085 > 19 76 Si 0.69411826738539 0.87500000000000 0.00000000000000 28.085 > 19 77 Si 0.30588173261461 0.12500000000000 0.00000000000000 28.085 > 20 78 Si 0.80588173261461 0.12500000000000 0.00000000000000 28.085 > 20 79 Si 0.30588173261461 0.62500000000000 0.00000000000000 28.085 > 20 80 Si 0.80588173261461 0.62500000000000 0.00000000000000 28.085 > 20 *81 Se 0.04024635453550 0.43914223948389 0.75000000000000 78.960 > 21 82 Se 0.54024635453550 0.43914223948389 0.75000000000000 78.960 > 21 83 Se 0.04024635453550 0.93914223948389 0.75000000000000 78.960 > 21 84 Se 0.54024635453550 0.93914223948389 0.75000000000000 78.960 > 21 85 Se 0.04024635453550 0.31085776051611 0.25000000000000 78.960 > 22 86 Se 0.54024635453550 0.31085776051611 0.25000000000000 78.960 > 22 87 Se 0.04024635453550 0.81085776051611 0.25000000000000 78.960 > 22 88 Se 0.54024635453550 0.81085776051611 0.25000000000000 78.960 > 22 89 Se 0.45975364546450 0.18914223948389 0.75000000000000 78.960 > 23 90 Se 0.95975364546450 0.18914223948389 0.75000000000000 78.960 > 23 91 Se 0.45975364546450 0.68914223948389 0.75000000000000 78.960 > 23 92 Se 0.95975364546450 0.68914223948389 0.75000000000000 78.960 > 23 93 Se 0.45975364546450 0.06085776051611 0.25000000000000 78.960 > 24 94 Se 0.95975364546450 0.06085776051611 0.25000000000000 78.960 > 24 95 Se 0.45975364546450 0.56085776051611 0.25000000000000 78.960 > 24 96 Se 0.95975364546450 0.56085776051611 0.25000000000000 78.960 > 24 *97 Dy 0.05346180911575 0.12500000000000 0.50000000000000 162.500 > 25 98 Dy 0.55346180911575 0.12500000000000 0.50000000000000 162.500 > 25 99 Dy 0.05346180911575 0.62500000000000 0.50000000000000 162.500 > 25 100 Dy 0.55346180911575 0.62500000000000 0.50000000000000 162.500 > 25 101 Dy 0.05346180911575 0.12500000000000 0.00000000000000 162.500 > 26 102 Dy 0.55346180911575 0.12500000000000 0.00000000000000 162.500 > 26 103 Dy 0.05346180911575 0.62500000000000 0.00000000000000 162.500 > 26 104 Dy 0.55346180911575 0.62500000000000 0.00000000000000 162.500 > 26 105 Dy 0.44653819088425 0.37500000000000 0.50000000000000 162.500 > 27 106 Dy 0.94653819088425 0.37500000000000 0.50000000000000 162.500 > 27 107 Dy 0.44653819088425 0.87500000000000 0.50000000000000 162.500 > 27 108 Dy 0.94653819088425 0.87500000000000 0.50000000000000 162.500 > 27 109 Dy 0.44653819088425 0.37500000000000 0.00000000000000 162.500 > 28 110 Dy 0.94653819088425 0.37500000000000 0.00000000000000 162.500 > 28 111 Dy 0.44653819088425 0.87500000000000 0.00000000000000 162.500 > 28 112 Dy 0.94653819088425 0.87500000000000 0.00000000000000 162.500 > 28 *113 Dy 0.18417475732040 0.26427997703568 0.75000000000000 162.500 > 29 114 Dy 0.68417475732040 0.26427997703568 0.75000000000000 162.500 > 29 115 Dy 0.18417475732040 0.76427997703568 0.75000000000000 162.500 > 29 116 Dy 0.68417475732040 0.76427997703568 0.75000000000000 162.500 > 29 117 Dy 0.18417475732040 0.48572002296432 0.25000000000000 162.500 > 30 118 Dy 0.68417475732040 0.48572002296432 0.25000000000000 162.500 > 30 119 Dy 0.18417475732040 0.98572002296432 0.25000000000000 162.500 > 30 120 Dy 0.68417475732040 0.98572002296432 0.25000000000000 162.500 > 30 121 Dy 0.31582524267960 0.01427997703568 0.75000000000000 162.500 > 31 122 Dy 0.81582524267960 0.01427997703568 0.75000000000000 162.500 > 31 123 Dy 0.31582524267960 0.51427997703568 0.75000000000000 162.500 > 31 124 Dy 0.81582524267960 0.51427997703568 0.75000000000000 162.500 > 31 125 Dy 0.31582524267960 0.23572002296432 0.25000000000000 162.500 > 32 126 Dy 0.81582524267960 0.23572002296432 0.25000000000000 162.500 > 32 127 Dy 0.31582524267960 0.73572002296432 0.25000000000000 162.500 > 32 128 Dy 0.81582524267960 0.73572002296432 0.25000000000000 162.500 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2754407 0.0000000 0.0000000 0.0000000 5.5737992 0.0000000 0.0000000 0.0000000 5.2859970 -------------------------- Born effective charges -------------------------- 1 O -2.1189432 -0.2058339 0.0787519 -0.3251528 -2.5327190 -0.1899373 0.0846202 -0.1335352 -2.3407125 2 O -2.1189432 0.2058339 -0.0787519 0.3251528 -2.5327190 -0.1899373 -0.0846202 -0.1335352 -2.3407125 3 O -2.1189432 0.2058339 0.0787519 0.3251528 -2.5327190 0.1899373 0.0846202 0.1335352 -2.3407125 4 O -2.1189432 -0.2058339 -0.0787519 -0.3251528 -2.5327190 0.1899373 -0.0846202 0.1335352 -2.3407125 5 O -2.1189432 -0.2058339 0.0787519 -0.3251528 -2.5327190 -0.1899373 0.0846202 -0.1335352 -2.3407125 6 O -2.1189432 0.2058339 -0.0787519 0.3251528 -2.5327190 -0.1899373 -0.0846202 -0.1335352 -2.3407125 7 O -2.1189432 0.2058339 0.0787519 0.3251528 -2.5327190 0.1899373 0.0846202 0.1335352 -2.3407125 8 O -2.1189432 -0.2058339 -0.0787519 -0.3251528 -2.5327190 0.1899373 -0.0846202 0.1335352 -2.3407125 9 O -2.6493219 0.3344342 -0.0227668 0.1940675 -1.9449182 0.1436081 0.0640522 0.0607394 -2.3867310 10 O -2.6493219 0.3344342 0.0227668 0.1940675 -1.9449182 -0.1436081 -0.0640522 -0.0607394 -2.3867310 11 O -2.6493219 -0.3344342 -0.0227668 -0.1940675 -1.9449182 -0.1436081 0.0640522 -0.0607394 -2.3867310 12 O -2.6493219 0.3344342 0.0227668 0.1940675 -1.9449182 -0.1436081 -0.0640522 -0.0607394 -2.3867310 13 O -2.6493219 0.3344342 -0.0227668 0.1940675 -1.9449182 0.1436081 0.0640522 0.0607394 -2.3867310 14 O -2.6493219 -0.3344342 0.0227668 -0.1940675 -1.9449182 0.1436081 -0.0640522 0.0607394 -2.3867310 15 O -2.6493219 -0.3344342 -0.0227668 -0.1940675 -1.9449182 -0.1436081 0.0640522 -0.0607394 -2.3867310 16 O -2.6493219 -0.3344342 0.0227668 -0.1940675 -1.9449182 0.1436081 -0.0640522 0.0607394 -2.3867310 17 Si 3.7746661 0.0000000 0.0000000 -0.0000000 2.7145219 -0.0045347 0.0000000 -0.1848366 3.7021087 18 Si 3.7746661 0.0000000 0.0000000 -0.0000000 2.7145219 -0.0045347 0.0000000 -0.1848366 3.7021087 19 Si 3.7746661 0.0000000 0.0000000 -0.0000000 2.7145219 0.0045347 0.0000000 0.1848366 3.7021087 20 Si 3.7746661 0.0000000 0.0000000 -0.0000000 2.7145219 0.0045347 0.0000000 0.1848366 3.7021087 21 Se -2.2535998 0.3452573 0.0000000 0.3880843 -2.1229957 0.0000000 0.0000000 0.0000000 -2.0936231 22 Se -2.2535998 -0.3452573 0.0000000 -0.3880843 -2.1229957 0.0000000 0.0000000 0.0000000 -2.0936231 23 Se -2.2535998 -0.3452573 0.0000000 -0.3880843 -2.1229957 0.0000000 0.0000000 0.0000000 -2.0936231 24 Se -2.2535998 0.3452573 0.0000000 0.3880843 -2.1229957 0.0000000 0.0000000 0.0000000 -2.0936231 25 Dy 3.8012606 0.0000000 0.0000000 -0.0000000 4.2357388 -0.0398012 0.0000000 0.1781579 4.2686783 26 Dy 3.8012606 0.0000000 0.0000000 -0.0000000 4.2357388 0.0398012 0.0000000 -0.1781579 4.2686783 27 Dy 3.8012606 0.0000000 0.0000000 -0.0000000 4.2357388 -0.0398012 0.0000000 0.1781579 4.2686783 28 Dy 3.8012606 0.0000000 0.0000000 -0.0000000 4.2357388 0.0398012 0.0000000 -0.1781579 4.2686783 29 Dy 4.2142032 -0.2311737 0.0000000 -0.1145960 4.1280095 0.0000000 0.0000000 0.0000000 3.5777232 30 Dy 4.2142032 0.2311737 0.0000000 0.1145960 4.1280095 0.0000000 0.0000000 0.0000000 3.5777232 31 Dy 4.2142032 0.2311737 0.0000000 0.1145960 4.1280095 0.0000000 0.0000000 0.0000000 3.5777232 32 Dy 4.2142032 -0.2311737 0.0000000 -0.1145960 4.1280095 0.0000000 0.0000000 0.0000000 3.5777232 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 480 - Time: 0.964 Solver_block: 200 / 480 - Time: 0.911 Solver_block: 300 / 480 - Time: 0.932 Solver_block: 400 / 480 - Time: 0.922 Solver_block: 480 / 480 - Time: 0.792 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.608 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2472 Number of blocks in projector: 2472 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 496 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2472, 2434), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (464, 460), data: True |-- (496, 488), data: True |-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:14:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:14:21]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.971175840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.890228540000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.686547630000000 Atomic positions (fractional): 1 O 0.77670992768813 0.43264722049968 0.03322897505559 15.999 2 O 0.77670992768813 0.06735277950032 0.96677102494441 15.999 3 O 0.22329007231187 0.93264722049968 0.46677102494441 15.999 4 O 0.22329007231187 0.56735277950032 0.53322897505559 15.999 5 O 0.22329007231187 0.56735277950032 0.96677102494441 15.999 6 O 0.22329007231187 0.93264722049968 0.03322897505559 15.999 7 O 0.77670992768813 0.06735277950032 0.53322897505559 15.999 8 O 0.77670992768813 0.43264722049968 0.46677102494441 15.999 9 O 0.55736788531207 0.74123988579559 0.12166795858919 15.999 10 O 0.55736788531207 0.74123988579559 0.37833204141081 15.999 11 O 0.44263211468793 0.24123988579559 0.37833204141081 15.999 12 O 0.44263211468793 0.25876011420440 0.62166795858919 15.999 13 O 0.44263211468793 0.25876011420440 0.87833204141081 15.999 14 O 0.44263211468793 0.24123988579559 0.12166795858919 15.999 15 O 0.55736788531207 0.75876011420441 0.62166795858919 15.999 16 O 0.55736788531207 0.75876011420441 0.87833204141081 15.999 17 Si 0.61176346522923 0.25000000000000 0.50000000000000 28.085 18 Si 0.38823653477077 0.75000000000000 0.50000000000000 28.085 19 Si 0.38823653477077 0.75000000000000 0.00000000000000 28.085 20 Si 0.61176346522923 0.25000000000000 0.00000000000000 28.085 21 Se 0.08049270907100 0.87828447896777 0.75000000000000 78.960 22 Se 0.08049270907100 0.62171552103223 0.25000000000000 78.960 23 Se 0.91950729092900 0.37828447896777 0.75000000000000 78.960 24 Se 0.91950729092900 0.12171552103223 0.25000000000000 78.960 25 Dy 0.10692361823149 0.25000000000000 0.50000000000000 162.500 26 Dy 0.10692361823149 0.25000000000000 0.00000000000000 162.500 27 Dy 0.89307638176851 0.75000000000000 0.50000000000000 162.500 28 Dy 0.89307638176851 0.75000000000000 0.00000000000000 162.500 29 Dy 0.36834951464081 0.52855995407137 0.75000000000000 162.500 30 Dy 0.36834951464081 0.97144004592863 0.25000000000000 162.500 31 Dy 0.63165048535919 0.02855995407137 0.75000000000000 162.500 32 Dy 0.63165048535919 0.47144004592863 0.25000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.942351680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.780457080000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.686547630000000 Atomic positions (fractional): 1 O 0.38835496384406 0.21632361024984 0.03322897505559 15.999 > 1 2 O 0.88835496384406 0.21632361024984 0.03322897505559 15.999 > 1 3 O 0.38835496384406 0.71632361024984 0.03322897505559 15.999 > 1 4 O 0.88835496384406 0.71632361024984 0.03322897505559 15.999 > 1 5 O 0.38835496384406 0.03367638975016 0.96677102494441 15.999 > 5 6 O 0.88835496384406 0.03367638975016 0.96677102494441 15.999 > 5 7 O 0.38835496384406 0.53367638975016 0.96677102494441 15.999 > 5 8 O 0.88835496384406 0.53367638975016 0.96677102494441 15.999 > 5 9 O 0.11164503615594 0.46632361024984 0.46677102494441 15.999 > 9 10 O 0.61164503615594 0.46632361024984 0.46677102494441 15.999 > 9 11 O 0.11164503615594 0.96632361024984 0.46677102494441 15.999 > 9 12 O 0.61164503615594 0.96632361024984 0.46677102494441 15.999 > 9 13 O 0.11164503615594 0.28367638975016 0.53322897505559 15.999 > 13 14 O 0.61164503615594 0.28367638975016 0.53322897505559 15.999 > 13 15 O 0.11164503615594 0.78367638975016 0.53322897505559 15.999 > 13 16 O 0.61164503615594 0.78367638975016 0.53322897505559 15.999 > 13 17 O 0.11164503615594 0.28367638975016 0.96677102494441 15.999 > 17 18 O 0.61164503615594 0.28367638975016 0.96677102494441 15.999 > 17 19 O 0.11164503615594 0.78367638975016 0.96677102494441 15.999 > 17 20 O 0.61164503615594 0.78367638975016 0.96677102494441 15.999 > 17 21 O 0.11164503615594 0.46632361024984 0.03322897505559 15.999 > 21 22 O 0.61164503615594 0.46632361024984 0.03322897505559 15.999 > 21 23 O 0.11164503615594 0.96632361024984 0.03322897505559 15.999 > 21 24 O 0.61164503615594 0.96632361024984 0.03322897505559 15.999 > 21 25 O 0.38835496384406 0.03367638975016 0.53322897505559 15.999 > 25 26 O 0.88835496384406 0.03367638975016 0.53322897505559 15.999 > 25 27 O 0.38835496384406 0.53367638975016 0.53322897505559 15.999 > 25 28 O 0.88835496384406 0.53367638975016 0.53322897505559 15.999 > 25 29 O 0.38835496384406 0.21632361024984 0.46677102494441 15.999 > 29 30 O 0.88835496384406 0.21632361024984 0.46677102494441 15.999 > 29 31 O 0.38835496384406 0.71632361024984 0.46677102494441 15.999 > 29 32 O 0.88835496384406 0.71632361024984 0.46677102494441 15.999 > 29 33 O 0.27868394265603 0.37061994289780 0.12166795858919 15.999 > 33 34 O 0.77868394265603 0.37061994289780 0.12166795858919 15.999 > 33 35 O 0.27868394265603 0.87061994289780 0.12166795858919 15.999 > 33 36 O 0.77868394265603 0.87061994289780 0.12166795858919 15.999 > 33 37 O 0.27868394265603 0.37061994289780 0.37833204141081 15.999 > 37 38 O 0.77868394265603 0.37061994289780 0.37833204141081 15.999 > 37 39 O 0.27868394265603 0.87061994289780 0.37833204141081 15.999 > 37 40 O 0.77868394265603 0.87061994289780 0.37833204141081 15.999 > 37 41 O 0.22131605734397 0.12061994289780 0.37833204141081 15.999 > 41 42 O 0.72131605734397 0.12061994289780 0.37833204141081 15.999 > 41 43 O 0.22131605734397 0.62061994289780 0.37833204141081 15.999 > 41 44 O 0.72131605734397 0.62061994289780 0.37833204141081 15.999 > 41 45 O 0.22131605734397 0.12938005710220 0.62166795858919 15.999 > 45 46 O 0.72131605734397 0.12938005710220 0.62166795858919 15.999 > 45 47 O 0.22131605734397 0.62938005710220 0.62166795858919 15.999 > 45 48 O 0.72131605734397 0.62938005710220 0.62166795858919 15.999 > 45 49 O 0.22131605734397 0.12938005710220 0.87833204141081 15.999 > 49 50 O 0.72131605734397 0.12938005710220 0.87833204141081 15.999 > 49 51 O 0.22131605734397 0.62938005710220 0.87833204141081 15.999 > 49 52 O 0.72131605734397 0.62938005710220 0.87833204141081 15.999 > 49 53 O 0.22131605734397 0.12061994289780 0.12166795858919 15.999 > 53 54 O 0.72131605734397 0.12061994289780 0.12166795858919 15.999 > 53 55 O 0.22131605734397 0.62061994289780 0.12166795858919 15.999 > 53 56 O 0.72131605734397 0.62061994289780 0.12166795858919 15.999 > 53 57 O 0.27868394265603 0.37938005710220 0.62166795858919 15.999 > 57 58 O 0.77868394265603 0.37938005710220 0.62166795858919 15.999 > 57 59 O 0.27868394265603 0.87938005710220 0.62166795858919 15.999 > 57 60 O 0.77868394265603 0.87938005710220 0.62166795858919 15.999 > 57 61 O 0.27868394265603 0.37938005710220 0.87833204141081 15.999 > 61 62 O 0.77868394265603 0.37938005710220 0.87833204141081 15.999 > 61 63 O 0.27868394265603 0.87938005710220 0.87833204141081 15.999 > 61 64 O 0.77868394265603 0.87938005710220 0.87833204141081 15.999 > 61 65 Si 0.30588173261461 0.12500000000000 0.50000000000000 28.085 > 65 66 Si 0.80588173261461 0.12500000000000 0.50000000000000 28.085 > 65 67 Si 0.30588173261461 0.62500000000000 0.50000000000000 28.085 > 65 68 Si 0.80588173261461 0.62500000000000 0.50000000000000 28.085 > 65 69 Si 0.19411826738539 0.37500000000000 0.50000000000000 28.085 > 69 70 Si 0.69411826738539 0.37500000000000 0.50000000000000 28.085 > 69 71 Si 0.19411826738539 0.87500000000000 0.50000000000000 28.085 > 69 72 Si 0.69411826738539 0.87500000000000 0.50000000000000 28.085 > 69 73 Si 0.19411826738539 0.37500000000000 0.00000000000000 28.085 > 73 74 Si 0.69411826738539 0.37500000000000 0.00000000000000 28.085 > 73 75 Si 0.19411826738539 0.87500000000000 0.00000000000000 28.085 > 73 76 Si 0.69411826738539 0.87500000000000 0.00000000000000 28.085 > 73 77 Si 0.30588173261461 0.12500000000000 0.00000000000000 28.085 > 77 78 Si 0.80588173261461 0.12500000000000 0.00000000000000 28.085 > 77 79 Si 0.30588173261461 0.62500000000000 0.00000000000000 28.085 > 77 80 Si 0.80588173261461 0.62500000000000 0.00000000000000 28.085 > 77 81 Se 0.04024635453550 0.43914223948389 0.75000000000000 78.960 > 81 82 Se 0.54024635453550 0.43914223948389 0.75000000000000 78.960 > 81 83 Se 0.04024635453550 0.93914223948389 0.75000000000000 78.960 > 81 84 Se 0.54024635453550 0.93914223948389 0.75000000000000 78.960 > 81 85 Se 0.04024635453550 0.31085776051611 0.25000000000000 78.960 > 85 86 Se 0.54024635453550 0.31085776051611 0.25000000000000 78.960 > 85 87 Se 0.04024635453550 0.81085776051611 0.25000000000000 78.960 > 85 88 Se 0.54024635453550 0.81085776051611 0.25000000000000 78.960 > 85 89 Se 0.45975364546450 0.18914223948389 0.75000000000000 78.960 > 89 90 Se 0.95975364546450 0.18914223948389 0.75000000000000 78.960 > 89 91 Se 0.45975364546450 0.68914223948389 0.75000000000000 78.960 > 89 92 Se 0.95975364546450 0.68914223948389 0.75000000000000 78.960 > 89 93 Se 0.45975364546450 0.06085776051611 0.25000000000000 78.960 > 93 94 Se 0.95975364546450 0.06085776051611 0.25000000000000 78.960 > 93 95 Se 0.45975364546450 0.56085776051611 0.25000000000000 78.960 > 93 96 Se 0.95975364546450 0.56085776051611 0.25000000000000 78.960 > 93 97 Dy 0.05346180911575 0.12500000000000 0.50000000000000 162.500 > 97 98 Dy 0.55346180911575 0.12500000000000 0.50000000000000 162.500 > 97 99 Dy 0.05346180911575 0.62500000000000 0.50000000000000 162.500 > 97 100 Dy 0.55346180911575 0.62500000000000 0.50000000000000 162.500 > 97 101 Dy 0.05346180911575 0.12500000000000 0.00000000000000 162.500 > 101 102 Dy 0.55346180911575 0.12500000000000 0.00000000000000 162.500 > 101 103 Dy 0.05346180911575 0.62500000000000 0.00000000000000 162.500 > 101 104 Dy 0.55346180911575 0.62500000000000 0.00000000000000 162.500 > 101 105 Dy 0.44653819088425 0.37500000000000 0.50000000000000 162.500 > 105 106 Dy 0.94653819088425 0.37500000000000 0.50000000000000 162.500 > 105 107 Dy 0.44653819088425 0.87500000000000 0.50000000000000 162.500 > 105 108 Dy 0.94653819088425 0.87500000000000 0.50000000000000 162.500 > 105 109 Dy 0.44653819088425 0.37500000000000 0.00000000000000 162.500 > 109 110 Dy 0.94653819088425 0.37500000000000 0.00000000000000 162.500 > 109 111 Dy 0.44653819088425 0.87500000000000 0.00000000000000 162.500 > 109 112 Dy 0.94653819088425 0.87500000000000 0.00000000000000 162.500 > 109 113 Dy 0.18417475732040 0.26427997703568 0.75000000000000 162.500 > 113 114 Dy 0.68417475732040 0.26427997703568 0.75000000000000 162.500 > 113 115 Dy 0.18417475732040 0.76427997703568 0.75000000000000 162.500 > 113 116 Dy 0.68417475732040 0.76427997703568 0.75000000000000 162.500 > 113 117 Dy 0.18417475732040 0.48572002296432 0.25000000000000 162.500 > 117 118 Dy 0.68417475732040 0.48572002296432 0.25000000000000 162.500 > 117 119 Dy 0.18417475732040 0.98572002296432 0.25000000000000 162.500 > 117 120 Dy 0.68417475732040 0.98572002296432 0.25000000000000 162.500 > 117 121 Dy 0.31582524267960 0.01427997703568 0.75000000000000 162.500 > 121 122 Dy 0.81582524267960 0.01427997703568 0.75000000000000 162.500 > 121 123 Dy 0.31582524267960 0.51427997703568 0.75000000000000 162.500 > 121 124 Dy 0.81582524267960 0.51427997703568 0.75000000000000 162.500 > 121 125 Dy 0.31582524267960 0.23572002296432 0.25000000000000 162.500 > 125 126 Dy 0.81582524267960 0.23572002296432 0.25000000000000 162.500 > 125 127 Dy 0.31582524267960 0.73572002296432 0.25000000000000 162.500 > 125 128 Dy 0.81582524267960 0.73572002296432 0.25000000000000 162.500 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2754407 0.0000000 0.0000000 0.0000000 5.5737992 0.0000000 0.0000000 0.0000000 5.2859970 -------------------------- Born effective charges -------------------------- 1 O -2.1189432 -0.2058339 0.0787519 -0.3251528 -2.5327190 -0.1899373 0.0846202 -0.1335352 -2.3407125 2 O -2.1189432 0.2058339 -0.0787519 0.3251528 -2.5327190 -0.1899373 -0.0846202 -0.1335352 -2.3407125 3 O -2.1189432 0.2058339 0.0787519 0.3251528 -2.5327190 0.1899373 0.0846202 0.1335352 -2.3407125 4 O -2.1189432 -0.2058339 -0.0787519 -0.3251528 -2.5327190 0.1899373 -0.0846202 0.1335352 -2.3407125 5 O -2.1189432 -0.2058339 0.0787519 -0.3251528 -2.5327190 -0.1899373 0.0846202 -0.1335352 -2.3407125 6 O -2.1189432 0.2058339 -0.0787519 0.3251528 -2.5327190 -0.1899373 -0.0846202 -0.1335352 -2.3407125 7 O -2.1189432 0.2058339 0.0787519 0.3251528 -2.5327190 0.1899373 0.0846202 0.1335352 -2.3407125 8 O -2.1189432 -0.2058339 -0.0787519 -0.3251528 -2.5327190 0.1899373 -0.0846202 0.1335352 -2.3407125 9 O -2.6493219 0.3344342 -0.0227668 0.1940675 -1.9449182 0.1436081 0.0640522 0.0607394 -2.3867310 10 O -2.6493219 0.3344342 0.0227668 0.1940675 -1.9449182 -0.1436081 -0.0640522 -0.0607394 -2.3867310 11 O -2.6493219 -0.3344342 -0.0227668 -0.1940675 -1.9449182 -0.1436081 0.0640522 -0.0607394 -2.3867310 12 O -2.6493219 0.3344342 0.0227668 0.1940675 -1.9449182 -0.1436081 -0.0640522 -0.0607394 -2.3867310 13 O -2.6493219 0.3344342 -0.0227668 0.1940675 -1.9449182 0.1436081 0.0640522 0.0607394 -2.3867310 14 O -2.6493219 -0.3344342 0.0227668 -0.1940675 -1.9449182 0.1436081 -0.0640522 0.0607394 -2.3867310 15 O -2.6493219 -0.3344342 -0.0227668 -0.1940675 -1.9449182 -0.1436081 0.0640522 -0.0607394 -2.3867310 16 O -2.6493219 -0.3344342 0.0227668 -0.1940675 -1.9449182 0.1436081 -0.0640522 0.0607394 -2.3867310 17 Si 3.7746661 0.0000000 0.0000000 -0.0000000 2.7145219 -0.0045347 0.0000000 -0.1848366 3.7021087 18 Si 3.7746661 0.0000000 0.0000000 -0.0000000 2.7145219 -0.0045347 0.0000000 -0.1848366 3.7021087 19 Si 3.7746661 0.0000000 0.0000000 -0.0000000 2.7145219 0.0045347 0.0000000 0.1848366 3.7021087 20 Si 3.7746661 0.0000000 0.0000000 -0.0000000 2.7145219 0.0045347 0.0000000 0.1848366 3.7021087 21 Se -2.2535998 0.3452573 0.0000000 0.3880843 -2.1229957 0.0000000 0.0000000 0.0000000 -2.0936231 22 Se -2.2535998 -0.3452573 0.0000000 -0.3880843 -2.1229957 0.0000000 0.0000000 0.0000000 -2.0936231 23 Se -2.2535998 -0.3452573 0.0000000 -0.3880843 -2.1229957 0.0000000 0.0000000 0.0000000 -2.0936231 24 Se -2.2535998 0.3452573 0.0000000 0.3880843 -2.1229957 0.0000000 0.0000000 0.0000000 -2.0936231 25 Dy 3.8012606 0.0000000 0.0000000 -0.0000000 4.2357388 -0.0398012 0.0000000 0.1781579 4.2686783 26 Dy 3.8012606 0.0000000 0.0000000 -0.0000000 4.2357388 0.0398012 0.0000000 -0.1781579 4.2686783 27 Dy 3.8012606 0.0000000 0.0000000 -0.0000000 4.2357388 -0.0398012 0.0000000 0.1781579 4.2686783 28 Dy 3.8012606 0.0000000 0.0000000 -0.0000000 4.2357388 0.0398012 0.0000000 -0.1781579 4.2686783 29 Dy 4.2142032 -0.2311737 0.0000000 -0.1145960 4.1280095 0.0000000 0.0000000 0.0000000 3.5777232 30 Dy 4.2142032 0.2311737 0.0000000 0.1145960 4.1280095 0.0000000 0.0000000 0.0000000 3.5777232 31 Dy 4.2142032 0.2311737 0.0000000 0.1145960 4.1280095 0.0000000 0.0000000 0.0000000 3.5777232 32 Dy 4.2142032 -0.2311737 0.0000000 -0.1145960 4.1280095 0.0000000 0.0000000 0.0000000 3.5777232 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yxy) 0.00000003 (yxy) 0.00000003 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (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 04:14:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:14:57]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.971175840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.890228540000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.686547630000000 Atomic positions (fractional): 1 O 0.77670992768813 0.43264722049968 0.03322897505559 15.999 2 O 0.77670992768813 0.06735277950032 0.96677102494441 15.999 3 O 0.22329007231187 0.93264722049968 0.46677102494441 15.999 4 O 0.22329007231187 0.56735277950032 0.53322897505559 15.999 5 O 0.22329007231187 0.56735277950032 0.96677102494441 15.999 6 O 0.22329007231187 0.93264722049968 0.03322897505559 15.999 7 O 0.77670992768813 0.06735277950032 0.53322897505559 15.999 8 O 0.77670992768813 0.43264722049968 0.46677102494441 15.999 9 O 0.55736788531207 0.74123988579559 0.12166795858919 15.999 10 O 0.55736788531207 0.74123988579559 0.37833204141081 15.999 11 O 0.44263211468793 0.24123988579559 0.37833204141081 15.999 12 O 0.44263211468793 0.25876011420440 0.62166795858919 15.999 13 O 0.44263211468793 0.25876011420440 0.87833204141081 15.999 14 O 0.44263211468793 0.24123988579559 0.12166795858919 15.999 15 O 0.55736788531207 0.75876011420441 0.62166795858919 15.999 16 O 0.55736788531207 0.75876011420441 0.87833204141081 15.999 17 Si 0.61176346522923 0.25000000000000 0.50000000000000 28.085 18 Si 0.38823653477077 0.75000000000000 0.50000000000000 28.085 19 Si 0.38823653477077 0.75000000000000 0.00000000000000 28.085 20 Si 0.61176346522923 0.25000000000000 0.00000000000000 28.085 21 Se 0.08049270907100 0.87828447896777 0.75000000000000 78.960 22 Se 0.08049270907100 0.62171552103223 0.25000000000000 78.960 23 Se 0.91950729092900 0.37828447896777 0.75000000000000 78.960 24 Se 0.91950729092900 0.12171552103223 0.25000000000000 78.960 25 Dy 0.10692361823149 0.25000000000000 0.50000000000000 162.500 26 Dy 0.10692361823149 0.25000000000000 0.00000000000000 162.500 27 Dy 0.89307638176851 0.75000000000000 0.50000000000000 162.500 28 Dy 0.89307638176851 0.75000000000000 0.00000000000000 162.500 29 Dy 0.36834951464081 0.52855995407137 0.75000000000000 162.500 30 Dy 0.36834951464081 0.97144004592863 0.25000000000000 162.500 31 Dy 0.63165048535919 0.02855995407137 0.75000000000000 162.500 32 Dy 0.63165048535919 0.47144004592863 0.25000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.942351680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.780457080000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.686547630000000 Atomic positions (fractional): 1 O 0.38835496384406 0.21632361024984 0.03322897505559 15.999 > 1 2 O 0.88835496384406 0.21632361024984 0.03322897505559 15.999 > 1 3 O 0.38835496384406 0.71632361024984 0.03322897505559 15.999 > 1 4 O 0.88835496384406 0.71632361024984 0.03322897505559 15.999 > 1 5 O 0.38835496384406 0.03367638975016 0.96677102494441 15.999 > 5 6 O 0.88835496384406 0.03367638975016 0.96677102494441 15.999 > 5 7 O 0.38835496384406 0.53367638975016 0.96677102494441 15.999 > 5 8 O 0.88835496384406 0.53367638975016 0.96677102494441 15.999 > 5 9 O 0.11164503615594 0.46632361024984 0.46677102494441 15.999 > 9 10 O 0.61164503615594 0.46632361024984 0.46677102494441 15.999 > 9 11 O 0.11164503615594 0.96632361024984 0.46677102494441 15.999 > 9 12 O 0.61164503615594 0.96632361024984 0.46677102494441 15.999 > 9 13 O 0.11164503615594 0.28367638975016 0.53322897505559 15.999 > 13 14 O 0.61164503615594 0.28367638975016 0.53322897505559 15.999 > 13 15 O 0.11164503615594 0.78367638975016 0.53322897505559 15.999 > 13 16 O 0.61164503615594 0.78367638975016 0.53322897505559 15.999 > 13 17 O 0.11164503615594 0.28367638975016 0.96677102494441 15.999 > 17 18 O 0.61164503615594 0.28367638975016 0.96677102494441 15.999 > 17 19 O 0.11164503615594 0.78367638975016 0.96677102494441 15.999 > 17 20 O 0.61164503615594 0.78367638975016 0.96677102494441 15.999 > 17 21 O 0.11164503615594 0.46632361024984 0.03322897505559 15.999 > 21 22 O 0.61164503615594 0.46632361024984 0.03322897505559 15.999 > 21 23 O 0.11164503615594 0.96632361024984 0.03322897505559 15.999 > 21 24 O 0.61164503615594 0.96632361024984 0.03322897505559 15.999 > 21 25 O 0.38835496384406 0.03367638975016 0.53322897505559 15.999 > 25 26 O 0.88835496384406 0.03367638975016 0.53322897505559 15.999 > 25 27 O 0.38835496384406 0.53367638975016 0.53322897505559 15.999 > 25 28 O 0.88835496384406 0.53367638975016 0.53322897505559 15.999 > 25 29 O 0.38835496384406 0.21632361024984 0.46677102494441 15.999 > 29 30 O 0.88835496384406 0.21632361024984 0.46677102494441 15.999 > 29 31 O 0.38835496384406 0.71632361024984 0.46677102494441 15.999 > 29 32 O 0.88835496384406 0.71632361024984 0.46677102494441 15.999 > 29 33 O 0.27868394265603 0.37061994289780 0.12166795858919 15.999 > 33 34 O 0.77868394265603 0.37061994289780 0.12166795858919 15.999 > 33 35 O 0.27868394265603 0.87061994289780 0.12166795858919 15.999 > 33 36 O 0.77868394265603 0.87061994289780 0.12166795858919 15.999 > 33 37 O 0.27868394265603 0.37061994289780 0.37833204141081 15.999 > 37 38 O 0.77868394265603 0.37061994289780 0.37833204141081 15.999 > 37 39 O 0.27868394265603 0.87061994289780 0.37833204141081 15.999 > 37 40 O 0.77868394265603 0.87061994289780 0.37833204141081 15.999 > 37 41 O 0.22131605734397 0.12061994289780 0.37833204141081 15.999 > 41 42 O 0.72131605734397 0.12061994289780 0.37833204141081 15.999 > 41 43 O 0.22131605734397 0.62061994289780 0.37833204141081 15.999 > 41 44 O 0.72131605734397 0.62061994289780 0.37833204141081 15.999 > 41 45 O 0.22131605734397 0.12938005710220 0.62166795858919 15.999 > 45 46 O 0.72131605734397 0.12938005710220 0.62166795858919 15.999 > 45 47 O 0.22131605734397 0.62938005710220 0.62166795858919 15.999 > 45 48 O 0.72131605734397 0.62938005710220 0.62166795858919 15.999 > 45 49 O 0.22131605734397 0.12938005710220 0.87833204141081 15.999 > 49 50 O 0.72131605734397 0.12938005710220 0.87833204141081 15.999 > 49 51 O 0.22131605734397 0.62938005710220 0.87833204141081 15.999 > 49 52 O 0.72131605734397 0.62938005710220 0.87833204141081 15.999 > 49 53 O 0.22131605734397 0.12061994289780 0.12166795858919 15.999 > 53 54 O 0.72131605734397 0.12061994289780 0.12166795858919 15.999 > 53 55 O 0.22131605734397 0.62061994289780 0.12166795858919 15.999 > 53 56 O 0.72131605734397 0.62061994289780 0.12166795858919 15.999 > 53 57 O 0.27868394265603 0.37938005710220 0.62166795858919 15.999 > 57 58 O 0.77868394265603 0.37938005710220 0.62166795858919 15.999 > 57 59 O 0.27868394265603 0.87938005710220 0.62166795858919 15.999 > 57 60 O 0.77868394265603 0.87938005710220 0.62166795858919 15.999 > 57 61 O 0.27868394265603 0.37938005710220 0.87833204141081 15.999 > 61 62 O 0.77868394265603 0.37938005710220 0.87833204141081 15.999 > 61 63 O 0.27868394265603 0.87938005710220 0.87833204141081 15.999 > 61 64 O 0.77868394265603 0.87938005710220 0.87833204141081 15.999 > 61 65 Si 0.30588173261461 0.12500000000000 0.50000000000000 28.085 > 65 66 Si 0.80588173261461 0.12500000000000 0.50000000000000 28.085 > 65 67 Si 0.30588173261461 0.62500000000000 0.50000000000000 28.085 > 65 68 Si 0.80588173261461 0.62500000000000 0.50000000000000 28.085 > 65 69 Si 0.19411826738539 0.37500000000000 0.50000000000000 28.085 > 69 70 Si 0.69411826738539 0.37500000000000 0.50000000000000 28.085 > 69 71 Si 0.19411826738539 0.87500000000000 0.50000000000000 28.085 > 69 72 Si 0.69411826738539 0.87500000000000 0.50000000000000 28.085 > 69 73 Si 0.19411826738539 0.37500000000000 0.00000000000000 28.085 > 73 74 Si 0.69411826738539 0.37500000000000 0.00000000000000 28.085 > 73 75 Si 0.19411826738539 0.87500000000000 0.00000000000000 28.085 > 73 76 Si 0.69411826738539 0.87500000000000 0.00000000000000 28.085 > 73 77 Si 0.30588173261461 0.12500000000000 0.00000000000000 28.085 > 77 78 Si 0.80588173261461 0.12500000000000 0.00000000000000 28.085 > 77 79 Si 0.30588173261461 0.62500000000000 0.00000000000000 28.085 > 77 80 Si 0.80588173261461 0.62500000000000 0.00000000000000 28.085 > 77 81 Se 0.04024635453550 0.43914223948389 0.75000000000000 78.960 > 81 82 Se 0.54024635453550 0.43914223948389 0.75000000000000 78.960 > 81 83 Se 0.04024635453550 0.93914223948389 0.75000000000000 78.960 > 81 84 Se 0.54024635453550 0.93914223948389 0.75000000000000 78.960 > 81 85 Se 0.04024635453550 0.31085776051611 0.25000000000000 78.960 > 85 86 Se 0.54024635453550 0.31085776051611 0.25000000000000 78.960 > 85 87 Se 0.04024635453550 0.81085776051611 0.25000000000000 78.960 > 85 88 Se 0.54024635453550 0.81085776051611 0.25000000000000 78.960 > 85 89 Se 0.45975364546450 0.18914223948389 0.75000000000000 78.960 > 89 90 Se 0.95975364546450 0.18914223948389 0.75000000000000 78.960 > 89 91 Se 0.45975364546450 0.68914223948389 0.75000000000000 78.960 > 89 92 Se 0.95975364546450 0.68914223948389 0.75000000000000 78.960 > 89 93 Se 0.45975364546450 0.06085776051611 0.25000000000000 78.960 > 93 94 Se 0.95975364546450 0.06085776051611 0.25000000000000 78.960 > 93 95 Se 0.45975364546450 0.56085776051611 0.25000000000000 78.960 > 93 96 Se 0.95975364546450 0.56085776051611 0.25000000000000 78.960 > 93 97 Dy 0.05346180911575 0.12500000000000 0.50000000000000 162.500 > 97 98 Dy 0.55346180911575 0.12500000000000 0.50000000000000 162.500 > 97 99 Dy 0.05346180911575 0.62500000000000 0.50000000000000 162.500 > 97 100 Dy 0.55346180911575 0.62500000000000 0.50000000000000 162.500 > 97 101 Dy 0.05346180911575 0.12500000000000 0.00000000000000 162.500 > 101 102 Dy 0.55346180911575 0.12500000000000 0.00000000000000 162.500 > 101 103 Dy 0.05346180911575 0.62500000000000 0.00000000000000 162.500 > 101 104 Dy 0.55346180911575 0.62500000000000 0.00000000000000 162.500 > 101 105 Dy 0.44653819088425 0.37500000000000 0.50000000000000 162.500 > 105 106 Dy 0.94653819088425 0.37500000000000 0.50000000000000 162.500 > 105 107 Dy 0.44653819088425 0.87500000000000 0.50000000000000 162.500 > 105 108 Dy 0.94653819088425 0.87500000000000 0.50000000000000 162.500 > 105 109 Dy 0.44653819088425 0.37500000000000 0.00000000000000 162.500 > 109 110 Dy 0.94653819088425 0.37500000000000 0.00000000000000 162.500 > 109 111 Dy 0.44653819088425 0.87500000000000 0.00000000000000 162.500 > 109 112 Dy 0.94653819088425 0.87500000000000 0.00000000000000 162.500 > 109 113 Dy 0.18417475732040 0.26427997703568 0.75000000000000 162.500 > 113 114 Dy 0.68417475732040 0.26427997703568 0.75000000000000 162.500 > 113 115 Dy 0.18417475732040 0.76427997703568 0.75000000000000 162.500 > 113 116 Dy 0.68417475732040 0.76427997703568 0.75000000000000 162.500 > 113 117 Dy 0.18417475732040 0.48572002296432 0.25000000000000 162.500 > 117 118 Dy 0.68417475732040 0.48572002296432 0.25000000000000 162.500 > 117 119 Dy 0.18417475732040 0.98572002296432 0.25000000000000 162.500 > 117 120 Dy 0.68417475732040 0.98572002296432 0.25000000000000 162.500 > 117 121 Dy 0.31582524267960 0.01427997703568 0.75000000000000 162.500 > 121 122 Dy 0.81582524267960 0.01427997703568 0.75000000000000 162.500 > 121 123 Dy 0.31582524267960 0.51427997703568 0.75000000000000 162.500 > 121 124 Dy 0.81582524267960 0.51427997703568 0.75000000000000 162.500 > 121 125 Dy 0.31582524267960 0.23572002296432 0.25000000000000 162.500 > 125 126 Dy 0.81582524267960 0.23572002296432 0.25000000000000 162.500 > 125 127 Dy 0.31582524267960 0.73572002296432 0.25000000000000 162.500 > 125 128 Dy 0.81582524267960 0.73572002296432 0.25000000000000 162.500 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2754407 0.0000000 0.0000000 0.0000000 5.5737992 0.0000000 0.0000000 0.0000000 5.2859970 -------------------------- Born effective charges -------------------------- 1 O -2.1189432 -0.2058339 0.0787519 -0.3251528 -2.5327190 -0.1899373 0.0846202 -0.1335352 -2.3407125 2 O -2.1189432 0.2058339 -0.0787519 0.3251528 -2.5327190 -0.1899373 -0.0846202 -0.1335352 -2.3407125 3 O -2.1189432 0.2058339 0.0787519 0.3251528 -2.5327190 0.1899373 0.0846202 0.1335352 -2.3407125 4 O -2.1189432 -0.2058339 -0.0787519 -0.3251528 -2.5327190 0.1899373 -0.0846202 0.1335352 -2.3407125 5 O -2.1189432 -0.2058339 0.0787519 -0.3251528 -2.5327190 -0.1899373 0.0846202 -0.1335352 -2.3407125 6 O -2.1189432 0.2058339 -0.0787519 0.3251528 -2.5327190 -0.1899373 -0.0846202 -0.1335352 -2.3407125 7 O -2.1189432 0.2058339 0.0787519 0.3251528 -2.5327190 0.1899373 0.0846202 0.1335352 -2.3407125 8 O -2.1189432 -0.2058339 -0.0787519 -0.3251528 -2.5327190 0.1899373 -0.0846202 0.1335352 -2.3407125 9 O -2.6493219 0.3344342 -0.0227668 0.1940675 -1.9449182 0.1436081 0.0640522 0.0607394 -2.3867310 10 O -2.6493219 0.3344342 0.0227668 0.1940675 -1.9449182 -0.1436081 -0.0640522 -0.0607394 -2.3867310 11 O -2.6493219 -0.3344342 -0.0227668 -0.1940675 -1.9449182 -0.1436081 0.0640522 -0.0607394 -2.3867310 12 O -2.6493219 0.3344342 0.0227668 0.1940675 -1.9449182 -0.1436081 -0.0640522 -0.0607394 -2.3867310 13 O -2.6493219 0.3344342 -0.0227668 0.1940675 -1.9449182 0.1436081 0.0640522 0.0607394 -2.3867310 14 O -2.6493219 -0.3344342 0.0227668 -0.1940675 -1.9449182 0.1436081 -0.0640522 0.0607394 -2.3867310 15 O -2.6493219 -0.3344342 -0.0227668 -0.1940675 -1.9449182 -0.1436081 0.0640522 -0.0607394 -2.3867310 16 O -2.6493219 -0.3344342 0.0227668 -0.1940675 -1.9449182 0.1436081 -0.0640522 0.0607394 -2.3867310 17 Si 3.7746661 0.0000000 0.0000000 -0.0000000 2.7145219 -0.0045347 0.0000000 -0.1848366 3.7021087 18 Si 3.7746661 0.0000000 0.0000000 -0.0000000 2.7145219 -0.0045347 0.0000000 -0.1848366 3.7021087 19 Si 3.7746661 0.0000000 0.0000000 -0.0000000 2.7145219 0.0045347 0.0000000 0.1848366 3.7021087 20 Si 3.7746661 0.0000000 0.0000000 -0.0000000 2.7145219 0.0045347 0.0000000 0.1848366 3.7021087 21 Se -2.2535998 0.3452573 0.0000000 0.3880843 -2.1229957 0.0000000 0.0000000 0.0000000 -2.0936231 22 Se -2.2535998 -0.3452573 0.0000000 -0.3880843 -2.1229957 0.0000000 0.0000000 0.0000000 -2.0936231 23 Se -2.2535998 -0.3452573 0.0000000 -0.3880843 -2.1229957 0.0000000 0.0000000 0.0000000 -2.0936231 24 Se -2.2535998 0.3452573 0.0000000 0.3880843 -2.1229957 0.0000000 0.0000000 0.0000000 -2.0936231 25 Dy 3.8012606 0.0000000 0.0000000 -0.0000000 4.2357388 -0.0398012 0.0000000 0.1781579 4.2686783 26 Dy 3.8012606 0.0000000 0.0000000 -0.0000000 4.2357388 0.0398012 0.0000000 -0.1781579 4.2686783 27 Dy 3.8012606 0.0000000 0.0000000 -0.0000000 4.2357388 -0.0398012 0.0000000 0.1781579 4.2686783 28 Dy 3.8012606 0.0000000 0.0000000 -0.0000000 4.2357388 0.0398012 0.0000000 -0.1781579 4.2686783 29 Dy 4.2142032 -0.2311737 0.0000000 -0.1145960 4.1280095 0.0000000 0.0000000 0.0000000 3.5777232 30 Dy 4.2142032 0.2311737 0.0000000 0.1145960 4.1280095 0.0000000 0.0000000 0.0000000 3.5777232 31 Dy 4.2142032 0.2311737 0.0000000 0.1145960 4.1280095 0.0000000 0.0000000 0.0000000 3.5777232 32 Dy 4.2142032 -0.2311737 0.0000000 -0.1145960 4.1280095 0.0000000 0.0000000 0.0000000 3.5777232 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yxy) 0.00000003 (yxy) 0.00000003 (yyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 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: 0.55, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.869 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.194 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.868 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 0.000) 0.000 4.042 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.769 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.059 ( 0.000 0.000 0.000) 0.000 5.076 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 6.764 ( 0.000 0.000 0.000) 0.000 6.914 ( 0.000 0.000 0.000) 0.000 7.074 ( 0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.463 ( 0.000 0.000 0.000) 0.000 7.515 ( 0.000 0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 7.822 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.364 ( 0.000 0.000 0.000) 0.000 8.521 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.531 ( 0.000 0.000 0.000) 0.000 9.593 ( 0.000 0.000 0.000) 0.000 9.634 ( 0.000 0.000 0.000) 0.000 9.922 ( 0.000 0.000 0.000) 0.000 10.579 ( 0.000 0.000 0.000) 0.000 10.582 ( 0.000 0.000 0.000) 0.000 10.587 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.092 ( 0.000 0.000 0.000) 0.000 11.375 ( 0.000 0.000 0.000) 0.000 11.535 ( 0.000 0.000 0.000) 0.000 11.693 ( 0.000 0.000 0.000) 0.000 12.610 ( 0.000 0.000 0.000) 0.000 12.778 ( 0.000 0.000 0.000) 0.000 13.080 ( 0.000 0.000 0.000) 0.000 13.118 ( 0.000 0.000 0.000) 0.000 13.732 ( 0.000 0.000 0.000) 0.000 14.860 ( 0.000 0.000 0.000) 0.000 15.045 ( 0.000 0.000 0.000) 0.000 15.182 ( 0.000 0.000 0.000) 0.000 15.375 ( 0.000 0.000 0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 15.928 ( 0.000 0.000 0.000) 0.000 16.281 ( 0.000 0.000 0.000) 0.000 16.369 ( 0.000 0.000 0.000) 0.000 16.459 ( 0.000 0.000 0.000) 0.000 17.171 ( 0.000 0.000 0.000) 0.000 24.445 ( 0.000 0.000 0.000) 0.000 24.566 ( 0.000 0.000 0.000) 0.000 24.693 ( 0.000 0.000 0.000) 0.000 24.882 ( 0.000 0.000 0.000) 0.000 24.906 ( 0.000 0.000 0.000) 0.000 25.030 ( 0.000 0.000 0.000) 0.000 25.431 ( 0.000 0.000 0.000) 0.000 25.767 ( 0.000 0.000 0.000) 0.000 27.421 ( 0.000 0.000 0.000) 0.000 27.448 ( 0.000 0.000 0.000) 0.000 27.595 ( 0.000 0.000 0.000) 0.000 27.661 ( 0.000 0.000 0.000) 0.000 27.754 ( 0.000 0.000 0.000) 0.000 27.824 ( 0.000 0.000 0.000) 0.000 27.852 ( 0.000 0.000 0.000) 0.000 28.756 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 24.887 0.000 0.000) 24.887 0.615 ( 28.818 0.000 0.000) 28.818 1.125 ( 49.095 0.000 0.000) 49.095 1.306 ( 0.708 0.000 0.000) 0.708 1.659 ( 3.898 0.000 0.000) 3.898 1.754 ( -8.674 0.000 0.000) 8.674 1.948 ( 2.418 0.000 0.000) 2.418 2.118 ( -4.420 0.000 0.000) 4.420 2.119 ( 3.297 0.000 0.000) 3.297 2.804 ( 19.077 0.000 0.000) 19.077 2.832 ( -8.974 0.000 0.000) 8.974 2.903 ( 1.136 0.000 0.000) 1.136 3.189 ( -8.093 0.000 0.000) 8.093 3.202 ( 4.230 0.000 0.000) 4.230 3.235 ( 0.280 0.000 0.000) 0.280 3.343 ( 8.602 0.000 0.000) 8.602 3.429 ( 2.897 0.000 0.000) 2.897 3.507 ( 2.529 0.000 0.000) 2.529 3.617 ( 13.334 0.000 0.000) 13.334 3.678 ( -3.465 0.000 0.000) 3.465 3.776 ( -0.852 0.000 0.000) 0.852 3.855 ( -0.843 0.000 0.000) 0.843 3.875 ( -0.296 0.000 0.000) 0.296 3.906 ( 4.252 0.000 0.000) 4.252 4.016 ( -0.853 0.000 0.000) 0.853 4.147 ( 7.885 0.000 0.000) 7.885 4.154 ( 12.844 0.000 0.000) 12.844 4.338 ( 13.057 0.000 0.000) 13.057 4.461 ( -1.242 0.000 0.000) 1.242 4.699 ( -0.497 0.000 0.000) 0.497 4.794 ( 1.879 0.000 0.000) 1.879 4.847 ( 1.086 0.000 0.000) 1.086 5.036 ( 1.959 0.000 0.000) 1.959 5.071 ( 1.600 0.000 0.000) 1.600 5.199 ( -7.731 0.000 0.000) 7.731 5.611 ( 4.348 0.000 0.000) 4.348 6.697 ( -4.387 0.000 0.000) 4.387 6.914 ( -0.437 0.000 0.000) 0.437 7.102 ( -1.373 0.000 0.000) 1.373 7.108 ( 1.826 0.000 0.000) 1.826 7.443 ( -1.946 0.000 0.000) 1.946 7.509 ( -0.754 0.000 0.000) 0.754 7.646 ( 0.728 0.000 0.000) 0.728 7.791 ( -0.400 0.000 0.000) 0.400 7.830 ( -0.316 0.000 0.000) 0.316 7.900 ( 4.699 0.000 0.000) 4.699 8.022 ( -3.597 0.000 0.000) 3.597 8.028 ( 0.944 0.000 0.000) 0.944 8.425 ( 5.364 0.000 0.000) 5.364 8.432 ( -6.112 0.000 0.000) 6.112 8.891 ( 6.338 0.000 0.000) 6.338 8.932 ( -4.246 0.000 0.000) 4.246 9.499 ( -2.913 0.000 0.000) 2.913 9.566 ( -2.624 0.000 0.000) 2.624 9.695 ( 5.197 0.000 0.000) 5.197 9.931 ( 0.802 0.000 0.000) 0.802 10.408 ( -10.818 0.000 0.000) 10.818 10.533 ( -4.029 0.000 0.000) 4.029 10.578 ( 0.334 0.000 0.000) 0.334 10.609 ( 0.235 0.000 0.000) 0.235 11.020 ( -6.735 0.000 0.000) 6.735 11.076 ( 4.239 0.000 0.000) 4.239 11.435 ( 4.606 0.000 0.000) 4.606 11.482 ( -8.385 0.000 0.000) 8.385 11.712 ( 1.771 0.000 0.000) 1.771 12.494 ( -8.178 0.000 0.000) 8.178 12.749 ( -2.641 0.000 0.000) 2.641 13.009 ( -9.354 0.000 0.000) 9.354 13.204 ( 9.016 0.000 0.000) 9.016 13.688 ( -4.197 0.000 0.000) 4.197 14.777 ( -8.381 0.000 0.000) 8.381 15.071 ( 4.432 0.000 0.000) 4.432 15.184 ( 0.197 0.000 0.000) 0.197 15.533 ( -12.643 0.000 0.000) 12.643 15.860 ( -6.198 0.000 0.000) 6.198 16.425 ( 2.475 0.000 0.000) 2.475 16.436 ( -2.019 0.000 0.000) 2.019 16.443 ( 13.166 0.000 0.000) 13.166 16.670 ( 16.334 0.000 0.000) 16.334 17.169 ( -0.230 0.000 0.000) 0.230 24.447 ( 0.215 0.000 0.000) 0.215 24.577 ( 1.087 0.000 0.000) 1.087 24.689 ( -0.378 0.000 0.000) 0.378 24.878 ( -1.258 0.000 0.000) 1.258 24.969 ( 1.949 0.000 0.000) 1.949 25.026 ( -0.376 0.000 0.000) 0.376 25.404 ( -2.054 0.000 0.000) 2.054 25.776 ( 0.316 0.000 0.000) 0.316 27.303 ( -8.109 0.000 0.000) 8.109 27.420 ( -0.036 0.000 0.000) 0.036 27.658 ( -0.277 0.000 0.000) 0.277 27.735 ( -1.733 0.000 0.000) 1.733 27.762 ( -5.428 0.000 0.000) 5.428 27.777 ( 11.352 0.000 0.000) 11.352 28.637 ( -10.413 0.000 0.000) 10.413 29.405 ( 3.488 0.000 0.000) 3.488 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 19.987 0.000 0.000) 19.987 1.184 ( 24.064 0.000 0.000) 24.064 1.329 ( 1.968 0.000 0.000) 1.968 1.562 ( -6.958 0.000 0.000) 6.958 1.772 ( 6.818 0.000 0.000) 6.818 1.920 ( 23.523 0.000 0.000) 23.523 1.970 ( -0.613 0.000 0.000) 0.613 2.094 ( 2.229 0.000 0.000) 2.229 2.216 ( 5.768 0.000 0.000) 5.768 2.614 ( -10.625 0.000 0.000) 10.625 2.957 ( -13.538 0.000 0.000) 13.538 2.982 ( 8.109 0.000 0.000) 8.109 3.176 ( -8.354 0.000 0.000) 8.354 3.245 ( 0.492 0.000 0.000) 0.492 3.257 ( 20.668 0.000 0.000) 20.668 3.504 ( 4.658 0.000 0.000) 4.658 3.549 ( 0.981 0.000 0.000) 0.981 3.594 ( 14.059 0.000 0.000) 14.059 3.652 ( 1.237 0.000 0.000) 1.237 3.782 ( 1.240 0.000 0.000) 1.240 3.835 ( 0.754 0.000 0.000) 0.754 3.914 ( 4.106 0.000 0.000) 4.106 3.933 ( 6.975 0.000 0.000) 6.975 3.976 ( 2.376 0.000 0.000) 2.376 4.080 ( 14.418 0.000 0.000) 14.418 4.347 ( 9.996 0.000 0.000) 9.996 4.399 ( 8.672 0.000 0.000) 8.672 4.422 ( -2.396 0.000 0.000) 2.396 4.525 ( -0.163 0.000 0.000) 0.163 4.704 ( 1.179 0.000 0.000) 1.179 4.834 ( 1.765 0.000 0.000) 1.765 4.877 ( 1.632 0.000 0.000) 1.632 5.085 ( 2.390 0.000 0.000) 2.390 5.169 ( 8.168 0.000 0.000) 8.168 5.181 ( 10.605 0.000 0.000) 10.605 5.748 ( 8.786 0.000 0.000) 8.786 6.638 ( -0.608 0.000 0.000) 0.608 6.900 ( -0.693 0.000 0.000) 0.693 7.079 ( -0.420 0.000 0.000) 0.420 7.105 ( -2.437 0.000 0.000) 2.437 7.382 ( -3.761 0.000 0.000) 3.761 7.476 ( -2.455 0.000 0.000) 2.455 7.658 ( 0.244 0.000 0.000) 0.244 7.785 ( -0.295 0.000 0.000) 0.295 7.820 ( -0.493 0.000 0.000) 0.493 7.929 ( -4.585 0.000 0.000) 4.585 7.974 ( 1.753 0.000 0.000) 1.753 8.052 ( 1.172 0.000 0.000) 1.172 8.323 ( -3.871 0.000 0.000) 3.871 8.549 ( 5.536 0.000 0.000) 5.536 8.839 ( -4.077 0.000 0.000) 4.077 9.018 ( 5.431 0.000 0.000) 5.431 9.419 ( -4.274 0.000 0.000) 4.274 9.481 ( -5.553 0.000 0.000) 5.553 9.831 ( 7.464 0.000 0.000) 7.464 9.952 ( 1.095 0.000 0.000) 1.095 10.108 ( -17.335 0.000 0.000) 17.335 10.435 ( -4.646 0.000 0.000) 4.646 10.601 ( -0.735 0.000 0.000) 0.735 10.614 ( 2.839 0.000 0.000) 2.839 10.823 ( -11.421 0.000 0.000) 11.421 11.192 ( 6.322 0.000 0.000) 6.322 11.263 ( -11.381 0.000 0.000) 11.381 11.519 ( 2.636 0.000 0.000) 2.636 11.761 ( 2.673 0.000 0.000) 2.673 12.346 ( -5.233 0.000 0.000) 5.233 12.676 ( -4.134 0.000 0.000) 4.134 12.786 ( -10.593 0.000 0.000) 10.593 13.382 ( 7.155 0.000 0.000) 7.155 13.564 ( -7.138 0.000 0.000) 7.138 14.585 ( -8.375 0.000 0.000) 8.375 15.190 ( 0.289 0.000 0.000) 0.289 15.201 ( 6.775 0.000 0.000) 6.775 15.311 ( -7.757 0.000 0.000) 7.757 15.691 ( -9.176 0.000 0.000) 9.176 16.382 ( -2.955 0.000 0.000) 2.955 16.478 ( 2.479 0.000 0.000) 2.479 16.735 ( 13.138 0.000 0.000) 13.138 17.012 ( 14.703 0.000 0.000) 14.703 17.159 ( -0.646 0.000 0.000) 0.646 24.454 ( 0.483 0.000 0.000) 0.483 24.607 ( 1.616 0.000 0.000) 1.616 24.677 ( -0.741 0.000 0.000) 0.741 24.867 ( 0.228 0.000 0.000) 0.228 25.000 ( 0.930 0.000 0.000) 0.930 25.015 ( -0.588 0.000 0.000) 0.588 25.371 ( -0.642 0.000 0.000) 0.642 25.753 ( -2.937 0.000 0.000) 2.937 27.156 ( -5.761 0.000 0.000) 5.761 27.418 ( -0.192 0.000 0.000) 0.192 27.624 ( -7.052 0.000 0.000) 7.052 27.651 ( -0.265 0.000 0.000) 0.265 27.686 ( -2.793 0.000 0.000) 2.793 28.004 ( 9.743 0.000 0.000) 9.743 28.381 ( -12.454 0.000 0.000) 12.454 29.491 ( 4.233 0.000 0.000) 4.233 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 2.683 0.000 0.000) 2.683 1.362 ( -2.243 0.000 0.000) 2.243 1.463 ( 9.792 0.000 0.000) 9.792 1.734 ( 17.144 0.000 0.000) 17.144 1.954 ( -0.458 0.000 0.000) 0.458 1.957 ( 11.325 0.000 0.000) 11.325 2.167 ( 4.902 0.000 0.000) 4.902 2.170 ( 4.385 0.000 0.000) 4.385 2.304 ( 1.575 0.000 0.000) 1.575 2.435 ( -4.595 0.000 0.000) 4.595 2.642 ( -16.024 0.000 0.000) 16.024 2.903 ( -16.317 0.000 0.000) 16.317 3.196 ( 8.600 0.000 0.000) 8.600 3.255 ( 0.875 0.000 0.000) 0.875 3.556 ( 0.045 0.000 0.000) 0.045 3.587 ( 10.748 0.000 0.000) 10.748 3.588 ( 2.843 0.000 0.000) 2.843 3.703 ( 2.602 0.000 0.000) 2.602 3.809 ( 1.047 0.000 0.000) 1.047 3.825 ( 6.121 0.000 0.000) 6.121 3.833 ( -0.815 0.000 0.000) 0.815 3.987 ( 2.245 0.000 0.000) 2.245 4.008 ( 0.825 0.000 0.000) 0.825 4.064 ( 8.512 0.000 0.000) 8.512 4.358 ( -5.557 0.000 0.000) 5.557 4.369 ( -2.316 0.000 0.000) 2.316 4.508 ( 4.540 0.000 0.000) 4.540 4.531 ( 5.740 0.000 0.000) 5.740 4.577 ( 19.207 0.000 0.000) 19.207 4.760 ( 4.099 0.000 0.000) 4.099 4.861 ( 0.550 0.000 0.000) 0.550 4.907 ( 1.068 0.000 0.000) 1.068 5.123 ( 1.129 0.000 0.000) 1.129 5.355 ( 7.649 0.000 0.000) 7.649 5.506 ( 14.602 0.000 0.000) 14.602 5.950 ( 8.746 0.000 0.000) 8.746 6.679 ( 4.246 0.000 0.000) 4.246 6.883 ( -1.430 0.000 0.000) 1.430 7.018 ( -4.893 0.000 0.000) 4.893 7.090 ( 1.414 0.000 0.000) 1.414 7.294 ( -4.317 0.000 0.000) 4.317 7.417 ( -2.635 0.000 0.000) 2.635 7.655 ( -0.312 0.000 0.000) 0.312 7.787 ( 0.953 0.000 0.000) 0.953 7.825 ( 1.497 0.000 0.000) 1.497 7.854 ( -2.350 0.000 0.000) 2.350 7.962 ( -2.748 0.000 0.000) 2.748 8.067 ( -0.108 0.000 0.000) 0.108 8.271 ( -1.341 0.000 0.000) 1.341 8.639 ( 2.963 0.000 0.000) 2.963 8.772 ( -2.217 0.000 0.000) 2.217 9.109 ( 3.088 0.000 0.000) 3.088 9.345 ( -6.532 0.000 0.000) 6.532 9.348 ( -1.795 0.000 0.000) 1.795 9.729 ( -17.130 0.000 0.000) 17.130 9.971 ( 0.675 0.000 0.000) 0.675 9.988 ( 6.771 0.000 0.000) 6.771 10.368 ( -1.331 0.000 0.000) 1.331 10.582 ( -10.381 0.000 0.000) 10.381 10.587 ( -0.506 0.000 0.000) 0.506 10.671 ( 2.048 0.000 0.000) 2.048 11.052 ( -7.790 0.000 0.000) 7.790 11.316 ( 4.834 0.000 0.000) 4.834 11.539 ( -0.224 0.000 0.000) 0.224 11.813 ( 2.024 0.000 0.000) 2.024 12.280 ( -1.407 0.000 0.000) 1.407 12.593 ( -3.335 0.000 0.000) 3.335 12.608 ( -5.871 0.000 0.000) 5.871 13.423 ( -5.478 0.000 0.000) 5.478 13.491 ( 3.277 0.000 0.000) 3.277 14.453 ( -4.115 0.000 0.000) 4.115 15.195 ( 0.213 0.000 0.000) 0.213 15.206 ( -2.756 0.000 0.000) 2.756 15.321 ( 4.208 0.000 0.000) 4.208 15.514 ( -6.826 0.000 0.000) 6.826 16.325 ( -2.167 0.000 0.000) 2.167 16.522 ( 1.610 0.000 0.000) 1.610 16.954 ( 7.349 0.000 0.000) 7.349 17.145 ( -0.654 0.000 0.000) 0.654 17.253 ( 7.949 0.000 0.000) 7.949 24.466 ( 0.537 0.000 0.000) 0.537 24.638 ( 1.215 0.000 0.000) 1.215 24.660 ( -0.743 0.000 0.000) 0.743 24.883 ( 1.066 0.000 0.000) 1.066 25.004 ( -0.473 0.000 0.000) 0.473 25.007 ( -0.111 0.000 0.000) 0.111 25.392 ( 2.790 0.000 0.000) 2.790 25.651 ( -6.344 0.000 0.000) 6.344 27.064 ( -2.990 0.000 0.000) 2.990 27.413 ( -0.238 0.000 0.000) 0.238 27.495 ( -4.696 0.000 0.000) 4.696 27.630 ( -2.177 0.000 0.000) 2.177 27.648 ( -0.095 0.000 0.000) 0.095 28.166 ( 5.425 0.000 0.000) 5.425 28.169 ( -7.063 0.000 0.000) 7.063 29.566 ( 2.641 0.000 0.000) 2.641 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.000 0.000 0.000) 0.000 1.337 ( 0.000 0.000 0.000) 0.000 1.574 ( 0.000 0.000 0.000) 0.000 1.934 ( -0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 2.185 ( -0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.312 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.530 ( -0.000 0.000 0.000) 0.000 2.570 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.812 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 4.016 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.777 ( -0.000 0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.386 ( 0.000 0.000 0.000) 0.000 7.651 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 7.830 ( 0.000 0.000 0.000) 0.000 7.860 ( 0.000 0.000 0.000) 0.000 7.904 ( 0.000 0.000 0.000) 0.000 8.054 ( 0.000 0.000 0.000) 0.000 8.258 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 9.142 ( 0.000 0.000 0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.352 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 9.978 ( 0.000 0.000 0.000) 0.000 10.069 ( 0.000 0.000 0.000) 0.000 10.372 ( 0.000 0.000 0.000) 0.000 10.448 ( -0.000 0.000 0.000) 0.000 10.581 ( 0.000 0.000 0.000) 0.000 10.691 ( 0.000 0.000 0.000) 0.000 10.967 ( 0.000 0.000 0.000) 0.000 11.370 ( 0.000 0.000 0.000) 0.000 11.533 ( 0.000 0.000 0.000) 0.000 11.836 ( 0.000 0.000 0.000) 0.000 12.269 ( 0.000 0.000 0.000) 0.000 12.547 ( 0.000 0.000 0.000) 0.000 12.554 ( 0.000 0.000 0.000) 0.000 13.362 ( 0.000 0.000 0.000) 0.000 13.524 ( 0.000 0.000 0.000) 0.000 14.411 ( 0.000 0.000 0.000) 0.000 15.179 ( 0.000 0.000 0.000) 0.000 15.198 ( 0.000 0.000 0.000) 0.000 15.366 ( 0.000 0.000 0.000) 0.000 15.438 ( 0.000 0.000 0.000) 0.000 16.301 ( 0.000 0.000 0.000) 0.000 16.540 ( 0.000 0.000 0.000) 0.000 17.032 ( 0.000 0.000 0.000) 0.000 17.137 ( 0.000 0.000 0.000) 0.000 17.337 ( 0.000 0.000 0.000) 0.000 24.472 ( 0.000 0.000 0.000) 0.000 24.651 ( 0.000 0.000 0.000) 0.000 24.652 ( 0.000 0.000 0.000) 0.000 24.897 ( -0.000 0.000 0.000) 0.000 24.998 ( 0.000 0.000 0.000) 0.000 25.004 ( 0.000 0.000 0.000) 0.000 25.460 ( 0.000 0.000 0.000) 0.000 25.541 ( 0.000 0.000 0.000) 0.000 27.033 ( 0.000 0.000 0.000) 0.000 27.410 ( 0.000 0.000 0.000) 0.000 27.444 ( 0.000 0.000 0.000) 0.000 27.606 ( 0.000 0.000 0.000) 0.000 27.647 ( 0.000 0.000 0.000) 0.000 28.095 ( 0.000 0.000 0.000) 0.000 28.224 ( 0.000 0.000 0.000) 0.000 29.595 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 0.000 26.999 0.000) 26.999 0.626 ( 0.000 29.950 0.000) 29.950 1.154 ( 0.000 52.851 0.000) 52.851 1.573 ( 0.000 23.242 0.000) 23.242 1.634 ( 0.000 1.451 0.000) 1.451 1.901 ( 0.000 2.666 0.000) 2.666 2.154 ( 0.000 5.142 0.000) 5.142 2.226 ( 0.000 3.375 0.000) 3.375 2.265 ( 0.000 5.167 0.000) 5.167 2.634 ( 0.000 4.384 0.000) 4.384 2.854 ( 0.000 -3.598 0.000) 3.598 2.957 ( 0.000 -2.278 0.000) 2.278 2.979 ( 0.000 -0.847 0.000) 0.847 3.182 ( 0.000 -0.568 0.000) 0.568 3.243 ( 0.000 -0.550 0.000) 0.550 3.257 ( 0.000 -1.892 0.000) 1.892 3.299 ( 0.000 -8.358 0.000) 8.358 3.335 ( 0.000 -3.765 0.000) 3.765 3.590 ( 0.000 3.433 0.000) 3.433 3.743 ( 0.000 -9.807 0.000) 9.807 3.758 ( 0.000 0.603 0.000) 0.603 3.791 ( 0.000 -4.931 0.000) 4.931 3.847 ( 0.000 -2.203 0.000) 2.203 3.867 ( 0.000 5.948 0.000) 5.948 3.930 ( 0.000 -0.098 0.000) 0.098 4.015 ( 0.000 -0.353 0.000) 0.353 4.089 ( 0.000 1.074 0.000) 1.074 4.152 ( 0.000 -0.803 0.000) 0.803 4.564 ( 0.000 7.480 0.000) 7.480 4.657 ( 0.000 -5.003 0.000) 5.003 4.844 ( 0.000 0.929 0.000) 0.929 4.913 ( 0.000 -8.646 0.000) 8.646 5.041 ( 0.000 0.802 0.000) 0.802 5.070 ( 0.000 0.632 0.000) 0.632 5.109 ( 0.000 2.283 0.000) 2.283 5.232 ( 0.000 -6.055 0.000) 6.055 6.832 ( 0.000 5.445 0.000) 5.445 6.950 ( 0.000 3.144 0.000) 3.144 7.085 ( 0.000 1.243 0.000) 1.243 7.454 ( 0.000 -1.439 0.000) 1.439 7.498 ( 0.000 -1.857 0.000) 1.857 7.653 ( 0.000 3.491 0.000) 3.491 7.801 ( 0.000 -4.517 0.000) 4.517 7.818 ( 0.000 5.776 0.000) 5.776 7.826 ( 0.000 0.276 0.000) 0.276 7.843 ( 0.000 3.046 0.000) 3.046 8.016 ( 0.000 -0.264 0.000) 0.264 8.367 ( 0.000 0.357 0.000) 0.357 8.591 ( 0.000 -0.489 0.000) 0.489 8.620 ( 0.000 9.503 0.000) 9.503 8.762 ( 0.000 -5.017 0.000) 5.017 8.784 ( 0.000 -1.809 0.000) 1.809 9.038 ( 0.000 5.279 0.000) 5.279 9.405 ( 0.000 -12.931 0.000) 12.931 9.575 ( 0.000 -1.658 0.000) 1.658 9.881 ( 0.000 -0.697 0.000) 0.697 9.893 ( 0.000 -2.781 0.000) 2.781 10.494 ( 0.000 -8.127 0.000) 8.127 10.585 ( 0.000 0.271 0.000) 0.271 10.629 ( 0.000 3.125 0.000) 3.125 10.955 ( 0.000 -7.001 0.000) 7.001 11.056 ( 0.000 -3.278 0.000) 3.278 11.319 ( 0.000 -8.905 0.000) 8.905 11.468 ( 0.000 -6.169 0.000) 6.169 11.732 ( 0.000 5.316 0.000) 5.316 12.748 ( 0.000 -2.978 0.000) 2.978 13.100 ( 0.000 1.661 0.000) 1.661 13.272 ( 0.000 -7.181 0.000) 7.181 13.281 ( 0.000 14.136 0.000) 14.136 14.002 ( 0.000 19.121 0.000) 19.121 14.798 ( 0.000 -6.051 0.000) 6.051 15.042 ( 0.000 -0.052 0.000) 0.052 15.157 ( 0.000 -2.271 0.000) 2.271 15.395 ( 0.000 1.599 0.000) 1.599 15.710 ( 0.000 -3.923 0.000) 3.923 16.083 ( 0.000 -3.801 0.000) 3.801 16.281 ( 0.000 0.177 0.000) 0.177 16.438 ( 0.000 6.160 0.000) 6.160 16.454 ( 0.000 -0.515 0.000) 0.515 17.152 ( 0.000 -1.895 0.000) 1.895 24.449 ( 0.000 0.450 0.000) 0.450 24.633 ( 0.000 5.705 0.000) 5.705 24.679 ( 0.000 -1.109 0.000) 1.109 24.860 ( 0.000 -1.768 0.000) 1.768 24.897 ( 0.000 -0.871 0.000) 0.871 25.031 ( 0.000 0.005 0.000) 0.005 25.810 ( 0.000 4.016 0.000) 4.016 26.422 ( 0.000 -1.647 0.000) 1.647 27.368 ( 0.000 -2.764 0.000) 2.764 27.467 ( 0.000 -6.808 0.000) 6.808 27.542 ( 0.000 6.551 0.000) 6.551 27.646 ( 0.000 -5.221 0.000) 5.221 27.790 ( 0.000 6.839 0.000) 6.839 27.793 ( 0.000 -2.820 0.000) 2.820 28.018 ( 0.000 10.647 0.000) 10.647 28.998 ( 0.000 -6.927 0.000) 6.927 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 15.768 19.082 0.000) 24.754 0.945 ( 20.009 21.765 0.000) 29.565 1.518 ( 29.254 33.355 0.000) 44.366 1.562 ( -0.766 20.018 0.000) 20.033 1.686 ( 4.592 3.902 0.000) 6.026 1.860 ( -10.688 6.947 0.000) 12.748 1.963 ( -2.014 0.437 0.000) 2.060 2.172 ( -1.479 7.689 0.000) 7.830 2.322 ( 1.692 11.326 0.000) 11.451 2.800 ( -6.415 -0.281 0.000) 6.421 2.847 ( 18.109 3.797 0.000) 18.503 2.855 ( 0.292 -4.790 0.000) 4.798 3.153 ( 2.595 -5.910 0.000) 6.455 3.184 ( -5.860 -0.208 0.000) 5.864 3.210 ( 2.750 -0.371 0.000) 2.775 3.310 ( 8.890 -1.308 0.000) 8.986 3.378 ( 5.060 -8.211 0.000) 9.645 3.409 ( 4.038 -3.605 0.000) 5.414 3.679 ( -3.754 0.018 0.000) 3.754 3.708 ( 11.009 3.595 0.000) 11.581 3.715 ( -1.459 -7.215 0.000) 7.361 3.842 ( 1.884 -4.182 0.000) 4.587 3.859 ( 1.552 2.502 0.000) 2.945 3.862 ( 1.642 -0.810 0.000) 1.831 4.029 ( 1.174 0.590 0.000) 1.314 4.074 ( 11.514 -0.836 0.000) 11.544 4.232 ( 6.322 -4.765 0.000) 7.916 4.233 ( 9.816 1.955 0.000) 10.008 4.581 ( 1.738 7.207 0.000) 7.413 4.680 ( 1.745 -3.558 0.000) 3.963 4.833 ( -2.512 2.110 0.000) 3.280 4.860 ( 0.075 2.004 0.000) 2.005 4.946 ( 2.431 -6.550 0.000) 6.986 5.104 ( 2.199 1.644 0.000) 2.746 5.152 ( -5.413 -3.764 0.000) 6.593 5.414 ( 12.394 -9.393 0.000) 15.552 6.750 ( -5.052 4.528 0.000) 6.784 6.957 ( -0.337 3.299 0.000) 3.317 7.125 ( 2.023 2.040 0.000) 2.873 7.400 ( -14.727 11.354 0.000) 18.596 7.443 ( -2.875 0.256 0.000) 2.887 7.483 ( -1.145 -2.135 0.000) 2.423 7.718 ( -0.813 7.310 0.000) 7.355 7.834 ( -0.128 2.406 0.000) 2.409 7.866 ( 0.366 1.419 0.000) 1.465 7.876 ( 3.095 -1.024 0.000) 3.260 8.005 ( -2.052 -0.712 0.000) 2.172 8.074 ( -7.580 4.881 0.000) 9.015 8.402 ( 2.106 -0.933 0.000) 2.304 8.546 ( -3.603 9.515 0.000) 10.174 8.883 ( 6.518 -1.168 0.000) 6.622 8.957 ( -2.958 2.151 0.000) 3.657 9.348 ( 1.843 -12.060 0.000) 12.200 9.531 ( -3.828 -2.567 0.000) 4.609 9.557 ( 12.997 -18.381 0.000) 22.512 9.918 ( 2.151 -1.469 0.000) 2.605 9.947 ( 2.136 -11.953 0.000) 12.142 10.480 ( -1.468 -5.501 0.000) 5.694 10.569 ( 0.379 -1.143 0.000) 1.204 10.692 ( 3.204 5.007 0.000) 5.944 10.969 ( 1.449 -9.740 0.000) 9.847 10.987 ( -6.443 -3.235 0.000) 7.210 11.362 ( 3.459 -11.288 0.000) 11.806 11.403 ( -6.358 -5.980 0.000) 8.728 11.740 ( 0.763 4.733 0.000) 4.794 12.719 ( -2.620 -2.951 0.000) 3.947 12.721 ( -26.293 11.965 0.000) 28.887 13.182 ( 4.910 -0.803 0.000) 4.975 13.187 ( -7.966 15.105 0.000) 17.077 13.960 ( -3.949 19.059 0.000) 19.464 14.701 ( -8.422 -6.935 0.000) 10.910 15.080 ( 4.663 0.821 0.000) 4.735 15.181 ( 1.301 -0.509 0.000) 1.397 15.470 ( -11.276 -5.892 0.000) 12.723 15.835 ( 6.617 -1.958 0.000) 6.900 16.199 ( 10.960 -9.985 0.000) 14.827 16.406 ( 5.957 -1.799 0.000) 6.223 16.453 ( 4.182 0.022 0.000) 4.182 16.634 ( 16.017 0.413 0.000) 16.022 17.151 ( -0.160 -1.893 0.000) 1.899 24.449 ( 0.093 0.346 0.000) 0.359 24.641 ( 0.723 5.183 0.000) 5.234 24.676 ( -0.320 -0.887 0.000) 0.943 24.851 ( -0.206 -1.413 0.000) 1.428 24.938 ( 2.422 -1.998 0.000) 3.140 25.027 ( -0.374 0.008 0.000) 0.374 25.727 ( -12.371 10.582 0.000) 16.279 25.908 ( -11.968 14.533 0.000) 18.826 27.281 ( -6.758 -1.763 0.000) 6.984 27.411 ( -1.689 -2.457 0.000) 2.982 27.634 ( 3.623 1.834 0.000) 4.060 27.709 ( -3.369 -4.818 0.000) 5.879 27.737 ( -2.662 -0.869 0.000) 2.800 27.873 ( 7.528 5.962 0.000) 9.603 28.435 ( 8.396 -11.463 0.000) 14.209 29.087 ( 10.340 -14.857 0.000) 18.101 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 16.586 10.801 0.000) 19.792 1.360 ( 18.779 13.936 0.000) 23.385 1.550 ( -0.184 16.796 0.000) 16.797 1.606 ( -9.222 3.821 0.000) 9.982 1.819 ( 8.067 6.042 0.000) 10.079 1.985 ( 3.523 0.956 0.000) 3.650 2.029 ( 10.729 11.848 0.000) 15.984 2.170 ( 2.736 7.793 0.000) 8.259 2.359 ( -0.508 6.511 0.000) 6.531 2.650 ( -5.868 4.231 0.000) 7.234 2.941 ( 6.702 -1.320 0.000) 6.831 2.964 ( -11.051 0.795 0.000) 11.080 3.155 ( -0.045 -4.051 0.000) 4.052 3.243 ( -1.580 2.204 0.000) 2.712 3.305 ( 17.971 4.276 0.000) 18.473 3.477 ( 4.655 -7.169 0.000) 8.548 3.487 ( 3.634 -3.310 0.000) 4.915 3.546 ( 13.751 -3.943 0.000) 14.305 3.626 ( -1.024 0.088 0.000) 1.028 3.719 ( 2.130 -4.930 0.000) 5.370 3.857 ( 0.638 -0.532 0.000) 0.831 3.889 ( 2.185 -4.298 0.000) 4.822 3.938 ( 4.990 3.108 0.000) 5.878 4.039 ( 6.744 4.520 0.000) 8.119 4.077 ( 13.396 1.014 0.000) 13.434 4.333 ( 11.909 -0.852 0.000) 11.940 4.334 ( 2.935 -5.256 0.000) 6.020 4.412 ( 6.433 0.900 0.000) 6.496 4.579 ( -4.395 2.901 0.000) 5.266 4.727 ( 2.817 1.172 0.000) 3.052 4.828 ( 1.233 0.066 0.000) 1.235 4.883 ( 1.618 0.420 0.000) 1.672 5.040 ( 5.384 -3.683 0.000) 6.523 5.180 ( 11.300 -0.211 0.000) 11.302 5.194 ( 7.207 1.699 0.000) 7.404 5.633 ( 10.128 -8.864 0.000) 13.459 6.681 ( -1.088 3.852 0.000) 4.002 6.937 ( -1.433 2.378 0.000) 2.776 7.126 ( -1.851 3.010 0.000) 3.533 7.185 ( -5.790 7.644 0.000) 9.589 7.389 ( -3.369 0.082 0.000) 3.370 7.450 ( -2.169 -1.971 0.000) 2.931 7.707 ( -0.559 5.467 0.000) 5.495 7.818 ( -1.172 1.098 0.000) 1.606 7.856 ( -1.066 0.651 0.000) 1.249 7.908 ( -4.802 -0.830 0.000) 4.873 7.937 ( 2.077 -1.825 0.000) 2.766 8.046 ( 0.642 0.244 0.000) 0.687 8.390 ( -2.363 4.174 0.000) 4.797 8.545 ( 2.277 2.543 0.000) 3.413 8.888 ( -3.189 4.614 0.000) 5.609 9.001 ( 4.003 -3.344 0.000) 5.216 9.323 ( -2.631 -8.826 0.000) 9.209 9.436 ( -4.684 -1.921 0.000) 5.063 9.675 ( -2.264 -20.833 0.000) 20.956 9.923 ( -0.569 -2.693 0.000) 2.753 9.969 ( 2.440 0.601 0.000) 2.513 10.432 ( -2.877 -0.769 0.000) 2.978 10.581 ( 0.695 -0.485 0.000) 0.848 10.740 ( 1.493 6.481 0.000) 6.651 10.796 ( -10.967 -2.434 0.000) 11.234 11.026 ( 3.618 -15.939 0.000) 16.344 11.217 ( -10.328 -4.209 0.000) 11.153 11.428 ( 2.157 -13.500 0.000) 13.671 11.759 ( 0.894 3.294 0.000) 3.413 12.338 ( -11.815 5.210 0.000) 12.913 12.646 ( -4.087 -2.868 0.000) 4.993 13.005 ( -8.230 17.636 0.000) 19.461 13.295 ( 5.067 -4.378 0.000) 6.696 13.846 ( -6.593 18.801 0.000) 19.923 14.519 ( -7.685 -6.072 0.000) 9.794 15.184 ( 1.920 -0.048 0.000) 1.921 15.223 ( 4.926 1.278 0.000) 5.089 15.256 ( -7.616 -4.944 0.000) 9.080 15.777 ( -7.273 7.454 0.000) 10.414 16.386 ( -2.261 0.432 0.000) 2.302 16.407 ( 7.388 -5.434 0.000) 9.172 16.697 ( 12.306 -3.368 0.000) 12.758 16.977 ( 14.872 -2.550 0.000) 15.089 17.143 ( -0.583 -1.813 0.000) 1.904 24.454 ( 0.340 0.097 0.000) 0.354 24.656 ( 0.112 0.824 0.000) 0.831 24.670 ( 0.320 2.765 0.000) 2.783 24.856 ( 0.731 -0.740 0.000) 1.041 24.976 ( 1.166 -2.053 0.000) 2.361 25.016 ( -0.581 0.016 0.000) 0.582 25.506 ( -5.967 10.237 0.000) 11.849 25.800 ( -4.472 4.133 0.000) 6.089 27.148 ( -5.431 -0.679 0.000) 5.473 27.382 ( -1.222 -3.758 0.000) 3.952 27.591 ( -6.305 -2.862 0.000) 6.924 27.677 ( -3.409 -1.388 0.000) 3.681 27.682 ( 1.470 3.890 0.000) 4.159 28.053 ( 8.506 3.684 0.000) 9.269 28.363 ( -8.407 -0.674 0.000) 8.434 29.305 ( 8.309 -14.728 0.000) 16.910 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 6.516 10.548 0.000) 12.399 1.426 ( -4.072 5.523 0.000) 6.862 1.573 ( 2.979 9.982 0.000) 10.417 1.770 ( 15.102 2.214 0.000) 15.263 2.020 ( 1.631 5.051 0.000) 5.308 2.030 ( 12.215 7.907 0.000) 14.551 2.127 ( 1.519 1.304 0.000) 2.002 2.244 ( 0.565 2.872 0.000) 2.927 2.301 ( -1.400 4.773 0.000) 4.974 2.566 ( -2.136 5.146 0.000) 5.572 2.685 ( -14.670 4.081 0.000) 15.227 2.900 ( -9.850 1.357 0.000) 9.943 3.209 ( 2.153 -1.852 0.000) 2.840 3.260 ( 4.139 3.182 0.000) 5.221 3.518 ( 3.492 -7.029 0.000) 7.848 3.545 ( 1.804 -3.569 0.000) 3.999 3.575 ( 1.778 1.416 0.000) 2.273 3.684 ( 7.552 0.377 0.000) 7.562 3.746 ( 2.514 -6.890 0.000) 7.334 3.850 ( 9.733 1.355 0.000) 9.827 3.852 ( -0.776 0.201 0.000) 0.802 3.940 ( 2.389 -2.944 0.000) 3.792 4.038 ( 3.956 0.543 0.000) 3.993 4.059 ( 0.137 2.679 0.000) 2.682 4.291 ( 0.415 -3.695 0.000) 3.718 4.384 ( -5.729 -0.355 0.000) 5.740 4.506 ( 4.758 0.207 0.000) 4.762 4.549 ( 6.090 0.979 0.000) 6.168 4.624 ( 17.640 4.508 0.000) 18.207 4.790 ( 3.088 2.018 0.000) 3.689 4.871 ( 2.861 1.389 0.000) 3.181 4.919 ( 1.454 0.945 0.000) 1.734 5.121 ( 2.482 -0.355 0.000) 2.508 5.373 ( 7.799 1.498 0.000) 7.941 5.502 ( 14.651 -0.884 0.000) 14.678 5.852 ( 9.381 -8.082 0.000) 12.382 6.705 ( 3.031 2.421 0.000) 3.879 6.891 ( -3.287 -0.111 0.000) 3.289 7.073 ( -2.316 6.009 0.000) 6.440 7.121 ( -0.982 2.505 0.000) 2.691 7.308 ( -3.959 0.981 0.000) 4.079 7.396 ( -2.573 -1.651 0.000) 3.057 7.696 ( -0.340 4.210 0.000) 4.224 7.798 ( -0.456 -1.004 0.000) 1.103 7.816 ( -2.285 -3.363 0.000) 4.066 7.850 ( -0.629 0.843 0.000) 1.052 7.946 ( -1.208 -0.420 0.000) 1.279 8.064 ( 0.964 0.262 0.000) 0.999 8.346 ( -1.643 6.862 0.000) 7.055 8.588 ( 1.588 -2.464 0.000) 2.931 8.829 ( -2.504 5.098 0.000) 5.680 9.027 ( -1.213 -8.547 0.000) 8.633 9.269 ( -1.739 -7.117 0.000) 7.326 9.365 ( -1.656 3.273 0.000) 3.668 9.488 ( -11.669 -18.074 0.000) 21.514 9.989 ( 4.568 0.187 0.000) 4.572 10.010 ( 1.335 2.067 0.000) 2.460 10.382 ( -1.284 1.213 0.000) 1.767 10.567 ( -9.743 -1.213 0.000) 9.818 10.606 ( 1.697 1.755 0.000) 2.442 10.756 ( -0.090 4.963 0.000) 4.964 11.022 ( -7.267 -2.554 0.000) 7.702 11.103 ( 3.225 -20.701 0.000) 20.951 11.444 ( -0.357 -13.994 0.000) 13.998 11.775 ( 0.604 2.012 0.000) 2.101 12.176 ( -4.411 -0.852 0.000) 4.492 12.564 ( -3.261 -2.720 0.000) 4.247 12.874 ( -3.991 20.119 0.000) 20.511 13.386 ( 3.702 -6.003 0.000) 7.052 13.705 ( -6.258 18.328 0.000) 19.367 14.400 ( -3.687 -5.056 0.000) 6.258 15.156 ( -2.356 -4.512 0.000) 5.090 15.195 ( 0.127 0.064 0.000) 0.142 15.327 ( 3.768 0.399 0.000) 3.789 15.623 ( -6.270 9.732 0.000) 11.577 16.343 ( -1.579 1.785 0.000) 2.384 16.516 ( 3.322 -0.498 0.000) 3.359 16.906 ( 7.069 -4.451 0.000) 8.353 17.127 ( -0.564 -1.762 0.000) 1.850 17.223 ( 7.972 -2.756 0.000) 8.435 24.463 ( 0.449 -0.152 0.000) 0.474 24.644 ( -0.683 -1.440 0.000) 1.594 24.688 ( 0.835 4.332 0.000) 4.411 24.877 ( 1.064 -0.465 0.000) 1.161 24.989 ( 0.187 -1.639 0.000) 1.650 25.005 ( -0.461 0.034 0.000) 0.462 25.458 ( 0.964 5.587 0.000) 5.670 25.678 ( -6.808 2.359 0.000) 7.205 27.061 ( -2.860 -0.269 0.000) 2.873 27.361 ( -0.739 -4.711 0.000) 4.769 27.475 ( -4.249 -1.744 0.000) 4.593 27.611 ( -2.477 -1.969 0.000) 3.165 27.704 ( 0.681 5.448 0.000) 5.490 28.198 ( 4.952 2.419 0.000) 5.511 28.206 ( -5.565 3.791 0.000) 6.733 29.428 ( 3.751 -12.129 0.000) 12.696 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.000 4.553 0.000) 4.553 1.450 ( -0.000 14.127 0.000) 14.127 1.623 ( 0.000 4.322 0.000) 4.322 1.931 ( 0.000 -0.675 0.000) 0.675 2.068 ( 0.000 11.505 0.000) 11.505 2.133 ( -0.000 -8.650 0.000) 8.650 2.225 ( 0.000 -0.468 0.000) 0.468 2.262 ( -0.000 7.873 0.000) 7.873 2.311 ( -0.000 8.436 0.000) 8.436 2.429 ( 0.000 5.704 0.000) 5.704 2.563 ( -0.000 -1.413 0.000) 1.413 2.739 ( 0.000 12.155 0.000) 12.155 3.226 ( 0.000 -2.045 0.000) 2.045 3.313 ( -0.000 1.005 0.000) 1.005 3.552 ( -0.000 -7.742 0.000) 7.742 3.564 ( 0.000 -3.913 0.000) 3.913 3.586 ( 0.000 0.426 0.000) 0.426 3.768 ( 0.000 -7.200 0.000) 7.200 3.791 ( -0.000 -1.829 0.000) 1.829 3.832 ( 0.000 4.698 0.000) 4.698 3.952 ( 0.000 5.241 0.000) 5.241 3.971 ( -0.000 -4.206 0.000) 4.206 4.060 ( -0.000 1.996 0.000) 1.996 4.082 ( 0.000 -2.666 0.000) 2.666 4.277 ( -0.000 1.474 0.000) 1.474 4.304 ( 0.000 -2.926 0.000) 2.926 4.562 ( 0.000 -3.010 0.000) 3.010 4.607 ( 0.000 3.487 0.000) 3.487 4.831 ( 0.000 -1.135 0.000) 1.135 4.856 ( 0.000 2.993 0.000) 2.993 4.918 ( 0.000 5.430 0.000) 5.430 4.932 ( -0.000 1.089 0.000) 1.089 5.149 ( 0.000 1.509 0.000) 1.509 5.465 ( 0.000 2.162 0.000) 2.162 5.669 ( -0.000 -0.657 0.000) 0.657 5.956 ( 0.000 -7.495 0.000) 7.495 6.771 ( 0.000 -0.211 0.000) 0.211 6.821 ( -0.000 0.048 0.000) 0.048 7.049 ( 0.000 7.992 0.000) 7.992 7.118 ( 0.000 0.082 0.000) 0.082 7.257 ( -0.000 1.832 0.000) 1.832 7.365 ( 0.000 -1.734 0.000) 1.734 7.693 ( 0.000 3.986 0.000) 3.986 7.792 ( 0.000 -3.475 0.000) 3.475 7.799 ( 0.000 -2.891 0.000) 2.891 7.850 ( 0.000 -1.544 0.000) 1.544 7.920 ( -0.000 1.233 0.000) 1.233 8.077 ( -0.000 1.701 0.000) 1.701 8.327 ( 0.000 7.137 0.000) 7.137 8.605 ( 0.000 -3.879 0.000) 3.879 8.795 ( 0.000 3.779 0.000) 3.779 9.003 ( 0.000 -10.231 0.000) 10.231 9.268 ( 0.000 -7.818 0.000) 7.818 9.327 ( 0.000 -12.713 0.000) 12.713 9.353 ( 0.000 5.603 0.000) 5.603 10.024 ( 0.000 2.573 0.000) 2.573 10.045 ( 0.000 -1.304 0.000) 1.304 10.383 ( 0.000 1.034 0.000) 1.034 10.442 ( -0.000 -0.211 0.000) 0.211 10.633 ( -0.000 4.180 0.000) 4.180 10.746 ( 0.000 2.427 0.000) 2.427 10.943 ( 0.000 -1.428 0.000) 1.428 11.140 ( 0.000 -22.451 0.000) 22.451 11.435 ( 0.000 -13.988 0.000) 13.988 11.782 ( 0.000 1.606 0.000) 1.606 12.133 ( 0.000 -3.114 0.000) 3.114 12.527 ( 0.000 -2.629 0.000) 2.629 12.834 ( 0.000 21.055 0.000) 21.055 13.436 ( 0.000 -8.123 0.000) 8.123 13.624 ( 0.000 19.803 0.000) 19.803 14.362 ( 0.000 -4.666 0.000) 4.666 15.136 ( -0.000 -4.266 0.000) 4.266 15.196 ( 0.000 -0.041 0.000) 0.041 15.367 ( -0.000 -0.062 0.000) 0.062 15.551 ( -0.000 10.440 0.000) 10.440 16.326 ( 0.000 2.435 0.000) 2.435 16.551 ( 0.000 0.895 0.000) 0.895 16.981 ( 0.000 -4.729 0.000) 4.729 17.120 ( 0.000 -1.703 0.000) 1.703 17.307 ( 0.000 -2.758 0.000) 2.758 24.468 ( -0.000 -0.257 0.000) 0.257 24.636 ( 0.000 -1.438 0.000) 1.438 24.697 ( 0.000 4.042 0.000) 4.042 24.891 ( -0.000 -0.553 0.000) 0.553 24.989 ( 0.000 -1.315 0.000) 1.315 25.000 ( 0.000 0.047 0.000) 0.047 25.514 ( 0.000 4.568 0.000) 4.568 25.558 ( -0.000 1.534 0.000) 1.534 27.031 ( 0.000 -0.142 0.000) 0.142 27.353 ( 0.000 -5.012 0.000) 5.012 27.428 ( 0.000 -1.315 0.000) 1.315 27.584 ( 0.000 -2.095 0.000) 2.095 27.711 ( -0.000 5.959 0.000) 5.959 28.147 ( 0.000 5.016 0.000) 5.016 28.251 ( 0.000 2.028 0.000) 2.028 29.467 ( 0.000 -11.486 0.000) 11.486 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 21.286 0.000) 21.286 1.234 ( 0.000 28.377 0.000) 28.377 1.660 ( 0.000 0.478 0.000) 0.478 1.961 ( 0.000 3.002 0.000) 3.002 2.102 ( 0.000 32.266 0.000) 32.266 2.119 ( 0.000 27.040 0.000) 27.040 2.196 ( 0.000 0.612 0.000) 0.612 2.346 ( 0.000 8.133 0.000) 8.133 2.435 ( 0.000 10.863 0.000) 10.863 2.713 ( 0.000 -8.358 0.000) 8.358 2.752 ( 0.000 6.342 0.000) 6.342 2.957 ( 0.000 -1.160 0.000) 1.160 2.981 ( 0.000 1.899 0.000) 1.899 3.135 ( 0.000 -7.117 0.000) 7.117 3.172 ( 0.000 -0.315 0.000) 0.315 3.206 ( 0.000 -3.178 0.000) 3.178 3.224 ( 0.000 -6.745 0.000) 6.745 3.243 ( 0.000 4.564 0.000) 4.564 3.517 ( 0.000 -11.214 0.000) 11.214 3.592 ( 0.000 -3.000 0.000) 3.000 3.603 ( 0.000 -11.236 0.000) 11.236 3.773 ( 0.000 0.698 0.000) 0.698 3.816 ( 0.000 -1.006 0.000) 1.006 3.904 ( 0.000 0.586 0.000) 0.586 4.049 ( 0.000 2.871 0.000) 2.871 4.070 ( 0.000 10.449 0.000) 10.449 4.074 ( 0.000 -2.363 0.000) 2.363 4.150 ( 0.000 0.465 0.000) 0.465 4.479 ( 0.000 -13.461 0.000) 13.461 4.704 ( 0.000 -9.939 0.000) 9.939 4.740 ( 0.000 8.752 0.000) 8.752 4.879 ( 0.000 2.617 0.000) 2.617 5.067 ( 0.000 1.711 0.000) 1.711 5.071 ( 0.000 -0.820 0.000) 0.820 5.105 ( 0.000 -5.432 0.000) 5.432 5.147 ( 0.000 1.034 0.000) 1.034 6.943 ( 0.000 4.564 0.000) 4.564 7.016 ( 0.000 2.376 0.000) 2.376 7.138 ( 0.000 4.081 0.000) 4.081 7.421 ( 0.000 -0.900 0.000) 0.900 7.435 ( 0.000 -4.048 0.000) 4.048 7.678 ( 0.000 -6.974 0.000) 6.974 7.770 ( 0.000 6.564 0.000) 6.564 7.838 ( 0.000 1.126 0.000) 1.126 7.911 ( 0.000 2.720 0.000) 2.720 7.953 ( 0.000 7.256 0.000) 7.256 8.003 ( 0.000 -1.010 0.000) 1.010 8.384 ( 0.000 1.490 0.000) 1.490 8.597 ( 0.000 1.360 0.000) 1.360 8.605 ( 0.000 -10.174 0.000) 10.174 8.714 ( 0.000 -5.335 0.000) 5.335 8.907 ( 0.000 17.713 0.000) 17.713 9.072 ( 0.000 -16.126 0.000) 16.126 9.210 ( 0.000 11.382 0.000) 11.382 9.544 ( 0.000 -0.518 0.000) 0.518 9.809 ( 0.000 -5.106 0.000) 5.106 9.892 ( 0.000 -0.217 0.000) 0.217 10.234 ( 0.000 -17.095 0.000) 17.095 10.592 ( 0.000 0.357 0.000) 0.357 10.686 ( 0.000 1.774 0.000) 1.774 10.808 ( 0.000 -5.021 0.000) 5.021 10.965 ( 0.000 -5.230 0.000) 5.230 11.077 ( 0.000 -12.074 0.000) 12.074 11.299 ( 0.000 -9.469 0.000) 9.469 11.931 ( 0.000 12.979 0.000) 12.979 12.651 ( 0.000 -6.428 0.000) 6.428 13.137 ( 0.000 1.629 0.000) 1.629 13.183 ( 0.000 -1.893 0.000) 1.893 13.629 ( 0.000 18.128 0.000) 18.128 14.423 ( 0.000 20.621 0.000) 20.621 14.613 ( 0.000 -11.504 0.000) 11.504 15.044 ( 0.000 0.134 0.000) 0.134 15.101 ( 0.000 -2.774 0.000) 2.774 15.389 ( 0.000 -4.654 0.000) 4.654 15.642 ( 0.000 -0.365 0.000) 0.365 15.981 ( 0.000 -5.822 0.000) 5.822 16.297 ( 0.000 1.521 0.000) 1.521 16.434 ( 0.000 -1.498 0.000) 1.498 16.602 ( 0.000 9.152 0.000) 9.152 17.088 ( 0.000 -4.359 0.000) 4.359 24.468 ( 0.000 1.524 0.000) 1.524 24.634 ( 0.000 -2.543 0.000) 2.543 24.782 ( 0.000 7.223 0.000) 7.223 24.826 ( 0.000 -1.167 0.000) 1.167 24.872 ( 0.000 -1.469 0.000) 1.469 25.025 ( 0.000 -0.770 0.000) 0.770 25.922 ( 0.000 6.517 0.000) 6.517 26.359 ( 0.000 -4.601 0.000) 4.601 27.313 ( 0.000 -2.430 0.000) 2.430 27.347 ( 0.000 -4.593 0.000) 4.593 27.572 ( 0.000 -1.802 0.000) 1.802 27.700 ( 0.000 8.143 0.000) 8.143 27.715 ( 0.000 -4.369 0.000) 4.369 27.904 ( 0.000 3.681 0.000) 3.681 28.245 ( 0.000 10.782 0.000) 10.782 28.824 ( 0.000 -9.075 0.000) 9.075 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 8.288 18.333 0.000) 20.119 1.411 ( 12.781 22.824 0.000) 26.159 1.690 ( 2.557 0.662 0.000) 2.642 1.967 ( -2.451 0.825 0.000) 2.586 1.988 ( -9.701 5.912 0.000) 11.361 2.116 ( 0.425 26.461 0.000) 26.465 2.232 ( 9.343 27.653 0.000) 29.189 2.364 ( -1.054 8.823 0.000) 8.885 2.468 ( 0.529 4.722 0.000) 4.751 2.693 ( -2.046 -8.651 0.000) 8.889 2.915 ( 1.530 6.483 0.000) 6.661 2.935 ( 13.185 3.757 0.000) 13.710 3.014 ( 1.213 -6.010 0.000) 6.131 3.190 ( 4.205 -1.795 0.000) 4.572 3.217 ( 2.341 -4.088 0.000) 4.711 3.220 ( 4.083 0.716 0.000) 4.145 3.272 ( 3.823 -6.301 0.000) 7.370 3.322 ( 5.643 2.005 0.000) 5.988 3.545 ( 3.202 -6.909 0.000) 7.615 3.602 ( 1.002 -8.870 0.000) 8.927 3.721 ( 7.489 -4.764 0.000) 8.876 3.746 ( 0.152 0.746 0.000) 0.761 3.851 ( 4.742 -1.923 0.000) 5.117 3.932 ( 4.121 3.760 0.000) 5.579 4.054 ( 0.998 2.839 0.000) 3.010 4.142 ( 6.492 5.358 0.000) 8.418 4.197 ( 3.424 0.109 0.000) 3.426 4.225 ( 10.616 -1.267 0.000) 10.691 4.547 ( 6.415 -9.935 0.000) 11.826 4.725 ( -1.654 6.907 0.000) 7.102 4.738 ( 3.638 -8.887 0.000) 9.603 4.897 ( 1.692 2.125 0.000) 2.716 4.939 ( -4.758 3.783 0.000) 6.079 5.075 ( -1.209 -3.376 0.000) 3.586 5.125 ( 2.395 0.207 0.000) 2.404 5.279 ( 7.935 -4.847 0.000) 9.298 6.857 ( -5.117 5.284 0.000) 7.355 7.007 ( -1.412 1.117 0.000) 1.800 7.204 ( 3.699 5.025 0.000) 6.239 7.413 ( -0.839 -0.686 0.000) 1.084 7.429 ( -0.636 -2.969 0.000) 3.036 7.538 ( -10.036 1.594 0.000) 10.162 7.814 ( 1.392 1.334 0.000) 1.928 7.820 ( -1.409 -0.701 0.000) 1.574 7.918 ( 0.731 2.179 0.000) 2.298 7.918 ( -2.512 4.102 0.000) 4.810 7.991 ( -2.966 0.364 0.000) 2.988 8.205 ( -11.980 5.558 0.000) 13.207 8.393 ( 0.639 0.365 0.000) 0.736 8.722 ( 0.362 -1.679 0.000) 1.718 8.912 ( 0.325 12.514 0.000) 12.518 8.921 ( 6.943 -8.987 0.000) 11.356 9.076 ( 0.233 -15.794 0.000) 15.796 9.281 ( 5.338 4.099 0.000) 6.730 9.509 ( -2.414 1.361 0.000) 2.771 9.857 ( 3.713 -4.646 0.000) 5.947 9.908 ( 1.349 0.496 0.000) 1.437 10.261 ( 2.363 -16.712 0.000) 16.878 10.558 ( -1.010 -0.089 0.000) 1.014 10.763 ( 4.702 0.744 0.000) 4.761 10.771 ( -3.420 -6.213 0.000) 7.092 10.902 ( -5.876 -4.761 0.000) 7.563 11.048 ( -2.381 -14.878 0.000) 15.068 11.251 ( -4.670 -8.486 0.000) 9.686 11.929 ( -0.221 12.426 0.000) 12.428 12.624 ( -2.496 -6.311 0.000) 6.787 12.915 ( -18.420 7.407 0.000) 19.853 13.168 ( 1.054 -1.064 0.000) 1.498 13.549 ( -6.634 18.431 0.000) 19.589 14.357 ( -5.105 18.854 0.000) 19.533 14.508 ( -8.064 -11.273 0.000) 13.860 15.098 ( 5.032 0.807 0.000) 5.096 15.159 ( 3.609 -1.536 0.000) 3.923 15.303 ( -9.819 -9.949 0.000) 13.979 15.830 ( 15.752 1.933 0.000) 15.870 16.090 ( 6.724 -3.464 0.000) 7.564 16.378 ( 5.242 -0.576 0.000) 5.273 16.442 ( 2.587 -1.012 0.000) 2.778 16.690 ( 8.794 4.919 0.000) 10.077 17.087 ( -0.119 -4.314 0.000) 4.316 24.467 ( -0.113 1.423 0.000) 1.428 24.630 ( -0.409 -2.555 0.000) 2.588 24.784 ( 0.213 6.948 0.000) 6.951 24.828 ( 0.388 -0.666 0.000) 0.771 24.894 ( 1.665 -2.107 0.000) 2.685 25.021 ( -0.364 -0.762 0.000) 0.844 25.872 ( -5.353 6.353 0.000) 8.308 26.123 ( -15.237 4.290 0.000) 15.829 27.243 ( -5.194 -1.578 0.000) 5.428 27.327 ( -1.896 -4.425 0.000) 4.814 27.600 ( -0.869 -4.458 0.000) 4.542 27.677 ( -2.771 -4.314 0.000) 5.128 27.746 ( 3.378 7.480 0.000) 8.208 27.972 ( 5.920 3.036 0.000) 6.653 28.370 ( 6.791 3.765 0.000) 7.765 28.851 ( 4.120 -9.506 0.000) 10.360 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 10.924 12.782 0.000) 16.814 1.646 ( 7.367 11.430 0.000) 13.599 1.728 ( -7.953 8.395 0.000) 11.564 1.744 ( 1.971 2.553 0.000) 3.225 2.011 ( 1.914 2.161 0.000) 2.886 2.167 ( 4.912 24.188 0.000) 24.681 2.323 ( -2.587 6.200 0.000) 6.718 2.362 ( -0.305 13.064 0.000) 13.068 2.445 ( 1.164 7.658 0.000) 7.746 2.633 ( -3.387 -5.435 0.000) 6.404 2.939 ( 0.641 -4.922 0.000) 4.964 2.997 ( -5.882 2.373 0.000) 6.343 3.121 ( 4.027 0.818 0.000) 4.109 3.282 ( 2.770 -9.039 0.000) 9.454 3.299 ( 1.446 1.452 0.000) 2.049 3.364 ( 6.138 -7.417 0.000) 9.627 3.437 ( 14.967 5.900 0.000) 16.088 3.458 ( 7.931 -2.788 0.000) 8.407 3.628 ( 1.551 -2.588 0.000) 3.018 3.675 ( 9.326 4.348 0.000) 10.290 3.730 ( 0.494 -7.597 0.000) 7.613 3.840 ( 4.034 -0.773 0.000) 4.107 4.042 ( 4.864 5.677 0.000) 7.475 4.059 ( 4.601 -2.103 0.000) 5.058 4.154 ( 13.400 3.378 0.000) 13.819 4.259 ( 2.815 -1.503 0.000) 3.191 4.325 ( 10.804 -0.117 0.000) 10.805 4.427 ( 7.871 1.089 0.000) 7.946 4.660 ( -3.440 6.164 0.000) 7.059 4.717 ( 8.635 -2.064 0.000) 8.878 4.857 ( 5.862 -2.187 0.000) 6.257 4.869 ( -1.441 1.617 0.000) 2.166 4.974 ( 5.746 -1.011 0.000) 5.835 5.157 ( 10.298 -2.687 0.000) 10.643 5.216 ( 7.001 0.106 0.000) 7.001 5.448 ( 9.155 -8.432 0.000) 12.446 6.780 ( -2.000 5.192 0.000) 5.565 6.958 ( -3.169 -0.177 0.000) 3.174 7.243 ( 0.145 6.821 0.000) 6.823 7.326 ( -8.954 5.442 0.000) 10.478 7.384 ( -2.304 -0.140 0.000) 2.308 7.408 ( -1.464 -1.942 0.000) 2.432 7.776 ( -2.628 -2.544 0.000) 3.658 7.791 ( -3.176 -3.699 0.000) 4.875 7.862 ( -6.233 1.564 0.000) 6.426 7.883 ( -1.226 2.604 0.000) 2.878 7.947 ( 1.604 0.938 0.000) 1.858 8.111 ( -0.809 5.145 0.000) 5.208 8.406 ( 0.694 -0.521 0.000) 0.868 8.718 ( -0.638 3.486 0.000) 3.544 8.898 ( -2.251 3.389 0.000) 4.069 8.965 ( -1.169 -2.737 0.000) 2.977 9.075 ( -0.340 -13.955 0.000) 13.959 9.327 ( -1.561 -1.937 0.000) 2.488 9.475 ( -0.559 5.380 0.000) 5.409 9.937 ( 3.576 -4.149 0.000) 5.478 9.950 ( 2.707 2.001 0.000) 3.366 10.321 ( 2.998 -14.557 0.000) 14.863 10.564 ( 1.384 -1.322 0.000) 1.914 10.677 ( -5.117 -10.432 0.000) 11.620 10.737 ( -9.045 -3.471 0.000) 9.688 10.836 ( 1.682 1.910 0.000) 2.545 10.997 ( -2.030 -21.453 0.000) 21.549 11.115 ( -7.641 -6.569 0.000) 10.077 11.922 ( -0.431 11.117 0.000) 11.126 12.555 ( -3.838 -5.980 0.000) 7.106 12.560 ( -13.951 13.131 0.000) 19.158 13.191 ( 0.898 -6.172 0.000) 6.237 13.404 ( -6.299 19.438 0.000) 20.433 14.232 ( -6.493 18.013 0.000) 19.148 14.346 ( -6.511 -10.331 0.000) 12.212 15.114 ( -6.958 -8.835 0.000) 11.246 15.189 ( 1.943 0.531 0.000) 2.014 15.240 ( 4.891 0.258 0.000) 4.898 15.962 ( -2.195 9.487 0.000) 9.737 16.306 ( 12.106 -3.792 0.000) 12.686 16.403 ( -0.211 1.346 0.000) 1.362 16.611 ( 9.822 -4.544 0.000) 10.822 16.932 ( 12.394 -1.460 0.000) 12.480 17.082 ( -0.339 -3.925 0.000) 3.939 24.465 ( -0.004 1.121 0.000) 1.121 24.618 ( -0.708 -2.561 0.000) 2.657 24.790 ( 0.332 6.283 0.000) 6.292 24.845 ( 1.142 -0.223 0.000) 1.164 24.927 ( 1.319 -2.427 0.000) 2.762 25.011 ( -0.561 -0.736 0.000) 0.926 25.701 ( -8.653 7.946 0.000) 11.748 25.890 ( -8.114 3.432 0.000) 8.810 27.135 ( -4.661 -0.384 0.000) 4.677 27.282 ( -2.144 -5.135 0.000) 5.565 27.525 ( -4.743 -2.906 0.000) 5.562 27.613 ( -3.442 -4.423 0.000) 5.605 27.814 ( 2.856 8.062 0.000) 8.553 28.114 ( 6.831 1.452 0.000) 6.984 28.400 ( -2.582 4.730 0.000) 5.389 28.999 ( 7.942 -13.510 0.000) 15.671 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -4.536 6.592 0.000) 8.002 1.606 ( 7.933 8.889 0.000) 11.914 1.761 ( -0.404 5.760 0.000) 5.774 1.832 ( 6.325 2.984 0.000) 6.993 2.032 ( -0.217 0.298 0.000) 0.369 2.265 ( -1.548 2.119 0.000) 2.624 2.324 ( 9.838 19.496 0.000) 21.838 2.328 ( -1.580 10.163 0.000) 10.285 2.477 ( 0.330 6.254 0.000) 6.263 2.576 ( -1.404 2.823 0.000) 3.153 2.810 ( -10.945 7.977 0.000) 13.543 2.945 ( -0.706 -0.223 0.000) 0.740 3.140 ( 0.463 -4.046 0.000) 4.072 3.314 ( -0.299 -2.435 0.000) 2.454 3.324 ( 1.284 -10.592 0.000) 10.669 3.459 ( 3.275 -4.030 0.000) 5.193 3.563 ( 1.233 -6.016 0.000) 6.141 3.616 ( 2.506 1.935 0.000) 3.166 3.702 ( 3.632 -0.336 0.000) 3.648 3.753 ( 3.535 -9.172 0.000) 9.830 3.911 ( 10.808 5.280 0.000) 12.029 3.922 ( 2.472 1.995 0.000) 3.176 4.097 ( 0.294 0.656 0.000) 0.718 4.109 ( 1.465 4.215 0.000) 4.462 4.248 ( 0.279 -0.342 0.000) 0.441 4.351 ( -1.798 -2.525 0.000) 3.100 4.518 ( 3.608 0.937 0.000) 3.728 4.562 ( 6.993 0.535 0.000) 7.013 4.770 ( 14.359 9.590 0.000) 17.267 4.836 ( 0.379 2.533 0.000) 2.561 4.905 ( 5.961 1.239 0.000) 6.088 4.945 ( 2.887 1.718 0.000) 3.359 5.104 ( 5.842 -1.287 0.000) 5.982 5.400 ( 9.269 0.880 0.000) 9.311 5.440 ( 13.506 -5.706 0.000) 14.662 5.678 ( 10.967 -7.699 0.000) 13.400 6.769 ( 0.628 3.451 0.000) 3.507 6.879 ( -3.987 -0.551 0.000) 4.025 7.180 ( -4.841 3.092 0.000) 5.745 7.238 ( 0.029 7.875 0.000) 7.875 7.325 ( -2.884 0.632 0.000) 2.952 7.364 ( -2.505 -1.078 0.000) 2.727 7.726 ( -2.188 -4.335 0.000) 4.856 7.726 ( -2.013 -3.829 0.000) 4.326 7.767 ( -2.696 -3.690 0.000) 4.570 7.858 ( -1.298 5.732 0.000) 5.877 7.957 ( -0.890 0.213 0.000) 0.915 8.102 ( -0.116 2.921 0.000) 2.923 8.422 ( 0.651 -0.526 0.000) 0.837 8.709 ( 0.172 7.377 0.000) 7.379 8.822 ( -4.225 -1.733 0.000) 4.567 8.888 ( -5.698 -4.086 0.000) 7.011 9.064 ( -0.574 -12.055 0.000) 12.069 9.265 ( -2.760 4.438 0.000) 5.226 9.477 ( 0.388 7.042 0.000) 7.052 9.994 ( 1.727 -4.180 0.000) 4.523 10.011 ( 2.632 1.398 0.000) 2.980 10.373 ( 1.836 -7.718 0.000) 7.933 10.543 ( -7.120 -1.827 0.000) 7.351 10.601 ( -3.094 -19.168 0.000) 19.416 10.616 ( 3.631 -1.936 0.000) 4.115 10.817 ( -3.547 1.452 0.000) 3.832 10.963 ( -1.998 -11.053 0.000) 11.232 10.983 ( -3.168 -17.226 0.000) 17.515 11.914 ( -0.261 9.787 0.000) 9.790 12.344 ( -6.786 13.585 0.000) 15.186 12.479 ( -2.990 -5.530 0.000) 6.286 13.204 ( 0.454 -11.013 0.000) 11.022 13.307 ( -2.859 20.381 0.000) 20.581 14.105 ( -5.014 19.084 0.000) 19.732 14.248 ( -2.905 -9.427 0.000) 9.864 15.020 ( -2.351 -8.764 0.000) 9.074 15.204 ( 0.107 0.982 0.000) 0.988 15.326 ( 2.755 -0.781 0.000) 2.863 15.881 ( -3.870 14.326 0.000) 14.840 16.401 ( 0.064 3.858 0.000) 3.858 16.497 ( 5.845 -1.859 0.000) 6.134 16.785 ( 6.105 -6.777 0.000) 9.121 17.074 ( -0.211 -2.941 0.000) 2.948 17.149 ( 7.478 -3.992 0.000) 8.476 24.467 ( 0.158 0.721 0.000) 0.738 24.602 ( -0.648 -2.496 0.000) 2.579 24.797 ( 0.260 5.597 0.000) 5.603 24.869 ( 1.005 -0.147 0.000) 1.016 24.947 ( 0.633 -2.191 0.000) 2.281 24.999 ( -0.434 -0.698 0.000) 0.822 25.583 ( -2.235 5.773 0.000) 6.191 25.729 ( -7.264 1.951 0.000) 7.521 27.059 ( -2.519 0.250 0.000) 2.532 27.245 ( -1.225 -5.749 0.000) 5.878 27.437 ( -3.242 -1.503 0.000) 3.573 27.548 ( -2.365 -3.815 0.000) 4.489 27.860 ( 1.542 9.036 0.000) 9.166 28.232 ( 4.086 0.163 0.000) 4.089 28.333 ( -2.849 8.449 0.000) 8.916 29.128 ( 4.034 -15.512 0.000) 16.028 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 0.000 7.037 0.000) 7.037 1.717 ( -0.000 9.460 0.000) 9.460 1.729 ( 0.000 5.309 0.000) 5.309 1.905 ( 0.000 -3.233 0.000) 3.233 2.022 ( 0.000 -0.633 0.000) 0.633 2.262 ( 0.000 4.899 0.000) 4.899 2.300 ( -0.000 5.593 0.000) 5.593 2.475 ( -0.000 3.751 0.000) 3.751 2.535 ( -0.000 18.172 0.000) 18.172 2.566 ( -0.000 8.253 0.000) 8.253 2.588 ( 0.000 9.251 0.000) 9.251 2.927 ( 0.000 5.079 0.000) 5.079 3.158 ( 0.000 -4.642 0.000) 4.642 3.301 ( -0.000 -6.233 0.000) 6.233 3.337 ( 0.000 -11.199 0.000) 11.199 3.499 ( 0.000 -1.546 0.000) 1.546 3.562 ( -0.000 -7.058 0.000) 7.058 3.638 ( 0.000 3.108 0.000) 3.108 3.720 ( 0.000 -7.107 0.000) 7.107 3.837 ( -0.000 -6.815 0.000) 6.815 3.929 ( 0.000 4.714 0.000) 4.714 4.054 ( 0.000 4.092 0.000) 4.092 4.094 ( 0.000 0.877 0.000) 0.877 4.102 ( 0.000 2.822 0.000) 2.822 4.260 ( -0.000 -0.785 0.000) 0.785 4.299 ( 0.000 0.353 0.000) 0.353 4.541 ( 0.000 1.051 0.000) 1.051 4.641 ( 0.000 -0.149 0.000) 0.149 4.839 ( 0.000 1.961 0.000) 1.961 4.962 ( 0.000 2.126 0.000) 2.126 4.963 ( 0.000 7.465 0.000) 7.465 4.984 ( 0.000 0.647 0.000) 0.647 5.177 ( -0.000 0.039 0.000) 0.039 5.529 ( 0.000 3.851 0.000) 3.851 5.600 ( 0.000 -6.555 0.000) 6.555 5.802 ( 0.000 -6.178 0.000) 6.178 6.784 ( 0.000 1.522 0.000) 1.522 6.826 ( -0.000 0.401 0.000) 0.401 7.127 ( 0.000 1.171 0.000) 1.171 7.244 ( -0.000 8.854 0.000) 8.854 7.291 ( -0.000 0.858 0.000) 0.858 7.329 ( 0.000 -1.446 0.000) 1.446 7.701 ( 0.000 -4.802 0.000) 4.802 7.707 ( 0.000 -3.685 0.000) 3.685 7.740 ( -0.000 -5.157 0.000) 5.157 7.841 ( 0.000 6.131 0.000) 6.131 7.938 ( -0.000 0.015 0.000) 0.015 8.104 ( 0.000 0.608 0.000) 0.608 8.428 ( 0.000 -0.373 0.000) 0.373 8.724 ( 0.000 18.453 0.000) 18.453 8.761 ( -0.000 -12.361 0.000) 12.361 8.804 ( 0.000 -4.498 0.000) 4.498 9.058 ( 0.000 -11.441 0.000) 11.441 9.238 ( 0.000 8.371 0.000) 8.371 9.482 ( 0.000 7.043 0.000) 7.043 10.011 ( 0.000 -4.439 0.000) 4.439 10.041 ( 0.000 0.568 0.000) 0.568 10.397 ( 0.000 -2.407 0.000) 2.407 10.455 ( -0.000 1.262 0.000) 1.262 10.572 ( 0.000 -27.279 0.000) 27.279 10.701 ( -0.000 -6.141 0.000) 6.141 10.725 ( 0.000 4.114 0.000) 4.114 10.936 ( 0.000 -0.156 0.000) 0.156 10.961 ( 0.000 -26.447 0.000) 26.447 11.911 ( 0.000 9.200 0.000) 9.200 12.273 ( 0.000 13.272 0.000) 13.272 12.445 ( 0.000 -5.291 0.000) 5.291 13.210 ( 0.000 -13.142 0.000) 13.142 13.279 ( 0.000 20.698 0.000) 20.698 14.048 ( 0.000 20.033 0.000) 20.033 14.219 ( 0.000 -9.063 0.000) 9.063 14.998 ( -0.000 -9.077 0.000) 9.077 15.204 ( 0.000 1.038 0.000) 1.038 15.354 ( -0.000 -1.435 0.000) 1.435 15.836 ( -0.000 16.089 0.000) 16.089 16.403 ( 0.000 4.959 0.000) 4.959 16.557 ( 0.000 -1.288 0.000) 1.288 16.851 ( 0.000 -7.431 0.000) 7.431 17.072 ( 0.000 -2.349 0.000) 2.349 17.229 ( 0.000 -4.508 0.000) 4.508 24.469 ( -0.000 0.517 0.000) 0.517 24.595 ( 0.000 -2.432 0.000) 2.432 24.800 ( 0.000 5.299 0.000) 5.299 24.881 ( -0.000 -0.238 0.000) 0.238 24.954 ( 0.000 -1.975 0.000) 1.975 24.995 ( 0.000 -0.677 0.000) 0.677 25.599 ( 0.000 2.277 0.000) 2.277 25.611 ( -0.000 3.901 0.000) 3.901 27.032 ( 0.000 0.459 0.000) 0.459 27.232 ( 0.000 -5.957 0.000) 5.957 27.402 ( 0.000 -0.921 0.000) 0.921 27.523 ( 0.000 -3.561 0.000) 3.561 27.877 ( 0.000 9.433 0.000) 9.433 28.276 ( 0.000 -0.297 0.000) 0.297 28.301 ( 0.000 9.758 0.000) 9.758 29.169 ( 0.000 -16.008 0.000) 16.008 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.000 12.804 0.000) 12.804 1.627 ( 0.000 -4.418 0.000) 4.418 1.783 ( 0.000 23.658 0.000) 23.658 2.037 ( 0.000 5.009 0.000) 5.009 2.094 ( 0.000 -6.506 0.000) 6.506 2.255 ( 0.000 -13.744 0.000) 13.744 2.537 ( 0.000 9.118 0.000) 9.118 2.636 ( 0.000 21.723 0.000) 21.723 2.645 ( 0.000 0.523 0.000) 0.523 2.792 ( 0.000 15.501 0.000) 15.501 2.861 ( 0.000 2.577 0.000) 2.577 2.929 ( 0.000 -1.839 0.000) 1.839 2.943 ( 0.000 -1.861 0.000) 1.861 3.014 ( 0.000 -4.167 0.000) 4.167 3.062 ( 0.000 -8.909 0.000) 8.909 3.075 ( 0.000 -10.564 0.000) 10.564 3.187 ( 0.000 2.526 0.000) 2.526 3.304 ( 0.000 -8.640 0.000) 8.640 3.436 ( 0.000 -1.979 0.000) 1.979 3.495 ( 0.000 -5.346 0.000) 5.346 3.567 ( 0.000 23.720 0.000) 23.720 3.786 ( 0.000 0.602 0.000) 0.602 3.799 ( 0.000 -0.689 0.000) 0.689 3.945 ( 0.000 3.245 0.000) 3.245 3.995 ( 0.000 -6.993 0.000) 6.993 4.102 ( 0.000 -19.836 0.000) 19.836 4.111 ( 0.000 2.719 0.000) 2.719 4.150 ( 0.000 -0.867 0.000) 0.867 4.297 ( 0.000 11.029 0.000) 11.029 4.511 ( 0.000 -9.457 0.000) 9.457 4.903 ( 0.000 6.545 0.000) 6.545 4.950 ( 0.000 3.991 0.000) 3.991 5.010 ( 0.000 -4.225 0.000) 4.225 5.029 ( 0.000 -3.203 0.000) 3.203 5.109 ( 0.000 2.138 0.000) 2.138 5.145 ( 0.000 -1.116 0.000) 1.116 7.014 ( 0.000 2.326 0.000) 2.326 7.039 ( 0.000 -0.060 0.000) 0.060 7.238 ( 0.000 5.025 0.000) 5.025 7.340 ( 0.000 -4.852 0.000) 4.852 7.438 ( 0.000 2.718 0.000) 2.718 7.534 ( 0.000 -6.297 0.000) 6.297 7.881 ( 0.000 2.926 0.000) 2.926 7.891 ( 0.000 4.865 0.000) 4.865 7.931 ( 0.000 -1.047 0.000) 1.047 7.968 ( 0.000 -2.575 0.000) 2.575 8.128 ( 0.000 9.776 0.000) 9.776 8.360 ( 0.000 -12.377 0.000) 12.377 8.441 ( 0.000 4.365 0.000) 4.365 8.570 ( 0.000 -7.605 0.000) 7.605 8.659 ( 0.000 4.803 0.000) 4.803 8.805 ( 0.000 -9.587 0.000) 9.587 9.331 ( 0.000 22.510 0.000) 22.510 9.499 ( 0.000 15.674 0.000) 15.674 9.580 ( 0.000 3.980 0.000) 3.980 9.691 ( 0.000 -5.984 0.000) 5.984 9.792 ( 0.000 -10.445 0.000) 10.445 9.810 ( 0.000 -22.736 0.000) 22.736 10.605 ( 0.000 1.254 0.000) 1.254 10.660 ( 0.000 -3.804 0.000) 3.804 10.779 ( 0.000 1.760 0.000) 1.760 10.855 ( 0.000 -4.988 0.000) 4.988 10.964 ( 0.000 2.542 0.000) 2.542 11.101 ( 0.000 -9.026 0.000) 9.026 12.220 ( 0.000 13.858 0.000) 13.858 12.476 ( 0.000 -10.507 0.000) 10.507 13.161 ( 0.000 0.634 0.000) 0.634 13.167 ( 0.000 -0.185 0.000) 0.185 14.000 ( 0.000 17.232 0.000) 17.232 14.335 ( 0.000 -14.978 0.000) 14.978 14.834 ( 0.000 18.664 0.000) 18.664 15.045 ( 0.000 0.100 0.000) 0.100 15.057 ( 0.000 -1.255 0.000) 1.255 15.180 ( 0.000 -14.196 0.000) 14.196 15.713 ( 0.000 5.863 0.000) 5.863 15.848 ( 0.000 -6.745 0.000) 6.745 16.341 ( 0.000 2.483 0.000) 2.483 16.393 ( 0.000 -2.379 0.000) 2.379 16.797 ( 0.000 9.195 0.000) 9.195 16.969 ( 0.000 -7.138 0.000) 7.138 24.512 ( 0.000 2.684 0.000) 2.684 24.574 ( 0.000 -3.094 0.000) 3.094 24.819 ( 0.000 0.447 0.000) 0.447 24.840 ( 0.000 -1.438 0.000) 1.438 24.913 ( 0.000 5.131 0.000) 5.131 24.992 ( 0.000 -2.560 0.000) 2.560 26.072 ( 0.000 7.790 0.000) 7.790 26.233 ( 0.000 -7.283 0.000) 7.283 27.275 ( 0.000 -0.947 0.000) 0.947 27.282 ( 0.000 -1.685 0.000) 1.685 27.570 ( 0.000 1.470 0.000) 1.470 27.627 ( 0.000 -3.811 0.000) 3.811 27.853 ( 0.000 6.009 0.000) 6.009 27.930 ( 0.000 -1.242 0.000) 1.242 28.455 ( 0.000 9.386 0.000) 9.386 28.639 ( 0.000 -8.692 0.000) 8.692 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 4.671 11.510 0.000) 12.422 1.661 ( 3.125 -4.016 0.000) 5.088 1.847 ( 3.122 16.504 0.000) 16.796 1.983 ( -6.107 -0.126 0.000) 6.108 2.078 ( 1.112 5.393 0.000) 5.506 2.330 ( 3.935 -13.547 0.000) 14.107 2.508 ( -1.582 7.401 0.000) 7.568 2.610 ( -2.691 0.540 0.000) 2.744 2.625 ( -0.008 21.602 0.000) 21.602 2.733 ( -2.958 11.458 0.000) 11.834 2.849 ( -3.898 -4.447 0.000) 5.913 2.944 ( 3.620 -6.632 0.000) 7.556 3.016 ( 4.258 0.862 0.000) 4.345 3.089 ( 6.166 -0.348 0.000) 6.176 3.103 ( 1.716 -7.110 0.000) 7.314 3.188 ( 10.327 -6.227 0.000) 12.059 3.239 ( 4.894 1.059 0.000) 5.007 3.309 ( 2.176 -5.250 0.000) 5.683 3.474 ( 4.045 1.676 0.000) 4.378 3.597 ( 8.476 -7.170 0.000) 11.102 3.692 ( 9.751 19.020 0.000) 21.374 3.771 ( -0.107 1.420 0.000) 1.424 3.805 ( 1.563 -1.970 0.000) 2.515 3.995 ( 4.159 -2.940 0.000) 5.093 4.100 ( 9.979 -0.949 0.000) 10.025 4.128 ( 1.941 3.562 0.000) 4.056 4.185 ( 2.717 -1.700 0.000) 3.205 4.274 ( 13.125 -13.387 0.000) 18.747 4.362 ( 7.379 9.418 0.000) 11.964 4.558 ( 4.762 -8.823 0.000) 10.026 4.873 ( -2.463 7.070 0.000) 7.487 4.957 ( 0.524 3.239 0.000) 3.281 4.996 ( -2.209 0.670 0.000) 2.309 4.998 ( -0.387 -4.678 0.000) 4.694 5.126 ( 1.990 1.008 0.000) 2.231 5.187 ( 3.337 -4.110 0.000) 5.294 6.953 ( -4.124 3.721 0.000) 5.555 7.005 ( -2.795 -1.260 0.000) 3.066 7.297 ( 3.692 3.608 0.000) 5.162 7.364 ( 1.383 -3.187 0.000) 3.474 7.428 ( -0.915 2.284 0.000) 2.461 7.499 ( -3.200 -3.920 0.000) 5.061 7.853 ( -2.263 3.593 0.000) 4.246 7.861 ( -4.031 2.976 0.000) 5.011 7.918 ( -4.905 -2.272 0.000) 5.406 7.923 ( -0.492 -1.980 0.000) 2.040 8.094 ( -2.730 7.410 0.000) 7.897 8.232 ( -6.556 -3.974 0.000) 7.666 8.433 ( -0.548 3.961 0.000) 3.999 8.568 ( -0.368 -8.672 0.000) 8.680 8.752 ( 4.835 -2.206 0.000) 5.315 8.833 ( 2.419 -8.220 0.000) 8.569 9.320 ( -1.022 23.025 0.000) 23.048 9.529 ( 2.118 15.851 0.000) 15.992 9.592 ( 1.271 6.118 0.000) 6.249 9.728 ( 2.911 -7.951 0.000) 8.467 9.825 ( 2.884 -10.100 0.000) 10.504 9.826 ( 1.392 -22.791 0.000) 22.834 10.566 ( -2.447 1.282 0.000) 2.762 10.648 ( -1.780 -7.602 0.000) 7.807 10.734 ( -4.146 1.598 0.000) 4.443 10.802 ( -4.812 -4.478 0.000) 6.573 10.948 ( -1.321 3.499 0.000) 3.740 11.074 ( -2.642 -7.915 0.000) 8.344 12.206 ( -1.281 13.325 0.000) 13.387 12.454 ( -2.097 -10.194 0.000) 10.407 13.043 ( -9.819 5.048 0.000) 11.041 13.127 ( -3.632 -3.019 0.000) 4.722 13.919 ( -6.512 16.868 0.000) 18.081 14.242 ( -7.207 -14.262 0.000) 15.980 14.733 ( -7.268 17.177 0.000) 18.651 15.057 ( -8.928 -13.838 0.000) 16.468 15.112 ( 5.319 0.570 0.000) 5.350 15.129 ( 5.145 -1.174 0.000) 5.278 15.903 ( 14.641 4.664 0.000) 15.366 16.005 ( 10.913 -4.760 0.000) 11.906 16.384 ( 3.513 1.044 0.000) 3.665 16.414 ( 2.525 -1.571 0.000) 2.974 16.823 ( 2.909 7.375 0.000) 7.928 16.973 ( 0.459 -6.612 0.000) 6.628 24.509 ( -0.290 2.615 0.000) 2.631 24.570 ( -0.391 -3.069 0.000) 3.094 24.828 ( 0.845 0.682 0.000) 1.086 24.854 ( 1.150 -1.700 0.000) 2.052 24.911 ( -0.173 5.001 0.000) 5.004 24.988 ( -0.324 -2.522 0.000) 2.542 26.006 ( -6.131 6.370 0.000) 8.841 26.118 ( -9.426 -3.699 0.000) 10.126 27.226 ( -3.832 0.092 0.000) 3.833 27.253 ( -2.680 -2.529 0.000) 3.685 27.552 ( -1.945 -0.043 0.000) 1.946 27.591 ( -2.981 -3.463 0.000) 4.569 27.897 ( 3.673 6.325 0.000) 7.314 27.985 ( 4.673 -1.871 0.000) 5.034 28.502 ( 3.295 7.720 0.000) 8.393 28.669 ( 2.905 -8.285 0.000) 8.780 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 6.643 8.463 0.000) 10.758 1.742 ( 4.088 -2.612 0.000) 4.851 1.813 ( -6.590 5.567 0.000) 8.626 1.865 ( -2.593 1.599 0.000) 3.046 2.119 ( 0.946 8.854 0.000) 8.905 2.310 ( -3.957 -6.836 0.000) 7.898 2.490 ( -1.870 3.559 0.000) 4.020 2.581 ( 0.286 0.492 0.000) 0.569 2.650 ( 2.430 20.736 0.000) 20.878 2.726 ( 2.102 10.809 0.000) 11.012 2.822 ( 1.252 -2.504 0.000) 2.800 2.979 ( 0.432 -9.480 0.000) 9.490 3.053 ( -0.220 -4.292 0.000) 4.297 3.129 ( 0.208 -10.266 0.000) 10.268 3.175 ( 1.264 4.255 0.000) 4.439 3.363 ( 6.148 2.212 0.000) 6.534 3.380 ( 5.642 -12.475 0.000) 13.692 3.414 ( 6.347 -2.403 0.000) 6.787 3.601 ( 5.925 5.028 0.000) 7.771 3.676 ( 0.108 -1.763 0.000) 1.767 3.857 ( 7.680 2.994 0.000) 8.243 3.896 ( 8.706 12.298 0.000) 15.067 3.961 ( 10.071 -6.158 0.000) 11.804 4.081 ( 3.641 -4.199 0.000) 5.558 4.206 ( 5.708 2.115 0.000) 6.088 4.241 ( 2.250 -1.134 0.000) 2.520 4.367 ( 12.820 5.852 0.000) 14.093 4.464 ( 6.728 0.010 0.000) 6.728 4.666 ( 15.853 -1.099 0.000) 15.891 4.736 ( 12.218 -6.297 0.000) 13.745 4.844 ( 1.733 10.608 0.000) 10.749 4.950 ( -0.459 3.752 0.000) 3.780 4.986 ( 1.269 0.486 0.000) 1.359 5.047 ( 6.444 -7.993 0.000) 10.267 5.212 ( 7.025 0.749 0.000) 7.065 5.291 ( 7.580 -6.437 0.000) 9.944 6.878 ( -2.886 3.956 0.000) 4.897 6.938 ( -3.444 -1.857 0.000) 3.913 7.340 ( 0.101 2.263 0.000) 2.265 7.373 ( -0.521 -1.478 0.000) 1.567 7.394 ( -3.193 1.090 0.000) 3.374 7.400 ( -5.738 1.342 0.000) 5.893 7.730 ( -6.376 -0.872 0.000) 6.436 7.772 ( -7.865 -4.354 0.000) 8.990 7.806 ( -2.015 5.394 0.000) 5.758 7.922 ( 0.248 -3.924 0.000) 3.932 8.048 ( -1.316 7.923 0.000) 8.032 8.166 ( -1.419 -1.801 0.000) 2.293 8.425 ( -0.116 3.004 0.000) 3.006 8.553 ( -0.890 -9.368 0.000) 9.411 8.804 ( 0.351 -3.320 0.000) 3.339 8.872 ( 0.377 -7.583 0.000) 7.593 9.289 ( -1.856 24.996 0.000) 25.065 9.561 ( 0.760 17.854 0.000) 17.870 9.627 ( 1.601 8.673 0.000) 8.819 9.791 ( 2.884 -12.414 0.000) 12.744 9.856 ( 1.234 -22.754 0.000) 22.788 9.893 ( 3.194 -10.268 0.000) 10.754 10.530 ( -0.894 -1.227 0.000) 1.518 10.594 ( -2.677 -10.403 0.000) 10.742 10.620 ( -6.122 1.350 0.000) 6.269 10.670 ( -7.194 -3.015 0.000) 7.800 10.914 ( -1.942 2.892 0.000) 3.484 10.994 ( -4.496 -4.956 0.000) 6.692 12.171 ( -1.941 12.019 0.000) 12.174 12.396 ( -3.170 -9.380 0.000) 9.901 12.820 ( -10.163 11.513 0.000) 15.357 13.033 ( -4.788 -8.999 0.000) 10.193 13.782 ( -5.670 16.825 0.000) 17.755 14.098 ( -5.778 -13.601 0.000) 14.777 14.587 ( -6.308 16.069 0.000) 17.263 14.889 ( -6.451 -12.828 0.000) 14.359 15.206 ( 2.893 1.141 0.000) 3.109 15.231 ( 4.237 -1.038 0.000) 4.362 16.137 ( 5.198 6.803 0.000) 8.561 16.239 ( 11.130 -3.419 0.000) 11.643 16.446 ( 2.833 2.863 0.000) 4.028 16.520 ( 6.351 -4.116 0.000) 7.568 16.930 ( 6.885 1.521 0.000) 7.051 16.993 ( 1.579 -4.195 0.000) 4.482 24.502 ( -0.366 2.380 0.000) 2.408 24.559 ( -0.613 -2.959 0.000) 3.021 24.852 ( 1.293 0.896 0.000) 1.574 24.881 ( 1.320 -1.899 0.000) 2.313 24.906 ( -0.240 4.661 0.000) 4.667 24.979 ( -0.488 -2.412 0.000) 2.461 25.837 ( -8.913 5.245 0.000) 10.342 25.911 ( -9.385 -1.522 0.000) 9.507 27.141 ( -3.772 1.192 0.000) 3.956 27.190 ( -2.925 -3.479 0.000) 4.545 27.490 ( -3.473 -0.156 0.000) 3.477 27.525 ( -3.072 -3.391 0.000) 4.575 27.982 ( 3.942 7.395 0.000) 8.380 28.096 ( 5.304 -3.308 0.000) 6.251 28.547 ( 0.773 8.808 0.000) 8.842 28.750 ( 4.125 -10.769 0.000) 11.532 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -3.655 6.861 0.000) 7.774 1.755 ( 4.980 5.187 0.000) 7.191 1.813 ( 2.274 -0.280 0.000) 2.291 1.819 ( -1.760 -4.111 0.000) 4.472 2.103 ( -1.683 5.773 0.000) 6.014 2.242 ( -2.140 -6.570 0.000) 6.910 2.452 ( -1.118 8.902 0.000) 8.972 2.586 ( 0.031 1.192 0.000) 1.192 2.725 ( 4.462 16.888 0.000) 17.468 2.773 ( 1.596 10.404 0.000) 10.526 2.883 ( 4.007 -2.780 0.000) 4.877 2.962 ( -2.261 -0.901 0.000) 2.434 3.040 ( -0.571 -4.630 0.000) 4.665 3.107 ( -2.120 -11.420 0.000) 11.615 3.164 ( -1.268 3.004 0.000) 3.260 3.440 ( 0.815 -16.051 0.000) 16.071 3.465 ( 3.452 2.513 0.000) 4.270 3.512 ( 2.392 -1.681 0.000) 2.924 3.677 ( 1.880 1.965 0.000) 2.720 3.709 ( 3.361 -0.914 0.000) 3.483 3.993 ( 3.678 4.344 0.000) 5.691 4.043 ( 5.415 6.325 0.000) 8.326 4.075 ( 1.764 -2.851 0.000) 3.352 4.138 ( 1.517 -2.077 0.000) 2.572 4.261 ( 0.364 1.309 0.000) 1.358 4.298 ( 0.825 -2.241 0.000) 2.388 4.552 ( 4.190 2.159 0.000) 4.713 4.575 ( 4.404 0.210 0.000) 4.409 4.882 ( 1.693 1.683 0.000) 2.387 4.910 ( 5.617 -0.851 0.000) 5.681 4.996 ( 2.984 3.238 0.000) 4.403 5.007 ( 11.754 12.590 0.000) 17.224 5.064 ( 5.857 -2.785 0.000) 6.485 5.261 ( 11.594 -11.148 0.000) 16.084 5.434 ( 13.329 3.314 0.000) 13.735 5.538 ( 13.789 -6.089 0.000) 15.074 6.833 ( -1.388 2.487 0.000) 2.848 6.868 ( -2.965 -0.882 0.000) 3.093 7.253 ( -6.347 3.929 0.000) 7.464 7.320 ( -4.129 -1.733 0.000) 4.478 7.323 ( -0.990 1.246 0.000) 1.591 7.349 ( -1.484 -1.176 0.000) 1.893 7.639 ( -2.423 -2.759 0.000) 3.672 7.649 ( -3.415 -4.239 0.000) 5.444 7.770 ( -1.435 7.217 0.000) 7.358 7.915 ( -1.038 -4.841 0.000) 4.951 8.019 ( -1.610 7.618 0.000) 7.787 8.127 ( -2.395 -1.873 0.000) 3.041 8.426 ( 0.090 2.019 0.000) 2.021 8.536 ( -0.593 -8.931 0.000) 8.951 8.776 ( -2.555 -1.682 0.000) 3.059 8.853 ( -1.339 -7.899 0.000) 8.011 9.249 ( -1.635 27.433 0.000) 27.481 9.568 ( 0.200 20.077 0.000) 20.078 9.645 ( 0.193 8.435 0.000) 8.438 9.843 ( 1.881 -13.470 0.000) 13.600 9.875 ( 0.603 -24.892 0.000) 24.900 9.947 ( 1.812 -11.650 0.000) 11.790 10.505 ( -4.211 1.230 0.000) 4.387 10.521 ( -0.123 -5.346 0.000) 5.347 10.532 ( -5.284 -1.042 0.000) 5.386 10.559 ( -0.699 -9.211 0.000) 9.237 10.861 ( -2.887 2.729 0.000) 3.973 10.921 ( -1.933 -2.798 0.000) 3.400 12.133 ( -1.411 10.638 0.000) 10.731 12.334 ( -2.390 -8.445 0.000) 8.776 12.649 ( -5.822 14.892 0.000) 15.989 12.946 ( -3.153 -13.609 0.000) 13.969 13.697 ( -2.462 17.075 0.000) 17.251 14.012 ( -2.453 -13.298 0.000) 13.522 14.479 ( -3.792 16.771 0.000) 17.194 14.792 ( -2.948 -13.195 0.000) 13.520 15.239 ( 0.595 2.323 0.000) 2.398 15.291 ( 1.578 -2.388 0.000) 2.862 16.179 ( 0.179 13.491 0.000) 13.492 16.405 ( 4.643 -7.687 0.000) 8.981 16.503 ( 2.274 5.890 0.000) 6.314 16.639 ( 4.424 -7.031 0.000) 8.306 17.035 ( 2.056 -0.183 0.000) 2.064 17.071 ( 5.499 -3.227 0.000) 6.376 24.496 ( -0.204 2.021 0.000) 2.031 24.547 ( -0.491 -2.744 0.000) 2.787 24.876 ( 0.916 0.856 0.000) 1.254 24.902 ( -0.171 4.287 0.000) 4.291 24.904 ( 0.832 -1.816 0.000) 1.998 24.970 ( -0.368 -2.279 0.000) 2.309 25.685 ( -4.844 3.941 0.000) 6.245 25.740 ( -6.599 -1.133 0.000) 6.696 27.079 ( -2.080 1.863 0.000) 2.793 27.141 ( -1.640 -4.112 0.000) 4.427 27.427 ( -2.276 0.738 0.000) 2.393 27.470 ( -1.947 -3.272 0.000) 3.808 28.049 ( 2.314 8.479 0.000) 8.789 28.188 ( 3.179 -4.554 0.000) 5.554 28.547 ( -0.367 11.888 0.000) 11.894 28.818 ( 2.119 -14.108 0.000) 14.266 ======================= Grid point 31 (20/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 0.000 7.141 0.000) 7.141 1.800 ( 0.000 -6.110 0.000) 6.110 1.818 ( -0.000 2.762 0.000) 2.762 1.829 ( 0.000 1.977 0.000) 1.977 2.081 ( 0.000 5.169 0.000) 5.169 2.219 ( -0.000 -7.616 0.000) 7.616 2.442 ( 0.000 11.295 0.000) 11.295 2.586 ( 0.000 1.436 0.000) 1.436 2.789 ( 0.000 10.473 0.000) 10.473 2.798 ( -0.000 10.538 0.000) 10.538 2.912 ( 0.000 10.286 0.000) 10.286 2.943 ( 0.000 -3.275 0.000) 3.275 3.041 ( -0.000 -5.528 0.000) 5.528 3.064 ( 0.000 -10.008 0.000) 10.008 3.150 ( -0.000 -0.421 0.000) 0.421 3.444 ( 0.000 -17.435 0.000) 17.435 3.506 ( 0.000 1.539 0.000) 1.539 3.527 ( -0.000 -0.113 0.000) 0.113 3.701 ( 0.000 2.833 0.000) 2.833 3.755 ( 0.000 -2.547 0.000) 2.547 4.023 ( 0.000 4.065 0.000) 4.065 4.085 ( 0.000 -1.776 0.000) 1.776 4.117 ( 0.000 2.092 0.000) 2.092 4.139 ( -0.000 0.216 0.000) 0.216 4.267 ( 0.000 1.068 0.000) 1.068 4.291 ( 0.000 -1.011 0.000) 1.011 4.586 ( 0.000 2.552 0.000) 2.552 4.626 ( 0.000 -1.168 0.000) 1.168 4.893 ( 0.000 3.104 0.000) 3.104 4.958 ( 0.000 -2.673 0.000) 2.673 5.031 ( 0.000 4.399 0.000) 4.399 5.127 ( 0.000 -4.303 0.000) 4.303 5.161 ( 0.000 11.235 0.000) 11.235 5.405 ( 0.000 -11.503 0.000) 11.503 5.618 ( -0.000 4.514 0.000) 4.514 5.705 ( 0.000 -3.902 0.000) 3.902 6.819 ( 0.000 1.407 0.000) 1.407 6.832 ( 0.000 0.042 0.000) 0.042 7.179 ( 0.000 3.913 0.000) 3.913 7.268 ( -0.000 -3.429 0.000) 3.429 7.313 ( 0.000 0.100 0.000) 0.100 7.328 ( 0.000 -0.372 0.000) 0.372 7.615 ( 0.000 -2.845 0.000) 2.845 7.616 ( -0.000 -3.738 0.000) 3.738 7.752 ( 0.000 7.494 0.000) 7.494 7.897 ( 0.000 -4.628 0.000) 4.628 7.997 ( 0.000 6.941 0.000) 6.941 8.092 ( 0.000 -2.182 0.000) 2.182 8.427 ( 0.000 1.637 0.000) 1.637 8.531 ( 0.000 -8.703 0.000) 8.703 8.740 ( 0.000 0.397 0.000) 0.397 8.838 ( 0.000 -8.621 0.000) 8.621 9.231 ( 0.000 28.481 0.000) 28.481 9.571 ( 0.000 20.695 0.000) 20.695 9.645 ( 0.000 7.387 0.000) 7.387 9.861 ( 0.000 -9.058 0.000) 9.058 9.884 ( -0.000 -29.951 0.000) 29.951 9.966 ( 0.000 -12.427 0.000) 12.427 10.460 ( 0.000 1.088 0.000) 1.088 10.473 ( -0.000 0.130 0.000) 0.130 10.523 ( -0.000 -8.884 0.000) 8.884 10.552 ( 0.000 -6.871 0.000) 6.871 10.826 ( 0.000 4.199 0.000) 4.199 10.904 ( 0.000 -2.962 0.000) 2.962 12.118 ( 0.000 10.018 0.000) 10.018 12.307 ( 0.000 -8.000 0.000) 8.000 12.586 ( 0.000 15.882 0.000) 15.882 12.912 ( 0.000 -15.265 0.000) 15.265 13.673 ( 0.000 17.176 0.000) 17.176 13.988 ( 0.000 -13.189 0.000) 13.189 14.438 ( 0.000 17.373 0.000) 17.373 14.761 ( 0.000 -13.670 0.000) 13.670 15.243 ( 0.000 2.695 0.000) 2.695 15.306 ( -0.000 -2.985 0.000) 2.985 16.177 ( 0.000 15.788 0.000) 15.788 16.450 ( 0.000 -9.580 0.000) 9.580 16.529 ( 0.000 7.066 0.000) 7.066 16.688 ( 0.000 -8.018 0.000) 8.018 17.060 ( 0.000 1.699 0.000) 1.699 17.131 ( 0.000 -4.600 0.000) 4.600 24.493 ( -0.000 1.821 0.000) 1.821 24.541 ( 0.000 -2.609 0.000) 2.609 24.886 ( 0.000 0.808 0.000) 0.808 24.900 ( 0.000 4.123 0.000) 4.123 24.914 ( 0.000 -1.763 0.000) 1.763 24.966 ( 0.000 -2.218 0.000) 2.218 25.643 ( 0.000 1.700 0.000) 1.700 25.658 ( -0.000 0.598 0.000) 0.598 27.057 ( 0.000 2.092 0.000) 2.092 27.123 ( 0.000 -4.327 0.000) 4.327 27.402 ( 0.000 1.136 0.000) 1.136 27.449 ( 0.000 -3.218 0.000) 3.218 28.074 ( 0.000 8.906 0.000) 8.906 28.222 ( 0.000 -5.020 0.000) 5.020 28.542 ( 0.000 13.178 0.000) 13.178 28.839 ( 0.000 -15.358 0.000) 15.358 ======================= Grid point 63 (21/60) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 0.000 0.000 27.794) 27.794 0.530 ( 0.000 0.000 27.631) 27.631 1.000 ( 0.000 0.000 48.730) 48.730 1.593 ( 0.000 0.000 -2.378) 2.378 1.669 ( 0.000 0.000 5.132) 5.132 1.810 ( 0.000 0.000 -8.130) 8.130 1.881 ( 0.000 0.000 -1.726) 1.726 2.049 ( 0.000 0.000 -1.768) 1.768 2.050 ( 0.000 0.000 -11.077) 11.077 2.650 ( 0.000 0.000 5.118) 5.118 2.893 ( 0.000 0.000 0.508) 0.508 2.912 ( 0.000 0.000 -1.510) 1.510 2.948 ( 0.000 0.000 -3.933) 3.933 3.101 ( 0.000 0.000 -4.936) 4.936 3.134 ( 0.000 0.000 -6.225) 6.225 3.331 ( 0.000 0.000 5.426) 5.426 3.383 ( 0.000 0.000 -12.690) 12.690 3.448 ( 0.000 0.000 6.778) 6.778 3.690 ( 0.000 0.000 13.455) 13.455 3.705 ( 0.000 0.000 -2.265) 2.265 3.816 ( 0.000 0.000 -2.645) 2.645 3.823 ( 0.000 0.000 -5.371) 5.371 3.868 ( 0.000 0.000 1.329) 1.329 3.930 ( 0.000 0.000 -0.628) 0.628 3.992 ( 0.000 0.000 -3.776) 3.776 4.107 ( 0.000 0.000 4.606) 4.606 4.240 ( 0.000 0.000 4.024) 4.024 4.437 ( 0.000 0.000 -3.775) 3.775 4.745 ( 0.000 0.000 3.246) 3.246 4.775 ( 0.000 0.000 0.464) 0.464 4.816 ( 0.000 0.000 -1.607) 1.607 4.996 ( 0.000 0.000 2.180) 2.180 5.015 ( 0.000 0.000 -4.704) 4.704 5.028 ( 0.000 0.000 1.439) 1.439 5.077 ( 0.000 0.000 0.490) 0.490 5.231 ( 0.000 0.000 -6.968) 6.968 6.877 ( 0.000 0.000 2.397) 2.397 7.000 ( 0.000 0.000 8.431) 8.431 7.092 ( 0.000 0.000 -2.821) 2.821 7.116 ( 0.000 0.000 4.345) 4.345 7.430 ( 0.000 0.000 -3.473) 3.473 7.568 ( 0.000 0.000 -6.693) 6.693 7.750 ( 0.000 0.000 1.007) 1.007 7.823 ( 0.000 0.000 0.047) 0.047 7.824 ( 0.000 0.000 1.453) 1.453 7.998 ( 0.000 0.000 -2.028) 2.028 8.127 ( 0.000 0.000 6.299) 6.299 8.384 ( 0.000 0.000 2.035) 2.035 8.505 ( 0.000 0.000 -3.710) 3.710 8.519 ( 0.000 0.000 -0.790) 0.790 8.633 ( 0.000 0.000 4.051) 4.051 8.956 ( 0.000 0.000 -3.008) 3.008 8.991 ( 0.000 0.000 5.868) 5.868 9.539 ( 0.000 0.000 0.772) 0.772 9.551 ( 0.000 0.000 -7.572) 7.572 9.592 ( 0.000 0.000 -0.963) 0.963 9.956 ( 0.000 0.000 3.779) 3.779 10.482 ( 0.000 0.000 -9.690) 9.690 10.584 ( 0.000 0.000 0.406) 0.406 10.588 ( 0.000 0.000 0.141) 0.141 11.110 ( 0.000 0.000 2.753) 2.753 11.154 ( 0.000 0.000 5.959) 5.959 11.346 ( 0.000 0.000 -2.998) 2.998 11.504 ( 0.000 0.000 -3.293) 3.293 12.598 ( 0.000 0.000 -0.206) 0.206 12.605 ( 0.000 0.000 -0.477) 0.477 12.808 ( 0.000 0.000 3.056) 3.056 13.052 ( 0.000 0.000 -2.912) 2.912 13.183 ( 0.000 0.000 6.661) 6.661 13.678 ( 0.000 0.000 -5.588) 5.588 14.907 ( 0.000 0.000 4.927) 4.927 15.095 ( 0.000 0.000 5.211) 5.211 15.327 ( 0.000 0.000 -4.984) 4.984 15.638 ( 0.000 0.000 -10.508) 10.508 15.931 ( 0.000 0.000 0.356) 0.356 16.012 ( 0.000 0.000 -1.603) 1.603 16.299 ( 0.000 0.000 1.716) 1.716 16.369 ( 0.000 0.000 -0.041) 0.041 16.574 ( 0.000 0.000 10.448) 10.448 17.123 ( 0.000 0.000 -5.015) 5.015 24.479 ( 0.000 0.000 3.587) 3.587 24.698 ( 0.000 0.000 0.610) 0.610 24.809 ( 0.000 0.000 -5.808) 5.808 24.853 ( 0.000 0.000 -4.416) 4.416 25.131 ( 0.000 0.000 8.626) 8.626 25.218 ( 0.000 0.000 4.975) 4.975 25.421 ( 0.000 0.000 -1.183) 1.183 25.701 ( 0.000 0.000 -6.755) 6.755 27.477 ( 0.000 0.000 3.057) 3.057 27.613 ( 0.000 0.000 1.706) 1.706 27.662 ( 0.000 0.000 0.075) 0.075 27.756 ( 0.000 0.000 0.312) 0.312 27.775 ( 0.000 0.000 -4.728) 4.728 27.839 ( 0.000 0.000 -1.377) 1.377 28.398 ( 0.000 0.000 5.051) 5.051 28.723 ( 0.000 0.000 -3.417) 3.417 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.12 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 21.239 0.000 17.278) 27.379 0.844 ( 17.059 0.000 20.105) 26.367 1.387 ( 29.155 0.000 21.962) 36.501 1.500 ( -2.169 0.000 13.144) 13.322 1.702 ( -8.123 0.000 -5.917) 10.049 1.712 ( 4.897 0.000 5.229) 7.164 1.934 ( 2.539 0.000 -1.587) 2.995 2.046 ( -0.038 0.000 -6.883) 6.883 2.084 ( 4.656 0.000 -1.180) 4.804 2.754 ( 6.237 0.000 -1.733) 6.473 2.877 ( -0.776 0.000 1.343) 1.551 2.897 ( 2.729 0.000 -1.282) 3.016 3.026 ( -0.526 0.000 -8.414) 8.431 3.170 ( 5.552 0.000 -3.137) 6.376 3.211 ( 7.751 0.000 -4.933) 9.188 3.295 ( -1.286 0.000 6.619) 6.743 3.400 ( 5.588 0.000 -7.039) 8.988 3.598 ( 8.943 0.000 -2.642) 9.325 3.646 ( -2.670 0.000 8.266) 8.687 3.734 ( 2.821 0.000 -0.246) 2.832 3.799 ( 1.025 0.000 -3.274) 3.431 3.829 ( -0.414 0.000 -2.998) 3.027 3.877 ( 1.644 0.000 6.402) 6.609 3.985 ( 0.233 0.000 -2.301) 2.313 4.157 ( 14.440 0.000 0.604) 14.453 4.165 ( 7.081 0.000 2.542) 7.523 4.244 ( -18.883 0.000 19.818) 27.374 4.382 ( 11.454 0.000 2.790) 11.789 4.477 ( -2.661 0.000 3.229) 4.184 4.711 ( -2.206 0.000 0.615) 2.290 4.804 ( 1.368 0.000 0.941) 1.661 4.841 ( 0.849 0.000 -0.513) 0.992 5.027 ( 1.265 0.000 -4.112) 4.302 5.046 ( 1.103 0.000 0.008) 1.103 5.131 ( -6.230 0.000 -5.096) 8.048 5.436 ( 9.326 0.000 -12.149) 15.316 6.775 ( -5.808 0.000 5.413) 7.939 7.005 ( -0.113 0.000 8.701) 8.702 7.070 ( -1.712 0.000 -3.314) 3.730 7.144 ( 1.268 0.000 3.493) 3.716 7.412 ( -1.787 0.000 -3.183) 3.650 7.579 ( 0.781 0.000 -6.687) 6.732 7.667 ( -5.861 0.000 7.940) 9.869 7.783 ( -1.049 0.000 -0.670) 1.245 7.905 ( 4.058 0.000 0.719) 4.121 7.907 ( -7.489 0.000 8.630) 11.427 8.013 ( 1.256 0.000 -1.567) 2.008 8.056 ( -5.273 0.000 2.623) 5.890 8.495 ( -6.149 0.000 6.561) 8.992 8.496 ( 8.257 0.000 7.360) 11.061 8.901 ( -4.459 0.000 -3.315) 5.556 8.927 ( 7.140 0.000 3.219) 7.832 9.467 ( -0.709 0.000 -5.490) 5.535 9.559 ( -1.958 0.000 -1.273) 2.336 9.622 ( 4.844 0.000 -6.751) 8.309 9.789 ( 22.236 0.000 -30.681) 37.892 9.974 ( 2.007 0.000 3.107) 3.699 10.484 ( 0.715 0.000 -9.050) 9.079 10.542 ( -3.650 0.000 0.720) 3.720 10.566 ( -1.586 0.000 -0.412) 1.639 11.079 ( -7.065 0.000 5.578) 9.001 11.148 ( 3.285 0.000 3.572) 4.853 11.402 ( 4.456 0.000 -3.310) 5.550 11.422 ( -7.212 0.000 -3.659) 8.087 12.146 ( -20.737 0.000 18.801) 27.992 12.477 ( -9.093 0.000 -1.834) 9.276 12.838 ( -1.907 0.000 7.878) 8.106 13.065 ( -8.700 0.000 5.484) 10.284 13.179 ( 7.625 0.000 -2.502) 8.025 13.577 ( -5.213 0.000 -9.100) 10.487 14.828 ( -8.311 0.000 5.427) 9.925 15.131 ( 5.575 0.000 6.144) 8.296 15.302 ( -1.562 0.000 4.168) 4.451 15.452 ( -12.593 0.000 -5.418) 13.709 15.862 ( -6.289 0.000 0.291) 6.295 16.171 ( 6.157 0.000 -15.992) 17.136 16.464 ( 13.417 0.000 2.065) 13.575 16.584 ( 1.507 0.000 8.306) 8.442 16.628 ( 16.921 0.000 -1.175) 16.962 17.122 ( -0.167 0.000 -4.914) 4.917 24.481 ( 0.116 0.000 3.480) 3.482 24.695 ( -0.244 0.000 0.710) 0.751 24.757 ( -5.488 0.000 5.989) 8.124 24.804 ( -1.331 0.000 -6.092) 6.235 25.016 ( -3.603 0.000 8.951) 9.649 25.148 ( -0.556 0.000 9.435) 9.451 25.387 ( -2.554 0.000 -1.927) 3.199 25.712 ( 0.379 0.000 -6.557) 6.567 27.322 ( -8.297 0.000 1.913) 8.514 27.444 ( -6.350 0.000 0.562) 6.375 27.642 ( -2.293 0.000 -0.038) 2.293 27.715 ( -0.644 0.000 -1.343) 1.490 27.835 ( 11.036 0.000 5.207) 12.203 27.877 ( -3.436 0.000 8.963) 9.599 28.611 ( -9.763 0.000 -2.635) 10.113 28.991 ( 21.946 0.000 -28.176) 35.715 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.25 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 11.574 0.000 9.217) 14.796 1.266 ( 19.111 0.000 7.482) 20.524 1.480 ( 3.465 0.000 14.368) 14.780 1.543 ( -3.511 0.000 -1.374) 3.770 1.773 ( 8.075 0.000 0.754) 8.111 1.957 ( -0.034 0.000 -1.515) 1.516 1.990 ( 13.246 0.000 3.389) 13.673 2.076 ( 2.851 0.000 -1.883) 3.417 2.251 ( 9.736 0.000 6.959) 11.967 2.629 ( -9.629 0.000 1.765) 9.790 2.946 ( -6.944 0.000 -3.957) 7.992 3.027 ( 9.643 0.000 3.596) 10.292 3.046 ( 1.716 0.000 -10.388) 10.529 3.166 ( -3.271 0.000 0.521) 3.312 3.266 ( 6.876 0.000 -0.022) 6.876 3.531 ( 15.428 0.000 -1.843) 15.538 3.590 ( 9.465 0.000 5.241) 10.819 3.613 ( -0.066 0.000 5.288) 5.288 3.735 ( 3.718 0.000 -7.695) 8.546 3.783 ( 0.046 0.000 -1.589) 1.590 3.831 ( 0.007 0.000 -0.100) 0.100 3.890 ( 6.893 0.000 -3.884) 7.912 3.897 ( 1.873 0.000 8.958) 9.152 4.046 ( -2.127 0.000 6.227) 6.580 4.053 ( 10.119 0.000 -3.370) 10.666 4.382 ( 12.172 0.000 4.276) 12.901 4.430 ( 9.281 0.000 3.313) 9.854 4.471 ( 0.859 0.000 4.477) 4.559 4.529 ( -3.913 0.000 -0.875) 4.009 4.686 ( 1.715 0.000 -2.094) 2.707 4.824 ( 1.804 0.000 -0.726) 1.944 4.868 ( 1.517 0.000 -0.890) 1.758 5.093 ( 5.258 0.000 -1.732) 5.536 5.116 ( 7.884 0.000 -5.155) 9.420 5.146 ( 8.608 0.000 -0.262) 8.612 5.615 ( 9.151 0.000 -11.594) 14.771 6.700 ( -0.917 0.000 5.576) 5.651 6.992 ( -1.008 0.000 8.733) 8.791 7.042 ( -0.454 0.000 -3.795) 3.822 7.134 ( -2.509 0.000 2.929) 3.857 7.353 ( -3.764 0.000 -2.933) 4.772 7.570 ( -3.889 0.000 7.672) 8.602 7.590 ( 0.103 0.000 -6.886) 6.887 7.769 ( -0.402 0.000 -1.529) 1.581 7.837 ( -1.529 0.000 2.028) 2.540 7.928 ( -4.370 0.000 0.022) 4.370 7.983 ( 0.994 0.000 0.817) 1.286 8.043 ( 1.332 0.000 -0.952) 1.637 8.384 ( -4.086 0.000 6.291) 7.502 8.651 ( 5.534 0.000 10.068) 11.488 8.804 ( -4.262 0.000 -3.756) 5.681 9.064 ( 5.895 0.000 4.549) 7.446 9.400 ( -4.092 0.000 -2.178) 4.636 9.485 ( -5.067 0.000 0.322) 5.077 9.750 ( 6.761 0.000 -7.945) 10.432 9.898 ( -6.941 0.000 -16.184) 17.609 10.005 ( 0.228 0.000 3.294) 3.302 10.452 ( -3.964 0.000 1.266) 4.161 10.526 ( 2.813 0.000 -8.234) 8.701 10.550 ( 0.057 0.000 -3.001) 3.001 10.875 ( -11.741 0.000 4.834) 12.697 11.187 ( -5.764 0.000 -2.405) 6.246 11.278 ( 0.233 0.000 2.520) 2.531 11.490 ( 3.250 0.000 -2.813) 4.298 11.901 ( -4.660 0.000 11.101) 12.039 12.310 ( -6.016 0.000 -3.700) 7.062 12.767 ( -4.120 0.000 9.008) 9.906 12.849 ( -10.107 0.000 6.398) 11.961 13.330 ( 5.774 0.000 -5.277) 7.822 13.461 ( -6.180 0.000 -9.714) 11.514 14.637 ( -8.360 0.000 5.472) 9.992 15.209 ( -7.903 0.000 -9.784) 12.578 15.282 ( -2.031 0.000 8.090) 8.341 15.287 ( 7.817 0.000 8.345) 11.434 15.693 ( -9.037 0.000 0.448) 9.048 16.258 ( 2.700 0.000 -12.018) 12.317 16.578 ( -0.707 0.000 9.405) 9.432 16.761 ( 13.346 0.000 2.636) 13.604 16.983 ( 14.860 0.000 -2.888) 15.138 17.113 ( -0.665 0.000 -4.863) 4.908 24.484 ( 0.215 0.000 3.077) 3.084 24.689 ( -0.312 0.000 1.295) 1.332 24.699 ( -0.397 0.000 6.757) 6.769 24.785 ( -0.579 0.000 -5.834) 5.863 24.994 ( -0.158 0.000 1.801) 1.808 25.139 ( -0.407 0.000 9.081) 9.090 25.342 ( -1.197 0.000 -3.070) 3.294 25.690 ( -2.832 0.000 -6.490) 7.081 27.177 ( -5.506 0.000 2.094) 5.891 27.382 ( -1.220 0.000 -3.661) 3.859 27.566 ( -4.782 0.000 -0.631) 4.824 27.669 ( -2.930 0.000 -1.634) 3.355 27.800 ( -3.088 0.000 9.638) 10.121 28.063 ( 9.028 0.000 5.002) 10.321 28.380 ( -10.251 0.000 1.043) 10.304 29.278 ( 8.593 0.000 -20.087) 21.848 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.38 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 2.067 0.000 2.169) 2.996 1.355 ( -2.075 0.000 -0.732) 2.200 1.615 ( 6.849 0.000 13.132) 14.811 1.783 ( 16.156 0.000 4.952) 16.897 1.958 ( 0.435 0.000 0.245) 0.499 1.975 ( 11.878 0.000 1.678) 11.996 2.145 ( 3.972 0.000 -2.367) 4.624 2.149 ( 3.981 0.000 -2.097) 4.499 2.351 ( -0.316 0.000 5.284) 5.293 2.465 ( -4.328 0.000 3.006) 5.269 2.727 ( -11.833 0.000 8.035) 14.303 2.874 ( -13.980 0.000 -2.879) 14.273 3.155 ( 1.037 0.000 -7.542) 7.613 3.233 ( 7.169 0.000 4.135) 8.276 3.445 ( 7.682 0.000 -7.921) 11.034 3.611 ( 0.497 0.000 5.363) 5.386 3.691 ( 0.219 0.000 1.938) 1.951 3.774 ( 3.382 0.000 -3.495) 4.864 3.783 ( 1.489 0.000 -4.287) 4.538 3.806 ( 1.633 0.000 -0.429) 1.688 3.827 ( 0.665 0.000 10.286) 10.308 3.977 ( 3.556 0.000 -0.290) 3.568 4.023 ( 7.418 0.000 0.497) 7.434 4.045 ( 3.559 0.000 -0.225) 3.567 4.301 ( -1.756 0.000 -5.711) 5.974 4.435 ( 4.983 0.000 -6.636) 8.299 4.470 ( -1.763 0.000 7.678) 7.878 4.589 ( 8.001 0.000 6.825) 10.517 4.655 ( 13.849 0.000 5.993) 15.090 4.744 ( 4.998 0.000 -1.365) 5.181 4.856 ( 0.536 0.000 -0.311) 0.619 4.897 ( 1.000 0.000 -1.055) 1.453 5.149 ( 1.269 0.000 2.357) 2.677 5.297 ( 7.321 0.000 -5.697) 9.277 5.452 ( 13.903 0.000 -4.835) 14.719 5.816 ( 8.680 0.000 -12.048) 14.849 6.737 ( 4.018 0.000 5.329) 6.674 6.960 ( -2.575 0.000 7.248) 7.692 7.054 ( -3.969 0.000 3.927) 5.584 7.057 ( 1.769 0.000 -3.418) 3.849 7.263 ( -4.528 0.000 -3.133) 5.506 7.499 ( -2.655 0.000 7.251) 7.722 7.584 ( -0.521 0.000 -7.277) 7.296 7.770 ( 0.641 0.000 -2.118) 2.212 7.830 ( 1.135 0.000 0.581) 1.275 7.850 ( -2.327 0.000 0.102) 2.329 7.980 ( -1.770 0.000 1.504) 2.323 8.058 ( -0.078 0.000 -0.860) 0.863 8.324 ( -1.793 0.000 5.482) 5.768 8.701 ( -1.330 0.000 1.714) 2.169 8.755 ( 0.718 0.000 2.684) 2.778 9.168 ( 3.895 0.000 5.740) 6.937 9.331 ( -1.755 0.000 -1.748) 2.478 9.356 ( -6.349 0.000 1.124) 6.448 9.631 ( -14.919 0.000 -9.047) 17.447 9.887 ( 5.735 0.000 -9.851) 11.398 10.020 ( 0.709 0.000 5.180) 5.229 10.399 ( -0.897 0.000 2.427) 2.588 10.552 ( 0.025 0.000 -3.064) 3.064 10.584 ( 2.144 0.000 -8.123) 8.401 10.630 ( -10.371 0.000 4.341) 11.243 11.006 ( -7.510 0.000 -4.541) 8.776 11.357 ( 3.837 0.000 3.692) 5.325 11.528 ( 0.578 0.000 -1.232) 1.360 11.869 ( 0.257 0.000 5.429) 5.435 12.232 ( -1.756 0.000 -4.692) 5.010 12.683 ( -5.308 0.000 7.444) 9.142 12.690 ( -2.825 0.000 9.700) 10.103 13.334 ( -5.224 0.000 -8.789) 10.224 13.410 ( 2.016 0.000 -8.133) 8.379 14.505 ( -4.076 0.000 5.534) 6.873 15.096 ( -2.998 0.000 -10.278) 10.707 15.251 ( -1.106 0.000 5.036) 5.156 15.417 ( 3.783 0.000 7.005) 7.961 15.526 ( -5.595 0.000 3.749) 6.735 16.292 ( 0.708 0.000 -6.700) 6.738 16.568 ( -0.157 0.000 7.137) 7.139 16.983 ( 7.444 0.000 2.943) 8.005 17.098 ( -0.715 0.000 -4.963) 5.014 17.224 ( 7.933 0.000 -2.926) 8.455 24.489 ( 0.189 0.000 2.397) 2.405 24.683 ( -0.234 0.000 2.360) 2.372 24.710 ( 0.878 0.000 6.137) 6.200 24.778 ( -0.084 0.000 -6.758) 6.759 24.991 ( -0.174 0.000 -0.533) 0.561 25.131 ( -0.282 0.000 8.888) 8.892 25.349 ( 1.917 0.000 -4.574) 4.959 25.596 ( -5.545 0.000 -5.520) 7.824 27.090 ( -2.796 0.000 2.647) 3.851 27.366 ( -0.558 0.000 -5.545) 5.573 27.468 ( -3.787 0.000 0.634) 3.840 27.610 ( -2.310 0.000 -2.011) 3.063 27.756 ( -1.242 0.000 8.324) 8.417 28.121 ( -3.490 0.000 -3.100) 4.668 28.299 ( 2.707 0.000 11.806) 12.113 29.404 ( 3.828 0.000 -16.265) 16.710 ======================= Grid point 67 (25/60) ======================= q-point: (-0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.000 0.000 1.985) 1.985 1.335 ( 0.000 0.000 -0.264) 0.264 1.691 ( 0.000 0.000 10.394) 10.394 1.958 ( -0.000 0.000 2.566) 2.566 1.964 ( 0.000 0.000 2.063) 2.063 2.184 ( 0.000 0.000 -2.711) 2.711 2.208 ( 0.000 0.000 -1.777) 1.777 2.234 ( -0.000 0.000 -3.624) 3.624 2.241 ( 0.000 0.000 5.253) 5.253 2.545 ( -0.000 0.000 -2.659) 2.659 2.571 ( 0.000 0.000 16.434) 16.434 2.574 ( 0.000 0.000 4.974) 4.974 3.171 ( 0.000 0.000 -7.871) 7.871 3.304 ( 0.000 0.000 1.306) 1.306 3.543 ( 0.000 0.000 -7.866) 7.866 3.618 ( 0.000 0.000 6.023) 6.023 3.670 ( 0.000 0.000 -4.284) 4.284 3.798 ( 0.000 0.000 -4.961) 4.961 3.799 ( 0.000 0.000 -1.407) 1.407 3.824 ( 0.000 0.000 0.145) 0.145 3.828 ( 0.000 0.000 7.949) 7.949 4.036 ( 0.000 0.000 0.566) 0.566 4.040 ( 0.000 0.000 0.774) 0.774 4.173 ( 0.000 0.000 2.441) 2.441 4.216 ( 0.000 0.000 -4.415) 4.415 4.434 ( 0.000 0.000 7.315) 7.315 4.506 ( 0.000 0.000 -4.466) 4.466 4.705 ( 0.000 0.000 9.270) 9.270 4.791 ( 0.000 0.000 -4.107) 4.107 4.834 ( 0.000 0.000 0.388) 0.388 4.902 ( 0.000 0.000 5.475) 5.475 4.905 ( 0.000 0.000 -1.234) 1.234 5.157 ( 0.000 0.000 2.027) 2.027 5.379 ( 0.000 0.000 -6.409) 6.409 5.604 ( 0.000 0.000 -5.915) 5.915 5.913 ( 0.000 0.000 -12.101) 12.101 6.826 ( -0.000 0.000 4.473) 4.473 6.883 ( 0.000 0.000 5.732) 5.732 7.015 ( 0.000 0.000 5.869) 5.869 7.091 ( 0.000 0.000 -2.735) 2.735 7.199 ( 0.000 0.000 -3.624) 3.624 7.469 ( 0.000 0.000 7.462) 7.462 7.577 ( 0.000 0.000 -7.531) 7.531 7.784 ( 0.000 0.000 -3.576) 3.576 7.831 ( 0.000 0.000 1.187) 1.187 7.860 ( 0.000 0.000 0.014) 0.014 7.944 ( 0.000 0.000 2.834) 2.834 8.048 ( 0.000 0.000 -0.694) 0.694 8.305 ( 0.000 0.000 4.814) 4.814 8.675 ( 0.000 0.000 -2.846) 2.846 8.771 ( 0.000 0.000 5.638) 5.638 9.216 ( 0.000 0.000 7.784) 7.784 9.278 ( 0.000 0.000 1.228) 1.228 9.347 ( 0.000 0.000 -0.536) 0.536 9.409 ( 0.000 0.000 -9.361) 9.361 9.955 ( 0.000 0.000 -10.906) 10.906 10.028 ( 0.000 0.000 5.257) 5.257 10.399 ( 0.000 0.000 2.200) 2.200 10.503 ( -0.000 0.000 5.018) 5.018 10.552 ( 0.000 0.000 -2.798) 2.798 10.606 ( 0.000 0.000 -8.037) 8.037 10.923 ( 0.000 0.000 -4.511) 4.511 11.401 ( 0.000 0.000 2.925) 2.925 11.531 ( 0.000 0.000 -0.365) 0.365 11.876 ( 0.000 0.000 4.130) 4.130 12.217 ( 0.000 0.000 -4.908) 4.908 12.629 ( 0.000 0.000 8.044) 8.044 12.659 ( 0.000 0.000 10.505) 10.505 13.274 ( 0.000 0.000 -8.839) 8.839 13.428 ( 0.000 0.000 -9.595) 9.595 14.464 ( 0.000 0.000 5.608) 5.608 15.067 ( 0.000 0.000 -10.636) 10.636 15.239 ( 0.000 0.000 3.902) 3.902 15.426 ( 0.000 0.000 -1.266) 1.266 15.496 ( 0.000 0.000 12.826) 12.826 16.297 ( 0.000 0.000 -4.245) 4.245 16.568 ( 0.000 0.000 5.722) 5.722 17.062 ( 0.000 0.000 3.091) 3.091 17.089 ( 0.000 0.000 -5.091) 5.091 17.308 ( 0.000 0.000 -2.959) 2.959 24.491 ( 0.000 0.000 2.010) 2.010 24.680 ( 0.000 0.000 2.941) 2.941 24.721 ( 0.000 0.000 6.503) 6.503 24.778 ( 0.000 0.000 -7.719) 7.719 24.988 ( 0.000 0.000 -1.148) 1.148 25.128 ( 0.000 0.000 8.821) 8.821 25.394 ( 0.000 0.000 -6.825) 6.825 25.510 ( 0.000 0.000 -3.262) 3.262 27.060 ( 0.000 0.000 2.850) 2.850 27.358 ( 0.000 0.000 -6.600) 6.600 27.427 ( 0.000 0.000 1.761) 1.761 27.584 ( 0.000 0.000 -2.155) 2.155 27.744 ( 0.000 0.000 7.689) 7.689 28.072 ( 0.000 0.000 -2.449) 2.449 28.340 ( 0.000 0.000 12.057) 12.057 29.444 ( 0.000 0.000 -15.318) 15.318 ======================= Grid point 72 (26/60) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 22.632 17.336) 28.508 0.914 ( 0.000 19.274 23.538) 30.422 1.363 ( 0.000 32.215 19.460) 37.636 1.675 ( 0.000 0.439 4.043) 4.067 1.708 ( 0.000 19.103 8.234) 20.802 1.854 ( 0.000 3.425 -5.896) 6.818 2.076 ( 0.000 3.184 -12.879) 13.267 2.081 ( 0.000 8.612 -9.683) 12.959 2.164 ( 0.000 10.844 0.085) 10.844 2.682 ( 0.000 2.935 4.036) 4.991 2.841 ( 0.000 -1.647 -1.215) 2.047 2.923 ( 0.000 -2.591 -0.550) 2.649 2.942 ( 0.000 -0.593 -3.595) 3.643 3.052 ( 0.000 -1.913 -6.230) 6.517 3.146 ( 0.000 -1.236 -6.619) 6.734 3.312 ( 0.000 -1.901 5.529) 5.846 3.392 ( 0.000 -0.409 -2.134) 2.173 3.413 ( 0.000 -3.343 7.165) 7.906 3.703 ( 0.000 -8.624 -3.568) 9.332 3.717 ( 0.000 4.748 1.807) 5.080 3.748 ( 0.000 2.022 3.138) 3.733 3.793 ( 0.000 -5.703 -3.443) 6.662 3.848 ( 0.000 -0.518 2.446) 2.500 3.889 ( 0.000 -3.258 -1.586) 3.624 3.991 ( 0.000 0.745 -2.061) 2.192 4.115 ( 0.000 0.099 3.239) 3.240 4.192 ( 0.000 -8.668 11.216) 14.175 4.274 ( 0.000 -12.948 18.349) 22.458 4.503 ( 0.000 5.399 -5.781) 7.910 4.692 ( 0.000 -4.709 3.086) 5.630 4.835 ( 0.000 0.462 -1.258) 1.340 4.889 ( 0.000 -8.255 -2.604) 8.656 5.025 ( 0.000 1.015 -1.256) 1.615 5.083 ( 0.000 1.591 1.152) 1.964 5.112 ( 0.000 2.702 0.398) 2.731 5.160 ( 0.000 -5.568 -6.722) 8.729 6.915 ( 0.000 5.815 7.117) 9.191 7.028 ( 0.000 2.413 7.726) 8.094 7.125 ( 0.000 1.179 4.095) 4.262 7.384 ( 0.000 9.897 -8.236) 12.875 7.429 ( 0.000 -0.906 -2.677) 2.826 7.585 ( 0.000 3.054 -6.606) 7.278 7.812 ( 0.000 -2.105 1.611) 2.651 7.816 ( 0.000 5.165 -0.109) 5.166 7.833 ( 0.000 0.938 0.355) 1.003 7.987 ( 0.000 -1.942 2.489) 3.157 7.999 ( 0.000 -5.204 5.564) 7.618 8.387 ( 0.000 0.351 2.000) 2.030 8.528 ( 0.000 -0.839 -13.550) 13.576 8.544 ( 0.000 1.338 -2.833) 3.133 8.695 ( 0.000 7.263 5.585) 9.162 8.905 ( 0.000 -5.099 7.663) 9.205 9.011 ( 0.000 5.355 -2.887) 6.084 9.391 ( 0.000 -13.371 -2.013) 13.521 9.571 ( 0.000 -1.490 -0.416) 1.547 9.708 ( 0.000 6.876 -10.388) 12.458 9.929 ( 0.000 -2.603 3.994) 4.767 10.480 ( 0.000 -0.133 -10.076) 10.077 10.538 ( 0.000 -6.356 2.160) 6.713 10.601 ( 0.000 2.247 -1.713) 2.825 10.996 ( 0.000 -8.444 3.695) 9.217 11.119 ( 0.000 -3.270 5.854) 6.706 11.275 ( 0.000 -7.792 -3.762) 8.653 11.441 ( 0.000 -5.799 -2.869) 6.470 12.061 ( 0.000 -10.432 21.571) 23.961 12.782 ( 0.000 -2.581 3.502) 4.350 12.939 ( 0.000 4.359 -18.354) 18.864 13.067 ( 0.000 1.181 -3.439) 3.636 13.434 ( 0.000 15.139 7.082) 16.713 13.908 ( 0.000 19.404 -6.991) 20.625 14.849 ( 0.000 -5.769 5.258) 7.805 15.085 ( 0.000 -0.657 4.276) 4.326 15.346 ( 0.000 1.295 -5.009) 5.173 15.478 ( 0.000 -18.585 19.313) 26.803 15.606 ( 0.000 -2.622 -9.369) 9.729 16.013 ( 0.000 -4.173 -5.973) 7.286 16.312 ( 0.000 0.808 2.695) 2.813 16.431 ( 0.000 5.506 -0.746) 5.556 16.563 ( 0.000 -1.092 10.019) 10.079 17.104 ( 0.000 -1.898 -5.016) 5.363 24.481 ( 0.000 0.289 3.397) 3.410 24.684 ( 0.000 -0.981 1.251) 1.589 24.756 ( 0.000 -2.568 3.217) 4.116 24.792 ( 0.000 -1.367 -5.496) 5.663 25.015 ( 0.000 -1.158 14.054) 14.101 25.133 ( 0.000 0.174 8.962) 8.963 25.739 ( 0.000 3.518 -7.294) 8.098 25.974 ( 0.000 17.616 -26.706) 31.992 27.456 ( 0.000 -2.528 3.700) 4.481 27.487 ( 0.000 -6.545 1.939) 6.827 27.625 ( 0.000 -4.966 -1.917) 5.323 27.721 ( 0.000 -4.172 -1.733) 4.518 27.819 ( 0.000 6.871 2.755) 7.402 27.970 ( 0.000 -12.294 24.009) 26.974 28.000 ( 0.000 10.238 -1.935) 10.419 28.849 ( 0.000 -2.035 -12.201) 12.370 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.12 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 11.859 13.874 15.374) 23.864 1.078 ( 14.668 18.695 15.305) 28.265 1.585 ( 9.738 16.806 5.234) 20.116 1.668 ( 3.253 10.583 5.511) 12.367 1.738 ( 2.715 6.417 2.452) 7.386 1.881 ( 2.127 16.381 5.078) 17.282 1.937 ( -1.413 0.057 -2.820) 3.155 2.134 ( 0.172 8.778 -2.928) 9.255 2.238 ( 6.128 10.854 -4.802) 13.357 2.780 ( 1.329 2.511 -0.588) 2.901 2.826 ( 5.990 -0.188 -2.992) 6.698 2.876 ( 0.387 -4.386 1.821) 4.765 3.015 ( 0.163 -1.494 -6.749) 6.914 3.146 ( 8.458 -2.048 -3.878) 9.527 3.210 ( 4.198 -0.297 -3.364) 5.387 3.291 ( 0.928 -0.208 5.114) 5.202 3.431 ( 5.739 0.152 0.469) 5.760 3.508 ( 3.902 -5.918 4.905) 8.620 3.671 ( -1.030 -5.895 -0.930) 6.056 3.715 ( 0.240 4.055 -3.551) 5.396 3.758 ( 3.476 -2.099 -0.767) 4.133 3.793 ( -0.876 -2.041 -0.838) 2.374 3.917 ( 4.140 2.309 3.601) 5.953 3.963 ( 1.870 -5.400 3.288) 6.593 4.049 ( 8.983 -2.025 0.475) 9.221 4.123 ( -4.614 -5.777 15.585) 17.249 4.228 ( 9.903 0.989 1.200) 10.024 4.306 ( 5.128 -3.588 4.105) 7.485 4.551 ( 4.426 4.911 -2.729) 7.152 4.701 ( -0.296 -2.955 1.129) 3.177 4.835 ( -1.271 -0.461 -0.485) 1.436 4.848 ( -0.695 2.149 -1.312) 2.612 4.932 ( 1.280 -4.790 -0.991) 5.056 5.067 ( -3.114 -1.197 -5.462) 6.400 5.127 ( 0.552 0.805 0.197) 0.995 5.344 ( 10.409 -5.327 -6.010) 13.147 6.821 ( -5.838 4.541 6.408) 9.786 7.035 ( -0.299 2.191 7.590) 7.906 7.162 ( 1.451 2.506 3.623) 4.638 7.275 ( -8.038 11.222 -7.413) 15.669 7.415 ( -1.563 -0.557 -2.667) 3.141 7.579 ( -1.410 -0.131 -0.894) 1.675 7.705 ( -5.123 3.726 2.015) 6.648 7.801 ( -1.179 1.486 -1.734) 2.570 7.890 ( 3.162 -1.049 1.269) 3.565 7.933 ( -3.330 1.112 5.155) 6.237 7.995 ( -0.148 -1.482 -1.043) 1.818 8.080 ( -8.598 3.159 0.503) 9.174 8.453 ( 3.813 -2.011 5.363) 6.881 8.604 ( -3.239 8.958 6.039) 11.279 8.888 ( 4.435 -2.253 -1.909) 5.329 8.949 ( 0.093 2.186 0.841) 2.344 9.274 ( 8.285 -11.873 -8.042) 16.561 9.478 ( 9.257 -17.480 -5.724) 20.591 9.532 ( -3.400 -2.372 -0.001) 4.146 9.763 ( 4.608 3.086 -12.644) 13.807 9.958 ( 2.501 -1.496 4.231) 5.137 10.452 ( -0.415 -2.012 -6.235) 6.564 10.532 ( -1.625 -1.942 -0.067) 2.533 10.633 ( 1.959 3.755 -4.455) 6.147 11.013 ( 1.414 -10.900 3.750) 11.613 11.048 ( -6.390 -3.008 5.669) 9.056 11.306 ( 2.182 -10.148 -4.474) 11.303 11.369 ( -5.983 -5.072 -3.016) 8.403 11.991 ( -5.429 -4.598 17.571) 18.957 12.605 ( -16.938 6.997 -7.282) 19.720 12.812 ( -4.063 -2.132 5.357) 7.053 13.142 ( 5.047 -0.951 -3.697) 6.328 13.274 ( -10.514 15.713 7.739) 20.429 13.843 ( -4.514 19.397 -9.940) 22.258 14.760 ( -8.450 -6.458 5.932) 12.178 15.135 ( 5.450 0.092 5.186) 7.524 15.293 ( -1.051 -0.860 4.443) 4.646 15.398 ( -10.829 -4.953 -3.071) 12.297 15.812 ( 7.650 -3.989 -2.196) 8.902 16.064 ( 6.253 -5.170 -10.495) 13.266 16.443 ( 10.797 -1.466 2.896) 11.274 16.557 ( 2.335 -1.167 7.966) 8.383 16.624 ( 13.519 0.351 0.213) 13.525 17.103 ( -0.146 -1.909 -4.990) 5.345 24.482 ( 0.036 0.221 3.342) 3.349 24.681 ( -0.232 -1.006 1.301) 1.661 24.741 ( -0.959 0.228 4.081) 4.198 24.787 ( -0.396 -1.032 -5.307) 5.421 25.002 ( -0.801 0.008 9.496) 9.530 25.135 ( 0.107 -0.205 9.210) 9.213 25.646 ( -10.974 11.219 -7.941) 17.588 25.798 ( -4.816 9.788 -9.917) 14.743 27.306 ( -7.448 -1.339 2.348) 7.924 27.433 ( -4.967 -1.782 0.989) 5.369 27.579 ( -0.296 -3.226 -1.337) 3.504 27.715 ( -2.121 -1.302 -2.151) 3.289 27.871 ( -2.473 -0.080 10.712) 10.994 27.918 ( 8.199 5.634 5.163) 11.208 28.410 ( 8.548 -11.075 -2.108) 14.148 28.902 ( 9.048 -6.588 -15.850) 19.404 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.25 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 10.633 8.224 6.835) 15.081 1.419 ( 15.255 12.093 7.713) 20.939 1.525 ( -5.300 5.069 -2.318) 7.691 1.700 ( 0.113 9.332 8.264) 12.466 1.843 ( 8.490 9.082 2.734) 12.729 1.963 ( 2.083 0.119 -2.463) 3.228 2.104 ( 8.321 11.727 4.551) 15.082 2.150 ( 2.258 7.347 -1.690) 7.869 2.347 ( 1.627 4.725 1.221) 5.144 2.673 ( -5.719 3.990 2.461) 7.395 2.902 ( -2.007 -2.332 -6.694) 7.367 3.009 ( 9.650 0.116 3.905) 10.411 3.090 ( -3.859 3.113 -4.296) 6.561 3.166 ( 1.724 -0.285 -0.183) 1.757 3.307 ( 8.354 2.733 -0.592) 8.809 3.505 ( 13.355 -2.856 -1.261) 13.715 3.538 ( 0.840 -7.518 3.704) 8.423 3.578 ( 6.751 -1.323 5.201) 8.625 3.674 ( 1.907 -5.334 0.992) 5.751 3.734 ( 1.524 0.127 -2.091) 2.590 3.808 ( 2.560 -0.756 -1.805) 3.222 3.901 ( 3.686 1.025 -0.575) 3.869 3.950 ( 3.114 -4.644 3.648) 6.676 4.034 ( 8.014 5.574 -1.144) 9.828 4.083 ( 1.564 1.641 1.341) 2.634 4.331 ( 14.605 -3.002 3.373) 15.287 4.402 ( 6.033 -3.167 3.298) 7.570 4.449 ( 6.812 0.207 4.261) 8.037 4.568 ( -6.620 1.532 -2.140) 7.124 4.712 ( 3.801 1.548 -1.602) 4.405 4.833 ( 1.200 1.062 0.616) 1.717 4.874 ( 1.836 0.234 -0.952) 2.081 5.031 ( 7.011 -4.029 -1.302) 8.191 5.127 ( 11.562 0.871 -4.734) 12.524 5.190 ( 5.790 2.448 0.209) 6.290 5.538 ( 9.397 -6.188 -8.590) 14.156 6.737 ( -1.583 3.509 5.406) 6.637 7.012 ( -1.875 0.843 7.053) 7.347 7.117 ( -3.900 5.669 -3.987) 7.953 7.176 ( -2.340 4.953 2.800) 6.152 7.361 ( -3.553 0.120 -2.827) 4.542 7.528 ( -2.929 -2.766 5.436) 6.766 7.652 ( -1.259 5.462 -4.733) 7.336 7.776 ( -1.174 -0.557 -2.882) 3.162 7.883 ( -1.912 2.571 1.399) 3.497 7.917 ( -5.086 -1.518 0.923) 5.387 7.949 ( 1.984 -1.612 1.135) 2.797 8.036 ( 0.759 0.131 -1.033) 1.289 8.450 ( -2.603 4.345 6.026) 7.872 8.618 ( 2.555 0.291 7.438) 7.870 8.852 ( -3.206 4.476 -3.617) 6.587 9.040 ( 3.978 -4.269 3.288) 6.698 9.295 ( -2.162 -9.108 -2.737) 9.754 9.447 ( -3.993 -1.046 1.213) 4.303 9.575 ( -2.038 -19.715 -8.756) 21.668 9.835 ( 2.719 1.921 -8.454) 9.086 10.017 ( 2.831 0.626 4.944) 5.732 10.452 ( -2.133 -1.082 1.492) 2.819 10.503 ( 1.260 0.493 -6.598) 6.735 10.659 ( 0.530 4.933 -6.489) 8.169 10.852 ( -11.034 -2.230 4.514) 12.128 11.064 ( 1.991 -14.005 2.876) 14.435 11.186 ( -8.547 -5.522 -2.426) 10.461 11.377 ( 2.624 -13.100 -4.263) 14.023 11.888 ( -3.766 1.164 10.398) 11.120 12.300 ( -10.875 4.313 -3.808) 12.303 12.730 ( -4.057 -3.355 8.132) 9.687 13.069 ( -8.348 17.452 6.503) 20.409 13.244 ( 4.112 -4.236 -5.043) 7.765 13.735 ( -5.845 18.383 -10.545) 21.984 14.574 ( -7.874 -5.843 5.700) 11.342 15.143 ( -6.756 -5.685 -9.134) 12.704 15.283 ( -1.184 0.388 8.691) 8.780 15.321 ( 6.432 2.400 8.128) 10.640 15.761 ( -7.162 5.999 -1.417) 9.450 16.230 ( 6.229 -2.329 -11.748) 13.500 16.548 ( 0.392 -2.183 9.910) 10.155 16.726 ( 12.253 -3.073 2.933) 12.968 16.951 ( 14.655 -2.467 -2.689) 15.102 17.095 ( -0.624 -1.871 -4.993) 5.369 24.483 ( 0.135 0.066 3.061) 3.064 24.675 ( -0.337 -1.238 1.615) 2.062 24.733 ( 0.323 2.688 4.035) 4.859 24.780 ( -0.238 -0.312 -5.232) 5.246 24.990 ( -0.394 -0.068 3.777) 3.798 25.134 ( -0.201 -0.272 9.184) 9.191 25.461 ( -5.388 9.126 -4.673) 11.582 25.727 ( -4.022 3.331 -7.372) 9.034 27.172 ( -5.241 -0.404 2.390) 5.774 27.372 ( -1.567 -1.525 -1.832) 2.853 27.522 ( -4.476 -3.186 -2.018) 5.853 27.653 ( -3.427 -1.888 -2.126) 4.452 27.823 ( -1.752 2.484 9.745) 10.208 28.107 ( 7.966 3.477 4.529) 9.801 28.357 ( -6.586 -1.300 0.496) 6.732 29.140 ( 9.915 -11.149 -15.866) 21.779 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.38 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.506 7.478 -1.435) 7.631 1.418 ( 0.347 6.434 -0.947) 6.513 1.661 ( 4.881 3.998 8.513) 10.597 1.841 ( 11.289 3.327 6.395) 13.394 2.005 ( 2.395 2.250 -1.791) 3.743 2.030 ( 7.709 6.193 0.969) 9.936 2.173 ( 2.858 4.760 1.168) 5.674 2.243 ( 3.683 8.548 -1.145) 9.377 2.312 ( -2.027 1.002 4.798) 5.304 2.572 ( -3.900 4.881 1.179) 6.357 2.786 ( -9.565 5.010 8.312) 13.627 2.903 ( -8.384 2.310 -0.214) 8.699 3.158 ( 0.315 0.296 -3.487) 3.514 3.220 ( 5.620 0.076 -2.005) 5.967 3.464 ( 4.677 0.724 -4.643) 6.630 3.531 ( -0.424 -10.360 -1.918) 10.544 3.619 ( 0.882 -1.548 3.648) 4.060 3.729 ( 3.601 -3.565 1.970) 5.437 3.766 ( 1.916 -2.030 0.377) 2.817 3.782 ( 4.364 0.417 -4.007) 5.939 3.909 ( 1.425 1.106 4.131) 4.507 3.964 ( 1.642 -0.260 3.619) 3.983 3.991 ( 9.958 -0.823 0.209) 9.994 4.072 ( -0.441 2.269 -1.615) 2.820 4.270 ( 2.161 -2.356 -4.408) 5.446 4.420 ( -3.204 -1.122 2.657) 4.311 4.507 ( 4.635 2.324 -2.531) 5.769 4.555 ( 4.535 -0.966 4.416) 6.403 4.685 ( 16.543 2.415 5.724) 17.671 4.792 ( 3.817 2.449 0.345) 4.548 4.875 ( 2.917 2.217 0.476) 3.695 4.913 ( 2.007 1.769 -0.326) 2.695 5.136 ( 2.883 -1.164 1.487) 3.447 5.325 ( 6.775 2.208 -4.697) 8.535 5.463 ( 14.268 0.464 -3.628) 14.729 5.747 ( 9.188 -5.809 -9.669) 14.548 6.754 ( 2.786 1.754 4.729) 5.762 6.952 ( -3.901 -1.119 5.580) 6.900 7.077 ( -0.166 2.425 -3.046) 3.897 7.122 ( -2.175 6.035 4.080) 7.603 7.274 ( -4.288 0.830 -3.235) 5.435 7.468 ( -2.475 -2.538 6.327) 7.252 7.631 ( -0.773 4.566 -6.558) 8.029 7.757 ( -0.492 -2.261 -3.208) 3.955 7.835 ( -2.415 -1.848 0.955) 3.187 7.853 ( -0.687 0.696 0.505) 1.101 7.963 ( -0.592 -0.455 1.541) 1.712 8.054 ( 0.911 0.121 -0.982) 1.345 8.399 ( -2.142 6.695 5.265) 8.782 8.654 ( 0.733 -3.330 6.273) 7.140 8.793 ( -2.356 4.743 -3.287) 6.233 9.066 ( -1.147 -9.645 3.547) 10.340 9.239 ( -2.141 -7.887 -3.388) 8.847 9.387 ( -3.576 -2.923 -0.720) 4.674 9.429 ( -7.296 -8.865 -1.927) 11.642 9.913 ( 4.088 2.284 -7.481) 8.826 10.064 ( 1.358 2.258 5.371) 5.983 10.404 ( -1.339 0.558 1.856) 2.356 10.551 ( 2.436 0.595 -5.123) 5.703 10.608 ( -8.462 -1.215 4.008) 9.442 10.676 ( -1.514 4.292 -7.457) 8.736 10.974 ( -6.771 -2.908 -4.502) 8.635 11.156 ( 2.395 -19.128 4.571) 19.812 11.412 ( 0.736 -14.672 -2.955) 14.985 11.836 ( -1.374 1.801 5.594) 6.036 12.144 ( -4.404 -0.228 -3.267) 5.488 12.654 ( -2.845 -3.389 9.000) 10.029 12.942 ( -3.714 19.672 6.900) 21.175 13.311 ( 2.551 -5.713 -7.449) 9.728 13.608 ( -5.704 18.103 -9.552) 21.248 14.453 ( -3.687 -5.002 5.580) 8.352 15.040 ( -2.736 -5.115 -10.393) 11.902 15.258 ( -1.026 0.821 5.950) 6.093 15.448 ( 4.695 2.221 10.069) 11.329 15.611 ( -6.172 7.874 -0.177) 10.006 16.308 ( 1.710 1.420 -6.832) 7.184 16.560 ( 0.744 -0.671 6.879) 6.952 16.937 ( 7.185 -4.234 3.172) 8.922 17.080 ( -0.666 -1.763 -4.998) 5.341 17.193 ( 7.966 -2.884 -3.081) 9.014 24.487 ( 0.152 -0.068 2.503) 2.508 24.668 ( -0.272 -1.401 2.438) 2.824 24.748 ( 0.820 3.056 4.086) 5.168 24.778 ( -0.034 0.051 -5.898) 5.898 24.984 ( -0.233 -0.438 0.797) 0.939 25.129 ( -0.233 -0.224 8.974) 8.979 25.413 ( 0.455 5.342 -4.897) 7.261 25.618 ( -5.971 1.903 -6.044) 8.706 27.088 ( -2.722 -0.120 2.821) 3.922 27.353 ( -0.330 -1.833 -2.843) 3.399 27.426 ( -4.033 -3.071 -1.087) 5.184 27.587 ( -2.470 -2.259 -2.343) 4.086 27.799 ( -0.598 4.281 7.844) 8.956 28.161 ( -2.741 3.940 -3.096) 5.712 28.313 ( 2.859 1.052 10.323) 10.763 29.288 ( 4.433 -10.263 -14.132) 18.019 ======================= Grid point 76 (30/60) ======================= q-point: (-0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.000 4.529 -0.928) 4.624 1.442 ( -0.000 10.553 -1.370) 10.641 1.711 ( 0.000 1.894 8.088) 8.307 1.957 ( 0.000 -0.407 2.275) 2.311 2.075 ( 0.000 9.789 1.384) 9.886 2.090 ( -0.000 -8.559 -3.031) 9.080 2.213 ( -0.000 -0.478 -1.534) 1.607 2.283 ( -0.000 8.272 -2.799) 8.733 2.342 ( -0.000 10.579 7.416) 12.920 2.561 ( -0.000 4.267 11.218) 12.002 2.586 ( 0.000 2.539 1.800) 3.112 2.795 ( 0.000 11.281 6.719) 13.130 3.172 ( 0.000 0.042 -5.428) 5.429 3.275 ( -0.000 -1.822 -2.328) 2.957 3.513 ( -0.000 -11.081 -4.431) 11.934 3.520 ( 0.000 -1.900 -4.660) 5.033 3.626 ( 0.000 -0.633 4.052) 4.101 3.772 ( -0.000 -3.979 0.811) 4.061 3.776 ( 0.000 -1.878 -1.497) 2.401 3.844 ( -0.000 3.928 -7.117) 8.129 3.897 ( 0.000 2.295 5.127) 5.618 3.981 ( -0.000 -4.643 0.878) 4.725 4.063 ( 0.000 1.023 -1.258) 1.621 4.142 ( -0.000 0.261 6.408) 6.413 4.237 ( 0.000 1.424 -4.267) 4.498 4.393 ( 0.000 -3.157 7.111) 7.780 4.567 ( 0.000 4.138 -4.124) 5.842 4.597 ( 0.000 -4.505 2.544) 5.174 4.834 ( 0.000 -0.412 0.457) 0.615 4.887 ( 0.000 0.702 1.266) 1.448 4.938 ( 0.000 7.454 2.833) 7.974 4.944 ( -0.000 2.695 3.133) 4.133 5.166 ( 0.000 0.792 1.645) 1.826 5.404 ( 0.000 2.460 -6.226) 6.694 5.623 ( 0.000 1.019 -4.357) 4.474 5.851 ( 0.000 -5.212 -9.726) 11.035 6.813 ( 0.000 -0.795 4.025) 4.103 6.880 ( -0.000 -0.214 5.655) 5.659 7.085 ( 0.000 -0.364 -3.247) 3.267 7.099 ( 0.000 7.495 5.156) 9.098 7.218 ( -0.000 1.653 -3.717) 4.068 7.439 ( 0.000 -2.549 6.773) 7.237 7.622 ( 0.000 4.292 -7.155) 8.344 7.754 ( 0.000 -3.016 -3.399) 4.544 7.812 ( 0.000 -2.660 1.206) 2.920 7.852 ( 0.000 -1.501 0.142) 1.508 7.949 ( -0.000 0.581 2.420) 2.489 8.067 ( -0.000 1.461 -1.064) 1.807 8.372 ( 0.000 6.769 4.564) 8.164 8.656 ( 0.000 -2.989 4.101) 5.075 8.764 ( 0.000 2.403 -2.009) 3.132 9.042 ( 0.000 -11.063 3.940) 11.744 9.249 ( 0.000 -11.405 -7.800) 13.817 9.252 ( -0.000 -8.568 -1.644) 8.725 9.401 ( 0.000 6.534 5.168) 8.331 9.965 ( 0.000 1.129 -8.119) 8.197 10.075 ( 0.000 2.748 5.446) 6.100 10.398 ( 0.000 0.009 1.403) 1.403 10.496 ( -0.000 -0.423 5.346) 5.362 10.585 ( -0.000 2.312 -4.398) 4.968 10.660 ( 0.000 2.822 -8.610) 9.061 10.898 ( 0.000 -1.795 -4.582) 4.921 11.185 ( 0.000 -21.069 4.250) 21.494 11.417 ( 0.000 -14.877 -1.903) 14.998 11.823 ( 0.000 1.511 4.042) 4.316 12.100 ( 0.000 -2.108 -3.302) 3.918 12.623 ( 0.000 -3.471 9.611) 10.218 12.905 ( 0.000 20.637 7.295) 21.888 13.345 ( 0.000 -7.676 -9.123) 11.923 13.535 ( 0.000 19.720 -8.849) 21.615 14.415 ( 0.000 -4.642 5.622) 7.291 15.015 ( -0.000 -4.943 -10.819) 11.894 15.246 ( 0.000 0.881 4.868) 4.947 15.512 ( 0.000 1.125 13.469) 13.516 15.527 ( -0.000 9.330 -2.533) 9.668 16.322 ( 0.000 2.249 -4.218) 4.780 16.570 ( 0.000 0.187 4.916) 4.920 17.013 ( 0.000 -4.496 3.342) 5.602 17.072 ( 0.000 -1.689 -5.107) 5.379 17.277 ( 0.000 -2.902 -3.134) 4.272 24.488 ( -0.000 -0.116 2.163) 2.166 24.665 ( 0.000 -1.440 2.945) 3.278 24.758 ( 0.000 3.150 5.395) 6.247 24.777 ( 0.000 -0.057 -7.498) 7.498 24.981 ( 0.000 -0.499 -0.085) 0.507 25.126 ( 0.000 -0.217 8.839) 8.842 25.446 ( 0.000 4.435 -7.022) 8.306 25.524 ( -0.000 1.279 -3.535) 3.760 27.059 ( 0.000 -0.049 2.966) 2.966 27.356 ( 0.000 -0.277 -6.043) 6.049 27.375 ( -0.000 -4.605 2.301) 5.148 27.560 ( 0.000 -2.300 -2.392) 3.318 27.793 ( 0.000 4.856 7.062) 8.570 28.122 ( 0.000 4.834 -2.641) 5.508 28.353 ( 0.000 0.878 10.633) 10.669 29.334 ( 0.000 -9.950 -13.571) 16.828 ======================= Grid point 81 (31/60) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.000 14.343 15.069) 20.803 1.325 ( 0.000 25.509 9.373) 27.176 1.678 ( 0.000 -0.371 2.010) 2.044 1.911 ( 0.000 2.034 -4.823) 5.234 1.985 ( 0.000 20.236 -3.967) 20.621 2.097 ( 0.000 9.742 -4.275) 10.638 2.216 ( 0.000 10.209 -12.715) 16.306 2.272 ( 0.000 15.077 -4.877) 15.846 2.514 ( 0.000 23.051 13.975) 26.957 2.720 ( 0.000 -9.533 1.269) 9.617 2.759 ( 0.000 4.000 1.106) 4.150 2.924 ( 0.000 -1.292 -3.040) 3.303 2.948 ( 0.000 0.346 -2.558) 2.581 2.996 ( 0.000 -1.885 -6.150) 6.433 3.135 ( 0.000 4.976 -6.604) 8.268 3.242 ( 0.000 -5.409 3.914) 6.677 3.311 ( 0.000 -6.644 6.619) 9.378 3.344 ( 0.000 -3.175 8.337) 8.921 3.498 ( 0.000 -10.375 -0.888) 10.413 3.636 ( 0.000 -7.331 1.321) 7.449 3.716 ( 0.000 -3.861 9.026) 9.817 3.843 ( 0.000 -0.155 3.150) 3.154 3.865 ( 0.000 3.772 -4.116) 5.583 3.906 ( 0.000 8.001 -3.419) 8.701 4.026 ( 0.000 -3.068 13.908) 14.242 4.026 ( 0.000 2.234 -2.154) 3.104 4.090 ( 0.000 -2.618 2.415) 3.562 4.221 ( 0.000 0.464 2.958) 2.994 4.527 ( 0.000 -11.537 4.427) 12.357 4.592 ( 0.000 -1.467 -9.080) 9.198 4.747 ( 0.000 -1.037 -1.252) 1.626 4.850 ( 0.000 0.854 -4.213) 4.299 5.042 ( 0.000 -0.735 -2.812) 2.907 5.071 ( 0.000 -0.567 -2.143) 2.217 5.098 ( 0.000 -0.269 2.306) 2.321 5.156 ( 0.000 1.204 0.771) 1.430 7.034 ( 0.000 4.533 8.974) 10.054 7.074 ( 0.000 1.629 5.739) 5.965 7.182 ( 0.000 4.255 4.485) 6.183 7.404 ( 0.000 -0.628 -1.783) 1.890 7.452 ( 0.000 -1.188 0.877) 1.477 7.688 ( 0.000 5.801 -7.384) 9.390 7.689 ( 0.000 -8.518 1.346) 8.624 7.858 ( 0.000 1.906 1.242) 2.275 7.935 ( 0.000 -1.838 -0.509) 1.907 7.941 ( 0.000 6.507 -1.227) 6.622 7.986 ( 0.000 0.739 0.756) 1.058 8.405 ( 0.000 1.632 2.131) 2.684 8.454 ( 0.000 -6.110 -12.743) 14.132 8.572 ( 0.000 1.914 -2.376) 3.051 8.778 ( 0.000 -7.626 5.302) 9.288 8.949 ( 0.000 16.683 4.093) 17.178 9.054 ( 0.000 -16.492 -1.862) 16.597 9.184 ( 0.000 11.482 -2.511) 11.754 9.552 ( 0.000 0.282 0.973) 1.013 9.793 ( 0.000 1.099 -7.590) 7.669 9.851 ( 0.000 -4.726 4.649) 6.629 10.304 ( 0.000 -16.250 5.469) 17.146 10.476 ( 0.000 -0.210 -11.007) 11.009 10.641 ( 0.000 0.185 -4.479) 4.482 10.846 ( 0.000 -4.336 3.345) 5.476 11.028 ( 0.000 -5.192 5.581) 7.622 11.048 ( 0.000 -11.203 -2.778) 11.543 11.282 ( 0.000 -8.952 -1.877) 9.147 12.079 ( 0.000 8.590 13.901) 16.341 12.697 ( 0.000 -5.726 4.708) 7.413 13.000 ( 0.000 2.665 -15.326) 15.556 13.089 ( 0.000 0.721 -4.890) 4.943 13.757 ( 0.000 16.238 10.262) 19.209 14.334 ( 0.000 20.188 -7.992) 21.712 14.671 ( 0.000 -11.009 6.041) 12.558 15.066 ( 0.000 -1.611 1.328) 2.087 15.246 ( 0.000 -6.070 12.811) 14.176 15.333 ( 0.000 -3.822 -4.607) 5.986 15.577 ( 0.000 1.247 -6.103) 6.229 15.904 ( 0.000 -5.855 -7.474) 9.494 16.341 ( 0.000 2.046 4.050) 4.538 16.527 ( 0.000 -2.409 8.835) 9.157 16.578 ( 0.000 8.306 -2.416) 8.651 17.040 ( 0.000 -4.326 -4.982) 6.598 24.497 ( 0.000 1.294 2.950) 3.222 24.650 ( 0.000 -2.352 1.594) 2.841 24.758 ( 0.000 0.942 -1.442) 1.723 24.765 ( 0.000 -0.952 -4.903) 4.995 25.036 ( 0.000 2.333 14.938) 15.119 25.135 ( 0.000 -0.061 9.993) 9.993 25.837 ( 0.000 5.647 -8.700) 10.372 26.140 ( 0.000 1.125 -19.272) 19.305 27.374 ( 0.000 -4.167 2.637) 4.931 27.382 ( 0.000 -3.646 5.266) 6.405 27.551 ( 0.000 -1.979 -2.114) 2.896 27.658 ( 0.000 -2.734 -3.205) 4.213 27.886 ( 0.000 1.286 15.112) 15.166 27.941 ( 0.000 4.400 3.791) 5.808 28.215 ( 0.000 10.127 -3.073) 10.583 28.729 ( 0.000 -7.525 -9.479) 12.103 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.12 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 5.225 13.565 10.605) 17.994 1.481 ( 10.351 19.842 7.550) 23.618 1.715 ( 3.326 0.174 2.701) 4.288 1.878 ( -9.979 6.577 -7.475) 14.097 1.929 ( 1.545 2.259 -4.459) 5.232 2.100 ( 3.848 22.693 -0.330) 23.019 2.296 ( 3.227 12.549 -3.664) 13.465 2.315 ( 3.038 9.204 -7.213) 12.081 2.506 ( -1.192 17.068 10.341) 19.992 2.706 ( -1.433 -9.333 1.786) 9.610 2.858 ( 3.417 0.529 -4.833) 5.942 2.933 ( 5.102 4.323 -0.121) 6.688 2.957 ( 5.597 0.291 -2.984) 6.349 3.097 ( 7.885 -2.682 -3.862) 9.180 3.223 ( 2.921 3.673 1.186) 4.840 3.270 ( 5.103 -2.302 -1.033) 5.693 3.356 ( 4.231 -4.958 5.715) 8.669 3.401 ( 4.042 -4.020 8.408) 10.158 3.518 ( 2.155 -7.463 0.312) 7.774 3.632 ( 1.756 -5.926 0.865) 6.241 3.772 ( 0.948 -4.351 -0.213) 4.458 3.818 ( 1.846 -0.719 5.812) 6.140 3.885 ( -0.350 6.036 -1.178) 6.160 3.979 ( 9.416 3.035 4.586) 10.904 4.043 ( 3.536 0.659 4.182) 5.516 4.084 ( 3.758 1.729 0.516) 4.168 4.230 ( 10.420 -2.778 1.252) 10.856 4.259 ( 3.341 0.619 2.000) 3.943 4.580 ( 4.834 -7.299 2.854) 9.209 4.637 ( 4.527 -1.510 -6.677) 8.206 4.725 ( -1.544 -3.802 -2.949) 5.053 4.876 ( 1.993 1.044 -4.081) 4.660 4.946 ( -3.949 2.934 1.336) 5.098 5.047 ( -0.493 0.382 -2.025) 2.118 5.141 ( 2.321 -0.156 1.449) 2.741 5.256 ( 6.424 -3.581 -2.092) 7.647 6.929 ( -6.164 5.207 7.135) 10.771 7.061 ( -1.589 0.502 5.339) 5.593 7.252 ( 3.348 5.060 4.817) 7.747 7.391 ( -1.510 0.015 -2.279) 2.733 7.424 ( -3.573 2.278 -2.294) 4.818 7.548 ( -6.670 -2.694 1.774) 7.409 7.751 ( 0.670 0.108 -3.639) 3.702 7.849 ( -0.560 0.754 0.421) 1.029 7.888 ( -2.908 3.693 -2.673) 5.407 7.927 ( -1.760 -1.921 -1.317) 2.919 7.985 ( -1.260 1.420 1.429) 2.376 8.173 ( -9.616 4.098 -3.030) 10.883 8.429 ( 1.563 0.041 3.649) 3.970 8.766 ( 2.393 -5.282 2.766) 6.425 8.827 ( 4.642 -0.553 -4.695) 6.625 8.973 ( 1.457 7.105 2.917) 7.818 9.061 ( 0.354 -16.403 -1.308) 16.459 9.226 ( 3.364 6.917 -5.052) 9.202 9.528 ( -1.492 2.286 2.115) 3.454 9.829 ( 3.063 1.536 -6.616) 7.450 9.899 ( 3.871 -4.347 4.639) 7.443 10.311 ( 0.807 -14.680 3.889) 15.208 10.475 ( 0.706 -1.681 -7.974) 8.179 10.682 ( 2.262 -0.307 -6.450) 6.842 10.812 ( -2.792 -5.689 3.109) 7.059 10.956 ( -5.924 -6.785 3.551) 9.682 11.029 ( -2.255 -11.601 -0.948) 11.856 11.228 ( -5.024 -8.050 -2.252) 9.752 12.057 ( -1.987 9.120 11.952) 15.165 12.661 ( -3.769 -3.793 2.813) 6.042 12.824 ( -12.797 5.301 -7.521) 15.762 13.115 ( 1.215 -1.850 -5.325) 5.766 13.638 ( -8.706 18.050 8.368) 21.717 14.247 ( -6.255 18.598 -9.713) 21.894 14.575 ( -7.971 -10.795 6.493) 14.907 15.099 ( -0.080 -5.075 -3.109) 5.952 15.272 ( 1.096 -1.093 4.767) 5.012 15.287 ( -1.555 -4.000 6.964) 8.181 15.777 ( 15.866 1.120 -5.322) 16.772 15.995 ( 5.255 -2.798 -8.705) 10.547 16.423 ( 6.975 -0.147 4.076) 8.080 16.531 ( 0.929 -1.786 8.394) 8.632 16.668 ( 8.695 4.230 -2.236) 9.925 17.040 ( -0.100 -4.256 -4.954) 6.532 24.495 ( -0.101 1.223 2.974) 3.217 24.646 ( -0.358 -2.351 1.643) 2.890 24.760 ( 0.240 0.359 -3.095) 3.124 24.772 ( 0.643 0.090 -3.446) 3.507 25.027 ( -0.779 2.300 13.024) 13.249 25.133 ( -0.180 -0.210 9.962) 9.966 25.791 ( -4.883 5.697 -8.257) 11.157 25.983 ( -10.908 4.808 -13.443) 17.967 27.276 ( -5.702 -1.248 3.056) 6.588 27.364 ( -2.825 -3.995 3.342) 5.925 27.533 ( -1.742 -1.791 -4.051) 4.759 27.647 ( -2.101 -4.551 -2.925) 5.804 27.896 ( 0.732 3.189 11.766) 12.212 28.020 ( 6.560 3.422 5.169) 9.026 28.339 ( 6.725 3.111 -3.116) 8.038 28.752 ( 3.812 -7.433 -9.793) 12.872 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.25 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 7.369 9.856 3.456) 12.782 1.631 ( -1.099 7.396 -1.122) 7.561 1.694 ( -1.399 8.624 -1.249) 8.825 1.806 ( 4.634 3.800 5.245) 7.964 1.969 ( 1.911 1.648 -3.794) 4.556 2.186 ( 4.168 19.750 1.315) 20.228 2.299 ( -1.996 4.174 -2.879) 5.449 2.400 ( 4.035 12.024 -3.870) 13.260 2.459 ( -2.234 10.086 7.998) 13.065 2.671 ( -1.967 -2.534 4.384) 5.433 2.844 ( 0.833 -4.575 -7.405) 8.745 3.040 ( -1.362 0.113 3.774) 4.014 3.146 ( 5.154 -2.782 -4.073) 7.134 3.209 ( 2.982 4.084 -1.939) 5.416 3.290 ( 2.247 -3.848 3.108) 5.433 3.389 ( 4.872 -0.472 -0.813) 4.962 3.454 ( 7.311 -4.947 3.682) 9.564 3.547 ( 8.424 -0.301 6.485) 10.635 3.604 ( 6.404 -0.086 0.816) 6.457 3.695 ( 3.609 -5.541 -0.518) 6.633 3.810 ( -1.031 -3.451 3.959) 5.353 3.840 ( 7.122 3.839 -1.620) 8.251 3.971 ( 4.591 2.645 2.141) 5.714 4.105 ( 5.539 2.525 -1.854) 6.364 4.150 ( 1.351 2.821 -2.326) 3.898 4.283 ( 14.643 -1.331 6.356) 16.019 4.382 ( 9.131 0.772 2.955) 9.628 4.422 ( 6.806 -2.105 1.347) 7.250 4.623 ( -2.969 5.065 -4.076) 7.147 4.720 ( 8.148 -0.947 -0.157) 8.204 4.834 ( 7.285 -5.094 -2.478) 9.228 4.876 ( 0.467 3.014 0.468) 3.086 4.979 ( 5.528 0.126 0.971) 5.614 5.134 ( 10.286 -0.634 -2.194) 10.537 5.221 ( 6.094 0.160 0.517) 6.118 5.399 ( 8.182 -6.758 -4.585) 11.560 6.831 ( -2.872 5.014 5.187) 7.764 7.009 ( -3.363 -0.682 4.924) 6.002 7.255 ( -5.472 6.502 -3.128) 9.055 7.295 ( -2.935 4.845 0.848) 5.728 7.362 ( -2.301 0.928 -1.316) 2.808 7.465 ( -2.483 -3.091 4.826) 6.246 7.726 ( -2.376 -2.133 -2.880) 4.300 7.798 ( -4.382 4.286 -6.056) 8.617 7.830 ( -2.849 -3.668 1.598) 4.912 7.872 ( -2.568 -1.706 -0.762) 3.176 7.970 ( 0.781 1.393 1.923) 2.499 8.096 ( -0.614 4.572 -1.535) 4.862 8.456 ( 0.920 -1.297 5.026) 5.272 8.773 ( -0.609 2.316 5.621) 6.110 8.865 ( -0.829 -0.564 -4.141) 4.260 8.969 ( -2.180 1.244 0.717) 2.610 9.057 ( -0.699 -14.716 -1.603) 14.819 9.255 ( -1.297 0.982 -6.810) 7.002 9.517 ( 0.480 6.046 4.398) 7.492 9.903 ( 3.670 2.650 -4.613) 6.463 9.986 ( 3.958 -4.016 5.055) 7.573 10.343 ( 2.058 -13.438 1.882) 13.725 10.501 ( 1.196 -1.636 -5.987) 6.320 10.666 ( -3.504 -7.144 -3.527) 8.703 10.748 ( -5.816 -2.511 1.401) 6.488 10.831 ( -2.898 -5.773 1.043) 6.543 10.973 ( -2.620 -17.128 -2.001) 17.443 11.088 ( -7.581 -6.918 -2.544) 10.574 12.008 ( -2.375 9.652 8.174) 12.869 12.491 ( -10.920 10.888 -5.314) 16.311 12.634 ( -5.039 -5.153 6.377) 9.624 13.130 ( 0.203 -6.441 -6.138) 8.899 13.471 ( -6.510 19.285 6.931) 21.502 14.117 ( -5.980 17.703 -10.671) 21.518 14.407 ( -6.968 -9.936 6.037) 13.554 14.987 ( -6.468 -9.215 -10.141) 15.152 15.300 ( 0.296 1.285 10.121) 10.207 15.366 ( 6.366 1.516 10.485) 12.360 15.912 ( -2.315 7.897 -5.032) 9.646 16.182 ( 10.927 -1.950 -10.420) 15.224 16.514 ( 1.532 -0.791 8.830) 8.997 16.649 ( 9.445 -3.970 3.819) 10.934 16.904 ( 12.115 -1.649 -2.888) 12.563 17.035 ( -0.316 -3.774 -4.883) 6.180 24.493 ( -0.076 1.021 2.925) 3.099 24.636 ( -0.491 -2.382 1.942) 3.113 24.767 ( 0.400 0.200 -5.136) 5.156 24.790 ( 0.985 1.092 -1.665) 2.221 25.008 ( -0.972 2.038 9.186) 9.459 25.128 ( -0.343 -0.493 9.685) 9.704 25.638 ( -7.667 7.255 -6.457) 12.374 25.802 ( -6.946 2.958 -8.932) 11.695 27.165 ( -4.641 -0.092 2.978) 5.515 27.307 ( -2.297 -4.246 2.253) 5.328 27.467 ( -4.163 -1.978 -4.387) 6.363 27.583 ( -3.514 -4.577 -2.966) 6.488 27.914 ( 0.922 6.150 8.597) 10.610 28.171 ( 6.998 1.795 5.546) 9.108 28.373 ( -2.080 3.561 -2.378) 4.760 28.899 ( 8.043 -11.182 -10.092) 17.076 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.38 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -3.602 6.660 -2.345) 7.927 1.583 ( 5.415 7.466 -3.107) 9.732 1.750 ( 1.714 3.706 1.579) 4.378 1.887 ( 2.725 -0.532 3.367) 4.364 1.993 ( 0.220 1.716 -2.575) 3.102 2.235 ( -0.024 4.648 -2.713) 5.382 2.293 ( 1.708 12.601 0.368) 12.722 2.452 ( 1.770 6.579 -0.529) 6.834 2.474 ( 4.188 10.703 7.088) 13.504 2.638 ( -0.651 6.212 6.746) 9.193 2.886 ( -5.447 4.458 3.666) 7.936 2.918 ( -0.829 -1.622 -0.476) 1.882 3.159 ( -1.052 -2.264 2.537) 3.559 3.249 ( -1.095 -1.816 -4.102) 4.618 3.294 ( 0.584 -6.855 -3.957) 7.937 3.467 ( 2.372 0.502 -0.670) 2.515 3.549 ( 1.768 -5.556 1.862) 6.120 3.667 ( 3.832 -0.715 3.755) 5.412 3.741 ( 1.225 -0.901 2.234) 2.702 3.775 ( 2.511 -9.790 -0.396) 10.115 3.816 ( 5.931 1.895 -1.822) 6.488 3.990 ( -0.115 1.394 -3.165) 3.460 4.068 ( 9.495 6.035 5.569) 12.554 4.118 ( -2.031 2.092 -1.548) 3.302 4.233 ( 2.942 -1.143 -3.436) 4.666 4.390 ( -2.472 -1.791 4.953) 5.818 4.523 ( 3.040 0.355 -1.478) 3.399 4.567 ( 5.755 0.349 1.508) 5.960 4.778 ( 13.532 6.764 1.158) 15.172 4.840 ( 2.222 2.574 0.390) 3.423 4.914 ( 5.082 1.472 0.449) 5.310 4.979 ( 6.237 3.950 3.473) 8.158 5.103 ( 5.466 -1.981 0.173) 5.817 5.364 ( 8.334 1.182 -3.795) 9.234 5.439 ( 13.434 -3.439 -0.149) 13.868 5.620 ( 10.976 -5.747 -5.508) 13.559 6.806 ( 0.104 3.006 3.716) 4.780 6.928 ( -3.983 -0.911 4.720) 6.243 7.135 ( -4.273 3.049 -4.304) 6.788 7.251 ( -2.227 2.589 -1.686) 3.809 7.317 ( -1.426 5.132 2.256) 5.785 7.413 ( -2.433 -2.272 4.582) 5.664 7.683 ( -1.420 -3.735 -2.889) 4.931 7.716 ( -2.727 -1.945 -3.761) 5.036 7.772 ( -2.336 -2.504 0.972) 3.559 7.830 ( -1.605 2.268 -1.966) 3.404 7.975 ( -0.744 0.482 1.747) 1.959 8.090 ( -0.096 2.706 -1.273) 2.992 8.467 ( 0.213 -1.047 4.633) 4.755 8.761 ( -0.348 7.522 5.088) 9.088 8.812 ( -3.404 -5.231 -2.333) 6.663 8.881 ( -5.565 -1.262 0.632) 5.741 9.039 ( -0.779 -12.529 -2.494) 12.798 9.207 ( -2.087 5.995 -5.789) 8.592 9.533 ( 0.730 7.388 5.826) 9.436 9.972 ( 2.712 2.639 -3.921) 5.449 10.049 ( 1.867 -4.124 5.523) 7.141 10.379 ( 1.013 -8.564 0.525) 8.639 10.510 ( -0.256 -6.984 -5.568) 8.936 10.585 ( -6.455 -1.261 2.867) 7.174 10.621 ( -0.445 -10.334 -2.873) 10.735 10.801 ( -2.010 -3.911 -0.443) 4.420 10.916 ( -3.271 -7.439 -4.309) 9.198 10.967 ( -2.521 -19.243 -1.651) 19.477 11.966 ( -1.446 9.462 5.160) 10.874 12.307 ( -6.125 12.805 -3.776) 14.688 12.552 ( -2.918 -6.364 7.324) 10.132 13.130 ( -0.022 -10.379 -7.399) 12.747 13.374 ( -2.926 19.849 6.786) 21.180 14.004 ( -4.357 18.768 -9.789) 21.611 14.303 ( -2.998 -9.307 5.730) 11.333 14.893 ( -2.574 -8.992 -10.832) 14.311 15.292 ( -0.682 2.560 8.433) 8.839 15.477 ( 3.780 0.092 13.329) 13.855 15.831 ( -3.931 12.673 -5.035) 14.192 16.338 ( 3.994 0.853 -8.271) 9.225 16.551 ( 1.926 0.137 6.864) 7.131 16.823 ( 6.224 -6.319 3.861) 9.673 17.029 ( -0.216 -2.709 -4.765) 5.486 17.117 ( 7.395 -4.121 -3.378) 9.114 24.493 ( -0.001 0.787 2.671) 2.784 24.627 ( -0.343 -2.430 2.560) 3.547 24.775 ( 0.314 0.318 -6.433) 6.448 24.810 ( 0.769 1.544 -0.293) 1.750 24.991 ( -0.589 1.589 5.964) 6.200 25.120 ( -0.316 -0.729 9.186) 9.220 25.532 ( -2.109 5.467 -5.405) 7.971 25.661 ( -6.437 1.707 -6.943) 9.621 27.089 ( -2.513 0.351 3.091) 3.999 27.272 ( -1.064 -5.194 2.496) 5.860 27.384 ( -3.176 -0.952 -4.546) 5.627 27.518 ( -2.304 -4.094 -2.987) 5.567 27.931 ( 0.668 8.066 6.550) 10.412 28.276 ( 1.578 5.165 0.107) 5.402 28.332 ( 0.096 2.139 4.252) 4.761 29.030 ( 4.183 -13.503 -9.900) 17.258 ======================= Grid point 85 (35/60) ======================= q-point: (-0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 6.824 -1.431) 6.972 1.648 ( -0.000 7.709 -6.150) 9.862 1.759 ( 0.000 2.235 2.767) 3.557 1.914 ( 0.000 -6.072 0.037) 6.072 1.992 ( 0.000 2.285 -1.030) 2.506 2.242 ( 0.000 4.123 -2.353) 4.747 2.298 ( -0.000 9.531 0.612) 9.550 2.470 ( -0.000 7.089 -1.871) 7.332 2.596 ( -0.000 0.814 6.184) 6.237 2.668 ( -0.000 19.163 9.451) 21.367 2.687 ( 0.000 6.943 8.259) 10.789 2.954 ( 0.000 2.887 1.839) 3.423 3.168 ( 0.000 -0.548 2.614) 2.671 3.198 ( -0.000 -12.423 -7.394) 14.457 3.308 ( 0.000 -2.009 -5.083) 5.465 3.491 ( 0.000 -0.067 -0.919) 0.921 3.565 ( 0.000 -4.878 2.015) 5.278 3.713 ( 0.000 -0.189 4.929) 4.933 3.732 ( 0.000 -2.853 0.467) 2.891 3.806 ( 0.000 -9.717 -1.869) 9.895 3.926 ( -0.000 1.297 0.747) 1.496 3.954 ( 0.000 4.005 -6.139) 7.329 4.080 ( 0.000 0.830 -4.260) 4.340 4.188 ( 0.000 1.920 5.492) 5.818 4.269 ( -0.000 1.967 -1.009) 2.210 4.337 ( 0.000 -1.792 6.738) 6.972 4.553 ( 0.000 -0.063 0.438) 0.443 4.621 ( 0.000 0.649 -2.237) 2.329 4.841 ( 0.000 1.754 0.355) 1.790 4.921 ( 0.000 2.408 -1.892) 3.063 5.021 ( 0.000 0.370 3.865) 3.882 5.043 ( -0.000 7.203 5.881) 9.299 5.176 ( -0.000 -0.803 -0.104) 0.810 5.479 ( 0.000 4.664 -5.126) 6.930 5.600 ( 0.000 -4.107 -0.169) 4.110 5.745 ( 0.000 -4.071 -5.255) 6.648 6.814 ( 0.000 1.035 3.041) 3.212 6.876 ( -0.000 -0.165 4.975) 4.977 7.089 ( 0.000 1.014 -3.862) 3.993 7.221 ( 0.000 1.016 -4.301) 4.419 7.307 ( -0.000 7.847 4.009) 8.812 7.381 ( 0.000 -2.625 4.991) 5.639 7.669 ( 0.000 -4.670 -3.215) 5.670 7.689 ( 0.000 -2.986 -3.220) 4.391 7.746 ( 0.000 -2.533 0.892) 2.686 7.811 ( 0.000 3.309 -2.256) 4.005 7.959 ( 0.000 -0.043 2.067) 2.068 8.091 ( 0.000 0.527 -1.366) 1.464 8.468 ( 0.000 -0.412 3.932) 3.954 8.745 ( 0.000 6.756 -0.768) 6.799 8.792 ( 0.000 -12.511 3.111) 12.891 8.793 ( -0.000 7.002 1.952) 7.269 9.031 ( 0.000 -11.710 -2.790) 12.038 9.186 ( 0.000 9.186 -5.269) 10.590 9.541 ( 0.000 7.333 6.167) 9.582 10.004 ( 0.000 2.145 -4.095) 4.623 10.066 ( 0.000 -4.334 5.782) 7.226 10.386 ( 0.000 -3.754 -0.914) 3.864 10.502 ( 0.000 0.842 4.605) 4.681 10.516 ( -0.000 -17.291 -4.972) 17.992 10.634 ( 0.000 -5.303 -7.062) 8.832 10.762 ( 0.000 -7.210 3.356) 7.952 10.879 ( 0.000 -0.383 -5.457) 5.470 10.948 ( 0.000 -25.032 -1.435) 25.073 11.951 ( 0.000 9.231 4.012) 10.066 12.242 ( 0.000 12.673 -3.243) 13.082 12.519 ( 0.000 -6.381 7.571) 9.901 13.131 ( 0.000 -12.467 -7.956) 14.789 13.343 ( 0.000 20.438 6.707) 21.510 13.955 ( 0.000 19.626 -9.149) 21.654 14.273 ( 0.000 -8.995 5.696) 10.647 14.868 ( -0.000 -9.101 -11.100) 14.354 15.283 ( 0.000 2.838 7.711) 8.217 15.518 ( -0.000 -1.045 14.650) 14.687 15.785 ( -0.000 14.680 -5.354) 15.626 16.375 ( 0.000 2.069 -6.257) 6.590 16.575 ( 0.000 0.309 4.790) 4.800 16.890 ( 0.000 -6.988 4.035) 8.070 17.027 ( 0.000 -2.037 -4.739) 5.158 17.196 ( 0.000 -4.673 -3.503) 5.840 24.493 ( -0.000 0.682 2.481) 2.573 24.623 ( 0.000 -2.447 2.937) 3.823 24.779 ( -0.000 0.355 -6.853) 6.863 24.818 ( 0.000 1.686 0.285) 1.710 24.984 ( 0.000 1.367 4.705) 4.899 25.116 ( 0.000 -0.827 8.908) 8.946 25.542 ( 0.000 4.043 -7.062) 8.138 25.558 ( -0.000 1.834 -4.281) 4.657 27.062 ( 0.000 0.492 3.107) 3.145 27.261 ( 0.000 -5.786 2.949) 6.494 27.349 ( 0.000 -0.184 -4.893) 4.896 27.494 ( 0.000 -3.859 -2.955) 4.860 27.939 ( 0.000 8.696 5.838) 10.474 28.271 ( 0.000 9.404 -3.171) 9.924 28.353 ( 0.000 -1.411 7.995) 8.119 29.073 ( 0.000 -14.119 -9.767) 17.168 ======================= Grid point 90 (36/60) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 0.000 9.029 5.029) 10.335 1.629 ( 0.000 -3.298 0.738) 3.380 1.824 ( 0.000 17.904 2.931) 18.142 1.983 ( 0.000 7.879 -3.719) 8.712 2.000 ( 0.000 -4.699 -8.634) 9.829 2.289 ( 0.000 -11.919 3.576) 12.444 2.461 ( 0.000 12.191 -8.127) 14.652 2.562 ( 0.000 15.807 -3.849) 16.269 2.625 ( 0.000 3.780 -2.578) 4.575 2.814 ( 0.000 -0.639 -2.790) 2.862 2.830 ( 0.000 -2.917 -9.466) 9.906 2.865 ( 0.000 -4.862 -4.328) 6.510 2.917 ( 0.000 10.582 5.769) 12.053 2.975 ( 0.000 0.521 -1.202) 1.310 3.089 ( 0.000 -8.520 0.554) 8.538 3.118 ( 0.000 -10.931 1.677) 11.059 3.268 ( 0.000 -0.154 7.174) 7.176 3.320 ( 0.000 -5.755 6.210) 8.467 3.493 ( 0.000 17.076 2.886) 17.319 3.556 ( 0.000 -0.326 7.133) 7.141 3.649 ( 0.000 0.938 6.409) 6.477 3.825 ( 0.000 -3.119 3.317) 4.553 3.930 ( 0.000 1.405 1.525) 2.073 3.970 ( 0.000 3.329 11.477) 11.950 4.007 ( 0.000 -5.551 1.448) 5.737 4.056 ( 0.000 -0.961 -2.063) 2.275 4.105 ( 0.000 4.266 -3.230) 5.351 4.225 ( 0.000 -13.327 8.330) 15.716 4.287 ( 0.000 7.050 -1.022) 7.123 4.466 ( 0.000 -8.479 -4.380) 9.543 4.815 ( 0.000 3.827 -7.435) 8.362 4.859 ( 0.000 -0.431 -8.466) 8.477 5.032 ( 0.000 1.079 1.440) 1.799 5.072 ( 0.000 -2.062 2.907) 3.564 5.109 ( 0.000 2.589 -0.244) 2.600 5.154 ( 0.000 -1.360 0.614) 1.492 7.092 ( 0.000 1.283 7.928) 8.031 7.097 ( 0.000 0.567 5.825) 5.852 7.282 ( 0.000 5.173 4.515) 6.866 7.387 ( 0.000 -4.529 4.662) 6.500 7.423 ( 0.000 2.603 -1.541) 3.025 7.520 ( 0.000 -6.854 -1.623) 7.044 7.798 ( 0.000 4.640 -7.353) 8.694 7.881 ( 0.000 -3.342 -5.911) 6.790 7.921 ( 0.000 3.843 1.694) 4.200 7.985 ( 0.000 -1.627 2.125) 2.676 8.092 ( 0.000 8.283 -3.361) 8.939 8.283 ( 0.000 -9.657 -7.095) 11.984 8.466 ( 0.000 4.531 2.414) 5.134 8.602 ( 0.000 -8.384 2.907) 8.873 8.638 ( 0.000 4.664 -2.127) 5.126 8.780 ( 0.000 -9.593 -2.342) 9.874 9.351 ( 0.000 20.869 1.814) 20.948 9.471 ( 0.000 14.912 -2.425) 15.108 9.592 ( 0.000 2.824 1.059) 3.016 9.709 ( 0.000 -10.618 -4.398) 11.493 9.749 ( 0.000 -4.108 6.399) 7.604 9.907 ( 0.000 -19.568 7.038) 20.795 10.483 ( 0.000 1.382 -11.536) 11.619 10.561 ( 0.000 -6.109 -9.514) 11.306 10.834 ( 0.000 2.480 4.314) 4.975 10.918 ( 0.000 -5.105 5.128) 7.236 10.959 ( 0.000 3.001 -0.479) 3.039 11.093 ( 0.000 -8.612 -0.823) 8.651 12.311 ( 0.000 12.090 9.198) 15.191 12.539 ( 0.000 -9.480 6.518) 11.505 13.054 ( 0.000 2.313 -10.828) 11.072 13.089 ( 0.000 -0.873 -7.273) 7.325 14.093 ( 0.000 15.897 8.911) 18.224 14.407 ( 0.000 -14.163 7.252) 15.912 14.718 ( 0.000 16.327 -9.583) 18.931 14.980 ( 0.000 -8.081 -7.113) 10.765 15.180 ( 0.000 -0.658 10.140) 10.161 15.220 ( 0.000 -4.788 4.750) 6.744 15.656 ( 0.000 5.444 -5.806) 7.959 15.779 ( 0.000 -6.143 -7.020) 9.328 16.396 ( 0.000 3.200 5.473) 6.340 16.466 ( 0.000 -3.322 7.169) 7.902 16.759 ( 0.000 8.665 -3.943) 9.520 16.923 ( 0.000 -6.943 -4.736) 8.404 24.536 ( 0.000 2.458 2.439) 3.463 24.593 ( 0.000 -2.905 1.977) 3.514 24.757 ( 0.000 0.157 -4.469) 4.471 24.764 ( 0.000 -0.261 -3.939) 3.947 25.089 ( 0.000 2.361 14.148) 14.344 25.125 ( 0.000 -1.035 11.833) 11.878 25.965 ( 0.000 6.469 -10.838) 12.622 26.089 ( 0.000 -4.986 -13.988) 14.850 27.318 ( 0.000 -1.138 3.553) 3.731 27.325 ( 0.000 -1.682 4.547) 4.848 27.544 ( 0.000 1.153 -2.618) 2.861 27.592 ( 0.000 -3.186 -3.282) 4.574 27.950 ( 0.000 3.385 9.353) 9.946 27.989 ( 0.000 0.070 5.839) 5.840 28.409 ( 0.000 8.473 -4.748) 9.713 28.572 ( 0.000 -7.518 -6.953) 10.240 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.12 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 3.293 8.648 3.454) 9.878 1.661 ( 2.791 -3.321 0.397) 4.356 1.856 ( 0.748 8.992 -0.555) 9.040 1.915 ( -5.404 0.242 -6.424) 8.398 2.051 ( 4.388 11.385 -0.701) 12.222 2.358 ( 3.051 -11.145 2.590) 11.842 2.456 ( 0.415 7.668 -5.198) 9.273 2.559 ( 0.070 13.944 -3.186) 14.304 2.593 ( -2.564 5.159 -2.266) 6.190 2.747 ( -3.073 -0.063 -4.317) 5.300 2.819 ( -2.832 0.919 -1.382) 3.283 2.897 ( 4.663 -5.730 -4.304) 8.550 3.001 ( 4.990 3.300 1.441) 6.153 3.052 ( 6.999 0.656 -1.720) 7.237 3.145 ( 5.179 -5.994 1.609) 8.083 3.192 ( 6.001 -9.325 0.275) 11.092 3.344 ( 6.703 -0.638 6.989) 9.704 3.359 ( 2.841 -2.465 7.570) 8.453 3.526 ( 2.196 6.749 3.158) 7.768 3.627 ( 8.564 1.917 3.034) 9.286 3.675 ( 1.192 3.239 3.068) 4.618 3.812 ( -0.173 -2.034 3.529) 4.077 3.955 ( 2.437 3.082 8.938) 9.764 4.056 ( 7.197 0.449 4.278) 8.385 4.097 ( 6.644 -0.338 -0.599) 6.680 4.109 ( 3.182 3.349 0.162) 4.622 4.160 ( 6.542 0.024 -1.130) 6.639 4.323 ( 6.919 -6.760 3.266) 10.210 4.353 ( 9.802 0.408 0.808) 9.844 4.512 ( 4.687 -7.818 -4.351) 10.100 4.787 ( -1.801 5.161 -7.050) 8.921 4.871 ( 0.904 -2.217 -7.616) 7.983 5.012 ( -0.745 3.729 2.807) 4.727 5.073 ( -0.293 -0.114 2.970) 2.987 5.124 ( 1.939 0.282 -0.102) 1.962 5.181 ( 2.391 -3.633 -0.542) 4.383 7.019 ( -4.920 3.196 6.670) 8.884 7.060 ( -3.088 -0.839 5.466) 6.334 7.339 ( 2.945 3.598 3.829) 6.023 7.410 ( -0.269 1.042 0.205) 1.095 7.411 ( 0.662 -1.898 2.985) 3.599 7.472 ( -4.201 -3.991 -2.878) 6.470 7.780 ( -2.424 2.912 -5.882) 6.996 7.852 ( -3.281 -3.411 -5.343) 7.138 7.891 ( -2.712 3.377 1.140) 4.479 7.955 ( -1.991 -0.957 1.851) 2.883 8.057 ( -2.908 6.210 -3.257) 7.592 8.182 ( -5.184 -3.951 -4.519) 7.931 8.468 ( 0.017 3.877 3.249) 5.059 8.598 ( -0.130 -8.463 2.821) 8.922 8.723 ( 4.844 -1.697 -3.047) 5.969 8.800 ( 1.666 -8.181 -2.955) 8.856 9.345 ( -0.720 21.921 2.348) 22.058 9.494 ( 1.721 15.476 -3.024) 15.862 9.612 ( 1.962 4.663 1.843) 5.384 9.747 ( 3.298 -11.603 -3.251) 12.493 9.789 ( 3.213 -5.506 5.622) 8.500 9.914 ( 0.449 -19.524 6.192) 20.488 10.466 ( -1.021 0.960 -9.885) 9.984 10.554 ( -1.057 -8.302 -9.398) 12.584 10.784 ( -4.495 2.119 4.192) 6.501 10.850 ( -5.455 -3.234 3.954) 7.473 10.944 ( -1.930 2.020 -0.160) 2.798 11.059 ( -3.272 -7.632 -1.535) 8.445 12.289 ( -1.968 11.927 8.397) 14.719 12.515 ( -2.253 -9.371 6.331) 11.532 12.952 ( -8.406 5.929 -8.935) 13.625 13.056 ( -3.272 -3.960 -7.122) 8.781 13.997 ( -7.495 16.301 7.680) 19.516 14.309 ( -7.585 -13.621 6.753) 16.990 14.617 ( -7.414 15.797 -10.067) 20.146 14.911 ( -6.873 -12.158 -10.171) 17.277 15.249 ( 4.613 -0.219 10.333) 11.318 15.256 ( 5.275 -0.690 10.185) 11.491 15.837 ( 14.033 4.034 -6.721) 16.074 15.924 ( 10.104 -4.043 -7.966) 13.487 16.440 ( 3.898 1.666 5.381) 6.850 16.485 ( 2.009 -2.443 6.930) 7.617 16.788 ( 3.099 6.811 -3.700) 8.347 16.928 ( 0.568 -6.351 -4.613) 7.870 24.534 ( -0.234 2.399 2.508) 3.479 24.590 ( -0.325 -2.873 2.053) 3.546 24.762 ( 0.462 0.347 -4.624) 4.660 24.773 ( 0.723 -0.423 -4.220) 4.303 25.082 ( -0.692 2.489 13.287) 13.535 25.120 ( -0.434 -1.175 11.484) 11.552 25.907 ( -5.313 5.374 -9.978) 12.516 25.997 ( -7.719 -2.607 -12.019) 14.520 27.264 ( -4.067 0.288 3.667) 5.483 27.293 ( -2.999 -2.532 3.963) 5.577 27.515 ( -2.546 0.506 -3.429) 4.300 27.558 ( -2.878 -3.517 -3.155) 5.532 27.985 ( 2.945 4.391 8.379) 9.907 28.046 ( 4.791 -1.000 6.179) 7.882 28.456 ( 3.248 6.889 -4.836) 9.022 28.602 ( 2.949 -7.111 -6.893) 10.333 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.25 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 4.577 7.065 -0.160) 8.419 1.726 ( 2.830 -2.296 -0.969) 3.771 1.775 ( -5.924 5.163 -3.727) 8.697 1.851 ( -1.726 -1.536 -2.090) 3.116 2.121 ( 1.365 11.711 1.188) 11.850 2.325 ( -3.284 -3.442 1.060) 4.874 2.459 ( -1.858 -0.107 -2.874) 3.424 2.547 ( -0.945 2.264 -2.953) 3.839 2.617 ( 4.449 14.067 -1.277) 14.809 2.747 ( 2.686 1.353 -4.079) 5.068 2.803 ( 0.802 4.038 2.131) 4.636 2.952 ( 1.296 -12.378 -2.647) 12.724 3.057 ( 0.855 3.985 2.910) 5.008 3.203 ( 4.590 0.238 0.729) 4.653 3.242 ( 1.941 -4.127 8.410) 9.567 3.333 ( 6.469 -6.417 -0.790) 9.146 3.422 ( 4.362 1.184 2.636) 5.232 3.482 ( 4.206 -5.569 6.580) 9.592 3.625 ( 6.001 3.902 1.660) 7.348 3.673 ( 0.255 0.500 0.454) 0.722 3.803 ( 3.741 2.430 0.839) 4.539 3.878 ( 8.076 -2.707 -3.102) 9.065 4.070 ( 7.337 8.330 9.358) 14.519 4.154 ( 2.603 1.665 -3.350) 4.558 4.173 ( 0.960 -0.129 -4.882) 4.977 4.233 ( 8.097 -5.793 8.521) 13.105 4.400 ( 11.925 4.108 1.599) 12.714 4.448 ( 6.090 1.860 -0.743) 6.411 4.674 ( 13.475 -2.431 0.309) 13.696 4.695 ( 15.043 -5.203 -2.918) 16.183 4.789 ( 3.710 7.999 -4.395) 9.852 4.912 ( 3.514 -1.861 -4.026) 5.658 5.023 ( 1.740 3.899 4.044) 5.881 5.101 ( 4.812 -2.530 3.274) 6.346 5.204 ( 6.386 -0.241 -0.716) 6.431 5.268 ( 6.992 -5.558 -2.144) 9.186 6.926 ( -3.679 3.861 5.004) 7.313 6.986 ( -3.784 -1.856 4.822) 6.404 7.336 ( -3.222 1.529 -2.955) 4.631 7.351 ( -6.557 1.222 -4.827) 8.233 7.402 ( -0.892 1.105 3.268) 3.563 7.415 ( -0.843 -1.094 3.937) 4.172 7.692 ( -4.905 -0.808 -3.318) 5.977 7.732 ( -6.904 -4.404 -3.838) 9.044 7.830 ( -2.356 4.761 1.864) 5.629 7.937 ( 0.054 -2.540 1.305) 2.856 8.011 ( -1.066 6.811 -3.145) 7.578 8.132 ( -0.887 -2.614 -3.149) 4.187 8.468 ( -0.037 2.891 4.093) 5.011 8.588 ( -0.782 -9.040 3.347) 9.671 8.779 ( 0.350 -3.555 -2.816) 4.549 8.830 ( 0.552 -6.942 -3.938) 8.001 9.319 ( -1.758 24.434 2.824) 24.660 9.521 ( 0.709 18.202 -3.576) 18.564 9.666 ( 2.751 7.339 3.677) 8.658 9.823 ( 3.371 -16.124 -0.252) 16.474 9.859 ( 3.156 -8.160 4.104) 9.664 9.918 ( -0.029 -18.750 3.533) 19.080 10.455 ( -0.213 -1.595 -7.833) 7.997 10.509 ( -2.900 -8.622 -8.405) 12.385 10.672 ( -5.318 0.072 4.188) 6.769 10.713 ( -7.097 -2.425 4.014) 8.507 10.887 ( -3.134 2.190 -2.328) 4.477 10.966 ( -5.074 -5.079 -2.726) 7.680 12.236 ( -2.820 11.390 6.647) 13.485 12.453 ( -3.341 -9.120 5.952) 11.391 12.756 ( -9.201 11.070 -6.449) 15.773 12.968 ( -4.630 -9.138 -6.635) 12.205 13.846 ( -5.998 16.662 6.603) 18.899 14.158 ( -5.998 -13.278 6.190) 15.830 14.470 ( -6.167 15.421 -10.647) 19.728 14.761 ( -6.163 -12.555 -10.833) 17.690 15.336 ( 2.626 2.041 11.873) 12.330 15.372 ( 4.999 -0.980 12.286) 13.300 16.060 ( 4.773 5.721 -7.825) 10.805 16.142 ( 10.518 -2.460 -9.238) 14.213 16.521 ( 3.358 1.502 6.798) 7.729 16.572 ( 6.040 -3.269 5.141) 8.578 16.896 ( 6.861 1.168 -3.496) 7.789 16.952 ( 1.724 -3.834 -4.309) 6.019 24.528 ( -0.309 2.229 2.649) 3.476 24.581 ( -0.465 -2.789 2.302) 3.646 24.775 ( 0.698 0.668 -5.190) 5.279 24.792 ( 0.995 -0.687 -4.487) 4.648 25.063 ( -0.999 2.747 11.301) 11.673 25.108 ( -0.673 -1.507 10.561) 10.689 25.760 ( -7.808 4.559 -7.865) 11.984 25.822 ( -8.132 -1.157 -9.014) 12.195 27.176 ( -3.940 1.318 3.418) 5.380 27.224 ( -3.156 -3.340 3.451) 5.747 27.448 ( -3.488 0.424 -3.984) 5.312 27.491 ( -3.213 -3.634 -3.378) 5.912 28.053 ( 3.173 6.525 6.898) 10.011 28.158 ( 5.262 -3.110 6.249) 8.741 28.501 ( 0.903 8.046 -4.760) 9.392 28.685 ( 4.238 -9.558 -6.685) 12.410 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.38 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -2.930 6.787 -2.401) 7.772 1.709 ( 2.979 4.519 -3.954) 6.703 1.776 ( 1.368 -1.186 -2.399) 3.005 1.810 ( -1.986 -5.351 -1.956) 6.034 2.118 ( -0.874 8.475 2.070) 8.767 2.288 ( -0.258 -4.959 3.747) 6.221 2.416 ( -1.648 5.784 -3.268) 6.845 2.544 ( 0.266 1.099 -3.518) 3.695 2.698 ( 3.308 11.362 -1.157) 11.890 2.815 ( 0.432 2.805 0.022) 2.838 2.832 ( 4.197 -1.097 -2.315) 4.917 2.962 ( -0.530 -11.673 -2.884) 12.036 3.067 ( 0.585 10.614 6.544) 12.482 3.208 ( -3.453 1.209 10.662) 11.272 3.249 ( 0.651 -1.709 4.476) 4.835 3.448 ( 4.199 -7.623 0.908) 8.750 3.501 ( 1.963 0.493 -0.016) 2.024 3.527 ( 0.556 -6.738 4.564) 8.158 3.686 ( 2.306 1.302 1.214) 2.913 3.718 ( 1.887 -1.434 1.737) 2.938 3.898 ( 4.649 4.792 -4.746) 8.192 3.982 ( 1.901 -2.557 -4.923) 5.865 4.153 ( -1.900 1.797 -4.552) 5.250 4.173 ( 1.597 1.092 2.808) 3.410 4.237 ( 4.694 3.362 1.475) 5.959 4.331 ( 0.999 -4.155 6.039) 7.398 4.545 ( 3.235 1.660 -1.557) 3.955 4.568 ( 4.242 -0.284 -0.248) 4.259 4.878 ( 2.591 2.243 -0.271) 3.437 4.919 ( 7.054 -0.441 0.981) 7.136 4.937 ( 6.609 5.431 -2.361) 8.874 5.041 ( 6.765 -3.370 -1.881) 7.789 5.108 ( 7.725 8.264 6.292) 12.945 5.303 ( 11.836 -8.769 3.694) 15.187 5.409 ( 12.689 3.575 -2.617) 13.440 5.510 ( 13.661 -5.279 -2.774) 14.906 6.867 ( -1.954 2.641 3.497) 4.798 6.909 ( -3.246 -1.298 4.121) 5.404 7.203 ( -6.072 3.385 -4.942) 8.529 7.254 ( -4.309 -1.214 -5.116) 6.798 7.368 ( -1.746 0.130 3.734) 4.124 7.390 ( -1.252 -1.191 3.471) 3.878 7.613 ( -2.491 -2.601 -2.641) 4.466 7.622 ( -3.209 -3.991 -2.603) 5.745 7.794 ( -1.279 6.928 2.199) 7.380 7.933 ( -0.716 -3.627 1.559) 4.013 7.987 ( -1.513 7.039 -2.837) 7.738 8.104 ( -1.972 -2.558 -2.263) 3.944 8.465 ( -0.132 1.877 3.933) 4.360 8.570 ( -0.732 -8.621 3.354) 9.279 8.749 ( -2.531 -1.514 -2.835) 4.091 8.821 ( -0.831 -7.685 -3.174) 8.356 9.281 ( -1.519 27.000 3.167) 27.227 9.529 ( 0.164 20.598 -3.803) 20.947 9.706 ( 0.857 9.169 5.977) 10.979 9.874 ( 1.547 -26.134 1.810) 26.242 9.908 ( 1.032 -10.825 4.913) 11.933 9.926 ( 1.091 -13.640 -1.389) 13.754 10.415 ( -3.127 -2.358 -7.862) 8.783 10.479 ( -0.250 -6.256 -6.718) 9.184 10.575 ( -4.163 -0.555 4.447) 6.117 10.599 ( -2.571 -4.640 3.832) 6.544 10.823 ( -2.773 2.187 -3.479) 4.958 10.878 ( -2.731 -2.718 -4.141) 5.657 12.183 ( -2.002 10.680 5.080) 11.995 12.389 ( -2.470 -8.876 5.687) 10.827 12.598 ( -5.469 14.105 -5.173) 15.988 12.882 ( -3.138 -13.071 -6.475) 14.921 13.758 ( -2.541 16.872 6.295) 18.186 14.069 ( -2.532 -13.143 5.947) 14.647 14.368 ( -3.400 16.103 -10.315) 19.423 14.668 ( -2.823 -12.709 -10.884) 16.969 15.363 ( 0.306 4.072 11.664) 12.358 15.443 ( 1.924 -3.191 13.805) 14.299 16.099 ( 0.183 12.202 -8.128) 14.663 16.296 ( 4.244 -5.885 -9.863) 12.244 16.585 ( 2.481 3.565 6.836) 8.099 16.691 ( 4.470 -6.128 5.076) 9.126 16.995 ( 2.095 0.085 -4.126) 4.629 17.035 ( 5.396 -3.363 -3.688) 7.350 24.522 ( -0.194 2.022 2.735) 3.407 24.572 ( -0.323 -2.697 2.679) 3.815 24.788 ( 0.502 0.956 -5.724) 5.825 24.811 ( 0.744 -0.944 -4.469) 4.628 25.044 ( -0.729 2.919 9.395) 9.865 25.095 ( -0.542 -1.826 9.504) 9.693 25.626 ( -4.305 3.482 -6.142) 8.269 25.672 ( -5.860 -0.832 -6.936) 9.119 27.110 ( -2.180 1.881 3.208) 4.310 27.172 ( -1.731 -4.055 3.190) 5.442 27.385 ( -2.253 1.144 -4.070) 4.791 27.435 ( -1.952 -3.537 -3.522) 5.360 28.107 ( 1.875 8.229 5.755) 10.216 28.248 ( 3.111 -4.887 6.107) 8.418 28.505 ( -0.207 11.135 -4.395) 11.973 28.755 ( 2.228 -12.809 -6.439) 14.509 ======================= Grid point 94 (40/60) ======================= q-point: (-0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.000 7.022 -1.866) 7.266 1.754 ( 0.000 2.961 -6.244) 6.911 1.772 ( 0.000 -3.705 -2.310) 4.366 1.793 ( 0.000 -2.988 -2.411) 3.840 2.107 ( 0.000 8.039 2.825) 8.521 2.290 ( 0.000 -8.300 5.873) 10.168 2.398 ( 0.000 10.244 -4.257) 11.094 2.548 ( 0.000 0.158 -3.410) 3.413 2.743 ( -0.000 9.076 -1.909) 9.275 2.807 ( 0.000 3.495 0.918) 3.614 2.920 ( -0.000 -9.469 -5.966) 11.191 2.920 ( 0.000 -5.066 -2.209) 5.526 3.081 ( -0.000 18.359 9.547) 20.693 3.157 ( 0.000 0.560 10.832) 10.846 3.254 ( -0.000 -3.302 5.676) 6.567 3.494 ( 0.000 -16.628 4.526) 17.233 3.519 ( 0.000 1.669 0.906) 1.899 3.526 ( -0.000 0.579 0.012) 0.579 3.725 ( -0.000 0.512 2.749) 2.796 3.731 ( 0.000 -0.449 -0.963) 1.062 3.959 ( -0.000 1.821 -4.363) 4.728 3.991 ( 0.000 -0.674 -6.412) 6.447 4.124 ( 0.000 3.271 -4.033) 5.193 4.183 ( 0.000 -1.969 -1.048) 2.230 4.307 ( -0.000 1.029 4.758) 4.868 4.317 ( 0.000 -0.409 6.030) 6.044 4.576 ( 0.000 1.811 -1.197) 2.171 4.610 ( 0.000 -1.262 -1.605) 2.042 4.900 ( 0.000 3.637 0.636) 3.692 4.980 ( 0.000 -3.588 2.133) 4.175 4.998 ( 0.000 5.008 -2.481) 5.588 5.110 ( 0.000 -5.073 -1.661) 5.338 5.233 ( 0.000 10.559 6.317) 12.304 5.451 ( 0.000 -9.649 4.223) 10.532 5.586 ( -0.000 5.161 -3.396) 6.178 5.676 ( 0.000 -3.422 -2.803) 4.424 6.846 ( 0.000 1.657 2.816) 3.268 6.870 ( 0.000 -0.581 3.786) 3.831 7.133 ( 0.000 3.189 -4.542) 5.550 7.201 ( -0.000 -2.609 -5.632) 6.207 7.348 ( 0.000 -0.162 3.439) 3.443 7.375 ( -0.000 -1.463 3.747) 4.022 7.586 ( 0.000 -2.587 -2.886) 3.875 7.591 ( -0.000 -3.569 -2.461) 4.335 7.779 ( 0.000 7.251 2.405) 7.640 7.920 ( 0.000 -4.475 2.259) 5.013 7.965 ( 0.000 7.632 -3.120) 8.245 8.074 ( 0.000 -2.685 -1.834) 3.251 8.464 ( 0.000 1.467 3.678) 3.960 8.563 ( 0.000 -8.462 3.259) 9.068 8.715 ( 0.000 0.606 -2.607) 2.677 8.811 ( 0.000 -8.425 -2.816) 8.883 9.264 ( 0.000 27.989 3.353) 28.189 9.531 ( 0.000 21.203 -3.913) 21.562 9.712 ( 0.000 8.642 6.779) 10.983 9.891 ( 0.000 -30.316 0.892) 30.329 9.915 ( -0.000 -9.229 5.825) 10.913 9.942 ( 0.000 -13.248 -2.238) 13.436 10.377 ( 0.000 -0.705 -7.629) 7.661 10.469 ( 0.000 -6.492 -4.899) 8.133 10.538 ( 0.000 -0.404 2.526) 2.558 10.575 ( 0.000 -6.095 3.887) 7.229 10.790 ( 0.000 2.976 -3.284) 4.432 10.852 ( 0.000 -2.411 -4.985) 5.537 12.161 ( 0.000 10.337 4.456) 11.256 12.361 ( 0.000 -8.770 5.613) 10.412 12.539 ( 0.000 15.056 -4.828) 15.811 12.848 ( 0.000 -14.495 -6.472) 15.874 13.733 ( 0.000 16.967 6.217) 18.070 14.044 ( 0.000 -13.060 5.878) 14.322 14.332 ( 0.000 16.581 -9.960) 19.343 14.639 ( 0.000 -12.987 -10.825) 16.907 15.364 ( 0.000 4.728 11.457) 12.395 15.462 ( 0.000 -4.170 14.236) 14.834 16.097 ( 0.000 14.471 -8.140) 16.603 16.337 ( 0.000 -7.276 -10.033) 12.394 16.613 ( 0.000 4.345 6.807) 8.075 16.740 ( 0.000 -7.170 5.171) 8.841 17.021 ( 0.000 1.887 -4.100) 4.513 17.095 ( 0.000 -4.706 -3.817) 6.059 24.520 ( 0.000 1.927 2.748) 3.356 24.569 ( 0.000 -2.655 2.887) 3.922 24.794 ( 0.000 1.086 -5.905) 6.004 24.819 ( 0.000 -1.065 -4.398) 4.525 25.036 ( 0.000 2.953 8.608) 9.100 25.088 ( 0.000 -1.953 9.019) 9.228 25.592 ( 0.000 1.166 -5.327) 5.453 25.596 ( -0.000 1.056 -6.405) 6.491 27.087 ( 0.000 2.085 3.121) 3.754 27.154 ( 0.000 -4.320 3.116) 5.326 27.360 ( 0.000 1.505 -4.071) 4.341 27.414 ( 0.000 -3.499 -3.530) 4.970 28.128 ( 0.000 8.839 5.331) 10.322 28.281 ( 0.000 -5.593 6.039) 8.231 28.501 ( 0.000 12.468 -4.217) 13.162 28.778 ( 0.000 -14.019 -6.314) 15.375 ======================= Grid point 126 (41/60) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 0.000 0.000 23.979) 23.979 1.035 ( 0.000 0.000 26.784) 26.784 1.387 ( 0.000 0.000 -13.155) 13.155 1.505 ( 0.000 0.000 -22.578) 22.578 1.710 ( 0.000 0.000 13.881) 13.881 1.785 ( 0.000 0.000 6.574) 6.574 1.833 ( 0.000 0.000 -3.447) 3.447 1.900 ( 0.000 0.000 -5.929) 5.929 2.225 ( 0.000 0.000 26.727) 26.727 2.751 ( 0.000 0.000 5.606) 5.606 2.767 ( 0.000 0.000 -20.836) 20.836 2.857 ( 0.000 0.000 -5.520) 5.520 2.919 ( 0.000 0.000 2.542) 2.542 2.993 ( 0.000 0.000 -5.790) 5.790 3.058 ( 0.000 0.000 -1.706) 1.706 3.096 ( 0.000 0.000 -8.664) 8.664 3.468 ( 0.000 0.000 8.660) 8.660 3.572 ( 0.000 0.000 3.522) 3.522 3.691 ( 0.000 0.000 -5.773) 5.773 3.737 ( 0.000 0.000 -5.218) 5.218 3.747 ( 0.000 0.000 4.326) 4.326 3.817 ( 0.000 0.000 -1.821) 1.821 3.904 ( 0.000 0.000 1.884) 1.884 3.937 ( 0.000 0.000 -2.020) 2.020 4.035 ( 0.000 0.000 12.586) 12.586 4.217 ( 0.000 0.000 6.695) 6.695 4.230 ( 0.000 0.000 -6.014) 6.014 4.341 ( 0.000 0.000 -6.204) 6.204 4.779 ( 0.000 0.000 0.066) 0.066 4.788 ( 0.000 0.000 -1.095) 1.095 4.817 ( 0.000 0.000 4.388) 4.388 4.912 ( 0.000 0.000 -5.671) 5.671 5.039 ( 0.000 0.000 2.405) 2.405 5.060 ( 0.000 0.000 1.617) 1.617 5.080 ( 0.000 0.000 -0.426) 0.426 5.104 ( 0.000 0.000 -5.257) 5.257 6.939 ( 0.000 0.000 4.121) 4.121 7.022 ( 0.000 0.000 -4.393) 4.393 7.189 ( 0.000 0.000 10.421) 10.421 7.228 ( 0.000 0.000 7.561) 7.561 7.338 ( 0.000 0.000 -6.195) 6.195 7.407 ( 0.000 0.000 -10.031) 10.031 7.776 ( 0.000 0.000 1.662) 1.662 7.807 ( 0.000 0.000 -1.455) 1.455 7.876 ( 0.000 0.000 3.577) 3.577 7.945 ( 0.000 0.000 -3.505) 3.505 8.267 ( 0.000 0.000 7.929) 7.929 8.406 ( 0.000 0.000 -6.622) 6.622 8.433 ( 0.000 0.000 2.955) 2.955 8.486 ( 0.000 0.000 -2.529) 2.529 8.745 ( 0.000 0.000 7.110) 7.110 8.872 ( 0.000 0.000 -5.918) 5.918 9.147 ( 0.000 0.000 10.460) 10.460 9.361 ( 0.000 0.000 -11.658) 11.658 9.557 ( 0.000 0.000 1.071) 1.071 9.576 ( 0.000 0.000 -0.969) 0.969 10.070 ( 0.000 0.000 8.476) 8.476 10.267 ( 0.000 0.000 -12.005) 12.005 10.590 ( 0.000 0.000 0.197) 0.197 10.591 ( 0.000 0.000 0.093) 0.093 11.181 ( 0.000 0.000 4.591) 4.591 11.271 ( 0.000 0.000 -4.744) 4.744 11.285 ( 0.000 0.000 7.418) 7.418 11.415 ( 0.000 0.000 -6.063) 6.063 12.595 ( 0.000 0.000 -0.078) 0.078 12.597 ( 0.000 0.000 -0.321) 0.321 12.885 ( 0.000 0.000 4.870) 4.870 12.978 ( 0.000 0.000 -4.781) 4.781 13.346 ( 0.000 0.000 10.051) 10.051 13.534 ( 0.000 0.000 -9.421) 9.421 15.035 ( 0.000 0.000 8.355) 8.355 15.198 ( 0.000 0.000 -8.408) 8.408 15.230 ( 0.000 0.000 9.016) 9.016 15.424 ( 0.000 0.000 -11.389) 11.389 15.945 ( 0.000 0.000 1.259) 1.259 15.977 ( 0.000 0.000 -1.969) 1.969 16.335 ( 0.000 0.000 1.875) 1.875 16.362 ( 0.000 0.000 -0.901) 0.901 16.790 ( 0.000 0.000 11.654) 11.654 16.988 ( 0.000 0.000 -9.187) 9.187 24.571 ( 0.000 0.000 5.946) 5.946 24.691 ( 0.000 0.000 -6.571) 6.571 24.720 ( 0.000 0.000 1.939) 1.939 24.773 ( 0.000 0.000 -3.716) 3.716 25.313 ( 0.000 0.000 4.635) 4.635 25.320 ( 0.000 0.000 11.200) 11.200 25.383 ( 0.000 0.000 -2.868) 2.868 25.531 ( 0.000 0.000 -10.773) 10.773 27.557 ( 0.000 0.000 5.346) 5.346 27.646 ( 0.000 0.000 1.425) 1.425 27.661 ( 0.000 0.000 -0.277) 0.277 27.668 ( 0.000 0.000 -6.175) 6.175 27.770 ( 0.000 0.000 1.364) 1.364 27.805 ( 0.000 0.000 -2.087) 2.087 28.512 ( 0.000 0.000 6.708) 6.708 28.634 ( 0.000 0.000 -5.900) 5.900 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.12 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 11.831 0.000 18.268) 21.764 1.185 ( 8.147 0.000 16.605) 18.495 1.469 ( 8.486 0.000 -7.547) 11.356 1.519 ( -0.527 0.000 -13.197) 13.208 1.774 ( 1.097 0.000 8.128) 8.202 1.817 ( 7.102 0.000 4.100) 8.200 1.885 ( 2.613 0.000 -3.812) 4.621 1.908 ( 3.375 0.000 -6.749) 7.545 2.338 ( 10.284 0.000 29.245) 31.000 2.759 ( 1.555 0.000 1.398) 2.091 2.813 ( -0.160 0.000 -12.368) 12.369 2.828 ( 1.621 0.000 -4.585) 4.863 2.987 ( -0.225 0.000 2.397) 2.407 3.107 ( 8.761 0.000 -6.782) 11.079 3.132 ( 8.711 0.000 -9.765) 13.085 3.132 ( 9.956 0.000 -2.878) 10.364 3.464 ( -0.108 0.000 10.483) 10.484 3.618 ( 3.916 0.000 1.969) 4.383 3.669 ( 0.431 0.000 -6.979) 6.992 3.714 ( 0.662 0.000 -4.395) 4.444 3.769 ( -3.813 0.000 3.544) 5.206 3.803 ( -0.141 0.000 -0.021) 0.142 3.968 ( 2.715 0.000 1.135) 2.943 3.977 ( 3.104 0.000 2.372) 3.906 4.204 ( 14.436 0.000 5.275) 15.370 4.239 ( 7.207 0.000 3.756) 8.127 4.363 ( 1.797 0.000 -0.983) 2.048 4.381 ( 10.754 0.000 -3.160) 11.209 4.619 ( -15.418 0.000 7.060) 16.957 4.698 ( -8.232 0.000 -2.266) 8.538 4.823 ( -0.452 0.000 0.888) 0.997 4.833 ( -0.644 0.000 -0.306) 0.713 4.955 ( 0.183 0.000 -2.375) 2.382 4.971 ( -3.649 0.000 -4.268) 5.615 5.142 ( 2.941 0.000 4.301) 5.211 5.252 ( 6.846 0.000 -7.538) 10.183 6.879 ( -4.173 0.000 5.755) 7.109 6.985 ( -2.670 0.000 -5.389) 6.014 7.203 ( 0.225 0.000 11.575) 11.578 7.229 ( 0.061 0.000 5.379) 5.379 7.331 ( -1.105 0.000 -5.174) 5.290 7.414 ( 0.526 0.000 -10.497) 10.510 7.742 ( -2.621 0.000 1.963) 3.274 7.768 ( -2.051 0.000 -1.015) 2.288 7.930 ( 3.276 0.000 1.994) 3.835 7.974 ( 2.123 0.000 -2.441) 3.235 8.051 ( -11.649 0.000 4.785) 12.593 8.088 ( -8.765 0.000 0.283) 8.770 8.653 ( -5.714 0.000 9.153) 10.790 8.686 ( 13.747 0.000 12.339) 18.472 8.808 ( -5.043 0.000 -6.582) 8.291 8.916 ( 14.327 0.000 -8.408) 16.612 9.301 ( 9.229 0.000 -1.144) 9.299 9.428 ( 4.829 0.000 -10.183) 11.270 9.567 ( -0.511 0.000 -0.442) 0.675 9.571 ( 2.713 0.000 -1.561) 3.130 10.088 ( 1.632 0.000 8.485) 8.640 10.281 ( 1.448 0.000 -11.548) 11.639 10.555 ( -3.081 0.000 0.535) 3.127 10.561 ( -2.504 0.000 -0.217) 2.513 11.201 ( -7.704 0.000 6.720) 10.223 11.222 ( 2.976 0.000 4.308) 5.236 11.323 ( 4.358 0.000 -4.570) 6.315 11.334 ( -6.639 0.000 -5.545) 8.650 12.347 ( -15.710 0.000 5.975) 16.808 12.429 ( -11.620 0.000 -3.277) 12.073 12.983 ( 3.237 0.000 6.914) 7.634 13.093 ( 7.125 0.000 -4.634) 8.499 13.220 ( -10.188 0.000 8.671) 13.378 13.398 ( -8.966 0.000 -9.784) 13.271 14.973 ( -8.088 0.000 9.812) 12.715 15.179 ( -7.100 0.000 -11.417) 13.445 15.279 ( 7.396 0.000 8.859) 11.541 15.414 ( 2.640 0.000 -3.916) 4.723 15.877 ( -6.064 0.000 1.523) 6.253 15.947 ( -1.070 0.000 -7.184) 7.263 16.513 ( 14.348 0.000 2.982) 14.655 16.569 ( 15.945 0.000 -2.861) 16.199 16.797 ( 0.358 0.000 11.198) 11.204 16.990 ( 0.001 0.000 -8.981) 8.981 24.569 ( -0.223 0.000 5.701) 5.706 24.684 ( -0.738 0.000 -6.408) 6.451 24.719 ( -0.023 0.000 1.861) 1.862 24.761 ( -0.599 0.000 -2.285) 2.362 25.203 ( -5.991 0.000 8.641) 10.515 25.327 ( -4.015 0.000 -4.698) 6.180 25.343 ( -0.208 0.000 11.011) 11.013 25.548 ( 0.425 0.000 -10.395) 10.403 27.369 ( -8.743 0.000 2.911) 9.215 27.422 ( -8.859 0.000 -2.438) 9.189 27.660 ( -2.487 0.000 1.502) 2.906 27.689 ( -1.618 0.000 -1.497) 2.204 27.949 ( 12.164 0.000 6.034) 13.578 28.000 ( 4.006 0.000 2.255) 4.597 28.559 ( -5.640 0.000 -1.799) 5.920 28.620 ( 10.463 0.000 -10.676) 14.948 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.25 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 2.510 0.000 5.295) 5.860 1.354 ( 1.584 0.000 -0.860) 1.802 1.586 ( 12.336 0.000 7.702) 14.543 1.701 ( 11.653 0.000 2.319) 11.882 1.794 ( 2.852 0.000 3.974) 4.891 1.903 ( 1.152 0.000 -4.522) 4.666 1.989 ( 7.092 0.000 -0.203) 7.095 2.026 ( 4.888 0.000 -3.099) 5.788 2.518 ( 3.857 0.000 17.445) 17.866 2.679 ( -7.932 0.000 2.965) 8.468 2.814 ( -2.323 0.000 -7.041) 7.414 2.834 ( 2.498 0.000 -11.704) 11.968 3.148 ( 10.807 0.000 9.106) 14.132 3.254 ( 3.081 0.000 -1.639) 3.490 3.267 ( 0.688 0.000 6.360) 6.397 3.464 ( 14.861 0.000 -14.423) 20.710 3.570 ( 13.270 0.000 7.183) 15.089 3.700 ( 3.759 0.000 1.946) 4.233 3.714 ( -0.591 0.000 4.647) 4.684 3.752 ( 5.325 0.000 -6.487) 8.392 3.766 ( 4.664 0.000 -3.383) 5.762 3.789 ( 5.985 0.000 -4.103) 7.256 4.004 ( 1.554 0.000 -0.145) 1.561 4.008 ( 0.161 0.000 1.244) 1.254 4.229 ( -9.909 0.000 11.485) 15.168 4.426 ( -5.535 0.000 -7.905) 9.650 4.500 ( 7.344 0.000 4.542) 8.635 4.523 ( 9.887 0.000 6.157) 11.648 4.542 ( 6.737 0.000 1.582) 6.920 4.627 ( 6.953 0.000 -4.249) 8.148 4.823 ( 1.687 0.000 0.764) 1.852 4.846 ( 1.421 0.000 -1.369) 1.973 5.014 ( 7.756 0.000 -3.471) 8.497 5.016 ( 6.783 0.000 -3.911) 7.830 5.228 ( 5.708 0.000 7.123) 9.128 5.396 ( 7.698 0.000 -10.714) 13.193 6.820 ( -0.774 0.000 6.856) 6.900 6.946 ( -0.560 0.000 -6.261) 6.286 7.178 ( -2.632 0.000 8.580) 8.974 7.218 ( -1.288 0.000 7.664) 7.772 7.282 ( -3.642 0.000 -4.518) 5.803 7.418 ( -0.304 0.000 -10.905) 10.910 7.682 ( -2.914 0.000 3.906) 4.873 7.734 ( -1.272 0.000 -2.127) 2.478 7.891 ( -4.434 0.000 3.000) 5.353 7.926 ( -5.062 0.000 -0.655) 5.104 7.999 ( 1.356 0.000 0.906) 1.631 8.020 ( 1.683 0.000 -1.304) 2.129 8.538 ( -4.705 0.000 9.269) 10.395 8.698 ( -4.816 0.000 -7.299) 8.745 8.892 ( 5.422 0.000 14.458) 15.441 9.112 ( 5.677 0.000 -4.603) 7.309 9.366 ( -0.373 0.000 2.270) 2.301 9.476 ( -1.435 0.000 -3.392) 3.683 9.589 ( 2.823 0.000 -5.743) 6.399 9.628 ( -1.463 0.000 -8.817) 8.937 10.128 ( 1.992 0.000 9.017) 9.234 10.326 ( 2.570 0.000 -11.370) 11.657 10.485 ( -2.858 0.000 1.337) 3.155 10.510 ( -1.724 0.000 -1.517) 2.297 10.985 ( -11.960 0.000 6.577) 13.649 11.105 ( -10.969 0.000 -5.809) 12.412 11.344 ( 4.811 0.000 4.151) 6.354 11.423 ( 4.473 0.000 -4.093) 6.063 12.086 ( -8.274 0.000 8.271) 11.699 12.217 ( -7.513 0.000 -5.982) 9.604 12.964 ( -3.585 0.000 10.468) 11.065 13.001 ( -9.355 0.000 8.447) 12.605 13.202 ( 2.822 0.000 -7.265) 7.793 13.255 ( -5.200 0.000 -10.995) 12.162 14.783 ( -8.306 0.000 9.904) 12.926 14.994 ( -8.150 0.000 -12.132) 14.615 15.422 ( -2.541 0.000 5.505) 6.063 15.441 ( 4.864 0.000 4.870) 6.883 15.748 ( -4.028 0.000 7.604) 8.605 15.986 ( 4.184 0.000 -15.521) 16.075 16.780 ( -0.436 0.000 10.900) 10.909 16.825 ( 13.765 0.000 3.926) 14.314 16.915 ( 14.029 0.000 -3.837) 14.544 16.983 ( -0.622 0.000 -8.763) 8.785 24.562 ( -0.461 0.000 4.964) 4.985 24.663 ( -0.979 0.000 -5.788) 5.871 24.725 ( 0.693 0.000 2.489) 2.583 24.766 ( 1.034 0.000 -0.941) 1.398 25.102 ( -3.651 0.000 8.695) 9.430 25.252 ( -2.691 0.000 -6.606) 7.133 25.326 ( -1.182 0.000 10.707) 10.772 25.527 ( -2.331 0.000 -10.277) 10.538 27.230 ( -4.755 0.000 3.496) 5.902 27.304 ( -3.365 0.000 -4.263) 5.431 27.586 ( -4.197 0.000 2.123) 4.703 27.630 ( -3.489 0.000 -2.364) 4.215 27.976 ( -3.492 0.000 8.605) 9.287 28.096 ( 0.224 0.000 -3.110) 3.118 28.506 ( 2.609 0.000 13.818) 14.062 28.858 ( 10.263 0.000 -22.307) 24.554 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.38 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.795 0.000 1.248) 1.480 1.337 ( -0.897 0.000 -1.090) 1.412 1.837 ( 3.725 0.000 9.064) 9.800 1.898 ( 13.279 0.000 6.559) 14.810 1.944 ( 2.642 0.000 -2.558) 3.677 1.988 ( 11.970 0.000 -1.705) 12.091 2.094 ( 3.141 0.000 -1.817) 3.629 2.103 ( 3.061 0.000 -2.160) 3.746 2.480 ( -6.057 0.000 6.677) 9.015 2.526 ( -5.644 0.000 2.092) 6.019 2.818 ( -4.928 0.000 -1.911) 5.286 2.831 ( 3.183 0.000 -0.504) 3.222 3.110 ( -6.229 0.000 6.171) 8.768 3.284 ( 1.933 0.000 -9.493) 9.688 3.365 ( 3.306 0.000 9.935) 10.471 3.575 ( -0.591 0.000 -11.094) 11.110 3.716 ( 1.976 0.000 3.986) 4.449 3.745 ( 1.225 0.000 1.305) 1.789 3.751 ( 1.396 0.000 -1.101) 1.778 3.790 ( 2.088 0.000 -1.554) 2.603 3.989 ( -1.013 0.000 3.980) 4.107 3.994 ( 3.091 0.000 1.514) 3.442 4.053 ( 12.664 0.000 3.662) 13.183 4.085 ( 0.383 0.000 6.647) 6.658 4.166 ( 4.397 0.000 -7.832) 8.981 4.268 ( 3.406 0.000 -10.514) 11.052 4.591 ( -0.977 0.000 5.483) 5.569 4.678 ( 0.499 0.000 -3.529) 3.564 4.758 ( 11.966 0.000 8.204) 14.508 4.789 ( 14.102 0.000 4.305) 14.745 4.859 ( 2.128 0.000 0.824) 2.282 4.874 ( 1.178 0.000 -1.070) 1.592 5.161 ( 2.709 0.000 -2.170) 3.471 5.178 ( 5.506 0.000 -5.469) 7.760 5.416 ( 10.399 0.000 3.867) 11.094 5.579 ( 8.462 0.000 -11.901) 14.603 6.851 ( 3.434 0.000 6.528) 7.376 6.969 ( 2.586 0.000 -5.772) 6.325 7.091 ( -5.337 0.000 5.704) 7.811 7.187 ( -5.002 0.000 -4.699) 6.863 7.189 ( -1.128 0.000 10.591) 10.651 7.404 ( -0.863 0.000 -11.300) 11.333 7.629 ( -1.878 0.000 5.848) 6.142 7.715 ( -0.521 0.000 -3.594) 3.632 7.845 ( -0.029 0.000 0.853) 0.853 7.854 ( -1.330 0.000 0.027) 1.330 8.009 ( -0.667 0.000 1.561) 1.697 8.037 ( -0.151 0.000 -1.364) 1.372 8.460 ( -2.819 0.000 8.364) 8.827 8.612 ( -3.342 0.000 -7.339) 8.064 8.943 ( 0.557 0.000 12.911) 12.923 9.172 ( 0.926 0.000 -9.238) 9.284 9.377 ( 1.128 0.000 7.329) 7.415 9.384 ( -6.018 0.000 1.871) 6.302 9.488 ( -9.081 0.000 -2.155) 9.333 9.659 ( 3.459 0.000 -13.385) 13.825 10.163 ( 1.099 0.000 9.893) 9.954 10.373 ( 1.627 0.000 -11.318) 11.435 10.450 ( -0.717 0.000 1.433) 1.602 10.494 ( -0.164 0.000 -2.841) 2.846 10.750 ( -9.096 0.000 7.653) 11.887 10.894 ( -7.982 0.000 -7.206) 10.754 11.431 ( 3.005 0.000 3.841) 4.877 11.492 ( 2.008 0.000 -2.611) 3.294 11.991 ( -1.693 0.000 7.057) 7.257 12.122 ( -2.067 0.000 -6.704) 7.016 12.860 ( -3.962 0.000 10.504) 11.227 12.906 ( -1.024 0.000 10.816) 10.864 13.142 ( -5.644 0.000 -9.325) 10.900 13.214 ( -1.031 0.000 -11.788) 11.833 14.654 ( -3.908 0.000 10.125) 10.853 14.871 ( -3.543 0.000 -12.571) 13.061 15.354 ( -2.964 0.000 5.255) 6.033 15.432 ( -3.354 0.000 -2.787) 4.360 15.757 ( 2.880 0.000 16.867) 17.111 16.071 ( 3.213 0.000 -15.466) 15.796 16.760 ( -0.965 0.000 11.510) 11.550 16.960 ( -0.644 0.000 -9.217) 9.239 17.060 ( 7.427 0.000 4.616) 8.745 17.151 ( 7.811 0.000 -4.696) 9.114 24.552 ( -0.361 0.000 4.332) 4.347 24.649 ( -0.375 0.000 -5.982) 5.994 24.743 ( 0.768 0.000 3.681) 3.760 24.793 ( 1.253 0.000 -0.268) 1.281 25.046 ( -1.743 0.000 7.807) 7.999 25.221 ( -0.405 0.000 -8.962) 8.972 25.301 ( -1.070 0.000 9.007) 9.070 25.463 ( -3.239 0.000 -8.199) 8.816 27.158 ( -2.290 0.000 4.493) 5.043 27.255 ( -1.596 0.000 -5.738) 5.956 27.505 ( -3.004 0.000 2.786) 4.097 27.561 ( -2.641 0.000 -2.994) 3.992 27.911 ( -2.272 0.000 7.827) 8.150 28.039 ( -3.227 0.000 -5.652) 6.508 28.604 ( 4.477 0.000 20.183) 20.674 29.020 ( 5.085 0.000 -22.973) 23.529 ======================= Grid point 130 (45/60) ======================= q-point: (-0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.000 0.000 0.565) 0.565 1.329 ( 0.000 0.000 -0.250) 0.250 1.883 ( 0.000 0.000 8.797) 8.797 1.984 ( 0.000 0.000 -1.374) 1.374 2.026 ( -0.000 0.000 4.442) 4.442 2.113 ( -0.000 0.000 -4.553) 4.553 2.169 ( 0.000 0.000 -1.397) 1.397 2.180 ( 0.000 0.000 -2.157) 2.157 2.362 ( 0.000 0.000 6.722) 6.722 2.473 ( -0.000 0.000 -4.950) 4.950 2.719 ( 0.000 0.000 10.119) 10.119 2.876 ( 0.000 0.000 4.216) 4.216 3.034 ( 0.000 0.000 4.467) 4.467 3.324 ( 0.000 0.000 -15.445) 15.445 3.388 ( 0.000 0.000 7.480) 7.480 3.548 ( -0.000 0.000 -8.382) 8.382 3.745 ( 0.000 0.000 6.216) 6.216 3.749 ( 0.000 0.000 -0.413) 0.413 3.766 ( 0.000 0.000 -1.730) 1.730 3.816 ( 0.000 0.000 -1.508) 1.508 3.968 ( 0.000 0.000 6.794) 6.794 4.044 ( 0.000 0.000 0.209) 0.209 4.045 ( 0.000 0.000 0.055) 0.055 4.101 ( 0.000 0.000 -7.290) 7.290 4.260 ( 0.000 0.000 6.715) 6.715 4.395 ( 0.000 0.000 -6.989) 6.989 4.563 ( 0.000 0.000 6.598) 6.598 4.687 ( 0.000 0.000 -6.513) 6.513 4.848 ( 0.000 0.000 1.199) 1.199 4.876 ( 0.000 0.000 -1.657) 1.657 4.936 ( 0.000 0.000 13.658) 13.658 5.043 ( 0.000 0.000 9.133) 9.133 5.143 ( 0.000 0.000 -6.198) 6.198 5.223 ( 0.000 0.000 -9.578) 9.578 5.533 ( 0.000 0.000 1.642) 1.642 5.675 ( 0.000 0.000 -11.695) 11.695 6.922 ( 0.000 0.000 5.428) 5.428 7.000 ( 0.000 0.000 6.272) 6.272 7.019 ( 0.000 0.000 -4.743) 4.743 7.111 ( 0.000 0.000 -5.499) 5.499 7.177 ( 0.000 0.000 10.872) 10.872 7.393 ( 0.000 0.000 -11.431) 11.431 7.609 ( 0.000 0.000 6.626) 6.626 7.710 ( 0.000 0.000 -4.419) 4.419 7.852 ( 0.000 0.000 0.836) 0.836 7.860 ( 0.000 0.000 -0.105) 0.105 7.992 ( 0.000 0.000 2.280) 2.280 8.028 ( 0.000 0.000 -1.489) 1.489 8.426 ( 0.000 0.000 7.701) 7.701 8.572 ( 0.000 0.000 -7.262) 7.262 8.946 ( 0.000 0.000 11.874) 11.874 9.188 ( 0.000 0.000 -13.261) 13.261 9.305 ( 0.000 0.000 1.562) 1.562 9.331 ( -0.000 0.000 -1.122) 1.122 9.423 ( 0.000 0.000 13.798) 13.798 9.703 ( 0.000 0.000 -15.125) 15.125 10.173 ( 0.000 0.000 10.091) 10.091 10.389 ( 0.000 0.000 -12.203) 12.203 10.442 ( 0.000 0.000 2.400) 2.400 10.493 ( 0.000 0.000 -3.125) 3.125 10.651 ( 0.000 0.000 8.327) 8.327 10.806 ( 0.000 0.000 -7.665) 7.665 11.463 ( 0.000 0.000 3.285) 3.285 11.512 ( 0.000 0.000 -1.806) 1.806 11.979 ( 0.000 0.000 6.462) 6.462 12.105 ( 0.000 0.000 -6.691) 6.691 12.823 ( 0.000 0.000 12.170) 12.170 12.910 ( -0.000 0.000 15.222) 15.222 13.063 ( 0.000 0.000 -12.824) 12.824 13.195 ( 0.000 0.000 -14.551) 14.551 14.615 ( 0.000 0.000 10.308) 10.308 14.837 ( 0.000 0.000 -12.878) 12.878 15.321 ( 0.000 0.000 4.322) 4.322 15.388 ( 0.000 0.000 -2.818) 2.818 15.793 ( 0.000 0.000 17.570) 17.570 16.106 ( 0.000 0.000 -14.695) 14.695 16.749 ( 0.000 0.000 11.485) 11.485 16.951 ( 0.000 0.000 -9.469) 9.469 17.140 ( 0.000 0.000 4.874) 4.874 17.233 ( 0.000 0.000 -4.797) 4.797 24.548 ( 0.000 0.000 4.144) 4.144 24.646 ( 0.000 0.000 -6.229) 6.229 24.751 ( 0.000 0.000 4.235) 4.235 24.808 ( 0.000 0.000 -0.097) 0.097 25.028 ( 0.000 0.000 7.666) 7.666 25.221 ( 0.000 0.000 -10.902) 10.902 25.289 ( 0.000 0.000 8.049) 8.049 25.422 ( 0.000 0.000 -6.054) 6.054 27.134 ( 0.000 0.000 4.821) 4.821 27.237 ( 0.000 0.000 -6.118) 6.118 27.473 ( 0.000 0.000 2.976) 2.976 27.532 ( 0.000 0.000 -3.180) 3.180 27.887 ( 0.000 0.000 7.191) 7.191 28.003 ( 0.000 0.000 -4.993) 4.993 28.654 ( 0.000 0.000 20.676) 20.676 29.073 ( 0.000 0.000 -22.705) 22.705 ======================= Grid point 135 (46/60) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 0.000 14.320 22.489) 26.662 1.323 ( 0.000 21.273 20.119) 29.280 1.598 ( 0.000 17.631 -2.773) 17.848 1.606 ( 0.000 9.183 -19.940) 21.953 1.771 ( 0.000 -1.251 5.819) 5.952 1.772 ( 0.000 8.149 2.345) 8.480 1.884 ( 0.000 2.642 -8.472) 8.874 1.886 ( 0.000 -1.083 -6.837) 6.922 2.413 ( 0.000 16.844 23.816) 29.171 2.766 ( 0.000 1.320 4.847) 5.024 2.772 ( 0.000 2.677 -9.316) 9.693 2.859 ( 0.000 0.183 -4.947) 4.950 2.934 ( 0.000 -3.597 1.926) 4.080 3.002 ( 0.000 3.135 0.096) 3.136 3.027 ( 0.000 -4.550 -4.544) 6.430 3.161 ( 0.000 8.613 -15.554) 17.779 3.446 ( 0.000 -2.606 8.258) 8.660 3.557 ( 0.000 -1.895 6.558) 6.826 3.604 ( 0.000 -7.293 -6.209) 9.578 3.693 ( 0.000 -4.078 -6.341) 7.539 3.730 ( 0.000 -1.463 4.440) 4.675 3.817 ( 0.000 -0.825 -3.970) 4.055 3.903 ( 0.000 0.200 2.867) 2.874 3.951 ( 0.000 1.066 -2.259) 2.498 4.009 ( 0.000 -1.544 13.308) 13.397 4.199 ( 0.000 -2.299 -5.677) 6.125 4.218 ( 0.000 -0.108 7.369) 7.369 4.368 ( 0.000 2.230 -8.121) 8.422 4.587 ( 0.000 -12.800 12.036) 17.570 4.756 ( 0.000 -5.144 3.532) 6.240 4.765 ( 0.000 -3.640 -6.987) 7.878 4.825 ( 0.000 -6.563 -3.812) 7.589 5.011 ( 0.000 -0.720 0.239) 0.759 5.046 ( 0.000 -3.135 -3.931) 5.028 5.105 ( 0.000 2.672 1.078) 2.882 5.117 ( 0.000 2.764 -0.076) 2.765 7.064 ( 0.000 9.905 8.536) 13.076 7.201 ( 0.000 -0.125 9.029) 9.030 7.225 ( 0.000 1.409 5.933) 6.098 7.227 ( 0.000 13.261 -8.659) 15.838 7.359 ( 0.000 0.688 -3.989) 4.048 7.429 ( 0.000 3.139 -9.259) 9.777 7.819 ( 0.000 3.636 0.503) 3.670 7.831 ( 0.000 2.151 -0.557) 2.222 7.860 ( 0.000 -2.209 3.385) 4.042 7.930 ( 0.000 -1.873 -3.801) 4.238 8.170 ( 0.000 -7.301 8.340) 11.084 8.324 ( 0.000 -5.968 -8.766) 10.605 8.435 ( 0.000 0.360 2.932) 2.954 8.491 ( 0.000 0.572 -2.928) 2.983 8.814 ( 0.000 6.910 6.800) 9.695 8.932 ( 0.000 5.913 -5.441) 8.036 9.086 ( 0.000 -6.091 11.266) 12.807 9.291 ( 0.000 -10.094 -9.208) 13.663 9.563 ( 0.000 -0.190 -0.202) 0.278 9.581 ( 0.000 3.958 -2.979) 4.954 10.049 ( 0.000 -1.958 8.973) 9.184 10.257 ( 0.000 -0.966 -12.564) 12.601 10.564 ( 0.000 -3.380 0.848) 3.484 10.578 ( 0.000 -0.606 -0.861) 1.053 11.083 ( 0.000 -8.457 5.357) 10.011 11.187 ( 0.000 -8.143 -5.422) 9.783 11.244 ( 0.000 -3.810 6.911) 7.891 11.362 ( 0.000 -4.851 -5.414) 7.269 12.390 ( 0.000 -7.025 14.478) 16.093 12.645 ( 0.000 0.160 -13.769) 13.770 12.870 ( 0.000 -1.483 5.650) 5.841 12.979 ( 0.000 -0.040 -5.608) 5.608 13.586 ( 0.000 17.755 9.083) 19.943 13.759 ( 0.000 18.171 -8.915) 20.240 14.985 ( 0.000 -5.078 8.790) 10.151 15.134 ( 0.000 -4.396 -4.006) 5.948 15.276 ( 0.000 2.459 2.761) 3.697 15.418 ( 0.000 -0.069 -9.780) 9.781 15.737 ( 0.000 -14.011 9.835) 17.118 15.890 ( 0.000 -7.797 -7.113) 10.553 16.365 ( 0.000 2.341 2.720) 3.588 16.408 ( 0.000 4.025 -1.774) 4.399 16.773 ( 0.000 -1.651 11.464) 11.582 16.970 ( 0.000 -1.860 -9.139) 9.326 24.568 ( 0.000 -0.170 5.602) 5.604 24.681 ( 0.000 -0.797 -6.191) 6.242 24.715 ( 0.000 -0.645 2.051) 2.150 24.754 ( 0.000 -1.350 -1.802) 2.252 25.300 ( 0.000 2.380 14.819) 15.009 25.332 ( 0.000 1.100 11.877) 11.928 25.557 ( 0.000 2.361 -11.527) 11.766 25.583 ( 0.000 11.467 -16.538) 20.125 27.532 ( 0.000 -5.921 2.691) 6.503 27.538 ( 0.000 -1.910 5.139) 5.482 27.582 ( 0.000 -5.244 -2.578) 5.843 27.640 ( 0.000 -2.437 -5.428) 5.950 27.882 ( 0.000 7.805 3.704) 8.639 27.949 ( 0.000 9.156 -3.324) 9.741 28.344 ( 0.000 -10.072 16.213) 19.087 28.612 ( 0.000 -4.190 -13.065) 13.720 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.12 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 4.648 11.007 14.820) 19.037 1.420 ( 7.357 16.466 16.518) 24.456 1.541 ( -2.355 7.576 -8.450) 11.591 1.706 ( 5.924 13.830 -5.837) 16.138 1.794 ( 2.268 2.453 4.060) 5.258 1.856 ( 2.846 0.155 -2.616) 3.869 1.895 ( 7.835 5.865 -1.078) 9.846 1.997 ( 6.483 6.371 -9.072) 12.842 2.465 ( 3.828 11.154 21.083) 24.157 2.726 ( -0.404 -0.344 -7.484) 7.502 2.819 ( 2.787 5.118 5.157) 7.782 2.920 ( 2.032 0.343 -0.640) 2.158 2.943 ( -0.001 -3.035 1.331) 3.313 3.081 ( 10.515 -2.219 -5.736) 12.181 3.133 ( 9.420 2.145 -1.364) 9.757 3.246 ( 8.859 9.037 -14.078) 18.930 3.450 ( 0.702 -1.675 9.278) 9.454 3.577 ( 1.639 -4.823 4.515) 6.807 3.615 ( 2.204 -4.315 -6.349) 7.987 3.669 ( 0.422 -2.877 -4.623) 5.461 3.764 ( -0.836 -2.338 2.206) 3.322 3.780 ( -2.543 -0.454 -0.152) 2.588 3.966 ( 2.325 -0.243 3.205) 3.967 4.017 ( 3.938 2.531 -0.402) 4.698 4.111 ( 10.995 -4.756 6.836) 13.792 4.216 ( 5.305 -2.851 -2.580) 6.552 4.341 ( 9.108 0.016 5.802) 10.799 4.441 ( 0.600 -0.853 3.100) 3.271 4.496 ( -0.800 -4.850 3.227) 5.880 4.663 ( -7.823 -3.714 -6.881) 11.061 4.804 ( 1.979 -3.566 -0.754) 4.147 4.820 ( 0.382 -2.249 -1.717) 2.855 4.933 ( -1.413 0.375 1.199) 1.891 4.972 ( -2.528 0.738 -3.281) 4.207 5.161 ( 3.051 1.293 3.020) 4.483 5.236 ( 6.302 -0.986 -5.006) 8.109 6.961 ( -6.533 6.661 8.230) 12.441 7.117 ( -7.082 8.761 -8.018) 13.828 7.199 ( -0.830 0.041 8.259) 8.301 7.267 ( 1.542 3.643 4.855) 6.263 7.351 ( -1.138 1.161 -2.648) 3.107 7.459 ( 1.455 4.693 -8.933) 10.195 7.756 ( -4.389 0.387 1.773) 4.749 7.778 ( -2.792 0.597 -0.941) 3.006 7.919 ( 2.933 -1.230 1.813) 3.661 7.957 ( 1.586 -2.152 -2.024) 3.354 8.035 ( -7.465 -0.852 4.004) 8.514 8.080 ( -8.826 -0.028 -0.912) 8.873 8.592 ( 7.030 -4.627 9.022) 12.338 8.734 ( 1.529 2.077 2.496) 3.589 8.796 ( 2.999 0.189 -2.444) 3.873 8.918 ( 2.595 3.566 -6.771) 8.081 9.212 ( 7.907 -7.937 5.235) 12.366 9.363 ( 5.564 -13.217 -7.906) 16.375 9.538 ( -2.105 -0.014 0.888) 2.285 9.588 ( 1.160 5.937 -5.452) 8.144 10.080 ( 2.753 -1.055 8.757) 9.240 10.274 ( 1.936 -0.678 -11.200) 11.386 10.547 ( -1.799 -1.524 1.034) 2.574 10.573 ( -0.642 0.784 -1.979) 2.224 11.098 ( 0.815 -10.790 5.130) 11.975 11.159 ( -5.896 -5.156 4.005) 8.797 11.220 ( 0.972 -8.698 -2.889) 9.217 11.292 ( -5.746 -4.272 -5.181) 8.838 12.264 ( -9.669 -2.878 11.757) 15.492 12.453 ( -13.111 2.710 -8.915) 16.084 12.926 ( 1.738 -3.822 6.612) 7.832 13.048 ( 4.181 -2.721 -6.089) 7.872 13.447 ( -10.387 17.324 10.257) 22.655 13.646 ( -7.793 18.543 -10.767) 22.815 14.912 ( -8.225 -5.905 10.006) 14.235 15.114 ( -6.600 -5.871 -10.269) 13.545 15.315 ( 6.692 2.878 7.353) 10.351 15.430 ( 3.277 1.576 -1.998) 4.149 15.793 ( 2.975 -6.918 1.919) 7.771 15.889 ( -0.557 -4.040 -7.530) 8.564 16.504 ( 12.070 -0.441 3.402) 12.548 16.564 ( 13.294 0.269 -2.763) 13.581 16.778 ( 0.369 -1.794 11.068) 11.218 16.970 ( -0.055 -1.937 -9.010) 9.216 24.567 ( -0.160 -0.120 5.475) 5.479 24.677 ( -0.457 -0.592 -6.034) 6.080 24.713 ( -0.078 -0.678 2.054) 2.164 24.751 ( 0.030 -0.796 -1.640) 1.824 25.235 ( -4.597 3.385 12.745) 13.965 25.337 ( -0.433 0.938 11.274) 11.321 25.466 ( -6.529 8.090 -9.960) 14.397 25.584 ( -0.655 3.658 -12.445) 12.988 27.359 ( -7.729 -0.810 3.149) 8.385 27.415 ( -7.431 -0.575 -2.502) 7.862 27.602 ( -1.005 -4.503 2.932) 5.467 27.663 ( -1.635 -2.872 -3.241) 4.629 27.998 ( 6.853 3.700 5.185) 9.356 28.043 ( 3.896 4.219 2.612) 6.309 28.416 ( 4.494 -8.366 5.207) 10.830 28.610 ( 3.446 -3.082 -13.991) 14.735 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.25 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 2.201 6.128 4.557) 7.947 1.430 ( -3.640 5.985 -4.712) 8.442 1.665 ( 11.220 6.341 13.048) 18.340 1.842 ( 4.386 4.085 4.232) 7.338 1.859 ( 5.990 8.314 -3.216) 10.740 1.923 ( 4.291 4.566 -0.607) 6.295 2.073 ( 7.108 7.934 -2.718) 10.994 2.105 ( 3.373 6.659 -4.029) 8.482 2.504 ( -0.602 1.778 12.101) 12.246 2.692 ( -4.556 0.466 -5.969) 7.524 2.795 ( 0.376 1.948 2.396) 3.111 2.925 ( 0.919 2.839 -8.767) 9.261 3.170 ( 10.493 1.603 11.278) 15.488 3.258 ( 1.079 -0.576 3.843) 4.034 3.296 ( 5.096 2.675 -0.338) 5.766 3.431 ( 2.925 -2.156 -12.216) 12.745 3.553 ( 11.154 -1.935 7.388) 13.518 3.667 ( 5.110 -0.985 1.690) 5.471 3.692 ( 5.842 -2.832 2.675) 7.022 3.714 ( 3.166 -1.783 -1.057) 3.784 3.765 ( 2.089 -1.137 -2.809) 3.681 3.803 ( 13.040 1.239 -8.900) 15.836 3.975 ( -0.363 -1.609 4.004) 4.331 4.046 ( -0.263 2.529 -2.399) 3.496 4.213 ( -6.863 -1.131 11.125) 13.120 4.384 ( 5.738 -2.904 -2.986) 7.090 4.444 ( 7.050 -2.262 1.739) 7.605 4.489 ( 0.811 -1.943 -3.365) 3.970 4.562 ( 9.042 0.384 7.121) 11.515 4.670 ( 7.274 1.774 -3.521) 8.273 4.844 ( 1.869 1.128 0.312) 2.205 4.854 ( 1.875 -0.073 -0.903) 2.083 5.000 ( 8.123 -0.573 -0.710) 8.174 5.035 ( 9.840 1.987 -4.185) 10.876 5.238 ( 5.060 0.705 5.067) 7.195 5.369 ( 7.174 -2.391 -8.558) 11.420 6.861 ( -2.423 3.756 7.375) 8.624 7.000 ( -3.461 4.481 -7.086) 9.070 7.163 ( -2.788 -0.774 7.221) 7.780 7.258 ( -2.373 1.568 0.601) 2.907 7.313 ( -2.282 3.972 2.705) 5.320 7.469 ( -0.308 4.735 -9.175) 10.329 7.667 ( -3.891 -1.446 3.894) 5.692 7.726 ( -2.183 -1.378 -2.627) 3.683 7.909 ( -3.693 0.539 1.438) 4.000 7.927 ( -4.686 -0.839 -0.210) 4.765 7.977 ( 1.672 -0.715 1.754) 2.526 8.010 ( 1.056 -0.140 -1.666) 1.978 8.594 ( -3.219 4.092 8.531) 9.994 8.735 ( -2.821 2.091 -4.529) 5.731 8.821 ( 2.412 -1.734 9.242) 9.707 9.019 ( 3.370 -6.679 -8.162) 11.072 9.291 ( -0.837 -10.999 4.702) 11.991 9.408 ( -2.800 -15.247 -6.557) 16.832 9.511 ( 0.208 2.392 4.278) 4.906 9.650 ( 4.144 6.750 -9.951) 12.718 10.150 ( 3.532 0.792 9.094) 9.788 10.338 ( 3.761 0.263 -10.099) 10.780 10.493 ( -2.864 0.428 2.139) 3.600 10.549 ( -1.409 2.442 -4.357) 5.189 10.952 ( -11.254 -3.459 5.899) 13.169 11.055 ( -8.889 -5.501 -4.363) 11.328 11.197 ( 1.737 -12.830 4.048) 13.565 11.288 ( 2.954 -13.313 -5.060) 14.546 12.069 ( -7.801 1.260 8.488) 11.597 12.205 ( -9.570 2.825 -6.142) 11.718 12.911 ( -2.366 -4.126 10.259) 11.308 13.090 ( -0.593 -2.771 -8.174) 8.651 13.265 ( -5.819 15.817 11.099) 20.179 13.502 ( -5.908 17.530 -13.315) 22.793 14.724 ( -8.031 -5.558 10.015) 13.988 14.934 ( -7.900 -5.551 -11.959) 15.370 15.445 ( -2.133 2.177 7.023) 7.655 15.481 ( 5.755 3.731 5.299) 8.667 15.764 ( -2.710 1.490 4.602) 5.544 15.972 ( 6.628 -1.102 -14.600) 16.072 16.748 ( 2.396 -2.672 10.188) 10.802 16.798 ( 10.930 -2.334 4.522) 12.057 16.885 ( 13.098 -2.484 -3.695) 13.834 16.964 ( -0.501 -1.863 -8.676) 8.888 24.561 ( -0.384 0.012 4.977) 4.991 24.663 ( -0.743 -0.069 -5.768) 5.816 24.717 ( 0.479 -0.921 2.720) 2.912 24.764 ( 1.158 -0.380 -1.702) 2.093 25.142 ( -3.842 3.690 10.770) 12.016 25.312 ( -1.978 2.811 2.181) 4.071 25.350 ( -3.719 4.086 0.360) 5.537 25.546 ( -2.889 1.666 -11.246) 11.730 27.231 ( -4.594 0.101 3.792) 5.957 27.308 ( -3.323 0.315 -4.240) 5.396 27.540 ( -4.027 -4.105 2.835) 6.411 27.601 ( -3.707 -2.964 -3.250) 5.752 27.999 ( -2.617 2.405 8.595) 9.301 28.124 ( -0.092 2.783 -3.921) 4.809 28.475 ( 4.407 -2.573 13.096) 14.056 28.793 ( 9.856 -5.566 -19.329) 22.399 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.38 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -0.103 4.837 -0.171) 4.841 1.388 ( 0.483 4.964 -1.707) 5.271 1.830 ( 3.744 -0.358 8.157) 8.982 1.941 ( 2.250 -0.093 -2.781) 3.578 1.978 ( 8.174 2.284 5.419) 10.070 2.058 ( 6.563 6.163 0.118) 9.004 2.147 ( 1.192 4.262 -1.710) 4.744 2.181 ( 3.131 8.434 -3.974) 9.835 2.483 ( 0.099 4.928 9.667) 10.851 2.590 ( -3.635 5.399 -1.002) 6.585 2.857 ( 4.146 1.982 -0.441) 4.616 2.887 ( -5.977 4.856 -2.089) 7.979 3.194 ( -4.603 6.764 7.867) 11.350 3.251 ( 1.794 -5.837 5.077) 7.941 3.368 ( 1.108 3.076 -5.610) 6.493 3.427 ( -1.383 -11.611 -8.207) 14.286 3.680 ( 2.972 -2.466 2.458) 4.578 3.724 ( 1.915 -1.959 -2.013) 3.400 3.754 ( 0.209 -1.265 0.281) 1.312 3.761 ( 1.520 -0.977 0.150) 1.813 3.976 ( 0.843 -2.756 2.644) 3.911 3.996 ( 4.236 -2.395 0.924) 4.953 4.044 ( 0.776 -0.646 1.005) 1.424 4.112 ( 9.242 4.052 4.046) 10.872 4.164 ( 3.462 0.796 -1.352) 3.801 4.323 ( 5.016 4.400 -9.538) 11.640 4.559 ( -0.709 -2.124 4.467) 4.997 4.610 ( 1.639 -2.906 -0.087) 3.338 4.798 ( 12.210 1.306 4.394) 13.042 4.811 ( 5.806 1.083 1.391) 6.068 4.889 ( 4.476 2.011 1.602) 5.162 4.919 ( 7.344 4.401 0.347) 8.569 5.157 ( 3.951 0.011 0.876) 4.047 5.223 ( 4.447 2.970 -5.590) 7.736 5.428 ( 11.435 1.147 2.228) 11.706 5.553 ( 9.104 -2.124 -9.766) 13.519 6.861 ( 2.030 1.064 6.270) 6.676 6.975 ( 0.797 0.750 -5.390) 5.500 7.081 ( -4.779 -0.838 5.680) 7.470 7.180 ( -4.437 -0.206 -3.962) 5.952 7.269 ( -1.582 6.484 8.346) 10.687 7.456 ( -0.668 4.865 -10.003) 11.143 7.599 ( -2.437 -2.552 5.564) 6.589 7.689 ( -1.164 -2.696 -4.103) 5.046 7.851 ( -1.721 -0.930 0.840) 2.129 7.861 ( -1.453 -0.137 -0.035) 1.460 7.996 ( 0.192 -0.359 1.855) 1.899 8.029 ( 0.677 -0.139 -1.642) 1.782 8.526 ( -3.056 5.939 7.776) 10.251 8.666 ( -3.371 4.556 -6.340) 8.504 8.851 ( 0.526 -5.404 10.441) 11.768 9.052 ( 0.526 -8.483 -8.694) 12.158 9.207 ( -5.596 -12.192 3.300) 13.815 9.292 ( -6.804 -13.333 -5.057) 15.800 9.530 ( 1.348 6.623 9.053) 11.298 9.730 ( 3.196 5.727 -11.257) 13.028 10.209 ( 1.758 2.447 9.917) 10.365 10.406 ( 2.273 1.457 -8.657) 9.068 10.452 ( -0.723 -0.161 1.072) 1.304 10.520 ( -1.381 1.926 -5.911) 6.368 10.728 ( -8.704 -1.922 7.253) 11.491 10.865 ( -7.456 -2.541 -6.896) 10.470 11.251 ( 2.328 -17.752 5.241) 18.655 11.343 ( 1.941 -16.233 -4.415) 16.934 11.952 ( -3.501 1.542 6.312) 7.381 12.062 ( -4.261 0.884 -5.298) 6.856 12.866 ( -1.355 -4.213 12.654) 13.405 13.068 ( -0.048 6.106 -2.608) 6.640 13.179 ( -3.425 7.512 2.649) 8.671 13.387 ( -4.975 17.766 -13.095) 22.624 14.602 ( -3.598 -4.942 10.109) 11.813 14.817 ( -3.301 -5.047 -12.414) 13.801 15.385 ( -2.692 3.024 6.881) 7.984 15.494 ( -2.626 5.823 -4.214) 7.653 15.780 ( 2.845 1.838 16.283) 16.632 16.088 ( 3.954 1.402 -15.269) 15.835 16.745 ( -0.574 -1.278 11.216) 11.303 16.941 ( -0.342 -1.751 -8.998) 9.173 17.020 ( 7.071 -3.655 4.762) 9.276 17.115 ( 7.742 -3.219 -4.944) 9.734 24.553 ( -0.331 0.112 4.448) 4.461 24.651 ( -0.354 0.169 -5.976) 5.989 24.730 ( 0.616 -1.252 3.838) 4.084 24.791 ( 1.197 -0.449 -1.763) 2.178 25.081 ( -1.947 3.294 9.632) 10.364 25.274 ( -0.940 4.426 -8.728) 9.832 25.304 ( -1.324 0.423 8.492) 8.605 25.474 ( -3.498 0.931 -8.762) 9.480 27.160 ( -2.317 0.160 4.665) 5.211 27.258 ( -1.673 0.238 -5.670) 5.916 27.463 ( -2.849 -3.866 3.373) 5.868 27.530 ( -2.616 -2.977 -3.549) 5.320 27.950 ( -1.730 3.815 7.749) 8.808 28.078 ( -2.582 3.849 -5.738) 7.376 28.583 ( 4.408 -2.012 17.925) 18.568 28.951 ( 5.055 -6.138 -20.266) 21.770 ======================= Grid point 139 (50/60) ======================= q-point: (-0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.000 4.198 0.724) 4.260 1.400 ( -0.000 6.006 -2.499) 6.505 1.866 ( 0.000 -1.684 7.277) 7.469 1.965 ( 0.000 -2.052 -2.940) 3.586 2.080 ( -0.000 -5.526 3.129) 6.350 2.128 ( -0.000 8.707 4.072) 9.612 2.160 ( 0.000 -1.565 -4.128) 4.415 2.212 ( -0.000 8.431 -4.495) 9.554 2.492 ( -0.000 12.275 7.433) 14.350 2.589 ( -0.000 9.798 -2.418) 10.092 2.760 ( 0.000 3.443 9.807) 10.394 2.912 ( 0.000 2.196 -2.784) 3.546 3.136 ( 0.000 8.607 9.071) 12.504 3.284 ( -0.000 -8.746 3.873) 9.565 3.374 ( 0.000 3.950 -11.397) 12.062 3.398 ( -0.000 -12.467 -7.149) 14.371 3.715 ( 0.000 -2.872 4.663) 5.477 3.746 ( 0.000 -1.512 -1.200) 1.930 3.751 ( 0.000 0.623 -2.315) 2.397 3.775 ( 0.000 -2.392 -1.328) 2.736 3.999 ( 0.000 1.072 6.099) 6.192 4.000 ( -0.000 -4.094 1.204) 4.267 4.029 ( 0.000 -1.912 -1.897) 2.694 4.126 ( 0.000 1.224 -7.006) 7.112 4.300 ( -0.000 4.176 9.270) 10.167 4.459 ( 0.000 4.945 -7.309) 8.825 4.515 ( 0.000 -3.504 5.634) 6.634 4.598 ( 0.000 -4.981 -2.822) 5.725 4.850 ( 0.000 -0.014 1.167) 1.167 4.875 ( 0.000 0.015 -1.423) 1.423 5.050 ( 0.000 6.670 8.370) 10.703 5.071 ( 0.000 3.060 9.042) 9.546 5.173 ( -0.000 1.499 -2.798) 3.175 5.251 ( 0.000 2.856 -9.534) 9.953 5.561 ( 0.000 2.400 0.040) 2.400 5.659 ( 0.000 -1.183 -9.244) 9.319 6.904 ( 0.000 -1.265 5.393) 5.539 7.001 ( 0.000 -0.123 6.643) 6.645 7.005 ( -0.000 -1.023 -5.077) 5.179 7.117 ( 0.000 0.407 -5.482) 5.497 7.252 ( 0.000 6.899 9.474) 11.720 7.449 ( 0.000 5.345 -10.636) 11.903 7.572 ( 0.000 -3.337 6.625) 7.418 7.678 ( 0.000 -3.163 -4.738) 5.697 7.836 ( 0.000 -2.246 1.154) 2.526 7.851 ( 0.000 -1.687 -0.367) 1.727 7.996 ( 0.000 0.449 2.480) 2.520 8.039 ( 0.000 0.906 -1.966) 2.165 8.486 ( 0.000 5.658 7.166) 9.130 8.620 ( 0.000 4.188 -6.472) 7.709 8.855 ( 0.000 -5.804 10.013) 11.574 9.062 ( 0.000 -8.595 -11.337) 14.227 9.129 ( 0.000 -11.793 4.739) 12.710 9.206 ( -0.000 -10.400 -3.309) 10.914 9.548 ( 0.000 7.223 10.427) 12.684 9.768 ( 0.000 5.030 -12.068) 13.075 10.225 ( 0.000 3.070 10.323) 10.770 10.434 ( 0.000 -0.767 2.604) 2.715 10.444 ( -0.000 3.237 -12.313) 12.731 10.499 ( 0.000 -0.010 -4.276) 4.276 10.635 ( 0.000 -1.200 7.865) 7.956 10.783 ( 0.000 -1.793 -7.406) 7.620 11.277 ( 0.000 -19.044 5.119) 19.720 11.363 ( 0.000 -16.927 -3.868) 17.364 11.917 ( 0.000 1.010 5.561) 5.652 12.019 ( 0.000 -0.272 -5.141) 5.148 12.854 ( 0.000 -5.165 14.228) 15.136 13.089 ( 0.000 20.044 11.821) 23.270 13.124 ( 0.000 -6.645 -13.824) 15.338 13.325 ( 0.000 19.736 -12.697) 23.468 14.566 ( 0.000 -4.655 10.246) 11.254 14.785 ( 0.000 -4.842 -12.696) 13.587 15.354 ( 0.000 3.315 6.080) 6.925 15.458 ( 0.000 6.533 -4.776) 8.093 15.816 ( 0.000 1.715 17.699) 17.782 16.130 ( 0.000 1.959 -14.782) 14.911 16.738 ( 0.000 -0.863 11.008) 11.042 16.934 ( 0.000 -1.491 -9.313) 9.431 17.097 ( 0.000 -3.931 5.245) 6.555 17.197 ( 0.000 -3.323 -5.120) 6.104 24.549 ( -0.000 0.140 4.273) 4.276 24.647 ( -0.000 0.203 -6.183) 6.186 24.737 ( 0.000 -1.384 4.362) 4.576 24.805 ( 0.000 -0.542 -1.819) 1.898 25.061 ( 0.000 3.130 9.458) 9.962 25.269 ( 0.000 4.115 -11.236) 11.966 25.290 ( 0.000 0.065 8.327) 8.327 25.430 ( 0.000 0.674 -6.432) 6.467 27.135 ( 0.000 0.130 4.939) 4.941 27.239 ( 0.000 0.184 -6.084) 6.087 27.432 ( -0.000 -3.721 3.589) 5.170 27.502 ( 0.000 -2.876 -3.628) 4.630 27.932 ( 0.000 4.325 7.138) 8.346 28.049 ( 0.000 4.468 -5.186) 6.846 28.631 ( 0.000 -2.187 18.376) 18.506 29.004 ( 0.000 -6.260 -20.194) 21.142 ======================= Grid point 144 (51/60) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.000 18.324 14.598) 23.429 1.580 ( 0.000 4.349 18.144) 18.658 1.737 ( 0.000 -0.889 3.371) 3.486 1.800 ( 0.000 3.931 -6.058) 7.221 1.879 ( 0.000 -2.416 -11.620) 11.869 1.935 ( 0.000 11.153 -15.079) 18.755 2.039 ( 0.000 23.565 0.890) 23.582 2.120 ( 0.000 20.892 -7.349) 22.147 2.759 ( 0.000 -4.039 6.189) 7.391 2.784 ( 0.000 5.956 6.363) 8.715 2.797 ( 0.000 1.290 2.854) 3.132 2.859 ( 0.000 -0.454 -3.608) 3.637 2.880 ( 0.000 -5.533 -4.229) 6.964 2.904 ( 0.000 2.298 -4.308) 4.883 3.153 ( 0.000 15.377 10.536) 18.640 3.323 ( 0.000 -9.656 4.210) 10.534 3.381 ( 0.000 -12.376 -0.903) 12.409 3.383 ( 0.000 9.524 -7.538) 12.146 3.528 ( 0.000 -2.135 4.940) 5.381 3.618 ( 0.000 -2.061 -3.318) 3.906 3.719 ( 0.000 2.116 -1.759) 2.752 3.766 ( 0.000 -2.715 -3.647) 4.546 3.913 ( 0.000 0.608 3.641) 3.692 3.976 ( 0.000 1.349 -3.110) 3.390 4.013 ( 0.000 1.898 10.401) 10.573 4.163 ( 0.000 -1.008 -4.125) 4.246 4.197 ( 0.000 -2.306 9.073) 9.361 4.390 ( 0.000 -5.347 16.454) 17.301 4.397 ( 0.000 -1.048 -11.240) 11.288 4.618 ( 0.000 -7.868 4.808) 9.221 4.680 ( 0.000 -3.328 -13.443) 13.848 4.698 ( 0.000 -4.430 -3.618) 5.720 5.014 ( 0.000 1.212 0.371) 1.268 5.037 ( 0.000 1.739 -1.657) 2.401 5.140 ( 0.000 0.459 1.915) 1.969 5.162 ( 0.000 1.092 -0.365) 1.152 7.199 ( 0.000 0.558 6.608) 6.631 7.239 ( 0.000 5.558 11.770) 13.016 7.272 ( 0.000 2.454 1.687) 2.978 7.380 ( 0.000 2.058 2.317) 3.098 7.417 ( 0.000 4.499 -5.794) 7.336 7.522 ( 0.000 4.979 -9.601) 10.816 7.736 ( 0.000 -9.716 3.925) 10.478 7.840 ( 0.000 -6.443 -6.799) 9.367 7.881 ( 0.000 3.011 1.391) 3.317 7.911 ( 0.000 4.771 -1.738) 5.077 8.075 ( 0.000 -1.367 6.595) 6.735 8.226 ( 0.000 -3.352 -10.147) 10.686 8.457 ( 0.000 1.941 3.194) 3.738 8.518 ( 0.000 2.194 -3.206) 3.884 8.894 ( 0.000 -11.523 6.484) 13.222 8.998 ( 0.000 -15.432 -4.281) 16.014 9.039 ( 0.000 14.620 4.956) 15.437 9.123 ( 0.000 12.491 -3.942) 13.098 9.586 ( 0.000 2.081 2.868) 3.543 9.666 ( 0.000 2.686 -5.661) 6.265 9.992 ( 0.000 -3.329 10.478) 10.994 10.230 ( 0.000 -1.443 -14.069) 14.143 10.413 ( 0.000 -12.365 6.247) 13.853 10.535 ( 0.000 -5.539 -6.461) 8.510 10.914 ( 0.000 -5.125 3.745) 6.347 10.985 ( 0.000 -8.210 -3.749) 9.025 11.138 ( 0.000 -6.060 5.637) 8.277 11.228 ( 0.000 -7.606 -3.862) 8.531 12.378 ( 0.000 5.011 16.825) 17.556 12.693 ( 0.000 4.573 -16.828) 17.439 12.817 ( 0.000 -3.853 7.699) 8.609 12.967 ( 0.000 -1.433 -7.784) 7.915 13.959 ( 0.000 17.294 10.959) 20.474 14.159 ( 0.000 18.862 -10.288) 21.486 14.825 ( 0.000 -9.963 9.906) 14.049 15.009 ( 0.000 -8.014 -8.229) 11.486 15.319 ( 0.000 1.631 4.347) 4.643 15.443 ( 0.000 2.565 -7.628) 8.047 15.499 ( 0.000 -8.129 13.230) 15.528 15.727 ( 0.000 -6.979 -11.022) 13.045 16.429 ( 0.000 3.831 4.967) 6.273 16.516 ( 0.000 6.218 -4.153) 7.477 16.719 ( 0.000 -3.545 10.817) 11.383 16.908 ( 0.000 -4.127 -8.916) 9.824 24.571 ( 0.000 0.643 4.800) 4.843 24.668 ( 0.000 -0.234 -5.324) 5.329 24.688 ( 0.000 -1.928 2.254) 2.966 24.728 ( 0.000 -1.236 -1.904) 2.270 25.362 ( 0.000 1.609 13.637) 13.732 25.368 ( 0.000 3.008 19.535) 19.765 25.622 ( 0.000 3.706 -13.455) 13.956 25.750 ( 0.000 4.083 -21.092) 21.484 27.434 ( 0.000 -3.315 3.565) 4.868 27.481 ( 0.000 -3.256 5.340) 6.254 27.500 ( 0.000 -2.515 -3.257) 4.115 27.579 ( 0.000 -3.219 -4.948) 5.903 28.032 ( 0.000 6.231 5.567) 8.356 28.136 ( 0.000 8.406 -5.177) 9.872 28.201 ( 0.000 -3.613 17.030) 17.409 28.499 ( 0.000 -5.569 -14.498) 15.531 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.12 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -1.369 9.241 11.421) 14.755 1.670 ( 3.970 7.317 10.335) 13.271 1.715 ( -6.745 6.010 -8.841) 12.641 1.799 ( 2.652 0.081 0.600) 2.720 1.848 ( 4.716 4.895 1.648) 6.994 2.069 ( 5.426 8.907 -13.802) 17.300 2.123 ( 7.382 18.395 1.478) 19.876 2.201 ( 6.281 17.025 -5.685) 19.016 2.686 ( -4.755 4.957 5.828) 9.009 2.749 ( -0.733 -3.321 -0.126) 3.404 2.800 ( -1.469 -1.747 1.186) 2.572 2.871 ( 1.989 -3.677 -4.223) 5.942 2.990 ( 9.827 3.504 2.980) 10.851 3.043 ( 9.079 -1.444 -2.692) 9.579 3.258 ( 7.709 10.783 7.304) 15.134 3.343 ( 3.629 -4.395 4.408) 7.205 3.398 ( 1.923 -8.218 -1.259) 8.534 3.481 ( 8.997 4.899 -1.597) 10.368 3.552 ( 2.238 -1.847 2.168) 3.622 3.618 ( 1.503 -0.915 -2.808) 3.314 3.741 ( -1.815 -0.298 -1.369) 2.293 3.755 ( 0.757 1.277 -4.066) 4.328 3.957 ( 1.533 -0.130 6.420) 6.602 4.042 ( 5.798 0.099 -2.359) 6.260 4.087 ( 8.258 1.707 5.872) 10.276 4.187 ( 2.877 -0.338 -2.602) 3.894 4.305 ( 8.661 -2.944 8.332) 12.373 4.355 ( -1.439 -2.760 12.487) 12.869 4.474 ( 7.341 -2.196 -9.249) 12.011 4.594 ( -4.720 -2.043 -9.693) 10.973 4.673 ( 4.323 -7.372 3.637) 9.288 4.765 ( 4.280 -2.551 -5.909) 7.729 4.979 ( -1.364 3.215 1.971) 4.010 5.014 ( -0.619 3.122 -1.731) 3.623 5.175 ( 2.371 -0.340 2.007) 3.126 5.214 ( 3.691 -1.433 -2.202) 4.531 7.096 ( -7.902 5.622 9.786) 13.778 7.175 ( -2.496 0.303 5.264) 5.834 7.299 ( -4.202 3.396 -4.470) 7.013 7.307 ( -4.142 2.644 -5.711) 7.534 7.423 ( 2.078 4.743 6.828) 8.569 7.553 ( 0.822 2.442 -4.016) 4.772 7.716 ( -2.030 -4.285 1.207) 4.893 7.784 ( -4.822 -1.038 -5.212) 7.176 7.876 ( -0.229 -1.700 0.805) 1.895 7.897 ( -0.947 -1.020 -1.413) 1.983 8.040 ( -2.381 0.885 3.537) 4.355 8.108 ( -5.497 1.734 -3.673) 6.835 8.523 ( 4.198 -1.391 6.296) 7.694 8.660 ( 7.203 -3.885 -8.089) 11.508 8.904 ( 0.621 -6.908 6.828) 9.733 9.001 ( -0.015 -6.890 -2.218) 7.238 9.053 ( 0.497 0.815 2.163) 2.364 9.125 ( 0.175 10.619 -5.091) 11.778 9.592 ( 0.969 3.992 4.775) 6.299 9.701 ( 3.240 3.703 -6.650) 8.272 10.035 ( 3.713 -3.247 9.857) 11.022 10.249 ( 2.006 -1.801 -11.714) 12.020 10.428 ( 1.031 -12.017 5.208) 13.137 10.550 ( 0.845 -5.517 -7.213) 9.120 10.876 ( -3.256 -6.743 3.628) 8.320 10.943 ( -3.694 -9.932 -3.265) 11.089 11.085 ( -4.850 -5.708 5.030) 9.022 11.171 ( -5.302 -6.991 -3.859) 9.586 12.311 ( -5.537 6.795 14.137) 16.634 12.563 ( -9.588 7.304 -12.144) 17.110 12.831 ( -0.421 -5.496 7.235) 9.096 12.984 ( 0.763 -3.782 -8.223) 9.084 13.826 ( -9.647 18.118 11.152) 23.360 14.042 ( -8.389 18.541 -11.576) 23.412 14.737 ( -8.069 -10.581 10.404) 16.891 14.945 ( -7.395 -10.179 -11.050) 16.745 15.384 ( 7.918 3.532 8.403) 12.074 15.470 ( 3.802 1.767 4.840) 6.403 15.676 ( 11.977 -3.145 -1.602) 12.487 15.806 ( 4.060 -3.762 -10.679) 12.028 16.512 ( 7.689 1.391 4.998) 9.275 16.599 ( 7.806 3.165 -3.938) 9.298 16.724 ( 0.613 -3.334 10.299) 10.842 16.909 ( 0.013 -4.005 -8.802) 9.670 24.571 ( -0.080 0.659 4.828) 4.874 24.668 ( -0.064 -0.090 -5.341) 5.342 24.686 ( -0.120 -1.885 2.439) 3.085 24.731 ( 0.385 -1.175 -2.258) 2.574 25.317 ( -3.600 3.667 16.018) 16.822 25.361 ( -0.867 1.295 14.477) 14.560 25.588 ( -3.769 4.184 -12.698) 13.891 25.681 ( -5.054 3.949 -17.562) 18.697 27.343 ( -5.716 -0.548 3.758) 6.863 27.401 ( -5.144 -0.703 -1.318) 5.356 27.502 ( -1.533 -4.616 2.190) 5.334 27.576 ( -1.836 -4.926 -4.415) 6.864 28.080 ( 1.791 4.089 7.122) 8.406 28.152 ( 3.179 5.302 3.617) 7.162 28.304 ( 6.525 -2.056 4.444) 8.158 28.522 ( 3.586 -4.604 -13.790) 14.974 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.093 7.948 3.017) 8.502 1.570 ( -5.464 6.754 -4.155) 9.629 1.754 ( 3.590 1.651 5.627) 6.876 1.853 ( 2.248 -2.301 -3.978) 5.116 1.968 ( 5.057 7.428 7.916) 11.976 2.146 ( 1.624 7.173 -8.316) 11.101 2.259 ( 4.363 12.966 1.515) 13.764 2.316 ( 4.886 13.527 -3.955) 14.917 2.603 ( -2.233 1.936 6.444) 7.089 2.714 ( -1.373 -1.695 -5.781) 6.178 2.805 ( 2.572 2.879 8.669) 9.490 2.980 ( 5.686 3.210 -9.550) 11.569 3.124 ( 0.356 -4.964 4.044) 6.413 3.182 ( 3.285 -6.983 -2.280) 8.047 3.376 ( 4.697 2.764 1.483) 5.648 3.411 ( -1.616 -0.232 1.102) 1.970 3.515 ( 8.238 -1.062 7.020) 10.875 3.647 ( 5.345 -2.593 0.709) 5.983 3.663 ( 1.816 -2.358 0.705) 3.059 3.679 ( 4.291 1.809 5.398) 7.129 3.769 ( 9.747 2.216 -4.286) 10.876 3.818 ( 6.183 2.082 -5.671) 8.644 3.987 ( 3.990 2.432 2.937) 5.519 4.077 ( -1.360 -0.149 -4.746) 4.939 4.206 ( -0.463 0.952 9.594) 9.652 4.339 ( 7.871 -1.073 -2.463) 8.317 4.434 ( 10.060 1.709 3.305) 10.726 4.497 ( 1.267 -0.749 -0.891) 1.720 4.541 ( 9.966 1.325 2.859) 10.452 4.669 ( 9.946 -1.997 -5.919) 11.745 4.815 ( 7.055 -3.045 1.340) 7.800 4.858 ( 3.766 0.182 -2.296) 4.414 5.021 ( 6.377 2.425 3.195) 7.534 5.083 ( 8.845 2.190 -3.137) 9.637 5.243 ( 5.020 -0.648 2.122) 5.489 5.307 ( 6.063 -3.506 -4.611) 8.385 6.958 ( -4.774 5.106 7.908) 10.555 7.087 ( -5.216 2.756 -1.775) 6.161 7.169 ( -5.069 1.810 0.249) 5.388 7.255 ( -3.518 -0.667 -5.031) 6.175 7.436 ( -0.622 5.749 7.432) 9.417 7.536 ( -1.885 -0.610 0.251) 1.997 7.670 ( -2.414 1.457 -3.423) 4.434 7.682 ( -4.170 -1.062 -3.603) 5.613 7.848 ( -2.781 -4.023 0.580) 4.925 7.859 ( -2.606 -3.550 -0.615) 4.447 8.012 ( 0.115 1.994 2.435) 3.149 8.058 ( -0.264 3.242 -2.391) 4.037 8.582 ( 1.293 -3.076 8.133) 8.791 8.742 ( 0.939 -4.172 -8.294) 9.332 8.905 ( -0.595 -1.495 7.380) 7.553 8.984 ( -1.869 0.399 -0.184) 1.920 9.034 ( -2.128 -9.632 0.095) 9.864 9.112 ( -1.732 5.623 -7.447) 9.491 9.634 ( 2.664 6.784 7.738) 10.630 9.785 ( 4.171 5.156 -7.720) 10.177 10.125 ( 4.341 -3.426 9.497) 10.990 10.311 ( 3.517 -3.508 -8.559) 9.896 10.435 ( -0.700 -9.837 2.847) 10.264 10.541 ( -1.936 -6.101 -7.509) 9.867 10.799 ( -4.195 -8.102 3.370) 9.726 10.850 ( -4.469 -11.333 -1.095) 12.231 10.963 ( -5.692 -8.349 2.164) 10.334 11.028 ( -7.398 -7.191 -3.726) 10.969 12.185 ( -5.846 9.024 9.877) 14.600 12.359 ( -8.927 10.395 -8.499) 16.124 12.790 ( -2.912 -7.258 9.813) 12.548 12.978 ( -1.206 -7.127 -9.631) 12.042 13.648 ( -6.654 18.860 11.541) 23.090 13.885 ( -6.217 18.234 -13.192) 23.349 14.562 ( -7.266 -9.829 10.224) 15.936 14.774 ( -7.176 -9.685 -11.955) 16.977 15.509 ( -0.397 3.841 10.709) 11.384 15.576 ( 7.992 4.574 8.530) 12.552 15.805 ( -0.522 2.395 -3.344) 4.146 15.949 ( 10.090 -1.015 -13.455) 16.849 16.691 ( 4.716 -2.311 8.889) 10.325 16.743 ( 6.754 -2.670 5.845) 9.322 16.831 ( 10.561 -2.393 -4.302) 11.652 16.908 ( 0.115 -3.291 -8.218) 8.853 24.567 ( -0.239 0.752 4.757) 4.822 24.664 ( -0.257 0.329 -5.361) 5.377 24.686 ( 0.185 -1.955 3.039) 3.618 24.746 ( 1.010 -1.341 -3.041) 3.474 25.233 ( -3.894 4.441 13.457) 14.696 25.335 ( -1.506 0.547 12.065) 12.171 25.473 ( -5.811 5.638 -10.724) 13.437 25.585 ( -4.351 1.709 -13.245) 14.046 27.236 ( -4.286 0.442 4.314) 6.097 27.313 ( -3.208 0.094 -3.016) 4.405 27.437 ( -3.970 -5.191 2.513) 7.002 27.512 ( -3.641 -5.185 -4.368) 7.696 28.082 ( -0.613 5.433 8.615) 10.204 28.214 ( 0.703 5.689 -4.295) 7.163 28.417 ( 5.356 -2.937 10.083) 11.789 28.661 ( 7.717 -6.694 -14.151) 17.453 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.38 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -1.649 6.645 -0.593) 6.873 1.517 ( 1.210 6.648 -2.867) 7.340 1.809 ( 1.225 -1.906 3.787) 4.413 1.879 ( 0.040 -5.011 -3.416) 6.064 2.032 ( 1.526 4.612 6.213) 7.886 2.156 ( 0.413 3.852 -5.942) 7.094 2.325 ( 1.764 11.556 2.880) 12.039 2.392 ( 1.986 10.008 -3.907) 10.926 2.626 ( 4.758 2.346 7.461) 9.155 2.737 ( 3.246 5.985 -2.129) 7.134 2.876 ( 3.467 1.837 5.736) 6.949 2.994 ( -6.062 3.502 -0.494) 7.018 3.109 ( 0.751 -5.184 -1.550) 5.463 3.186 ( -1.446 -6.351 -5.827) 8.739 3.342 ( -3.234 4.906 8.196) 10.085 3.440 ( 1.260 3.054 -2.332) 4.044 3.625 ( 1.905 -3.330 5.085) 6.370 3.693 ( 2.536 -1.189 -2.438) 3.713 3.715 ( 1.512 -1.298 0.399) 2.032 3.754 ( 3.015 -0.463 -3.341) 4.524 3.869 ( 0.857 -5.167 4.578) 6.956 3.959 ( 3.244 -0.411 -2.817) 4.316 4.023 ( -1.828 -1.669 0.835) 2.612 4.125 ( 2.399 -1.471 -6.912) 7.463 4.262 ( 7.346 6.039 9.313) 13.311 4.411 ( 4.741 3.546 -5.693) 8.214 4.525 ( -0.442 -1.433 3.945) 4.220 4.580 ( 1.564 -0.780 -1.085) 2.057 4.812 ( 7.646 1.620 1.986) 8.064 4.840 ( 4.379 1.256 -0.792) 4.624 4.945 ( 10.168 3.151 3.456) 11.192 5.008 ( 11.993 3.270 -1.791) 12.559 5.151 ( 3.719 -0.033 5.527) 6.662 5.268 ( 5.884 1.465 -6.127) 8.620 5.445 ( 12.666 -0.433 1.442) 12.756 5.509 ( 11.415 -2.004 -5.317) 12.751 6.899 ( -1.166 2.520 5.910) 6.530 7.003 ( -2.403 1.646 -2.191) 3.645 7.066 ( -4.740 -0.385 2.252) 5.262 7.167 ( -4.242 -0.928 -5.778) 7.227 7.422 ( -0.274 6.206 7.330) 9.609 7.501 ( -1.158 -2.488 2.998) 4.065 7.607 ( -2.709 2.287 -5.654) 6.674 7.620 ( -2.359 -2.371 -3.862) 5.109 7.789 ( -2.224 -2.727 0.887) 3.629 7.806 ( -2.057 -2.746 -0.895) 3.545 8.014 ( -0.355 1.110 2.306) 2.584 8.057 ( -0.118 2.005 -2.133) 2.930 8.581 ( -1.108 -2.093 7.121) 7.505 8.716 ( -2.909 -2.530 -6.713) 7.742 8.887 ( -1.081 -5.860 6.635) 8.918 8.927 ( -2.697 7.063 3.890) 8.503 8.983 ( -2.158 -12.446 -2.852) 12.949 9.071 ( -1.513 9.229 -8.079) 12.359 9.682 ( 1.613 7.605 9.472) 12.254 9.857 ( 2.448 5.793 -8.328) 10.436 10.198 ( 2.364 -3.911 9.958) 10.957 10.380 ( 2.795 -6.719 -6.592) 9.819 10.403 ( -1.807 -6.507 0.395) 6.765 10.486 ( -2.759 -8.377 -7.780) 11.760 10.683 ( -5.423 -1.717 5.952) 8.233 10.788 ( -2.179 -6.543 -4.139) 8.043 10.865 ( -3.450 -11.700 1.651) 12.309 10.922 ( -2.108 -17.706 -3.100) 18.099 12.085 ( -3.427 9.765 6.957) 12.470 12.211 ( -4.970 11.229 -6.216) 13.763 12.732 ( -2.239 -8.248 11.321) 14.184 12.950 ( -1.146 -9.641 -11.271) 14.876 13.548 ( -3.089 19.375 11.428) 22.706 13.782 ( -3.526 18.839 -12.954) 23.133 14.455 ( -3.057 -9.154 10.163) 14.015 14.669 ( -2.941 -9.121 -12.298) 15.591 15.480 ( -1.684 6.008 10.737) 12.418 15.657 ( -0.015 9.139 -5.489) 10.661 15.811 ( 1.746 0.726 13.518) 13.650 16.109 ( 4.914 -0.061 -15.246) 16.018 16.720 ( 0.532 -0.690 10.070) 10.108 16.894 ( 1.852 -2.567 -5.759) 6.572 16.925 ( 4.716 -4.767 3.044) 7.365 17.031 ( 6.976 -4.579 -5.557) 10.026 24.562 ( -0.241 0.893 4.577) 4.669 24.659 ( -0.153 0.752 -5.703) 5.754 24.692 ( 0.334 -2.256 4.020) 4.622 24.768 ( 0.949 -1.724 -3.638) 4.136 25.168 ( -2.211 4.476 11.681) 12.703 25.304 ( -1.332 -0.093 10.070) 10.158 25.384 ( -2.416 4.962 -10.199) 11.597 25.495 ( -3.935 0.866 -9.978) 10.761 27.166 ( -2.342 0.536 4.889) 5.448 27.263 ( -1.650 0.270 -4.899) 5.176 27.363 ( -2.691 -5.229 3.754) 6.977 27.446 ( -2.306 -4.770 -4.500) 6.952 28.069 ( -0.450 7.481 7.593) 10.669 28.200 ( -1.103 7.777 -6.042) 9.909 28.520 ( 3.780 -4.178 13.283) 14.429 28.790 ( 4.240 -8.890 -14.687) 17.684 ======================= Grid point 148 (55/60) ======================= q-point: (-0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.000 6.313 0.803) 6.364 1.536 ( -0.000 6.282 -4.915) 7.976 1.815 ( 0.000 -3.136 2.964) 4.315 1.873 ( 0.000 -6.083 -3.253) 6.899 2.049 ( 0.000 3.033 5.933) 6.664 2.166 ( 0.000 3.059 -5.669) 6.441 2.336 ( -0.000 9.899 3.269) 10.425 2.409 ( -0.000 8.912 -4.059) 9.793 2.739 ( -0.000 0.693 7.765) 7.796 2.813 ( -0.000 14.485 2.691) 14.733 2.830 ( 0.000 2.413 6.594) 7.022 2.933 ( 0.000 -0.688 -4.085) 4.142 3.096 ( -0.000 -10.043 -0.988) 10.091 3.181 ( 0.000 0.270 -7.388) 7.393 3.305 ( 0.000 5.779 10.164) 11.692 3.450 ( 0.000 3.239 -4.350) 5.423 3.640 ( 0.000 -3.964 5.448) 6.738 3.723 ( 0.000 -0.526 0.512) 0.734 3.733 ( 0.000 -1.552 -3.204) 3.560 3.781 ( 0.000 0.025 -3.838) 3.838 3.888 ( 0.000 -4.304 1.757) 4.649 3.975 ( 0.000 -2.469 -5.951) 6.443 3.996 ( 0.000 -1.119 6.558) 6.653 4.130 ( 0.000 -0.859 -6.848) 6.901 4.399 ( -0.000 4.072 9.338) 10.187 4.457 ( 0.000 -1.697 5.493) 5.750 4.534 ( 0.000 -1.255 -2.596) 2.883 4.546 ( 0.000 2.567 -6.003) 6.529 4.856 ( 0.000 1.302 1.297) 1.838 4.886 ( 0.000 1.465 -1.821) 2.337 5.109 ( 0.000 -1.476 4.598) 4.829 5.166 ( 0.000 -2.488 -1.412) 2.861 5.181 ( -0.000 7.553 8.628) 11.467 5.347 ( 0.000 6.344 -8.517) 10.620 5.599 ( 0.000 0.116 0.635) 0.645 5.645 ( 0.000 -0.260 -4.450) 4.457 6.891 ( 0.000 0.405 5.125) 5.141 6.990 ( 0.000 -0.893 6.722) 6.781 6.996 ( -0.000 0.488 -5.662) 5.683 7.115 ( 0.000 -0.764 -6.439) 6.484 7.422 ( 0.000 7.364 7.744) 10.686 7.489 ( 0.000 -4.102 5.926) 7.208 7.576 ( -0.000 3.771 -7.989) 8.834 7.591 ( 0.000 -4.579 -4.885) 6.696 7.765 ( 0.000 -2.252 1.021) 2.472 7.783 ( 0.000 -2.162 -0.940) 2.358 8.006 ( 0.000 0.091 2.725) 2.726 8.055 ( 0.000 0.332 -2.392) 2.415 8.562 ( 0.000 -0.673 5.740) 5.780 8.670 ( 0.000 -1.330 -5.482) 5.641 8.869 ( 0.000 -12.643 4.800) 13.523 8.903 ( 0.000 14.072 7.800) 16.089 8.959 ( 0.000 -12.298 -4.601) 13.131 9.056 ( 0.000 11.429 -8.077) 13.994 9.698 ( 0.000 7.464 9.999) 12.478 9.883 ( 0.000 5.682 -8.772) 10.452 10.221 ( 0.000 -4.122 10.565) 11.340 10.380 ( 0.000 -7.091 0.746) 7.131 10.424 ( -0.000 -10.902 -4.002) 11.613 10.440 ( 0.000 -4.313 -11.816) 12.579 10.623 ( 0.000 0.182 6.943) 6.946 10.758 ( 0.000 -0.518 -7.101) 7.120 10.835 ( 0.000 -16.464 4.093) 16.965 10.905 ( 0.000 -21.577 -3.174) 21.809 12.048 ( 0.000 9.816 5.940) 11.473 12.158 ( 0.000 11.215 -5.486) 12.485 12.707 ( 0.000 -8.688 11.859) 14.701 12.937 ( 0.000 -10.868 -12.010) 16.197 13.516 ( 0.000 19.873 11.240) 22.831 13.744 ( 0.000 19.452 -12.495) 23.119 14.425 ( 0.000 -8.922 10.183) 13.539 14.641 ( -0.000 -9.021 -12.441) 15.368 15.459 ( 0.000 6.735 10.327) 12.329 15.646 ( 0.000 11.113 -9.126) 14.380 15.836 ( 0.000 -0.558 18.174) 18.183 16.159 ( 0.000 -0.042 -15.444) 15.444 16.726 ( 0.000 0.122 9.705) 9.706 16.901 ( 0.000 -1.153 -8.439) 8.518 16.990 ( 0.000 -6.049 6.166) 8.638 17.106 ( 0.000 -5.192 -5.848) 7.820 24.559 ( -0.000 0.958 4.507) 4.608 24.658 ( -0.000 0.913 -5.960) 6.030 24.696 ( 0.000 -2.423 4.537) 5.143 24.779 ( 0.000 -1.905 -3.858) 4.303 25.144 ( 0.000 4.382 11.231) 12.056 25.288 ( 0.000 -0.324 9.100) 9.105 25.364 ( 0.000 4.369 -11.360) 12.172 25.446 ( -0.000 0.765 -7.481) 7.520 27.141 ( 0.000 0.551 5.052) 5.082 27.244 ( 0.000 0.447 -5.834) 5.851 27.334 ( -0.000 -5.278 4.548) 6.967 27.421 ( 0.000 -4.549 -4.525) 6.416 28.065 ( 0.000 8.231 7.031) 10.825 28.187 ( 0.000 8.659 -5.730) 10.383 28.560 ( 0.000 -4.730 13.618) 14.416 28.835 ( 0.000 -9.581 -14.740) 17.580 ======================= Grid point 153 (56/60) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 0.000 1.864 8.851) 9.045 1.672 ( 0.000 -1.850 4.175) 4.567 1.778 ( 0.000 1.053 -6.371) 6.457 1.816 ( 0.000 -2.810 -10.306) 10.682 2.044 ( 0.000 19.631 9.466) 21.794 2.258 ( 0.000 16.895 -12.303) 20.900 2.387 ( 0.000 -5.237 6.649) 8.463 2.498 ( 0.000 10.151 -3.981) 10.904 2.584 ( 0.000 4.925 -0.733) 4.979 2.645 ( 0.000 -5.415 -8.011) 9.669 2.787 ( 0.000 -4.025 -0.124) 4.026 2.806 ( 0.000 -6.382 -2.065) 6.707 2.955 ( 0.000 3.865 1.203) 4.048 2.980 ( 0.000 4.527 -0.817) 4.600 3.094 ( 0.000 -10.623 0.853) 10.657 3.118 ( 0.000 -10.725 -1.241) 10.797 3.444 ( 0.000 3.219 10.012) 10.517 3.484 ( 0.000 -1.982 9.032) 9.247 3.560 ( 0.000 9.614 -0.190) 9.616 3.604 ( 0.000 0.179 -2.635) 2.641 3.741 ( 0.000 6.168 5.604) 8.334 3.886 ( 0.000 8.665 -7.197) 11.264 3.907 ( 0.000 -2.713 4.742) 5.463 3.991 ( 0.000 -1.241 -3.815) 4.011 4.060 ( 0.000 2.127 4.824) 5.272 4.112 ( 0.000 -4.843 8.650) 9.914 4.156 ( 0.000 1.359 -2.216) 2.599 4.281 ( 0.000 -8.734 -6.853) 11.102 4.367 ( 0.000 2.715 13.790) 14.055 4.468 ( 0.000 -6.285 8.648) 10.690 4.647 ( 0.000 -0.152 -13.923) 13.924 4.653 ( 0.000 -0.622 -9.675) 9.694 5.062 ( 0.000 3.025 1.723) 3.481 5.093 ( 0.000 3.293 -1.437) 3.593 5.121 ( 0.000 -2.215 2.310) 3.201 5.153 ( 0.000 -1.978 -0.947) 2.193 7.231 ( 0.000 2.467 7.483) 7.879 7.280 ( 0.000 -1.217 10.798) 10.866 7.340 ( 0.000 4.675 -2.885) 5.494 7.436 ( 0.000 2.815 7.101) 7.639 7.436 ( 0.000 -2.201 -4.531) 5.038 7.528 ( 0.000 -8.247 7.126) 10.899 7.619 ( 0.000 4.345 -10.845) 11.683 7.713 ( 0.000 -5.173 -11.027) 12.180 7.961 ( 0.000 4.592 2.731) 5.342 8.022 ( 0.000 6.009 -3.698) 7.055 8.045 ( 0.000 -2.715 4.244) 5.038 8.146 ( 0.000 -5.160 -6.607) 8.383 8.522 ( 0.000 4.595 3.384) 5.707 8.586 ( 0.000 4.546 -3.255) 5.591 8.664 ( 0.000 -9.429 3.532) 10.069 8.728 ( 0.000 -9.823 -3.127) 10.309 9.387 ( 0.000 17.151 1.910) 17.257 9.425 ( 0.000 15.112 -2.293) 15.285 9.613 ( 0.000 -1.434 1.243) 1.898 9.645 ( 0.000 -6.058 -2.384) 6.511 9.936 ( 0.000 -0.658 13.300) 13.316 10.085 ( 0.000 -15.666 11.968) 19.715 10.218 ( 0.000 1.237 -15.743) 15.791 10.334 ( 0.000 -10.340 -13.713) 17.175 10.905 ( 0.000 3.253 2.983) 4.414 10.944 ( 0.000 3.430 -1.275) 3.659 11.009 ( 0.000 -6.079 4.112) 7.339 11.067 ( 0.000 -7.487 -2.155) 7.791 12.536 ( 0.000 8.832 14.003) 16.556 12.705 ( 0.000 -6.975 10.579) 12.672 12.808 ( 0.000 5.800 -14.536) 15.651 12.912 ( 0.000 -3.904 -10.915) 11.592 14.294 ( 0.000 15.074 11.782) 19.132 14.516 ( 0.000 15.459 -11.637) 19.350 14.585 ( 0.000 -12.969 11.142) 17.098 14.801 ( 0.000 -11.976 -11.277) 16.449 15.349 ( 0.000 1.436 8.427) 8.548 15.390 ( 0.000 -3.021 11.837) 12.216 15.514 ( 0.000 4.062 -8.743) 9.641 15.606 ( 0.000 -4.897 -10.856) 11.910 16.522 ( 0.000 5.061 7.431) 8.991 16.629 ( 0.000 -4.980 9.500) 10.726 16.657 ( 0.000 7.145 -6.622) 9.742 16.799 ( 0.000 -6.255 -8.219) 10.329 24.597 ( 0.000 1.803 3.875) 4.274 24.642 ( 0.000 -2.338 2.982) 3.789 24.675 ( 0.000 0.880 -4.323) 4.411 24.700 ( 0.000 -1.389 -3.195) 3.484 25.393 ( 0.000 1.229 16.149) 16.195 25.404 ( 0.000 0.415 18.795) 18.800 25.703 ( 0.000 3.855 -16.168) 16.622 25.767 ( 0.000 -1.795 -19.235) 19.318 27.397 ( 0.000 -0.253 4.542) 4.549 27.420 ( 0.000 -2.281 5.277) 5.749 27.480 ( 0.000 0.521 -4.058) 4.092 27.515 ( 0.000 -2.696 -4.724) 5.439 28.129 ( 0.000 2.975 8.511) 9.016 28.164 ( 0.000 -0.941 12.635) 12.670 28.287 ( 0.000 6.087 -7.924) 9.992 28.395 ( 0.000 -4.695 -11.448) 12.374 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.12 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.127 3.525 6.646) 7.524 1.694 ( 1.749 -2.369 3.382) 4.484 1.774 ( -3.100 0.559 -7.955) 8.556 1.786 ( 0.216 -0.576 -5.610) 5.644 2.121 ( 4.904 17.215 7.519) 19.415 2.289 ( 1.334 13.558 -9.315) 16.503 2.458 ( 4.004 -9.844 5.204) 11.832 2.520 ( 1.082 9.258 -1.265) 9.407 2.558 ( -2.012 7.250 -0.788) 7.565 2.621 ( -0.517 -1.433 -7.149) 7.309 2.799 ( 0.766 -5.681 -0.251) 5.738 2.822 ( 3.710 -6.359 -2.841) 7.891 3.027 ( 5.756 3.820 0.986) 6.978 3.044 ( 5.601 3.015 -0.371) 6.372 3.155 ( 6.034 -7.811 0.796) 9.902 3.182 ( 6.221 -8.968 -1.577) 11.027 3.498 ( 4.902 1.358 8.645) 10.030 3.519 ( 1.847 -0.430 7.583) 7.817 3.584 ( 1.258 3.808 1.163) 4.176 3.630 ( 3.737 -0.391 -3.817) 5.356 3.773 ( 2.411 9.949 7.368) 12.612 3.904 ( 0.406 4.828 -0.732) 4.900 3.955 ( 3.158 1.031 -0.369) 3.342 4.033 ( 3.085 -2.028 -4.108) 5.523 4.123 ( 6.323 1.885 4.042) 7.738 4.197 ( 5.780 1.500 -0.411) 5.986 4.202 ( 7.127 -4.464 5.339) 9.961 4.344 ( 6.332 -9.100 -6.937) 13.077 4.394 ( 3.905 5.622 10.656) 12.665 4.530 ( 6.083 -6.707 8.515) 12.429 4.621 ( -0.223 4.032 -11.023) 11.740 4.707 ( 3.851 -3.489 -9.506) 10.834 5.057 ( 0.144 4.179 2.055) 4.659 5.089 ( 0.102 3.808 -1.106) 3.967 5.139 ( 1.559 -3.020 1.668) 3.786 5.167 ( 1.266 -3.166 -1.138) 3.595 7.180 ( -6.234 2.212 9.583) 11.644 7.189 ( -3.663 0.824 7.625) 8.499 7.321 ( -2.560 1.870 -5.016) 5.934 7.362 ( -6.021 -0.397 -7.622) 9.721 7.488 ( 2.643 1.596 7.768) 8.359 7.530 ( 0.039 -3.163 6.760) 7.464 7.651 ( 0.907 -0.050 -7.074) 7.132 7.704 ( -1.503 -4.446 -9.402) 10.508 7.922 ( -2.989 5.025 2.093) 6.210 7.966 ( -3.480 5.649 -1.953) 6.916 8.028 ( -1.897 -2.393 1.925) 3.610 8.094 ( -2.977 -3.830 -4.441) 6.577 8.542 ( 1.425 3.318 4.536) 5.798 8.626 ( 2.491 0.461 -3.219) 4.096 8.680 ( 1.358 -8.561 2.026) 8.902 8.740 ( 0.955 -9.220 -3.369) 9.863 9.391 ( 0.063 19.026 2.372) 19.174 9.438 ( 0.891 16.534 -2.742) 16.784 9.649 ( 3.244 -0.871 1.975) 3.897 9.689 ( 3.835 -6.853 -2.501) 8.242 9.964 ( 2.449 -2.302 12.454) 12.899 10.080 ( -0.697 -15.516 11.474) 19.310 10.228 ( 1.090 -0.284 -14.370) 14.414 10.328 ( -0.819 -10.850 -13.704) 17.498 10.857 ( -4.298 3.156 3.214) 6.226 10.894 ( -4.305 3.012 -0.347) 5.265 10.965 ( -4.105 -5.246 2.876) 7.255 11.020 ( -4.249 -6.980 -2.572) 8.567 12.493 ( -3.731 9.638 12.631) 16.321 12.671 ( -3.159 -5.171 8.205) 10.200 12.747 ( -5.271 5.026 -10.663) 12.913 12.883 ( -2.774 -5.999 -10.663) 12.545 14.179 ( -8.547 15.841 11.220) 21.211 14.396 ( -8.553 14.657 -10.396) 19.902 14.489 ( -7.892 -12.329 9.273) 17.329 14.701 ( -8.005 -13.187 -11.841) 19.446 15.449 ( 8.648 2.493 11.204) 14.371 15.483 ( 6.591 -0.644 12.513) 14.158 15.672 ( 12.224 2.137 -10.080) 15.987 15.733 ( 8.664 -3.348 -11.816) 15.029 16.562 ( 3.839 3.377 7.144) 8.785 16.642 ( 1.308 -3.877 9.004) 9.890 16.692 ( 3.530 5.095 -6.118) 8.710 16.808 ( 0.880 -5.523 -7.983) 9.747 24.596 ( -0.071 1.788 4.001) 4.382 24.640 ( -0.095 -2.310 3.159) 3.915 24.677 ( 0.168 0.945 -4.476) 4.578 24.703 ( 0.303 -1.434 -3.458) 3.756 25.370 ( -2.313 1.476 16.150) 16.381 25.381 ( -1.767 0.360 16.537) 16.635 25.665 ( -3.569 3.251 -15.077) 15.831 25.711 ( -4.725 -0.830 -17.394) 18.044 27.345 ( -4.076 0.958 4.627) 6.240 27.380 ( -3.506 -1.811 4.422) 5.927 27.441 ( -3.162 -0.226 -3.758) 4.917 27.483 ( -2.960 -3.624 -4.646) 6.594 28.161 ( 2.293 3.444 9.324) 10.201 28.208 ( 4.157 -0.502 10.549) 11.350 28.333 ( 3.234 4.274 -7.584) 9.287 28.429 ( 3.311 -4.527 -10.963) 12.315 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.25 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.277 5.333 1.900) 5.668 1.695 ( -3.737 5.156 -4.060) 7.553 1.731 ( 1.377 -3.391 1.645) 4.012 1.787 ( -0.522 -3.852 -3.936) 5.532 2.183 ( 1.085 12.381 5.190) 13.469 2.291 ( -0.614 8.961 -5.273) 10.415 2.441 ( -2.488 -8.988 1.819) 9.502 2.491 ( -2.042 -3.333 -2.986) 4.919 2.615 ( 4.657 11.544 1.195) 12.505 2.662 ( 3.367 7.105 -3.822) 8.742 2.843 ( 2.185 -6.624 2.175) 7.306 2.893 ( 2.018 -11.060 -3.125) 11.669 3.132 ( 4.177 8.819 3.636) 10.414 3.185 ( 6.426 6.232 -2.097) 9.193 3.317 ( 6.963 -5.404 1.290) 8.908 3.340 ( 7.219 -8.242 -0.517) 10.969 3.539 ( 0.673 2.591 8.519) 8.930 3.598 ( 2.528 -3.167 5.567) 6.886 3.638 ( 4.732 1.915 -1.161) 5.235 3.686 ( 1.030 -1.839 -1.738) 2.732 3.858 ( 3.552 4.959 4.864) 7.801 3.891 ( 0.555 2.254 3.429) 4.141 4.027 ( 3.215 0.962 -5.803) 6.704 4.049 ( -1.194 -1.710 -6.843) 7.154 4.263 ( 6.030 4.634 7.613) 10.761 4.365 ( 8.130 3.026 -1.872) 8.875 4.390 ( 7.653 -5.672 4.616) 10.585 4.463 ( 5.164 -2.511 -0.612) 5.774 4.627 ( 15.879 3.773 -0.088) 16.321 4.695 ( 9.001 7.321 -5.169) 12.702 4.737 ( 12.482 -4.831 4.147) 14.012 4.827 ( 7.494 -3.984 -4.934) 9.818 5.093 ( 3.711 4.390 3.204) 6.581 5.132 ( 5.415 2.798 -0.459) 6.112 5.198 ( 4.799 -3.500 0.521) 5.962 5.225 ( 5.644 -4.218 -2.119) 7.357 7.053 ( -5.486 3.713 8.101) 10.464 7.102 ( -4.540 -0.904 6.924) 8.329 7.220 ( -6.932 2.100 -7.933) 10.742 7.245 ( -4.685 -0.506 -6.574) 8.088 7.497 ( -1.794 0.789 5.702) 6.029 7.506 ( -2.018 -0.742 4.853) 5.308 7.621 ( -3.272 -2.788 -3.875) 5.788 7.639 ( -4.142 -4.226 -5.572) 8.128 7.869 ( -1.747 6.158 2.347) 6.818 7.921 ( -0.843 7.462 -3.091) 8.121 8.001 ( -0.371 -3.639 2.547) 4.457 8.064 ( -0.327 -3.751 -3.826) 5.368 8.564 ( 0.411 1.880 5.885) 6.191 8.651 ( -0.017 -4.478 0.792) 4.547 8.705 ( 0.256 -5.563 -2.521) 6.113 8.754 ( 0.111 -8.217 -3.940) 9.114 9.380 ( -1.061 22.604 3.512) 22.899 9.449 ( 0.044 20.035 -3.865) 20.404 9.734 ( 4.398 -1.165 3.065) 5.486 9.784 ( 4.632 -9.243 -2.467) 10.629 10.022 ( 2.685 -5.567 11.477) 13.035 10.048 ( -2.376 -15.271 10.495) 18.681 10.257 ( 1.012 -3.789 -12.295) 12.905 10.294 ( -2.053 -9.845 -13.565) 16.886 10.751 ( -5.061 1.847 3.777) 6.579 10.785 ( -5.671 1.384 1.837) 6.120 10.853 ( -5.857 -2.851 0.004) 6.515 10.904 ( -6.275 -5.226 -3.665) 8.951 12.399 ( -4.826 10.781 10.059) 15.515 12.577 ( -5.597 5.799 -3.152) 8.654 12.626 ( -5.316 -4.328 3.014) 7.489 12.805 ( -4.282 -9.427 -10.138) 14.491 14.015 ( -6.352 16.293 10.955) 20.636 14.237 ( -6.033 14.975 -11.507) 19.826 14.324 ( -6.706 -12.370 9.389) 16.915 14.539 ( -6.480 -12.931 -12.267) 18.965 15.591 ( 3.130 3.591 14.263) 15.037 15.632 ( 7.453 0.240 14.457) 16.267 15.864 ( 3.832 3.181 -12.187) 13.165 15.921 ( 9.413 -1.997 -13.647) 16.699 16.667 ( 4.607 0.140 8.047) 9.273 16.693 ( 4.499 -2.081 7.377) 8.887 16.804 ( 6.581 0.196 -6.116) 8.987 16.840 ( 2.238 -2.929 -7.319) 8.194 24.594 ( -0.124 1.822 4.276) 4.650 24.639 ( -0.013 -2.342 3.676) 4.359 24.681 ( 0.212 1.229 -4.856) 5.014 24.713 ( 0.613 -1.706 -4.076) 4.461 25.307 ( -3.255 2.491 14.119) 14.702 25.337 ( -2.337 -0.522 13.546) 13.756 25.563 ( -5.499 3.090 -12.591) 14.083 25.601 ( -5.337 -0.473 -13.816) 14.819 27.256 ( -3.978 1.711 4.844) 6.498 27.303 ( -3.353 -1.910 3.919) 5.500 27.363 ( -3.886 -0.422 -3.987) 5.584 27.410 ( -3.493 -4.055 -4.879) 7.242 28.208 ( 2.026 6.216 8.951) 11.084 28.309 ( 4.705 -1.315 7.853) 9.249 28.384 ( 1.610 3.990 -5.776) 7.203 28.520 ( 4.530 -6.971 -10.319) 13.251 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.38 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -1.726 6.439 -1.035) 6.746 1.644 ( 0.230 5.487 -2.313) 5.959 1.745 ( -0.011 -4.112 -0.487) 4.140 1.764 ( -1.456 -5.883 -2.236) 6.460 2.187 ( -0.168 9.866 5.047) 11.083 2.289 ( 0.476 8.727 -4.834) 9.987 2.405 ( -0.958 -7.936 3.279) 8.640 2.475 ( 0.027 -3.958 -3.780) 5.473 2.697 ( 3.380 8.503 1.199) 9.228 2.743 ( 4.140 3.458 -3.621) 6.497 2.858 ( -0.758 -5.492 1.948) 5.877 2.902 ( -0.974 -9.419 -2.834) 9.884 3.208 ( 3.084 13.548 6.289) 15.252 3.281 ( 2.834 6.881 -1.337) 7.560 3.379 ( -0.386 -0.874 5.745) 5.824 3.449 ( 3.305 -5.468 -2.021) 6.701 3.562 ( 1.174 -0.489 8.402) 8.498 3.616 ( 0.002 -4.917 5.405) 7.306 3.706 ( 1.081 0.373 -3.081) 3.287 3.728 ( 2.511 -1.479 -3.503) 4.556 3.864 ( 0.902 3.762 3.866) 5.469 3.950 ( 1.144 -3.243 3.494) 4.903 4.011 ( -1.223 2.697 -8.694) 9.185 4.078 ( 1.143 -2.988 -7.651) 8.293 4.372 ( 4.332 4.746 7.658) 9.997 4.456 ( 1.250 -1.784 4.744) 5.220 4.493 ( 3.203 1.129 -2.866) 4.444 4.548 ( 2.057 -2.471 -2.567) 4.114 4.877 ( 4.616 3.793 0.365) 5.985 4.896 ( 6.526 4.827 -1.618) 8.277 4.955 ( 7.574 -2.721 2.239) 8.354 4.999 ( 7.407 -3.970 -2.390) 8.737 5.228 ( 9.400 7.314 6.295) 13.471 5.333 ( 11.868 5.047 -4.389) 13.622 5.381 ( 12.060 -5.575 3.338) 13.699 5.448 ( 13.223 -4.466 -3.554) 14.403 6.958 ( -3.406 2.970 6.036) 7.540 7.010 ( -3.905 -1.522 6.091) 7.394 7.087 ( -5.197 2.575 -6.655) 8.828 7.140 ( -4.736 -1.946 -6.760) 8.480 7.451 ( -1.984 -0.465 4.556) 4.991 7.465 ( -1.284 -1.274 3.961) 4.354 7.551 ( -2.887 -2.957 -3.520) 5.428 7.561 ( -2.775 -4.053 -3.640) 6.114 7.843 ( -0.954 7.820 3.009) 8.433 7.907 ( -0.779 8.469 -3.712) 9.280 7.990 ( -1.025 -4.231 2.877) 5.219 8.050 ( -1.271 -3.721 -3.273) 5.116 8.559 ( -0.609 1.210 5.698) 5.857 8.641 ( -0.469 -4.821 1.862) 5.189 8.680 ( -2.094 -3.829 -2.308) 4.937 8.746 ( -0.629 -7.948 -4.577) 9.193 9.356 ( -0.998 25.233 4.531) 25.656 9.444 ( -0.256 22.515 -4.826) 23.028 9.814 ( 2.850 -1.509 3.881) 5.047 9.865 ( 2.805 -12.533 -2.192) 13.029 9.991 ( -2.469 -16.180 9.612) 18.981 10.064 ( 1.188 -8.025 10.908) 13.594 10.218 ( -2.845 -5.226 -12.368) 13.725 10.294 ( 0.536 -7.414 -12.172) 14.262 10.669 ( -2.952 -0.674 4.626) 5.529 10.678 ( -3.562 -0.850 4.477) 5.784 10.755 ( -3.134 -0.320 -3.332) 4.586 10.788 ( -4.195 -2.563 -5.122) 7.100 12.310 ( -3.232 11.298 8.074) 14.257 12.466 ( -4.246 12.366 -7.712) 15.180 12.538 ( -3.024 -10.004 9.004) 13.795 12.724 ( -3.059 -11.845 -9.865) 15.715 13.921 ( -2.711 16.414 10.779) 19.823 14.144 ( -2.898 15.898 -12.459) 20.406 14.226 ( -2.776 -12.797 10.242) 16.624 14.443 ( -2.804 -12.693 -12.376) 17.948 15.621 ( 0.225 7.054 14.842) 16.435 15.741 ( 3.074 -3.461 16.549) 17.184 15.895 ( -0.023 8.974 -12.704) 15.554 16.057 ( 3.685 -5.436 -15.271) 16.623 16.733 ( 2.380 2.236 8.500) 9.106 16.809 ( 4.735 -4.700 6.997) 9.668 16.886 ( 2.200 0.815 -7.232) 7.603 16.939 ( 5.066 -3.883 -6.335) 8.993 24.592 ( -0.096 1.977 4.529) 4.942 24.640 ( 0.106 -2.550 4.323) 5.020 24.685 ( 0.163 1.661 -5.297) 5.553 24.726 ( 0.566 -2.160 -4.640) 5.149 25.248 ( -2.143 3.043 11.926) 12.493 25.291 ( -1.786 -1.225 11.186) 11.394 25.466 ( -3.293 2.822 -10.621) 11.472 25.500 ( -3.911 -0.567 -10.722) 11.427 27.190 ( -2.246 1.963 5.009) 5.829 27.249 ( -1.700 -3.243 4.358) 5.692 27.294 ( -2.485 0.893 -4.805) 5.483 27.351 ( -2.024 -3.996 -5.114) 6.798 28.241 ( 1.101 8.541 7.991) 11.748 28.380 ( 1.711 5.885 -2.109) 6.482 28.413 ( 1.451 -2.853 4.532) 5.548 28.595 ( 2.465 -9.804 -10.015) 14.230 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.000 6.360 -0.121) 6.361 1.650 ( 0.000 4.876 -4.009) 6.313 1.738 ( 0.000 -4.617 -0.842) 4.693 1.748 ( 0.000 -5.497 -1.838) 5.796 2.186 ( 0.000 9.539 5.389) 10.956 2.297 ( 0.000 9.227 -6.118) 11.071 2.395 ( 0.000 -7.717 4.907) 9.145 2.477 ( 0.000 -4.048 -4.049) 5.726 2.743 ( -0.000 4.963 1.937) 5.328 2.810 ( -0.000 -2.507 -4.983) 5.578 2.833 ( 0.000 -2.243 1.879) 2.926 2.875 ( 0.000 -4.761 -2.450) 5.355 3.248 ( -0.000 15.838 6.370) 17.071 3.311 ( -0.000 6.462 -0.267) 6.467 3.361 ( 0.000 0.547 9.193) 9.209 3.485 ( 0.000 -2.662 -4.306) 5.063 3.573 ( 0.000 -1.777 6.412) 6.654 3.615 ( 0.000 -8.147 8.155) 11.527 3.719 ( 0.000 0.478 -6.167) 6.185 3.749 ( 0.000 -1.161 -1.615) 1.989 3.886 ( -0.000 1.897 -0.543) 1.973 3.952 ( 0.000 -3.196 5.518) 6.377 3.999 ( 0.000 4.554 -8.144) 9.331 4.088 ( 0.000 -3.278 -7.291) 7.994 4.442 ( 0.000 -0.025 6.244) 6.244 4.443 ( -0.000 0.407 7.620) 7.630 4.534 ( 0.000 0.916 -3.507) 3.625 4.558 ( 0.000 -0.923 -4.368) 4.464 4.918 ( 0.000 4.531 1.415) 4.747 4.953 ( 0.000 4.960 -2.244) 5.444 5.027 ( 0.000 -5.368 2.604) 5.966 5.072 ( 0.000 -5.891 -2.242) 6.303 5.366 ( 0.000 9.446 7.395) 11.997 5.495 ( 0.000 7.174 -6.117) 9.427 5.536 ( 0.000 -6.163 4.463) 7.609 5.613 ( 0.000 -3.608 -3.761) 5.212 6.920 ( 0.000 2.084 5.026) 5.441 6.963 ( -0.000 -1.768 5.897) 6.156 7.028 ( 0.000 2.435 -6.136) 6.601 7.082 ( 0.000 -2.369 -6.627) 7.038 7.429 ( 0.000 -1.078 4.801) 4.920 7.454 ( -0.000 -2.682 4.436) 5.184 7.516 ( 0.000 -1.954 -4.391) 4.806 7.532 ( -0.000 -3.526 -3.718) 5.124 7.831 ( 0.000 7.973 3.101) 8.555 7.896 ( 0.000 8.503 -3.815) 9.320 7.972 ( 0.000 -4.175 3.067) 5.181 8.029 ( 0.000 -3.585 -2.874) 4.594 8.551 ( 0.000 1.159 5.235) 5.362 8.643 ( -0.000 -8.114 5.021) 9.542 8.646 ( 0.000 0.910 -4.604) 4.693 8.738 ( 0.000 -8.105 -4.782) 9.411 9.345 ( 0.000 26.036 4.962) 26.504 9.442 ( 0.000 23.147 -5.215) 23.727 9.844 ( 0.000 -0.489 4.506) 4.533 9.894 ( 0.000 -13.925 -2.145) 14.089 9.964 ( 0.000 -18.291 8.821) 20.307 10.075 ( 0.000 -8.945 10.911) 14.109 10.185 ( 0.000 -3.147 -12.356) 12.750 10.297 ( 0.000 -8.199 -11.747) 14.325 10.629 ( 0.000 0.218 5.914) 5.918 10.650 ( 0.000 -3.221 3.980) 5.120 10.722 ( 0.000 0.031 -3.757) 3.758 10.743 ( 0.000 -1.136 -6.133) 6.237 12.275 ( 0.000 11.410 7.345) 13.570 12.419 ( 0.000 13.198 -7.568) 15.214 12.505 ( 0.000 -10.611 9.311) 14.117 12.690 ( 0.000 -12.711 -9.793) 16.046 13.894 ( 0.000 16.514 10.643) 19.646 14.114 ( 0.000 16.207 -12.352) 20.377 14.199 ( 0.000 -12.825 10.283) 16.439 14.415 ( 0.000 -12.734 -12.334) 17.728 15.620 ( 0.000 8.227 14.898) 17.019 15.772 ( 0.000 -5.652 17.745) 18.624 15.891 ( 0.000 11.676 -13.367) 17.748 16.092 ( 0.000 -6.845 -15.736) 17.161 16.760 ( 0.000 3.419 8.473) 9.137 16.861 ( 0.000 -5.937 7.305) 9.413 16.912 ( 0.000 2.474 -7.284) 7.693 16.995 ( 0.000 -5.106 -6.575) 8.325 24.591 ( 0.000 2.079 4.638) 5.082 24.642 ( 0.000 -2.696 4.633) 5.360 24.687 ( 0.000 1.883 -5.504) 5.817 24.733 ( 0.000 -2.389 -4.863) 5.418 25.225 ( 0.000 3.133 11.155) 11.587 25.271 ( 0.000 -1.423 10.180) 10.279 25.433 ( 0.000 2.138 -10.484) 10.699 25.455 ( -0.000 -0.125 -8.973) 8.973 27.166 ( 0.000 2.076 5.038) 5.449 27.232 ( 0.000 -4.244 4.963) 6.530 27.267 ( 0.000 1.947 -5.508) 5.842 27.329 ( 0.000 -3.971 -5.167) 6.517 28.253 ( 0.000 9.374 7.558) 12.041 28.393 ( 0.000 10.841 -7.006) 12.908 28.433 ( 0.000 -7.588 9.630) 12.260 28.621 ( 0.000 -10.838 -9.862) 14.654 =================== 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 3/26880 10.0 695.651 825.233 986.177 0.000 0.000 0.000 3/26880 20.0 101.343 148.018 126.478 0.000 0.000 0.000 3/26880 30.0 38.053 59.544 46.334 0.000 0.000 0.000 3/26880 40.0 21.485 34.304 25.770 0.000 0.000 0.000 3/26880 50.0 14.854 23.623 17.504 0.000 0.000 0.000 3/26880 60.0 11.403 17.912 13.207 0.000 0.000 0.000 3/26880 70.0 9.277 14.392 10.596 0.000 0.000 0.000 3/26880 80.0 7.826 12.020 8.847 0.000 0.000 0.000 3/26880 90.0 6.767 10.322 7.597 0.000 0.000 0.000 3/26880 100.0 5.961 9.053 6.663 0.000 0.000 0.000 3/26880 110.0 5.327 8.072 5.942 0.000 0.000 0.000 3/26880 120.0 4.816 7.292 5.369 0.000 0.000 0.000 3/26880 130.0 4.397 6.658 4.903 0.000 0.000 0.000 3/26880 140.0 4.047 6.131 4.518 0.000 0.000 0.000 3/26880 150.0 3.750 5.688 4.194 0.000 0.000 0.000 3/26880 160.0 3.495 5.308 3.917 0.000 0.000 0.000 3/26880 170.0 3.274 4.979 3.679 0.000 0.000 0.000 3/26880 180.0 3.080 4.691 3.470 0.000 0.000 0.000 3/26880 190.0 2.909 4.437 3.287 0.000 0.000 0.000 3/26880 200.0 2.757 4.210 3.123 0.000 0.000 0.000 3/26880 210.0 2.620 4.006 2.977 0.000 0.000 0.000 3/26880 220.0 2.497 3.823 2.845 0.000 0.000 0.000 3/26880 230.0 2.386 3.656 2.725 0.000 0.000 0.000 3/26880 240.0 2.284 3.503 2.616 0.000 0.000 0.000 3/26880 250.0 2.191 3.364 2.516 0.000 0.000 0.000 3/26880 260.0 2.106 3.235 2.424 0.000 0.000 0.000 3/26880 270.0 2.027 3.116 2.339 0.000 0.000 0.000 3/26880 280.0 1.954 3.006 2.261 0.000 0.000 0.000 3/26880 290.0 1.886 2.904 2.187 0.000 0.000 0.000 3/26880 300.0 1.823 2.808 2.119 0.000 0.000 0.000 3/26880 310.0 1.764 2.719 2.055 0.000 0.000 0.000 3/26880 320.0 1.709 2.636 1.995 0.000 0.000 0.000 3/26880 330.0 1.657 2.557 1.938 0.000 0.000 0.000 3/26880 340.0 1.609 2.483 1.885 0.000 0.000 0.000 3/26880 350.0 1.563 2.413 1.835 0.000 0.000 0.000 3/26880 360.0 1.520 2.348 1.787 0.000 0.000 0.000 3/26880 370.0 1.479 2.285 1.742 0.000 0.000 0.000 3/26880 380.0 1.440 2.226 1.699 0.000 0.000 0.000 3/26880 390.0 1.403 2.170 1.659 0.000 0.000 0.000 3/26880 400.0 1.369 2.117 1.620 0.000 0.000 0.000 3/26880 410.0 1.336 2.066 1.583 0.000 0.000 0.000 3/26880 420.0 1.304 2.018 1.548 0.000 0.000 0.000 3/26880 430.0 1.274 1.972 1.514 0.000 0.000 0.000 3/26880 440.0 1.245 1.928 1.482 0.000 0.000 0.000 3/26880 450.0 1.218 1.886 1.451 0.000 0.000 0.000 3/26880 460.0 1.192 1.846 1.422 0.000 0.000 0.000 3/26880 470.0 1.167 1.807 1.393 0.000 0.000 0.000 3/26880 480.0 1.143 1.770 1.366 0.000 0.000 0.000 3/26880 490.0 1.119 1.735 1.340 0.000 0.000 0.000 3/26880 500.0 1.097 1.701 1.315 0.000 0.000 0.000 3/26880 510.0 1.076 1.668 1.290 0.000 0.000 0.000 3/26880 520.0 1.056 1.637 1.267 0.000 0.000 0.000 3/26880 530.0 1.036 1.606 1.244 0.000 0.000 0.000 3/26880 540.0 1.017 1.577 1.223 0.000 0.000 0.000 3/26880 550.0 0.999 1.549 1.201 0.000 0.000 0.000 3/26880 560.0 0.981 1.522 1.181 0.000 0.000 0.000 3/26880 570.0 0.964 1.495 1.162 0.000 0.000 0.000 3/26880 580.0 0.947 1.470 1.143 0.000 0.000 0.000 3/26880 590.0 0.932 1.445 1.124 0.000 0.000 0.000 3/26880 600.0 0.916 1.422 1.106 0.000 0.000 0.000 3/26880 610.0 0.901 1.399 1.089 0.000 0.000 0.000 3/26880 620.0 0.887 1.377 1.072 0.000 0.000 0.000 3/26880 630.0 0.873 1.355 1.056 0.000 0.000 0.000 3/26880 640.0 0.860 1.334 1.040 0.000 0.000 0.000 3/26880 650.0 0.846 1.314 1.025 0.000 0.000 0.000 3/26880 660.0 0.834 1.294 1.010 0.000 0.000 0.000 3/26880 670.0 0.821 1.275 0.996 0.000 0.000 0.000 3/26880 680.0 0.809 1.257 0.982 0.000 0.000 0.000 3/26880 690.0 0.798 1.239 0.968 0.000 0.000 0.000 3/26880 700.0 0.787 1.221 0.955 0.000 0.000 0.000 3/26880 710.0 0.776 1.204 0.942 0.000 0.000 0.000 3/26880 720.0 0.765 1.188 0.929 0.000 0.000 0.000 3/26880 730.0 0.755 1.172 0.917 0.000 0.000 0.000 3/26880 740.0 0.744 1.156 0.905 0.000 0.000 0.000 3/26880 750.0 0.735 1.141 0.894 0.000 0.000 0.000 3/26880 760.0 0.725 1.126 0.882 0.000 0.000 0.000 3/26880 770.0 0.716 1.112 0.871 0.000 0.000 0.000 3/26880 780.0 0.707 1.098 0.861 0.000 0.000 0.000 3/26880 790.0 0.698 1.084 0.850 0.000 0.000 0.000 3/26880 800.0 0.689 1.070 0.840 0.000 0.000 0.000 3/26880 810.0 0.681 1.057 0.830 0.000 0.000 0.000 3/26880 820.0 0.672 1.045 0.820 0.000 0.000 0.000 3/26880 830.0 0.664 1.032 0.810 0.000 0.000 0.000 3/26880 840.0 0.657 1.020 0.801 0.000 0.000 0.000 3/26880 850.0 0.649 1.008 0.792 0.000 0.000 0.000 3/26880 860.0 0.641 0.997 0.783 0.000 0.000 0.000 3/26880 870.0 0.634 0.985 0.774 0.000 0.000 0.000 3/26880 880.0 0.627 0.974 0.766 0.000 0.000 0.000 3/26880 890.0 0.620 0.963 0.757 0.000 0.000 0.000 3/26880 900.0 0.613 0.953 0.749 0.000 0.000 0.000 3/26880 910.0 0.606 0.942 0.741 0.000 0.000 0.000 3/26880 920.0 0.600 0.932 0.733 0.000 0.000 0.000 3/26880 930.0 0.594 0.922 0.726 0.000 0.000 0.000 3/26880 940.0 0.587 0.913 0.718 0.000 0.000 0.000 3/26880 950.0 0.581 0.903 0.711 0.000 0.000 0.000 3/26880 960.0 0.575 0.894 0.704 0.000 0.000 0.000 3/26880 970.0 0.569 0.885 0.697 0.000 0.000 0.000 3/26880 980.0 0.563 0.876 0.690 0.000 0.000 0.000 3/26880 990.0 0.558 0.867 0.683 0.000 0.000 0.000 3/26880 1000.0 0.552 0.858 0.676 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:25:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|