# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/8bc53508-815a-4e78-a834-7b38aee88384/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for B / R-3m (166) / materials id 160](https://mdr.nims.go.jp/datasets/db6a08bd-ac30-43ed-bd75-2aa01ab3ba8d) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 18:30:18]-------------------------Compiled with OpenMP support (max 48 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 144------------------------------ primitive cell ------------------------------Lattice vectors: a 2.439296319793068 1.408328386865788 4.170124123333329 b -2.439296319793062 1.408328386865788 4.170124123333329 c 0.000000000000002 -2.816656773731581 4.170124123333329Atomic positions (fractional): *1 B 0.98932116868718 0.34621225531414 0.98932116868718 10.811 2 B 0.34621225531414 0.98932116868718 0.98932116868718 10.811 3 B 0.98932116868718 0.98932116868718 0.34621225531414 10.811 4 B 0.01067883131283 0.01067883131283 0.65378774468586 10.811 5 B 0.01067883131283 0.65378774468587 0.01067883131283 10.811 6 B 0.65378774468586 0.01067883131283 0.01067883131283 10.811 *7 B 0.77831546808327 0.37039077997725 0.77831546808327 10.811 8 B 0.37039077997725 0.77831546808328 0.77831546808327 10.811 9 B 0.77831546808327 0.77831546808327 0.37039077997725 10.811 10 B 0.22168453191673 0.22168453191673 0.62960922002275 10.811 11 B 0.22168453191673 0.62960922002275 0.22168453191673 10.811 12 B 0.62960922002275 0.22168453191673 0.22168453191673 10.811-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.878592639586130 0.000000000000000 0.000000000000000 b -2.439296319793065 4.224985160597369 0.000000000000000 c 0.000000000000000 0.000000000000000 12.510372369999999Atomic positions (fractional): *1 B 0.88103630445768 0.11896369554232 0.10828486422950 10.811 > 1 2 B 0.23792739108464 0.11896369554232 0.10828486422950 10.811 > 2 3 B 0.88103630445768 0.76207260891536 0.10828486422950 10.811 > 3 4 B 0.78563036220899 0.57126072441797 0.22504846910384 10.811 > 4 5 B 0.78563036220899 0.21436963779101 0.22504846910384 10.811 > 5 6 B 0.42873927558203 0.21436963779101 0.22504846910384 10.811 > 6 *7 B 0.46930822936868 0.53069177063133 0.30900723871460 10.811 > 7 8 B 0.06138354126265 0.53069177063133 0.30900723871460 10.811 > 8 9 B 0.46930822936868 0.93861645873735 0.30900723871460 10.811 > 9 10 B 0.19735843729799 0.39471687459598 0.02432609461873 10.811 > 10 11 B 0.19735843729799 0.80264156270201 0.02432609461873 10.811 > 11 12 B 0.60528312540402 0.80264156270201 0.02432609461873 10.811 > 12 13 B 0.54770297112435 0.45229702887565 0.44161819756283 10.811 > 1 14 B 0.90459405775131 0.45229702887565 0.44161819756283 10.811 > 2 15 B 0.54770297112435 0.09540594224869 0.44161819756283 10.811 > 3 16 B 0.45229702887565 0.90459405775131 0.55838180243717 10.811 > 4 17 B 0.45229702887565 0.54770297112435 0.55838180243717 10.811 > 5 18 B 0.09540594224869 0.54770297112435 0.55838180243717 10.811 > 6 19 B 0.13597489603534 0.86402510396466 0.64234057204793 10.811 > 7 20 B 0.72805020792932 0.86402510396466 0.64234057204793 10.811 > 8 21 B 0.13597489603534 0.27194979207068 0.64234057204793 10.811 > 9 22 B 0.86402510396466 0.72805020792932 0.35765942795207 10.811 > 10 23 B 0.86402510396466 0.13597489603534 0.35765942795207 10.811 > 11 24 B 0.27194979207068 0.13597489603534 0.35765942795207 10.811 > 12 25 B 0.21436963779101 0.78563036220899 0.77495153089616 10.811 > 1 26 B 0.57126072441797 0.78563036220899 0.77495153089616 10.811 > 2 27 B 0.21436963779101 0.42873927558203 0.77495153089616 10.811 > 3 28 B 0.11896369554232 0.23792739108464 0.89171513577050 10.811 > 4 29 B 0.11896369554232 0.88103630445768 0.89171513577050 10.811 > 5 30 B 0.76207260891536 0.88103630445768 0.89171513577050 10.811 > 6 31 B 0.80264156270201 0.19735843729799 0.97567390538127 10.811 > 7 32 B 0.39471687459598 0.19735843729799 0.97567390538127 10.811 > 8 33 B 0.80264156270201 0.60528312540402 0.97567390538127 10.811 > 9 34 B 0.53069177063133 0.06138354126265 0.69099276128540 10.811 > 10 35 B 0.53069177063133 0.46930822936868 0.69099276128540 10.811 > 11 36 B 0.93861645873735 0.46930822936868 0.69099276128540 10.811 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 9.757185279172260 0.000000000000000 0.000000000000000 b -4.878592639586130 8.449970321194739 0.000000000000000 c 0.000000000000000 0.000000000000000 12.510372369999999Atomic positions (fractional): *1 B 0.44051815222884 0.05948184777116 0.10828486422950 10.811 > 1 2 B 0.94051815222884 0.05948184777116 0.10828486422950 10.811 > 1 3 B 0.44051815222884 0.55948184777116 0.10828486422950 10.811 > 1 4 B 0.94051815222884 0.55948184777116 0.10828486422950 10.811 > 1 5 B 0.11896369554232 0.05948184777116 0.10828486422950 10.811 > 2 6 B 0.61896369554232 0.05948184777116 0.10828486422950 10.811 > 2 7 B 0.11896369554232 0.55948184777116 0.10828486422950 10.811 > 2 8 B 0.61896369554232 0.55948184777116 0.10828486422950 10.811 > 2 9 B 0.44051815222884 0.38103630445768 0.10828486422950 10.811 > 3 10 B 0.94051815222884 0.38103630445768 0.10828486422950 10.811 > 3 11 B 0.44051815222884 0.88103630445768 0.10828486422950 10.811 > 3 12 B 0.94051815222884 0.88103630445768 0.10828486422950 10.811 > 3 13 B 0.39281518110449 0.28563036220899 0.22504846910384 10.811 > 4 14 B 0.89281518110449 0.28563036220899 0.22504846910384 10.811 > 4 15 B 0.39281518110449 0.78563036220899 0.22504846910384 10.811 > 4 16 B 0.89281518110449 0.78563036220899 0.22504846910384 10.811 > 4 17 B 0.39281518110449 0.10718481889551 0.22504846910384 10.811 > 5 18 B 0.89281518110449 0.10718481889551 0.22504846910384 10.811 > 5 19 B 0.39281518110449 0.60718481889551 0.22504846910384 10.811 > 5 20 B 0.89281518110449 0.60718481889551 0.22504846910384 10.811 > 5 21 B 0.21436963779101 0.10718481889551 0.22504846910384 10.811 > 6 22 B 0.71436963779101 0.10718481889551 0.22504846910384 10.811 > 6 23 B 0.21436963779101 0.60718481889551 0.22504846910384 10.811 > 6 24 B 0.71436963779101 0.60718481889551 0.22504846910384 10.811 > 6 *25 B 0.23465411468434 0.26534588531566 0.30900723871460 10.811 > 7 26 B 0.73465411468434 0.26534588531566 0.30900723871460 10.811 > 7 27 B 0.23465411468434 0.76534588531566 0.30900723871460 10.811 > 7 28 B 0.73465411468434 0.76534588531566 0.30900723871460 10.811 > 7 29 B 0.03069177063133 0.26534588531566 0.30900723871460 10.811 > 8 30 B 0.53069177063133 0.26534588531566 0.30900723871460 10.811 > 8 31 B 0.03069177063133 0.76534588531566 0.30900723871460 10.811 > 8 32 B 0.53069177063133 0.76534588531566 0.30900723871460 10.811 > 8 33 B 0.23465411468434 0.46930822936867 0.30900723871460 10.811 > 9 34 B 0.73465411468434 0.46930822936867 0.30900723871460 10.811 > 9 35 B 0.23465411468434 0.96930822936867 0.30900723871460 10.811 > 9 36 B 0.73465411468434 0.96930822936867 0.30900723871460 10.811 > 9 37 B 0.09867921864900 0.19735843729799 0.02432609461873 10.811 > 10 38 B 0.59867921864900 0.19735843729799 0.02432609461873 10.811 > 10 39 B 0.09867921864900 0.69735843729799 0.02432609461873 10.811 > 10 40 B 0.59867921864900 0.69735843729799 0.02432609461873 10.811 > 10 41 B 0.09867921864900 0.40132078135100 0.02432609461873 10.811 > 11 42 B 0.59867921864900 0.40132078135100 0.02432609461873 10.811 > 11 43 B 0.09867921864900 0.90132078135100 0.02432609461873 10.811 > 11 44 B 0.59867921864900 0.90132078135100 0.02432609461873 10.811 > 11 45 B 0.30264156270201 0.40132078135100 0.02432609461873 10.811 > 12 46 B 0.80264156270201 0.40132078135100 0.02432609461873 10.811 > 12 47 B 0.30264156270201 0.90132078135100 0.02432609461873 10.811 > 12 48 B 0.80264156270201 0.90132078135100 0.02432609461873 10.811 > 12 49 B 0.27385148556217 0.22614851443783 0.44161819756283 10.811 > 1 50 B 0.77385148556217 0.22614851443783 0.44161819756283 10.811 > 1 51 B 0.27385148556217 0.72614851443783 0.44161819756283 10.811 > 1 52 B 0.77385148556217 0.72614851443783 0.44161819756283 10.811 > 1 53 B 0.45229702887565 0.22614851443783 0.44161819756283 10.811 > 2 54 B 0.95229702887565 0.22614851443783 0.44161819756283 10.811 > 2 55 B 0.45229702887565 0.72614851443783 0.44161819756283 10.811 > 2 56 B 0.95229702887565 0.72614851443783 0.44161819756283 10.811 > 2 57 B 0.27385148556217 0.04770297112435 0.44161819756283 10.811 > 3 58 B 0.77385148556217 0.04770297112435 0.44161819756283 10.811 > 3 59 B 0.27385148556217 0.54770297112435 0.44161819756283 10.811 > 3 60 B 0.77385148556217 0.54770297112435 0.44161819756283 10.811 > 3 61 B 0.22614851443783 0.45229702887565 0.55838180243717 10.811 > 4 62 B 0.72614851443783 0.45229702887565 0.55838180243717 10.811 > 4 63 B 0.22614851443783 0.95229702887565 0.55838180243717 10.811 > 4 64 B 0.72614851443783 0.95229702887565 0.55838180243717 10.811 > 4 65 B 0.22614851443783 0.27385148556217 0.55838180243717 10.811 > 5 66 B 0.72614851443783 0.27385148556217 0.55838180243717 10.811 > 5 67 B 0.22614851443783 0.77385148556217 0.55838180243717 10.811 > 5 68 B 0.72614851443783 0.77385148556217 0.55838180243717 10.811 > 5 69 B 0.04770297112435 0.27385148556217 0.55838180243717 10.811 > 6 70 B 0.54770297112435 0.27385148556217 0.55838180243717 10.811 > 6 71 B 0.04770297112435 0.77385148556217 0.55838180243717 10.811 > 6 72 B 0.54770297112435 0.77385148556217 0.55838180243717 10.811 > 6 73 B 0.06798744801767 0.43201255198233 0.64234057204793 10.811 > 7 74 B 0.56798744801767 0.43201255198233 0.64234057204793 10.811 > 7 75 B 0.06798744801767 0.93201255198233 0.64234057204793 10.811 > 7 76 B 0.56798744801767 0.93201255198233 0.64234057204793 10.811 > 7 77 B 0.36402510396466 0.43201255198233 0.64234057204793 10.811 > 8 78 B 0.86402510396466 0.43201255198233 0.64234057204793 10.811 > 8 79 B 0.36402510396466 0.93201255198233 0.64234057204793 10.811 > 8 80 B 0.86402510396466 0.93201255198233 0.64234057204793 10.811 > 8 81 B 0.06798744801767 0.13597489603534 0.64234057204793 10.811 > 9 82 B 0.56798744801767 0.13597489603534 0.64234057204793 10.811 > 9 83 B 0.06798744801767 0.63597489603534 0.64234057204793 10.811 > 9 84 B 0.56798744801767 0.63597489603534 0.64234057204793 10.811 > 9 85 B 0.43201255198233 0.36402510396466 0.35765942795207 10.811 > 10 86 B 0.93201255198233 0.36402510396466 0.35765942795207 10.811 > 10 87 B 0.43201255198233 0.86402510396466 0.35765942795207 10.811 > 10 88 B 0.93201255198233 0.86402510396466 0.35765942795207 10.811 > 10 89 B 0.43201255198233 0.06798744801767 0.35765942795207 10.811 > 11 90 B 0.93201255198233 0.06798744801767 0.35765942795207 10.811 > 11 91 B 0.43201255198233 0.56798744801767 0.35765942795207 10.811 > 11 92 B 0.93201255198233 0.56798744801767 0.35765942795207 10.811 > 11 93 B 0.13597489603534 0.06798744801767 0.35765942795207 10.811 > 12 94 B 0.63597489603534 0.06798744801767 0.35765942795207 10.811 > 12 95 B 0.13597489603534 0.56798744801767 0.35765942795207 10.811 > 12 96 B 0.63597489603534 0.56798744801767 0.35765942795207 10.811 > 12 97 B 0.10718481889551 0.39281518110449 0.77495153089616 10.811 > 1 98 B 0.60718481889551 0.39281518110449 0.77495153089616 10.811 > 1 99 B 0.10718481889551 0.89281518110449 0.77495153089616 10.811 > 1 100 B 0.60718481889551 0.89281518110449 0.77495153089616 10.811 > 1 101 B 0.28563036220899 0.39281518110449 0.77495153089616 10.811 > 2 102 B 0.78563036220899 0.39281518110449 0.77495153089616 10.811 > 2 103 B 0.28563036220899 0.89281518110449 0.77495153089616 10.811 > 2 104 B 0.78563036220899 0.89281518110449 0.77495153089616 10.811 > 2 105 B 0.10718481889551 0.21436963779101 0.77495153089616 10.811 > 3 106 B 0.60718481889551 0.21436963779101 0.77495153089616 10.811 > 3 107 B 0.10718481889551 0.71436963779101 0.77495153089616 10.811 > 3 108 B 0.60718481889551 0.71436963779101 0.77495153089616 10.811 > 3 109 B 0.05948184777116 0.11896369554232 0.89171513577050 10.811 > 4 110 B 0.55948184777116 0.11896369554232 0.89171513577050 10.811 > 4 111 B 0.05948184777116 0.61896369554232 0.89171513577050 10.811 > 4 112 B 0.55948184777116 0.61896369554232 0.89171513577050 10.811 > 4 113 B 0.05948184777116 0.44051815222884 0.89171513577050 10.811 > 5 114 B 0.55948184777116 0.44051815222884 0.89171513577050 10.811 > 5 115 B 0.05948184777116 0.94051815222884 0.89171513577050 10.811 > 5 116 B 0.55948184777116 0.94051815222884 0.89171513577050 10.811 > 5 117 B 0.38103630445768 0.44051815222884 0.89171513577050 10.811 > 6 118 B 0.88103630445768 0.44051815222884 0.89171513577050 10.811 > 6 119 B 0.38103630445768 0.94051815222884 0.89171513577050 10.811 > 6 120 B 0.88103630445768 0.94051815222884 0.89171513577050 10.811 > 6 121 B 0.40132078135100 0.09867921864900 0.97567390538127 10.811 > 7 122 B 0.90132078135100 0.09867921864900 0.97567390538127 10.811 > 7 123 B 0.40132078135100 0.59867921864900 0.97567390538127 10.811 > 7 124 B 0.90132078135100 0.59867921864900 0.97567390538127 10.811 > 7 125 B 0.19735843729799 0.09867921864900 0.97567390538127 10.811 > 8 126 B 0.69735843729799 0.09867921864900 0.97567390538127 10.811 > 8 127 B 0.19735843729799 0.59867921864900 0.97567390538127 10.811 > 8 128 B 0.69735843729799 0.59867921864900 0.97567390538127 10.811 > 8 129 B 0.40132078135100 0.30264156270201 0.97567390538127 10.811 > 9 130 B 0.90132078135100 0.30264156270201 0.97567390538127 10.811 > 9 131 B 0.40132078135100 0.80264156270201 0.97567390538127 10.811 > 9 132 B 0.90132078135100 0.80264156270201 0.97567390538127 10.811 > 9 133 B 0.26534588531566 0.03069177063133 0.69099276128540 10.811 > 10 134 B 0.76534588531566 0.03069177063133 0.69099276128540 10.811 > 10 135 B 0.26534588531566 0.53069177063133 0.69099276128540 10.811 > 10 136 B 0.76534588531566 0.53069177063133 0.69099276128540 10.811 > 10 137 B 0.26534588531566 0.23465411468434 0.69099276128540 10.811 > 11 138 B 0.76534588531566 0.23465411468434 0.69099276128540 10.811 > 11 139 B 0.26534588531566 0.73465411468434 0.69099276128540 10.811 > 11 140 B 0.76534588531566 0.73465411468434 0.69099276128540 10.811 > 11 141 B 0.46930822936867 0.23465411468434 0.69099276128540 10.811 > 12 142 B 0.96930822936867 0.23465411468434 0.69099276128540 10.811 > 12 143 B 0.46930822936867 0.73465411468434 0.69099276128540 10.811 > 12 144 B 0.96930822936867 0.73465411468434 0.69099276128540 10.811 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 10.5376037 -0.0000000 0.0000000 0.0000000 10.5376037 0.0000000 0.0000000 0.0000000 7.7352950-------------------------- Born effective charges -------------------------- 1 B -0.2612530 -0.0312624 -0.0181440 -0.0312624 -0.2973517 0.0104755 -0.2692962 0.1554783 0.0389266 2 B -0.2612530 0.0312624 0.0181440 0.0312624 -0.2973517 0.0104755 0.2692962 0.1554783 0.0389266 3 B -0.3154011 -0.0000000 0.0000000 -0.0000000 -0.2432036 -0.0209509 0.0000000 -0.3109565 0.0389266 4 B -0.3154011 -0.0000000 0.0000000 -0.0000000 -0.2432036 -0.0209509 0.0000000 -0.3109565 0.0389266 5 B -0.2612530 -0.0312624 -0.0181440 -0.0312624 -0.2973517 0.0104755 -0.2692962 0.1554783 0.0389266 6 B -0.2612530 0.0312624 0.0181440 0.0312624 -0.2973517 0.0104755 0.2692962 0.1554783 0.0389266 7 B 0.4571362 -0.3080173 0.0319273 -0.3080173 0.1014685 -0.0184332 -0.0556625 0.0321367 -0.0389266 8 B 0.4571362 0.3080173 -0.0319273 0.3080173 0.1014685 -0.0184332 0.0556625 0.0321367 -0.0389266 9 B -0.0763654 -0.0000000 -0.0000000 -0.0000000 0.6349701 0.0368664 0.0000000 -0.0642735 -0.0389266 10 B -0.0763654 -0.0000000 -0.0000000 -0.0000000 0.6349701 0.0368664 0.0000000 -0.0642735 -0.0389266 11 B 0.4571362 -0.3080173 0.0319273 -0.3080173 0.1014685 -0.0184332 -0.0556625 0.0321367 -0.0389266 12 B 0.4571362 0.3080173 -0.0319273 0.3080173 0.1014685 -0.0184332 0.0556625 0.0321367 -0.0389266----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 432/432Permutation basis: 13104/13104Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 720Number of blocks in projector: 376Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 104Use standard eigh solver.Tree of FC basis block matrices:- (720, 710), data: False|-- (104, 102), data: True|-- (288, 284), data: True|-- (328, 324), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.032Solver_block: 100 / 160 - Time: 0.691Solver_block: 160 / 160 - Time: 0.480Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.209--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432Permutation basis: 13104/13104Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 720Number of blocks in projector: 376Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 104Use standard eigh solver.Tree of FC basis block matrices:- (720, 710), data: False|-- (104, 102), data: True|-- (288, 284), data: True|-- (328, 324), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 18:30:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 18:30:30]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.439296319793068 1.408328386865788 4.170124123333329 b -2.439296319793062 1.408328386865788 4.170124123333329 c 0.000000000000002 -2.816656773731581 4.170124123333329Atomic positions (fractional): 1 B 0.98932116868718 0.34621225531414 0.98932116868718 10.811 2 B 0.34621225531414 0.98932116868718 0.98932116868718 10.811 3 B 0.98932116868718 0.98932116868718 0.34621225531414 10.811 4 B 0.01067883131283 0.01067883131283 0.65378774468586 10.811 5 B 0.01067883131283 0.65378774468587 0.01067883131283 10.811 6 B 0.65378774468586 0.01067883131283 0.01067883131283 10.811 7 B 0.77831546808327 0.37039077997725 0.77831546808327 10.811 8 B 0.37039077997725 0.77831546808328 0.77831546808327 10.811 9 B 0.77831546808327 0.77831546808327 0.37039077997725 10.811 10 B 0.22168453191673 0.22168453191673 0.62960922002275 10.811 11 B 0.22168453191673 0.62960922002275 0.22168453191673 10.811 12 B 0.62960922002275 0.22168453191673 0.22168453191673 10.811-------------------------------- supercell ---------------------------------Lattice vectors: a 9.757185279172260 0.000000000000000 0.000000000000000 b -4.878592639586130 8.449970321194739 0.000000000000000 c 0.000000000000000 0.000000000000000 12.510372369999999Atomic positions (fractional): 1 B 0.44051815222884 0.05948184777116 0.10828486422950 10.811 > 1 2 B 0.94051815222884 0.05948184777116 0.10828486422950 10.811 > 1 3 B 0.44051815222884 0.55948184777116 0.10828486422950 10.811 > 1 4 B 0.94051815222884 0.55948184777116 0.10828486422950 10.811 > 1 5 B 0.11896369554232 0.05948184777116 0.10828486422950 10.811 > 5 6 B 0.61896369554232 0.05948184777116 0.10828486422950 10.811 > 5 7 B 0.11896369554232 0.55948184777116 0.10828486422950 10.811 > 5 8 B 0.61896369554232 0.55948184777116 0.10828486422950 10.811 > 5 9 B 0.44051815222884 0.38103630445768 0.10828486422950 10.811 > 9 10 B 0.94051815222884 0.38103630445768 0.10828486422950 10.811 > 9 11 B 0.44051815222884 0.88103630445768 0.10828486422950 10.811 > 9 12 B 0.94051815222884 0.88103630445768 0.10828486422950 10.811 > 9 13 B 0.39281518110449 0.28563036220899 0.22504846910384 10.811 > 13 14 B 0.89281518110449 0.28563036220899 0.22504846910384 10.811 > 13 15 B 0.39281518110449 0.78563036220899 0.22504846910384 10.811 > 13 16 B 0.89281518110449 0.78563036220899 0.22504846910384 10.811 > 13 17 B 0.39281518110449 0.10718481889551 0.22504846910384 10.811 > 17 18 B 0.89281518110449 0.10718481889551 0.22504846910384 10.811 > 17 19 B 0.39281518110449 0.60718481889551 0.22504846910384 10.811 > 17 20 B 0.89281518110449 0.60718481889551 0.22504846910384 10.811 > 17 21 B 0.21436963779101 0.10718481889551 0.22504846910384 10.811 > 21 22 B 0.71436963779101 0.10718481889551 0.22504846910384 10.811 > 21 23 B 0.21436963779101 0.60718481889551 0.22504846910384 10.811 > 21 24 B 0.71436963779101 0.60718481889551 0.22504846910384 10.811 > 21 25 B 0.23465411468434 0.26534588531566 0.30900723871460 10.811 > 25 26 B 0.73465411468434 0.26534588531566 0.30900723871460 10.811 > 25 27 B 0.23465411468434 0.76534588531566 0.30900723871460 10.811 > 25 28 B 0.73465411468434 0.76534588531566 0.30900723871460 10.811 > 25 29 B 0.03069177063133 0.26534588531566 0.30900723871460 10.811 > 29 30 B 0.53069177063133 0.26534588531566 0.30900723871460 10.811 > 29 31 B 0.03069177063133 0.76534588531566 0.30900723871460 10.811 > 29 32 B 0.53069177063133 0.76534588531566 0.30900723871460 10.811 > 29 33 B 0.23465411468434 0.46930822936867 0.30900723871460 10.811 > 33 34 B 0.73465411468434 0.46930822936867 0.30900723871460 10.811 > 33 35 B 0.23465411468434 0.96930822936867 0.30900723871460 10.811 > 33 36 B 0.73465411468434 0.96930822936867 0.30900723871460 10.811 > 33 37 B 0.09867921864900 0.19735843729799 0.02432609461873 10.811 > 37 38 B 0.59867921864900 0.19735843729799 0.02432609461873 10.811 > 37 39 B 0.09867921864900 0.69735843729799 0.02432609461873 10.811 > 37 40 B 0.59867921864900 0.69735843729799 0.02432609461873 10.811 > 37 41 B 0.09867921864900 0.40132078135100 0.02432609461873 10.811 > 41 42 B 0.59867921864900 0.40132078135100 0.02432609461873 10.811 > 41 43 B 0.09867921864900 0.90132078135100 0.02432609461873 10.811 > 41 44 B 0.59867921864900 0.90132078135100 0.02432609461873 10.811 > 41 45 B 0.30264156270201 0.40132078135100 0.02432609461873 10.811 > 45 46 B 0.80264156270201 0.40132078135100 0.02432609461873 10.811 > 45 47 B 0.30264156270201 0.90132078135100 0.02432609461873 10.811 > 45 48 B 0.80264156270201 0.90132078135100 0.02432609461873 10.811 > 45 49 B 0.27385148556217 0.22614851443783 0.44161819756283 10.811 > 1 50 B 0.77385148556217 0.22614851443783 0.44161819756283 10.811 > 1 51 B 0.27385148556217 0.72614851443783 0.44161819756283 10.811 > 1 52 B 0.77385148556217 0.72614851443783 0.44161819756283 10.811 > 1 53 B 0.45229702887565 0.22614851443783 0.44161819756283 10.811 > 5 54 B 0.95229702887565 0.22614851443783 0.44161819756283 10.811 > 5 55 B 0.45229702887565 0.72614851443783 0.44161819756283 10.811 > 5 56 B 0.95229702887565 0.72614851443783 0.44161819756283 10.811 > 5 57 B 0.27385148556217 0.04770297112435 0.44161819756283 10.811 > 9 58 B 0.77385148556217 0.04770297112435 0.44161819756283 10.811 > 9 59 B 0.27385148556217 0.54770297112435 0.44161819756283 10.811 > 9 60 B 0.77385148556217 0.54770297112435 0.44161819756283 10.811 > 9 61 B 0.22614851443783 0.45229702887565 0.55838180243717 10.811 > 13 62 B 0.72614851443783 0.45229702887565 0.55838180243717 10.811 > 13 63 B 0.22614851443783 0.95229702887565 0.55838180243717 10.811 > 13 64 B 0.72614851443783 0.95229702887565 0.55838180243717 10.811 > 13 65 B 0.22614851443783 0.27385148556217 0.55838180243717 10.811 > 17 66 B 0.72614851443783 0.27385148556217 0.55838180243717 10.811 > 17 67 B 0.22614851443783 0.77385148556217 0.55838180243717 10.811 > 17 68 B 0.72614851443783 0.77385148556217 0.55838180243717 10.811 > 17 69 B 0.04770297112435 0.27385148556217 0.55838180243717 10.811 > 21 70 B 0.54770297112435 0.27385148556217 0.55838180243717 10.811 > 21 71 B 0.04770297112435 0.77385148556217 0.55838180243717 10.811 > 21 72 B 0.54770297112435 0.77385148556217 0.55838180243717 10.811 > 21 73 B 0.06798744801767 0.43201255198233 0.64234057204793 10.811 > 25 74 B 0.56798744801767 0.43201255198233 0.64234057204793 10.811 > 25 75 B 0.06798744801767 0.93201255198233 0.64234057204793 10.811 > 25 76 B 0.56798744801767 0.93201255198233 0.64234057204793 10.811 > 25 77 B 0.36402510396466 0.43201255198233 0.64234057204793 10.811 > 29 78 B 0.86402510396466 0.43201255198233 0.64234057204793 10.811 > 29 79 B 0.36402510396466 0.93201255198233 0.64234057204793 10.811 > 29 80 B 0.86402510396466 0.93201255198233 0.64234057204793 10.811 > 29 81 B 0.06798744801767 0.13597489603534 0.64234057204793 10.811 > 33 82 B 0.56798744801767 0.13597489603534 0.64234057204793 10.811 > 33 83 B 0.06798744801767 0.63597489603534 0.64234057204793 10.811 > 33 84 B 0.56798744801767 0.63597489603534 0.64234057204793 10.811 > 33 85 B 0.43201255198233 0.36402510396466 0.35765942795207 10.811 > 37 86 B 0.93201255198233 0.36402510396466 0.35765942795207 10.811 > 37 87 B 0.43201255198233 0.86402510396466 0.35765942795207 10.811 > 37 88 B 0.93201255198233 0.86402510396466 0.35765942795207 10.811 > 37 89 B 0.43201255198233 0.06798744801767 0.35765942795207 10.811 > 41 90 B 0.93201255198233 0.06798744801767 0.35765942795207 10.811 > 41 91 B 0.43201255198233 0.56798744801767 0.35765942795207 10.811 > 41 92 B 0.93201255198233 0.56798744801767 0.35765942795207 10.811 > 41 93 B 0.13597489603534 0.06798744801767 0.35765942795207 10.811 > 45 94 B 0.63597489603534 0.06798744801767 0.35765942795207 10.811 > 45 95 B 0.13597489603534 0.56798744801767 0.35765942795207 10.811 > 45 96 B 0.63597489603534 0.56798744801767 0.35765942795207 10.811 > 45 97 B 0.10718481889551 0.39281518110449 0.77495153089616 10.811 > 1 98 B 0.60718481889551 0.39281518110449 0.77495153089616 10.811 > 1 99 B 0.10718481889551 0.89281518110449 0.77495153089616 10.811 > 1 100 B 0.60718481889551 0.89281518110449 0.77495153089616 10.811 > 1 101 B 0.28563036220899 0.39281518110449 0.77495153089616 10.811 > 5 102 B 0.78563036220899 0.39281518110449 0.77495153089616 10.811 > 5 103 B 0.28563036220899 0.89281518110449 0.77495153089616 10.811 > 5 104 B 0.78563036220899 0.89281518110449 0.77495153089616 10.811 > 5 105 B 0.10718481889551 0.21436963779101 0.77495153089616 10.811 > 9 106 B 0.60718481889551 0.21436963779101 0.77495153089616 10.811 > 9 107 B 0.10718481889551 0.71436963779101 0.77495153089616 10.811 > 9 108 B 0.60718481889551 0.71436963779101 0.77495153089616 10.811 > 9 109 B 0.05948184777116 0.11896369554232 0.89171513577050 10.811 > 13 110 B 0.55948184777116 0.11896369554232 0.89171513577050 10.811 > 13 111 B 0.05948184777116 0.61896369554232 0.89171513577050 10.811 > 13 112 B 0.55948184777116 0.61896369554232 0.89171513577050 10.811 > 13 113 B 0.05948184777116 0.44051815222884 0.89171513577050 10.811 > 17 114 B 0.55948184777116 0.44051815222884 0.89171513577050 10.811 > 17 115 B 0.05948184777116 0.94051815222884 0.89171513577050 10.811 > 17 116 B 0.55948184777116 0.94051815222884 0.89171513577050 10.811 > 17 117 B 0.38103630445768 0.44051815222884 0.89171513577050 10.811 > 21 118 B 0.88103630445768 0.44051815222884 0.89171513577050 10.811 > 21 119 B 0.38103630445768 0.94051815222884 0.89171513577050 10.811 > 21 120 B 0.88103630445768 0.94051815222884 0.89171513577050 10.811 > 21 121 B 0.40132078135100 0.09867921864900 0.97567390538127 10.811 > 25 122 B 0.90132078135100 0.09867921864900 0.97567390538127 10.811 > 25 123 B 0.40132078135100 0.59867921864900 0.97567390538127 10.811 > 25 124 B 0.90132078135100 0.59867921864900 0.97567390538127 10.811 > 25 125 B 0.19735843729799 0.09867921864900 0.97567390538127 10.811 > 29 126 B 0.69735843729799 0.09867921864900 0.97567390538127 10.811 > 29 127 B 0.19735843729799 0.59867921864900 0.97567390538127 10.811 > 29 128 B 0.69735843729799 0.59867921864900 0.97567390538127 10.811 > 29 129 B 0.40132078135100 0.30264156270201 0.97567390538127 10.811 > 33 130 B 0.90132078135100 0.30264156270201 0.97567390538127 10.811 > 33 131 B 0.40132078135100 0.80264156270201 0.97567390538127 10.811 > 33 132 B 0.90132078135100 0.80264156270201 0.97567390538127 10.811 > 33 133 B 0.26534588531566 0.03069177063133 0.69099276128540 10.811 > 37 134 B 0.76534588531566 0.03069177063133 0.69099276128540 10.811 > 37 135 B 0.26534588531566 0.53069177063133 0.69099276128540 10.811 > 37 136 B 0.76534588531566 0.53069177063133 0.69099276128540 10.811 > 37 137 B 0.26534588531566 0.23465411468434 0.69099276128540 10.811 > 41 138 B 0.76534588531566 0.23465411468434 0.69099276128540 10.811 > 41 139 B 0.26534588531566 0.73465411468434 0.69099276128540 10.811 > 41 140 B 0.76534588531566 0.73465411468434 0.69099276128540 10.811 > 41 141 B 0.46930822936867 0.23465411468434 0.69099276128540 10.811 > 45 142 B 0.96930822936867 0.23465411468434 0.69099276128540 10.811 > 45 143 B 0.46930822936867 0.73465411468434 0.69099276128540 10.811 > 45 144 B 0.96930822936867 0.73465411468434 0.69099276128540 10.811 > 45----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 10.5376037 -0.0000000 0.0000000 0.0000000 10.5376037 0.0000000 0.0000000 0.0000000 7.7352950-------------------------- Born effective charges -------------------------- 1 B -0.2612530 -0.0312624 -0.0181440 -0.0312624 -0.2973517 0.0104755 -0.2692962 0.1554783 0.0389266 2 B -0.2612530 0.0312624 0.0181440 0.0312624 -0.2973517 0.0104755 0.2692962 0.1554783 0.0389266 3 B -0.3154011 -0.0000000 0.0000000 -0.0000000 -0.2432036 -0.0209509 0.0000000 -0.3109565 0.0389266 4 B -0.3154011 -0.0000000 0.0000000 -0.0000000 -0.2432036 -0.0209509 0.0000000 -0.3109565 0.0389266 5 B -0.2612530 -0.0312624 -0.0181440 -0.0312624 -0.2973517 0.0104755 -0.2692962 0.1554783 0.0389266 6 B -0.2612530 0.0312624 0.0181440 0.0312624 -0.2973517 0.0104755 0.2692962 0.1554783 0.0389266 7 B 0.4571362 -0.3080173 0.0319273 -0.3080173 0.1014685 -0.0184332 -0.0556625 0.0321367 -0.0389266 8 B 0.4571362 0.3080173 -0.0319273 0.3080173 0.1014685 -0.0184332 0.0556625 0.0321367 -0.0389266 9 B -0.0763654 -0.0000000 -0.0000000 -0.0000000 0.6349701 0.0368664 0.0000000 -0.0642735 -0.0389266 10 B -0.0763654 -0.0000000 -0.0000000 -0.0000000 0.6349701 0.0368664 0.0000000 -0.0642735 -0.0389266 11 B 0.4571362 -0.3080173 0.0319273 -0.3080173 0.1014685 -0.0184332 -0.0556625 0.0321367 -0.0389266 12 B 0.4571362 0.3080173 -0.0319273 0.3080173 0.1014685 -0.0184332 0.0556625 0.0321367 -0.0389266----------------------------------------------------------------------------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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000030 (yyy) 0.00000030 (yyy) 0.00000030 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 18:30:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 18:30:41]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.439296319793068 1.408328386865788 4.170124123333329 b -2.439296319793062 1.408328386865788 4.170124123333329 c 0.000000000000002 -2.816656773731581 4.170124123333329Atomic positions (fractional): 1 B 0.98932116868718 0.34621225531414 0.98932116868718 10.811 2 B 0.34621225531414 0.98932116868718 0.98932116868718 10.811 3 B 0.98932116868718 0.98932116868718 0.34621225531414 10.811 4 B 0.01067883131283 0.01067883131283 0.65378774468586 10.811 5 B 0.01067883131283 0.65378774468587 0.01067883131283 10.811 6 B 0.65378774468586 0.01067883131283 0.01067883131283 10.811 7 B 0.77831546808327 0.37039077997725 0.77831546808327 10.811 8 B 0.37039077997725 0.77831546808328 0.77831546808327 10.811 9 B 0.77831546808327 0.77831546808327 0.37039077997725 10.811 10 B 0.22168453191673 0.22168453191673 0.62960922002275 10.811 11 B 0.22168453191673 0.62960922002275 0.22168453191673 10.811 12 B 0.62960922002275 0.22168453191673 0.22168453191673 10.811-------------------------------- supercell ---------------------------------Lattice vectors: a 9.757185279172260 0.000000000000000 0.000000000000000 b -4.878592639586130 8.449970321194739 0.000000000000000 c 0.000000000000000 0.000000000000000 12.510372369999999Atomic positions (fractional): 1 B 0.44051815222884 0.05948184777116 0.10828486422950 10.811 > 1 2 B 0.94051815222884 0.05948184777116 0.10828486422950 10.811 > 1 3 B 0.44051815222884 0.55948184777116 0.10828486422950 10.811 > 1 4 B 0.94051815222884 0.55948184777116 0.10828486422950 10.811 > 1 5 B 0.11896369554232 0.05948184777116 0.10828486422950 10.811 > 5 6 B 0.61896369554232 0.05948184777116 0.10828486422950 10.811 > 5 7 B 0.11896369554232 0.55948184777116 0.10828486422950 10.811 > 5 8 B 0.61896369554232 0.55948184777116 0.10828486422950 10.811 > 5 9 B 0.44051815222884 0.38103630445768 0.10828486422950 10.811 > 9 10 B 0.94051815222884 0.38103630445768 0.10828486422950 10.811 > 9 11 B 0.44051815222884 0.88103630445768 0.10828486422950 10.811 > 9 12 B 0.94051815222884 0.88103630445768 0.10828486422950 10.811 > 9 13 B 0.39281518110449 0.28563036220899 0.22504846910384 10.811 > 13 14 B 0.89281518110449 0.28563036220899 0.22504846910384 10.811 > 13 15 B 0.39281518110449 0.78563036220899 0.22504846910384 10.811 > 13 16 B 0.89281518110449 0.78563036220899 0.22504846910384 10.811 > 13 17 B 0.39281518110449 0.10718481889551 0.22504846910384 10.811 > 17 18 B 0.89281518110449 0.10718481889551 0.22504846910384 10.811 > 17 19 B 0.39281518110449 0.60718481889551 0.22504846910384 10.811 > 17 20 B 0.89281518110449 0.60718481889551 0.22504846910384 10.811 > 17 21 B 0.21436963779101 0.10718481889551 0.22504846910384 10.811 > 21 22 B 0.71436963779101 0.10718481889551 0.22504846910384 10.811 > 21 23 B 0.21436963779101 0.60718481889551 0.22504846910384 10.811 > 21 24 B 0.71436963779101 0.60718481889551 0.22504846910384 10.811 > 21 25 B 0.23465411468434 0.26534588531566 0.30900723871460 10.811 > 25 26 B 0.73465411468434 0.26534588531566 0.30900723871460 10.811 > 25 27 B 0.23465411468434 0.76534588531566 0.30900723871460 10.811 > 25 28 B 0.73465411468434 0.76534588531566 0.30900723871460 10.811 > 25 29 B 0.03069177063133 0.26534588531566 0.30900723871460 10.811 > 29 30 B 0.53069177063133 0.26534588531566 0.30900723871460 10.811 > 29 31 B 0.03069177063133 0.76534588531566 0.30900723871460 10.811 > 29 32 B 0.53069177063133 0.76534588531566 0.30900723871460 10.811 > 29 33 B 0.23465411468434 0.46930822936867 0.30900723871460 10.811 > 33 34 B 0.73465411468434 0.46930822936867 0.30900723871460 10.811 > 33 35 B 0.23465411468434 0.96930822936867 0.30900723871460 10.811 > 33 36 B 0.73465411468434 0.96930822936867 0.30900723871460 10.811 > 33 37 B 0.09867921864900 0.19735843729799 0.02432609461873 10.811 > 37 38 B 0.59867921864900 0.19735843729799 0.02432609461873 10.811 > 37 39 B 0.09867921864900 0.69735843729799 0.02432609461873 10.811 > 37 40 B 0.59867921864900 0.69735843729799 0.02432609461873 10.811 > 37 41 B 0.09867921864900 0.40132078135100 0.02432609461873 10.811 > 41 42 B 0.59867921864900 0.40132078135100 0.02432609461873 10.811 > 41 43 B 0.09867921864900 0.90132078135100 0.02432609461873 10.811 > 41 44 B 0.59867921864900 0.90132078135100 0.02432609461873 10.811 > 41 45 B 0.30264156270201 0.40132078135100 0.02432609461873 10.811 > 45 46 B 0.80264156270201 0.40132078135100 0.02432609461873 10.811 > 45 47 B 0.30264156270201 0.90132078135100 0.02432609461873 10.811 > 45 48 B 0.80264156270201 0.90132078135100 0.02432609461873 10.811 > 45 49 B 0.27385148556217 0.22614851443783 0.44161819756283 10.811 > 1 50 B 0.77385148556217 0.22614851443783 0.44161819756283 10.811 > 1 51 B 0.27385148556217 0.72614851443783 0.44161819756283 10.811 > 1 52 B 0.77385148556217 0.72614851443783 0.44161819756283 10.811 > 1 53 B 0.45229702887565 0.22614851443783 0.44161819756283 10.811 > 5 54 B 0.95229702887565 0.22614851443783 0.44161819756283 10.811 > 5 55 B 0.45229702887565 0.72614851443783 0.44161819756283 10.811 > 5 56 B 0.95229702887565 0.72614851443783 0.44161819756283 10.811 > 5 57 B 0.27385148556217 0.04770297112435 0.44161819756283 10.811 > 9 58 B 0.77385148556217 0.04770297112435 0.44161819756283 10.811 > 9 59 B 0.27385148556217 0.54770297112435 0.44161819756283 10.811 > 9 60 B 0.77385148556217 0.54770297112435 0.44161819756283 10.811 > 9 61 B 0.22614851443783 0.45229702887565 0.55838180243717 10.811 > 13 62 B 0.72614851443783 0.45229702887565 0.55838180243717 10.811 > 13 63 B 0.22614851443783 0.95229702887565 0.55838180243717 10.811 > 13 64 B 0.72614851443783 0.95229702887565 0.55838180243717 10.811 > 13 65 B 0.22614851443783 0.27385148556217 0.55838180243717 10.811 > 17 66 B 0.72614851443783 0.27385148556217 0.55838180243717 10.811 > 17 67 B 0.22614851443783 0.77385148556217 0.55838180243717 10.811 > 17 68 B 0.72614851443783 0.77385148556217 0.55838180243717 10.811 > 17 69 B 0.04770297112435 0.27385148556217 0.55838180243717 10.811 > 21 70 B 0.54770297112435 0.27385148556217 0.55838180243717 10.811 > 21 71 B 0.04770297112435 0.77385148556217 0.55838180243717 10.811 > 21 72 B 0.54770297112435 0.77385148556217 0.55838180243717 10.811 > 21 73 B 0.06798744801767 0.43201255198233 0.64234057204793 10.811 > 25 74 B 0.56798744801767 0.43201255198233 0.64234057204793 10.811 > 25 75 B 0.06798744801767 0.93201255198233 0.64234057204793 10.811 > 25 76 B 0.56798744801767 0.93201255198233 0.64234057204793 10.811 > 25 77 B 0.36402510396466 0.43201255198233 0.64234057204793 10.811 > 29 78 B 0.86402510396466 0.43201255198233 0.64234057204793 10.811 > 29 79 B 0.36402510396466 0.93201255198233 0.64234057204793 10.811 > 29 80 B 0.86402510396466 0.93201255198233 0.64234057204793 10.811 > 29 81 B 0.06798744801767 0.13597489603534 0.64234057204793 10.811 > 33 82 B 0.56798744801767 0.13597489603534 0.64234057204793 10.811 > 33 83 B 0.06798744801767 0.63597489603534 0.64234057204793 10.811 > 33 84 B 0.56798744801767 0.63597489603534 0.64234057204793 10.811 > 33 85 B 0.43201255198233 0.36402510396466 0.35765942795207 10.811 > 37 86 B 0.93201255198233 0.36402510396466 0.35765942795207 10.811 > 37 87 B 0.43201255198233 0.86402510396466 0.35765942795207 10.811 > 37 88 B 0.93201255198233 0.86402510396466 0.35765942795207 10.811 > 37 89 B 0.43201255198233 0.06798744801767 0.35765942795207 10.811 > 41 90 B 0.93201255198233 0.06798744801767 0.35765942795207 10.811 > 41 91 B 0.43201255198233 0.56798744801767 0.35765942795207 10.811 > 41 92 B 0.93201255198233 0.56798744801767 0.35765942795207 10.811 > 41 93 B 0.13597489603534 0.06798744801767 0.35765942795207 10.811 > 45 94 B 0.63597489603534 0.06798744801767 0.35765942795207 10.811 > 45 95 B 0.13597489603534 0.56798744801767 0.35765942795207 10.811 > 45 96 B 0.63597489603534 0.56798744801767 0.35765942795207 10.811 > 45 97 B 0.10718481889551 0.39281518110449 0.77495153089616 10.811 > 1 98 B 0.60718481889551 0.39281518110449 0.77495153089616 10.811 > 1 99 B 0.10718481889551 0.89281518110449 0.77495153089616 10.811 > 1 100 B 0.60718481889551 0.89281518110449 0.77495153089616 10.811 > 1 101 B 0.28563036220899 0.39281518110449 0.77495153089616 10.811 > 5 102 B 0.78563036220899 0.39281518110449 0.77495153089616 10.811 > 5 103 B 0.28563036220899 0.89281518110449 0.77495153089616 10.811 > 5 104 B 0.78563036220899 0.89281518110449 0.77495153089616 10.811 > 5 105 B 0.10718481889551 0.21436963779101 0.77495153089616 10.811 > 9 106 B 0.60718481889551 0.21436963779101 0.77495153089616 10.811 > 9 107 B 0.10718481889551 0.71436963779101 0.77495153089616 10.811 > 9 108 B 0.60718481889551 0.71436963779101 0.77495153089616 10.811 > 9 109 B 0.05948184777116 0.11896369554232 0.89171513577050 10.811 > 13 110 B 0.55948184777116 0.11896369554232 0.89171513577050 10.811 > 13 111 B 0.05948184777116 0.61896369554232 0.89171513577050 10.811 > 13 112 B 0.55948184777116 0.61896369554232 0.89171513577050 10.811 > 13 113 B 0.05948184777116 0.44051815222884 0.89171513577050 10.811 > 17 114 B 0.55948184777116 0.44051815222884 0.89171513577050 10.811 > 17 115 B 0.05948184777116 0.94051815222884 0.89171513577050 10.811 > 17 116 B 0.55948184777116 0.94051815222884 0.89171513577050 10.811 > 17 117 B 0.38103630445768 0.44051815222884 0.89171513577050 10.811 > 21 118 B 0.88103630445768 0.44051815222884 0.89171513577050 10.811 > 21 119 B 0.38103630445768 0.94051815222884 0.89171513577050 10.811 > 21 120 B 0.88103630445768 0.94051815222884 0.89171513577050 10.811 > 21 121 B 0.40132078135100 0.09867921864900 0.97567390538127 10.811 > 25 122 B 0.90132078135100 0.09867921864900 0.97567390538127 10.811 > 25 123 B 0.40132078135100 0.59867921864900 0.97567390538127 10.811 > 25 124 B 0.90132078135100 0.59867921864900 0.97567390538127 10.811 > 25 125 B 0.19735843729799 0.09867921864900 0.97567390538127 10.811 > 29 126 B 0.69735843729799 0.09867921864900 0.97567390538127 10.811 > 29 127 B 0.19735843729799 0.59867921864900 0.97567390538127 10.811 > 29 128 B 0.69735843729799 0.59867921864900 0.97567390538127 10.811 > 29 129 B 0.40132078135100 0.30264156270201 0.97567390538127 10.811 > 33 130 B 0.90132078135100 0.30264156270201 0.97567390538127 10.811 > 33 131 B 0.40132078135100 0.80264156270201 0.97567390538127 10.811 > 33 132 B 0.90132078135100 0.80264156270201 0.97567390538127 10.811 > 33 133 B 0.26534588531566 0.03069177063133 0.69099276128540 10.811 > 37 134 B 0.76534588531566 0.03069177063133 0.69099276128540 10.811 > 37 135 B 0.26534588531566 0.53069177063133 0.69099276128540 10.811 > 37 136 B 0.76534588531566 0.53069177063133 0.69099276128540 10.811 > 37 137 B 0.26534588531566 0.23465411468434 0.69099276128540 10.811 > 41 138 B 0.76534588531566 0.23465411468434 0.69099276128540 10.811 > 41 139 B 0.26534588531566 0.73465411468434 0.69099276128540 10.811 > 41 140 B 0.76534588531566 0.73465411468434 0.69099276128540 10.811 > 41 141 B 0.46930822936867 0.23465411468434 0.69099276128540 10.811 > 45 142 B 0.96930822936867 0.23465411468434 0.69099276128540 10.811 > 45 143 B 0.46930822936867 0.73465411468434 0.69099276128540 10.811 > 45 144 B 0.96930822936867 0.73465411468434 0.69099276128540 10.811 > 45----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 10.5376037 -0.0000000 0.0000000 0.0000000 10.5376037 0.0000000 0.0000000 0.0000000 7.7352950-------------------------- Born effective charges -------------------------- 1 B -0.2612530 -0.0312624 -0.0181440 -0.0312624 -0.2973517 0.0104755 -0.2692962 0.1554783 0.0389266 2 B -0.2612530 0.0312624 0.0181440 0.0312624 -0.2973517 0.0104755 0.2692962 0.1554783 0.0389266 3 B -0.3154011 -0.0000000 0.0000000 -0.0000000 -0.2432036 -0.0209509 0.0000000 -0.3109565 0.0389266 4 B -0.3154011 -0.0000000 0.0000000 -0.0000000 -0.2432036 -0.0209509 0.0000000 -0.3109565 0.0389266 5 B -0.2612530 -0.0312624 -0.0181440 -0.0312624 -0.2973517 0.0104755 -0.2692962 0.1554783 0.0389266 6 B -0.2612530 0.0312624 0.0181440 0.0312624 -0.2973517 0.0104755 0.2692962 0.1554783 0.0389266 7 B 0.4571362 -0.3080173 0.0319273 -0.3080173 0.1014685 -0.0184332 -0.0556625 0.0321367 -0.0389266 8 B 0.4571362 0.3080173 -0.0319273 0.3080173 0.1014685 -0.0184332 0.0556625 0.0321367 -0.0389266 9 B -0.0763654 -0.0000000 -0.0000000 -0.0000000 0.6349701 0.0368664 0.0000000 -0.0642735 -0.0389266 10 B -0.0763654 -0.0000000 -0.0000000 -0.0000000 0.6349701 0.0368664 0.0000000 -0.0642735 -0.0389266 11 B 0.4571362 -0.3080173 0.0319273 -0.3080173 0.1014685 -0.0184332 -0.0556625 0.0321367 -0.0389266 12 B 0.4571362 0.3080173 -0.0319273 0.3080173 0.1014685 -0.0184332 0.0556625 0.0321367 -0.0389266----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000030 (yyy) 0.00000030 (yyy) 0.00000030 (yyy)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 12 12 12 ]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: 0.94, Number of G-points: 295, Lambda: 0.30Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/189) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 14.549 ( 0.000 0.000 0.000) 0.000 14.917 ( 0.000 0.000 0.000) 0.000 15.252 ( 0.000 0.000 0.000) 0.000 15.252 ( 0.000 0.000 0.000) 0.000 16.810 ( 0.000 0.000 0.000) 0.000 16.810 ( 0.000 0.000 0.000) 0.000 17.980 ( 0.000 0.000 0.000) 0.000 17.980 ( 0.000 0.000 0.000) 0.000 18.154 ( 0.000 0.000 0.000) 0.000 18.154 ( 0.000 0.000 0.000) 0.000 21.007 ( 0.000 0.000 0.000) 0.000 21.262 ( 0.000 0.000 0.000) 0.000 21.262 ( 0.000 0.000 0.000) 0.000 21.668 ( 0.000 0.000 0.000) 0.000 21.697 ( 0.000 0.000 0.000) 0.000 21.697 ( 0.000 0.000 0.000) 0.000 23.448 ( 0.000 0.000 0.000) 0.000 23.448 ( 0.000 0.000 0.000) 0.000 24.010 ( 0.000 0.000 0.000) 0.000 24.222 ( 0.000 0.000 0.000) 0.000 24.231 ( 0.000 0.000 0.000) 0.000 24.231 ( 0.000 0.000 0.000) 0.000 24.344 ( 0.000 0.000 0.000) 0.000 24.492 ( 0.000 0.000 0.000) 0.000 24.492 ( 0.000 0.000 0.000) 0.000 24.854 ( 0.000 0.000 0.000) 0.000 26.484 ( 0.000 0.000 0.000) 0.000 26.484 ( 0.000 0.000 0.000) 0.000 28.164 ( 0.000 0.000 0.000) 0.000 28.236 ( 0.000 0.000 0.000) 0.000 33.872 ( 0.000 0.000 0.000) 0.000 33.872 ( 0.000 0.000 0.000) 0.000 35.511 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/189) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 64.150 37.037 23.656) 77.760 1.889 ( 70.636 40.782 38.981) 90.400 2.863 ( 107.777 62.225 55.332) 136.196 14.187 ( -18.670 -10.779 -30.187) 37.095 14.830 ( -12.856 -7.422 21.113) 25.809 14.961 ( -15.222 -8.789 -26.386) 31.704 15.470 ( 14.093 8.136 0.730) 16.289 16.825 ( 0.377 0.217 2.368) 2.408 16.967 ( 3.772 2.178 21.433) 21.871 17.891 ( -8.035 -4.639 1.548) 9.406 17.974 ( 0.164 0.094 -3.195) 3.201 18.058 ( -8.090 -4.671 2.058) 9.566 18.145 ( -1.595 -0.921 2.648) 3.225 20.903 ( -17.598 -10.160 -30.359) 36.532 21.089 ( 5.833 3.368 -2.493) 7.182 21.268 ( 2.515 1.452 -7.176) 7.741 21.621 ( -3.728 -2.152 -1.248) 4.482 21.667 ( -3.852 -2.224 5.289) 6.911 21.904 ( 0.437 0.252 26.177) 26.182 23.320 ( -9.287 -5.362 -5.569) 12.084 23.406 ( -2.849 -1.645 0.406) 3.315 24.101 ( 6.429 3.712 -0.243) 7.427 24.121 ( -2.457 -1.418 -14.174) 14.456 24.222 ( -0.549 -0.317 0.891) 1.094 24.258 ( 1.057 0.610 2.854) 3.104 24.511 ( 8.708 5.027 0.920) 10.097 24.602 ( 8.990 5.190 1.025) 10.431 24.603 ( 3.750 2.165 3.274) 5.428 24.876 ( 1.549 0.894 11.160) 11.302 26.465 ( -0.938 -0.542 -2.254) 2.501 26.561 ( 6.734 3.888 -1.614) 7.941 28.133 ( -2.072 -1.196 -1.921) 3.068 28.230 ( -1.651 -0.953 2.822) 3.405 33.873 ( 0.156 0.090 -0.208) 0.275 33.912 ( 2.618 1.512 2.620) 4.000 35.484 ( -2.070 -1.195 -0.987) 2.586======================= Grid point 2 (3/189) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.223 ( 61.062 35.254 24.627) 74.686 3.716 ( 66.883 38.615 38.038) 86.090 5.606 ( 100.818 58.207 51.726) 127.389 13.395 ( -31.969 -18.457 -31.140) 48.294 14.318 ( -21.865 -12.624 -34.503) 42.754 14.643 ( -13.089 -7.557 13.189) 20.060 15.804 ( 14.150 8.170 0.604) 16.351 16.845 ( -1.067 -0.616 5.494) 5.630 17.130 ( -4.920 -2.841 21.038) 21.792 17.648 ( -14.260 -8.233 2.768) 16.697 17.858 ( -6.272 -3.621 -2.141) 7.552 17.968 ( -1.455 -0.840 2.477) 2.993 18.123 ( -2.008 -1.160 3.885) 4.525 20.265 ( -18.755 -10.828 -28.562) 35.844 21.253 ( 8.226 4.749 -1.643) 9.639 21.278 ( 3.632 2.097 -11.177) 11.938 21.492 ( -6.494 -3.749 -1.150) 7.586 21.610 ( -4.413 -2.548 7.460) 9.034 21.981 ( -6.977 -4.028 20.451) 21.981 22.974 ( -16.996 -9.812 -6.400) 20.642 23.361 ( -0.963 -0.556 0.629) 1.278 23.924 ( -6.953 -4.014 -11.909) 14.363 24.142 ( -2.065 -1.192 -0.864) 2.536 24.304 ( 0.532 0.307 4.413) 4.456 24.330 ( 8.233 4.753 1.914) 9.698 24.614 ( 2.875 1.660 -0.878) 3.434 24.751 ( 8.217 4.744 -5.151) 10.796 24.884 ( 13.907 8.029 2.212) 16.210 25.189 ( 14.819 8.556 20.055) 26.363 26.411 ( -1.939 -1.119 -4.260) 4.813 26.734 ( 9.064 5.233 -3.019) 10.892 28.067 ( -2.343 -1.353 -1.685) 3.187 28.191 ( -3.277 -1.892 2.162) 4.358 33.877 ( 0.287 0.165 -0.349) 0.481 34.021 ( 4.706 2.717 4.600) 7.120 35.405 ( -3.910 -2.257 -1.913) 4.903======================= Grid point 3 (4/189) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.728 ( 56.043 32.357 25.928) 69.714 5.421 ( 60.637 35.009 36.050) 78.753 8.099 ( 88.557 51.129 45.751) 112.025 12.357 ( -40.094 -23.148 -30.684) 55.542 13.550 ( -24.569 -14.185 -35.016) 45.066 14.428 ( -11.439 -6.604 7.024) 14.960 16.099 ( 11.942 6.895 -2.668) 14.046 16.845 ( -3.222 -1.860 8.953) 9.695 16.975 ( -15.991 -9.233 10.620) 21.301 17.301 ( -17.042 -9.839 2.864) 19.885 17.719 ( -4.769 -2.753 -11.101) 12.392 17.998 ( 0.212 0.123 13.246) 13.248 18.115 ( -0.809 -0.467 3.885) 3.995 19.749 ( -10.586 -6.112 -21.085) 24.372 21.256 ( -1.881 -1.086 -8.107) 8.393 21.348 ( -2.749 -1.587 -3.074) 4.419 21.385 ( 2.593 1.497 -2.025) 3.615 21.583 ( -1.858 -1.073 6.460) 6.807 21.875 ( -11.897 -6.869 13.807) 19.477 22.505 ( -18.861 -10.889 -5.622) 22.492 23.373 ( 1.342 0.775 0.996) 1.841 23.680 ( -7.145 -4.125 -10.295) 13.194 24.070 ( -3.479 -2.008 -0.600) 4.061 24.334 ( -0.154 -0.089 3.384) 3.389 24.534 ( 8.258 4.768 1.202) 9.611 24.691 ( 3.032 1.750 3.525) 4.968 24.899 ( 7.809 4.509 -5.707) 10.672 25.228 ( 13.888 8.018 3.593) 16.433 25.699 ( 17.880 10.323 16.104) 26.184 26.323 ( -2.777 -1.604 -5.764) 6.596 26.908 ( 7.979 4.607 -4.394) 10.208 28.012 ( -2.130 -1.230 0.722) 2.563 28.116 ( -3.752 -2.166 0.322) 4.344 33.882 ( 0.356 0.205 -0.385) 0.563 34.179 ( 6.030 3.482 5.632) 8.956 35.284 ( -5.338 -3.082 -2.737) 6.744======================= Grid point 4 (5/189) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.107 ( 49.258 28.439 26.926) 62.930 6.931 ( 51.183 29.551 32.080) 67.246 10.190 ( 69.222 39.966 36.920) 88.046 11.208 ( -41.983 -24.239 -30.037) 57.029 12.756 ( -25.023 -14.447 -31.911) 43.049 14.228 ( -8.744 -5.048 3.084) 10.557 16.297 ( 7.577 4.375 -5.304) 10.232 16.652 ( -15.460 -8.926 5.625) 18.716 16.781 ( -9.770 -5.640 7.204) 13.385 16.989 ( -9.115 -5.262 5.296) 11.782 17.453 ( -9.012 -5.203 -18.053) 20.838 18.126 ( 1.717 0.991 15.672) 15.797 18.137 ( 0.601 0.347 2.972) 3.052 19.536 ( 2.008 1.159 -14.169) 14.358 21.100 ( -6.154 -3.553 -4.076) 8.192 21.187 ( -22.081 -12.748 2.502) 25.619 21.326 ( 0.648 0.374 -2.284) 2.403 21.611 ( 1.285 0.742 3.052) 3.394 21.718 ( -4.772 -2.755 3.803) 6.695 22.134 ( -10.124 -5.845 -3.854) 12.309 23.425 ( 2.335 1.348 1.304) 2.994 23.490 ( -4.027 -2.325 -7.432) 8.767 23.984 ( -3.447 -1.990 -0.759) 4.052 24.346 ( -0.243 -0.141 1.826) 1.847 24.710 ( 6.430 3.712 0.605) 7.449 24.787 ( 2.414 1.394 5.957) 6.577 25.022 ( 6.092 3.517 -5.638) 9.015 25.540 ( 10.686 6.170 4.679) 13.197 26.182 ( 15.604 9.009 12.977) 22.205 26.214 ( -3.005 -1.735 -6.514) 7.381 27.021 ( 4.503 2.600 -5.999) 7.939 27.977 ( -2.782 -1.606 4.744) 5.729 28.039 ( -1.757 -1.014 -3.094) 3.700 33.887 ( 0.329 0.190 -0.317) 0.495 34.363 ( 6.668 3.850 5.784) 9.630 35.130 ( -6.251 -3.609 -3.444) 7.998======================= Grid point 5 (6/189) =======================q-point: ( 0.42 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.305 ( 39.394 22.744 25.260) 52.031 8.116 ( 34.495 19.915 22.820) 45.905 10.101 ( -36.839 -21.269 -26.812) 50.282 11.654 ( 38.649 22.314 25.592) 51.445 12.034 ( -19.264 -11.122 -26.225) 34.389 14.084 ( -4.851 -2.801 1.018) 5.693 16.383 ( 3.480 2.009 -5.184) 6.559 16.395 ( -8.876 -5.125 2.880) 10.646 16.543 ( -10.413 -6.012 3.410) 12.498 16.946 ( -1.175 -0.678 5.631) 5.792 17.143 ( -7.232 -4.176 -13.576) 15.939 18.173 ( 0.907 0.523 1.596) 1.909 18.260 ( 1.957 1.130 10.368) 10.612 19.623 ( 12.836 7.411 -12.080) 19.121 20.571 ( -30.520 -17.620 5.974) 35.744 20.960 ( -3.847 -2.221 -2.349) 5.025 21.327 ( 0.157 0.090 -0.272) 0.327 21.661 ( -2.203 -1.272 0.302) 2.561 21.664 ( 1.800 1.039 1.042) 2.325 21.966 ( -3.487 -2.013 -2.502) 4.740 23.397 ( -1.178 -0.680 -3.612) 3.859 23.483 ( 1.724 0.996 1.047) 2.250 23.913 ( -2.208 -1.275 -0.687) 2.641 24.350 ( -0.142 -0.082 0.756) 0.774 24.828 ( 3.555 2.052 0.219) 4.111 24.868 ( 1.354 0.782 4.572) 4.832 25.096 ( 3.230 1.865 -3.906) 5.400 25.764 ( 6.010 3.470 4.823) 8.452 26.109 ( -2.339 -1.350 -5.909) 6.497 26.571 ( 11.460 6.616 10.685) 17.008 27.018 ( -0.895 -0.517 -7.586) 7.656 27.947 ( -2.417 -1.395 4.851) 5.596 28.003 ( 0.284 0.164 -3.450) 3.466 33.892 ( 0.199 0.115 -0.177) 0.290 34.554 ( 6.686 3.860 5.241) 9.331 34.958 ( -6.519 -3.764 -3.957) 8.504======================= Grid point 6 (7/189) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 242Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.990 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 9.438 ( -0.000 -0.000 -0.000) 0.000 11.677 ( 0.000 0.000 0.000) 0.000 12.202 ( 0.000 0.000 0.000) 0.000 14.031 ( 0.000 0.000 0.000) 0.000 16.302 ( 0.000 0.000 0.000) 0.000 16.407 ( -0.000 -0.000 0.000) 0.000 16.424 ( 0.000 0.000 -0.000) 0.000 16.955 ( 0.000 0.000 0.000) 0.000 17.006 ( 0.000 0.000 0.000) 0.000 18.190 ( 0.000 0.000 0.000) 0.000 18.324 ( 0.000 0.000 0.000) 0.000 19.897 ( 0.000 0.000 0.000) 0.000 20.057 ( 0.000 0.000 0.000) 0.000 20.906 ( 0.000 0.000 0.000) 0.000 21.328 ( 0.000 0.000 0.000) 0.000 21.632 ( 0.000 0.000 0.000) 0.000 21.691 ( -0.000 -0.000 0.000) 0.000 21.921 ( 0.000 0.000 0.000) 0.000 23.374 ( 0.000 0.000 0.000) 0.000 23.507 ( 0.000 0.000 0.000) 0.000 23.884 ( 0.000 0.000 -0.000) 0.000 24.351 ( 0.000 0.000 0.000) 0.000 24.870 ( 0.000 0.000 0.000) 0.000 24.900 ( 0.000 0.000 0.000) 0.000 25.119 ( 0.000 0.000 0.000) 0.000 25.858 ( 0.000 0.000 0.000) 0.000 26.052 ( 0.000 0.000 -0.000) 0.000 26.802 ( 0.000 0.000 0.000) 0.000 26.918 ( 0.000 0.000 0.000) 0.000 27.936 ( -0.000 -0.000 0.000) 0.000 27.996 ( 0.000 0.000 0.000) 0.000 33.894 ( 0.000 0.000 0.000) 0.000 34.697 ( 0.000 0.000 0.000) 0.000 34.822 ( -0.000 -0.000 0.000) 0.000======================= Grid point 14 (8/189) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( 0.000 64.632 61.640) 89.313 2.257 ( 0.000 79.369 49.956) 93.782 3.189 ( 0.000 97.069 91.873) 133.652 13.968 ( -0.000 -18.225 -37.473) 41.670 14.708 ( -0.000 -20.159 -18.162) 27.134 14.984 ( -0.000 -8.614 -25.551) 26.964 15.440 ( 0.000 10.309 18.091) 20.822 16.878 ( 0.000 -4.388 14.268) 14.927 17.161 ( 0.000 8.824 27.678) 29.051 17.850 ( -0.000 -10.749 -2.435) 11.021 17.985 ( -0.000 -2.067 -0.288) 2.087 18.116 ( -0.000 -4.724 5.910) 7.566 18.153 ( 0.000 -2.083 3.628) 4.184 20.729 ( -0.000 -13.080 -36.542) 38.812 20.985 ( -0.000 -7.874 -23.046) 24.354 21.101 ( 0.000 6.876 -7.182) 9.943 21.591 ( -0.000 -4.256 -5.004) 6.569 21.793 ( 0.000 -9.720 22.704) 24.697 22.150 ( 0.000 9.402 29.862) 31.307 23.315 ( -0.000 -5.041 -7.197) 8.787 23.363 ( -0.000 -6.981 -1.554) 7.152 24.043 ( -0.000 5.185 -19.759) 20.428 24.096 ( 0.000 7.368 -0.394) 7.379 24.247 ( 0.000 -0.915 2.898) 3.040 24.251 ( 0.000 1.110 0.059) 1.112 24.472 ( -0.000 -0.536 -1.454) 1.549 24.571 ( 0.000 0.654 4.312) 4.362 24.687 ( 0.000 12.078 8.632) 14.845 24.979 ( 0.000 5.049 16.208) 16.976 26.452 ( -0.000 -0.790 -3.595) 3.681 26.537 ( 0.000 7.558 -4.085) 8.591 28.110 ( -0.000 -2.835 -3.556) 4.548 28.258 ( 0.000 -2.293 4.331) 4.901 33.895 ( 0.000 1.619 1.025) 1.916 33.915 ( 0.000 1.610 3.794) 4.121 35.475 ( -0.000 -2.320 -1.884) 2.989======================= Grid point 15 (9/189) =======================q-point: ( 0.17 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.276 ( 19.055 63.714 48.710) 82.433 3.687 ( 33.846 63.843 54.350) 90.418 5.312 ( 60.848 82.749 76.940) 128.334 13.364 ( -15.930 -24.853 -37.178) 47.473 14.220 ( -13.488 -17.504 -34.743) 41.176 14.678 ( -1.956 -13.040 -19.386) 23.445 15.733 ( 7.058 7.817 16.644) 19.697 16.923 ( -1.197 -5.193 16.488) 17.328 17.372 ( -5.715 2.278 22.498) 23.324 17.682 ( -4.064 -14.632 -1.133) 15.228 17.901 ( -3.730 -4.568 0.073) 5.898 18.088 ( -4.578 1.549 8.697) 9.949 18.158 ( -1.426 -2.511 5.511) 6.222 20.191 ( -13.140 -16.684 -33.079) 39.309 20.831 ( 14.113 -12.489 -31.486) 36.695 21.210 ( 4.473 9.644 -2.209) 10.858 21.476 ( -2.677 -5.980 -7.016) 9.600 21.805 ( -4.370 -9.744 23.450) 25.767 22.347 ( -9.987 9.995 23.551) 27.464 23.096 ( -12.555 -8.694 -4.051) 15.799 23.310 ( 2.039 -5.349 -2.065) 6.086 23.927 ( -4.400 1.077 -15.326) 15.982 24.175 ( -1.504 3.711 -1.027) 4.134 24.243 ( 3.602 -0.325 2.739) 4.536 24.333 ( 3.598 3.459 2.697) 5.673 24.475 ( 6.096 0.913 -11.207) 12.790 24.675 ( 5.769 0.705 6.754) 8.911 24.898 ( 2.892 13.708 8.851) 16.571 25.233 ( 7.223 10.588 18.951) 22.879 26.398 ( -1.468 -0.907 -5.668) 5.925 26.642 ( 5.776 8.292 -5.288) 11.405 28.050 ( -0.575 -2.798 -3.558) 4.563 28.237 ( -2.275 -3.080 3.518) 5.200 33.901 ( -1.487 1.708 1.581) 2.762 34.007 ( 3.837 2.824 5.052) 6.945 35.414 ( -2.046 -3.248 -2.654) 4.667======================= Grid point 16 (10/189) =======================q-point: ( 0.25 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.617 ( 32.492 54.604 41.236) 75.748 5.269 ( 41.574 52.286 50.273) 83.604 7.655 ( 69.684 65.909 61.952) 114.184 12.471 ( -28.209 -28.815 -35.156) 53.497 13.520 ( -19.057 -16.064 -38.251) 45.655 14.400 ( -0.611 -14.409 -17.352) 22.563 16.025 ( 6.937 6.906 12.133) 15.590 16.944 ( -2.794 -6.556 16.037) 17.550 17.252 ( -15.208 -7.819 11.261) 20.475 17.404 ( -9.385 -15.467 -1.031) 18.121 17.795 ( -9.048 2.976 -4.508) 10.538 18.122 ( -0.543 -3.319 5.391) 6.354 18.151 ( -2.963 2.871 16.343) 16.855 19.642 ( -7.798 -15.178 -23.985) 29.435 20.764 ( 18.894 -15.118 -33.549) 41.365 21.294 ( -4.015 -6.656 -7.471) 10.781 21.375 ( 3.864 8.552 -2.882) 9.817 21.782 ( -5.381 -8.776 22.953) 25.156 22.339 ( -19.337 11.061 18.114) 28.712 22.683 ( -18.967 -12.585 -2.570) 22.907 23.304 ( 3.551 -2.947 -1.782) 4.947 23.725 ( -7.258 -0.181 -13.260) 15.117 24.125 ( -4.270 -0.560 0.845) 4.388 24.333 ( 2.584 -1.351 2.857) 4.082 24.459 ( 5.407 4.391 3.139) 7.640 24.574 ( 10.865 4.212 -12.620) 17.177 24.814 ( 3.340 -0.107 9.103) 9.697 25.194 ( 9.112 14.329 6.102) 18.044 25.650 ( 13.263 11.904 16.904) 24.564 26.312 ( -2.375 -0.944 -7.273) 7.709 26.796 ( 7.273 6.823 -6.224) 11.755 27.998 ( 0.072 -2.512 -2.512) 3.553 28.170 ( -3.903 -3.580 2.601) 5.900 33.904 ( -1.366 1.706 1.616) 2.718 34.156 ( 5.325 3.615 5.927) 8.750 35.308 ( -3.849 -3.898 -3.270) 6.379======================= Grid point 17 (11/189) =======================q-point: ( 0.33 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.963 ( 35.375 46.259 37.152) 69.077 6.760 ( 40.228 42.068 44.942) 73.537 9.706 ( 61.719 43.013 43.801) 87.051 11.424 ( -33.924 -25.164 -31.126) 52.468 12.778 ( -20.707 -14.862 -34.646) 43.012 14.147 ( 1.316 -13.826 -17.685) 22.486 16.252 ( 4.144 4.977 9.082) 11.154 16.841 ( -11.690 -11.687 9.284) 18.959 16.996 ( -12.555 -4.352 7.356) 15.189 17.113 ( -8.147 -8.008 3.628) 11.986 17.538 ( -16.197 1.926 -12.229) 20.386 18.108 ( 2.006 -6.864 5.073) 8.768 18.272 ( -2.331 4.339 17.250) 17.939 19.359 ( 2.951 -7.872 -14.153) 16.461 20.720 ( 21.312 -19.332 -32.637) 43.510 21.099 ( -4.156 -6.968 -7.393) 10.976 21.429 ( -7.827 3.898 -1.774) 8.922 21.758 ( -4.381 -7.285 18.464) 20.327 22.034 ( -24.364 -7.796 8.214) 26.867 22.383 ( -13.711 8.721 5.823) 17.262 23.342 ( 4.350 -1.317 -1.907) 4.929 23.537 ( -5.597 2.163 -11.056) 12.579 24.046 ( -4.853 -1.288 2.163) 5.467 24.354 ( 0.461 -0.551 0.517) 0.885 24.631 ( 6.675 3.734 3.072) 8.242 24.715 ( 10.252 1.873 -10.175) 14.565 24.912 ( 2.222 -1.884 9.643) 10.073 25.530 ( 8.766 13.595 5.026) 16.939 26.101 ( 13.676 8.877 12.870) 20.771 26.211 ( -2.136 0.363 -6.696) 7.038 26.921 ( 5.679 4.374 -7.221) 10.175 27.971 ( 1.012 -2.201 -1.649) 2.930 28.078 ( -4.333 -3.508 2.076) 5.949 33.909 ( -1.269 1.643 1.678) 2.669 34.332 ( 6.107 3.957 5.919) 9.380 35.166 ( -5.245 -4.245 -3.736) 7.713======================= Grid point 18 (12/189) =======================q-point: ( 0.42 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.203 ( 31.814 39.011 33.958) 60.722 8.016 ( 30.308 30.501 37.463) 57.029 10.185 ( -25.114 -32.088 -27.622) 49.228 11.335 ( 31.915 27.191 9.546) 43.001 12.126 ( -15.515 -11.154 -13.563) 23.432 13.949 ( 4.646 -12.291 -17.606) 21.969 16.384 ( 0.716 2.755 7.232) 7.772 16.556 ( -13.086 -7.406 5.533) 16.022 16.781 ( -12.008 1.840 0.716) 12.169 17.038 ( -4.618 -0.323 8.654) 9.815 17.205 ( -13.413 0.410 -7.971) 15.608 18.121 ( 3.510 -7.382 4.558) 9.359 18.366 ( -2.824 3.205 12.117) 12.848 19.374 ( 11.866 0.546 -10.224) 15.672 20.674 ( 22.924 -24.178 -29.654) 44.603 20.922 ( -8.703 -9.259 -1.478) 12.793 21.014 ( -25.230 -10.609 -1.038) 27.390 21.735 ( -2.494 -4.482 9.864) 11.118 21.813 ( -4.330 2.616 1.108) 5.179 22.323 ( -15.326 15.291 11.974) 24.740 23.377 ( 1.118 1.460 -3.815) 4.235 23.452 ( 0.606 1.331 -6.087) 6.260 23.971 ( -4.474 -1.064 3.518) 5.790 24.357 ( 0.115 0.307 -0.594) 0.678 24.781 ( 4.931 2.601 1.216) 5.706 24.811 ( 7.675 -0.568 -8.962) 11.813 24.985 ( 2.446 -4.244 9.659) 10.830 25.804 ( 4.550 11.586 4.233) 13.147 26.100 ( -2.270 -0.201 -6.982) 7.345 26.510 ( 12.072 7.040 11.646) 18.191 26.963 ( 1.523 1.466 -8.202) 8.470 27.958 ( 1.008 -1.492 -3.862) 4.261 27.998 ( -2.563 -3.323 4.039) 5.825 33.915 ( -1.264 1.509 1.788) 2.659 34.516 ( 6.373 3.976 5.204) 9.138 35.000 ( -6.095 -4.314 -4.026) 8.484======================= Grid point 19 (13/189) =======================q-point: ( 0.50 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.145 ( 6.149 27.320 18.282) 33.443 8.750 ( 2.475 11.865 21.400) 24.594 9.338 ( -8.649 -22.477 -15.138) 28.446 11.498 ( 4.536 3.524 -32.607) 33.109 12.222 ( 6.588 -5.495 24.378) 25.843 13.840 ( 8.991 -9.737 -17.089) 21.626 16.357 ( -6.055 -2.551 1.571) 6.755 16.453 ( -1.772 2.755 7.868) 8.522 16.663 ( -12.268 14.111 1.608) 18.768 17.014 ( -4.737 1.901 6.458) 8.231 17.049 ( -4.101 1.900 3.242) 5.562 18.129 ( 3.298 -8.183 2.371) 9.136 18.387 ( -4.670 2.184 4.257) 6.685 19.643 ( 21.354 9.421 -7.443) 24.498 20.312 ( -26.627 -20.317 4.974) 33.860 20.649 ( 24.288 -24.960 -24.768) 42.736 20.870 ( 1.430 -2.260 -4.383) 5.135 21.711 ( -2.265 0.165 1.582) 2.768 21.812 ( -2.153 3.449 2.675) 4.867 22.304 ( -15.610 15.995 14.785) 26.798 23.380 ( -0.168 3.600 -2.943) 4.653 23.462 ( 2.752 -0.657 -4.113) 4.992 23.927 ( -2.907 -0.282 4.714) 5.545 24.357 ( -0.198 0.895 -1.019) 1.370 24.822 ( 4.640 -3.501 -9.809) 11.402 24.879 ( 1.853 2.040 0.084) 2.757 25.040 ( 2.478 -6.533 9.755) 11.999 25.937 ( -2.611 8.203 -2.859) 9.070 26.060 ( 0.682 1.790 1.273) 2.300 26.780 ( 4.023 -0.045 4.176) 5.798 26.914 ( 0.258 2.173 -3.547) 4.168 27.914 ( -0.192 -0.903 -5.091) 5.174 27.989 ( 0.791 -2.781 4.097) 5.014 33.919 ( -1.353 1.333 1.912) 2.695 34.683 ( 4.152 2.869 2.466) 5.618 34.834 ( -4.258 -3.271 -2.548) 5.944======================= Grid point 20 (14/189) =======================q-point: (-0.42 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.735 ( -43.574 -7.637 -19.134) 48.199 8.497 ( -36.726 -8.500 -4.666) 37.984 9.755 ( 39.477 10.008 23.884) 47.212 11.590 ( 6.913 4.097 -27.345) 28.502 12.171 ( -6.100 -11.755 24.474) 27.827 13.837 ( 13.464 -6.878 -16.905) 22.679 16.319 ( 2.036 1.174 -0.746) 2.466 16.497 ( -2.449 0.846 9.867) 10.202 16.648 ( -9.643 19.407 0.970) 21.692 16.967 ( -5.208 3.046 -0.898) 6.100 17.172 ( 5.986 4.622 16.555) 18.201 18.096 ( 2.426 -8.681 -1.697) 9.172 18.305 ( -7.416 2.037 -2.548) 8.102 19.804 ( -13.950 -18.428 5.854) 23.842 20.191 ( 30.082 17.190 -3.591) 34.832 20.692 ( 25.603 -20.786 -22.616) 39.988 20.901 ( 5.422 0.612 -1.423) 5.639 21.687 ( -1.129 -0.599 0.868) 1.545 21.825 ( -2.878 2.781 4.386) 5.937 22.295 ( -14.338 14.838 13.432) 24.621 23.404 ( 0.859 1.567 -1.199) 2.152 23.470 ( 0.974 1.825 -2.819) 3.496 23.931 ( -0.674 0.743 4.793) 4.897 24.353 ( -0.523 1.028 -1.339) 1.767 24.766 ( 2.298 -5.812 -10.147) 11.918 24.896 ( -1.471 1.238 -0.821) 2.090 25.063 ( 0.975 -8.222 9.377) 12.509 25.880 ( -7.279 5.408 -5.074) 10.392 26.135 ( 1.277 2.806 5.336) 6.162 26.625 ( -9.558 -5.664 -8.728) 14.129 27.041 ( 3.399 1.993 6.624) 7.708 27.881 ( 1.490 -0.327 -5.975) 6.167 28.009 ( 1.165 -1.940 3.632) 4.279 33.920 ( -1.492 1.158 2.014) 2.761 34.599 ( -6.810 -3.372 -5.008) 9.101 34.905 ( 6.507 2.859 3.656) 7.993======================= Grid point 21 (15/189) =======================q-point: (-0.33 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.661 ( -53.941 -11.980 -18.947) 58.413 7.477 ( -56.411 -16.144 -15.447) 60.675 10.514 ( -11.879 -23.344 -6.240) 26.926 11.042 ( 2.334 11.065 2.675) 11.621 12.635 ( 26.358 10.955 26.823) 39.169 13.934 ( 17.141 -3.787 -17.375) 24.700 16.402 ( 2.367 -2.095 3.418) 4.655 16.518 ( 0.169 3.444 3.515) 4.924 16.735 ( 0.502 12.484 -0.783) 12.519 16.929 ( -0.338 5.299 -2.625) 5.923 17.505 ( 8.573 9.084 19.269) 22.963 18.026 ( 1.389 -5.193 -7.874) 9.534 18.171 ( -6.625 0.491 -3.002) 7.290 19.559 ( 0.030 -14.265 6.272) 15.583 20.746 ( 22.943 -8.742 -17.072) 29.904 20.901 ( 24.827 7.588 -6.786) 26.833 21.067 ( 12.191 10.119 -0.486) 15.851 21.678 ( -0.517 -3.873 7.562) 8.512 21.829 ( -1.870 0.848 5.345) 5.725 22.291 ( -9.981 12.792 8.091) 18.131 23.390 ( 0.177 -2.730 -2.995) 4.056 23.539 ( 1.914 7.416 2.544) 8.070 23.979 ( 1.321 1.715 3.695) 4.283 24.340 ( -0.674 0.656 -1.860) 2.084 24.661 ( 0.630 -7.381 -8.890) 11.572 24.848 ( -4.501 1.695 -2.113) 5.253 25.031 ( -1.479 -9.758 9.038) 13.382 25.729 ( -12.778 3.484 -2.532) 13.485 26.215 ( 0.229 0.022 2.165) 2.177 26.294 ( -12.802 -5.081 -8.028) 15.942 27.096 ( -2.079 -1.129 5.015) 5.545 27.887 ( 3.811 0.392 -5.662) 6.836 28.040 ( 1.480 -0.755 3.121) 3.535 33.917 ( -1.614 1.016 2.047) 2.798 34.409 ( -7.220 -3.438 -5.294) 9.591 35.071 ( 6.805 2.740 2.911) 7.893======================= Grid point 22 (16/189) =======================q-point: (-0.25 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.424 ( -63.142 -12.594 -14.952) 66.099 6.128 ( -69.244 -16.054 -15.984) 72.855 8.944 ( -85.447 -34.550 -28.670) 96.523 11.992 ( 45.709 16.704 22.688) 53.694 13.410 ( 29.412 10.123 26.446) 40.828 14.103 ( 18.841 -0.550 -18.308) 26.277 16.270 ( -12.403 -5.796 3.078) 14.032 16.689 ( 12.116 2.012 -3.828) 12.865 16.859 ( 3.248 7.299 0.172) 7.990 17.090 ( 12.565 6.629 -1.261) 14.263 17.785 ( 0.515 7.340 6.525) 9.835 17.953 ( 0.683 0.810 -7.348) 7.424 18.085 ( -1.441 -1.433 1.257) 2.389 19.644 ( 15.682 -6.387 11.850) 20.668 20.866 ( 19.070 -7.919 -22.278) 30.375 21.182 ( 10.992 1.493 1.440) 11.186 21.421 ( 5.685 9.161 -2.889) 11.162 21.666 ( -3.693 -3.212 7.996) 9.376 21.939 ( 3.799 7.937 9.027) 12.606 22.370 ( 6.641 8.447 2.766) 11.095 23.339 ( -0.084 -2.950 -2.791) 4.062 23.702 ( 4.887 8.187 5.091) 10.809 24.052 ( 2.402 2.293 2.355) 4.071 24.316 ( -0.751 -0.330 -2.495) 2.626 24.530 ( -1.501 -7.362 -6.009) 9.621 24.759 ( -5.888 3.106 -3.761) 7.646 24.945 ( -3.919 -10.285 9.241) 14.371 25.482 ( -17.699 1.016 0.542) 17.736 25.829 ( -19.122 -8.061 -13.001) 24.488 26.327 ( 2.694 2.099 3.780) 5.094 27.025 ( -6.702 -2.646 2.998) 7.804 27.938 ( 4.943 0.481 -3.504) 6.078 28.088 ( 2.337 0.472 1.899) 3.048 33.912 ( -1.646 0.898 1.942) 2.699 34.221 ( -6.858 -2.961 -4.850) 8.906 35.224 ( 6.376 2.077 1.989) 6.994======================= Grid point 23 (17/189) =======================q-point: (-0.17 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.073 ( -71.257 -10.623 -9.753) 72.702 4.624 ( -80.002 -10.628 -10.556) 81.392 6.772 (-109.823 -27.151 -23.194) 115.482 13.047 ( 44.603 10.511 17.544) 49.068 14.124 ( 25.902 1.571 16.710) 30.865 14.341 ( 21.152 5.928 -12.137) 25.096 15.972 ( -15.196 -5.488 -2.005) 16.281 16.838 ( 3.896 -2.190 7.863) 9.045 16.974 ( 4.053 6.233 -12.309) 14.380 17.399 ( 17.554 3.065 -1.351) 17.871 17.797 ( 1.148 3.561 -4.670) 5.984 17.980 ( 2.022 -0.611 1.182) 2.420 18.088 ( -0.498 1.177 1.139) 1.712 20.101 ( 26.908 1.831 16.756) 31.751 20.958 ( 14.970 -4.437 -18.984) 24.580 21.381 ( 8.242 1.255 1.783) 8.526 21.400 ( -7.576 0.200 -0.005) 7.579 21.656 ( 1.579 -4.924 8.672) 10.097 22.015 ( -7.922 10.325 -3.068) 13.371 22.760 ( 22.287 6.122 4.080) 23.470 23.305 ( 1.428 -2.221 -2.160) 3.412 23.916 ( 7.454 5.727 5.067) 10.678 24.131 ( 2.475 2.347 1.396) 3.685 24.274 ( -0.966 -2.015 -2.354) 3.246 24.387 ( -4.775 -4.288 -3.011) 7.089 24.673 ( -4.741 3.714 -4.262) 7.378 24.831 ( -5.368 -8.276 9.224) 13.505 25.168 ( -20.374 -1.725 5.041) 21.059 25.315 ( -21.143 -4.618 -15.897) 26.852 26.408 ( 2.405 1.144 2.158) 3.428 26.873 ( -9.419 -2.306 1.392) 9.797 28.012 ( 4.901 0.332 -0.871) 4.989 28.147 ( 2.739 0.741 0.293) 2.852 33.905 ( -1.518 0.706 1.517) 2.259 34.059 ( -5.868 -1.971 -3.372) 7.049 35.352 ( 5.411 1.131 1.010) 5.620======================= Grid point 24 (18/189) =======================q-point: (-0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.699 ( -77.073 0.000 0.000) 77.073 3.090 ( -87.530 0.000 0.000) 87.530 4.490 (-125.925 0.000 0.000) 125.925 13.879 ( 36.428 -0.000 -0.000) 36.428 14.477 ( 17.385 -0.000 -0.000) 17.385 14.803 ( 23.416 -0.000 -0.000) 23.416 15.661 ( -15.583 0.000 0.000) 15.583 16.898 ( -1.600 0.000 0.000) 1.600 16.917 ( -3.637 0.000 0.000) 3.637 17.696 ( 15.264 -0.000 -0.000) 15.264 17.911 ( 9.958 -0.000 -0.000) 9.958 17.999 ( -0.423 0.000 0.000) 0.423 18.103 ( 1.879 -0.000 -0.000) 1.879 20.696 ( 28.858 -0.000 -0.000) 28.858 21.064 ( 10.287 -0.000 -0.000) 10.287 21.225 ( -9.888 0.000 0.000) 9.888 21.540 ( 7.164 -0.000 -0.000) 7.164 21.711 ( 2.619 -0.000 -0.000) 2.619 21.887 ( -9.578 0.000 0.000) 9.578 23.158 ( 16.885 -0.000 -0.000) 16.885 23.328 ( 3.756 -0.000 -0.000) 3.756 24.101 ( 7.366 -0.000 -0.000) 7.366 24.194 ( 2.203 -0.000 -0.000) 2.203 24.203 ( -5.239 0.000 0.000) 5.239 24.271 ( -3.666 0.000 0.000) 3.666 24.606 ( -3.881 0.000 0.000) 3.881 24.732 ( -6.511 0.000 0.000) 6.511 24.800 ( -21.695 0.000 0.000) 21.695 24.923 ( -12.386 0.000 0.000) 12.386 26.456 ( 1.636 -0.000 -0.000) 1.636 26.695 ( -9.899 0.000 0.000) 9.899 28.091 ( 4.015 -0.000 -0.000) 4.015 28.194 ( 2.209 -0.000 -0.000) 2.209 33.892 ( -1.125 0.000 0.000) 1.125 33.948 ( -4.282 0.000 0.000) 4.282 35.441 ( 3.937 -0.000 -0.000) 3.937======================= Grid point 27 (19/189) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.152 ( 0.000 58.353 57.664) 82.038 4.437 ( 0.000 74.624 48.296) 88.889 6.226 ( 0.000 89.312 86.091) 124.049 12.967 ( -0.000 -30.352 -39.121) 49.514 13.961 ( -0.000 -18.381 -32.166) 37.047 14.303 ( -0.000 -15.949 -37.433) 40.689 15.904 ( 0.000 6.169 25.432) 26.169 16.986 ( 0.000 -7.476 18.079) 19.564 17.473 ( -0.000 -12.559 -2.980) 12.907 17.680 ( 0.000 -3.376 19.172) 19.467 17.843 ( -0.000 -11.325 3.041) 11.726 18.204 ( 0.000 3.291 6.659) 7.428 18.232 ( 0.000 2.231 11.544) 11.758 19.926 ( -0.000 -17.755 -35.431) 39.630 20.291 ( -0.000 -21.043 -31.282) 37.701 21.265 ( 0.000 11.058 -1.581) 11.170 21.376 ( -0.000 -7.732 -9.146) 11.976 21.888 ( 0.000 -8.097 19.130) 20.773 22.668 ( 0.000 8.295 13.232) 15.617 23.179 ( -0.000 -11.850 3.472) 12.348 23.202 ( 0.000 0.846 4.462) 4.542 23.842 ( -0.000 -7.346 -12.857) 14.808 24.231 ( 0.000 2.870 2.459) 3.779 24.243 ( -0.000 10.728 -17.843) 20.820 24.311 ( 0.000 6.130 2.588) 6.654 24.397 ( -0.000 -1.580 0.463) 1.646 24.660 ( 0.000 -0.562 7.404) 7.425 25.093 ( 0.000 14.881 9.146) 17.466 25.396 ( 0.000 10.874 18.245) 21.239 26.357 ( -0.000 -1.752 -6.771) 6.994 26.643 ( 0.000 10.218 -7.409) 12.621 27.998 ( -0.000 -3.395 -3.514) 4.886 28.243 ( -0.000 -4.132 2.953) 5.079 33.962 ( 0.000 3.042 1.914) 3.594 34.029 ( 0.000 2.794 6.471) 7.048 35.376 ( -0.000 -3.994 -3.207) 5.122======================= Grid point 28 (20/189) =======================q-point: ( 0.25 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.150 ( 9.900 56.386 50.228) 76.159 5.658 ( 20.298 63.926 49.763) 83.516 7.932 ( 33.067 76.801 75.137) 112.416 12.275 ( -13.291 -33.250 -37.570) 51.901 13.404 ( -15.135 -16.470 -36.029) 42.407 13.980 ( 8.079 -18.297 -34.197) 39.617 16.143 ( 1.687 5.359 22.912) 23.591 17.011 ( -1.385 -9.239 16.601) 19.049 17.261 ( -3.053 -16.316 -5.659) 17.538 17.559 ( -13.686 -8.272 10.421) 19.087 17.862 ( 2.943 -5.757 6.796) 9.380 18.198 ( -8.336 1.712 1.537) 8.648 18.352 ( -0.843 4.817 15.778) 16.518 19.434 ( -7.255 -17.984 -24.197) 31.009 20.037 ( 16.951 -21.401 -34.343) 43.872 21.209 ( -1.927 -8.797 -10.399) 13.757 21.390 ( 3.276 9.584 -1.587) 10.252 21.913 ( -3.279 -5.045 16.309) 17.384 22.711 ( -4.969 3.462 0.039) 6.056 22.949 ( -18.375 -10.424 11.424) 24.017 23.261 ( -2.172 1.742 7.855) 8.334 23.657 ( 0.007 -10.238 -12.534) 16.184 24.203 ( -3.323 7.010 -9.152) 11.998 24.313 ( 1.309 2.520 3.569) 4.561 24.398 ( 4.954 4.907 -7.170) 10.002 24.459 ( 3.618 5.095 3.052) 6.954 24.783 ( 7.561 0.496 7.184) 10.442 25.288 ( 1.125 13.061 8.139) 15.431 25.698 ( 7.997 11.684 16.225) 21.534 26.279 ( -1.081 -1.726 -8.216) 8.464 26.726 ( 4.100 9.007 -8.372) 12.962 27.946 ( 0.333 -3.225 -2.503) 4.096 28.197 ( -2.074 -4.656 1.991) 5.472 33.978 ( -2.542 3.058 2.737) 4.827 34.149 ( 4.263 3.497 6.426) 8.467 35.294 ( -2.017 -4.432 -3.574) 6.040======================= Grid point 29 (21/189) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 868Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.256 ( 20.372 50.229 43.484) 69.490 6.965 ( 26.492 51.481 47.373) 74.808 9.644 ( 35.411 50.815 53.643) 81.937 11.426 ( -20.069 -26.914 -30.554) 45.394 12.727 ( -17.497 -14.165 -34.478) 41.177 13.724 ( 8.598 -18.562 -30.986) 37.130 16.352 ( 0.960 3.544 18.453) 18.815 16.947 ( -6.316 -11.782 11.468) 17.613 17.010 ( -3.459 -12.573 -6.477) 14.559 17.330 ( -12.938 -2.730 11.887) 17.780 17.803 ( -13.518 2.535 -2.845) 14.045 18.019 ( -1.692 -10.302 -0.135) 10.440 18.482 ( -1.939 4.480 15.222) 15.985 19.127 ( 1.892 -12.083 -8.906) 15.129 19.923 ( 20.177 -21.150 -34.808) 45.453 21.014 ( -2.048 -8.775 -10.511) 13.845 21.521 ( 2.706 6.989 -1.196) 7.589 21.882 ( -6.876 -4.122 10.605) 13.294 22.425 ( -26.197 -14.730 8.541) 31.245 22.709 ( -8.726 6.413 3.760) 11.463 23.297 ( 0.144 1.176 4.923) 5.063 23.500 ( 0.099 -5.280 -11.265) 12.441 24.145 ( -5.027 3.523 -2.097) 6.487 24.328 ( 0.348 0.435 -2.484) 2.545 24.518 ( 6.385 2.758 -5.710) 8.999 24.610 ( 4.918 6.666 3.975) 9.188 24.949 ( 3.203 1.114 9.210) 9.814 25.535 ( 8.174 11.326 5.687) 15.081 26.066 ( 9.675 7.990 11.047) 16.718 26.195 ( 0.037 1.031 -6.177) 6.263 26.828 ( 5.050 6.562 -8.873) 12.136 27.914 ( 0.970 -2.981 -1.483) 3.468 28.115 ( -3.233 -4.622 1.256) 5.778 33.982 ( -2.641 2.862 3.012) 4.923 34.311 ( 5.437 3.815 5.985) 8.941 35.175 ( -3.809 -4.566 -3.782) 7.047======================= Grid point 30 (22/189) =======================q-point: ( 0.42 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.380 ( 25.298 41.651 38.314) 61.990 8.153 ( 24.343 37.850 40.949) 60.844 10.102 ( -19.755 -21.723 -17.140) 33.999 11.278 ( 13.327 22.253 10.494) 27.981 12.142 ( -10.947 -9.553 -17.178) 22.498 13.504 ( 10.240 -17.692 -28.364) 34.962 16.475 ( -1.271 0.021 12.883) 12.945 16.733 ( -10.538 -8.235 5.533) 14.474 16.851 ( -1.786 -3.023 -4.625) 5.807 17.244 ( -8.035 2.394 12.997) 15.467 17.508 ( -17.662 7.378 -2.746) 19.337 17.979 ( 4.803 -11.530 4.570) 13.301 18.561 ( -4.811 3.836 12.569) 13.994 19.105 ( 10.568 -6.104 -4.747) 13.095 19.824 ( 20.542 -23.369 -33.843) 45.972 20.846 ( -0.214 -7.122 -9.172) 11.614 21.449 ( -28.777 -6.699 3.634) 29.769 21.680 ( 1.217 -11.843 0.901) 11.939 22.045 ( -13.307 5.364 6.544) 15.769 22.684 ( -5.839 5.161 6.658) 10.250 23.340 ( 3.572 -1.846 -3.471) 5.311 23.421 ( -1.464 2.390 -2.036) 3.464 24.079 ( -5.469 1.082 2.851) 6.262 24.325 ( 1.824 0.883 -5.631) 5.985 24.581 ( 5.739 -1.526 -7.234) 9.360 24.779 ( 3.635 6.442 2.699) 7.874 25.040 ( -0.766 0.140 11.521) 11.547 25.824 ( 8.690 9.351 3.691) 13.289 26.077 ( -0.921 -0.332 -8.200) 8.258 26.459 ( 10.941 6.994 11.633) 17.434 26.893 ( 3.048 4.243 -9.161) 10.546 27.896 ( 1.226 -2.756 -1.656) 3.441 28.024 ( -2.809 -4.212 1.323) 5.233 33.985 ( -2.534 2.578 3.096) 4.760 34.484 ( 5.921 3.778 5.025) 8.636 35.027 ( -5.217 -4.469 -3.846) 7.873======================= Grid point 31 (23/189) =======================q-point: ( 0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 868Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.431 ( 25.636 33.735 33.631) 54.095 8.883 ( 0.841 2.050 5.047) 5.512 9.366 ( -24.245 -3.718 3.175) 24.733 11.311 ( -4.029 4.802 -29.898) 30.548 12.167 ( 7.713 -7.634 16.979) 20.151 13.363 ( 13.597 -15.465 -25.513) 32.786 16.440 ( -6.237 -4.577 3.032) 8.309 16.608 ( -4.859 -0.161 11.958) 12.908 16.840 ( 1.579 6.433 -2.181) 6.974 17.197 ( -8.504 3.641 3.971) 10.067 17.426 ( -14.577 20.869 14.678) 29.385 17.974 ( 4.235 -11.387 3.268) 12.581 18.567 ( -6.729 3.469 8.896) 11.682 19.304 ( 20.267 0.184 -4.154) 20.690 19.715 ( 21.653 -27.439 -32.090) 47.450 20.735 ( -33.217 -18.513 6.442) 38.569 20.759 ( 2.937 -4.099 -8.131) 9.568 21.661 ( 2.967 -6.175 -1.952) 7.124 22.004 ( -7.701 12.141 2.018) 14.518 22.681 ( -6.246 3.499 9.475) 11.875 23.337 ( 4.377 -2.613 -8.062) 9.538 23.457 ( -1.867 6.307 4.363) 7.893 24.025 ( -4.542 0.045 5.343) 7.013 24.334 ( 2.424 1.155 -5.832) 6.421 24.592 ( 5.228 -4.452 -8.682) 11.069 24.877 ( 1.387 2.755 0.039) 3.085 25.095 ( -2.254 0.385 12.426) 12.634 25.995 ( 0.093 4.801 -6.556) 8.126 26.067 ( 4.120 3.539 2.555) 6.002 26.729 ( 5.984 0.102 6.879) 9.118 26.904 ( 1.455 4.907 -6.089) 7.954 27.868 ( 0.115 -1.965 -3.965) 4.427 27.971 ( 0.010 -3.902 2.856) 4.835 33.987 ( -2.439 2.232 3.087) 4.523 34.649 ( 5.575 3.507 3.255) 7.346 34.863 ( -5.626 -4.205 -3.298) 7.759======================= Grid point 32 (24/189) =======================q-point: (-0.42 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.248 ( -35.218 -10.731 -21.231) 42.499 9.072 ( -28.258 -1.789 4.643) 28.692 9.435 ( 23.908 21.341 34.113) 46.805 11.337 ( 12.056 11.616 -18.049) 24.618 12.174 ( 2.090 -17.503 10.927) 20.740 13.320 ( 17.396 -13.548 -23.779) 32.428 16.326 ( -3.161 -1.622 0.166) 3.557 16.638 ( -2.869 0.155 13.714) 14.012 16.957 ( -4.168 12.773 -3.603) 13.910 17.163 ( 0.039 9.458 5.951) 11.174 17.447 ( -20.661 18.339 17.842) 32.887 17.936 ( 3.079 -11.050 0.311) 11.475 18.503 ( -11.163 3.809 4.948) 12.791 19.540 ( 12.727 -33.400 -24.188) 43.158 19.776 ( 32.545 7.576 -2.591) 33.515 20.233 ( -6.473 -10.076 1.627) 12.086 20.786 ( 6.459 0.163 -2.942) 7.099 21.624 ( 2.705 -6.693 -3.624) 8.077 22.009 ( -7.348 11.370 1.422) 13.612 22.655 ( -7.545 1.991 9.687) 12.439 23.339 ( 3.518 -2.062 -5.551) 6.888 23.522 ( -1.426 7.320 3.517) 8.246 24.000 ( -2.655 0.361 5.474) 6.094 24.347 ( 1.720 0.855 -4.434) 4.832 24.555 ( 3.717 -6.202 -9.584) 12.005 24.896 ( 0.487 -1.162 -0.149) 1.268 25.126 ( -3.944 0.759 10.175) 10.939 25.980 ( -1.977 5.048 -5.191) 7.505 26.174 ( 1.644 2.161 3.340) 4.304 26.671 ( -6.882 -3.973 -5.305) 9.555 27.033 ( 5.035 3.576 4.394) 7.580 27.819 ( 0.160 -1.302 -5.072) 5.239 27.978 ( 2.003 -2.913 2.926) 4.589 33.986 ( -2.378 1.864 2.950) 4.223 34.654 ( -6.493 -2.310 -4.322) 8.134 34.842 ( 5.975 1.549 3.130) 6.920======================= Grid point 33 (25/189) =======================q-point: (-0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 868Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.352 ( -46.706 -5.797 -14.389) 49.215 8.261 ( -53.740 -7.130 -4.537) 54.401 10.277 ( 25.418 8.186 22.761) 35.087 11.182 ( -15.759 -8.122 -19.144) 26.092 12.439 ( 24.364 5.713 20.096) 32.095 13.383 ( 22.103 -10.655 -22.529) 33.311 16.319 ( 3.330 -0.035 -0.500) 3.367 16.663 ( -6.145 0.839 10.310) 12.032 16.876 ( -4.880 4.237 -4.824) 8.065 17.222 ( -22.561 19.175 2.316) 29.699 17.586 ( 9.691 10.973 22.260) 26.642 17.883 ( 3.035 -7.556 -2.839) 8.624 18.335 ( -12.257 1.017 0.374) 12.304 19.257 ( 9.120 -28.173 -13.470) 32.532 20.206 ( 17.623 -7.696 -7.776) 20.743 20.504 ( 30.399 11.503 0.753) 32.511 20.963 ( 11.561 8.346 1.627) 14.351 21.590 ( 4.955 -8.720 -1.326) 10.116 21.976 ( -8.443 7.205 0.703) 11.122 22.594 ( -8.387 1.823 7.772) 11.579 23.333 ( 1.527 -2.008 -3.489) 4.305 23.606 ( 0.482 7.261 2.721) 7.769 24.014 ( -0.541 1.425 4.043) 4.321 24.347 ( 0.101 0.498 -2.453) 2.505 24.478 ( 2.772 -7.123 -9.138) 11.913 24.879 ( -0.728 -2.013 0.308) 2.162 25.105 ( -5.637 -0.142 7.147) 9.103 25.933 ( -7.277 4.459 -1.595) 8.682 26.221 ( 0.743 -0.262 1.141) 1.387 26.420 ( -12.292 -3.793 -5.555) 14.012 27.134 ( 0.801 0.451 3.716) 3.828 27.796 ( 2.340 -0.516 -4.484) 5.084 28.012 ( 2.428 -1.516 2.156) 3.584 33.981 ( -2.315 1.467 2.582) 3.766 34.474 ( -7.688 -2.579 -4.096) 9.085 34.992 ( 6.941 1.746 2.164) 7.477======================= Grid point 34 (26/189) =======================q-point: (-0.25 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.331 ( -58.843 -3.565 -7.483) 59.424 7.140 ( -65.867 -4.772 -4.236) 66.175 9.849 ( -61.907 -15.169 -10.265) 64.559 11.466 ( 41.507 8.187 9.837) 43.435 13.139 ( 29.786 8.262 20.483) 37.081 13.559 ( 24.873 -6.585 -20.709) 33.029 16.393 ( 0.978 -1.428 1.116) 2.059 16.564 ( -4.071 0.750 -0.962) 4.250 16.894 ( 1.842 2.434 2.578) 3.995 17.075 ( -6.735 6.404 0.200) 9.296 17.861 ( 3.609 -3.251 -1.640) 5.127 17.939 ( -2.206 11.149 7.280) 13.497 18.169 ( -5.391 0.298 2.545) 5.969 19.229 ( 21.951 -14.853 -4.265) 26.845 20.399 ( 17.043 -3.199 -7.580) 18.925 20.961 ( 16.875 1.062 -0.531) 16.917 21.366 ( 11.281 14.071 -1.245) 18.078 21.683 ( 17.801 -6.480 8.291) 20.679 21.871 ( -7.321 1.580 -2.278) 7.829 22.511 ( -8.084 2.314 3.758) 9.210 23.306 ( -0.326 -1.537 -1.864) 2.438 23.717 ( 3.592 4.902 1.905) 6.369 24.059 ( 1.176 1.966 2.107) 3.112 24.319 ( -1.773 -0.787 -1.300) 2.335 24.413 ( 2.716 -4.561 -5.478) 7.629 24.831 ( -3.146 -1.005 -0.194) 3.308 25.032 ( -6.541 -0.983 4.602) 8.058 25.783 ( -13.881 1.814 1.729) 14.106 26.014 ( -17.342 -4.493 -7.311) 19.349 26.321 ( 1.702 1.074 1.621) 2.583 27.118 ( -4.155 -0.818 1.706) 4.566 27.833 ( 4.752 0.006 -2.364) 5.308 28.057 ( 2.600 -0.326 1.134) 2.855 33.969 ( -2.179 0.926 1.738) 2.937 34.296 ( -7.743 -1.714 -2.825) 8.419 35.136 ( 6.923 1.004 1.064) 7.076======================= Grid point 35 (27/189) =======================q-point: (-0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.196 ( -67.874 0.000 0.000) 67.874 5.890 ( -75.229 0.000 0.000) 75.229 8.351 ( -94.977 0.000 0.000) 94.977 12.342 ( 48.848 -0.000 -0.000) 48.848 13.803 ( 22.732 -0.000 -0.000) 22.732 13.838 ( 30.674 -0.000 -0.000) 30.674 16.208 ( -15.503 0.000 0.000) 15.503 16.685 ( 11.915 -0.000 -0.000) 11.915 16.954 ( 1.473 -0.000 -0.000) 1.473 17.151 ( 10.997 -0.000 -0.000) 10.997 17.861 ( -7.502 0.000 0.000) 7.502 17.907 ( 4.260 -0.000 -0.000) 4.260 18.151 ( -2.975 0.000 0.000) 2.975 19.635 ( 31.033 -0.000 -0.000) 31.033 20.625 ( 14.927 -0.000 -0.000) 14.927 21.206 ( 12.323 -0.000 -0.000) 12.323 21.485 ( 0.630 -0.000 -0.000) 0.630 21.697 ( -7.846 0.000 0.000) 7.846 22.104 ( 12.416 -0.000 -0.000) 12.416 22.471 ( 7.261 -0.000 -0.000) 7.261 23.280 ( -0.517 0.000 0.000) 0.517 23.838 ( 6.457 -0.000 -0.000) 6.457 24.109 ( 2.268 -0.000 -0.000) 2.268 24.275 ( -1.583 0.000 0.000) 1.583 24.397 ( -0.444 0.000 0.000) 0.444 24.757 ( -4.619 0.000 0.000) 4.619 24.929 ( -6.531 0.000 0.000) 6.531 25.529 ( -17.829 0.000 0.000) 17.829 25.606 ( -22.705 0.000 0.000) 22.705 26.376 ( 2.802 -0.000 -0.000) 2.802 27.015 ( -7.609 0.000 0.000) 7.609 27.917 ( 5.630 -0.000 -0.000) 5.630 28.106 ( 2.711 -0.000 -0.000) 2.711 33.945 ( -1.924 0.000 0.000) 1.924 34.148 ( -7.156 0.000 0.000) 7.156 35.259 ( 6.427 -0.000 -0.000) 6.427======================= Grid point 40 (28/189) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.917 ( 0.000 46.305 49.785) 67.990 6.463 ( 0.000 66.786 45.636) 80.889 8.952 ( 0.000 75.924 76.330) 107.660 11.795 ( -0.000 -34.745 -36.974) 50.738 13.187 ( -0.000 -15.987 -31.751) 35.549 13.427 ( -0.000 -19.163 -39.697) 44.080 16.333 ( 0.000 3.348 23.485) 23.722 17.029 ( -0.000 -10.807 14.524) 18.104 17.080 ( -0.000 -16.936 -6.118) 18.008 17.703 ( -0.000 -8.302 7.013) 10.868 17.761 ( -0.000 -7.547 10.140) 12.640 18.383 ( 0.000 5.290 6.265) 8.199 18.391 ( -0.000 -4.783 -2.034) 5.197 19.267 ( -0.000 -7.895 -11.377) 13.848 19.386 ( -0.000 -24.835 -33.525) 41.722 21.055 ( -0.000 -10.119 -12.145) 15.808 21.428 ( 0.000 5.704 -1.452) 5.886 22.014 ( 0.000 -0.350 12.796) 12.801 22.733 ( -0.000 1.682 -8.188) 8.359 23.006 ( -0.000 -18.178 14.588) 23.308 23.412 ( -0.000 -15.014 -13.769) 20.371 23.516 ( 0.000 7.540 17.223) 18.801 24.240 ( 0.000 19.798 -29.649) 35.652 24.352 ( 0.000 3.015 11.232) 11.629 24.396 ( -0.000 -3.330 5.275) 6.238 24.516 ( 0.000 10.630 1.321) 10.711 24.726 ( 0.000 -2.878 7.042) 7.608 25.464 ( 0.000 11.711 5.999) 13.158 25.838 ( 0.000 10.302 15.839) 18.894 26.207 ( -0.000 -2.533 -9.100) 9.446 26.722 ( 0.000 9.263 -9.920) 13.572 27.899 ( -0.000 -3.129 -1.234) 3.363 28.175 ( -0.000 -5.118 0.801) 5.181 34.061 ( 0.000 3.911 2.448) 4.614 34.184 ( 0.000 3.214 7.292) 7.969 35.242 ( -0.000 -4.639 -3.671) 5.916======================= Grid point 41 (29/189) =======================q-point: ( 0.33 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.732 ( 10.498 38.228 42.561) 58.164 7.491 ( 11.112 57.920 43.770) 73.444 10.209 ( 6.603 55.509 59.445) 81.600 11.181 ( -4.683 -24.959 -27.189) 37.204 12.643 ( -14.860 -13.824 -32.275) 38.126 13.137 ( 11.468 -18.836 -34.558) 40.994 16.500 ( -0.199 0.670 19.842) 19.854 16.868 ( -0.923 -13.786 -6.781) 15.392 16.983 ( -2.615 -11.543 11.124) 16.243 17.567 ( -9.448 -3.775 9.355) 13.821 17.818 ( 4.790 -8.700 6.209) 11.713 18.084 ( -13.810 -6.723 -14.078) 20.835 18.520 ( 6.154 -3.544 4.366) 8.336 18.964 ( 0.334 -13.026 -15.471) 20.227 19.304 ( 8.448 -4.549 -10.633) 14.322 20.863 ( -0.513 -10.258 -12.660) 16.302 21.477 ( 3.776 -0.850 -1.969) 4.343 22.049 ( -5.881 1.647 7.255) 9.483 22.660 ( -6.295 -4.520 3.243) 8.401 22.842 ( -7.946 -11.904 6.662) 15.787 23.220 ( 2.874 -9.597 -12.693) 16.170 23.558 ( -9.478 3.438 12.497) 16.057 24.216 ( -1.241 14.407 -22.669) 26.888 24.363 ( -3.836 -1.428 3.703) 5.520 24.488 ( -0.123 2.904 6.039) 6.702 24.639 ( 3.582 9.542 3.426) 10.752 24.890 ( 11.581 0.346 8.732) 14.508 25.594 ( 0.762 8.702 4.593) 9.870 26.067 ( 2.242 2.564 3.565) 4.930 26.153 ( 4.747 4.068 0.384) 6.264 26.765 ( 2.898 7.729 -10.465) 13.329 27.869 ( 0.317 -2.913 0.237) 2.940 28.112 ( -1.625 -4.868 -0.308) 5.141 34.086 ( -2.944 3.631 3.098) 5.608 34.304 ( 4.114 3.374 6.201) 8.171 35.155 ( -2.021 -4.537 -3.608) 6.139======================= Grid point 42 (30/189) =======================q-point: ( 0.42 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.563 ( 19.924 23.892 32.361) 44.889 8.501 ( 13.189 45.841 37.873) 60.907 10.250 ( -22.557 -10.301 -11.043) 27.145 11.448 ( 5.506 25.496 24.097) 35.511 12.102 ( -9.434 -8.130 -20.171) 23.706 12.934 ( 11.588 -17.915 -29.756) 36.615 16.583 ( -2.436 -2.812 13.385) 13.892 16.724 ( 1.175 -5.003 -7.629) 9.198 16.877 ( -4.762 -8.237 8.667) 12.870 17.484 ( -6.234 0.764 12.047) 13.586 17.697 ( -3.868 -9.232 -8.981) 13.448 17.896 ( -1.530 0.949 7.307) 7.525 18.608 ( 14.820 -14.192 -3.796) 20.868 18.816 ( -0.881 -3.578 -8.331) 9.109 19.311 ( 2.147 -0.518 -8.215) 8.507 20.688 ( 1.131 -8.619 -11.915) 14.749 21.481 ( 4.962 -13.191 -3.928) 14.631 21.865 ( -20.575 -3.524 3.318) 21.136 22.425 ( -18.876 -0.242 13.646) 23.294 22.745 ( 0.605 1.119 -4.313) 4.496 23.133 ( 6.194 -7.663 -11.457) 15.112 23.546 ( -3.950 -0.035 15.362) 15.862 24.187 ( -1.794 11.218 -16.264) 19.839 24.294 ( -3.852 -1.551 1.000) 4.271 24.505 ( -0.115 0.154 -1.044) 1.061 24.817 ( 2.546 8.439 1.961) 9.030 25.125 ( 3.934 2.323 14.036) 14.761 25.765 ( 8.001 5.747 2.546) 10.175 26.014 ( 0.327 -1.470 -8.817) 8.945 26.427 ( 9.275 6.063 10.988) 15.606 26.822 ( 3.605 6.153 -10.452) 12.653 27.851 ( 0.347 -2.946 1.062) 3.151 28.028 ( -2.279 -4.085 -1.012) 4.785 34.086 ( -3.282 3.093 3.335) 5.609 34.455 ( 5.248 3.268 4.765) 7.806 35.038 ( -3.874 -4.204 -3.421) 6.663======================= Grid point 43 (31/189) =======================q-point: ( 0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.198 ( 22.313 -7.082 9.937) 25.432 9.218 ( -2.953 34.769 19.406) 39.927 9.897 ( -15.122 14.683 19.411) 28.654 11.337 ( -14.977 1.928 -22.706) 27.269 12.069 ( 2.497 -8.727 6.394) 11.103 12.811 ( 12.312 -13.868 -22.015) 28.785 16.528 ( -6.319 -4.928 5.025) 9.459 16.706 ( 0.726 0.332 3.102) 3.203 16.841 ( 1.625 0.875 4.787) 5.131 17.440 ( -10.539 4.898 4.883) 12.605 17.690 ( 8.168 -4.033 5.524) 10.653 17.994 ( -0.013 12.746 11.590) 17.228 18.674 ( 22.065 -22.603 -22.468) 38.763 18.752 ( -2.213 0.937 7.951) 8.306 19.272 ( -0.734 3.116 -7.717) 8.354 20.586 ( 3.896 -5.610 -11.114) 13.045 21.104 ( -24.224 -27.626 0.136) 36.742 21.568 ( -6.618 -1.681 -1.300) 6.951 22.300 ( -10.632 11.248 3.988) 15.983 22.755 ( 0.696 -1.081 1.390) 1.893 23.128 ( 8.263 -5.395 -8.444) 12.988 23.605 ( -2.172 0.168 15.414) 15.567 24.152 ( -4.819 5.686 -2.818) 7.969 24.237 ( 1.394 1.392 -10.140) 10.330 24.490 ( 0.525 -1.182 -2.481) 2.798 24.893 ( -0.472 2.778 -0.718) 2.907 25.261 ( -2.804 4.758 14.385) 15.409 25.949 ( 4.454 1.734 -5.222) 7.079 26.000 ( 6.805 1.550 -1.212) 7.084 26.675 ( 6.558 0.503 8.386) 10.658 26.872 ( 3.368 6.404 -8.447) 11.122 27.831 ( -0.219 -2.513 0.105) 2.524 27.953 ( -1.138 -3.343 -0.390) 3.553 34.080 ( -3.138 2.480 3.172) 5.105 34.607 ( 5.640 2.975 3.151) 7.113 34.897 ( -5.334 -3.795 -2.991) 7.197======================= Grid point 44 (32/189) =======================q-point: ( 0.58 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.205 ( 1.632 -21.241 -13.885) 25.429 9.494 ( -15.549 23.006 13.418) 30.840 10.004 ( -18.623 20.316 31.088) 41.546 11.194 ( 5.854 11.987 -13.009) 18.634 11.945 ( 5.397 -20.441 -1.951) 21.232 12.743 ( 12.949 -14.732 -20.861) 28.634 16.392 ( -6.289 -2.522 1.076) 6.861 16.742 ( -0.787 -2.132 10.367) 10.613 17.059 ( 7.715 13.604 5.495) 16.577 17.331 ( -8.752 5.399 4.249) 11.126 17.748 ( 3.825 -7.725 1.349) 8.725 18.175 ( -14.436 19.500 6.998) 25.252 18.695 ( 15.576 -17.601 -15.983) 28.423 18.819 ( -0.348 0.183 11.082) 11.089 19.344 ( 17.058 4.026 -7.545) 19.081 20.318 ( -16.376 -20.070 -8.100) 27.140 20.683 ( 2.771 -1.921 2.322) 4.094 21.461 ( 1.335 -7.669 -5.969) 9.810 22.278 ( -8.721 11.554 1.679) 14.573 22.749 ( -0.919 -3.034 3.295) 4.573 23.180 ( 7.576 -3.187 -5.046) 9.644 23.662 ( -2.652 1.734 10.869) 11.321 24.105 ( -4.859 1.799 3.550) 6.281 24.229 ( 4.289 1.864 -12.774) 13.603 24.468 ( -0.188 -1.302 -2.119) 2.494 24.875 ( -0.604 -1.310 -0.995) 1.752 25.311 ( -6.181 4.309 9.828) 12.384 25.986 ( 2.613 4.192 -4.682) 6.806 26.133 ( 5.718 -1.128 0.910) 5.899 26.708 ( -3.294 -2.077 -1.226) 4.082 26.995 ( 6.185 4.325 0.718) 7.581 27.790 ( -1.271 -1.384 -2.209) 2.900 27.931 ( 1.616 -2.628 1.305) 3.349 34.070 ( -2.889 1.801 2.655) 4.317 34.712 ( -3.013 0.762 -2.546) 4.017 34.779 ( 2.475 -1.486 1.817) 3.411======================= Grid point 45 (33/189) =======================q-point: (-0.33 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.816 ( -21.308 -7.039 -8.952) 24.160 9.034 ( -43.987 -2.070 -0.851) 44.044 10.353 ( 2.813 24.417 29.813) 38.638 11.118 ( -5.396 -13.252 -20.972) 25.388 12.187 ( 25.836 5.828 14.591) 30.238 12.731 ( 19.801 -14.120 -20.922) 32.081 16.304 ( -2.165 -0.589 -0.023) 2.244 16.790 ( 0.648 -0.980 8.905) 8.982 17.026 ( -14.109 3.690 -5.795) 15.693 17.664 ( 14.245 19.184 21.543) 32.172 17.742 ( 2.482 -3.118 -1.193) 4.160 17.963 ( -30.446 12.987 0.480) 33.104 18.499 ( -1.404 -24.171 -13.242) 27.597 18.735 ( -5.614 -4.295 -1.503) 7.226 19.813 ( 24.807 -0.715 -1.160) 24.845 20.126 ( 17.563 -1.501 -1.323) 17.677 20.856 ( 11.493 5.792 3.017) 13.219 21.385 ( 3.976 -8.510 -5.621) 10.946 22.217 ( -10.230 6.279 0.775) 12.028 22.714 ( -2.553 -1.991 2.881) 4.334 23.242 ( 4.929 -1.499 -2.268) 5.629 23.694 ( -1.869 2.339 4.503) 5.407 24.077 ( -2.578 1.394 2.545) 3.881 24.246 ( 4.865 -0.732 -6.772) 8.370 24.419 ( -2.547 -1.203 -1.666) 3.273 24.859 ( 0.771 -1.430 -0.069) 1.626 25.270 ( -7.399 1.951 4.405) 8.830 26.038 ( -0.848 4.682 -1.004) 4.863 26.183 ( 2.751 -2.761 -0.056) 3.898 26.559 ( -9.785 -1.600 -2.184) 10.153 27.121 ( 3.874 1.187 1.624) 4.365 27.749 ( -0.185 -0.560 -2.076) 2.158 27.962 ( 2.890 -1.215 1.045) 3.305 34.051 ( -2.620 1.002 1.647) 3.253 34.567 ( -7.777 -1.270 -2.144) 8.167 34.898 ( 6.749 0.753 1.221) 6.899======================= Grid point 46 (34/189) =======================q-point: (-0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.191 ( -44.662 0.000 0.000) 44.662 8.153 ( -56.089 0.000 0.000) 56.089 10.561 ( -30.841 0.000 0.000) 30.841 10.924 ( 26.536 -0.000 -0.000) 26.536 12.869 ( 23.752 -0.000 -0.000) 23.752 12.882 ( 31.070 -0.000 -0.000) 31.070 16.314 ( 3.604 -0.000 -0.000) 3.604 16.758 ( -14.304 0.000 0.000) 14.304 16.862 ( 3.043 -0.000 -0.000) 3.043 17.452 ( -30.502 0.000 0.000) 30.502 17.776 ( 3.326 -0.000 -0.000) 3.326 18.167 ( 4.173 -0.000 -0.000) 4.173 18.175 ( -5.253 0.000 0.000) 5.253 18.728 ( 15.962 -0.000 -0.000) 15.962 20.089 ( 15.400 -0.000 -0.000) 15.400 20.600 ( 26.734 -0.000 -0.000) 26.734 21.211 ( 22.597 -0.000 -0.000) 22.597 21.372 ( 3.884 -0.000 -0.000) 3.884 22.062 ( -11.335 0.000 0.000) 11.335 22.651 ( -5.399 0.000 0.000) 5.399 23.283 ( 1.678 -0.000 -0.000) 1.678 23.709 ( 0.725 -0.000 -0.000) 0.725 24.070 ( -0.393 0.000 0.000) 0.393 24.301 ( 4.813 -0.000 -0.000) 4.813 24.354 ( -3.025 0.000 0.000) 3.025 24.858 ( -0.604 0.000 0.000) 0.604 25.166 ( -7.300 0.000 0.000) 7.300 25.987 ( -7.806 0.000 0.000) 7.806 26.179 ( -3.895 0.000 0.000) 3.895 26.362 ( -8.379 0.000 0.000) 8.379 27.162 ( -0.388 0.000 0.000) 0.388 27.759 ( 2.626 -0.000 -0.000) 2.626 28.011 ( 2.958 -0.000 -0.000) 2.958 34.019 ( -2.380 0.000 0.000) 2.380 34.415 ( -8.147 0.000 0.000) 8.147 35.024 ( 7.019 -0.000 -0.000) 7.019======================= Grid point 53 (35/189) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.206 ( 0.000 24.243 34.308) 42.009 8.256 ( 0.000 55.108 41.541) 69.011 10.747 ( -0.000 -23.697 -26.783) 35.761 11.187 ( 0.000 55.843 61.106) 82.779 12.520 ( -0.000 -12.098 -25.601) 28.315 12.547 ( -0.000 -17.615 -36.081) 40.151 16.613 ( 0.000 -4.349 16.117) 16.693 16.698 ( -0.000 -11.846 -4.528) 12.682 16.962 ( -0.000 -10.387 8.661) 13.524 17.644 ( -0.000 -12.120 -9.189) 15.209 17.693 ( -0.000 -4.331 6.640) 7.927 18.030 ( -0.000 -7.599 -4.701) 8.936 18.258 ( -0.000 -25.379 -16.214) 30.116 18.821 ( 0.000 13.502 -8.108) 15.749 19.333 ( 0.000 3.836 11.548) 12.168 20.673 ( -0.000 -10.669 -13.363) 17.100 21.368 ( -0.000 -10.520 -4.035) 11.268 22.163 ( 0.000 1.015 4.129) 4.252 22.665 ( -0.000 2.349 -6.617) 7.022 22.815 ( -0.000 -16.681 10.450) 19.684 23.080 ( -0.000 -6.415 1.882) 6.686 23.764 ( 0.000 2.106 6.052) 6.408 24.178 ( -0.000 12.082 -27.533) 30.067 24.414 ( 0.000 1.440 0.567) 1.547 24.685 ( 0.000 7.795 20.007) 21.472 24.728 ( -0.000 -5.056 5.062) 7.155 24.746 ( 0.000 10.814 1.132) 10.873 25.684 ( 0.000 4.314 2.033) 4.769 26.034 ( -0.000 -1.190 -10.012) 10.083 26.208 ( 0.000 7.114 13.501) 15.260 26.742 ( 0.000 7.197 -11.185) 13.300 27.848 ( -0.000 -2.617 2.126) 3.372 28.073 ( -0.000 -4.284 -1.796) 4.645 34.172 ( 0.000 3.818 2.392) 4.505 34.335 ( 0.000 2.749 6.140) 6.728 35.106 ( -0.000 -4.176 -3.264) 5.300======================= Grid point 54 (36/189) =======================q-point: ( 0.42 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.637 ( 8.839 7.498 20.799) 23.811 9.071 ( 4.719 46.213 37.483) 59.689 10.354 ( -8.262 -7.246 -12.832) 16.895 11.933 ( -15.054 11.372 8.541) 20.710 12.051 ( -1.564 6.613 -2.834) 7.362 12.427 ( 11.254 -7.799 -14.955) 20.277 16.569 ( 4.231 -7.744 -4.312) 9.822 16.672 ( -2.086 -3.996 10.648) 11.562 16.905 ( -1.811 -7.399 6.559) 10.053 17.417 ( 2.819 -14.563 -10.816) 18.357 17.659 ( 0.406 -6.135 -2.626) 6.686 17.975 ( -1.137 -4.196 2.626) 5.079 18.024 ( 9.405 -15.499 -10.758) 21.081 18.957 ( -3.183 18.347 1.227) 18.662 19.407 ( -4.032 4.165 8.454) 10.251 20.494 ( 1.227 -9.240 -12.562) 15.642 21.199 ( 2.851 -22.502 -7.145) 23.781 22.107 ( -7.965 -1.205 1.968) 8.293 22.677 ( 2.440 1.687 -2.631) 3.965 22.748 ( -3.106 -3.034 6.027) 7.428 22.991 ( -7.653 -5.050 3.085) 9.674 23.719 ( -6.688 -1.583 9.774) 11.949 24.129 ( 2.254 8.725 -24.038) 25.671 24.402 ( -4.022 3.153 -0.809) 5.175 24.574 ( -7.402 -1.872 4.786) 9.011 24.881 ( 1.374 8.997 1.122) 9.170 25.093 ( 14.416 4.132 16.409) 22.230 25.724 ( 2.424 0.555 0.119) 2.490 25.949 ( -1.455 0.092 -8.914) 9.032 26.416 ( 6.372 4.603 11.411) 13.857 26.756 ( 2.566 6.079 -11.178) 12.980 27.840 ( -0.278 -2.597 3.478) 4.349 28.009 ( -1.218 -3.112 -2.968) 4.469 34.193 ( -2.961 3.072 2.570) 4.981 34.435 ( 3.841 2.454 4.402) 6.336 35.030 ( -2.101 -3.553 -2.792) 4.983======================= Grid point 55 (37/189) =======================q-point: ( 0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 868Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.871 ( 9.863 -9.980 3.552) 14.474 9.774 ( 0.882 38.247 28.055) 47.442 10.271 ( -0.646 11.077 10.869) 15.532 11.465 ( -15.569 -7.309 -22.430) 28.266 11.981 ( -4.796 -11.786 -12.484) 17.826 12.578 ( -2.767 4.477 8.303) 9.831 16.618 ( -4.595 -4.091 5.155) 8.027 16.640 ( 8.003 2.714 -1.092) 8.521 16.863 ( -0.583 -2.675 5.101) 5.789 17.436 ( 14.824 -9.553 3.142) 17.913 17.591 ( 4.537 -7.994 -7.619) 11.939 17.915 ( 1.595 -6.802 -5.005) 8.594 18.106 ( 13.880 -0.068 -0.436) 13.888 19.020 ( -12.042 13.514 6.113) 19.106 19.430 ( -5.473 10.913 5.076) 13.222 20.382 ( 3.836 -6.246 -11.395) 13.549 20.909 ( 0.414 -31.633 -8.520) 32.762 21.889 ( -19.953 -0.271 3.166) 20.205 22.637 ( -13.685 7.111 1.564) 15.502 22.720 ( 0.378 -1.375 3.641) 3.911 22.892 ( 6.225 -3.759 -6.358) 9.660 23.722 ( -1.248 -4.854 18.464) 19.132 24.101 ( 3.176 7.827 -22.433) 23.971 24.332 ( -6.945 2.065 1.343) 7.369 24.492 ( -2.836 -0.892 0.309) 2.989 24.942 ( -2.040 3.321 -0.113) 3.899 25.423 ( 4.280 6.061 15.910) 17.555 25.813 ( 8.259 -0.979 -1.390) 8.432 25.886 ( 2.192 0.025 -8.512) 8.790 26.629 ( 6.254 0.528 9.479) 11.368 26.801 ( 4.527 5.752 -10.098) 12.472 27.830 ( -0.887 -2.378 3.606) 4.410 27.938 ( -1.447 -1.859 -3.225) 3.994 34.179 ( -3.409 2.108 2.321) 4.632 34.558 ( 5.087 1.993 2.577) 6.041 34.929 ( -4.103 -2.747 -2.157) 5.389======================= Grid point 56 (38/189) =======================q-point: ( 0.58 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.881 ( 6.771 -11.148 -4.427) 13.774 10.151 ( -17.800 27.155 15.187) 35.845 10.519 ( -1.255 6.779 18.990) 20.203 11.188 ( 4.676 9.091 -9.783) 14.150 11.619 ( -5.573 -21.849 -13.514) 26.288 12.466 ( -6.079 -5.931 -5.246) 9.982 16.497 ( -7.295 -1.792 1.334) 7.629 16.768 ( 1.176 -1.681 4.447) 4.898 17.064 ( 13.526 14.528 10.067) 22.257 17.521 ( -0.147 -0.752 -7.763) 7.801 17.610 ( 8.410 -10.831 5.777) 14.879 17.822 ( 7.582 -12.916 -14.662) 20.959 18.560 ( 30.609 8.326 5.341) 32.168 18.897 ( -15.409 4.127 4.515) 16.579 19.508 ( -11.704 21.505 8.322) 25.860 20.216 ( -6.570 -20.841 -15.872) 27.008 20.596 ( 3.149 -13.464 -0.280) 13.831 21.523 ( -18.740 -1.327 -0.398) 18.791 22.534 ( -8.863 8.095 0.491) 12.013 22.722 ( 1.033 -3.693 1.225) 4.025 22.978 ( 9.135 -1.731 -2.792) 9.707 23.771 ( -1.734 -3.119 12.886) 13.371 24.102 ( 4.196 4.489 -14.020) 15.308 24.241 ( -6.556 1.362 1.696) 6.908 24.457 ( -0.608 -0.405 -0.483) 0.876 24.896 ( -3.579 -0.321 -0.611) 3.645 25.530 ( -6.996 4.182 8.290) 11.625 25.910 ( 6.961 3.161 -4.261) 8.752 25.974 ( 9.800 -3.572 -0.787) 10.460 26.720 ( 0.405 -0.913 1.643) 1.923 26.912 ( 7.328 3.231 -2.125) 8.286 27.804 ( -2.066 -1.090 0.898) 2.503 27.896 ( 0.340 -1.172 -0.871) 1.500 34.150 ( -3.209 1.086 1.440) 3.681 34.679 ( 5.648 1.448 0.934) 5.905 34.810 ( -5.752 -1.876 -1.122) 6.153======================= Grid point 57 (39/189) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.883 ( 1.169 -0.000 -0.000) 1.169 9.741 ( -39.178 0.000 0.000) 39.178 10.785 ( 8.338 -0.000 -0.000) 8.338 10.979 ( -24.269 0.000 0.000) 24.269 11.764 ( 32.374 -0.000 -0.000) 32.374 12.361 ( 3.999 -0.000 -0.000) 3.999 16.374 ( -6.076 0.000 0.000) 6.076 16.788 ( 1.101 -0.000 -0.000) 1.101 17.278 ( -11.805 0.000 0.000) 11.805 17.653 ( 6.258 -0.000 -0.000) 6.258 17.742 ( 18.913 -0.000 -0.000) 18.913 17.748 ( 11.678 -0.000 -0.000) 11.678 18.624 ( -20.442 0.000 0.000) 20.442 19.255 ( 37.780 -0.000 -0.000) 37.780 19.259 ( -37.578 0.000 0.000) 37.578 19.908 ( 3.519 -0.000 -0.000) 3.519 20.700 ( 10.652 -0.000 -0.000) 10.652 21.311 ( -4.105 0.000 0.000) 4.105 22.427 ( -9.588 0.000 0.000) 9.588 22.721 ( 0.581 -0.000 -0.000) 0.581 23.112 ( 8.190 -0.000 -0.000) 8.190 23.760 ( -2.547 0.000 0.000) 2.547 24.145 ( 3.919 -0.000 -0.000) 3.919 24.157 ( -4.799 0.000 0.000) 4.799 24.444 ( -1.081 0.000 0.000) 1.081 24.847 ( -0.972 0.000 0.000) 0.972 25.434 ( -8.436 0.000 0.000) 8.436 26.036 ( 4.365 -0.000 -0.000) 4.365 26.079 ( 6.350 -0.000 -0.000) 6.350 26.676 ( -5.172 0.000 0.000) 5.172 27.044 ( 6.440 -0.000 -0.000) 6.440 27.761 ( -2.056 0.000 0.000) 2.056 27.913 ( 2.251 -0.000 -0.000) 2.251 34.109 ( -2.889 0.000 0.000) 2.889 34.683 ( -7.201 0.000 0.000) 7.201 34.794 ( 6.356 -0.000 -0.000) 6.356======================= Grid point 66 (40/189) =======================q-point: ( 0.42 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.696 ( 0.000 -2.138 10.112) 10.335 9.690 ( 0.000 37.299 33.942) 50.431 10.298 ( -0.000 -0.297 -6.664) 6.671 11.790 ( -0.000 -13.481 -29.865) 32.767 12.057 ( -0.000 -6.961 -14.544) 16.124 12.707 ( 0.000 28.601 37.610) 47.250 16.412 ( -0.000 -8.292 -2.275) 8.599 16.712 ( 0.000 -4.235 8.033) 9.081 16.894 ( -0.000 -4.146 3.512) 5.433 17.153 ( -0.000 -11.455 -16.137) 19.789 17.357 ( -0.000 -18.999 -18.622) 26.604 17.849 ( -0.000 -3.842 5.053) 6.347 18.079 ( 0.000 2.212 7.865) 8.171 19.235 ( 0.000 26.360 4.362) 26.718 19.537 ( 0.000 2.449 8.158) 8.518 20.316 ( -0.000 -7.933 -10.796) 13.397 20.856 ( -0.000 -29.953 -9.669) 31.475 22.153 ( -0.000 -2.266 0.626) 2.350 22.650 ( 0.000 2.115 -2.899) 3.588 22.729 ( -0.000 0.972 -3.335) 3.474 23.164 ( 0.000 -4.317 22.139) 22.556 23.824 ( 0.000 0.112 1.559) 1.563 23.999 ( -0.000 4.449 -22.232) 22.673 24.462 ( 0.000 4.570 -2.609) 5.262 24.670 ( -0.000 -5.710 2.950) 6.427 24.953 ( 0.000 7.605 2.340) 7.957 25.091 ( 0.000 6.930 15.046) 16.565 25.670 ( -0.000 -4.065 -2.097) 4.574 25.933 ( -0.000 2.182 -7.221) 7.543 26.473 ( 0.000 2.697 11.738) 12.044 26.713 ( -0.000 4.912 -11.162) 12.195 27.848 ( 0.000 -2.297 4.955) 5.461 27.970 ( -0.000 -1.694 -4.386) 4.702 34.264 ( 0.000 2.488 1.573) 2.944 34.444 ( 0.000 1.565 3.464) 3.801 35.002 ( -0.000 -2.599 -2.015) 3.288======================= Grid point 67 (41/189) =======================q-point: ( 0.50 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.715 ( 2.275 -5.520 1.911) 6.268 10.229 ( 3.077 23.323 18.847) 30.143 10.347 ( 6.323 7.466 8.834) 13.182 11.393 ( -10.256 -12.985 -23.914) 29.080 11.897 ( -4.071 -4.688 -8.400) 10.446 12.976 ( -14.851 10.963 16.671) 24.873 16.451 ( 12.019 -0.920 -0.987) 12.094 16.693 ( -3.141 -2.463 3.843) 5.540 16.875 ( -0.457 -0.762 1.853) 2.055 17.098 ( 11.538 -10.765 3.073) 16.076 17.173 ( 10.135 -8.297 -20.492) 24.320 17.897 ( 5.141 -0.151 3.229) 6.073 18.087 ( -6.071 1.039 3.958) 7.321 19.409 ( -11.811 12.288 5.314) 17.853 19.653 ( 1.724 17.722 7.072) 19.159 20.203 ( 1.352 -6.209 -8.256) 10.418 20.503 ( 2.480 -30.143 -9.042) 31.568 22.109 ( -4.905 -0.434 0.965) 5.018 22.661 ( 1.005 0.854 -1.568) 2.049 22.749 ( 3.382 0.445 -2.465) 4.209 23.078 ( -19.569 -0.189 9.356) 21.691 23.805 ( -1.228 -4.072 13.253) 13.918 23.955 ( 4.095 5.062 -20.621) 21.625 24.452 ( -4.155 3.186 -1.793) 5.535 24.565 ( -5.779 -2.716 2.049) 6.706 25.017 ( -1.965 3.576 0.679) 4.137 25.380 ( 14.495 3.457 10.041) 17.969 25.665 ( 5.478 -2.386 -1.662) 6.202 25.867 ( -4.404 0.693 -5.500) 7.079 26.606 ( 4.244 -0.188 10.749) 11.558 26.708 ( 3.274 3.876 -10.871) 11.997 27.855 ( -0.839 -1.791 5.011) 5.387 27.921 ( -0.870 -0.331 -4.667) 4.759 34.262 ( -2.870 1.254 1.051) 3.304 34.510 ( 3.708 0.912 1.576) 4.131 34.952 ( -2.230 -1.417 -1.102) 2.863======================= Grid point 68 (42/189) =======================q-point: (-0.42 -0.58 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.729 ( 3.470 -0.000 -0.000) 3.470 10.443 ( 8.370 -0.000 -0.000) 8.370 10.815 ( 21.252 -0.000 -0.000) 21.252 10.863 ( -25.344 0.000 0.000) 25.344 11.706 ( -12.032 0.000 0.000) 12.032 12.717 ( -22.378 0.000 0.000) 22.378 16.611 ( -6.139 0.000 0.000) 6.139 16.702 ( 10.514 -0.000 -0.000) 10.514 16.971 ( 12.934 -0.000 -0.000) 12.934 17.144 ( 8.875 -0.000 -0.000) 8.875 17.385 ( 16.112 -0.000 -0.000) 16.112 17.938 ( -11.859 0.000 0.000) 11.859 18.122 ( 20.622 -0.000 -0.000) 20.622 19.224 ( -16.226 0.000 0.000) 16.226 19.935 ( -0.171 0.000 0.000) 0.171 19.989 ( -5.301 0.000 0.000) 5.301 20.400 ( 7.141 -0.000 -0.000) 7.141 21.909 ( -20.435 0.000 0.000) 20.435 22.678 ( 1.282 -0.000 -0.000) 1.282 22.770 ( -14.174 0.000 0.000) 14.174 22.827 ( 5.319 -0.000 -0.000) 5.319 23.831 ( -1.407 0.000 0.000) 1.407 23.984 ( 5.630 -0.000 -0.000) 5.630 24.366 ( -6.446 0.000 0.000) 6.446 24.484 ( -3.059 0.000 0.000) 3.059 24.971 ( -4.687 0.000 0.000) 4.687 25.711 ( 15.456 -0.000 -0.000) 15.456 25.728 ( -8.153 0.000 0.000) 8.153 25.779 ( 8.793 -0.000 -0.000) 8.793 26.699 ( 2.299 -0.000 -0.000) 2.299 26.788 ( 7.605 -0.000 -0.000) 7.605 27.841 ( -1.999 0.000 0.000) 1.999 27.888 ( -0.545 0.000 0.000) 0.545 34.217 ( -3.369 0.000 0.000) 3.369 34.596 ( 5.087 -0.000 -0.000) 5.087 34.885 ( -4.305 0.000 0.000) 4.305======================= Grid point 81 (43/189) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 260Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.680 ( 0.000 0.000 0.000) 0.000 10.308 ( 0.000 0.000 0.000) 0.000 10.421 ( 0.000 0.000 0.000) 0.000 11.337 ( 0.000 0.000 0.000) 0.000 11.886 ( 0.000 0.000 0.000) 0.000 13.253 ( 0.000 0.000 0.000) 0.000 16.313 ( 0.000 0.000 0.000) 0.000 16.723 ( 0.000 0.000 0.000) 0.000 16.896 ( 0.000 -0.000 0.000) 0.000 16.913 ( 0.000 0.000 0.000) 0.000 16.984 ( 0.000 0.000 0.000) 0.000 17.861 ( 0.000 0.000 0.000) 0.000 18.171 ( 0.000 0.000 0.000) 0.000 19.623 ( 0.000 0.000 0.000) 0.000 19.778 ( 0.000 0.000 0.000) 0.000 20.146 ( 0.000 0.000 0.000) 0.000 20.223 ( -0.000 -0.000 0.000) 0.000 22.136 ( 0.000 0.000 0.000) 0.000 22.654 ( 0.000 0.000 0.000) 0.000 22.716 ( 0.000 0.000 0.000) 0.000 23.322 ( 0.000 0.000 -0.000) 0.000 23.834 ( 0.000 0.000 0.000) 0.000 23.855 ( 0.000 0.000 -0.000) 0.000 24.503 ( 0.000 0.000 0.000) 0.000 24.618 ( 0.000 -0.000 0.000) 0.000 25.059 ( 0.000 0.000 0.000) 0.000 25.278 ( 0.000 0.000 0.000) 0.000 25.591 ( 0.000 0.000 0.000) 0.000 25.901 ( -0.000 0.000 -0.000) 0.000 26.624 ( 0.000 -0.000 0.000) 0.000 26.640 ( -0.000 0.000 -0.000) 0.000 27.877 ( 0.000 -0.000 0.000) 0.000 27.905 ( -0.000 0.000 -0.000) 0.000 34.301 ( 0.000 0.000 0.000) 0.000 34.484 ( 0.000 0.000 0.000) 0.000 34.961 ( -0.000 -0.000 0.000) 0.000======================= Grid point 162 (44/189) =======================q-point: ( 0.08 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.851 ( 0.000 -0.000 91.609) 91.609 1.851 ( 0.000 -0.000 91.609) 91.609 3.082 ( 0.000 -0.000 152.592) 152.592 13.895 ( -0.000 0.000 -39.012) 39.012 14.737 ( -0.000 0.000 -43.065) 43.065 14.737 ( -0.000 0.000 -43.065) 43.065 15.581 ( 0.000 -0.000 40.134) 40.134 17.165 ( 0.000 -0.000 26.817) 26.817 17.165 ( 0.000 -0.000 26.817) 26.817 17.966 ( -0.000 0.000 -1.087) 1.087 17.966 ( -0.000 0.000 -1.087) 1.087 18.216 ( 0.000 -0.000 6.031) 6.031 18.216 ( 0.000 -0.000 6.031) 6.031 20.710 ( -0.000 0.000 -35.763) 35.763 20.710 ( -0.000 0.000 -35.763) 35.763 20.996 ( -0.000 0.000 -0.991) 0.991 21.590 ( -0.000 0.000 -7.718) 7.718 22.176 ( 0.000 -0.000 28.067) 28.067 22.176 ( 0.000 -0.000 28.067) 28.067 23.357 ( -0.000 0.000 -7.035) 7.035 23.357 ( -0.000 0.000 -7.035) 7.035 23.773 ( -0.000 0.000 -29.835) 29.835 24.014 ( 0.000 -0.000 0.402) 0.402 24.273 ( 0.000 -0.000 3.601) 3.601 24.273 ( 0.000 -0.000 3.601) 3.601 24.539 ( 0.000 -0.000 5.051) 5.051 24.600 ( 0.000 -0.000 9.785) 9.785 24.600 ( 0.000 -0.000 9.785) 9.785 25.042 ( 0.000 -0.000 17.045) 17.045 26.425 ( -0.000 0.000 -5.825) 5.825 26.425 ( -0.000 0.000 -5.825) 5.825 28.116 ( -0.000 0.000 -6.109) 6.109 28.329 ( 0.000 -0.000 4.735) 4.735 33.909 ( 0.000 -0.000 3.573) 3.573 33.909 ( 0.000 -0.000 3.573) 3.573 35.482 ( -0.000 0.000 -2.815) 2.815======================= Grid point 163 (45/189) =======================q-point: ( 0.17 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.755 ( 32.279 18.636 74.535) 83.335 3.222 ( 47.947 27.682 77.026) 94.859 4.795 ( 59.041 34.087 122.734) 140.397 13.452 ( -15.827 -9.138 -38.479) 42.599 14.178 ( -14.454 -8.345 -47.358) 50.213 14.571 ( 3.753 2.167 -42.385) 42.606 15.845 ( 0.624 0.360 35.569) 35.576 17.179 ( -6.471 -3.736 24.840) 25.940 17.470 ( 2.368 1.367 22.913) 23.076 17.888 ( -4.506 -2.601 -3.971) 6.545 17.917 ( -6.125 -3.537 1.166) 7.169 18.185 ( -4.883 -2.819 10.527) 11.942 18.248 ( -1.794 -1.036 7.494) 7.775 20.215 ( -14.013 -8.090 -34.203) 37.838 20.646 ( 7.918 4.571 -37.275) 38.380 21.064 ( 6.130 3.539 -1.197) 7.179 21.495 ( -3.022 -1.745 -9.865) 10.464 22.198 ( -7.615 -4.397 28.132) 29.474 22.368 ( -4.204 -2.427 16.732) 17.422 23.195 ( -8.594 -4.962 -4.474) 10.886 23.340 ( -0.074 -0.043 -4.846) 4.847 23.683 ( 6.954 4.015 -26.678) 27.860 24.092 ( 5.341 3.084 -0.233) 6.172 24.280 ( -0.402 -0.232 4.226) 4.251 24.314 ( 1.637 0.945 3.071) 3.606 24.497 ( -3.862 -2.230 -0.256) 4.466 24.722 ( 6.692 3.864 9.904) 12.562 24.760 ( 3.779 2.182 10.669) 11.527 25.226 ( 5.930 3.424 20.091) 21.226 26.364 ( -1.070 -0.618 -7.825) 7.922 26.474 ( 7.245 4.183 -7.013) 10.916 28.053 ( -1.279 -0.738 -5.443) 5.639 28.318 ( -3.024 -1.746 4.798) 5.934 33.907 ( -1.029 -0.594 3.429) 3.629 33.995 ( 3.489 2.015 5.464) 6.789 35.437 ( -2.034 -1.175 -3.547) 4.254======================= Grid point 164 (46/189) =======================q-point: ( 0.25 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.102 ( 44.699 25.807 58.409) 77.946 4.851 ( 51.470 29.716 67.111) 89.645 7.062 ( 73.622 42.506 89.655) 123.551 12.685 ( -28.784 -16.619 -37.208) 49.891 13.489 ( -18.003 -10.394 -46.036) 50.512 14.344 ( 0.634 0.366 -39.543) 39.550 16.088 ( 1.855 1.071 28.866) 28.946 17.189 ( -6.638 -3.833 21.817) 23.124 17.493 ( -12.020 -6.940 13.678) 19.487 17.684 ( -7.445 -4.299 -11.492) 14.352 17.704 ( -13.552 -7.825 2.987) 15.932 18.228 ( -0.363 -0.210 19.010) 19.014 18.244 ( -2.807 -1.621 7.960) 8.594 19.693 ( -12.392 -7.155 -26.346) 29.981 20.592 ( 9.973 5.758 -39.396) 41.045 21.225 ( 7.818 4.514 -1.169) 9.103 21.331 ( -4.987 -2.879 -11.308) 12.690 22.210 ( -8.129 -4.693 29.945) 31.381 22.268 ( -9.289 -5.363 4.810) 11.755 22.888 ( -16.888 -9.750 -0.709) 19.513 23.319 ( 0.804 0.464 -2.908) 3.053 23.605 ( -1.583 -0.914 -18.961) 19.049 24.152 ( -1.174 -0.678 1.735) 2.202 24.372 ( 6.616 3.820 2.280) 7.972 24.401 ( -1.146 -0.662 4.495) 4.686 24.435 ( 6.441 3.719 -7.754) 10.744 24.899 ( 2.187 1.262 10.851) 11.141 25.008 ( 11.984 6.919 9.322) 16.685 25.578 ( 12.786 7.382 19.024) 24.081 26.274 ( -1.757 -1.014 -9.285) 9.504 26.625 ( 9.538 5.507 -7.752) 13.468 27.997 ( -0.566 -0.327 -4.933) 4.976 28.260 ( -4.609 -2.661 4.174) 6.764 33.908 ( -0.834 -0.482 3.404) 3.538 34.133 ( 5.027 2.902 6.334) 8.591 35.344 ( -3.851 -2.223 -4.050) 6.015======================= Grid point 165 (47/189) =======================q-point: ( 0.33 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.504 ( 46.057 26.591 49.152) 72.417 6.416 ( 48.307 27.890 58.932) 81.145 9.210 ( 68.104 39.320 62.314) 100.336 11.680 ( -37.273 -21.520 -35.187) 55.592 12.775 ( -18.622 -10.752 -40.407) 45.773 14.093 ( 0.227 0.131 -37.332) 37.333 16.304 ( 1.470 0.848 23.232) 23.294 17.147 ( -9.047 -5.223 15.773) 18.918 17.171 ( -19.849 -11.460 9.016) 24.629 17.373 ( -16.092 -9.291 5.375) 19.343 17.427 ( -7.914 -4.569 -14.917) 17.493 18.238 ( -2.216 -1.279 8.033) 8.431 18.355 ( -0.600 -0.347 19.172) 19.184 19.352 ( -4.340 -2.506 -17.403) 18.110 20.577 ( 12.113 6.993 -41.024) 43.342 21.133 ( -5.264 -3.039 -11.702) 13.186 21.362 ( 3.420 1.975 -0.251) 3.958 22.047 ( -11.473 -6.624 0.102) 13.248 22.234 ( -7.849 -4.532 32.296) 33.544 22.430 ( -21.817 -12.596 -0.134) 25.193 23.341 ( 2.467 1.425 -2.128) 3.556 23.417 ( -3.017 -1.742 -15.711) 16.092 24.105 ( -3.962 -2.288 3.894) 6.008 24.369 ( -0.640 -0.369 -1.531) 1.700 24.554 ( 7.765 4.483 0.826) 9.004 24.600 ( 8.646 4.992 -4.478) 10.941 25.008 ( 1.312 0.757 10.232) 10.344 25.353 ( 12.439 7.182 8.144) 16.512 26.021 ( 15.011 8.667 16.057) 23.628 26.165 ( -2.082 -1.202 -9.737) 10.030 26.778 ( 8.188 4.727 -8.458) 12.686 27.962 ( 0.247 0.142 -4.755) 4.764 28.172 ( -5.323 -3.073 4.059) 7.366 33.914 ( -0.707 -0.408 3.497) 3.591 34.300 ( 5.861 3.384 6.210) 9.185 35.211 ( -5.292 -3.055 -4.332) 7.490======================= Grid point 166 (48/189) =======================q-point: ( 0.42 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.820 ( 41.808 24.138 42.784) 64.506 7.793 ( 38.915 22.468 51.664) 68.471 10.573 ( -38.867 -22.440 -32.222) 55.248 10.835 ( 43.891 25.341 18.861) 54.077 12.192 ( -10.136 -5.852 -17.158) 20.769 13.875 ( 2.121 1.224 -35.245) 35.330 16.445 ( -1.486 -0.858 17.483) 17.567 16.790 ( -17.787 -10.270 8.264) 22.139 16.908 ( -15.429 -8.908 5.698) 18.705 17.160 ( -6.950 -4.013 -8.982) 12.045 17.172 ( -7.943 -4.586 11.754) 14.909 18.251 ( -1.486 -0.858 7.907) 8.091 18.435 ( -2.420 -1.397 14.139) 14.412 19.259 ( 4.770 2.754 -12.725) 13.866 20.587 ( 12.945 7.474 -42.467) 45.021 20.954 ( -3.447 -1.990 -10.754) 11.467 21.267 ( -17.119 -9.884 5.276) 20.459 21.763 ( -10.004 -5.776 -0.915) 11.588 22.026 ( -9.405 -5.430 -6.326) 12.568 22.280 ( -7.700 -4.445 34.214) 35.350 23.301 ( 0.834 0.482 -11.258) 11.299 23.389 ( 2.853 1.647 -2.686) 4.250 24.040 ( -4.326 -2.498 5.646) 7.538 24.350 ( -0.035 -0.020 -2.060) 2.060 24.720 ( 6.197 3.578 0.445) 7.169 24.738 ( 6.186 3.571 -5.988) 9.321 25.098 ( 0.963 0.556 9.076) 9.143 25.652 ( 9.199 5.311 5.437) 11.932 26.062 ( -1.344 -0.776 -7.870) 8.022 26.446 ( 13.300 7.679 13.327) 20.334 26.866 ( 4.359 2.517 -9.217) 10.502 27.935 ( 0.122 0.070 -5.621) 5.623 28.088 ( -4.103 -2.369 4.544) 6.565 33.922 ( -0.700 -0.404 3.669) 3.757 34.477 ( 6.169 3.562 5.307) 8.883 35.050 ( -6.223 -3.593 -4.369) 8.410======================= Grid point 167 (49/189) =======================q-point: ( 0.50 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.897 ( 25.686 14.830 32.152) 43.743 8.760 ( 14.338 8.278 40.569) 43.817 9.589 ( -25.783 -14.886 -22.796) 37.496 11.153 ( 5.753 3.322 -40.761) 41.299 12.384 ( 11.610 6.703 24.915) 28.293 13.731 ( 5.368 3.099 -32.988) 33.566 16.436 ( -5.400 -3.118 4.390) 7.626 16.495 ( -12.126 -7.001 6.861) 15.592 16.695 ( -8.031 -4.636 15.117) 17.734 17.060 ( -0.450 -0.260 6.952) 6.971 17.077 ( -6.336 -3.658 6.889) 10.049 18.267 ( -1.811 -1.045 7.455) 7.742 18.415 ( -5.158 -2.978 4.440) 7.428 19.410 ( 15.148 8.746 -8.149) 19.296 20.594 ( 12.747 7.359 -43.572) 45.991 20.721 ( -29.588 -17.083 8.245) 35.146 20.848 ( 0.104 0.060 -8.887) 8.887 21.626 ( -2.243 -1.295 -5.081) 5.704 21.896 ( -0.206 -0.119 -3.541) 3.549 22.329 ( -8.693 -5.019 35.414) 36.809 23.292 ( 3.175 1.833 -6.840) 7.761 23.422 ( 1.950 1.126 -4.400) 4.943 23.993 ( -3.427 -1.979 7.134) 8.158 24.337 ( 0.195 0.112 -2.428) 2.438 24.797 ( 2.924 1.688 -7.152) 7.909 24.834 ( 3.385 1.954 0.444) 3.934 25.172 ( 0.597 0.345 7.593) 7.624 25.803 ( 2.626 1.516 -3.143) 4.367 26.038 ( 2.045 1.181 0.905) 2.529 26.783 ( 7.160 4.134 9.105) 12.299 26.848 ( 1.296 0.748 -7.916) 8.056 27.888 ( -0.572 -0.330 -6.427) 6.461 28.054 ( -1.633 -0.943 4.091) 4.505 33.930 ( -0.822 -0.474 3.872) 3.986 34.642 ( 5.251 3.032 3.012) 6.770 34.880 ( -5.731 -3.309 -3.275) 7.383======================= Grid point 168 (50/189) =======================q-point: (-0.42 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.895 ( -30.671 -17.708 -7.556) 36.213 8.770 ( -28.324 -16.353 12.515) 35.018 9.634 ( 29.071 16.784 17.370) 37.797 11.232 ( 19.514 11.267 -26.738) 34.966 12.529 ( -10.400 -6.005 16.902) 20.734 13.684 ( 9.215 5.320 -30.938) 32.716 16.347 ( -3.840 -2.217 4.349) 6.211 16.376 ( 1.076 0.621 -1.132) 1.680 16.672 ( -5.589 -3.227 19.280) 20.332 16.970 ( -5.376 -3.104 1.282) 6.338 17.215 ( 5.285 3.051 19.416) 20.353 18.258 ( -3.175 -1.833 6.632) 7.578 18.261 ( -7.432 -4.291 -5.568) 10.229 19.852 ( 25.766 14.876 -3.736) 29.986 20.170 ( -21.926 -12.659 10.523) 27.417 20.588 ( 12.530 7.234 -44.381) 46.679 20.845 ( 4.136 2.388 -6.317) 7.919 21.583 ( 1.854 1.070 -5.712) 6.100 21.920 ( 2.364 1.365 0.607) 2.796 22.347 ( -10.742 -6.202 36.104) 38.175 23.339 ( 3.942 2.276 -3.522) 5.756 23.419 ( 0.834 0.482 -6.020) 6.097 23.980 ( -1.963 -1.133 7.327) 7.670 24.326 ( 0.284 0.164 -2.825) 2.844 24.781 ( 0.186 0.107 -7.675) 7.678 24.873 ( -0.277 -0.160 0.422) 0.530 25.221 ( -0.572 -0.330 6.481) 6.515 25.776 ( -1.195 -0.690 -5.932) 6.091 26.124 ( 2.651 1.530 4.925) 5.799 26.666 ( -7.678 -4.433 -9.060) 12.676 27.039 ( 5.581 3.222 7.657) 10.008 27.836 ( 0.284 0.164 -7.268) 7.275 28.056 ( -0.491 -0.283 3.275) 3.323 33.935 ( -1.032 -0.596 4.059) 4.230 34.631 ( -5.602 -3.235 -4.974) 8.160 34.872 ( 4.923 2.842 3.474) 6.662======================= Grid point 169 (51/189) =======================q-point: (-0.33 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.938 ( -43.967 -25.384 -10.708) 51.886 7.868 ( -49.612 -28.643 -2.159) 57.327 10.605 ( 40.360 23.302 22.234) 51.636 11.036 ( -33.156 -19.143 -25.939) 46.245 12.603 ( 14.855 8.576 22.582) 28.358 13.735 ( 12.702 7.334 -29.223) 32.697 16.383 ( 5.026 2.902 1.723) 6.054 16.475 ( 6.649 3.839 -3.216) 8.324 16.659 ( -5.499 -3.175 15.546) 16.793 16.884 ( -1.492 -0.861 1.967) 2.615 17.510 ( 7.801 4.504 19.898) 21.842 18.044 ( -6.171 -3.563 -9.526) 11.897 18.212 ( -4.305 -2.485 5.577) 7.471 19.806 ( -10.041 -5.797 3.029) 11.983 20.556 ( 29.355 16.948 7.495) 34.715 20.577 ( 12.783 7.380 -44.816) 47.185 20.948 ( 7.460 4.307 -3.484) 9.293 21.622 ( 3.557 2.054 -3.899) 5.664 22.000 ( 4.392 2.536 1.400) 5.261 22.321 ( -12.583 -7.265 36.414) 39.206 23.384 ( -0.063 -0.036 -6.677) 6.677 23.428 ( 5.356 3.092 -0.773) 6.233 24.000 ( -0.240 -0.139 6.076) 6.083 24.312 ( 0.218 0.126 -3.211) 3.221 24.715 ( -1.259 -0.727 -7.384) 7.526 24.826 ( -3.991 -2.304 0.138) 4.611 25.225 ( -2.830 -1.634 6.085) 6.907 25.676 ( -5.127 -2.960 -3.241) 6.750 26.214 ( 2.766 1.597 3.989) 5.110 26.365 ( -13.149 -7.592 -9.744) 18.041 27.144 ( -0.228 -0.131 4.997) 5.004 27.819 ( 2.783 1.607 -7.155) 7.843 28.072 ( 0.056 0.032 2.799) 2.800 33.937 ( -1.257 -0.726 4.194) 4.438 34.446 ( -6.952 -4.014 -5.339) 9.641 35.027 ( 6.213 3.587 2.780) 7.694======================= Grid point 170 (52/189) =======================q-point: (-0.25 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.798 ( -51.821 -29.919 -3.290) 59.928 6.586 ( -60.641 -35.011 -1.652) 70.041 9.581 ( -75.046 -43.328 -20.394) 89.023 11.703 ( 43.733 25.249 17.113) 53.319 13.298 ( 28.751 16.599 19.704) 38.606 13.863 ( 14.855 8.577 -27.175) 32.136 16.381 ( -10.424 -6.018 -4.417) 12.821 16.573 ( 10.674 6.162 -1.783) 12.453 16.822 ( 8.892 5.134 10.647) 14.791 16.956 ( 5.776 3.335 5.273) 8.502 17.711 ( 0.737 0.426 -1.874) 2.059 17.946 ( 1.385 0.799 7.011) 7.191 18.147 ( -4.016 -2.319 4.263) 6.299 19.761 ( 4.449 2.569 5.786) 7.738 20.582 ( 13.756 7.942 -43.952) 46.734 21.123 ( 9.087 5.246 -1.665) 10.624 21.198 ( 20.565 11.873 4.907) 24.248 21.643 ( -0.564 -0.326 -2.961) 3.032 22.192 ( 13.016 7.515 2.478) 15.233 22.266 ( -13.259 -7.655 36.061) 39.176 23.333 ( -0.363 -0.209 -6.592) 6.605 23.582 ( 8.093 4.672 1.094) 9.408 24.048 ( 1.327 0.766 4.348) 4.610 24.292 ( -0.022 -0.013 -3.280) 3.280 24.637 ( -1.472 -0.850 -5.914) 6.153 24.698 ( -6.999 -4.041 -0.379) 8.091 25.171 ( -5.348 -3.088 5.836) 8.497 25.491 ( -10.153 -5.862 0.041) 11.723 25.940 ( -18.099 -10.449 -10.388) 23.338 26.305 ( 3.288 1.898 2.382) 4.482 27.100 ( -5.281 -3.049 1.763) 6.348 27.869 ( 4.945 2.855 -5.198) 7.721 28.099 ( 0.865 0.499 2.311) 2.517 33.934 ( -1.429 -0.825 4.243) 4.553 34.255 ( -6.676 -3.854 -4.820) 9.091 35.182 ( 5.967 3.445 1.620) 7.078======================= Grid point 171 (53/189) =======================q-point: (-0.17 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.547 ( -59.094 -34.118 8.424) 68.754 5.127 ( -68.431 -39.509 7.777) 79.399 7.502 ( -95.963 -55.404 -11.089) 111.362 12.779 ( 42.474 24.523 6.519) 49.476 14.045 ( 15.759 9.099 -22.347) 28.819 14.074 ( 28.207 16.285 14.433) 35.625 16.058 ( -13.493 -7.790 -7.969) 17.499 16.776 ( 7.963 4.597 -7.198) 11.677 17.021 ( -0.617 -0.356 22.981) 22.992 17.245 ( 16.566 9.565 -2.944) 19.354 17.676 ( 3.142 1.814 -6.777) 7.687 18.050 ( -0.286 -0.165 10.353) 10.358 18.099 ( -1.985 -1.146 2.729) 3.564 20.091 ( 19.065 11.007 8.872) 23.735 20.622 ( 14.767 8.525 -41.864) 45.203 21.322 ( 8.814 5.089 -1.247) 10.253 21.456 ( -3.315 -1.914 6.056) 7.165 21.599 ( 4.614 2.664 -11.257) 12.454 22.205 ( -12.662 -7.310 34.653) 37.611 22.626 ( 20.305 11.723 6.483) 24.327 23.289 ( 0.529 0.305 -6.401) 6.430 23.803 ( 10.367 5.985 0.605) 11.986 24.113 ( 2.136 1.233 3.088) 3.952 24.269 ( -0.365 -0.210 -2.087) 2.129 24.511 ( -8.833 -5.100 -0.911) 10.240 24.578 ( -0.881 -0.509 -3.339) 3.491 25.061 ( -6.827 -3.941 1.788) 8.083 25.225 ( -13.773 -7.952 3.184) 16.219 25.420 ( -21.429 -12.372 -7.123) 25.749 26.388 ( 2.908 1.679 0.626) 3.416 26.948 ( -8.037 -4.640 -0.586) 9.299 27.961 ( 5.239 3.025 -2.955) 6.733 28.141 ( 1.663 0.960 1.614) 2.508 33.929 ( -1.510 -0.872 4.185) 4.533 34.085 ( -5.654 -3.265 -3.584) 7.448 35.316 ( 5.134 2.964 0.416) 5.943======================= Grid point 172 (54/189) =======================q-point: (-0.08 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.254 ( -63.556 -36.694 27.213) 78.271 3.623 ( -72.394 -41.797 27.264) 87.927 5.173 (-105.890 -61.136 13.413) 123.005 13.627 ( 32.448 18.734 -18.141) 41.628 14.318 ( 18.343 10.590 -7.919) 22.613 14.715 ( 21.936 12.665 0.465) 25.333 15.693 ( -13.671 -7.893 -5.532) 16.727 16.816 ( 0.891 0.515 -4.942) 5.048 17.125 ( -4.811 -2.778 26.660) 27.233 17.590 ( 14.711 8.493 -3.031) 17.255 17.817 ( 10.048 5.801 -0.886) 11.637 18.071 ( -2.040 -1.178 6.769) 7.168 18.101 ( 0.764 0.441 2.106) 2.284 20.653 ( 23.943 13.823 2.379) 27.749 20.686 ( 14.212 8.206 -39.096) 42.400 21.294 ( -9.331 -5.387 1.028) 10.823 21.493 ( 6.938 4.006 -2.419) 8.368 21.642 ( 2.688 1.552 -4.519) 5.482 22.159 ( -10.807 -6.239 32.338) 34.662 23.096 ( 15.765 9.102 5.263) 18.949 23.280 ( 2.538 1.465 -6.590) 7.212 24.029 ( 9.161 5.289 -3.870) 11.264 24.178 ( 1.477 0.853 2.424) 2.964 24.258 ( -0.311 -0.180 2.226) 2.255 24.300 ( -8.449 -4.878 -0.841) 9.793 24.556 ( 0.021 0.012 -0.439) 0.440 24.769 ( -14.157 -8.174 -21.518) 27.023 24.929 ( -14.332 -8.274 6.197) 17.671 25.041 ( -11.719 -6.766 17.156) 21.851 26.440 ( 1.838 1.061 -1.382) 2.533 26.741 ( -8.856 -5.113 -2.336) 10.490 28.055 ( 4.190 2.419 -2.216) 5.321 28.193 ( 1.920 1.109 1.873) 2.902 33.922 ( -1.494 -0.862 4.021) 4.375 33.958 ( -3.848 -2.221 -1.554) 4.707 35.417 ( 3.778 2.181 -0.779) 4.432======================= Grid point 175 (55/189) =======================q-point: ( 0.17 0.17 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.510 ( 0.000 51.113 72.381) 88.609 3.593 ( 0.000 41.421 78.395) 88.665 5.585 ( 0.000 47.699 132.125) 140.471 13.192 ( -0.000 -18.469 -38.577) 42.770 13.942 ( -0.000 -8.202 -47.951) 48.647 14.172 ( -0.000 -1.391 -50.108) 50.127 16.091 ( 0.000 -1.572 37.703) 37.736 17.315 ( 0.000 -10.452 23.848) 26.038 17.608 ( 0.000 -0.173 7.642) 7.644 17.863 ( 0.000 -4.806 9.548) 10.689 17.983 ( -0.000 -0.932 -0.198) 0.953 18.269 ( 0.000 -4.305 9.566) 10.490 18.302 ( 0.000 -0.896 11.832) 11.866 20.015 ( -0.000 -13.832 -33.309) 36.067 20.305 ( -0.000 -3.453 -36.058) 36.223 21.060 ( 0.000 7.760 -1.298) 7.868 21.419 ( -0.000 -3.756 -12.064) 12.635 22.255 ( -0.000 -14.935 17.498) 23.005 22.607 ( 0.000 5.925 10.791) 12.311 23.244 ( 0.000 -1.536 5.517) 5.727 23.304 ( -0.000 -1.693 -1.872) 2.524 23.514 ( -0.000 14.935 -30.302) 33.782 24.093 ( 0.000 6.754 0.136) 6.755 24.261 ( -0.000 -7.891 1.207) 7.982 24.328 ( 0.000 -0.497 5.113) 5.137 24.492 ( -0.000 -5.708 2.422) 6.201 24.732 ( 0.000 -0.209 10.570) 10.572 24.896 ( 0.000 11.120 11.097) 15.710 25.356 ( 0.000 5.894 20.261) 21.101 26.325 ( -0.000 -0.363 -8.892) 8.899 26.402 ( 0.000 7.723 -9.177) 11.995 28.012 ( -0.000 -1.512 -6.077) 6.262 28.350 ( -0.000 -3.575 4.511) 5.755 33.950 ( 0.000 0.225 4.327) 4.333 34.017 ( 0.000 2.669 6.221) 6.770 35.413 ( -0.000 -2.151 -4.170) 4.692======================= Grid point 176 (56/189) =======================q-point: ( 0.25 0.17 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.449 ( 9.243 48.865 65.982) 82.625 4.955 ( 33.740 45.487 67.696) 88.262 7.253 ( 36.085 52.234 109.856) 126.881 12.600 ( -13.938 -24.673 -37.754) 47.206 13.367 ( -15.558 -8.577 -47.270) 50.498 13.924 ( 9.118 -4.864 -49.031) 50.108 16.307 ( -1.079 -1.341 34.717) 34.760 17.340 ( -2.506 -10.226 21.181) 23.653 17.511 ( -1.716 -12.408 -6.754) 14.231 17.787 ( -12.912 -7.217 8.600) 17.110 17.930 ( -7.457 1.321 3.421) 8.310 18.281 ( -1.186 -5.459 8.961) 10.559 18.391 ( -0.848 2.438 17.605) 17.793 19.582 ( -7.337 -13.586 -25.490) 29.802 20.113 ( 11.765 -9.154 -36.686) 39.599 21.182 ( 4.350 9.283 -1.118) 10.313 21.268 ( -2.203 -5.056 -13.615) 14.690 22.190 ( -1.820 -13.213 9.117) 16.156 22.619 ( -6.447 5.562 2.160) 8.785 23.111 ( -16.246 -0.595 2.934) 16.520 23.299 ( -1.060 -0.982 4.579) 4.802 23.537 ( 0.740 9.010 -18.373) 20.477 24.147 ( 1.880 -4.534 -1.563) 5.151 24.239 ( 6.588 -0.201 -2.217) 6.954 24.374 ( 1.632 0.686 5.385) 5.669 24.459 ( -1.340 -0.588 4.118) 4.371 24.857 ( 6.411 -1.151 10.644) 12.479 25.094 ( 1.722 12.232 9.822) 15.782 25.617 ( 6.736 8.268 19.413) 22.150 26.235 ( -1.943 -0.192 -10.432) 10.613 26.490 ( 6.753 8.319 -9.634) 14.409 27.957 ( -0.014 -1.070 -5.724) 5.824 28.315 ( -2.490 -4.546 4.021) 6.560 33.963 ( -1.960 0.845 4.606) 5.076 34.128 ( 3.827 3.056 6.664) 8.270 35.341 ( -2.029 -2.957 -4.517) 5.767======================= Grid point 177 (57/189) =======================q-point: ( 0.33 0.17 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.617 ( 23.799 44.447 56.724) 75.891 6.425 ( 37.485 39.767 61.059) 81.943 9.109 ( 45.620 45.424 79.975) 102.667 11.753 ( -25.626 -26.949 -34.992) 51.063 12.694 ( -16.526 -8.981 -42.754) 46.708 13.698 ( 8.196 -5.725 -46.957) 48.010 16.492 ( -1.491 -0.884 29.930) 29.980 17.246 ( -5.837 -14.605 -3.810) 16.183 17.305 ( -4.820 -14.158 11.352) 18.777 17.495 ( -16.667 -5.696 8.932) 19.749 17.732 ( -18.512 1.802 -0.234) 18.601 18.250 ( 0.665 -8.908 7.239) 11.498 18.522 ( -1.567 2.421 17.561) 17.797 19.247 ( -3.019 -8.262 -14.212) 16.714 20.017 ( 17.278 -11.106 -37.716) 42.947 21.072 ( -3.014 -5.537 -14.401) 15.720 21.348 ( 4.300 8.543 -0.361) 9.571 22.055 ( -4.689 -8.157 -0.323) 9.414 22.598 ( -5.276 5.395 6.437) 9.918 22.733 ( -26.462 -8.803 6.434) 28.620 23.312 ( -1.253 0.574 5.432) 5.604 23.407 ( -5.117 2.783 -16.727) 17.712 24.136 ( 2.608 -4.538 -0.743) 5.286 24.303 ( 1.958 -0.241 -3.372) 3.907 24.491 ( 6.134 2.822 3.538) 7.623 24.517 ( 3.017 3.383 3.032) 5.454 25.020 ( 4.414 -1.036 10.736) 11.654 25.349 ( 7.183 11.918 8.320) 16.213 25.986 ( 11.357 8.668 16.270) 21.652 26.128 ( -1.810 0.321 -10.401) 10.562 26.632 ( 7.966 6.829 -9.805) 14.360 27.918 ( 0.535 -0.406 -5.388) 5.430 28.237 ( -3.808 -5.136 3.696) 7.385 33.969 ( -2.048 0.989 4.783) 5.296 34.281 ( 5.092 3.381 6.293) 8.773 35.227 ( -3.839 -3.538 -4.610) 6.965======================= Grid point 178 (58/189) =======================q-point: ( 0.42 0.17 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.840 ( 28.728 38.851 48.944) 68.777 7.791 ( 34.974 31.568 54.517) 72.054 10.413 ( 8.067 -6.948 10.384) 14.872 10.934 ( -10.083 8.103 -5.830) 14.188 12.144 ( -7.177 -4.673 -24.026) 25.507 13.482 ( 8.897 -5.151 -44.214) 45.394 16.614 ( -3.583 -2.520 22.034) 22.465 16.963 ( -7.416 -14.263 0.130) 16.077 17.053 ( -13.114 -12.283 8.173) 19.740 17.323 ( -11.502 1.400 10.620) 15.718 17.409 ( -16.914 -0.685 1.711) 17.014 18.236 ( 2.738 -9.646 6.955) 12.203 18.601 ( -4.277 1.319 14.647) 15.315 19.119 ( 2.708 -1.497 -9.698) 10.179 19.968 ( 20.353 -13.284 -38.386) 45.434 20.883 ( -1.750 -4.499 -14.050) 14.856 21.447 ( -4.126 4.403 2.682) 6.604 21.879 ( -6.461 -2.351 -7.280) 10.014 22.158 ( -26.888 -15.563 5.004) 31.468 22.632 ( -5.027 5.349 12.558) 14.546 23.260 ( -2.668 6.233 -13.693) 15.279 23.360 ( 0.624 -0.437 4.708) 4.769 24.120 ( -1.751 -2.491 4.298) 5.267 24.296 ( 2.254 -1.415 -5.137) 5.786 24.602 ( 5.572 -1.495 -0.359) 5.780 24.669 ( 5.671 5.823 1.175) 8.212 25.126 ( 1.294 -1.113 10.572) 10.709 25.646 ( 7.454 10.973 5.358) 14.307 26.021 ( -0.921 -0.043 -9.396) 9.441 26.393 ( 12.423 8.108 14.076) 20.450 26.746 ( 5.994 4.405 -9.940) 12.416 27.889 ( 0.498 -0.097 -5.808) 5.830 28.145 ( -3.513 -5.053 3.775) 7.220 33.977 ( -1.958 0.911 4.961) 5.410 34.446 ( 5.599 3.472 5.196) 8.391 35.082 ( -5.240 -3.871 -4.444) 7.886======================= Grid point 179 (59/189) =======================q-point: ( 0.50 0.17 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.966 ( 23.736 32.759 41.133) 57.693 8.889 ( 22.271 15.389 44.746) 52.298 9.650 ( -27.191 -25.764 -20.810) 42.851 10.964 ( -8.417 6.812 -32.423) 34.183 12.315 ( 17.276 4.626 16.276) 24.182 13.326 ( 11.366 -3.611 -40.642) 42.355 16.584 ( -6.848 -2.399 6.442) 9.703 16.682 ( -13.500 -10.036 6.832) 18.156 16.896 ( -5.499 -4.159 15.621) 17.075 17.209 ( -8.976 0.877 6.296) 10.999 17.262 ( -9.721 5.752 14.876) 18.678 18.231 ( 2.893 -10.835 5.582) 12.527 18.585 ( -8.386 1.266 9.267) 12.562 19.194 ( 11.581 4.772 -7.087) 14.391 19.933 ( 22.422 -15.788 -38.806) 47.518 20.753 ( 1.244 -2.309 -12.566) 12.837 21.124 ( -30.197 -14.947 7.839) 34.594 21.709 ( -6.554 3.832 -11.194) 13.525 21.842 ( -1.737 -1.815 1.546) 2.949 22.685 ( -5.723 3.849 16.267) 17.669 23.236 ( 1.412 6.352 -9.961) 11.898 23.393 ( -0.159 -0.042 3.632) 3.635 24.089 ( -3.852 -1.580 7.261) 8.370 24.293 ( 2.728 -0.579 -5.486) 6.154 24.655 ( 5.509 -4.394 -3.655) 7.938 24.808 ( 3.867 4.194 0.656) 5.742 25.190 ( 0.227 -1.963 9.363) 9.569 25.819 ( 0.009 7.927 -5.201) 9.481 26.016 ( 3.895 2.630 0.937) 4.792 26.746 ( 10.254 5.030 11.931) 16.516 26.776 ( 1.780 2.067 -10.231) 10.588 27.847 ( -0.402 -0.307 -6.851) 6.869 28.081 ( -1.452 -4.055 3.736) 5.702 33.985 ( -1.919 0.681 5.129) 5.518 34.604 ( 5.289 3.252 3.123) 6.950 34.920 ( -5.673 -3.823 -3.526) 7.696======================= Grid point 180 (60/189) =======================q-point: ( 0.58 0.17 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.300 ( -32.123 -5.051 -3.433) 32.699 9.255 ( -9.106 -8.195 13.419) 18.170 9.357 ( 12.667 8.190 30.261) 33.812 10.889 ( 15.730 18.209 -23.652) 33.741 12.560 ( 4.840 -12.163 7.461) 15.067 13.264 ( 14.246 -1.433 -36.443) 39.155 16.437 ( -7.637 -7.205 5.866) 12.026 16.526 ( -7.949 11.286 -0.431) 13.811 16.894 ( -5.698 -2.187 19.149) 20.098 17.092 ( -8.644 -0.302 2.924) 9.130 17.368 ( -3.403 7.954 24.023) 25.533 18.171 ( 0.401 -12.273 0.883) 12.311 18.481 ( -11.315 2.910 5.865) 13.073 19.533 ( 22.973 9.358 -4.195) 25.158 19.902 ( 22.198 -17.095 -35.582) 45.289 20.505 ( -22.140 -15.037 5.386) 27.300 20.737 ( 3.683 1.177 -7.460) 8.402 21.601 ( -2.688 6.717 -11.911) 13.936 21.877 ( 1.456 1.024 3.825) 4.219 22.717 ( -7.316 1.058 18.760) 20.164 23.281 ( 3.402 4.688 -6.790) 8.925 23.402 ( -1.405 1.831 1.163) 2.584 24.060 ( -3.198 -1.536 7.020) 7.866 24.300 ( 1.406 1.115 -4.255) 4.618 24.654 ( 4.144 -6.700 -4.957) 9.308 24.886 ( 1.235 1.884 0.490) 2.305 25.221 ( -0.069 -3.391 7.388) 8.129 25.814 ( -2.246 6.819 -7.030) 10.048 26.137 ( 2.707 3.357 3.980) 5.869 26.681 ( -4.866 -1.913 -8.847) 10.276 27.013 ( 7.332 3.142 8.533) 11.681 27.785 ( -0.456 -0.178 -7.791) 7.806 28.062 ( 0.347 -2.872 3.067) 4.216 33.992 ( -1.960 0.342 5.239) 5.604 34.659 ( -3.494 -1.058 -4.064) 5.463 34.842 ( 2.680 0.417 2.521) 3.703======================= Grid point 181 (61/189) =======================q-point: (-0.33 0.17 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.458 ( -43.666 -13.203 -7.908) 46.298 8.525 ( -50.336 -18.524 6.423) 54.020 10.226 ( 37.266 13.695 22.244) 45.510 11.135 ( -3.499 2.844 -14.623) 15.303 12.546 ( 9.303 -6.037 11.403) 15.907 13.297 ( 17.449 0.345 -33.038) 37.364 16.357 ( 0.249 -2.767 4.124) 4.972 16.534 ( -5.635 13.751 -2.311) 15.039 16.911 ( -6.600 0.082 19.132) 20.238 16.947 ( -8.862 2.680 -1.286) 9.347 17.588 ( 3.893 5.244 20.477) 21.493 18.022 ( -3.218 -8.652 -3.992) 10.057 18.356 ( -9.624 -0.086 6.964) 11.880 19.654 ( 8.774 -21.832 -22.374) 32.469 20.127 ( 16.741 5.965 -22.657) 28.796 20.350 ( 15.478 6.061 15.705) 22.868 20.831 ( 7.924 5.204 -4.473) 10.482 21.597 ( 2.358 7.149 -9.170) 11.864 21.927 ( 1.365 -2.226 4.848) 5.507 22.701 ( -9.054 -2.386 20.494) 22.532 23.322 ( 2.121 -0.250 -4.666) 5.132 23.427 ( 0.199 7.970 -1.515) 8.115 24.048 ( -1.423 -1.224 5.501) 5.812 24.302 ( -0.231 2.150 -3.143) 3.814 24.605 ( 2.603 -8.019 -4.364) 9.494 24.892 ( -2.286 0.582 0.258) 2.373 25.216 ( -0.388 -5.635 5.429) 7.834 25.790 ( -5.162 7.193 -3.670) 9.584 26.215 ( 1.412 1.467 2.035) 2.878 26.456 ( -11.095 -4.217 -7.664) 14.129 27.162 ( 2.289 0.121 5.410) 5.876 27.743 ( 1.638 1.140 -7.647) 7.903 28.069 ( 1.050 -2.005 2.348) 3.261 33.994 ( -2.029 -0.080 5.223) 5.604 34.498 ( -7.199 -2.915 -4.874) 9.170 34.967 ( 6.227 2.320 2.446) 7.081======================= Grid point 182 (62/189) =======================q-point: (-0.25 0.17 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.484 ( -52.244 -14.021 1.542) 54.115 7.405 ( -62.022 -20.485 7.549) 65.752 10.258 ( -53.618 -28.914 -7.066) 61.325 11.269 ( 39.761 17.470 8.526) 44.258 13.044 ( 28.996 11.816 12.684) 33.782 13.428 ( 20.206 2.609 -28.740) 35.229 16.415 ( 2.815 -1.682 -0.685) 3.350 16.518 ( -3.717 3.469 -1.363) 5.264 16.854 ( -3.745 11.999 0.285) 12.573 16.989 ( 1.947 -3.352 14.975) 15.468 17.747 ( -3.219 4.127 -4.119) 6.661 17.975 ( 3.744 0.135 13.073) 13.599 18.248 ( -6.676 -3.366 7.946) 10.911 19.497 ( 14.739 -17.933 -15.418) 27.866 20.205 ( 9.895 9.982 -27.184) 30.603 20.905 ( 18.983 3.799 2.209) 19.485 21.095 ( 14.043 14.129 7.137) 21.161 21.680 ( 1.247 7.872 -3.142) 8.567 21.972 ( 9.418 -7.356 4.352) 12.718 22.638 ( -9.951 -5.440 21.399) 24.218 23.295 ( -0.418 -0.661 -4.544) 4.611 23.544 ( 4.321 9.702 -2.899) 11.009 24.063 ( 0.422 -0.358 4.204) 4.240 24.294 ( -1.112 2.094 -2.127) 3.185 24.537 ( 1.511 -8.068 -2.133) 8.481 24.826 ( -6.023 0.838 -0.445) 6.097 25.165 ( -1.448 -7.864 3.688) 8.805 25.703 ( -11.115 5.292 -0.687) 12.329 26.086 ( -15.370 -7.303 -6.966) 18.388 26.295 ( 0.947 2.219 0.849) 2.558 27.160 ( -3.511 -2.186 1.171) 4.298 27.775 ( 4.785 2.661 -5.017) 7.426 28.089 ( 1.505 -1.214 1.665) 2.551 33.990 ( -2.031 -0.644 4.936) 5.376 34.315 ( -7.480 -2.482 -3.823) 8.759 35.111 ( 6.510 2.163 1.102) 6.948======================= Grid point 183 (63/189) =======================q-point: (-0.17 0.17 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.418 ( -60.886 -16.343 14.281) 64.638 6.142 ( -70.889 -19.775 16.068) 75.329 8.677 ( -89.589 -30.000 4.106) 94.567 12.196 ( 46.378 12.880 -5.264) 48.420 13.651 ( 21.741 4.829 -22.590) 31.722 13.762 ( 30.545 12.350 7.313) 33.750 16.207 ( -14.540 -2.876 -5.034) 15.653 16.647 ( 8.743 2.677 0.657) 9.168 17.046 ( 12.124 8.773 -1.463) 15.037 17.102 ( 4.243 -5.848 15.739) 17.318 17.687 ( -2.616 6.949 -4.835) 8.860 18.087 ( -0.779 -5.048 11.640) 12.711 18.186 ( -3.755 -1.144 6.928) 7.963 19.652 ( 28.195 -6.740 -15.018) 32.649 20.335 ( 9.942 17.949 -24.483) 31.943 21.166 ( 12.052 2.897 -2.864) 12.722 21.449 ( 7.886 5.218 4.636) 10.532 21.639 ( -9.247 1.144 -0.503) 9.331 22.298 ( 24.319 -3.008 11.421) 27.035 22.553 ( -7.236 -6.139 18.596) 20.877 23.251 ( -0.665 0.456 -4.594) 4.664 23.712 ( 7.359 8.838 -5.115) 12.587 24.109 ( 1.721 0.466 3.682) 4.091 24.280 ( -1.095 0.835 -0.362) 1.424 24.471 ( -0.513 -6.692 0.949) 6.778 24.713 ( -7.683 2.477 -1.268) 8.172 25.051 ( -4.020 -8.898 -0.801) 9.797 25.488 ( -16.749 0.425 -2.943) 17.011 25.680 ( -20.256 -4.996 2.638) 21.029 26.353 ( 2.822 1.711 -1.182) 3.505 27.037 ( -7.281 -2.621 -1.937) 7.977 27.874 ( 5.865 2.944 -2.328) 6.963 28.120 ( 2.158 -0.567 1.001) 2.446 33.976 ( -1.842 -1.653 3.916) 4.633 34.153 ( -7.043 -1.025 -1.505) 7.274 35.242 ( 6.157 1.613 -0.241) 6.369======================= Grid point 184 (64/189) =======================q-point: (-0.08 0.17 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.305 ( -66.073 -17.524 30.971) 75.047 4.839 ( -76.415 -17.656 29.206) 83.690 6.833 (-107.775 -16.191 30.577) 113.192 12.952 ( 41.579 5.541 -25.715) 49.201 13.961 ( 23.993 5.074 -18.443) 30.685 14.364 ( 24.901 7.842 -3.400) 26.327 15.904 ( -15.636 -0.174 0.369) 15.642 16.784 ( 3.883 1.650 2.481) 4.894 17.236 ( 6.334 -7.625 17.960) 20.514 17.366 ( 16.741 5.304 -0.554) 17.570 17.761 ( 3.001 7.617 2.039) 8.437 18.081 ( 0.007 -5.531 9.144) 10.686 18.144 ( -2.430 -3.326 3.515) 5.415 19.993 ( 28.703 -2.277 -26.042) 38.824 20.596 ( 11.962 25.113 -18.696) 33.515 21.355 ( 9.445 2.036 -4.304) 10.578 21.440 ( -11.292 -1.864 -1.852) 11.593 21.595 ( 4.424 -0.594 7.665) 8.870 22.416 ( -6.965 -13.887 25.758) 30.081 22.826 ( 23.307 -0.833 2.470) 23.452 23.238 ( 0.813 3.222 -3.266) 4.659 23.880 ( 8.745 5.101 -8.456) 13.191 24.173 ( 2.370 -0.117 3.416) 4.159 24.266 ( -1.017 -1.682 1.457) 2.447 24.389 ( -5.211 -1.863 2.833) 6.217 24.625 ( -4.969 3.701 -2.320) 6.616 24.808 ( -10.879 -5.276 -11.789) 16.888 25.149 ( -16.808 -4.155 3.270) 17.620 25.388 ( -18.377 -0.403 14.398) 23.349 26.396 ( 2.411 0.556 -3.330) 4.148 26.849 ( -9.565 -1.701 -3.778) 10.423 27.984 ( 4.928 2.366 -1.598) 5.695 28.166 ( 3.000 -0.333 1.275) 3.277 33.942 ( -1.587 -3.038 1.506) 3.744 34.047 ( -5.790 1.352 2.807) 6.576 35.346 ( 5.250 0.814 -1.522) 5.527======================= Grid point 188 (65/189) =======================q-point: ( 0.25 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.403 ( 0.000 42.973 64.949) 77.878 5.517 ( 0.000 60.977 59.144) 84.948 8.246 ( 0.000 56.062 108.923) 122.503 12.192 ( -0.000 -29.912 -37.185) 47.723 13.163 ( -0.000 -7.940 -44.669) 45.369 13.391 ( -0.000 -8.184 -51.013) 51.665 16.528 ( 0.000 -2.740 34.044) 34.154 17.340 ( -0.000 -14.276 -9.308) 17.043 17.377 ( -0.000 -12.625 18.530) 22.422 17.912 ( -0.000 -6.429 2.841) 7.029 17.971 ( -0.000 -6.162 9.976) 11.726 18.348 ( 0.000 0.359 8.117) 8.125 18.486 ( 0.000 -2.488 8.505) 8.861 19.373 ( -0.000 -11.467 -15.537) 19.310 19.616 ( -0.000 -18.736 -33.247) 38.163 21.130 ( -0.000 -6.759 -15.326) 16.750 21.240 ( 0.000 10.846 -1.122) 10.904 22.153 ( -0.000 -7.045 4.012) 8.108 22.643 ( -0.000 1.436 -9.110) 9.223 23.247 ( -0.000 -1.588 -2.315) 2.807 23.495 ( 0.000 11.220 -15.400) 19.053 23.512 ( 0.000 5.432 20.019) 20.743 23.923 ( -0.000 -17.088 -9.215) 19.414 24.259 ( 0.000 9.448 0.667) 9.472 24.428 ( 0.000 2.289 8.928) 9.217 24.483 ( 0.000 -2.002 4.831) 5.230 24.844 ( 0.000 -2.806 10.106) 10.489 25.264 ( 0.000 12.476 7.412) 14.512 25.768 ( 0.000 8.403 19.017) 20.791 26.177 ( -0.000 -1.128 -10.952) 11.010 26.455 ( 0.000 10.505 -10.999) 15.210 27.909 ( -0.000 -0.757 -5.517) 5.568 28.308 ( -0.000 -6.045 3.428) 6.949 34.030 ( 0.000 1.625 4.773) 5.042 34.167 ( 0.000 3.246 7.037) 7.749 35.295 ( -0.000 -3.498 -4.683) 5.845======================= Grid point 189 (66/189) =======================q-point: ( 0.33 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.230 ( 4.787 45.145 56.505) 72.483 6.727 ( 23.094 50.256 55.191) 78.135 9.628 ( 16.927 50.359 89.488) 104.070 11.549 ( -10.981 -30.784 -33.566) 46.850 12.603 ( -15.369 -7.666 -42.461) 45.803 13.129 ( 11.736 -8.637 -48.016) 50.179 16.702 ( -1.425 -3.518 30.443) 30.679 17.108 ( -2.625 -14.827 -9.259) 17.676 17.333 ( -2.717 -14.737 14.009) 20.513 17.735 ( -11.547 -6.067 7.255) 14.926 17.990 ( -4.236 -2.006 5.334) 7.101 18.188 ( -8.707 -11.981 -2.490) 15.019 18.579 ( 6.655 -1.911 5.256) 8.693 19.157 ( -2.884 -10.805 -8.422) 14.000 19.381 ( 11.495 -13.799 -21.924) 28.341 20.941 ( -1.226 -7.410 -16.282) 17.931 21.365 ( 3.543 9.046 -1.285) 9.800 22.086 ( -4.603 -1.548 -0.593) 4.893 22.618 ( 2.270 1.960 -6.921) 7.543 23.106 ( -15.633 -1.824 -1.026) 15.773 23.380 ( -7.348 -12.235 -6.960) 15.878 23.500 ( -7.461 8.649 6.207) 13.000 23.906 ( 10.450 -3.225 -6.977) 12.973 24.355 ( -2.006 6.331 1.417) 6.791 24.501 ( 0.778 2.694 8.693) 9.134 24.531 ( 1.288 1.574 4.910) 5.315 24.970 ( 8.677 -1.330 10.605) 13.767 25.433 ( 1.786 10.791 5.789) 12.376 26.024 ( 4.646 6.631 12.645) 15.015 26.086 ( 0.615 1.039 -7.057) 7.160 26.528 ( 4.858 9.051 -10.976) 15.032 27.873 ( 0.278 0.070 -5.047) 5.055 28.248 ( -1.846 -6.869 2.983) 7.714 34.057 ( -2.312 1.933 5.061) 5.890 34.280 ( 3.601 3.272 6.319) 7.975 35.211 ( -2.026 -3.803 -4.589) 6.295======================= Grid point 190 (67/189) =======================q-point: ( 0.42 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.191 ( 16.617 39.151 48.686) 64.647 7.942 ( 25.966 38.704 47.551) 66.583 10.481 ( -15.005 -11.319 7.408) 20.203 11.124 ( 4.178 17.873 19.232) 26.585 12.051 ( -8.426 -3.828 -30.010) 31.405 12.934 ( 11.522 -7.747 -44.955) 47.050 16.774 ( -4.659 -7.111 13.976) 16.358 16.895 ( -1.400 -11.772 4.619) 12.723 17.174 ( -7.447 -14.151 10.931) 19.370 17.583 ( -8.962 -1.612 12.731) 15.652 17.721 ( -18.088 -0.974 -3.143) 18.385 18.082 ( 5.426 -12.357 3.707) 13.996 18.700 ( 3.767 0.140 6.008) 7.093 18.983 ( 6.519 -14.117 -14.938) 21.563 19.325 ( 6.255 -8.132 -13.225) 16.738 20.744 ( -0.471 -6.563 -16.240) 17.523 21.502 ( 4.471 5.474 -1.569) 7.240 21.952 ( -9.311 0.022 -3.059) 9.801 22.584 ( -28.197 -9.211 4.717) 30.036 22.685 ( -0.170 0.949 -4.656) 4.755 23.190 ( 2.237 -4.176 -14.007) 14.786 23.514 ( -5.880 7.704 6.207) 11.509 23.997 ( 8.184 -2.883 -3.368) 9.307 24.327 ( -5.260 0.427 3.101) 6.121 24.556 ( -0.195 -1.834 5.089) 5.413 24.664 ( 4.281 7.766 2.043) 9.100 25.172 ( 3.756 1.626 11.855) 12.541 25.643 ( 7.698 8.685 4.289) 12.373 25.966 ( -0.854 -0.353 -11.008) 11.047 26.373 ( 10.034 7.663 14.215) 19.012 26.628 ( 5.715 6.481 -10.481) 13.584 27.848 ( 0.161 0.634 -5.181) 5.222 28.159 ( -2.494 -7.025 2.945) 8.015 34.066 ( -2.709 1.777 5.271) 6.187 34.424 ( 4.806 3.208 4.935) 7.599 35.092 ( -3.832 -3.884 -4.254) 6.919======================= Grid point 191 (68/189) =======================q-point: ( 0.50 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.173 ( 24.110 27.586 38.842) 53.394 8.873 ( 13.668 13.645 22.886) 29.946 9.886 ( -21.238 -5.527 5.596) 22.647 11.113 ( -21.251 4.276 -20.413) 29.776 12.161 ( 14.147 4.545 7.941) 16.848 12.793 ( 12.791 -4.973 -38.512) 40.885 16.669 ( -2.928 -3.823 2.281) 5.328 16.790 ( -6.953 -12.468 9.565) 17.184 17.037 ( -4.779 -8.430 16.687) 19.297 17.422 ( -12.764 -0.222 3.814) 13.323 17.640 ( -4.797 11.730 17.076) 21.264 18.079 ( 3.937 -10.663 3.891) 12.014 18.742 ( -1.170 -1.924 0.282) 2.269 18.965 ( 17.756 -10.152 -11.669) 23.548 19.236 ( 3.669 -8.440 -14.092) 16.831 20.598 ( 2.153 -4.295 -15.035) 15.784 21.544 ( -16.433 -0.368 3.047) 16.717 21.628 ( -8.890 -17.640 -4.846) 20.339 22.076 ( -17.421 8.017 -3.044) 19.417 22.756 ( 3.609 1.730 -0.099) 4.003 23.149 ( 5.110 -1.043 -10.766) 11.963 23.523 ( -5.032 7.277 2.204) 9.118 24.096 ( 6.773 -2.517 2.177) 7.546 24.252 ( -4.950 -1.233 3.122) 5.980 24.555 ( 0.721 -3.975 2.250) 4.624 24.803 ( 2.685 5.783 0.516) 6.397 25.277 ( -1.969 2.276 10.799) 11.210 25.838 ( 1.657 5.617 -6.209) 8.535 25.950 ( 7.328 2.521 -0.807) 7.791 26.693 ( 4.223 5.466 -9.716) 11.921 26.702 ( 9.295 3.719 11.801) 15.476 27.813 ( -0.762 0.652 -6.221) 6.301 28.077 ( -1.440 -6.323 3.235) 7.247 34.071 ( -2.656 1.326 5.316) 6.089 34.567 ( 5.043 3.048 2.996) 6.610 34.951 ( -5.041 -3.781 -3.440) 7.179======================= Grid point 192 (69/189) =======================q-point: ( 0.58 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.578 ( -10.523 -26.694 -19.081) 34.459 9.103 ( 10.430 28.443 31.910) 44.000 9.991 ( -19.397 8.143 41.794) 46.790 10.768 ( 1.788 17.838 -21.212) 27.772 12.288 ( 9.429 -15.378 -8.495) 19.939 12.758 ( 12.964 -3.863 -29.407) 32.369 16.536 ( -8.886 -9.162 5.802) 14.020 16.731 ( -0.966 9.913 2.598) 10.293 17.013 ( -2.170 -7.663 12.975) 15.224 17.280 ( -8.773 2.792 6.459) 11.246 17.806 ( -9.690 12.372 18.941) 24.611 18.051 ( -0.092 -7.230 4.303) 8.414 18.718 ( -1.501 1.412 1.016) 2.298 19.098 ( 13.535 -19.588 -19.767) 30.946 19.229 ( 20.522 3.494 -2.463) 20.962 20.517 ( 1.837 -5.473 -13.281) 14.481 20.893 ( -26.721 -16.516 7.228) 32.234 21.537 ( 2.073 -3.219 -11.851) 12.454 22.015 ( -6.255 12.848 0.448) 14.297 22.815 ( 1.521 -0.612 2.400) 2.906 23.183 ( 5.958 -0.192 -6.991) 9.188 23.517 ( -3.723 7.275 -2.762) 8.626 24.152 ( -3.630 -1.881 6.764) 7.903 24.229 ( 3.942 -1.272 2.377) 4.775 24.531 ( 0.554 -5.223 0.831) 5.318 24.873 ( 1.613 1.357 -0.219) 2.119 25.306 ( -4.370 1.965 7.936) 9.270 25.845 ( 0.799 5.920 -7.326) 9.453 26.120 ( 5.861 2.784 1.553) 6.672 26.677 ( -1.632 1.445 -8.379) 8.658 26.968 ( 8.129 2.463 9.317) 12.608 27.752 ( -1.521 0.660 -7.344) 7.529 28.035 ( 0.514 -4.902 3.063) 5.803 34.072 ( -2.520 0.659 5.154) 5.775 34.669 ( 0.819 1.833 -1.686) 2.621 34.829 ( -1.577 -2.497 0.312) 2.970======================= Grid point 193 (70/189) =======================q-point: (-0.33 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.930 ( -28.101 -11.603 -10.405) 32.133 9.182 ( -35.484 -10.699 6.355) 37.603 10.122 ( 9.217 20.346 32.643) 39.554 11.084 ( 7.025 9.092 -5.319) 12.661 12.273 ( 16.482 -10.530 -2.096) 19.670 12.759 ( 16.384 -5.477 -28.467) 33.299 16.378 ( -4.224 -5.549 4.511) 8.306 16.821 ( -9.202 15.128 0.524) 17.715 16.946 ( -1.374 -7.487 5.249) 9.246 17.317 ( -6.231 15.614 9.181) 19.155 17.778 ( -7.303 1.737 8.716) 11.503 17.973 ( -4.166 -6.023 4.207) 8.445 18.620 ( -14.475 1.806 3.762) 15.064 18.998 ( 14.799 -22.400 -22.170) 34.817 19.748 ( 27.349 5.707 -0.041) 27.938 20.275 ( 0.277 -11.455 2.233) 11.674 20.757 ( 5.105 5.356 2.308) 7.750 21.483 ( 4.838 -2.662 -11.384) 12.653 22.034 ( -5.989 8.637 1.885) 10.678 22.823 ( -0.959 -3.812 5.020) 6.376 23.237 ( 4.534 -0.492 -4.159) 6.172 23.513 ( -1.398 8.235 -7.083) 10.951 24.110 ( -3.393 -1.284 6.055) 7.058 24.303 ( 1.911 -0.048 3.800) 4.253 24.482 ( 0.047 -6.591 1.066) 6.677 24.894 ( 1.139 -1.477 0.079) 1.867 25.273 ( -5.306 0.238 4.144) 6.737 25.889 ( -0.201 8.124 -3.638) 8.904 26.204 ( 1.992 0.262 -0.718) 2.134 26.552 ( -7.779 -0.494 -5.693) 9.653 27.142 ( 4.502 -0.177 6.166) 7.637 27.694 ( -0.295 1.815 -7.280) 7.508 28.032 ( 1.708 -3.574 2.254) 4.558 34.065 ( -2.367 -0.225 4.633) 5.207 34.571 ( -6.959 -1.142 -3.688) 7.959 34.894 ( 5.783 0.767 1.921) 6.142======================= Grid point 194 (71/189) =======================q-point: (-0.25 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.238 ( -41.951 -4.371 2.687) 42.263 8.308 ( -54.155 -12.295 9.142) 56.280 10.686 ( -7.332 -0.537 19.539) 20.876 10.891 ( 7.028 -4.212 -11.710) 14.292 12.738 ( 28.669 11.714 9.201) 32.307 12.862 ( 22.697 -3.596 -26.668) 35.203 16.348 ( 2.042 -2.736 3.169) 4.658 16.686 ( -11.477 4.301 -4.013) 12.897 16.970 ( 1.575 -2.676 8.551) 9.098 17.247 ( -21.698 13.680 1.152) 25.676 17.786 ( -1.513 0.111 -4.288) 4.548 18.021 ( 6.172 6.049 16.359) 18.501 18.387 ( -9.277 -7.119 0.752) 11.718 18.880 ( 14.658 -19.393 -17.737) 30.092 19.995 ( 9.998 4.711 -12.981) 17.049 20.597 ( 23.530 1.484 5.698) 24.255 21.054 ( 14.075 12.253 10.905) 21.614 21.519 ( 11.980 -5.078 -6.658) 14.616 21.982 ( -8.267 3.155 0.711) 8.877 22.775 ( -3.350 -7.027 7.789) 11.012 23.262 ( 1.443 -0.028 -2.758) 3.112 23.550 ( 2.364 8.888 -9.275) 13.062 24.098 ( -1.416 -0.919 5.671) 5.916 24.330 ( -1.386 1.356 0.290) 1.961 24.440 ( 1.100 -7.037 5.799) 9.185 24.880 ( -1.180 -1.725 -0.063) 2.091 25.189 ( -5.268 -2.265 0.930) 5.809 25.906 ( -6.123 6.842 -1.771) 9.351 26.178 ( -3.609 -1.491 -3.984) 5.579 26.366 ( -8.394 -0.137 -0.479) 8.409 27.188 ( -0.897 -1.874 1.392) 2.501 27.703 ( 3.151 3.331 -4.282) 6.274 28.047 ( 2.168 -2.465 1.203) 3.496 34.046 ( -2.204 -1.411 3.465) 4.342 34.414 ( -7.909 -0.449 -1.587) 8.080 35.018 ( 6.649 0.772 0.442) 6.709======================= Grid point 195 (72/189) =======================q-point: (-0.17 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.425 ( -55.243 -4.395 16.176) 57.730 7.268 ( -63.913 -10.318 16.543) 66.821 9.877 ( -62.418 -10.417 13.206) 64.645 11.452 ( 39.782 2.475 -11.261) 41.419 13.089 ( 26.259 -1.926 -23.916) 35.570 13.438 ( 28.646 14.734 7.421) 33.057 16.355 ( -4.802 -0.403 -2.946) 5.648 16.579 ( 0.764 0.718 3.462) 3.618 17.010 ( 0.130 0.060 1.451) 1.458 17.077 ( -3.526 -0.920 4.827) 6.048 17.752 ( -0.399 4.977 -3.599) 6.154 18.160 ( -3.198 -7.858 6.953) 10.969 18.238 ( -2.071 -4.589 4.259) 6.594 19.027 ( 24.704 1.032 -12.101) 27.528 20.182 ( 12.458 14.492 -15.472) 24.588 20.943 ( 14.967 2.082 -1.697) 15.206 21.427 ( 5.865 6.384 7.116) 11.215 21.798 ( 24.775 -13.985 2.586) 28.566 21.835 ( -5.240 5.742 1.786) 7.976 22.675 ( -5.078 -10.313 9.851) 15.139 23.258 ( -0.851 2.101 -1.938) 2.982 23.639 ( 5.307 7.525 -9.469) 13.208 24.111 ( 0.776 -2.427 3.992) 4.736 24.306 ( -1.704 0.654 0.122) 1.829 24.459 ( 0.291 -2.539 8.642) 9.012 24.816 ( -4.264 -0.442 -1.482) 4.536 25.056 ( -5.816 -4.736 -2.756) 7.991 25.748 ( -14.767 2.214 -4.133) 15.493 26.003 ( -14.789 1.486 5.574) 15.874 26.314 ( 1.060 0.451 -2.192) 2.477 27.110 ( -5.124 -1.375 -2.677) 5.942 27.798 ( 5.312 3.494 -0.808) 6.409 28.072 ( 2.514 -1.641 0.162) 3.007 34.005 ( -2.091 -2.747 1.588) 3.800 34.283 ( -7.676 1.193 1.699) 7.952 35.137 ( 6.722 0.224 -0.951) 6.792======================= Grid point 196 (73/189) =======================q-point: (-0.08 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.510 ( -62.956 -5.089 29.213) 69.590 6.179 ( -69.870 -5.607 28.443) 75.646 8.717 ( -86.905 7.649 35.083) 94.031 12.037 ( 43.649 -4.331 -26.955) 51.483 13.359 ( 27.129 -3.711 -27.691) 38.943 14.047 ( 22.868 11.831 0.060) 25.747 16.167 ( -12.772 1.782 -0.248) 12.898 16.731 ( 8.195 0.828 7.703) 11.278 17.073 ( 8.893 -6.406 4.691) 11.922 17.149 ( 10.649 -1.981 2.535) 11.125 17.812 ( 1.524 3.973 -0.252) 4.262 18.071 ( 2.520 -8.933 0.854) 9.321 18.169 ( -4.672 -6.101 11.014) 13.430 19.406 ( 22.316 6.759 -17.120) 28.927 20.499 ( 13.946 24.888 -18.576) 34.043 21.162 ( 11.208 1.496 -4.455) 12.154 21.558 ( -0.411 2.120 0.629) 2.250 21.617 ( -6.123 -6.660 7.024) 11.453 22.272 ( 25.833 -14.626 8.801) 30.963 22.554 ( -1.838 -10.630 8.481) 13.722 23.263 ( -0.752 4.313 -0.923) 4.474 23.729 ( 6.076 2.609 -9.910) 11.913 24.121 ( 2.365 -5.111 1.741) 5.894 24.303 ( -1.089 1.824 2.462) 3.252 24.491 ( -3.087 1.512 7.198) 7.977 24.722 ( -5.380 3.552 -6.402) 9.085 24.867 ( -7.141 -4.410 -2.548) 8.771 25.460 ( -18.109 1.898 0.381) 18.212 25.809 ( -17.736 3.339 12.829) 22.143 26.326 ( 2.426 -0.534 -4.921) 5.513 26.967 ( -7.827 0.403 -4.805) 9.193 27.921 ( 4.887 2.897 0.280) 5.687 28.105 ( 3.352 -1.446 0.001) 3.650 33.947 ( -1.834 -3.093 0.582) 3.643 34.200 ( -6.724 2.445 4.653) 8.535 35.236 ( 6.272 -0.535 -2.210) 6.672======================= Grid point 201 (74/189) =======================q-point: ( 0.33 0.33 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.931 ( 0.000 31.537 50.216) 59.298 7.430 ( 0.000 57.811 50.445) 76.726 10.596 ( 0.000 49.977 82.930) 96.825 11.107 ( -0.000 -31.203 -30.604) 43.707 12.468 ( -0.000 -5.165 -38.731) 39.074 12.548 ( -0.000 -10.094 -46.071) 47.164 16.860 ( 0.000 -6.472 25.842) 26.640 16.929 ( -0.000 -13.840 -7.070) 15.541 17.288 ( -0.000 -15.545 10.604) 18.817 17.859 ( -0.000 -5.874 6.175) 8.523 17.866 ( -0.000 -13.564 -2.258) 13.750 18.204 ( -0.000 -13.687 -6.543) 15.171 18.493 ( 0.000 4.518 4.724) 6.537 18.752 ( -0.000 -24.463 -25.851) 35.590 19.348 ( 0.000 2.773 12.388) 12.695 20.760 ( -0.000 -8.344 -17.174) 19.094 21.388 ( 0.000 4.777 -3.095) 5.692 22.144 ( 0.000 3.519 -0.012) 3.519 22.560 ( -0.000 3.116 -8.216) 8.787 23.121 ( -0.000 -6.315 -14.264) 15.600 23.320 ( -0.000 -19.309 7.232) 20.619 23.662 ( 0.000 13.506 -19.133) 23.420 23.793 ( 0.000 0.781 10.789) 10.817 24.498 ( -0.000 -3.236 4.890) 5.864 24.499 ( 0.000 12.833 1.400) 12.909 24.680 ( 0.000 6.551 15.841) 17.142 24.882 ( -0.000 -5.630 8.088) 9.854 25.554 ( 0.000 9.617 2.641) 9.973 25.997 ( -0.000 -1.718 -11.445) 11.573 26.166 ( 0.000 7.269 16.775) 18.282 26.505 ( 0.000 9.381 -11.158) 14.577 27.845 ( -0.000 1.098 -4.471) 4.604 28.208 ( -0.000 -7.831 2.480) 8.214 34.135 ( 0.000 2.336 4.759) 5.301 34.319 ( 0.000 2.996 5.901) 6.618 35.161 ( -0.000 -3.817 -4.319) 5.764======================= Grid point 202 (75/189) =======================q-point: ( 0.42 0.33 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.572 ( 9.324 20.797 40.156) 46.173 8.383 ( 9.225 49.271 44.328) 66.915 10.533 ( -12.155 -21.683 -18.669) 31.087 11.585 ( 2.140 35.630 53.058) 63.947 11.958 ( -10.735 -4.770 -35.098) 37.011 12.388 ( 11.674 -4.934 -35.851) 38.025 16.728 ( -1.142 -11.478 -5.578) 12.813 16.938 ( -2.144 -10.212 21.559) 23.951 17.177 ( -2.186 -14.380 8.413) 16.804 17.651 ( 1.170 -14.613 -5.792) 15.762 17.810 ( -3.384 -10.066 -0.063) 10.620 18.040 ( -5.072 -0.907 5.667) 7.659 18.400 ( 9.222 -26.604 -14.855) 31.835 18.684 ( 3.953 8.474 0.137) 9.352 19.410 ( -5.620 2.476 10.665) 12.307 20.563 ( 0.147 -7.700 -16.923) 18.593 21.410 ( 4.059 -2.602 -5.382) 7.225 22.120 ( -7.388 3.503 0.562) 8.195 22.591 ( 4.428 3.859 -5.371) 7.960 22.916 ( -3.322 -18.153 -8.521) 20.326 23.052 ( -15.300 1.468 -6.322) 16.620 23.663 ( -2.412 10.499 -10.802) 15.256 23.883 ( 3.857 -2.130 8.001) 9.134 24.441 ( -4.836 -1.103 3.990) 6.366 24.647 ( -4.761 2.076 5.430) 7.514 24.705 ( 0.378 6.834 5.444) 8.745 25.128 ( 13.995 2.227 13.370) 19.482 25.652 ( 1.600 6.589 0.854) 6.834 25.897 ( -0.806 -1.196 -10.925) 11.019 26.395 ( 6.184 6.174 14.277) 16.739 26.550 ( 3.292 7.548 -10.135) 13.058 27.830 ( -0.248 1.876 -4.501) 4.883 28.134 ( -1.216 -7.993 2.486) 8.458 34.165 ( -2.408 2.119 4.770) 5.748 34.413 ( 3.322 2.694 4.414) 6.146 35.079 ( -2.046 -3.600 -3.834) 5.643======================= Grid point 203 (76/189) =======================q-point: ( 0.50 0.33 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.113 ( 15.473 -2.901 20.617) 25.940 9.200 ( 2.979 37.627 31.209) 48.976 10.168 ( -6.352 3.101 5.044) 8.684 11.401 ( -21.180 -1.584 -19.388) 28.758 12.012 ( 5.400 -1.402 -16.954) 17.848 12.456 ( 4.955 10.259 -0.460) 11.402 16.636 ( 2.657 -4.376 0.903) 5.199 16.852 ( -6.706 -12.879 11.087) 18.269 17.081 ( -1.576 -12.204 11.454) 16.811 17.552 ( 3.151 -7.917 -8.379) 11.950 17.744 ( 1.619 -1.945 14.750) 14.966 18.025 ( 2.706 -2.770 -1.162) 4.043 18.273 ( 12.188 -19.827 -8.693) 24.844 18.812 ( -0.435 8.198 3.260) 8.833 19.356 ( -9.468 2.626 6.830) 11.966 20.408 ( 2.222 -5.317 -15.315) 16.364 21.365 ( 4.825 -15.194 -8.442) 18.039 21.945 ( -18.023 -3.571 4.322) 18.875 22.471 ( -22.552 4.198 -8.563) 24.486 22.695 ( 3.774 3.986 -2.003) 5.844 22.937 ( 5.696 -4.679 -7.982) 10.865 23.627 ( -2.698 10.523 -17.130) 20.284 24.010 ( 5.402 -3.337 13.574) 14.986 24.369 ( -5.427 -1.467 4.646) 7.293 24.576 ( -4.441 -3.356 6.420) 8.497 24.837 ( 1.344 6.931 0.681) 7.093 25.408 ( 2.434 5.178 12.989) 14.193 25.786 ( 6.541 2.904 -1.877) 7.399 25.820 ( 3.479 0.474 -8.952) 9.616 26.611 ( 4.157 6.263 -10.041) 12.543 26.668 ( 8.216 3.353 12.841) 15.609 27.805 ( -1.212 2.038 -5.569) 6.053 28.053 ( -1.255 -7.287 3.105) 8.019 34.167 ( -2.970 1.409 4.609) 5.661 34.531 ( 4.522 2.441 2.548) 5.736 34.971 ( -3.837 -3.224 -3.038) 5.861======================= Grid point 204 (77/189) =======================q-point: ( 0.58 0.33 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.200 ( 6.362 -23.379 -5.211) 24.783 9.658 ( -7.700 33.402 25.181) 42.533 10.509 ( 7.199 16.902 32.401) 37.247 10.915 ( -19.012 4.705 -15.583) 25.028 11.861 ( 6.506 -14.295 -25.971) 30.351 12.487 ( -2.282 -1.130 -10.025) 10.343 16.636 ( -8.639 -8.750 5.248) 13.369 16.781 ( 7.214 6.670 5.481) 11.250 17.018 ( -0.611 -9.708 8.341) 12.813 17.477 ( -3.063 0.304 -0.921) 3.213 17.826 ( 0.918 -7.008 2.795) 7.600 18.045 ( 11.766 -15.706 -14.836) 24.601 18.460 ( 15.266 8.649 19.119) 25.949 18.884 ( 3.134 0.132 4.993) 5.897 19.263 ( -11.522 7.768 4.835) 14.713 20.326 ( 3.502 -4.306 -13.393) 14.497 21.081 ( -9.379 -29.935 -3.299) 31.543 21.523 ( -18.970 -0.115 -4.357) 19.464 22.279 ( -9.207 14.500 -4.248) 17.694 22.772 ( 2.899 0.799 -0.661) 3.079 22.988 ( 9.039 -2.991 -5.253) 10.874 23.565 ( -1.585 10.178 -20.414) 22.865 24.156 ( 4.002 -3.411 12.730) 13.774 24.301 ( -4.785 -1.657 8.341) 9.758 24.523 ( -2.366 -3.926 5.575) 7.218 24.878 ( -1.108 1.822 -0.738) 2.256 25.491 ( -6.331 5.064 7.811) 11.258 25.801 ( 4.256 3.644 -7.331) 9.227 25.999 ( 10.441 0.648 -0.790) 10.491 26.651 ( 1.499 4.061 -8.174) 9.250 26.912 ( 8.027 1.149 10.394) 13.183 27.752 ( -2.254 1.959 -6.915) 7.532 27.998 ( -0.078 -5.721 3.503) 6.708 34.155 ( -2.894 0.375 4.033) 4.978 34.642 ( 4.086 2.405 0.186) 4.745 34.852 ( -4.347 -2.891 -1.301) 5.380======================= Grid point 205 (78/189) =======================q-point: (-0.33 0.33 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.984 ( -2.799 -12.520 -6.978) 14.604 9.725 ( -28.618 5.064 9.263) 30.503 10.635 ( -12.025 18.348 28.056) 35.614 11.017 ( 3.076 1.884 -4.220) 5.552 11.783 ( 22.957 -7.285 -12.336) 27.061 12.356 ( 4.453 -4.575 -15.317) 16.594 16.448 ( -7.078 -6.089 4.096) 10.195 16.900 ( 0.047 -9.127 3.916) 9.932 17.093 ( -1.903 16.591 0.085) 16.700 17.525 ( 4.081 11.112 11.516) 16.515 17.754 ( 2.838 -9.015 -4.901) 10.646 17.922 ( 5.771 -13.014 -20.335) 24.824 18.674 ( -9.540 -1.281 9.960) 13.851 19.125 ( -22.560 10.253 3.298) 24.999 19.297 ( 31.842 1.321 15.987) 35.654 20.128 ( -3.253 -17.295 -8.849) 19.697 20.750 ( 1.420 -5.947 3.497) 7.044 21.320 ( -1.062 -1.944 -8.690) 8.968 22.260 ( -7.553 11.693 -2.556) 14.153 22.796 ( 1.221 -3.155 1.063) 3.546 23.094 ( 8.242 -0.520 -3.304) 8.895 23.512 ( 0.135 9.773 -20.164) 22.408 24.187 ( -2.404 -2.759 4.673) 5.935 24.329 ( 0.118 -2.918 14.302) 14.597 24.485 ( -2.531 -3.532 6.462) 7.788 24.859 ( 0.089 -1.297 -0.692) 1.473 25.421 ( -7.986 1.521 0.732) 8.163 25.911 ( 4.370 7.705 -2.462) 9.194 26.126 ( 5.649 -1.386 -1.806) 6.090 26.625 ( -3.334 2.625 -5.314) 6.801 27.091 ( 5.716 -1.394 7.530) 9.556 27.691 ( -1.742 3.047 -6.934) 7.771 27.981 ( 1.242 -4.213 2.744) 5.179 34.128 ( -2.664 -0.909 2.929) 4.062 34.658 ( -4.885 1.382 -2.260) 5.558 34.815 ( 3.967 -1.336 1.300) 4.383======================= Grid point 206 (79/189) =======================q-point: (-0.25 0.33 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.767 ( -17.525 1.752 3.489) 17.954 9.108 ( -43.493 -6.046 8.564) 44.738 10.637 ( -5.034 -14.963 -17.539) 23.597 10.997 ( -2.695 8.107 24.619) 26.059 12.202 ( 28.061 -4.533 -18.974) 34.176 12.518 ( 19.555 14.617 6.424) 25.245 16.345 ( -2.428 -3.338 3.920) 5.693 16.788 ( -3.501 -5.003 -6.555) 8.959 17.090 ( -8.925 2.656 9.700) 13.446 17.674 ( -9.179 3.317 -13.082) 16.321 17.722 ( 6.715 -5.507 -13.555) 16.098 18.024 ( 11.900 23.302 9.450) 27.819 18.379 ( -18.167 -19.351 6.041) 27.222 18.763 ( -15.095 -2.922 0.904) 15.401 19.759 ( 14.316 1.255 -5.127) 15.258 20.211 ( 24.547 -3.986 9.749) 26.711 20.919 ( 14.951 -0.694 2.286) 15.141 21.309 ( 3.980 1.610 -1.039) 4.418 22.183 ( -9.484 5.799 -3.052) 11.528 22.769 ( -0.594 -5.754 2.071) 6.144 23.202 ( 5.092 1.981 -1.387) 5.637 23.506 ( 2.584 9.307 -16.551) 19.163 24.138 ( -2.192 -4.022 3.068) 5.513 24.365 ( -1.035 -0.971 3.636) 3.903 24.471 ( -2.289 -4.385 15.453) 16.225 24.857 ( 1.079 -1.375 -0.156) 1.755 25.278 ( -7.325 -1.458 -3.857) 8.406 26.019 ( -0.471 6.727 -1.090) 6.831 26.152 ( 1.845 -0.960 -2.636) 3.358 26.524 ( -8.169 2.000 -0.906) 8.459 27.169 ( 1.823 -2.957 2.539) 4.303 27.682 ( 0.909 4.629 -3.921) 6.134 27.989 ( 2.144 -2.940 1.257) 3.850 34.083 ( -2.472 -2.269 1.374) 3.626 34.549 ( -7.522 1.412 0.449) 7.666 34.907 ( 6.458 -0.630 -0.349) 6.498======================= Grid point 207 (80/189) =======================q-point: (-0.17 0.33 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.372 ( -41.283 3.964 17.246) 44.916 8.306 ( -53.058 -4.709 15.199) 55.393 10.351 ( 6.120 -15.415 -18.361) 24.743 11.133 ( -9.304 8.587 18.479) 22.400 12.435 ( 26.000 -6.796 -22.882) 35.295 13.186 ( 26.042 19.063 8.905) 33.480 16.347 ( 1.775 -1.518 3.371) 4.101 16.627 ( -4.371 -2.167 -6.221) 7.906 17.032 ( -4.450 -5.095 10.902) 12.831 17.324 ( -20.424 1.331 -13.230) 24.371 17.764 ( 2.681 3.895 -1.016) 4.836 17.884 ( 2.076 -23.770 -12.218) 26.806 18.382 ( -6.713 1.332 9.904) 12.038 18.819 ( 11.550 18.516 5.791) 22.578 19.986 ( 14.455 11.611 -11.417) 21.774 20.657 ( 21.632 -1.609 4.535) 22.161 21.182 ( 24.238 -14.893 -2.785) 28.584 21.462 ( 4.075 7.119 8.049) 11.492 22.026 ( -9.911 0.943 -1.338) 10.045 22.686 ( -2.972 -8.166 2.728) 9.108 23.282 ( 1.190 3.808 0.452) 4.015 23.557 ( 4.236 7.003 -11.545) 14.152 24.078 ( -0.361 -5.988 1.027) 6.086 24.352 ( -1.580 1.227 0.724) 2.127 24.524 ( -0.498 -2.387 16.750) 16.927 24.845 ( -1.307 -0.181 -1.625) 2.093 25.098 ( -6.585 -3.172 -6.643) 9.876 25.960 ( -9.219 1.894 -1.569) 9.541 26.179 ( 0.597 2.966 -1.310) 3.297 26.392 ( -10.182 1.971 3.585) 10.973 27.137 ( -1.904 -2.029 -2.783) 3.935 27.758 ( 3.671 4.554 0.324) 5.858 28.009 ( 2.504 -1.862 -0.351) 3.140 34.019 ( -2.322 -3.162 0.132) 3.925 34.450 ( -7.604 2.410 3.202) 8.595 35.007 ( 6.889 -1.058 -1.721) 7.179======================= Grid point 208 (81/189) =======================q-point: (-0.08 0.33 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.702 ( -55.621 1.271 27.990) 62.280 7.450 ( -58.817 0.988 26.612) 64.564 10.167 ( -31.288 13.787 14.355) 37.082 11.189 ( 16.228 -7.084 -10.795) 20.738 12.649 ( 26.434 -8.357 -27.420) 38.994 13.803 ( 21.122 15.023 0.087) 25.920 16.337 ( -5.479 0.893 -0.452) 5.569 16.612 ( 8.419 -3.675 4.532) 10.244 16.964 ( -2.133 -7.234 3.371) 8.261 17.042 ( -1.026 -4.376 0.597) 4.534 17.664 ( 6.247 -17.158 -11.879) 21.784 17.926 ( 6.655 6.210 0.503) 9.116 18.297 ( -5.989 -5.616 12.685) 15.110 19.203 ( 7.737 17.242 -4.597) 19.449 20.361 ( 17.529 25.020 -15.660) 34.330 20.953 ( 12.476 1.186 -1.972) 12.687 21.420 ( 23.189 -21.165 0.782) 31.405 21.592 ( 0.554 2.103 4.117) 4.656 21.917 ( 0.570 -3.871 3.704) 5.388 22.546 ( -4.504 -12.617 5.760) 14.583 23.324 ( -1.175 4.354 0.488) 4.536 23.598 ( 3.347 0.309 -9.064) 9.668 24.035 ( 1.901 -5.695 0.626) 6.037 24.348 ( -1.008 0.932 1.209) 1.829 24.617 ( -1.287 3.083 11.615) 12.086 24.792 ( -3.391 4.587 -6.897) 8.950 24.925 ( -5.392 -3.037 -1.999) 6.503 25.767 ( -14.457 1.436 1.217) 14.579 26.177 ( -6.251 3.910 3.592) 8.201 26.277 ( -6.243 0.582 1.569) 6.463 27.044 ( -4.430 0.335 -5.707) 7.232 27.881 ( 4.397 3.599 2.201) 6.094 28.031 ( 2.799 -1.574 -1.303) 3.466 33.951 ( -1.864 -3.013 0.249) 3.552 34.379 ( -7.096 3.061 5.062) 9.238 35.096 ( 6.827 -1.717 -2.849) 7.594======================= Grid point 214 (82/189) =======================q-point: ( 0.42 0.42 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.839 ( 0.000 3.253 28.569) 28.754 9.089 ( 0.000 47.174 40.483) 62.163 10.327 ( -0.000 -11.820 -14.828) 18.963 11.761 ( -0.000 -4.528 -35.155) 35.445 11.965 ( -0.000 0.740 -29.065) 29.075 12.371 ( 0.000 30.261 46.586) 55.552 16.585 ( -0.000 -10.549 -4.483) 11.462 16.980 ( -0.000 -12.739 17.777) 21.870 17.096 ( -0.000 -13.234 4.674) 14.035 17.357 ( -0.000 -19.201 -12.299) 22.803 17.660 ( -0.000 -17.985 -9.241) 20.220 18.085 ( -0.000 -16.562 4.909) 17.274 18.123 ( 0.000 -1.368 7.954) 8.071 18.813 ( 0.000 18.812 3.903) 19.212 19.556 ( 0.000 1.654 9.503) 9.645 20.376 ( -0.000 -7.108 -15.808) 17.332 21.255 ( -0.000 -13.069 -7.833) 15.237 22.215 ( -0.000 -1.145 1.527) 1.908 22.558 ( 0.000 4.679 -4.066) 6.199 22.702 ( -0.000 -7.227 -10.417) 12.679 23.191 ( -0.000 7.378 -17.682) 19.159 23.728 ( 0.000 5.098 0.024) 5.098 23.870 ( 0.000 -2.311 5.225) 5.714 24.494 ( -0.000 -3.401 4.956) 6.011 24.761 ( 0.000 12.040 0.674) 12.059 24.847 ( -0.000 -7.703 7.105) 10.479 25.046 ( 0.000 7.532 13.867) 15.780 25.689 ( 0.000 2.086 -1.841) 2.782 25.839 ( -0.000 1.193 -8.076) 8.164 26.480 ( 0.000 5.401 8.041) 9.687 26.536 ( 0.000 5.894 -3.487) 6.848 27.826 ( -0.000 2.757 -4.711) 5.458 28.081 ( -0.000 -7.948 2.772) 8.417 34.239 ( 0.000 1.927 4.156) 4.581 34.431 ( 0.000 2.003 3.239) 3.808 35.040 ( -0.000 -3.035 -3.218) 4.424======================= Grid point 215 (83/189) =======================q-point: ( 0.50 0.42 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.977 ( 4.041 -13.278 13.946) 19.675 9.767 ( 0.834 37.455 29.293) 47.557 10.239 ( 3.253 5.274 0.676) 6.233 11.433 ( -7.040 -6.443 -25.476) 27.205 11.804 ( -1.085 2.483 -24.182) 24.333 12.791 ( -9.425 18.156 19.984) 28.598 16.519 ( 5.208 -6.306 1.067) 8.248 16.896 ( -4.834 -12.104 8.263) 15.432 17.020 ( 1.113 -11.735 6.151) 13.296 17.206 ( 9.097 -12.254 -12.069) 19.458 17.511 ( 11.327 -20.306 2.260) 23.361 18.006 ( -1.559 -6.434 6.915) 9.573 18.136 ( -1.740 -3.078 7.011) 7.852 19.042 ( -2.768 22.181 7.122) 23.460 19.563 ( -5.921 1.526 5.991) 8.560 20.231 ( 1.305 -4.406 -12.627) 13.437 21.037 ( 2.935 -25.015 -9.455) 26.903 22.138 ( -6.045 -3.235 0.574) 6.880 22.593 ( 0.275 3.361 -4.885) 5.936 22.667 ( 3.715 4.219 -7.026) 8.998 22.997 ( -14.773 6.916 -15.280) 22.350 23.671 ( -6.677 6.259 -10.803) 14.158 23.977 ( 6.368 -3.200 13.088) 14.903 24.458 ( -3.924 -2.014 4.139) 6.048 24.708 ( -8.132 -5.047 8.905) 13.074 24.897 ( 0.933 8.201 0.745) 8.288 25.362 ( 15.311 3.600 7.218) 17.306 25.691 ( 3.428 -0.868 -3.232) 4.791 25.794 ( -3.758 3.057 -4.130) 6.366 26.545 ( 3.038 5.927 -9.287) 11.429 26.668 ( 4.713 1.934 13.237) 14.184 27.811 ( -0.970 2.753 -6.117) 6.778 28.022 ( -0.738 -6.782 3.888) 7.852 34.255 ( -2.562 1.023 3.608) 4.542 34.496 ( 3.346 1.502 1.535) 3.976 34.977 ( -2.098 -2.256 -2.371) 3.888======================= Grid point 216 (84/189) =======================q-point: ( 0.58 0.42 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.916 ( 2.370 -17.309 2.665) 17.673 10.198 ( -0.891 25.056 14.369) 28.897 10.608 ( 16.481 18.191 11.873) 27.267 11.045 ( -13.145 -12.429 -10.687) 21.012 11.630 ( -5.859 1.898 -17.968) 18.994 12.677 ( -19.436 3.157 -2.460) 19.843 16.689 ( 11.768 4.007 4.085) 13.085 16.726 ( -5.860 -9.153 4.740) 11.857 16.970 ( 0.973 -7.559 5.367) 9.321 17.187 ( 12.140 -8.816 -17.950) 23.395 17.649 ( 13.306 -16.547 11.182) 23.998 17.950 ( -9.565 0.153 6.000) 11.292 18.218 ( 18.182 -5.944 8.594) 20.971 19.149 ( -12.711 11.224 6.023) 17.995 19.576 ( -4.436 15.530 9.800) 18.892 20.159 ( 1.887 -3.666 -9.503) 10.359 20.748 ( 3.308 -30.200 -8.096) 31.441 21.899 ( -20.741 -1.028 -3.474) 21.055 22.525 ( -8.693 10.670 -9.099) 16.499 22.746 ( 2.261 4.574 -4.284) 6.663 22.820 ( 1.592 -1.645 -1.075) 2.529 23.550 ( -3.338 9.114 -20.883) 23.028 24.139 ( 4.946 -3.103 13.374) 14.593 24.394 ( -4.009 -1.502 3.343) 5.432 24.613 ( -5.360 -5.602 12.770) 14.940 24.936 ( -3.030 3.114 -0.540) 4.378 25.649 ( 12.015 2.652 -4.134) 12.980 25.704 ( -7.648 2.660 0.524) 8.114 25.799 ( 10.518 0.109 0.510) 10.531 26.596 ( 3.504 4.496 -8.067) 9.878 26.862 ( 6.683 -0.380 11.743) 13.516 27.764 ( -1.970 2.396 -7.495) 8.112 27.980 ( -0.832 -4.812 4.562) 6.683 34.229 ( -3.186 -0.303 2.574) 4.107 34.584 ( 4.652 1.166 0.018) 4.796 34.895 ( -3.918 -1.386 -1.151) 4.313======================= Grid point 217 (85/189) =======================q-point: ( 0.67 0.42 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.846 ( 3.504 -5.936 1.091) 6.979 10.287 ( -21.562 4.867 -2.925) 22.297 10.741 ( 6.366 -17.944 -0.208) 19.041 11.167 ( 12.170 22.085 9.265) 26.865 11.395 ( -8.582 -2.028 -5.412) 10.347 12.360 ( -10.954 3.501 -5.199) 12.621 16.542 ( -7.549 -5.455 2.686) 9.693 16.823 ( 0.754 -8.491 1.195) 8.607 17.158 ( 8.973 7.293 -9.562) 15.005 17.274 ( 19.941 3.547 -4.463) 20.740 17.704 ( 3.340 -4.951 6.244) 8.641 17.780 ( -8.555 -5.055 4.955) 11.104 18.707 ( 31.486 -5.532 7.884) 32.926 18.959 ( -13.952 -2.579 1.306) 14.248 19.777 ( -14.628 21.372 17.134) 31.053 19.959 ( -4.405 -16.846 -7.491) 18.956 20.573 ( 7.157 -10.464 -2.330) 12.890 21.475 ( -19.749 2.624 -5.083) 20.560 22.456 ( -6.437 9.588 -7.534) 13.789 22.755 ( 0.688 -2.851 1.143) 3.148 22.933 ( 8.850 2.265 -1.184) 9.211 23.468 ( -0.514 10.087 -21.933) 24.147 24.220 ( -0.959 -2.483 5.396) 6.017 24.364 ( 0.298 -2.554 5.283) 5.875 24.577 ( -3.769 -6.696 17.543) 19.152 24.882 ( -3.646 0.820 -0.815) 3.825 25.540 ( -6.796 -2.093 -7.705) 10.486 25.866 ( 7.812 6.703 0.235) 10.296 25.978 ( 8.581 -0.853 1.145) 8.699 26.635 ( 1.545 3.672 -6.059) 7.251 27.027 ( 5.723 -3.032 9.669) 11.638 27.707 ( -1.666 3.563 -7.458) 8.432 27.957 ( -0.468 -3.417 3.841) 5.163 34.178 ( -3.103 -1.710 1.152) 3.726 34.673 ( 4.480 1.341 -1.275) 4.847 34.807 ( -4.524 -0.965 0.565) 4.660======================= Grid point 218 (86/189) =======================q-point: (-0.25 0.42 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.957 ( 3.251 9.944 6.061) 12.091 9.746 ( -31.329 -8.618 0.412) 32.495 10.404 ( -11.288 -33.460 -19.396) 40.288 11.327 ( -2.733 11.811 16.576) 20.536 11.639 ( 18.831 3.903 -8.446) 21.004 12.486 ( 10.868 19.569 8.448) 23.925 16.408 ( -5.315 -2.832 3.127) 6.786 16.723 ( -1.608 -6.258 -5.338) 8.381 17.207 ( 8.758 -6.094 -12.518) 16.448 17.390 ( -6.102 -1.337 -3.662) 7.241 17.676 ( 1.305 -3.105 0.216) 3.375 18.144 ( 20.017 28.522 15.388) 38.091 18.623 ( -18.387 -11.514 -0.088) 21.694 18.980 ( -6.531 -16.032 -11.168) 20.601 19.491 ( 6.800 -6.835 6.963) 11.893 20.042 ( -2.167 10.904 12.059) 16.401 20.668 ( 9.753 -1.754 -3.315) 10.449 21.350 ( -0.508 7.469 3.741) 8.369 22.344 ( -7.902 2.416 -7.448) 11.125 22.738 ( -0.370 -3.481 1.316) 3.739 23.118 ( 8.161 4.913 1.019) 9.580 23.444 ( 1.956 9.616 -17.708) 20.245 24.155 ( -3.770 -4.212 0.562) 5.681 24.385 ( 0.258 -1.860 3.486) 3.960 24.579 ( -2.350 -7.272 19.257) 20.718 24.852 ( -1.050 1.311 0.987) 1.948 25.330 ( -6.766 -4.119 -10.251) 12.955 26.038 ( 4.349 4.134 0.126) 6.002 26.082 ( 4.321 0.327 0.176) 4.337 26.636 ( -2.167 3.727 -2.748) 5.112 27.110 ( 2.828 -5.129 5.091) 7.760 27.698 ( 0.293 5.605 -4.601) 7.257 27.947 ( 0.492 -2.467 2.129) 3.295 34.107 ( -2.863 -2.853 -0.167) 4.046 34.695 ( -5.745 3.188 1.074) 6.658 34.783 ( 5.341 -2.329 -0.907) 5.897======================= Grid point 219 (87/189) =======================q-point: (-0.17 0.42 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.104 ( -17.489 16.676 18.110) 30.198 9.131 ( -36.450 -5.664 8.448) 37.843 9.772 ( 4.397 -32.710 -26.159) 42.114 11.532 ( 0.486 6.042 19.366) 20.293 11.858 ( 14.511 1.730 -17.429) 22.746 13.062 ( 19.935 22.867 9.813) 31.884 16.354 ( -1.454 -1.833 5.007) 5.527 16.586 ( -2.135 -4.131 -9.477) 10.556 17.155 ( -2.924 -6.773 0.483) 7.393 17.248 ( 1.574 -5.827 -11.920) 13.361 17.742 ( 3.261 7.727 -0.929) 8.438 17.930 ( -30.443 -29.946 -0.658) 42.708 18.575 ( -11.237 -3.301 0.073) 11.712 18.932 ( 14.620 34.669 10.419) 39.042 19.780 ( 15.699 8.257 -6.144) 18.772 20.228 ( 17.781 -8.785 7.646) 21.256 20.793 ( 9.524 -1.516 -3.759) 10.351 21.521 ( 3.560 7.242 6.858) 10.590 22.154 ( -8.318 -3.951 -3.671) 9.913 22.677 ( -2.766 -4.343 -0.528) 5.176 23.294 ( 4.047 5.177 3.362) 7.381 23.482 ( 3.552 6.691 -11.150) 13.480 24.042 ( -2.702 -5.953 -0.768) 6.582 24.385 ( -0.762 -0.187 1.375) 1.583 24.618 ( -0.171 -4.123 16.725) 17.227 24.862 ( -0.945 1.568 0.811) 2.002 25.110 ( -5.334 -3.878 -11.098) 12.910 26.065 ( -2.296 -0.699 1.641) 2.907 26.155 ( 1.959 2.072 -2.704) 3.929 26.606 ( -5.994 4.782 2.641) 8.110 27.098 ( 0.535 -4.669 -1.353) 4.890 27.764 ( 2.189 5.781 0.126) 6.183 27.953 ( 1.597 -1.413 -0.152) 2.138 34.026 ( -2.494 -3.336 -0.655) 4.216 34.626 ( -7.106 3.093 3.530) 8.516 34.860 ( 6.799 -2.072 -2.581) 7.562======================= Grid point 220 (88/189) =======================q-point: (-0.08 0.42 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.793 ( -46.380 5.143 28.578) 54.719 8.495 ( -42.119 -0.126 18.734) 46.097 9.766 ( 35.827 -11.170 -27.201) 46.350 11.632 ( -20.501 14.415 19.927) 32.018 11.976 ( 21.016 -8.357 -21.676) 31.327 13.636 ( 17.274 18.319 0.095) 25.179 16.383 ( 1.151 -1.182 6.057) 6.277 16.474 ( 1.593 -4.688 -4.985) 7.026 17.039 ( -12.777 -10.414 1.375) 16.541 17.049 ( -4.335 -4.472 -6.572) 9.054 17.311 ( 0.135 -22.875 -2.406) 23.002 17.923 ( 5.525 9.851 1.843) 11.444 18.408 ( -5.529 -5.415 6.651) 10.204 19.365 ( -4.286 23.755 -0.778) 24.151 20.196 ( 21.345 27.288 -12.628) 36.875 20.576 ( 30.001 -16.603 6.995) 34.995 20.905 ( 9.132 -2.542 -4.896) 10.669 21.637 ( 0.601 2.790 3.561) 4.563 21.958 ( -6.504 -7.135 0.435) 9.664 22.541 ( -5.380 -11.213 2.782) 12.744 23.387 ( -0.460 3.605 2.073) 4.184 23.504 ( 1.517 -0.357 -6.821) 6.997 23.964 ( 0.516 -4.641 0.164) 4.673 24.373 ( -1.025 -0.250 0.278) 1.091 24.727 ( 1.829 4.671 9.286) 10.555 24.848 ( -2.725 3.538 -2.951) 5.353 24.952 ( -2.821 -2.376 -3.783) 5.283 25.981 ( -8.500 -1.066 3.155) 9.129 26.145 ( 0.668 -1.442 -5.678) 5.896 26.564 ( -9.423 5.990 8.256) 13.886 27.038 ( -0.468 -2.091 -5.971) 6.344 27.873 ( 3.161 4.328 2.993) 6.138 27.967 ( 1.963 -0.784 -2.156) 3.019 33.954 ( -1.799 -2.957 0.092) 3.463 34.565 ( -6.985 3.378 4.699) 9.071 34.935 ( 6.963 -2.558 -3.433) 8.174======================= Grid point 227 (89/189) =======================q-point: ( 0.50 0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.881 ( -0.000 -16.083 9.542) 18.700 10.215 ( 0.000 22.797 11.531) 25.547 10.244 ( 0.000 5.840 0.142) 5.841 11.329 ( -0.000 -0.296 -8.573) 8.578 11.746 ( -0.000 8.143 -16.146) 18.083 13.123 ( 0.000 10.877 0.193) 10.879 16.397 ( -0.000 -7.212 1.706) 7.411 16.862 ( -0.000 -11.091 2.417) 11.352 16.929 ( -0.000 -6.409 1.737) 6.641 17.001 ( -0.000 -9.097 4.864) 10.315 17.243 ( -0.000 -17.600 8.989) 19.762 17.962 ( -0.000 -8.224 5.259) 9.762 18.197 ( 0.000 -1.474 3.253) 3.572 19.387 ( 0.000 28.298 10.932) 30.336 19.637 ( -0.000 -1.066 0.960) 1.434 20.129 ( -0.000 -0.550 -6.483) 6.507 20.666 ( -0.000 -30.945 -9.582) 32.394 22.135 ( -0.000 -2.154 -3.236) 3.888 22.615 ( 0.000 3.716 -0.613) 3.767 22.649 ( 0.000 6.044 -3.783) 7.130 23.057 ( -0.000 12.006 -32.007) 34.185 23.867 ( 0.000 1.984 10.114) 10.306 23.874 ( -0.000 -2.790 3.409) 4.405 24.511 ( 0.000 -1.308 4.784) 4.960 24.789 ( -0.000 -9.042 9.675) 13.242 24.978 ( 0.000 8.149 0.614) 8.173 25.231 ( 0.000 2.506 -3.567) 4.359 25.617 ( -0.000 -2.331 -2.626) 3.512 25.871 ( 0.000 3.788 2.517) 4.548 26.507 ( -0.000 4.253 -8.780) 9.756 26.727 ( 0.000 0.343 13.172) 13.177 27.801 ( -0.000 2.337 -7.480) 7.837 28.001 ( -0.000 -4.859 5.089) 7.036 34.310 ( 0.000 0.133 2.907) 2.910 34.477 ( 0.000 0.545 -0.220) 0.588 34.966 ( -0.000 -1.039 -1.489) 1.816======================= Grid point 228 (90/189) =======================q-point: ( 0.58 0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.787 ( 0.169 -11.954 5.536) 13.175 10.328 ( 3.939 4.793 2.373) 6.643 10.400 ( 10.137 -2.755 -18.816) 21.550 11.309 ( -11.394 9.011 19.730) 24.500 11.726 ( -4.554 12.178 -8.337) 15.445 12.967 ( -15.288 -0.244 -17.407) 23.169 16.473 ( 13.391 -2.065 2.391) 13.759 16.754 ( -3.393 -7.586 1.331) 8.416 16.911 ( 1.816 -4.540 0.936) 4.979 16.967 ( -0.381 -1.561 2.978) 3.384 17.362 ( 15.452 -10.565 21.403) 28.434 17.964 ( 7.026 -6.542 3.527) 10.227 18.116 ( -6.833 -3.577 -1.311) 7.823 19.463 ( -12.683 1.462 -1.109) 12.815 19.825 ( 5.972 20.171 10.496) 23.510 20.094 ( -3.378 -1.878 -1.377) 4.103 20.361 ( 4.567 -20.394 -5.383) 21.581 22.073 ( -4.731 1.031 -5.765) 7.529 22.635 ( -1.795 4.447 -2.859) 5.583 22.709 ( 2.521 4.911 -3.285) 6.424 22.885 ( -7.087 6.662 -20.862) 23.019 23.656 ( -13.302 3.173 -5.149) 14.613 24.095 ( 7.323 -0.791 10.102) 12.502 24.481 ( -5.092 -0.387 2.638) 5.748 24.721 ( -4.190 -8.723 14.239) 17.216 25.018 ( -2.591 2.984 -0.635) 4.002 25.348 ( 14.631 -0.984 -11.560) 18.672 25.642 ( 5.780 0.269 -1.469) 5.969 25.889 ( -4.469 2.725 7.012) 8.751 26.516 ( 3.545 2.615 -7.942) 9.082 26.841 ( 3.724 -1.682 12.499) 13.150 27.760 ( -1.011 2.237 -8.099) 8.463 27.991 ( -0.867 -2.890 5.246) 6.052 34.290 ( -3.036 -1.254 1.555) 3.635 34.510 ( 3.870 -0.164 -1.428) 4.128 34.937 ( -2.149 0.284 -0.396) 2.204======================= Grid point 229 (91/189) =======================q-point: (-0.33 -0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.772 ( 3.828 -1.569 3.275) 5.276 10.222 ( 4.240 -23.199 -29.720) 37.940 10.431 ( 5.287 -8.580 0.223) 10.080 11.400 ( -9.821 13.258 23.526) 28.736 11.728 ( -10.443 18.365 2.544) 21.279 12.543 ( -12.167 -1.280 -16.474) 20.520 16.617 ( -5.558 -4.642 0.030) 7.241 16.704 ( 7.786 -4.542 1.408) 9.123 16.915 ( 4.942 -5.948 0.311) 7.740 17.125 ( 13.797 15.282 -0.551) 20.596 17.629 ( 6.764 -3.054 13.968) 15.818 17.905 ( -7.566 -4.467 -3.317) 9.392 18.211 ( 22.476 -6.505 10.057) 25.468 19.170 ( -15.485 -5.643 -5.190) 17.280 19.768 ( -4.595 -24.171 -5.730) 25.262 20.280 ( 1.649 21.077 17.611) 27.515 20.415 ( 4.318 11.345 1.735) 12.263 21.831 ( -20.055 2.730 -8.919) 22.118 22.559 ( -5.640 6.099 -15.666) 17.733 22.735 ( 0.726 -0.565 -0.043) 0.922 22.854 ( 3.975 3.446 4.208) 6.736 23.470 ( -5.785 7.068 -14.763) 17.360 24.230 ( 2.638 -0.716 6.083) 6.669 24.391 ( -4.549 -1.303 0.139) 4.734 24.681 ( -3.224 -9.978 19.309) 21.972 24.963 ( -4.238 0.891 -0.482) 4.357 25.425 ( 6.339 -5.007 -16.860) 18.696 25.778 ( 8.455 2.972 0.330) 8.968 25.925 ( 1.059 1.883 7.809) 8.102 26.563 ( 4.819 1.647 -6.677) 8.398 26.970 ( 4.784 -4.058 11.312) 12.935 27.715 ( -1.069 3.690 -7.726) 8.628 27.979 ( -1.627 -1.803 4.463) 5.081 34.217 ( -3.563 -2.507 -0.091) 4.357 34.573 ( 5.302 -1.021 -2.117) 5.800 34.895 ( -4.030 1.624 0.873) 4.432======================= Grid point 230 (92/189) =======================q-point: (-0.25 -0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.964 ( 11.909 10.328 1.549) 15.839 9.778 ( -2.930 -30.773 -20.883) 37.305 10.201 ( -11.473 -25.620 -7.916) 29.166 11.444 ( -7.720 3.852 13.917) 16.375 11.768 ( -6.204 18.313 -0.969) 19.360 12.565 ( 8.872 18.363 4.559) 20.897 16.491 ( -5.071 -1.899 0.033) 5.416 16.674 ( -2.488 -3.816 -3.883) 5.986 16.955 ( 4.783 -5.411 2.168) 7.540 17.457 ( 3.090 4.901 -7.547) 9.514 17.616 ( -0.086 -5.942 1.979) 6.263 18.085 ( 20.542 14.628 6.550) 26.055 18.557 ( 15.247 -13.837 3.998) 20.974 18.800 ( -12.090 -6.264 -4.549) 14.356 19.452 ( -4.686 -12.308 3.055) 13.519 20.533 ( 4.507 6.142 8.539) 11.444 20.589 ( -16.766 24.669 4.763) 30.205 21.506 ( -10.215 5.105 -2.274) 11.644 22.389 ( -5.250 -2.096 -12.863) 14.050 22.743 ( -1.194 -0.816 2.577) 2.955 23.051 ( 8.413 7.091 5.135) 12.142 23.398 ( 0.213 7.634 -15.138) 16.956 24.200 ( -5.583 -2.845 -0.510) 6.287 24.365 ( 1.805 -1.403 1.879) 2.960 24.660 ( -2.474 -9.658 18.299) 20.839 24.918 ( -2.684 0.857 2.836) 3.998 25.270 ( -2.517 -6.426 -16.752) 18.118 25.965 ( 8.321 2.464 1.214) 8.763 26.028 ( 3.688 0.563 3.875) 5.379 26.616 ( 4.304 1.505 -5.594) 7.217 27.053 ( 2.540 -6.111 8.358) 10.660 27.712 ( 0.691 5.852 -5.434) 8.016 27.960 ( -1.807 -1.111 3.070) 3.732 34.124 ( -3.293 -3.323 -1.129) 4.813 34.639 ( 6.054 -2.124 -2.773) 6.989 34.846 ( -5.436 2.948 2.164) 6.551======================= Grid point 231 (93/189) =======================q-point: (-0.17 -0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.378 ( 19.685 17.233 -2.935) 26.326 9.290 ( -7.712 -32.268 -4.519) 33.483 9.532 ( -24.240 -25.154 -10.853) 36.579 11.505 ( 0.254 1.197 17.188) 17.232 11.850 ( 1.474 13.315 -11.065) 17.375 13.069 ( 14.918 24.909 9.264) 30.477 16.416 ( -3.180 -0.761 2.913) 4.379 16.536 ( -4.194 -2.841 -8.562) 9.948 16.991 ( 2.871 -4.121 2.647) 5.678 17.293 ( -7.014 -7.419 -2.571) 10.528 17.730 ( 5.949 5.665 -0.157) 8.216 17.985 ( -15.535 -35.491 -7.008) 39.371 18.623 ( -3.993 -7.440 -5.223) 9.929 19.001 ( 25.789 32.782 5.072) 42.018 19.561 ( 11.624 4.046 13.737) 18.444 20.364 ( -24.881 13.733 -4.005) 28.700 20.704 ( 3.703 5.560 4.283) 7.935 21.564 ( 3.291 6.276 3.254) 7.798 22.181 ( -5.534 -7.592 -6.229) 11.272 22.691 ( -3.590 -2.230 -1.913) 4.639 23.297 ( 5.949 6.361 6.813) 11.057 23.417 ( 3.326 5.692 -9.181) 11.302 24.051 ( -5.495 -4.756 -1.636) 7.449 24.388 ( 0.687 -1.051 1.152) 1.704 24.668 ( 0.190 -4.611 12.986) 13.781 24.914 ( -1.399 -0.463 4.073) 4.331 25.052 ( -3.004 -4.197 -14.864) 15.735 26.081 ( 0.918 -0.425 4.434) 4.548 26.102 ( 4.275 -0.631 -1.870) 4.709 26.669 ( 3.447 2.291 -3.509) 5.427 27.046 ( -0.670 -5.973 3.782) 7.101 27.781 ( 2.624 6.426 -1.611) 7.125 27.941 ( -1.089 -0.454 1.167) 1.660 34.030 ( -2.671 -3.503 -1.134) 4.549 34.697 ( 6.186 -3.477 -3.251) 7.805 34.800 ( -5.882 4.247 3.093) 7.887======================= Grid point 232 (94/189) =======================q-point: (-0.08 0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 438Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.700 ( -18.942 -32.808 -0.000) 37.884 8.838 ( 6.875 11.907 0.000) 13.749 9.037 ( -2.614 -4.527 0.000) 5.228 11.635 ( 1.222 2.117 -0.000) 2.444 11.957 ( 5.397 9.348 -0.000) 10.794 13.580 ( 12.269 21.251 0.000) 24.539 16.384 ( -2.436 -4.219 0.000) 4.871 16.419 ( 0.127 0.220 -0.000) 0.254 17.001 ( -0.661 -1.144 0.000) 1.321 17.116 ( -3.853 -6.673 -0.000) 7.706 17.232 ( -20.558 -35.607 -0.000) 41.115 17.933 ( 5.956 10.317 -0.000) 11.913 18.454 ( -3.676 -6.367 -0.000) 7.352 19.757 ( 14.402 24.945 -0.000) 28.804 19.854 ( 5.169 8.953 -0.000) 10.338 20.221 ( 7.264 12.582 -0.000) 14.529 20.821 ( 2.453 4.249 -0.000) 4.907 21.659 ( 1.454 2.518 0.000) 2.908 21.980 ( -5.588 -9.678 -0.000) 11.175 22.542 ( -6.053 -10.484 -0.000) 12.105 23.433 ( 2.134 3.696 -0.000) 4.268 23.450 ( -0.640 -1.109 0.000) 1.280 23.936 ( -1.822 -3.157 -0.000) 3.645 24.382 ( -0.584 -1.012 -0.000) 1.168 24.762 ( 3.753 6.501 0.000) 7.506 24.902 ( -0.414 -0.717 -0.000) 0.828 24.932 ( -0.981 -1.700 -0.000) 1.963 26.085 ( -0.686 -1.189 -0.000) 1.373 26.086 ( -2.553 -4.422 0.000) 5.107 26.731 ( 1.806 3.127 -0.000) 3.611 26.983 ( -2.069 -3.584 -0.000) 4.138 27.886 ( 2.974 5.151 -0.000) 5.947 27.931 ( -0.059 -0.103 -0.000) 0.119 33.956 ( -1.712 -2.966 -0.000) 3.425 34.717 ( -0.562 -0.974 -0.000) 1.124 34.792 ( 0.849 1.471 0.000) 1.698======================= Grid point 241 (95/189) =======================q-point: (-0.42 -0.42 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.716 ( -0.000 -8.414 2.727) 8.845 10.053 ( -0.000 -18.808 -27.049) 32.945 10.331 ( 0.000 0.920 2.703) 2.856 11.686 ( 0.000 14.162 25.309) 29.001 11.873 ( 0.000 15.991 -0.770) 16.009 12.872 ( -0.000 -10.772 -33.753) 35.431 16.335 ( 0.000 -0.347 1.209) 1.258 16.727 ( -0.000 -6.876 2.664) 7.374 16.859 ( -0.000 -2.006 -3.505) 4.039 17.103 ( 0.000 4.877 16.822) 17.514 17.296 ( 0.000 0.051 26.180) 26.180 17.856 ( -0.000 -5.771 0.085) 5.772 18.104 ( -0.000 -5.055 -6.349) 8.116 19.545 ( -0.000 -3.400 -6.731) 7.540 19.751 ( -0.000 -24.100 -2.223) 24.202 20.210 ( 0.000 8.061 5.355) 9.678 20.341 ( 0.000 24.466 11.028) 26.836 22.085 ( -0.000 3.468 -6.275) 7.169 22.675 ( 0.000 1.305 2.209) 2.566 22.693 ( -0.000 4.662 -14.247) 14.991 22.859 ( -0.000 8.136 -18.148) 19.889 23.855 ( -0.000 -2.798 1.898) 3.381 24.049 ( 0.000 4.590 6.398) 7.874 24.569 ( 0.000 1.143 3.713) 3.885 24.760 ( -0.000 -10.811 15.499) 18.897 25.016 ( -0.000 -2.933 -7.991) 8.512 25.103 ( -0.000 -1.747 -10.695) 10.837 25.599 ( 0.000 3.122 -0.049) 3.122 25.998 ( 0.000 0.843 7.584) 7.631 26.437 ( -0.000 -0.279 -8.119) 8.124 26.870 ( 0.000 -3.058 12.495) 12.864 27.739 ( -0.000 2.906 -7.981) 8.494 28.013 ( 0.000 -1.500 5.056) 5.274 34.314 ( -0.000 -2.573 1.352) 2.907 34.446 ( -0.000 -1.023 -3.679) 3.819 34.966 ( 0.000 1.765 0.470) 1.826======================= Grid point 242 (96/189) =======================q-point: (-0.33 -0.42 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.670 ( 4.468 -6.498 -3.893) 8.795 9.643 ( 4.666 -33.560 -30.913) 45.865 10.370 ( -1.229 -0.372 6.763) 6.883 11.867 ( -11.778 13.785 15.898) 24.114 12.079 ( -3.661 16.830 11.743) 20.846 12.424 ( -1.161 -14.336 -31.924) 35.015 16.489 ( 12.861 1.694 0.753) 12.994 16.649 ( -2.971 -3.948 0.081) 4.941 16.826 ( 1.385 -2.486 -2.733) 3.945 17.225 ( -4.258 12.108 14.992) 19.736 17.615 ( 6.325 3.140 14.837) 16.431 17.871 ( 4.604 -1.003 1.441) 4.927 18.005 ( 3.195 -2.960 1.065) 4.484 19.284 ( -12.340 -12.152 -7.126) 18.728 19.546 ( 2.130 -18.551 -2.787) 18.879 20.372 ( 2.676 9.707 7.776) 12.722 20.725 ( 1.696 29.720 13.111) 32.528 22.035 ( -7.273 4.949 -8.019) 11.904 22.547 ( -3.666 4.167 -27.952) 28.498 22.718 ( 1.814 1.004 3.121) 3.747 22.897 ( 1.205 5.091 4.791) 7.094 23.644 ( -15.613 1.044 -3.978) 16.146 24.204 ( 4.831 2.348 3.694) 6.520 24.492 ( -8.327 -0.109 -1.413) 8.446 24.744 ( -1.850 -11.990 19.241) 22.747 24.994 ( 0.701 -2.705 -1.593) 3.217 25.074 ( 12.191 -5.545 -17.516) 22.049 25.688 ( 5.186 3.608 0.539) 6.341 26.011 ( -3.167 -0.287 6.996) 7.685 26.423 ( 5.509 -2.252 -7.122) 9.281 26.939 ( 2.694 -4.723 11.815) 13.006 27.718 ( -0.519 4.448 -7.172) 8.456 28.023 ( -1.247 -0.665 4.313) 4.539 34.248 ( -3.645 -3.432 -0.518) 5.034 34.452 ( 4.560 -2.084 -3.840) 6.316 34.978 ( -2.066 3.028 1.359) 3.910======================= Grid point 243 (97/189) =======================q-point: (-0.25 -0.42 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.711 ( 15.189 -8.194 -12.745) 21.454 9.162 ( 8.171 -42.160 -30.640) 52.755 10.277 ( -15.477 -5.195 10.601) 19.466 11.687 ( -5.959 -10.151 -16.183) 20.011 12.014 ( -11.173 10.214 10.715) 18.546 12.638 ( 10.436 24.728 11.353) 29.143 16.523 ( -2.537 -2.778 -4.285) 5.702 16.672 ( -0.137 1.836 -2.600) 3.186 16.869 ( 7.486 -6.172 8.987) 13.225 17.385 ( 0.782 8.538 -2.249) 8.864 17.612 ( -3.196 -2.170 0.686) 3.924 17.928 ( 4.741 0.521 -0.979) 4.869 18.350 ( 15.556 9.665 12.381) 22.106 18.906 ( -12.282 -8.838 -5.641) 16.148 19.426 ( 0.546 -7.846 6.721) 10.345 20.566 ( 2.581 9.794 6.404) 11.983 21.101 ( -1.493 25.813 10.787) 28.016 21.781 ( -19.895 4.835 -8.985) 22.359 22.328 ( -3.675 -1.769 -20.827) 21.222 22.782 ( -0.196 0.403 4.412) 4.435 23.057 ( 5.155 7.370 10.130) 13.546 23.410 ( -6.625 3.256 -10.757) 13.046 24.268 ( -3.147 -0.261 -0.045) 3.158 24.349 ( -2.450 -1.288 -1.586) 3.190 24.716 ( -2.018 -10.979 16.992) 20.331 24.948 ( -0.018 -5.333 0.162) 5.336 25.079 ( 4.501 -3.407 -16.326) 17.275 25.826 ( 8.614 -0.810 0.528) 8.668 26.033 ( 0.721 1.211 5.755) 5.925 26.462 ( 7.170 -3.429 -6.584) 10.320 27.010 ( 2.771 -5.954 9.837) 11.828 27.725 ( 0.357 6.166 -5.160) 8.048 28.014 ( -2.346 0.026 3.131) 3.912 34.139 ( -3.690 -3.826 -1.677) 5.574 34.489 ( 5.677 -3.142 -3.929) 7.586 34.975 ( -3.787 4.027 2.211) 5.954======================= Grid point 244 (98/189) =======================q-point: (-0.17 -0.42 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.812 ( 25.468 -20.744 -24.330) 40.876 8.736 ( 14.298 -42.332 -26.288) 51.841 9.944 ( -27.499 2.621 18.103) 33.028 11.532 ( 11.356 -10.162 -14.203) 20.832 12.010 ( -14.894 14.012 15.109) 25.426 13.172 ( 10.863 28.051 10.712) 31.932 16.437 ( -1.237 -1.427 -4.703) 5.068 16.590 ( -6.785 1.246 -3.628) 7.794 16.991 ( 3.342 -6.733 15.905) 17.591 17.261 ( -4.482 -6.689 -11.316) 13.888 17.682 ( -0.721 2.058 3.923) 4.488 17.837 ( -3.982 -12.663 -4.281) 13.948 18.577 ( -2.314 -4.072 -9.392) 10.495 18.883 ( 15.096 17.410 0.678) 23.053 19.627 ( 9.139 13.289 22.696) 27.843 20.713 ( -1.291 10.442 0.827) 10.554 21.119 ( -30.604 19.127 2.516) 36.177 21.579 ( 0.871 3.915 -1.496) 4.281 22.120 ( -2.880 -6.981 -10.767) 13.151 22.731 ( -5.427 -2.809 -1.473) 6.286 23.309 ( 5.000 5.008 6.265) 9.452 23.365 ( 3.799 6.195 -2.931) 7.836 24.111 ( -7.661 -3.546 -2.291) 8.747 24.363 ( 1.698 -0.437 0.242) 1.770 24.701 ( -0.470 -6.068 11.298) 12.833 24.874 ( 1.448 -6.507 -8.654) 10.923 24.993 ( -1.653 -1.242 -3.768) 4.298 25.953 ( 8.648 -4.993 -0.781) 10.016 26.107 ( 0.800 1.559 5.558) 5.828 26.508 ( 8.317 -4.357 -7.523) 12.032 27.039 ( 0.534 -5.005 7.085) 8.691 27.787 ( 2.178 6.627 -2.539) 7.424 27.989 ( -2.777 0.644 1.790) 3.366 34.033 ( -2.883 -3.729 -1.475) 4.939 34.529 ( 6.174 -3.942 -4.292) 8.490 34.959 ( -5.022 4.647 2.930) 7.443======================= Grid point 254 (99/189) =======================q-point: (-0.33 -0.33 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.439 ( -0.000 -17.397 -15.653) 23.403 9.002 ( -0.000 -44.908 -33.208) 55.852 10.539 ( 0.000 12.876 16.872) 21.224 11.833 ( -0.000 -40.469 -44.985) 60.509 12.321 ( 0.000 20.492 12.181) 23.839 12.367 ( 0.000 19.490 25.906) 32.419 16.424 ( 0.000 7.838 -1.679) 8.016 16.636 ( -0.000 -3.933 0.795) 4.012 16.780 ( -0.000 2.470 -7.461) 7.859 17.521 ( 0.000 8.059 13.424) 15.658 17.639 ( -0.000 -0.800 0.987) 1.271 17.943 ( 0.000 15.360 18.204) 23.818 17.964 ( 0.000 1.875 2.699) 3.286 19.219 ( -0.000 -22.253 3.400) 22.511 19.346 ( -0.000 -4.805 -9.971) 11.068 20.522 ( 0.000 12.146 9.480) 15.408 21.052 ( 0.000 23.988 9.754) 25.895 22.116 ( 0.000 6.742 -3.913) 7.795 22.418 ( -0.000 6.550 -33.361) 33.998 22.733 ( 0.000 -0.313 5.458) 5.467 22.977 ( 0.000 6.502 7.297) 9.773 23.797 ( -0.000 -3.948 -2.023) 4.436 24.199 ( 0.000 5.984 0.195) 5.987 24.632 ( 0.000 2.437 -0.691) 2.533 24.682 ( -0.000 -6.515 -21.436) 22.404 24.772 ( -0.000 -13.641 22.217) 26.071 24.931 ( -0.000 -8.093 -2.532) 8.480 25.683 ( 0.000 3.011 -0.609) 3.072 26.092 ( 0.000 -0.711 7.637) 7.670 26.265 ( -0.000 -6.087 -8.582) 10.521 26.943 ( 0.000 -5.672 11.449) 12.777 27.727 ( 0.000 5.487 -5.941) 8.087 28.059 ( 0.000 0.154 3.666) 3.670 34.251 ( -0.000 -4.715 0.332) 4.726 34.344 ( -0.000 -2.325 -6.359) 6.771 35.042 ( 0.000 4.056 1.820) 4.445======================= Grid point 255 (100/189) =======================q-point: (-0.25 -0.33 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.161 ( 10.748 -28.406 -25.363) 39.569 8.339 ( 6.639 -53.108 -34.515) 63.685 10.684 ( -15.841 3.171 12.053) 20.156 11.169 ( 9.995 -33.119 -30.958) 46.423 12.494 ( -11.439 18.626 21.251) 30.485 12.855 ( 7.968 27.055 19.713) 34.410 16.460 ( 0.856 -3.321 -6.959) 7.758 16.682 ( 2.685 7.942 0.742) 8.416 16.774 ( 2.074 2.636 -3.717) 5.007 17.487 ( -7.609 -0.605 -6.506) 10.030 17.663 ( 2.369 3.079 -0.999) 4.011 18.036 ( -7.003 9.964 16.566) 20.562 18.323 ( 8.827 12.917 7.152) 17.202 18.981 ( -9.503 -7.238 0.400) 11.953 19.348 ( 8.321 -3.133 8.722) 12.455 20.710 ( 0.060 12.299 8.958) 15.216 21.326 ( 3.170 15.544 5.339) 16.738 22.068 ( -8.495 0.458 -1.983) 8.735 22.253 ( -6.187 13.559 -30.741) 34.163 22.801 ( 2.525 0.633 5.862) 6.414 23.135 ( 3.024 7.771 11.460) 14.173 23.552 ( -14.767 -3.322 -8.085) 17.160 24.280 ( 1.966 3.066 -0.618) 3.695 24.399 ( -6.926 -2.785 -8.874) 11.596 24.721 ( 3.128 -8.035 2.506) 8.980 24.762 ( 1.994 -9.299 -0.062) 9.510 24.923 ( 6.931 -5.714 4.491) 10.043 25.699 ( 2.675 -3.571 -1.824) 4.820 26.082 ( -1.213 -0.213 1.967) 2.321 26.244 ( 6.991 -6.172 -3.506) 9.963 26.973 ( 1.925 -6.518 9.949) 12.049 27.753 ( 0.161 6.421 -3.953) 7.542 28.073 ( -1.535 0.911 2.592) 3.147 34.152 ( -3.898 -4.446 -1.758) 6.169 34.333 ( 5.031 -3.589 -5.126) 8.029 35.082 ( -1.937 4.780 2.255) 5.629======================= Grid point 256 (101/189) =======================q-point: (-0.17 -0.33 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.913 ( 21.331 -40.215 -30.567) 54.832 7.772 ( 17.120 -55.027 -32.686) 66.253 10.263 ( 3.969 -32.358 -17.406) 36.956 11.169 ( -3.319 10.062 7.867) 13.196 12.599 ( -15.935 18.467 25.497) 35.285 13.387 ( 7.274 29.511 13.369) 33.205 16.372 ( 0.948 -5.602 -6.019) 8.277 16.694 ( -4.328 6.731 -7.369) 10.878 16.918 ( 5.972 0.645 7.723) 9.784 17.257 ( -9.360 -2.835 -10.482) 14.336 17.753 ( 4.220 5.190 -3.103) 7.374 17.985 ( -17.387 -0.211 14.971) 22.946 18.474 ( 1.651 -2.217 -11.873) 12.190 18.894 ( 1.183 13.019 1.551) 13.164 19.743 ( 13.914 15.775 26.825) 34.089 20.868 ( -1.640 11.593 6.154) 13.228 21.524 ( 3.858 7.852 -0.445) 8.760 21.819 ( -20.442 1.981 -1.401) 20.586 22.059 ( -9.012 9.124 -18.829) 22.782 22.797 ( -6.489 -3.891 -0.968) 7.628 23.284 ( -0.197 -0.478 -4.243) 4.275 23.410 ( 4.050 9.245 10.399) 14.492 24.198 ( -7.865 -2.653 -3.871) 9.159 24.328 ( 1.912 0.439 -1.579) 2.518 24.678 ( 1.971 -5.837 -8.150) 10.216 24.722 ( 1.957 -7.723 7.772) 11.130 24.969 ( 1.050 -4.390 1.192) 4.669 25.717 ( 8.855 -9.278 -1.240) 12.885 26.117 ( 4.905 -1.062 -1.701) 5.299 26.272 ( 4.579 -5.465 -1.458) 7.278 27.007 ( 2.462 -6.024 7.536) 9.957 27.810 ( 1.094 6.680 -1.895) 7.029 28.060 ( -2.823 1.467 1.370) 3.464 34.036 ( -3.126 -3.985 -1.773) 5.367 34.354 ( 5.769 -4.319 -4.878) 8.702 35.100 ( -3.603 5.134 2.617) 6.796======================= Grid point 267 (102/189) =======================q-point: (-0.25 -0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.517 ( -0.000 -41.621 -32.915) 53.063 7.466 ( -0.000 -62.011 -36.751) 72.083 10.076 ( -0.000 -74.411 -45.808) 87.381 11.338 ( 0.000 33.561 29.773) 44.864 12.964 ( 0.000 22.734 18.997) 29.627 13.175 ( 0.000 27.098 24.824) 36.750 16.347 ( -0.000 -7.820 -8.892) 11.842 16.766 ( 0.000 7.441 -10.104) 12.548 16.787 ( 0.000 14.536 3.745) 15.011 17.567 ( -0.000 4.320 -11.117) 11.927 17.574 ( -0.000 0.413 -3.429) 3.454 18.330 ( 0.000 6.160 12.144) 13.617 18.366 ( 0.000 5.367 -3.970) 6.675 19.220 ( 0.000 3.120 7.072) 7.730 19.222 ( 0.000 8.647 26.613) 27.983 20.899 ( 0.000 12.623 9.264) 15.657 21.424 ( 0.000 7.064 1.469) 7.215 21.992 ( -0.000 -6.133 -15.386) 16.563 22.426 ( 0.000 26.888 -15.993) 31.285 22.811 ( 0.000 -0.901 7.219) 7.275 23.276 ( 0.000 9.733 13.148) 16.359 23.576 ( -0.000 -8.973 -14.328) 16.906 24.284 ( 0.000 4.499 -3.108) 5.468 24.321 ( -0.000 -3.084 -14.235) 14.565 24.631 ( -0.000 0.284 -3.018) 3.032 24.723 ( -0.000 -10.187 -1.230) 10.261 24.802 ( -0.000 -14.511 23.117) 27.294 25.618 ( -0.000 -6.709 -4.226) 7.929 25.965 ( -0.000 -11.538 -10.307) 15.471 26.208 ( 0.000 2.436 7.021) 7.431 26.950 ( -0.000 -7.552 9.049) 11.786 27.795 ( 0.000 6.539 -2.093) 6.866 28.114 ( 0.000 1.717 1.610) 2.354 34.149 ( -0.000 -5.636 0.129) 5.637 34.196 ( -0.000 -2.988 -7.529) 8.101 35.164 ( 0.000 5.276 2.300) 5.756======================= Grid point 268 (103/189) =======================q-point: (-0.17 -0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.936 ( 13.004 -51.672 -35.194) 63.857 6.683 ( 12.429 -66.106 -35.695) 76.148 9.141 ( 19.368 -80.712 -41.395) 92.753 11.802 ( -11.538 37.036 29.909) 48.983 13.209 ( -11.409 22.274 24.005) 34.678 13.670 ( 5.009 29.142 16.730) 33.974 16.212 ( 2.566 -10.731 -7.433) 13.304 16.759 ( -1.664 7.681 -9.908) 12.646 16.980 ( 0.819 14.440 4.366) 15.108 17.373 ( -11.576 2.820 -10.517) 15.892 17.690 ( 6.505 5.472 -4.591) 9.661 18.270 ( -8.067 -4.436 0.788) 9.240 18.348 ( -0.029 -3.129 -12.561) 12.945 19.209 ( -12.427 18.764 20.621) 30.524 19.824 ( 17.934 19.040 29.003) 39.055 21.064 ( -1.788 11.793 7.502) 14.090 21.500 ( 3.158 1.575 0.226) 3.536 21.811 ( -2.075 -5.864 -14.905) 16.151 22.465 ( -14.480 24.084 -9.246) 29.584 22.833 ( -3.117 -4.015 -3.221) 6.017 23.273 ( -5.865 -4.955 -9.119) 11.921 23.518 ( 3.621 10.404 12.121) 16.379 24.229 ( -1.234 -0.561 -8.068) 8.181 24.302 ( -0.229 1.030 -2.260) 2.494 24.544 ( -0.752 -4.835 -5.218) 7.154 24.673 ( 2.215 -7.896 6.348) 10.371 24.877 ( 5.454 -10.000 10.839) 15.723 25.495 ( 1.848 -12.088 -4.260) 12.949 25.847 ( 7.949 -12.395 -11.194) 18.497 26.281 ( -0.003 2.554 5.904) 6.433 26.945 ( 2.119 -7.890 7.090) 10.817 27.855 ( 0.380 6.449 -0.322) 6.468 28.125 ( -1.787 2.208 0.440) 2.874 34.038 ( -3.397 -4.198 -2.102) 5.795 34.186 ( 5.010 -4.350 -4.760) 8.166 35.216 ( -1.894 5.427 2.302) 6.192======================= Grid point 280 (104/189) =======================q-point: (-0.17 -0.17 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.024 ( -0.000 -60.045 -37.007) 70.533 5.625 ( -0.000 -73.728 -37.043) 82.510 7.760 ( -0.000 -101.329 -38.192) 108.287 12.502 ( 0.000 40.534 30.260) 50.583 13.683 ( 0.000 23.963 17.858) 29.886 14.036 ( 0.000 29.003 18.345) 34.318 16.009 ( -0.000 -13.855 -6.785) 15.427 16.779 ( 0.000 5.966 -8.016) 9.992 17.178 ( 0.000 18.476 3.920) 18.887 17.477 ( -0.000 4.127 -19.105) 19.545 17.619 ( 0.000 7.446 -1.012) 7.515 18.239 ( -0.000 -3.882 -8.303) 9.165 18.240 ( -0.000 -5.756 -10.820) 12.255 19.812 ( 0.000 17.807 37.386) 41.410 19.964 ( 0.000 26.306 20.943) 33.624 21.242 ( 0.000 10.930 6.651) 12.795 21.463 ( -0.000 -5.074 2.813) 5.802 21.692 ( -0.000 -0.214 -16.558) 16.559 22.751 ( -0.000 -9.068 -14.053) 16.725 22.775 ( 0.000 23.476 -8.874) 25.098 23.217 ( -0.000 -3.712 -5.011) 6.236 23.678 ( 0.000 12.896 11.632) 17.367 24.190 ( -0.000 1.233 -5.193) 5.337 24.295 ( -0.000 1.707 -4.200) 4.534 24.504 ( -0.000 -10.871 -0.182) 10.872 24.582 ( -0.000 -1.122 -2.171) 2.444 24.800 ( -0.000 -15.451 21.074) 26.131 25.332 ( -0.000 -14.040 -6.706) 15.559 25.543 ( -0.000 -15.124 -13.225) 20.090 26.347 ( 0.000 3.089 4.654) 5.586 26.883 ( -0.000 -9.371 5.850) 11.047 27.918 ( 0.000 6.152 1.272) 6.282 28.164 ( 0.000 2.571 -0.673) 2.658 34.040 ( -0.000 -2.771 -6.717) 7.266 34.042 ( -0.000 -5.440 0.616) 5.475 35.300 ( 0.000 5.390 1.949) 5.732======================= Grid point 321 (105/189) =======================q-point: ( 0.17 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.641 ( 0.000 -0.000 86.996) 86.996 3.641 ( 0.000 -0.000 86.996) 86.996 6.065 ( 0.000 -0.000 145.072) 145.072 13.139 ( -0.000 0.000 -36.022) 36.022 13.744 ( -0.000 0.000 -53.859) 53.859 13.744 ( -0.000 0.000 -53.859) 53.859 16.377 ( 0.000 -0.000 38.986) 38.986 17.625 ( 0.000 -0.000 13.733) 13.733 17.625 ( 0.000 -0.000 13.733) 13.733 17.970 ( 0.000 -0.000 3.922) 3.922 17.970 ( 0.000 -0.000 3.922) 3.922 18.396 ( 0.000 -0.000 12.065) 12.065 18.396 ( 0.000 -0.000 12.065) 12.065 20.013 ( -0.000 0.000 -32.206) 32.206 20.013 ( -0.000 0.000 -32.206) 32.206 20.970 ( -0.000 0.000 -1.602) 1.602 21.367 ( -0.000 0.000 -14.377) 14.377 22.576 ( 0.000 -0.000 7.545) 7.545 22.576 ( 0.000 -0.000 7.545) 7.545 23.094 ( -0.000 0.000 -38.198) 38.198 23.318 ( 0.000 -0.000 8.159) 8.159 23.318 ( 0.000 -0.000 8.159) 8.159 24.024 ( 0.000 -0.000 0.599) 0.599 24.360 ( 0.000 -0.000 4.952) 4.952 24.360 ( 0.000 -0.000 4.952) 4.952 24.588 ( 0.000 -0.000 1.064) 1.064 24.831 ( 0.000 -0.000 12.146) 12.146 24.831 ( 0.000 -0.000 12.146) 12.146 25.436 ( 0.000 -0.000 21.066) 21.066 26.256 ( -0.000 0.000 -10.830) 10.830 26.256 ( -0.000 0.000 -10.830) 10.830 27.980 ( -0.000 0.000 -7.553) 7.553 28.419 ( 0.000 -0.000 4.258) 4.258 34.008 ( 0.000 -0.000 6.045) 6.045 34.008 ( 0.000 -0.000 6.045) 6.045 35.404 ( -0.000 0.000 -4.798) 4.798======================= Grid point 322 (106/189) =======================q-point: ( 0.25 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.329 ( 17.347 10.016 80.016) 82.485 4.772 ( 37.585 21.700 76.618) 88.056 7.370 ( 30.346 17.520 130.064) 134.701 12.708 ( -16.128 -9.312 -35.276) 39.891 13.166 ( -11.706 -6.759 -52.586) 54.295 13.567 ( 8.089 4.670 -54.711) 55.503 16.593 ( -3.130 -1.807 37.471) 37.645 17.612 ( -5.437 -3.139 14.660) 15.948 17.621 ( -4.302 -2.484 -7.790) 9.239 17.953 ( -4.938 -2.851 3.739) 6.818 17.960 ( -7.778 -4.491 10.522) 13.834 18.438 ( -2.994 -1.728 11.081) 11.607 18.483 ( 0.198 0.114 17.870) 17.872 19.614 ( -10.232 -5.907 -24.136) 26.873 19.927 ( 5.137 2.966 -32.619) 33.154 21.038 ( 6.404 3.697 -1.332) 7.514 21.234 ( -2.635 -1.521 -16.066) 16.351 22.427 ( -9.452 -5.457 -11.728) 16.021 22.571 ( -1.257 -0.726 5.534) 5.722 22.964 ( 3.699 2.135 -28.222) 28.544 23.368 ( -1.980 -1.143 11.868) 12.086 23.424 ( 0.540 0.312 11.602) 11.619 24.094 ( 5.005 2.890 0.355) 5.790 24.374 ( -0.691 -0.399 5.067) 5.129 24.379 ( -1.784 -1.030 3.174) 3.784 24.515 ( -4.489 -2.592 2.174) 5.621 24.950 ( 5.567 3.214 11.905) 13.529 24.975 ( 3.109 1.795 10.119) 10.737 25.638 ( 5.449 3.146 20.837) 21.766 26.160 ( -1.045 -0.604 -12.267) 12.326 26.289 ( 8.136 4.697 -11.191) 14.611 27.923 ( -0.272 -0.157 -7.555) 7.562 28.409 ( -3.099 -1.789 4.188) 5.509 34.003 ( -1.808 -1.044 5.996) 6.349 34.119 ( 3.798 2.193 6.704) 8.011 35.349 ( -1.916 -1.106 -5.079) 5.540======================= Grid point 323 (107/189) =======================q-point: ( 0.33 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.398 ( 31.238 18.035 68.470) 77.390 6.204 ( 44.378 25.622 66.090) 83.629 9.010 ( 42.426 24.494 101.042) 112.292 11.967 ( -28.253 -16.312 -33.762) 46.949 12.543 ( -12.886 -7.440 -47.465) 49.743 13.367 ( 6.533 3.772 -54.382) 54.903 16.748 ( -4.109 -2.373 34.305) 34.631 17.406 ( -6.996 -4.039 -13.689) 15.895 17.554 ( -8.059 -4.653 11.505) 14.797 17.728 ( -16.966 -9.795 9.056) 21.583 17.790 ( -12.068 -6.968 7.222) 15.695 18.421 ( -3.699 -2.136 8.485) 9.500 18.618 ( 0.161 0.093 17.530) 17.531 19.274 ( -7.761 -4.481 -14.358) 16.926 19.842 ( 6.982 4.031 -33.255) 34.219 21.043 ( -4.011 -2.316 -17.214) 17.826 21.210 ( 8.324 4.806 -0.290) 9.616 22.120 ( -7.990 -4.613 -18.742) 20.889 22.596 ( 0.258 0.149 5.510) 5.518 22.825 ( -4.605 -2.659 -12.458) 13.545 23.336 ( -11.051 -6.381 -1.602) 12.861 23.402 ( -2.646 -1.528 14.988) 15.296 24.195 ( 1.803 1.041 2.189) 3.021 24.318 ( -1.707 -0.986 -2.850) 3.465 24.428 ( 3.624 2.092 3.454) 5.426 24.522 ( 1.565 0.904 6.154) 6.414 25.101 ( 2.365 1.366 8.852) 9.264 25.214 ( 10.254 5.920 10.291) 15.687 25.956 ( 10.492 6.057 18.863) 22.418 26.051 ( -1.121 -0.647 -12.652) 12.718 26.435 ( 10.268 5.928 -10.834) 16.061 27.875 ( 0.387 0.223 -7.274) 7.288 28.343 ( -4.819 -2.782 3.952) 6.825 34.005 ( -1.534 -0.886 6.083) 6.336 34.262 ( 4.804 2.774 6.315) 8.406 35.251 ( -3.654 -2.110 -5.051) 6.582======================= Grid point 324 (108/189) =======================q-point: ( 0.42 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.596 ( 35.823 20.683 58.107) 71.327 7.616 ( 42.475 24.523 57.873) 75.860 10.450 ( 30.819 17.794 57.391) 67.529 11.005 ( -36.136 -20.863 -31.418) 52.232 12.026 ( -4.947 -2.856 -31.534) 32.047 13.160 ( 6.930 4.001 -52.469) 53.076 16.849 ( -6.097 -3.520 27.460) 28.348 17.192 ( -4.533 -2.617 -5.043) 7.268 17.347 ( -14.694 -8.484 6.049) 18.013 17.357 ( -19.898 -11.488 8.255) 24.414 17.573 ( -11.699 -6.754 12.681) 18.528 18.404 ( -2.046 -1.181 6.556) 6.969 18.704 ( -2.423 -1.399 14.852) 15.113 19.070 ( -2.764 -1.596 -10.787) 11.249 19.802 ( 8.905 5.141 -33.823) 35.352 20.840 ( -3.282 -1.895 -17.343) 17.752 21.381 ( 5.380 3.106 2.202) 6.591 21.820 ( -6.407 -3.699 -21.829) 23.049 22.497 ( -23.385 -13.501 4.239) 27.333 22.655 ( 1.316 0.760 6.653) 6.824 23.085 ( -1.553 -0.896 -15.946) 16.047 23.449 ( -2.678 -1.546 16.534) 16.821 24.204 ( -2.558 -1.477 5.457) 6.205 24.282 ( 0.322 0.186 -4.680) 4.694 24.573 ( 6.906 3.987 1.230) 8.069 24.610 ( 2.756 1.591 3.299) 4.584 25.199 ( 1.232 0.711 8.307) 8.428 25.510 ( 9.773 5.642 6.159) 12.856 25.955 ( 0.080 0.046 -10.175) 10.176 26.338 ( 12.363 7.138 15.334) 20.951 26.585 ( 8.647 4.993 -9.999) 14.131 27.840 ( 0.673 0.389 -7.400) 7.441 28.252 ( -5.209 -3.007 3.710) 7.067 34.014 ( -1.357 -0.783 6.272) 6.465 34.416 ( 5.251 3.031 5.095) 7.919 35.119 ( -5.032 -2.905 -4.711) 7.480======================= Grid point 325 (109/189) =======================q-point: ( 0.50 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.753 ( 32.900 18.995 49.026) 62.023 8.875 ( 34.754 20.065 52.568) 66.135 9.963 ( -36.023 -20.798 -27.941) 50.109 10.760 ( -10.992 -6.346 -16.139) 20.532 12.219 ( 22.041 12.725 10.586) 27.565 13.001 ( 9.038 5.218 -48.880) 49.982 16.747 ( -13.752 -7.940 7.986) 17.775 16.964 ( -18.413 -10.631 7.258) 22.466 17.131 ( -9.272 -5.353 19.022) 21.828 17.194 ( 1.914 1.105 15.486) 15.642 17.395 ( -10.997 -6.349 9.693) 15.975 18.413 ( -0.965 -0.557 6.033) 6.135 18.658 ( -8.793 -5.076 7.279) 12.492 19.053 ( 7.584 4.379 -6.993) 11.207 19.785 ( 9.504 5.487 -34.901) 36.586 20.683 ( -0.398 -0.230 -15.976) 15.982 21.394 ( -12.217 -7.054 7.186) 15.832 21.550 ( -3.953 -2.282 -21.374) 21.856 21.972 ( -16.555 -9.558 1.247) 19.157 22.738 ( 1.493 0.862 7.978) 8.163 23.054 ( 5.738 3.313 -12.938) 14.536 23.487 ( -3.882 -2.241 16.381) 16.983 24.174 ( -3.520 -2.033 7.092) 8.175 24.262 ( 0.890 0.514 -5.746) 5.837 24.677 ( 2.085 1.204 -0.234) 2.419 24.732 ( 6.105 3.525 0.950) 7.113 25.267 ( 0.200 0.115 7.062) 7.066 25.674 ( 3.549 2.049 -5.007) 6.470 25.971 ( 4.734 2.733 0.416) 5.483 26.646 ( 6.691 3.863 -7.138) 10.519 26.730 ( 8.923 5.151 9.758) 14.191 27.798 ( 0.022 0.012 -8.121) 8.121 28.168 ( -3.956 -2.284 3.344) 5.661 34.026 ( -1.336 -0.771 6.504) 6.685 34.563 ( 5.046 2.913 2.930) 6.522 34.966 ( -5.620 -3.245 -3.661) 7.451======================= Grid point 326 (110/189) =======================q-point: ( 0.58 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.455 ( -10.991 -6.346 17.158) 21.342 9.308 ( 7.310 4.220 0.488) 8.454 9.673 ( -11.593 -6.693 47.513) 49.363 10.406 ( 14.165 8.178 -29.648) 33.861 12.664 ( 9.560 5.520 2.535) 11.327 12.928 ( 11.866 6.851 -44.204) 46.279 16.474 ( -9.974 -5.758 0.498) 11.528 16.643 ( -13.495 -7.791 7.360) 17.233 17.097 ( -7.247 -4.184 21.310) 22.894 17.198 ( -10.411 -6.011 5.184) 13.092 17.426 ( 3.666 2.116 27.108) 27.436 18.428 ( -1.539 -0.888 6.041) 6.297 18.436 ( -11.468 -6.621 -1.594) 13.338 19.325 ( 18.180 10.496 0.258) 20.995 19.765 ( 9.496 5.483 -36.344) 37.962 20.623 ( 3.805 2.197 -13.101) 13.817 20.887 ( -28.999 -16.742 8.377) 34.517 21.388 ( 1.694 0.978 -19.185) 19.285 21.883 ( 2.100 1.212 2.470) 3.461 22.820 ( 0.436 0.252 9.174) 9.188 23.130 ( 6.828 3.942 -9.107) 12.046 23.482 ( -5.739 -3.313 15.001) 16.399 24.143 ( -3.330 -1.922 7.266) 8.220 24.245 ( 1.186 0.685 -6.203) 6.352 24.699 ( 0.518 0.299 -2.335) 2.410 24.851 ( 3.336 1.926 1.397) 4.097 25.305 ( -0.311 -0.180 5.093) 5.105 25.674 ( 1.647 0.951 -7.664) 7.896 26.107 ( 4.416 2.549 3.914) 6.428 26.638 ( -0.746 -0.431 -10.194) 10.230 27.006 ( 7.439 4.295 10.690) 13.713 27.732 ( -0.610 -0.352 -9.172) 9.199 28.121 ( -1.954 -1.128 2.596) 3.439 34.038 ( -1.478 -0.853 6.723) 6.936 34.645 ( 0.056 0.032 -2.841) 2.842 34.856 ( -1.101 -0.636 0.998) 1.616======================= Grid point 327 (111/189) =======================q-point: (-0.33 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.765 ( -36.622 -21.144 -4.266) 42.502 9.041 ( -44.695 -25.805 12.067) 53.001 10.029 ( 33.360 19.261 19.871) 43.344 10.920 ( 18.989 10.963 -0.180) 21.927 12.708 ( -2.718 -1.569 0.791) 3.237 12.956 ( 14.921 8.614 -38.547) 42.222 16.354 ( -0.198 -0.114 -0.945) 0.973 16.465 ( -6.080 -3.510 7.123) 10.001 16.961 ( -10.405 -6.007 1.063) 12.062 17.105 ( -5.114 -2.953 18.633) 19.547 17.651 ( 2.125 1.227 19.068) 19.225 18.155 ( -10.501 -6.063 -3.046) 12.502 18.416 ( -3.276 -1.892 6.482) 7.505 19.736 ( 9.778 5.645 -37.883) 39.530 19.764 ( 12.768 7.371 -4.601) 15.444 20.471 ( -7.102 -4.100 19.969) 21.588 20.683 ( 7.893 4.557 -9.484) 13.153 21.380 ( 7.287 4.207 -14.488) 16.754 21.967 ( 2.420 1.397 4.027) 4.902 22.871 ( -1.818 -1.049 10.523) 10.731 23.232 ( 6.912 3.990 -7.147) 10.713 23.430 ( -6.742 -3.893 12.795) 14.978 24.120 ( -2.613 -1.508 6.422) 7.095 24.234 ( 1.339 0.773 -5.728) 5.933 24.673 ( -1.074 -0.620 -2.885) 3.140 24.893 ( -0.692 -0.400 1.695) 1.874 25.319 ( -0.921 -0.532 2.753) 2.952 25.668 ( 1.141 0.659 -4.444) 4.635 26.203 ( 2.241 1.294 2.507) 3.603 26.484 ( -7.261 -4.192 -8.683) 12.070 27.188 ( 2.832 1.635 7.098) 7.815 27.666 ( 0.962 0.555 -9.415) 9.481 28.108 ( -0.656 -0.379 1.764) 1.920 34.047 ( -1.730 -0.999 6.882) 7.166 34.527 ( -5.953 -3.437 -5.240) 8.643 34.933 ( 4.767 2.752 2.479) 6.037======================= Grid point 328 (112/189) =======================q-point: (-0.25 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.887 ( -40.746 -23.524 5.274) 47.344 8.001 ( -53.326 -30.788 14.413) 63.239 10.760 ( -36.322 -20.970 0.216) 41.941 10.924 ( 36.706 21.192 7.948) 43.123 12.873 ( 19.120 11.039 4.027) 22.442 13.096 ( 17.672 10.203 -31.084) 37.184 16.415 ( 3.493 2.017 -2.375) 4.681 16.463 ( 1.806 1.043 6.140) 6.485 16.744 ( -5.822 -3.361 -1.883) 6.981 17.151 ( -1.345 -0.776 17.622) 17.691 17.707 ( -3.765 -2.174 -2.716) 5.127 18.049 ( 1.230 0.710 11.042) 11.133 18.367 ( -4.975 -2.872 7.643) 9.561 19.695 ( -3.562 -2.057 -12.408) 13.072 19.715 ( 11.129 6.425 -38.803) 40.875 20.842 ( 10.408 6.009 -6.670) 13.745 20.910 ( 19.878 11.476 25.471) 34.287 21.510 ( 9.748 5.628 -6.218) 12.859 22.038 ( 2.693 1.555 2.530) 4.009 22.874 ( -4.575 -2.641 12.163) 13.261 23.354 ( -6.476 -3.739 9.889) 12.397 23.355 ( 8.014 4.627 -6.746) 11.452 24.115 ( -1.292 -0.746 5.666) 5.859 24.232 ( 1.344 0.776 -3.855) 4.156 24.623 ( -1.582 -0.913 -1.906) 2.640 24.840 ( -4.753 -2.744 1.422) 5.670 25.288 ( -2.768 -1.598 -0.849) 3.307 25.643 ( -2.527 -1.459 -0.151) 2.922 26.198 ( -13.164 -7.600 -6.174) 16.406 26.256 ( 2.021 1.167 0.064) 2.335 27.209 ( -3.235 -1.868 0.796) 3.819 27.682 ( 4.927 2.845 -5.597) 7.981 28.111 ( 0.082 0.047 1.029) 1.033 34.051 ( -2.015 -1.163 6.944) 7.323 34.348 ( -6.602 -3.812 -4.321) 8.763 35.065 ( 5.543 3.200 1.022) 6.482======================= Grid point 329 (113/189) =======================q-point: (-0.17 0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.971 ( -46.996 -27.133 19.652) 57.715 6.835 ( -59.879 -34.571 24.452) 73.339 9.481 ( -73.897 -42.664 12.148) 86.189 11.785 ( 38.861 22.436 -10.688) 46.128 13.345 ( 19.606 11.320 -21.869) 31.476 13.470 ( 29.091 16.796 -3.375) 33.761 16.282 ( -11.441 -6.605 -2.177) 13.389 16.603 ( 6.252 3.610 5.161) 8.874 16.848 ( 13.359 7.713 -2.251) 15.589 17.282 ( 2.410 1.391 17.524) 17.743 17.584 ( -2.015 -1.163 -4.600) 5.155 18.198 ( 1.679 0.969 11.938) 12.095 18.299 ( -5.773 -3.333 9.289) 11.433 19.672 ( 11.014 6.359 -15.206) 19.823 19.735 ( 13.402 7.737 -38.602) 41.588 21.048 ( 10.854 6.266 -5.678) 13.759 21.380 ( 9.542 5.509 8.647) 14.006 21.665 ( -0.353 -0.204 9.196) 9.205 22.253 ( 17.429 10.063 4.273) 20.574 22.828 ( -6.834 -3.946 13.560) 15.689 23.275 ( -5.218 -3.012 6.995) 9.232 23.507 ( 9.755 5.632 -8.619) 14.183 24.139 ( 0.177 0.102 5.379) 5.382 24.248 ( 1.376 0.795 -0.201) 1.602 24.587 ( -1.022 -0.590 0.504) 1.283 24.701 ( -7.864 -4.541 0.736) 9.111 25.151 ( -7.134 -4.119 -9.766) 12.776 25.534 ( -8.187 -4.727 3.727) 10.162 25.833 ( -16.162 -9.331 1.278) 18.706 26.304 ( 2.909 1.680 -2.470) 4.169 27.082 ( -6.389 -3.689 -3.763) 8.281 27.791 ( 6.263 3.616 -2.033) 7.512 28.126 ( 0.942 0.544 0.406) 1.162 34.048 ( -2.256 -1.303 6.888) 7.364 34.178 ( -6.074 -3.507 -2.767) 7.540 35.193 ( 5.387 3.110 -0.503) 6.240======================= Grid point 334 (114/189) =======================q-point: ( 0.25 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.015 ( 0.000 31.976 76.112) 82.556 5.151 ( 0.000 28.884 76.078) 81.377 8.222 ( 0.000 27.112 128.932) 131.752 12.454 ( -0.000 -20.401 -35.086) 40.586 12.939 ( -0.000 -2.438 -50.747) 50.806 13.097 ( -0.000 1.025 -55.996) 56.006 16.842 ( 0.000 -3.850 36.735) 36.936 17.516 ( -0.000 -10.576 -11.000) 15.260 17.692 ( 0.000 -4.436 10.298) 11.213 17.977 ( -0.000 -4.159 1.192) 4.326 18.113 ( 0.000 -1.051 10.349) 10.402 18.498 ( 0.000 -5.747 12.574) 13.825 18.591 ( 0.000 -0.435 13.288) 13.295 19.484 ( -0.000 -9.805 -16.607) 19.285 19.649 ( -0.000 -5.526 -27.224) 27.780 21.034 ( 0.000 8.201 -1.319) 8.307 21.119 ( -0.000 -3.310 -17.706) 18.012 22.305 ( -0.000 -10.977 -15.954) 19.366 22.561 ( -0.000 0.338 -9.796) 9.802 22.857 ( -0.000 16.691 -28.807) 33.293 23.477 ( 0.000 -2.460 16.625) 16.806 23.569 ( 0.000 2.963 21.497) 21.700 24.099 ( 0.000 6.284 0.314) 6.292 24.289 ( -0.000 -15.458 1.379) 15.520 24.451 ( 0.000 1.303 7.246) 7.362 24.547 ( -0.000 -2.262 3.012) 3.767 24.956 ( 0.000 -1.371 11.023) 11.108 25.099 ( 0.000 8.916 8.763) 12.501 25.769 ( 0.000 4.760 20.824) 21.361 26.106 ( -0.000 0.246 -12.727) 12.729 26.180 ( 0.000 8.476 -12.634) 15.214 27.870 ( -0.000 -0.108 -8.156) 8.156 28.434 ( -0.000 -3.806 3.867) 5.426 34.059 ( 0.000 -0.745 6.321) 6.364 34.151 ( 0.000 3.071 6.838) 7.496 35.316 ( -0.000 -1.918 -5.265) 5.603======================= Grid point 335 (115/189) =======================q-point: ( 0.33 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.820 ( 5.632 34.802 69.400) 77.841 6.297 ( 30.400 34.199 65.374) 79.797 9.487 ( 17.373 30.557 109.942) 115.424 11.891 ( -12.578 -25.095 -32.559) 42.989 12.402 ( -13.965 -3.185 -48.101) 50.188 12.868 ( 10.088 -0.548 -54.918) 55.839 17.009 ( -3.072 -4.784 34.323) 34.790 17.300 ( -2.159 -11.581 -12.590) 17.242 17.683 ( -3.134 -6.315 10.667) 12.786 17.851 ( -8.858 -7.391 0.557) 11.550 18.058 ( -10.564 -2.139 7.722) 13.259 18.448 ( -3.230 -10.659 5.364) 12.362 18.680 ( 4.154 -3.020 7.993) 9.501 19.268 ( -6.174 -5.968 -5.123) 9.999 19.482 ( 7.669 -9.493 -21.418) 24.650 20.939 ( -1.918 -4.410 -18.898) 19.501 21.164 ( 4.947 9.544 -0.808) 10.781 22.056 ( -5.658 -2.243 -21.776) 22.611 22.539 ( 4.274 0.470 -8.563) 9.582 22.815 ( -2.104 13.233 -22.976) 26.598 23.516 ( -7.381 -4.979 14.936) 17.388 23.607 ( -10.939 -2.642 16.519) 19.988 24.138 ( 3.932 -13.475 1.158) 14.085 24.217 ( 4.383 3.580 -0.326) 5.669 24.505 ( -2.360 2.712 6.602) 7.518 24.557 ( 0.172 0.530 6.021) 6.046 25.068 ( 5.909 -1.385 9.759) 11.492 25.265 ( 2.875 9.901 6.984) 12.453 25.985 ( -0.368 1.770 -4.531) 4.878 26.015 ( 3.729 5.249 10.578) 12.383 26.272 ( 7.792 8.848 -11.644) 16.570 27.820 ( 0.323 0.576 -8.037) 8.064 28.392 ( -2.417 -5.080 3.599) 6.678 34.077 ( -2.003 0.054 6.448) 6.753 34.260 ( 3.438 2.962 6.225) 7.704 35.242 ( -1.943 -2.614 -5.120) 6.068======================= Grid point 336 (116/189) =======================q-point: ( 0.42 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.806 ( 18.198 33.432 60.598) 71.562 7.596 ( 35.174 31.239 54.526) 72.015 10.676 ( 10.589 15.102 67.299) 69.781 11.140 ( -21.128 -18.228 -20.467) 34.606 11.870 ( -7.244 -1.356 -38.015) 38.722 12.671 ( 9.996 0.221 -53.702) 54.625 17.042 ( -3.994 -11.316 8.214) 14.542 17.152 ( -1.746 -5.991 15.936) 17.114 17.548 ( -10.396 -15.616 10.017) 21.267 17.622 ( -12.820 1.916 3.376) 13.394 17.821 ( -16.467 -5.937 8.137) 19.303 18.340 ( 3.613 -11.809 -1.677) 12.463 18.765 ( 3.651 -2.253 5.821) 7.231 19.087 ( -5.305 -4.837 -5.035) 8.769 19.414 ( 7.925 -8.469 -15.097) 19.039 20.731 ( -1.962 -4.218 -19.337) 19.888 21.350 ( 6.249 8.025 -0.503) 10.184 21.793 ( -8.605 4.908 -23.606) 25.601 22.591 ( 5.692 1.685 -6.199) 8.583 22.722 ( -8.835 2.898 -8.996) 12.938 23.161 ( -19.508 -8.639 -3.238) 21.580 23.600 ( -2.543 -5.232 18.144) 19.054 24.132 ( 5.572 -8.448 2.542) 10.434 24.304 ( -0.782 3.326 2.014) 3.966 24.557 ( 1.765 4.849 3.082) 6.010 24.613 ( 0.448 0.021 5.848) 5.865 25.217 ( 3.550 0.820 8.489) 9.238 25.492 ( 6.985 9.240 5.133) 12.670 25.886 ( -0.424 0.556 -11.818) 11.839 26.321 ( 9.206 7.044 13.213) 17.577 26.430 ( 8.926 7.133 -7.121) 13.463 27.784 ( 0.547 1.118 -8.036) 8.132 28.308 ( -3.610 -5.595 3.325) 7.442 34.086 ( -2.139 0.281 6.631) 6.973 34.395 ( 4.454 2.935 4.830) 7.196 35.132 ( -3.668 -3.127 -4.663) 6.707======================= Grid point 337 (117/189) =======================q-point: ( 0.50 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.859 ( 23.359 29.954 51.629) 64.097 8.778 ( 33.709 19.944 39.613) 55.707 10.148 ( -30.338 -22.622 -17.672) 41.767 10.988 ( -23.077 -1.331 -2.656) 23.268 12.023 ( 21.114 13.181 7.999) 26.144 12.519 ( 11.581 2.375 -48.999) 50.405 16.871 ( -7.128 -13.868 5.156) 16.423 17.163 ( -7.107 -15.104 14.829) 22.328 17.275 ( -11.379 -1.670 15.175) 19.041 17.480 ( -9.471 1.086 12.306) 15.567 17.604 ( -10.821 -1.168 12.106) 16.279 18.304 ( 6.367 -10.303 -4.126) 12.795 18.817 ( -2.583 -3.943 5.599) 7.318 18.953 ( 1.761 1.395 -8.243) 8.543 19.364 ( 8.871 -10.639 -14.649) 20.161 20.554 ( 0.360 -2.535 -18.259) 18.437 21.454 ( 0.035 4.189 -17.060) 17.566 21.593 ( -7.982 9.805 -5.661) 13.853 22.248 ( -28.396 -17.953 4.016) 33.834 22.697 ( 6.281 2.378 -4.025) 7.830 22.960 ( 1.271 7.593 -14.496) 16.413 23.616 ( -1.020 -8.304 14.952) 17.133 24.175 ( 3.355 -2.552 3.246) 5.320 24.290 ( -4.609 0.290 4.849) 6.697 24.639 ( 1.221 -1.997 2.916) 3.739 24.693 ( 4.513 5.436 1.506) 7.224 25.306 ( -0.003 0.944 6.986) 7.049 25.661 ( 0.734 7.320 -5.797) 9.367 25.897 ( 7.124 2.290 -1.004) 7.550 26.522 ( 6.527 5.395 -9.452) 12.691 26.694 ( 10.143 5.462 13.386) 17.661 27.746 ( -0.023 1.005 -8.558) 8.617 28.214 ( -3.304 -5.206 2.983) 6.850 34.098 ( -2.027 0.143 6.813) 7.109 34.528 ( 4.565 2.810 2.695) 6.000 34.998 ( -4.769 -3.351 -3.637) 6.870======================= Grid point 338 (118/189) =======================q-point: ( 0.58 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.774 ( -0.193 16.926 33.000) 37.088 9.069 ( 5.181 -22.815 -8.919) 25.038 10.027 ( 16.784 26.389 32.933) 45.416 10.430 ( -31.395 -6.226 -5.621) 32.496 12.357 ( 16.871 -2.805 -29.620) 34.203 12.540 ( 12.896 7.371 -19.328) 24.377 16.639 ( -10.058 -3.685 1.378) 10.800 16.831 ( -15.012 -12.203 6.804) 20.507 17.303 ( -4.582 -5.982 21.661) 22.934 17.333 ( -9.503 -7.047 4.436) 12.635 17.707 ( -5.655 12.181 27.866) 30.934 18.269 ( 5.016 -12.034 -5.171) 14.026 18.682 ( -8.845 1.887 -2.160) 9.299 19.112 ( 14.257 3.794 -1.071) 14.792 19.327 ( 12.091 -11.309 -13.191) 21.168 20.465 ( 4.204 -0.260 -15.431) 15.995 21.253 ( -19.750 -6.841 -5.408) 21.590 21.347 ( -13.278 1.181 -14.239) 19.505 21.898 ( -1.268 0.707 4.095) 4.345 22.796 ( 5.114 1.996 -2.719) 6.127 23.022 ( 5.217 8.069 -10.867) 14.506 23.597 ( -0.372 -10.689 11.266) 15.535 24.228 ( 0.135 1.970 3.196) 3.757 24.238 ( -5.042 -0.720 6.172) 8.002 24.645 ( 1.297 -4.141 1.765) 4.685 24.824 ( 4.056 3.549 1.075) 5.496 25.334 ( -1.503 -0.250 4.716) 4.956 25.664 ( -0.460 6.573 -8.153) 10.483 26.069 ( 6.559 3.266 2.206) 7.652 26.571 ( 1.955 2.751 -9.718) 10.287 26.985 ( 8.301 3.463 11.869) 14.892 27.683 ( -1.085 0.518 -9.511) 9.587 28.143 ( -1.688 -3.986 2.350) 4.926 34.109 ( -1.943 -0.266 6.926) 7.198 34.622 ( 1.945 1.753 -1.465) 3.000 34.878 ( -2.910 -2.416 -0.480) 3.813======================= Grid point 339 (119/189) =======================q-point: (-0.33 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.154 ( -32.037 -17.382 -7.948) 37.305 9.494 ( -12.717 -13.742 8.514) 20.568 9.963 ( -1.431 15.535 23.130) 27.899 10.798 ( 18.681 19.424 20.029) 33.577 12.394 ( 18.624 -4.845 -30.479) 36.045 12.636 ( 8.483 -1.451 -16.411) 18.531 16.512 ( -9.254 10.577 -0.499) 14.063 16.570 ( -8.194 -8.954 6.929) 13.977 17.109 ( -9.752 -5.432 -0.043) 11.163 17.298 ( -6.949 -2.682 18.177) 19.644 17.815 ( -6.498 1.938 14.696) 16.185 18.153 ( -0.760 -11.426 -3.709) 12.037 18.555 ( -8.951 5.794 -2.655) 10.988 19.231 ( 12.700 -14.528 -16.077) 25.116 19.618 ( 19.183 9.352 5.776) 22.109 20.461 ( 5.457 -4.141 -9.357) 11.597 20.763 ( -14.396 -5.836 11.108) 19.097 21.254 ( 3.059 11.174 -22.141) 24.989 21.976 ( 1.318 2.280 5.947) 6.504 22.867 ( 3.444 0.492 -1.906) 3.966 23.127 ( 5.657 6.931 -8.568) 12.388 23.545 ( -0.783 -11.345 8.835) 14.400 24.192 ( -4.234 -1.721 8.184) 9.374 24.257 ( -2.367 5.161 0.507) 5.700 24.626 ( 0.627 -5.083 1.648) 5.380 24.905 ( 1.649 0.753 1.466) 2.331 25.317 ( -1.528 -2.224 1.897) 3.298 25.691 ( -0.132 8.365 -4.934) 9.712 26.183 ( 3.130 1.239 0.200) 3.372 26.509 ( -4.224 0.250 -7.583) 8.683 27.190 ( 4.579 0.801 8.836) 9.984 27.605 ( -0.585 1.142 -10.081) 10.162 28.108 ( -0.091 -2.718 1.445) 3.079 34.117 ( -1.904 -0.943 6.859) 7.181 34.566 ( -5.172 -1.242 -4.744) 7.127 34.893 ( 3.786 0.770 2.164) 4.428======================= Grid point 340 (120/189) =======================q-point: (-0.25 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.419 ( -35.982 -12.026 3.372) 38.088 8.726 ( -47.807 -20.931 13.706) 53.958 10.589 ( 26.244 15.517 10.434) 32.224 11.077 ( -12.422 -7.839 11.000) 18.351 12.581 ( 24.255 4.281 -14.207) 28.434 12.691 ( 14.187 2.808 -18.015) 23.102 16.466 ( -2.002 -4.747 5.675) 7.665 16.497 ( -5.366 11.575 -0.319) 12.762 16.904 ( -11.137 3.018 -3.044) 11.933 17.271 ( -4.701 -4.264 15.851) 17.075 17.764 ( -5.311 -1.185 -1.753) 5.717 18.070 ( 3.331 -2.553 4.176) 5.921 18.452 ( -4.833 0.618 -2.657) 5.550 19.154 ( 10.448 -17.970 -16.595) 26.599 19.783 ( -3.098 5.712 -13.501) 14.983 20.605 ( 15.953 1.132 -1.037) 16.027 20.933 ( 12.291 10.547 23.547) 28.579 21.358 ( 10.875 10.539 -13.240) 20.116 22.026 ( -0.338 -1.951 5.215) 5.578 22.897 ( 1.522 -1.135 -0.926) 2.113 23.232 ( 5.581 5.206 -6.948) 10.321 23.471 ( -1.446 -9.640 6.679) 11.817 24.173 ( -2.887 -1.428 9.287) 9.830 24.263 ( -2.462 5.246 -1.027) 5.885 24.594 ( -0.357 -4.504 2.815) 5.323 24.907 ( -2.434 -0.870 1.308) 2.898 25.262 ( -1.555 -4.445 -1.459) 4.930 25.733 ( -2.821 8.191 -2.226) 8.944 26.195 ( -0.377 -2.891 -3.615) 4.644 26.351 ( -8.721 0.485 -2.493) 9.083 27.241 ( -2.106 -2.280 1.291) 3.361 27.599 ( 4.028 3.579 -5.315) 7.569 28.099 ( 0.754 -1.878 0.504) 2.086 34.115 ( -1.827 -2.033 6.355) 6.918 34.414 ( -7.129 -1.294 -3.245) 7.938 35.000 ( 5.587 1.542 0.790) 5.850======================= Grid point 341 (121/189) =======================q-point: (-0.17 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.700 ( -43.918 -11.463 18.736) 49.104 7.738 ( -57.167 -22.180 24.562) 66.056 10.380 ( -54.583 -26.844 19.254) 63.802 11.229 ( 33.795 11.536 -12.364) 37.790 12.907 ( 23.171 4.790 -22.133) 32.399 13.119 ( 27.399 16.684 -5.469) 32.542 16.391 ( -6.796 -3.153 0.079) 7.492 16.576 ( 4.345 2.536 6.140) 7.938 16.812 ( -2.294 10.443 -3.154) 11.147 17.289 ( 2.231 -7.080 12.836) 14.828 17.649 ( -4.485 2.820 -2.163) 5.722 18.241 ( 5.857 4.170 8.447) 11.093 18.362 ( -1.941 -4.665 -1.396) 5.242 19.074 ( 15.113 -14.613 -17.088) 27.091 19.724 ( 0.325 16.184 -22.940) 28.076 20.855 ( 12.987 4.541 -5.591) 14.851 21.351 ( 7.844 7.209 7.758) 13.179 21.721 ( 13.294 9.581 14.979) 22.201 22.029 ( 8.654 -6.278 2.155) 10.907 22.884 ( -0.684 -2.653 0.524) 2.789 23.303 ( 2.249 -4.207 2.209) 5.257 23.429 ( 2.168 1.450 -3.709) 4.534 24.189 ( -1.316 -0.959 9.466) 9.605 24.272 ( -0.782 3.455 -0.192) 3.548 24.570 ( -1.024 -3.201 4.943) 5.977 24.824 ( -6.450 -1.087 0.003) 6.541 25.135 ( -4.869 -5.511 -7.993) 10.861 25.682 ( -8.839 2.217 -0.713) 9.141 26.036 ( -11.256 -2.986 2.029) 11.820 26.275 ( -0.680 1.869 -2.710) 3.361 27.127 ( -5.807 -2.615 -4.842) 8.000 27.714 ( 6.118 4.080 -0.564) 7.375 28.102 ( 1.430 -1.213 -0.358) 1.909 34.094 ( -1.688 -3.913 4.615) 6.282 34.272 ( -7.370 0.498 0.166) 7.389 35.114 ( 5.924 1.467 -0.811) 6.156======================= Grid point 347 (122/189) =======================q-point: ( 0.33 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.678 ( 0.000 30.506 61.516) 68.665 6.746 ( 0.000 46.934 62.425) 78.100 10.386 ( 0.000 32.750 101.142) 106.312 11.513 ( -0.000 -28.752 -30.215) 41.708 12.247 ( -0.000 -2.186 -45.899) 45.951 12.342 ( -0.000 -2.641 -52.037) 52.104 17.103 ( -0.000 -12.092 -11.779) 16.881 17.210 ( 0.000 -6.920 31.350) 32.105 17.677 ( -0.000 -14.005 11.115) 17.880 17.895 ( -0.000 1.624 -5.703) 5.930 18.109 ( -0.000 -9.532 3.772) 10.251 18.462 ( -0.000 -15.575 -5.993) 16.688 18.524 ( 0.000 -4.995 8.299) 9.687 19.083 ( -0.000 -20.556 -16.650) 26.454 19.388 ( 0.000 1.368 11.848) 11.927 20.775 ( -0.000 -5.797 -19.841) 20.671 21.210 ( 0.000 9.908 -2.612) 10.246 21.984 ( -0.000 6.141 -21.184) 22.056 22.443 ( -0.000 2.405 -9.784) 10.075 22.807 ( -0.000 13.989 -25.329) 28.936 23.634 ( 0.000 -5.289 14.352) 15.296 23.829 ( -0.000 -26.902 -0.432) 26.905 23.870 ( 0.000 0.310 15.166) 15.169 24.269 ( 0.000 10.622 0.411) 10.630 24.574 ( 0.000 -1.338 4.207) 4.414 24.650 ( 0.000 5.991 12.618) 13.968 25.038 ( 0.000 -4.025 8.816) 9.691 25.374 ( 0.000 9.955 3.404) 10.520 25.935 ( -0.000 -0.102 -12.820) 12.820 26.142 ( 0.000 6.868 14.665) 16.193 26.230 ( 0.000 10.823 -7.360) 13.088 27.774 ( -0.000 1.558 -8.080) 8.229 28.376 ( -0.000 -6.732 3.269) 7.483 34.143 ( 0.000 0.606 6.249) 6.278 34.298 ( 0.000 2.999 5.708) 6.447 35.198 ( -0.000 -2.996 -4.875) 5.722======================= Grid point 348 (123/189) =======================q-point: ( 0.42 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.358 ( 4.186 31.618 55.196) 63.748 7.808 ( 19.889 39.621 52.130) 68.432 10.918 ( -12.751 -27.809 -17.955) 35.472 11.364 ( 6.763 25.173 64.199) 69.289 11.756 ( -12.275 -1.178 -40.434) 42.273 12.159 ( 9.932 0.637 -43.821) 44.937 16.917 ( 1.025 -11.266 -7.159) 13.387 17.304 ( -3.437 -9.807 26.713) 28.663 17.558 ( -3.012 -17.352 9.598) 20.057 17.815 ( -5.614 0.709 0.825) 5.718 18.058 ( 6.507 -12.046 -6.501) 15.156 18.100 ( -16.847 -10.605 1.204) 19.943 18.648 ( 8.266 -3.177 2.872) 9.309 18.818 ( 4.706 -23.032 -9.408) 25.321 19.443 ( -5.709 1.766 11.719) 13.155 20.573 ( -0.850 -5.839 -20.025) 20.876 21.304 ( 4.343 6.872 -7.392) 10.988 21.891 ( -6.808 13.703 -17.232) 23.045 22.466 ( 5.285 4.073 -7.742) 10.221 22.767 ( -1.064 11.194 -21.171) 23.972 23.365 ( -15.302 -26.115 -1.767) 30.320 23.631 ( -4.786 -5.774 9.766) 12.313 24.027 ( 5.536 -4.150 12.815) 14.563 24.378 ( -0.739 8.832 1.013) 8.921 24.594 ( 0.910 0.628 3.618) 3.783 24.723 ( -5.907 2.820 10.452) 12.333 25.182 ( 10.085 0.474 10.186) 14.342 25.505 ( 3.240 8.378 1.266) 9.071 25.831 ( -1.809 0.352 -12.258) 12.396 26.290 ( 5.321 9.262 -7.898) 13.285 26.400 ( 5.390 6.431 14.805) 17.017 27.742 ( 0.108 2.444 -8.074) 8.437 28.310 ( -1.732 -7.471 3.072) 8.262 34.173 ( -1.989 0.910 6.233) 6.606 34.389 ( 3.007 2.698 4.280) 5.885 35.119 ( -1.941 -3.204 -4.358) 5.747======================= Grid point 349 (124/189) =======================q-point: ( 0.50 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 868Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.142 ( 15.359 21.988 44.643) 52.080 8.784 ( 17.170 26.811 35.916) 47.995 10.280 ( -17.526 -17.081 -11.631) 27.096 11.299 ( -16.578 -0.411 -18.483) 24.832 11.843 ( 11.278 3.418 -23.788) 26.547 12.211 ( 3.871 14.594 6.778) 16.550 16.824 ( 0.443 -11.857 3.953) 12.507 17.216 ( -5.941 -14.933 11.606) 19.824 17.449 ( -2.863 -13.610 17.773) 22.568 17.683 ( -10.458 -9.046 -2.842) 14.116 17.847 ( -2.421 3.057 14.870) 15.373 18.032 ( 3.891 -4.410 -8.642) 10.453 18.648 ( 6.398 -21.496 -5.523) 23.098 18.768 ( 6.846 -0.946 1.296) 7.031 19.382 ( -9.847 0.183 8.733) 13.163 20.387 ( 0.615 -4.094 -18.693) 19.146 21.347 ( 3.048 4.763 -19.502) 20.305 21.829 ( -7.894 15.850 -5.017) 18.404 22.567 ( -19.920 -11.131 -4.934) 23.346 22.575 ( 3.496 4.215 -5.806) 7.982 22.915 ( -1.926 -4.081 -11.404) 12.265 23.539 ( -0.403 -9.518 -0.085) 9.527 24.163 ( 3.720 -2.268 13.882) 14.550 24.404 ( -3.603 1.674 4.138) 5.736 24.655 ( -0.618 0.860 3.554) 3.709 24.727 ( -0.832 3.950 5.921) 7.166 25.387 ( 1.107 4.606 8.960) 10.135 25.672 ( 3.738 6.610 -3.277) 8.271 25.757 ( 5.874 0.209 -7.571) 9.585 26.413 ( 5.930 7.273 -9.139) 13.099 26.679 ( 8.308 4.818 14.905) 17.731 27.710 ( -0.468 2.595 -8.470) 8.871 28.220 ( -2.354 -7.223 2.907) 8.134 34.184 ( -2.376 0.622 6.207) 6.675 34.498 ( 3.961 2.489 2.296) 5.210 35.014 ( -3.520 -3.211 -3.434) 5.874======================= Grid point 350 (125/189) =======================q-point: ( 0.58 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.668 ( 9.807 -21.496 3.772) 23.927 9.244 ( -4.274 24.728 29.746) 38.917 10.196 ( 6.710 22.973 6.659) 24.842 10.926 ( -21.294 -3.032 12.451) 24.853 11.809 ( 13.985 -3.086 -39.597) 42.108 12.381 ( 1.047 6.082 -5.446) 8.231 16.723 ( -3.323 -4.542 3.051) 6.402 16.974 ( -11.276 -15.461 7.328) 20.492 17.361 ( -4.249 -16.067 11.172) 20.026 17.496 ( -4.330 -1.359 3.636) 5.815 17.956 ( 6.455 -9.046 -10.604) 15.361 18.100 ( -2.222 9.956 17.970) 20.664 18.571 ( 8.355 -10.493 5.130) 14.361 18.915 ( 12.154 -0.180 -0.283) 12.159 19.255 ( -10.155 -1.765 9.272) 13.864 20.282 ( 3.781 -1.412 -15.401) 15.921 21.251 ( -0.785 7.280 -28.175) 29.111 21.697 ( -28.108 -13.745 5.837) 31.829 22.016 ( -9.091 2.789 -0.970) 9.558 22.696 ( 6.125 3.935 -4.943) 8.800 22.934 ( 6.058 5.996 -10.433) 13.472 23.442 ( 3.138 -10.602 -5.811) 12.491 24.275 ( 0.969 -0.950 9.290) 9.389 24.380 ( -3.652 -0.522 8.613) 9.370 24.645 ( -2.295 -2.746 7.816) 8.596 24.816 ( 1.623 4.399 1.272) 4.858 25.441 ( -4.692 4.260 5.068) 8.115 25.668 ( 0.831 4.868 -8.244) 9.610 25.954 ( 10.946 2.545 -0.950) 11.278 26.502 ( 3.673 5.222 -8.097) 10.311 26.954 ( 8.238 2.698 12.755) 15.422 27.657 ( -1.664 2.106 -9.235) 9.617 28.137 ( -1.640 -5.996 2.500) 6.700 34.187 ( -2.275 -0.175 5.957) 6.379 34.593 ( 3.134 2.337 -0.438) 3.934 34.901 ( -3.607 -2.931 -1.448) 4.868======================= Grid point 351 (126/189) =======================q-point: ( 0.67 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 868Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.274 ( -12.267 -22.507 -10.968) 27.881 9.660 ( -5.227 11.495 21.684) 25.092 10.401 ( -10.900 18.116 -0.412) 21.147 10.969 ( 3.089 8.529 40.548) 41.551 11.795 ( 19.357 -5.414 -31.599) 37.450 12.343 ( 5.208 -4.653 -17.177) 18.543 16.649 ( -7.569 -8.418 5.058) 12.399 16.772 ( -5.226 10.051 1.519) 11.430 17.157 ( -6.231 -12.532 1.940) 14.129 17.485 ( -2.699 0.115 9.410) 9.790 17.878 ( 8.010 -10.705 -18.215) 22.595 18.028 ( -9.885 -5.629 0.062) 11.376 18.740 ( -3.158 5.112 11.029) 12.560 19.026 ( -5.447 -2.807 -1.336) 6.271 19.402 ( 21.166 2.298 24.430) 32.406 20.260 ( 4.839 -3.146 -11.511) 12.878 21.038 ( -22.276 -16.842 7.935) 29.031 21.148 ( 2.047 8.928 -26.779) 28.302 22.060 ( -1.442 7.407 4.055) 8.567 22.787 ( 4.433 2.270 -4.033) 6.408 23.046 ( 6.141 6.527 -7.401) 11.623 23.363 ( 5.150 -10.316 -8.025) 14.048 24.284 ( -2.374 -2.608 6.047) 7.000 24.388 ( -3.178 1.258 5.531) 6.502 24.643 ( -2.707 -2.977 13.284) 13.880 24.874 ( 2.197 0.130 0.519) 2.261 25.390 ( -6.149 1.669 -0.001) 6.372 25.728 ( 2.541 8.459 -3.908) 9.658 26.108 ( 6.152 0.929 -2.956) 6.888 26.525 ( -0.639 3.459 -5.887) 6.858 27.169 ( 5.731 0.017 10.400) 11.875 27.579 ( -2.055 2.415 -9.886) 10.382 28.084 ( -0.192 -4.412 1.616) 4.703 34.180 ( -2.068 -1.432 5.261) 5.831 34.610 ( -2.673 1.454 -3.252) 4.453 34.853 ( 1.540 -1.491 1.343) 2.529======================= Grid point 352 (127/189) =======================q-point: (-0.25 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.820 ( -18.897 -7.035 -1.515) 20.221 9.355 ( -34.773 -10.736 12.054) 38.337 10.558 ( 0.615 13.614 6.148) 14.950 11.225 ( -1.384 -8.190 20.690) 22.295 12.065 ( 27.968 6.165 -14.585) 32.139 12.345 ( 14.317 -0.546 -13.306) 19.553 16.487 ( -4.129 -7.547 5.916) 10.441 16.777 ( -11.293 8.683 -2.853) 14.528 17.037 ( -1.684 3.537 2.421) 4.605 17.479 ( -8.687 3.422 2.106) 9.571 17.788 ( 1.298 -8.347 -8.791) 12.192 17.858 ( 5.896 -1.497 -8.244) 10.245 18.616 ( -16.765 1.948 -0.196) 16.879 18.895 ( -1.340 -12.501 4.598) 13.387 19.755 ( 1.562 -2.999 -0.534) 3.423 20.327 ( 16.666 -1.502 3.228) 17.042 20.965 ( 10.343 1.337 18.695) 21.407 21.165 ( 7.596 9.004 -18.898) 22.269 22.098 ( -3.545 2.011 4.614) 6.156 22.839 ( 2.688 0.227 -2.496) 3.675 23.161 ( 4.887 6.313 -5.808) 9.873 23.312 ( 5.767 -8.045 -7.434) 12.379 24.256 ( -1.953 -4.060 6.908) 8.247 24.353 ( -3.507 1.576 -0.968) 3.965 24.665 ( -4.141 -1.739 16.964) 17.548 24.902 ( 1.563 -2.408 0.756) 2.968 25.277 ( -5.482 -1.353 -4.201) 7.038 25.833 ( 0.324 10.101 -2.213) 10.346 26.142 ( 1.302 -0.887 -4.778) 5.031 26.474 ( -5.351 2.311 -1.933) 6.141 27.253 ( -0.574 -3.101 3.334) 4.589 27.551 ( 2.172 4.888 -5.427) 7.620 28.060 ( 0.932 -3.258 0.435) 3.416 34.155 ( -1.911 -3.082 3.868) 5.302 34.519 ( -6.540 1.326 -1.220) 6.784 34.917 ( 5.194 -0.319 0.402) 5.219======================= Grid point 353 (128/189) =======================q-point: (-0.17 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 868Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.421 ( -31.211 0.946 13.951) 34.200 8.623 ( -48.136 -13.791 22.090) 54.729 10.590 ( 7.404 -14.632 -17.220) 23.779 11.164 ( -15.476 -0.862 27.142) 31.256 12.377 ( 23.065 -2.131 -21.294) 31.464 12.803 ( 26.506 20.053 -3.102) 33.381 16.433 ( -1.117 -4.542 4.852) 6.739 16.633 ( -5.078 0.910 -0.467) 5.180 17.033 ( -11.156 11.416 -3.527) 16.347 17.305 ( -5.532 -7.447 4.779) 10.436 17.700 ( 0.252 -0.140 -4.938) 4.946 18.033 ( 10.901 2.529 -12.518) 16.791 18.400 ( -4.480 0.233 4.943) 6.675 18.794 ( 1.241 -10.661 4.643) 11.695 19.690 ( 1.314 6.418 -16.670) 17.911 20.639 ( 14.163 3.990 -1.133) 14.758 21.321 ( 11.176 7.489 -8.909) 16.135 21.447 ( 24.875 -2.654 21.063) 32.703 22.040 ( -6.667 -2.384 6.600) 9.680 22.845 ( 1.103 -3.606 -0.838) 3.863 23.251 ( 2.712 2.061 -0.951) 3.536 23.316 ( 5.755 1.382 -8.850) 10.647 24.226 ( -0.272 -6.322 5.233) 8.211 24.318 ( -1.840 2.353 -0.219) 2.995 24.687 ( -5.228 -0.709 16.753) 17.564 24.872 ( -2.269 -3.170 -1.311) 4.113 25.121 ( -4.954 -3.731 -7.989) 10.114 25.855 ( -6.966 6.574 -2.578) 9.920 26.114 ( -0.198 1.258 -2.769) 3.048 26.377 ( -8.002 1.861 1.952) 8.444 27.162 ( -4.767 -2.441 -4.617) 7.071 27.660 ( 5.316 4.926 0.664) 7.278 28.053 ( 1.617 -2.453 -0.762) 3.035 34.104 ( -1.950 -4.520 2.178) 5.383 34.421 ( -7.101 2.332 2.288) 7.816 35.010 ( 6.115 -0.252 -1.196) 6.236======================= Grid point 360 (129/189) =======================q-point: ( 0.42 0.42 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.888 ( 0.000 16.618 45.255) 48.210 8.440 ( 0.000 47.058 49.349) 68.189 10.596 ( -0.000 -26.464 -20.454) 33.447 11.520 ( -0.000 3.046 -35.904) 36.033 11.682 ( -0.000 3.765 -39.234) 39.414 12.207 ( 0.000 20.388 54.115) 57.828 16.744 ( -0.000 -9.326 -7.213) 11.790 17.391 ( -0.000 -14.260 22.059) 26.267 17.452 ( -0.000 -18.401 6.109) 19.389 17.735 ( -0.000 -23.524 -4.626) 23.974 17.847 ( -0.000 -3.148 -4.346) 5.366 18.234 ( -0.000 -5.221 5.453) 7.550 18.514 ( -0.000 -20.349 2.015) 20.449 18.588 ( 0.000 2.634 4.159) 4.923 19.595 ( 0.000 1.295 10.557) 10.636 20.387 ( -0.000 -6.029 -19.374) 20.290 21.251 ( -0.000 4.120 -13.581) 14.192 22.018 ( 0.000 17.789 -11.775) 21.333 22.421 ( 0.000 5.678 -5.438) 7.862 22.729 ( -0.000 9.893 -21.623) 23.779 23.114 ( -0.000 -29.683 -10.591) 31.516 23.811 ( 0.000 -3.893 15.675) 16.151 23.978 ( 0.000 -3.802 8.241) 9.076 24.515 ( 0.000 12.835 0.674) 12.853 24.591 ( 0.000 -2.666 4.430) 5.170 24.975 ( 0.000 8.078 11.354) 13.935 25.040 ( -0.000 -6.348 7.638) 9.932 25.567 ( 0.000 7.896 -1.049) 7.966 25.778 ( -0.000 0.117 -9.481) 9.482 26.281 ( 0.000 9.971 -9.236) 13.592 26.518 ( 0.000 4.884 16.699) 17.399 27.718 ( -0.000 3.592 -8.107) 8.867 28.266 ( -0.000 -8.284 3.061) 8.831 34.243 ( 0.000 1.132 5.779) 5.889 34.410 ( 0.000 2.224 3.062) 3.785 35.077 ( -0.000 -3.084 -3.841) 4.926======================= Grid point 361 (130/189) =======================q-point: ( 0.50 0.42 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.303 ( 6.360 -0.861 32.726) 33.350 9.217 ( 3.563 39.094 37.572) 54.338 10.240 ( -3.408 -10.814 -9.575) 14.841 11.281 ( -1.880 2.993 -30.538) 30.742 11.511 ( 2.758 5.872 -36.227) 36.803 12.622 ( -8.844 13.912 30.569) 34.731 16.687 ( 5.273 -8.461 1.606) 10.098 17.206 ( -5.594 -16.185 1.945) 17.235 17.398 ( 2.591 -17.871 11.276) 21.289 17.490 ( -0.936 -21.948 -2.709) 22.135 17.852 ( 8.956 -7.710 9.695) 15.286 18.139 ( -9.920 -1.653 6.327) 11.882 18.384 ( 3.072 -16.680 7.845) 18.687 18.737 ( 2.568 10.768 3.675) 11.664 19.595 ( -6.946 -0.051 6.787) 9.712 20.216 ( 0.518 -4.026 -16.727) 17.212 21.192 ( 2.708 0.354 -19.475) 19.666 22.075 ( -5.596 15.931 -5.249) 17.683 22.494 ( 4.280 6.216 -4.006) 8.544 22.683 ( -8.468 -3.933 -20.404) 22.439 22.725 ( 3.549 -13.659 -9.133) 16.810 23.641 ( -16.282 -3.584 5.031) 17.415 24.126 ( 7.880 -3.642 11.652) 14.530 24.516 ( -5.305 0.834 3.288) 6.296 24.697 ( 2.352 7.372 1.603) 7.903 24.870 ( -7.358 -1.075 9.330) 11.931 25.349 ( 15.978 2.028 6.134) 17.235 25.624 ( 1.412 5.035 -3.564) 6.328 25.713 ( -2.953 2.242 -5.302) 6.470 26.349 ( 3.679 8.137 -7.969) 11.969 26.709 ( 4.633 3.460 15.388) 16.438 27.697 ( -0.592 3.852 -8.492) 9.344 28.195 ( -1.194 -7.932 3.171) 8.626 34.269 ( -2.157 0.717 5.337) 5.801 34.472 ( 2.922 1.822 1.396) 3.716 35.009 ( -1.881 -2.762 -3.053) 4.527======================= Grid point 362 (131/189) =======================q-point: ( 0.58 0.42 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.390 ( 1.194 -24.571 9.132) 26.241 9.769 ( -1.343 30.127 25.971) 39.798 10.300 ( 8.246 15.654 1.817) 17.786 11.139 ( -3.293 -0.148 -2.730) 4.280 11.391 ( 3.791 4.836 -32.854) 33.423 12.584 ( -16.206 4.293 1.643) 16.845 16.710 ( 2.676 -4.905 4.397) 7.110 17.001 ( -4.456 -14.486 2.921) 15.434 17.268 ( 4.222 -13.350 -12.304) 18.639 17.314 ( 0.676 -17.531 8.036) 19.296 17.963 ( -8.817 -5.297 2.871) 10.679 18.102 ( 8.826 -10.277 18.354) 22.812 18.431 ( 13.583 -6.824 15.080) 21.412 18.898 ( -3.083 15.018 6.652) 16.712 19.491 ( -8.884 1.263 6.467) 11.061 20.122 ( 2.533 -0.721 -11.861) 12.150 21.073 ( 2.718 -4.633 -23.434) 24.042 22.016 ( -18.383 -10.985 1.499) 21.467 22.201 ( -11.135 6.345 -14.639) 19.456 22.613 ( 5.223 5.621 -4.508) 8.900 22.786 ( 7.681 2.873 -6.950) 10.750 23.374 ( -9.666 -2.322 -5.601) 11.410 24.274 ( 4.587 -3.127 9.442) 10.953 24.454 ( -3.518 -1.754 3.170) 5.050 24.752 ( -3.251 1.694 8.145) 8.932 24.876 ( -1.425 2.227 5.913) 6.477 25.581 ( 6.871 2.225 -2.424) 7.618 25.635 ( -5.984 3.491 -2.272) 7.291 25.758 ( 11.108 3.629 -1.167) 11.744 26.443 ( 4.193 6.137 -6.350) 9.776 26.933 ( 6.821 1.682 13.452) 15.176 27.654 ( -1.759 3.268 -9.136) 9.861 28.119 ( -1.525 -6.524 3.045) 7.360 34.261 ( -2.660 -0.431 4.459) 5.210 34.553 ( 3.739 1.817 -0.190) 4.161 34.922 ( -3.183 -2.334 -1.771) 4.326======================= Grid point 363 (132/189) =======================q-point: ( 0.67 0.42 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.120 ( -3.816 -21.468 -1.935) 21.891 10.102 ( -9.996 16.452 15.422) 24.667 10.647 ( 8.471 24.212 -0.472) 25.655 11.132 ( 0.998 -9.168 8.586) 12.600 11.335 ( 8.469 2.319 -11.971) 14.846 12.286 ( -13.178 -1.060 -10.135) 16.658 16.718 ( -6.271 -7.364 2.496) 9.989 16.875 ( 4.071 5.515 3.027) 7.493 17.117 ( -3.566 -14.872 1.307) 15.350 17.279 ( 12.216 -6.995 -14.875) 20.480 17.786 ( -7.432 -3.821 3.535) 9.073 18.052 ( -4.536 -13.835 5.315) 15.499 18.866 ( 20.642 -4.207 9.056) 22.931 18.970 ( -6.553 5.467 6.645) 10.816 19.533 ( -3.246 13.009 26.375) 29.588 20.103 ( 2.400 -2.133 -8.003) 8.623 20.895 ( 3.297 -13.469 -18.806) 23.365 21.382 ( -26.706 -6.771 -7.354) 28.515 22.199 ( -2.859 10.806 -2.727) 11.505 22.717 ( 4.423 4.191 -3.879) 7.223 22.921 ( 8.655 1.421 -2.017) 9.000 23.207 ( -2.353 0.761 -11.950) 12.203 24.321 ( -1.205 -3.486 5.300) 6.458 24.421 ( 0.022 -2.099 1.489) 2.573 24.786 ( -2.441 0.063 14.491) 14.695 24.878 ( -2.332 -1.311 3.898) 4.728 25.512 ( -6.490 0.094 -6.185) 8.966 25.721 ( 5.036 7.729 -0.153) 9.226 25.961 ( 9.259 1.856 -2.469) 9.760 26.517 ( 2.271 4.625 -4.594) 6.903 27.137 ( 6.085 -0.712 11.605) 13.123 27.583 ( -2.500 3.269 -9.657) 10.498 28.059 ( -0.998 -4.775 2.272) 5.381 34.230 ( -2.549 -2.002 3.121) 4.500 34.623 ( 2.091 2.459 -1.495) 3.558 34.843 ( -2.262 -2.216 0.066) 3.168======================= Grid point 364 (133/189) =======================q-point: (-0.25 0.42 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.917 ( -2.793 -4.492 -0.978) 5.380 9.894 ( -26.423 -3.222 8.998) 28.098 10.806 ( -17.798 -3.418 -7.445) 19.593 11.158 ( 15.134 1.345 12.704) 19.805 11.602 ( 20.210 -1.644 -5.055) 20.897 12.172 ( 4.321 12.057 -2.217) 12.998 16.534 ( -5.846 -7.521 3.795) 10.254 16.889 ( -6.784 -10.701 -2.905) 12.999 17.115 ( 7.378 10.684 -0.848) 13.011 17.320 ( 6.478 -0.187 -17.266) 18.442 17.772 ( -0.268 6.775 7.503) 10.113 17.848 ( -3.964 -7.070 0.976) 8.164 18.846 ( -6.548 -9.772 5.976) 13.194 19.010 ( -10.476 6.879 -7.233) 14.470 19.741 ( -7.100 -9.849 12.222) 17.228 20.086 ( 11.740 -3.011 10.524) 16.052 20.745 ( 8.958 -10.162 -8.826) 16.168 21.161 ( 0.133 11.893 -2.096) 12.077 22.212 ( -3.461 4.835 -0.977) 6.025 22.789 ( 2.341 1.276 -1.403) 3.013 23.068 ( 8.196 -1.199 1.142) 8.361 23.151 ( 1.770 7.532 -13.755) 15.782 24.268 ( -2.273 -5.600 3.058) 6.773 24.401 ( -1.665 0.090 -0.763) 1.833 24.850 ( -0.288 0.190 7.988) 7.996 24.852 ( -2.419 -5.338 13.392) 14.618 25.331 ( -7.025 -2.644 -9.411) 12.038 25.887 ( 3.695 9.391 -0.399) 10.100 26.068 ( 4.045 1.046 -3.369) 5.367 26.546 ( -1.007 3.707 -2.034) 4.346 27.244 ( 0.985 -4.268 6.096) 7.507 27.545 ( 0.606 5.931 -6.201) 8.603 28.020 ( -0.048 -3.574 0.911) 3.689 34.176 ( -2.367 -3.534 1.655) 4.564 34.632 ( -3.749 3.337 -0.292) 5.027 34.828 ( 3.261 -2.298 0.069) 3.990======================= Grid point 365 (134/189) =======================q-point: (-0.17 0.42 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.897 ( -8.374 11.042 7.215) 15.624 9.375 ( -36.063 -9.429 17.744) 41.283 10.277 ( -9.979 -27.575 -13.943) 32.471 11.474 ( 1.606 6.322 18.204) 19.337 11.824 ( 20.500 -5.786 -15.769) 26.503 12.613 ( 19.801 24.392 0.971) 31.432 16.443 ( -1.567 -4.086 4.963) 6.617 16.669 ( -4.675 -7.299 -3.967) 9.533 17.199 ( 3.648 -5.300 -20.704) 21.681 17.289 ( -4.511 4.070 8.935) 10.805 17.649 ( -3.711 -0.692 -1.891) 4.222 18.123 ( -3.738 23.048 1.332) 23.387 18.544 ( -13.498 -11.651 6.650) 19.030 18.760 ( -4.615 -4.627 -0.384) 6.546 19.601 ( 1.159 -0.447 -9.703) 9.782 20.430 ( 16.963 -0.732 9.762) 19.585 20.847 ( 19.627 -8.534 -10.367) 23.781 21.399 ( 7.387 8.993 8.158) 14.212 22.174 ( -4.651 -0.117 4.827) 6.704 22.783 ( 0.166 -4.522 -0.829) 4.600 23.200 ( 6.606 7.196 -5.124) 11.030 23.230 ( 3.611 6.378 -2.497) 7.743 24.184 ( -1.344 -7.474 1.421) 7.726 24.372 ( -1.957 1.603 -0.080) 2.531 24.832 ( -0.370 -5.539 2.344) 6.026 24.894 ( -4.288 -2.064 17.167) 17.815 25.109 ( -5.452 -3.851 -12.617) 14.274 25.991 ( -1.795 7.695 -1.565) 8.055 26.095 ( 1.067 1.762 -2.945) 3.594 26.536 ( -4.391 3.873 2.248) 6.271 27.177 ( -3.627 -3.988 -2.927) 6.134 27.639 ( 4.157 6.149 0.800) 7.465 27.998 ( 0.945 -2.811 -0.651) 3.036 34.105 ( -2.190 -4.424 0.904) 5.018 34.582 ( -6.264 3.422 2.574) 7.588 34.886 ( 5.944 -1.969 -1.657) 6.477======================= Grid point 373 (135/189) =======================q-point: ( 0.50 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.357 ( -0.000 -17.627 23.693) 29.530 9.770 ( 0.000 31.701 22.606) 38.935 10.143 ( -0.000 0.480 -4.316) 4.342 11.161 ( -0.000 9.278 -17.909) 20.169 11.385 ( -0.000 12.401 -28.329) 30.924 12.953 ( 0.000 6.220 7.145) 9.473 16.569 ( -0.000 -6.967 3.937) 8.003 17.133 ( -0.000 -17.907 -2.750) 18.117 17.168 ( -0.000 -15.395 3.037) 15.692 17.374 ( -0.000 -20.206 13.245) 24.160 17.688 ( -0.000 -16.709 15.613) 22.868 18.241 ( -0.000 -15.200 7.807) 17.088 18.267 ( 0.000 -2.426 5.513) 6.023 18.941 ( 0.000 23.147 9.293) 24.943 19.675 ( -0.000 -1.816 1.624) 2.436 20.085 ( -0.000 -1.285 -11.664) 11.735 21.004 ( -0.000 -7.570 -19.500) 20.918 22.220 ( 0.000 4.634 -2.090) 5.083 22.436 ( -0.000 -8.990 -21.204) 23.031 22.505 ( 0.000 6.608 -1.110) 6.701 22.654 ( -0.000 8.238 -17.018) 18.907 23.928 ( 0.000 -1.692 9.934) 10.077 23.982 ( -0.000 -4.793 5.922) 7.619 24.595 ( -0.000 -3.019 4.850) 5.713 24.774 ( 0.000 12.152 0.608) 12.167 25.019 ( -0.000 -6.973 9.952) 12.152 25.150 ( 0.000 3.024 -4.432) 5.365 25.608 ( -0.000 0.901 -5.656) 5.728 25.794 ( 0.000 6.051 4.094) 7.306 26.344 ( 0.000 7.125 -6.816) 9.860 26.798 ( 0.000 1.963 14.981) 15.109 27.685 ( -0.000 3.998 -8.885) 9.743 28.151 ( -0.000 -7.235 3.582) 8.073 34.332 ( 0.000 0.371 4.938) 4.952 34.460 ( 0.000 0.952 -0.383) 1.026 34.983 ( -0.000 -2.012 -2.455) 3.174======================= Grid point 374 (136/189) =======================q-point: ( 0.58 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.236 ( -2.500 -25.887 12.545) 28.875 10.114 ( 4.897 18.948 5.018) 20.204 10.238 ( 6.843 6.871 -5.758) 11.278 11.236 ( -3.763 12.683 10.930) 17.160 11.340 ( -2.748 15.852 -20.735) 26.244 12.833 ( -11.696 -0.387 -15.538) 19.452 16.589 ( 6.563 -7.273 4.721) 10.875 16.922 ( -3.366 -9.336 -0.045) 9.925 17.083 ( 0.443 -12.158 -0.126) 12.166 17.221 ( -3.176 -17.946 10.997) 21.285 17.801 ( 13.130 -17.356 21.315) 30.462 18.157 ( -0.827 -5.809 8.154) 10.046 18.233 ( 1.330 -10.341 2.365) 10.691 19.242 ( -4.760 23.574 12.353) 27.036 19.627 ( -1.678 1.442 1.784) 2.842 20.044 ( 0.643 2.595 -5.050) 5.714 20.778 ( 2.366 -16.706 -18.491) 25.032 22.062 ( -6.036 -11.545 -13.236) 18.572 22.323 ( -3.986 15.020 -18.140) 23.887 22.585 ( 2.251 5.862 -0.927) 6.347 22.687 ( 4.382 6.142 -5.493) 9.333 23.632 ( -21.346 -1.724 1.907) 21.500 24.185 ( 8.871 -2.935 7.150) 11.766 24.534 ( -5.647 -2.289 2.876) 6.738 24.879 ( -2.219 6.818 2.542) 7.607 24.963 ( -2.213 -2.086 9.639) 10.107 25.305 ( 15.171 -2.666 -9.278) 17.982 25.608 ( 3.794 1.447 -5.057) 6.486 25.852 ( -4.260 5.992 7.386) 10.421 26.396 ( 3.345 5.226 -5.178) 8.082 26.941 ( 3.856 0.426 13.842) 14.375 27.651 ( -1.111 3.289 -9.367) 9.989 28.104 ( -1.008 -5.497 3.656) 6.678 34.328 ( -2.970 -0.904 3.294) 4.526 34.498 ( 3.690 0.582 -1.049) 3.880 34.938 ( -1.833 -1.069 -1.556) 2.632======================= Grid point 375 (137/189) =======================q-point: ( 0.67 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 868Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.002 ( -3.658 -18.534 5.486) 19.672 10.298 ( 3.863 -2.293 -14.615) 15.290 10.474 ( 16.701 8.446 2.049) 18.827 11.315 ( -8.022 19.981 -10.572) 23.987 11.360 ( -7.796 6.475 23.737) 25.810 12.448 ( -13.800 -2.670 -20.142) 24.562 16.733 ( 3.481 -0.217 -0.065) 3.488 16.789 ( 4.292 -7.078 2.329) 8.598 17.005 ( 0.874 -3.556 1.529) 3.968 17.085 ( -1.282 -12.044 5.079) 13.134 17.837 ( -1.254 -9.243 5.617) 10.889 18.042 ( -5.545 -10.777 1.302) 12.190 18.462 ( 24.177 -8.965 15.375) 30.021 19.201 ( -13.028 0.330 -1.589) 13.129 19.891 ( 3.346 22.194 22.173) 31.551 20.046 ( -1.885 -0.725 -0.613) 2.110 20.541 ( 5.270 -18.111 -14.464) 23.770 21.663 ( -19.070 -0.233 -20.529) 28.021 22.305 ( -2.034 9.169 -9.843) 13.605 22.675 ( 3.113 4.702 -1.216) 5.769 22.816 ( 5.663 3.829 1.610) 7.023 23.304 ( -13.946 2.153 -5.042) 14.985 24.305 ( 3.878 -2.947 5.095) 7.049 24.429 ( -4.300 -2.661 0.190) 5.060 24.904 ( -3.037 4.227 2.045) 5.592 24.960 ( -2.951 -4.891 13.022) 14.220 25.408 ( 7.896 -4.402 -13.821) 16.515 25.701 ( 6.380 4.418 -1.782) 7.962 25.907 ( 0.101 4.825 6.335) 7.964 26.477 ( 4.011 3.660 -3.539) 6.481 27.106 ( 5.290 -1.609 12.413) 13.588 27.591 ( -1.956 3.288 -9.535) 10.274 28.058 ( -1.649 -3.697 2.980) 5.027 34.271 ( -3.268 -2.458 1.280) 4.285 34.568 ( 4.601 0.434 -1.152) 4.763 34.881 ( -3.259 -0.169 -0.392) 3.287======================= Grid point 376 (138/189) =======================q-point: (-0.25 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.892 ( 1.379 -2.731 2.252) 3.799 10.110 ( -4.208 -15.266 -11.916) 19.818 10.689 ( 3.997 -20.425 0.850) 20.830 11.319 ( -5.556 21.027 -3.632) 22.050 11.436 ( -4.995 7.803 11.935) 15.109 12.246 ( 1.831 10.547 -6.424) 12.484 16.574 ( -5.489 -6.777 -0.067) 8.721 16.846 ( -2.832 -13.038 1.528) 13.429 17.005 ( 1.244 1.846 0.864) 2.387 17.239 ( 12.555 12.267 -1.708) 17.636 17.829 ( 1.966 -1.303 3.908) 4.564 17.843 ( -1.961 -4.404 0.386) 4.837 18.846 ( 12.894 -6.150 5.745) 15.398 18.952 ( -3.945 -9.096 -1.396) 10.013 19.812 ( -9.382 -20.848 -2.303) 22.977 20.236 ( -7.909 16.308 15.306) 23.723 20.498 ( 5.850 -0.966 -0.858) 5.991 21.302 ( -8.830 9.923 -11.404) 17.507 22.275 ( -1.948 3.746 -7.834) 8.899 22.766 ( 2.216 2.442 0.575) 3.348 22.967 ( 5.887 2.747 5.079) 8.246 23.161 ( -2.802 7.623 -8.838) 12.003 24.285 ( -4.019 -4.914 1.629) 6.554 24.390 ( 1.706 -1.223 -0.029) 2.099 24.857 ( -3.250 -0.708 -0.240) 3.335 24.991 ( -1.613 -3.363 16.513) 16.929 25.291 ( -2.267 -7.018 -14.637) 16.390 25.878 ( 7.086 6.647 0.562) 9.732 26.013 ( 3.179 3.178 2.114) 4.967 26.548 ( 2.861 2.709 -2.264) 4.544 27.219 ( 2.115 -4.974 8.137) 9.769 27.554 ( 0.207 5.915 -6.684) 8.928 28.013 ( -1.758 -2.589 1.643) 3.534 34.191 ( -2.963 -3.674 0.073) 4.721 34.644 ( 4.604 0.475 -1.286) 4.804 34.821 ( -3.871 0.272 0.679) 3.939======================= Grid point 377 (139/189) =======================q-point: (-0.17 0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.038 ( 7.915 13.710 -0.000) 15.831 9.752 ( -11.474 -19.873 -0.000) 22.947 10.188 ( -21.084 -36.519 -0.000) 42.169 11.507 ( 2.438 4.222 -0.000) 4.875 11.538 ( 7.681 13.303 0.000) 15.361 12.583 ( 14.248 24.679 0.000) 28.497 16.459 ( -1.985 -3.438 -0.000) 3.970 16.648 ( -5.600 -9.699 -0.000) 11.200 17.035 ( 0.057 0.099 -0.000) 0.114 17.388 ( -0.357 -0.618 -0.000) 0.714 17.680 ( -2.149 -3.723 -0.000) 4.299 18.305 ( 19.512 33.796 0.000) 39.024 18.622 ( -11.949 -20.697 -0.000) 23.899 18.860 ( -10.071 -17.443 0.000) 20.141 19.552 ( -0.367 -0.635 -0.000) 0.733 20.221 ( -0.535 -0.927 0.000) 1.070 20.605 ( 3.245 5.621 -0.000) 6.491 21.410 ( 6.071 10.515 0.000) 12.141 22.233 ( -0.846 -1.465 -0.000) 1.692 22.754 ( -2.112 -3.659 -0.000) 4.225 23.163 ( 6.169 10.685 -0.000) 12.338 23.222 ( 4.002 6.931 0.000) 8.004 24.162 ( -3.728 -6.457 -0.000) 7.456 24.400 ( -0.032 -0.055 -0.000) 0.063 24.803 ( -1.735 -3.004 0.000) 3.469 25.022 ( -1.377 -2.385 -0.000) 2.754 25.060 ( -4.833 -8.372 0.000) 9.667 26.040 ( 3.448 5.972 -0.000) 6.896 26.084 ( 1.104 1.912 -0.000) 2.208 26.605 ( 1.694 2.934 -0.000) 3.388 27.176 ( -3.092 -5.355 -0.000) 6.184 27.639 ( 3.866 6.696 -0.000) 7.732 27.971 ( -1.133 -1.962 -0.000) 2.265 34.105 ( -2.450 -4.243 -0.000) 4.900 34.712 ( 1.436 2.487 -0.000) 2.872 34.769 ( -0.946 -1.638 0.000) 1.891======================= Grid point 387 (140/189) =======================q-point: ( 0.58 0.58 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.092 ( -0.000 -24.663 11.078) 27.037 10.057 ( -0.000 1.765 -18.139) 18.224 10.267 ( 0.000 6.863 0.827) 6.912 11.450 ( 0.000 21.693 -11.244) 24.434 11.577 ( 0.000 16.488 25.417) 30.296 12.734 ( -0.000 -2.779 -35.379) 35.488 16.457 ( -0.000 -10.299 2.642) 10.632 16.942 ( -0.000 -7.927 9.161) 12.114 16.945 ( -0.000 -8.998 -1.054) 9.060 17.220 ( 0.000 -8.320 13.929) 16.224 17.655 ( 0.000 -15.518 26.756) 30.930 18.058 ( -0.000 -12.306 5.117) 13.328 18.186 ( -0.000 -6.732 -4.652) 8.184 19.579 ( -0.000 -4.125 -5.433) 6.822 19.679 ( 0.000 27.944 18.276) 33.390 20.078 ( 0.000 7.142 0.706) 7.177 20.451 ( -0.000 -22.097 -12.717) 25.495 21.927 ( -0.000 -0.115 -22.380) 22.380 22.353 ( -0.000 10.523 -20.658) 23.183 22.628 ( 0.000 4.842 2.050) 5.258 22.696 ( 0.000 7.146 0.621) 7.173 23.954 ( -0.000 -4.949 4.272) 6.538 24.014 ( 0.000 1.445 3.810) 4.075 24.606 ( 0.000 -1.938 4.085) 4.521 24.979 ( 0.000 6.149 -0.964) 6.224 25.006 ( -0.000 -0.851 -16.047) 16.069 25.042 ( 0.000 -6.918 13.925) 15.548 25.550 ( -0.000 1.056 -3.736) 3.882 25.996 ( 0.000 4.489 7.599) 8.826 26.371 ( 0.000 2.887 -4.390) 5.255 26.998 ( 0.000 -0.962 13.714) 13.748 27.628 ( -0.000 2.899 -9.451) 9.886 28.092 ( -0.000 -3.724 3.780) 5.306 34.378 ( 0.000 -1.900 3.855) 4.298 34.436 ( -0.000 -0.516 -3.830) 3.864 34.942 ( -0.000 0.401 -0.985) 1.064======================= Grid point 388 (141/189) =======================q-point: (-0.33 -0.42 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.914 ( -1.403 -18.381 6.223) 19.456 9.939 ( 6.396 -13.571 -21.505) 26.221 10.380 ( 5.963 4.036 1.762) 7.412 11.585 ( -6.133 22.455 -1.404) 23.320 11.829 ( -6.628 14.118 25.023) 29.485 12.379 ( -6.717 -4.279 -37.829) 38.658 16.507 ( 13.817 -3.350 0.500) 14.226 16.777 ( -5.805 -8.296 -0.879) 10.163 16.952 ( 3.214 -9.537 5.139) 11.300 17.202 ( -9.592 1.798 18.597) 21.002 17.770 ( 4.151 -8.947 12.941) 16.272 17.990 ( -2.402 -10.443 -6.008) 12.285 18.147 ( 13.231 -7.638 12.514) 19.748 19.373 ( -11.798 -4.374 -6.940) 14.370 19.965 ( 1.480 -13.417 0.179) 13.500 20.227 ( 5.949 13.188 9.320) 17.210 20.305 ( 0.248 11.292 6.930) 13.251 21.748 ( -6.713 8.587 -29.078) 31.053 22.304 ( 0.152 4.835 -14.934) 15.698 22.691 ( 0.678 3.737 2.768) 4.699 22.818 ( 3.279 6.672 4.709) 8.800 23.626 ( -22.263 -0.597 0.163) 22.271 24.212 ( 7.979 -1.081 3.349) 8.721 24.509 ( -7.588 -2.183 -0.523) 7.913 24.985 ( 1.338 1.108 -3.817) 4.194 25.013 ( 2.537 -2.155 -1.521) 3.660 25.087 ( 6.289 -7.060 1.753) 9.616 25.611 ( 6.191 3.796 -0.907) 7.318 26.036 ( -3.896 2.518 6.447) 7.942 26.405 ( 4.374 0.786 -2.839) 5.273 27.097 ( 2.950 -2.798 12.763) 13.395 27.587 ( -0.988 3.541 -8.959) 9.684 28.076 ( -1.276 -2.230 3.186) 4.093 34.311 ( -4.048 -2.877 -0.215) 4.971 34.469 ( 4.971 -1.643 -1.690) 5.502 34.933 ( -1.868 1.814 -0.194) 2.611======================= Grid point 389 (142/189) =======================q-point: (-0.25 -0.42 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.815 ( 4.009 -8.770 0.519) 9.657 9.695 ( 7.239 -28.719 -22.163) 36.992 10.500 ( 2.980 -7.894 6.297) 10.529 11.596 ( -11.532 11.188 -6.520) 17.341 11.883 ( -17.470 9.175 8.564) 21.510 12.204 ( 8.495 16.986 -7.651) 20.475 16.589 ( -5.327 -6.214 -3.492) 8.898 16.731 ( 7.565 -6.747 1.428) 10.237 17.036 ( 14.114 -1.256 4.448) 14.851 17.206 ( -8.391 8.167 14.881) 18.935 17.762 ( -2.447 -11.935 -1.246) 12.247 17.828 ( 2.658 3.810 -1.877) 5.010 18.483 ( 18.985 -9.486 13.181) 24.983 19.034 ( -13.798 -8.023 -7.848) 17.786 19.726 ( -4.140 -18.955 0.917) 19.423 20.386 ( 1.835 10.212 -1.886) 10.545 20.717 ( 1.266 22.518 22.368) 31.764 21.481 ( -12.840 12.027 -25.747) 31.183 22.243 ( -0.064 -0.328 -11.319) 11.324 22.772 ( 1.797 3.401 3.193) 4.999 22.985 ( 3.679 6.310 8.749) 11.397 23.300 ( -13.197 2.641 -3.911) 14.015 24.307 ( 1.525 -2.409 2.948) 4.101 24.359 ( -3.959 -2.211 -3.276) 5.594 24.917 ( -4.200 -1.673 -0.097) 4.522 25.035 ( 3.433 -2.317 -11.220) 11.960 25.104 ( 2.207 -8.829 5.629) 10.701 25.795 ( 9.115 4.466 1.497) 10.261 26.046 ( -0.845 1.454 4.866) 5.149 26.474 ( 5.098 -0.691 -2.108) 5.560 27.185 ( 2.441 -5.315 9.138) 10.849 27.567 ( 0.005 5.950 -6.114) 8.531 28.045 ( -2.419 -1.300 2.028) 3.414 34.206 ( -3.567 -3.756 -1.292) 5.338 34.528 ( 5.609 -2.642 -1.862) 6.474 34.913 ( -3.482 3.081 0.711) 4.704======================= Grid point 400 (143/189) =======================q-point: (-0.33 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.749 ( -0.000 -20.861 0.008) 20.862 9.549 ( -0.000 -27.794 -21.096) 34.893 10.407 ( 0.000 9.129 3.089) 9.638 11.913 ( 0.000 25.926 7.310) 26.937 11.973 ( -0.000 -2.096 -26.712) 26.794 12.279 ( 0.000 3.794 6.596) 7.609 16.342 ( -0.000 -1.083 -0.184) 1.099 16.760 ( -0.000 -4.876 -6.300) 7.966 16.826 ( -0.000 -12.108 5.944) 13.489 17.498 ( 0.000 4.577 16.478) 17.102 17.737 ( -0.000 -6.282 9.606) 11.478 17.958 ( 0.000 -5.081 14.214) 15.095 17.982 ( -0.000 -2.615 -0.276) 2.630 19.388 ( -0.000 -5.546 -8.343) 10.018 19.706 ( -0.000 -24.317 -1.931) 24.394 20.333 ( 0.000 12.202 6.875) 14.005 20.634 ( 0.000 25.941 17.645) 31.373 21.713 ( -0.000 15.620 -33.593) 37.047 22.231 ( -0.000 0.937 -12.789) 12.823 22.746 ( 0.000 2.538 4.864) 5.486 22.895 ( 0.000 7.190 7.250) 10.211 23.888 ( -0.000 -5.668 0.409) 5.683 24.098 ( 0.000 4.041 0.912) 4.143 24.621 ( 0.000 -0.708 1.710) 1.850 24.662 ( -0.000 -5.905 -21.332) 22.134 25.010 ( -0.000 -1.581 -3.293) 3.653 25.102 ( 0.000 -7.166 15.136) 16.747 25.593 ( 0.000 5.094 -0.155) 5.097 26.139 ( 0.000 0.984 5.760) 5.843 26.324 ( -0.000 -3.320 -2.674) 4.263 27.121 ( 0.000 -4.325 12.085) 12.836 27.580 ( 0.000 4.804 -7.499) 8.906 28.092 ( 0.000 -1.184 2.778) 3.020 34.342 ( -0.000 -1.830 -6.503) 6.755 34.356 ( -0.000 -4.695 2.897) 5.517 34.974 ( 0.000 3.302 0.183) 3.307======================= Grid point 401 (144/189) =======================q-point: (-0.25 -0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.545 ( 5.979 -23.066 -7.747) 25.057 9.092 ( 4.674 -41.901 -23.277) 48.159 10.562 ( -1.583 12.285 9.551) 15.641 11.570 ( -4.717 -19.899 -33.093) 38.902 12.221 ( -3.461 21.829 12.106) 25.200 12.438 ( -2.950 21.059 15.638) 26.396 16.482 ( 12.516 -0.416 -0.378) 12.529 16.604 ( -4.818 -3.017 -5.642) 8.009 16.833 ( 7.651 -7.235 3.360) 11.054 17.483 ( -6.485 -1.726 -0.330) 6.719 17.711 ( 0.199 -6.545 2.572) 7.035 17.905 ( -7.231 9.350 11.694) 16.627 18.266 ( 11.653 0.574 13.570) 17.896 19.129 ( -13.151 -8.531 -7.305) 17.294 19.576 ( 5.262 -14.467 6.281) 16.627 20.507 ( -0.180 13.064 6.048) 14.398 21.013 ( 3.549 21.198 14.879) 26.141 21.611 ( -6.581 20.089 -32.843) 39.058 22.152 ( -0.359 -3.105 -8.931) 9.463 22.810 ( 0.822 2.436 5.464) 6.039 23.054 ( 3.190 7.662 9.464) 12.588 23.579 ( -19.562 -3.210 -3.571) 20.143 24.240 ( 5.949 0.895 1.232) 6.141 24.397 ( -5.549 -3.556 -9.299) 11.397 24.735 ( 9.482 -3.866 -12.561) 16.206 24.939 ( -1.845 -4.249 -1.256) 4.799 25.126 ( -0.508 -6.070 12.355) 13.774 25.699 ( 6.569 2.970 1.017) 7.281 26.118 ( -3.683 -1.045 3.973) 5.517 26.338 ( 6.154 -4.748 -1.307) 7.882 27.158 ( 1.368 -5.792 9.061) 10.841 27.594 ( 0.017 6.610 -4.392) 7.937 28.086 ( -1.616 -0.489 1.882) 2.528 34.220 ( -3.926 -3.659 -3.273) 6.286 34.388 ( 5.099 -4.392 -1.278) 6.850 35.000 ( -1.785 4.426 0.662) 4.818======================= Grid point 413 (145/189) =======================q-point: (-0.25 -0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.110 ( -0.000 -35.279 -15.559) 38.558 8.407 ( -0.000 -54.157 -25.574) 59.892 10.872 ( 0.000 28.441 12.628) 31.118 11.063 ( -0.000 -44.810 -29.023) 53.388 12.598 ( 0.000 25.256 17.909) 30.961 12.772 ( 0.000 23.251 13.544) 26.908 16.393 ( 0.000 3.308 -0.398) 3.332 16.615 ( -0.000 1.166 -8.494) 8.573 16.688 ( -0.000 -5.537 3.247) 6.419 17.459 ( -0.000 -1.529 -12.601) 12.693 17.639 ( -0.000 -6.804 1.698) 7.013 18.184 ( 0.000 8.553 1.701) 8.721 18.306 ( 0.000 6.640 18.231) 19.402 19.234 ( 0.000 -0.403 4.605) 4.623 19.402 ( -0.000 -10.604 14.322) 17.820 20.694 ( 0.000 13.516 7.939) 15.675 21.221 ( 0.000 14.218 4.423) 14.890 21.669 ( 0.000 24.199 -30.741) 39.123 22.098 ( -0.000 -0.816 -3.552) 3.645 22.858 ( 0.000 0.845 6.323) 6.379 23.173 ( 0.000 8.850 10.576) 13.790 23.673 ( -0.000 -9.879 -12.854) 16.211 24.189 ( 0.000 3.960 0.267) 3.969 24.293 ( -0.000 -4.003 -14.632) 15.169 24.616 ( -0.000 -0.624 -0.572) 0.847 24.881 ( -0.000 -6.689 -2.444) 7.121 25.149 ( 0.000 -7.600 13.516) 15.506 25.659 ( -0.000 0.476 -1.392) 1.471 26.153 ( -0.000 -11.128 -2.025) 11.311 26.214 ( 0.000 0.885 4.229) 4.321 27.143 ( -0.000 -6.370 7.512) 9.849 27.641 ( 0.000 7.284 -1.819) 7.507 28.109 ( 0.000 0.068 1.267) 1.269 34.201 ( -0.000 -2.624 -7.684) 8.120 34.279 ( -0.000 -6.493 2.496) 6.956 35.068 ( 0.000 5.336 0.699) 5.382======================= Grid point 480 (146/189) =======================q-point: ( 0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.310 ( 0.000 -0.000 79.584) 79.584 5.310 ( 0.000 -0.000 79.584) 79.584 8.843 ( 0.000 -0.000 131.921) 131.921 12.475 ( -0.000 0.000 -30.027) 30.027 12.639 ( -0.000 0.000 -55.885) 55.885 12.639 ( -0.000 0.000 -55.885) 55.885 17.128 ( 0.000 -0.000 36.001) 36.001 17.618 ( -0.000 0.000 -10.366) 10.366 17.618 ( -0.000 0.000 -10.366) 10.366 18.153 ( 0.000 -0.000 10.258) 10.258 18.153 ( 0.000 -0.000 10.258) 10.258 18.660 ( 0.000 -0.000 11.420) 11.420 18.660 ( 0.000 -0.000 11.420) 11.420 19.515 ( -0.000 0.000 -14.516) 14.516 19.515 ( -0.000 0.000 -14.516) 14.516 20.936 ( -0.000 0.000 -1.716) 1.716 21.028 ( -0.000 0.000 -19.164) 19.164 22.247 ( -0.000 0.000 -46.343) 46.343 22.504 ( -0.000 0.000 -9.954) 9.954 22.504 ( -0.000 0.000 -9.954) 9.954 23.668 ( 0.000 -0.000 22.128) 22.128 23.668 ( 0.000 -0.000 22.128) 22.128 24.036 ( 0.000 -0.000 0.563) 0.563 24.468 ( 0.000 -0.000 5.918) 5.918 24.468 ( 0.000 -0.000 5.918) 5.918 24.601 ( 0.000 -0.000 0.439) 0.439 25.053 ( 0.000 -0.000 9.535) 9.535 25.053 ( 0.000 -0.000 9.535) 9.535 25.863 ( 0.000 -0.000 21.329) 21.329 26.003 ( -0.000 0.000 -14.108) 14.108 26.003 ( -0.000 0.000 -14.108) 14.108 27.811 ( -0.000 0.000 -9.490) 9.490 28.497 ( 0.000 -0.000 3.521) 3.521 34.139 ( 0.000 -0.000 6.756) 6.756 34.139 ( 0.000 -0.000 6.756) 6.756 35.300 ( -0.000 0.000 -5.423) 5.423======================= Grid point 481 (147/189) =======================q-point: ( 0.33 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 5.890 ( 11.096 6.406 75.309) 76.391 6.245 ( 28.879 16.673 70.138) 77.662 9.875 ( 14.709 8.492 118.453) 119.664 12.057 ( -16.003 -9.239 -30.086) 35.308 12.115 ( -7.918 -4.572 -51.839) 52.639 12.456 ( 7.406 4.276 -54.862) 55.525 17.315 ( -4.074 -2.352 34.344) 34.665 17.373 ( -6.660 -3.845 -14.820) 16.696 17.658 ( 2.609 1.507 -8.340) 8.867 18.112 ( -6.296 -3.635 9.954) 12.326 18.143 ( -9.099 -5.253 7.403) 12.853 18.622 ( -6.065 -3.502 4.129) 8.130 18.761 ( 1.542 0.890 6.112) 6.366 19.345 ( -6.896 -3.981 -0.475) 7.977 19.464 ( 0.255 0.147 -9.892) 9.897 20.866 ( -2.518 -1.454 -20.293) 20.500 21.014 ( 7.163 4.136 -1.121) 8.347 21.883 ( -3.933 -2.271 -41.108) 41.358 22.484 ( 5.063 2.923 -16.566) 17.567 22.490 ( 3.234 1.867 -9.332) 10.051 23.757 ( -8.591 -4.960 17.279) 19.924 23.757 ( -3.327 -1.921 22.791) 23.112 24.104 ( 5.048 2.915 0.620) 5.862 24.433 ( -6.921 -3.996 2.252) 8.302 24.481 ( -0.957 -0.552 5.672) 5.779 24.587 ( 0.065 0.037 4.990) 4.990 25.144 ( 2.117 1.222 6.504) 6.948 25.165 ( 5.394 3.114 8.905) 10.867 25.888 ( -0.733 -0.423 -14.497) 14.522 26.032 ( 7.441 4.296 -3.271) 9.194 26.064 ( 6.552 3.783 10.798) 13.184 27.751 ( 0.503 0.291 -9.752) 9.769 28.484 ( -2.989 -1.726 3.280) 4.762 34.134 ( -1.983 -1.145 6.814) 7.189 34.250 ( 3.512 2.028 6.096) 7.322 35.244 ( -1.760 -1.016 -5.210) 5.592======================= Grid point 482 (148/189) =======================q-point: ( 0.42 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.763 ( 22.715 13.114 66.863) 71.824 7.444 ( 37.116 21.429 57.394) 71.630 10.952 ( 14.666 8.468 89.952) 91.532 11.366 ( -28.286 -16.331 -25.722) 41.574 11.627 ( -4.961 -2.864 -43.613) 43.987 12.247 ( 7.743 4.470 -56.646) 57.347 17.192 ( -1.469 -0.848 -5.325) 5.589 17.396 ( -8.017 -4.629 27.918) 29.413 17.615 ( -3.086 -1.782 -2.268) 4.224 17.884 ( -16.623 -9.597 6.582) 20.291 17.988 ( -10.426 -6.020 10.048) 15.681 18.472 ( -5.183 -2.993 -5.683) 8.253 18.810 ( 1.384 0.799 0.430) 1.655 19.187 ( -9.103 -5.256 5.599) 11.910 19.420 ( 0.345 0.199 -5.214) 5.229 20.657 ( -3.368 -1.944 -21.027) 21.383 21.206 ( 9.320 5.381 -2.315) 11.008 21.542 ( -3.008 -1.736 -35.894) 36.062 22.508 ( 6.270 3.620 -14.414) 16.130 22.528 ( 5.183 2.992 -8.075) 10.051 23.439 ( -25.186 -14.541 7.138) 29.946 23.829 ( -3.783 -2.184 23.343) 23.748 24.235 ( 4.743 2.738 1.996) 5.829 24.304 ( -4.544 -2.623 0.984) 5.338 24.512 ( 0.996 0.575 5.005) 5.135 24.641 ( 0.699 0.404 5.478) 5.537 25.242 ( 2.849 1.645 5.150) 6.111 25.381 ( 8.140 4.700 5.269) 10.775 25.794 ( 0.939 0.542 -11.922) 11.971 26.196 ( 10.544 6.088 -10.132) 15.839 26.344 ( 8.918 5.149 17.442) 20.255 27.705 ( 1.135 0.656 -9.740) 9.828 28.414 ( -4.810 -2.777 2.977) 6.301 34.139 ( -1.637 -0.945 6.991) 7.242 34.374 ( 4.114 2.375 4.600) 6.613 35.152 ( -3.369 -1.945 -4.669) 6.077======================= Grid point 483 (149/189) =======================q-point: ( 0.50 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.762 ( 27.640 15.958 57.269) 65.562 8.628 ( 36.546 21.100 41.759) 59.369 10.455 ( -36.313 -20.965 -23.126) 47.885 11.112 ( -15.132 -8.736 -2.756) 17.689 11.856 ( 18.473 10.665 25.034) 32.889 12.082 ( 10.420 6.016 -53.932) 55.258 17.221 ( -17.163 -9.909 6.492) 20.854 17.278 ( 3.729 2.153 13.659) 14.322 17.535 ( -15.298 -8.832 10.792) 20.700 17.558 ( -5.571 -3.216 15.598) 16.872 17.795 ( -11.975 -6.914 9.880) 16.995 18.357 ( 0.656 0.379 -12.688) 12.710 18.857 ( 3.583 2.068 -3.616) 5.494 18.985 ( -11.380 -6.570 5.898) 14.403 19.402 ( 0.295 0.171 -3.131) 3.150 20.457 ( -1.470 -0.849 -20.311) 20.382 21.178 ( 0.025 0.014 -38.904) 38.904 21.473 ( 6.096 3.520 4.327) 8.262 22.525 ( -6.356 -3.669 -2.526) 7.761 22.612 ( 6.285 3.629 -6.667) 9.855 22.853 ( -18.425 -10.638 -5.955) 22.094 23.891 ( -4.500 -2.598 22.846) 23.430 24.223 ( -2.697 -1.557 -1.326) 3.385 24.314 ( -0.201 -0.116 5.802) 5.806 24.610 ( 5.276 3.046 2.616) 6.630 24.680 ( 0.215 0.124 3.133) 3.143 25.326 ( 1.539 0.889 4.154) 4.518 25.520 ( 3.347 1.932 -5.894) 7.048 25.834 ( 6.887 3.976 -0.986) 8.013 26.353 ( 8.756 5.055 -9.970) 14.199 26.676 ( 9.999 5.773 15.600) 19.408 27.666 ( 1.020 0.589 -10.025) 10.094 28.315 ( -5.235 -3.022 2.487) 6.536 34.152 ( -1.427 -0.824 7.229) 7.415 34.493 ( 4.160 2.402 2.378) 5.360 35.033 ( -4.451 -2.570 -3.599) 6.275======================= Grid point 484 (150/189) =======================q-point: ( 0.58 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.727 ( 23.471 13.551 47.204) 54.431 9.478 ( -33.203 -19.169 -20.394) 43.426 9.598 ( 30.094 17.375 12.458) 36.915 10.759 ( -20.452 -11.808 25.536) 34.782 12.014 ( 13.573 7.837 -47.962) 50.458 12.297 ( 14.940 8.625 -4.119) 17.736 16.819 ( -18.205 -10.511 1.267) 21.060 17.082 ( -16.678 -9.629 5.186) 19.944 17.490 ( -9.536 -5.506 6.803) 12.943 17.598 ( -10.940 -6.316 16.416) 20.714 17.733 ( 6.209 3.585 33.669) 34.424 18.319 ( 4.299 2.482 -17.080) 17.787 18.691 ( -11.745 -6.781 -3.362) 13.973 19.039 ( 10.244 5.914 6.500) 13.497 19.384 ( -0.357 -0.206 -2.403) 2.438 20.341 ( 2.642 1.526 -17.329) 17.595 20.948 ( 3.491 2.016 -37.013) 37.232 21.558 ( -9.714 -5.608 8.556) 14.107 22.024 ( -19.499 -11.258 3.374) 22.767 22.715 ( 6.147 3.549 -5.629) 9.059 22.808 ( 8.703 5.025 -11.199) 15.047 23.916 ( -6.249 -3.608 20.496) 21.729 24.162 ( -1.043 -0.602 -3.773) 3.961 24.320 ( -3.075 -1.775 8.507) 9.218 24.694 ( -0.287 -0.166 1.164) 1.210 24.762 ( 6.130 3.539 2.022) 7.361 25.363 ( -0.086 -0.050 2.333) 2.335 25.522 ( 2.195 1.267 -7.739) 8.143 26.015 ( 7.169 4.139 1.972) 8.510 26.449 ( 5.117 2.955 -9.417) 11.117 26.985 ( 8.353 4.823 13.040) 16.220 27.610 ( -0.051 -0.030 -10.711) 10.711 28.219 ( -4.135 -2.387 1.720) 5.075 34.169 ( -1.416 -0.817 7.464) 7.641 34.581 ( 2.608 1.506 -1.235) 3.255 34.917 ( -3.665 -2.116 -1.052) 4.361======================= Grid point 485 (151/189) =======================q-point: ( 0.67 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.482 ( -33.737 -19.478 -7.746) 39.718 9.668 ( 25.344 14.632 27.328) 40.040 9.843 ( -11.548 -6.667 -13.260) 18.805 10.807 ( 4.510 2.604 52.653) 52.910 12.066 ( 16.807 9.704 -39.524) 44.031 12.521 ( 10.512 6.069 -15.307) 19.536 16.479 ( -11.061 -6.386 0.118) 12.772 16.781 ( -12.398 -7.158 6.331) 15.653 17.229 ( -13.058 -7.539 -0.662) 15.092 17.511 ( -7.961 -4.596 16.760) 19.115 17.919 ( -4.852 -2.801 15.619) 16.594 18.310 ( 5.530 3.193 -19.789) 20.794 18.396 ( -12.090 -6.980 -2.183) 14.130 19.347 ( -1.445 -0.834 -2.675) 3.152 19.471 ( 17.542 10.128 16.402) 26.064 20.355 ( 7.324 4.228 -12.756) 15.305 20.880 ( 9.671 5.583 -28.401) 30.518 21.080 ( -24.191 -13.967 10.045) 29.684 21.974 ( 2.896 1.672 6.068) 6.929 22.806 ( 4.832 2.790 -5.281) 7.682 22.942 ( 8.519 4.918 -9.227) 13.487 23.877 ( -8.010 -4.625 16.855) 19.226 24.129 ( 0.719 0.415 -4.685) 4.758 24.300 ( -4.045 -2.335 10.714) 11.688 24.680 ( -1.146 -0.662 -0.318) 1.361 24.893 ( 3.534 2.040 2.816) 4.958 25.357 ( -1.020 -0.589 -0.341) 1.227 25.543 ( 3.387 1.956 -4.778) 6.175 26.155 ( 4.192 2.420 0.521) 4.868 26.451 ( 0.023 0.013 -7.913) 7.913 27.219 ( 4.935 2.849 10.524) 11.968 27.523 ( -0.622 -0.359 -11.655) 11.677 28.155 ( -2.232 -1.289 0.698) 2.670 34.185 ( -1.597 -0.922 7.641) 7.860 34.560 ( -2.692 -1.554 -4.931) 5.829 34.891 ( 1.274 0.736 1.869) 2.378======================= Grid point 486 (152/189) =======================q-point: (-0.25 0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.733 ( -29.705 -17.150 0.527) 34.304 9.242 ( -36.195 -20.897 10.459) 43.083 10.348 ( 22.977 13.266 10.282) 28.455 11.259 ( 2.880 1.663 31.177) 31.354 12.262 ( 20.224 11.676 -28.036) 36.488 12.582 ( 5.071 2.927 -12.627) 13.918 16.342 ( -0.930 -0.537 -0.279) 1.109 16.617 ( -5.970 -3.447 7.693) 10.330 16.927 ( -11.729 -6.772 -3.661) 14.030 17.454 ( -5.742 -3.315 14.373) 15.829 17.812 ( -7.207 -4.161 -0.660) 8.348 18.161 ( -5.369 -3.100 -1.518) 6.382 18.305 ( 5.795 3.346 -20.462) 21.529 19.288 ( -1.740 -1.004 -3.484) 4.021 19.696 ( -6.584 -3.802 -1.501) 7.750 20.492 ( 10.593 6.116 -9.060) 15.222 20.949 ( 8.601 4.966 11.121) 14.910 21.074 ( 15.423 8.904 1.767) 17.896 22.069 ( 1.155 0.667 6.071) 6.215 22.858 ( 2.798 1.616 -5.600) 6.465 23.065 ( 7.644 4.413 -9.083) 12.665 23.784 ( -8.772 -5.065 13.739) 17.069 24.136 ( 2.286 1.320 -3.408) 4.310 24.286 ( -4.056 -2.342 13.171) 13.979 24.643 ( -1.494 -0.862 -0.810) 1.905 24.943 ( -1.186 -0.685 3.204) 3.484 25.305 ( -2.457 -1.418 -4.957) 5.712 25.606 ( 3.676 2.122 -1.736) 4.585 26.213 ( 1.416 0.818 -1.575) 2.270 26.344 ( -5.674 -3.276 -4.550) 7.977 27.286 ( -3.350 -1.934 -0.572) 3.910 27.503 ( 5.118 2.955 -3.471) 6.854 28.123 ( -0.820 -0.473 -0.338) 1.005 34.197 ( -1.912 -1.104 7.722) 8.031 34.429 ( -5.328 -3.076 -4.362) 7.542 34.968 ( 3.946 2.278 0.965) 4.658======================= Grid point 493 (153/189) =======================q-point: ( 0.33 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.495 ( 0.000 22.410 71.108) 74.556 6.598 ( 0.000 20.357 68.301) 71.270 10.649 ( 0.000 13.111 111.020) 111.792 11.735 ( -0.000 -13.324 -41.148) 43.251 11.981 ( -0.000 2.852 -54.047) 54.122 12.022 ( -0.000 -6.411 -35.717) 36.288 17.233 ( -0.000 -10.765 -15.980) 19.268 17.544 ( 0.000 -4.431 33.005) 33.301 17.627 ( 0.000 9.822 -13.042) 16.326 18.102 ( -0.000 -13.355 8.384) 15.769 18.270 ( 0.000 -3.328 5.767) 6.658 18.684 ( -0.000 -4.703 3.551) 5.893 18.685 ( -0.000 -8.743 -2.556) 9.109 19.335 ( -0.000 -11.719 -2.126) 11.910 19.448 ( 0.000 0.233 10.208) 10.210 20.727 ( -0.000 -3.187 -21.010) 21.250 21.005 ( 0.000 8.262 -2.103) 8.526 21.639 ( -0.000 4.994 -44.059) 44.341 22.344 ( -0.000 0.500 -10.694) 10.706 22.460 ( -0.000 7.720 -13.744) 15.763 23.876 ( 0.000 -5.960 20.776) 21.614 23.975 ( 0.000 0.413 18.103) 18.107 24.104 ( 0.000 5.876 0.243) 5.881 24.313 ( -0.000 -20.542 0.998) 20.567 24.611 ( 0.000 0.031 3.361) 3.361 24.618 ( 0.000 4.543 9.300) 10.350 25.146 ( 0.000 -1.337 7.517) 7.635 25.232 ( 0.000 6.419 4.346) 7.752 25.833 ( -0.000 1.149 -14.107) 14.154 25.912 ( 0.000 9.851 -13.237) 16.500 26.186 ( 0.000 4.056 20.289) 20.691 27.685 ( -0.000 1.045 -10.403) 10.456 28.502 ( -0.000 -3.740 2.918) 4.744 34.191 ( 0.000 -1.020 6.536) 6.615 34.278 ( 0.000 2.750 5.617) 6.254 35.212 ( -0.000 -1.701 -4.935) 5.220======================= Grid point 494 (154/189) =======================q-point: ( 0.42 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.170 ( 4.242 24.841 64.765) 69.496 7.535 ( 24.126 25.726 58.139) 68.000 11.287 ( -7.227 -17.835 -30.685) 36.220 11.398 ( 1.713 2.484 15.586) 15.875 11.582 ( -8.831 0.506 13.468) 16.113 11.817 ( 4.531 6.326 -30.756) 31.725 17.061 ( 3.741 -8.623 -8.929) 12.965 17.630 ( -3.430 6.600 -1.708) 7.632 17.668 ( -2.516 -3.531 19.845) 20.313 17.962 ( -5.096 -16.195 7.897) 18.724 18.195 ( -7.683 -4.304 5.704) 10.492 18.414 ( -7.505 -16.122 -5.428) 18.594 18.741 ( 5.139 -3.538 -0.560) 6.264 19.190 ( 0.131 -17.025 2.456) 17.202 19.491 ( -5.344 1.543 11.574) 12.841 20.531 ( -1.884 -3.955 -21.425) 21.868 21.096 ( 4.556 6.360 -13.736) 15.808 21.435 ( -3.127 13.656 -29.298) 32.475 22.339 ( 5.157 2.761 -9.767) 11.385 22.465 ( 2.309 7.593 -12.738) 15.008 23.773 ( -22.031 -12.449 8.829) 26.801 23.939 ( -0.579 -13.097 14.699) 19.696 24.205 ( 2.861 2.284 3.157) 4.834 24.232 ( 5.873 -5.102 4.844) 9.164 24.610 ( -2.597 1.316 4.383) 5.262 24.711 ( -2.572 4.215 8.431) 9.770 25.228 ( 4.435 0.812 6.076) 7.566 25.362 ( 4.769 6.839 2.452) 8.691 25.723 ( -1.662 1.740 -12.887) 13.110 26.030 ( 8.581 9.796 -10.971) 17.028 26.403 ( 4.593 5.074 19.088) 20.278 27.635 ( 0.561 1.918 -10.531) 10.718 28.455 ( -2.394 -5.048 2.621) 6.171 34.209 ( -1.710 -0.231 6.539) 6.763 34.366 ( 2.845 2.394 4.139) 5.564 35.145 ( -1.799 -2.317 -4.361) 5.256======================= Grid point 495 (155/189) =======================q-point: ( 0.50 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.986 ( 14.612 23.948 56.442) 63.029 8.568 ( 26.640 22.274 42.632) 54.985 10.627 ( -25.046 -25.406 -17.673) 39.813 11.112 ( -2.710 3.196 -31.466) 31.743 11.560 ( 11.587 2.081 -48.694) 50.097 12.131 ( -5.664 8.583 48.781) 49.853 17.094 ( 8.372 -11.128 4.827) 14.738 17.564 ( -7.513 -9.126 13.345) 17.827 17.653 ( -8.289 6.378 0.627) 10.478 17.803 ( -7.183 -5.852 14.981) 17.615 17.960 ( -12.086 -10.476 5.182) 16.813 18.175 ( 1.676 -13.138 -5.936) 14.514 18.789 ( 4.262 -0.578 -2.246) 4.852 19.028 ( -1.642 -17.304 2.701) 17.590 19.455 ( -6.933 -0.736 9.829) 12.051 20.323 ( -1.166 -2.872 -20.613) 20.845 20.986 ( -2.238 8.978 -40.630) 41.670 21.500 ( 2.627 13.469 1.125) 13.769 22.431 ( 7.663 4.772 -8.088) 12.120 22.517 ( 3.971 5.819 -9.383) 11.733 23.174 ( -30.433 -18.801 2.010) 35.828 23.883 ( 2.819 -18.763 8.506) 20.793 24.267 ( -0.408 0.359 8.804) 8.821 24.362 ( 3.149 3.782 4.591) 6.730 24.625 ( -0.313 2.297 3.628) 4.306 24.733 ( -3.445 2.233 6.411) 7.613 25.346 ( 1.358 3.778 4.235) 5.835 25.502 ( 1.004 6.920 -5.215) 8.723 25.710 ( 8.326 0.941 -4.156) 9.354 26.202 ( 8.458 7.931 -9.054) 14.711 26.684 ( 7.823 5.182 16.849) 19.286 27.596 ( 0.568 2.305 -10.726) 10.985 28.365 ( -3.707 -5.492 2.202) 6.982 34.222 ( -1.746 -0.087 6.668) 6.893 34.465 ( 3.487 2.230 1.994) 4.594 35.050 ( -3.243 -2.724 -3.376) 5.416======================= Grid point 496 (156/189) =======================q-point: ( 0.58 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.843 ( 19.939 18.032 44.135) 51.678 9.256 ( 7.804 -5.680 11.373) 14.916 9.893 ( -21.171 1.668 -8.303) 22.802 11.037 ( -0.147 2.529 7.614) 8.024 11.501 ( 15.255 4.202 -45.769) 48.427 12.264 ( -5.802 3.257 10.139) 12.127 16.949 ( -9.944 -15.004 2.135) 18.126 17.313 ( -16.362 -12.937 3.319) 21.121 17.556 ( -3.444 -4.506 -0.416) 5.687 17.755 ( -6.776 -13.070 12.788) 19.500 17.980 ( 3.492 9.387 17.276) 19.969 18.086 ( 2.379 -4.380 3.352) 6.007 18.779 ( -4.300 -4.735 -4.584) 7.869 18.932 ( 8.051 -4.569 5.354) 10.694 19.398 ( -3.869 -4.313 10.588) 12.069 20.187 ( 2.291 -0.158 -17.303) 17.455 20.763 ( -2.582 13.396 -42.344) 44.488 21.687 ( 0.505 8.460 7.066) 11.035 22.321 ( -26.900 -19.519 3.366) 33.405 22.576 ( 8.113 3.838 -6.518) 11.092 22.712 ( 1.067 6.681 -10.087) 12.146 23.790 ( 5.702 -21.782 2.919) 22.704 24.306 ( -3.325 3.340 6.086) 7.697 24.438 ( -2.413 0.765 9.680) 10.006 24.699 ( 2.816 1.490 2.602) 4.114 24.748 ( -1.417 3.733 5.287) 6.625 25.393 ( -1.800 2.695 1.408) 3.533 25.504 ( -0.348 5.796 -7.183) 9.236 25.904 ( 10.821 2.256 -0.402) 11.061 26.340 ( 5.880 5.905 -7.623) 11.293 26.975 ( 8.251 4.093 14.042) 16.793 27.548 ( -0.348 1.931 -11.111) 11.283 28.260 ( -3.637 -4.991 1.502) 6.356 34.236 ( -1.549 -0.442 6.737) 6.927 34.546 ( 2.693 1.948 -0.895) 3.442 34.946 ( -3.401 -2.624 -1.465) 4.538======================= Grid point 497 (157/189) =======================q-point: ( 0.67 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.699 ( -23.060 -27.467 -12.264) 37.903 9.593 ( 11.881 12.157 30.603) 35.007 9.973 ( 0.688 20.751 -3.003) 20.979 11.221 ( -3.672 -0.081 48.692) 48.830 11.563 ( 19.481 4.601 -36.428) 41.566 12.254 ( 6.959 1.988 -17.436) 18.879 16.658 ( -11.948 -3.621 0.567) 12.497 16.945 ( -13.918 -11.409 4.469) 18.543 17.357 ( -10.618 -7.956 -2.918) 13.584 17.627 ( -1.668 -8.039 2.294) 8.525 17.972 ( 4.990 -10.120 -9.830) 14.965 18.143 ( -10.749 -2.432 9.001) 14.230 18.629 ( -11.751 5.798 -2.553) 13.350 19.197 ( 10.845 -8.170 10.564) 17.203 19.495 ( 9.569 6.099 24.849) 27.318 20.176 ( 6.643 2.204 -12.435) 14.269 20.648 ( 4.266 15.563 -36.447) 39.860 21.446 ( -28.074 -16.454 8.227) 33.565 22.003 ( 0.935 2.296 6.187) 6.665 22.698 ( 6.366 3.067 -5.550) 8.985 22.823 ( 6.521 8.544 -8.622) 13.779 23.698 ( 7.930 -22.254 0.250) 23.626 24.297 ( -5.394 5.001 1.708) 7.551 24.440 ( -4.175 -1.979 10.878) 11.819 24.730 ( -3.797 1.926 8.008) 9.069 24.853 ( 4.886 2.531 1.804) 5.791 25.363 ( -2.738 0.204 -2.032) 3.415 25.540 ( 1.016 7.343 -3.656) 8.265 26.071 ( 7.367 1.036 -2.176) 7.751 26.411 ( 1.796 4.099 -5.814) 7.337 27.220 ( 6.386 2.287 11.574) 13.416 27.469 ( -1.793 1.251 -11.809) 12.010 28.171 ( -2.269 -3.721 0.445) 4.381 34.248 ( -1.347 -1.300 6.561) 6.823 34.562 ( -1.196 0.956 -3.894) 4.184 34.889 ( -0.212 -1.305 1.111) 1.726======================= Grid point 498 (158/189) =======================q-point: (-0.25 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.025 ( -22.752 -15.340 -5.343) 27.956 9.630 ( -19.802 -8.389 9.120) 23.359 10.301 ( 7.321 16.505 11.195) 21.245 11.492 ( -0.366 -0.919 38.477) 38.490 11.810 ( 23.581 8.777 -17.851) 30.851 12.307 ( 13.206 -3.487 -19.731) 23.997 16.508 ( -10.025 10.147 0.017) 14.264 16.700 ( -6.623 -9.195 5.787) 12.724 17.063 ( -11.917 -4.909 -4.390) 13.616 17.546 ( -0.552 -5.676 -1.731) 5.960 17.884 ( 1.395 -7.177 -8.584) 11.276 17.923 ( -5.153 -8.963 -4.074) 11.112 18.426 ( -14.656 10.156 -9.917) 20.403 19.214 ( 1.587 -13.244 7.653) 15.378 19.838 ( -5.309 -0.271 12.211) 13.318 20.290 ( 11.590 3.512 -5.975) 13.504 20.743 ( 12.858 15.458 -25.945) 32.824 21.139 ( 0.551 -3.000 25.714) 25.894 22.109 ( 0.988 2.215 7.368) 7.757 22.777 ( 4.151 2.030 -5.306) 7.036 22.953 ( 5.768 7.414 -8.281) 12.523 23.628 ( 8.528 -21.143 0.671) 22.808 24.258 ( -5.355 6.255 -1.179) 8.318 24.416 ( -2.538 -5.053 10.136) 11.607 24.732 ( -6.672 4.510 10.365) 13.126 24.946 ( 2.568 -0.863 2.527) 3.705 25.280 ( -2.798 -2.343 -6.164) 7.163 25.622 ( 0.888 8.986 -2.019) 9.252 26.140 ( 3.591 -1.707 -4.057) 5.681 26.405 ( -3.152 2.955 -2.630) 5.058 27.311 ( -3.723 -1.944 -3.648) 5.563 27.440 ( 5.100 3.747 0.771) 6.375 28.116 ( -0.644 -2.438 -0.768) 2.636 34.248 ( -1.134 -2.908 5.693) 6.493 34.484 ( -5.175 0.659 -3.013) 6.024 34.923 ( 3.363 0.163 0.917) 3.489======================= Grid point 506 (159/189) =======================q-point: ( 0.42 0.42 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.838 ( 0.000 20.370 54.420) 58.108 7.963 ( 0.000 36.121 58.450) 68.711 10.974 ( -0.000 -19.852 -25.716) 32.487 11.209 ( -0.000 0.903 -45.712) 45.721 11.377 ( -0.000 -5.169 -38.764) 39.108 12.290 ( 0.000 12.795 70.522) 71.673 16.860 ( -0.000 -8.187 -9.443) 12.497 17.692 ( 0.000 12.002 -6.943) 13.866 17.803 ( 0.000 -11.259 24.132) 26.629 17.876 ( -0.000 -18.495 5.758) 19.371 18.143 ( -0.000 -16.068 2.707) 16.295 18.404 ( -0.000 -10.538 -0.078) 10.538 18.611 ( -0.000 -4.524 1.088) 4.653 19.008 ( -0.000 -22.236 5.597) 22.929 19.642 ( 0.000 1.296 11.080) 11.155 20.360 ( -0.000 -4.944 -20.856) 21.434 20.986 ( -0.000 7.407 -28.313) 29.266 21.497 ( 0.000 21.762 -15.178) 26.532 22.275 ( 0.000 4.677 -6.577) 8.070 22.432 ( -0.000 7.735 -13.131) 15.239 23.730 ( -0.000 -32.618 -1.330) 32.645 24.025 ( 0.000 -7.022 14.814) 16.394 24.117 ( 0.000 -3.869 9.438) 10.200 24.285 ( 0.000 10.536 1.893) 10.705 24.652 ( 0.000 -0.875 3.620) 3.725 24.885 ( 0.000 7.847 9.193) 12.086 25.185 ( -0.000 -3.495 5.726) 6.709 25.401 ( 0.000 7.849 -0.288) 7.854 25.690 ( -0.000 1.879 -10.928) 11.088 25.994 ( 0.000 12.641 -9.347) 15.721 26.539 ( 0.000 4.847 18.558) 19.181 27.585 ( -0.000 3.293 -10.780) 11.272 28.434 ( -0.000 -6.570 2.401) 6.995 34.269 ( 0.000 0.280 6.068) 6.075 34.386 ( 0.000 2.166 2.983) 3.687 35.109 ( -0.000 -2.635 -3.831) 4.650======================= Grid point 507 (160/189) =======================q-point: ( 0.50 0.42 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.398 ( 5.443 17.196 48.290) 51.548 8.792 ( 10.787 30.962 45.927) 56.429 10.546 ( -8.126 -25.123 -15.085) 30.409 10.943 ( 0.889 5.841 -38.232) 38.686 11.124 ( 4.194 5.100 -44.464) 44.952 12.689 ( -10.520 4.472 43.991) 45.452 16.842 ( 9.908 -6.909 -1.098) 12.129 17.580 ( -9.326 -19.876 1.993) 22.045 17.812 ( 1.469 -10.506 3.265) 11.099 17.845 ( 3.228 4.426 12.790) 13.914 17.977 ( -4.549 -19.662 8.491) 21.894 18.211 ( -10.948 -1.946 7.824) 13.597 18.661 ( 5.947 -3.582 -0.084) 6.943 18.848 ( 1.692 -20.632 5.868) 21.517 19.648 ( -6.585 -0.334 7.500) 9.986 20.173 ( -0.614 -3.789 -18.791) 19.179 20.853 ( -0.774 11.242 -38.130) 39.760 21.642 ( -0.005 19.981 -4.111) 20.399 22.335 ( 4.384 6.495 -4.762) 9.169 22.452 ( 3.028 7.221 -10.712) 13.269 23.309 ( -9.391 -33.723 -2.958) 35.131 23.825 ( -13.755 -10.039 8.319) 18.952 24.275 ( 7.273 -3.833 10.368) 13.232 24.400 ( -0.315 9.736 1.388) 9.839 24.661 ( -0.280 -0.210 2.962) 2.983 24.907 ( -6.267 3.161 7.442) 10.230 25.356 ( 11.684 2.179 6.227) 13.418 25.483 ( 2.727 6.230 -3.363) 7.586 25.616 ( -3.220 2.958 -7.807) 8.949 26.116 ( 5.657 10.466 -6.981) 13.794 26.740 ( 4.188 4.228 17.028) 18.038 27.551 ( 0.023 4.118 -10.951) 11.700 28.364 ( -1.852 -7.110 2.168) 7.660 34.295 ( -1.692 0.412 5.761) 6.019 34.445 ( 2.517 1.821 1.244) 3.346 35.044 ( -1.694 -2.792 -3.033) 4.457======================= Grid point 508 (161/189) =======================q-point: ( 0.58 0.42 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.878 ( 6.403 -8.435 26.376) 28.423 9.422 ( 3.207 22.260 29.850) 37.374 10.126 ( -10.084 -2.082 -3.859) 10.996 10.959 ( 11.246 13.235 -13.109) 21.760 11.025 ( 10.364 6.640 -41.038) 42.844 12.619 ( -19.020 -3.372 16.036) 25.106 16.905 ( 2.172 -10.251 1.550) 10.593 17.271 ( -1.368 -15.157 -6.423) 16.518 17.538 ( -9.325 -19.658 -3.358) 22.015 17.759 ( -4.939 -18.265 8.613) 20.789 18.060 ( -8.346 -1.214 11.609) 14.349 18.291 ( 7.685 11.139 29.273) 32.249 18.685 ( 3.946 -10.008 5.031) 11.876 18.776 ( 4.881 -4.477 -0.379) 6.634 19.551 ( -7.638 -1.900 7.766) 11.057 20.045 ( 1.442 -0.396 -13.899) 13.979 20.677 ( -2.860 15.005 -42.828) 45.471 21.822 ( 1.111 14.840 2.243) 15.050 22.464 ( 5.173 5.558 -4.272) 8.712 22.474 ( -5.115 -5.414 -3.945) 8.429 22.757 ( -12.038 -16.492 -4.835) 20.983 23.555 ( -5.130 -16.275 1.221) 17.108 24.382 ( 1.231 -1.694 7.081) 7.384 24.475 ( 0.770 1.961 2.503) 3.272 24.696 ( 1.299 3.229 1.210) 3.685 24.911 ( -3.810 2.582 10.862) 11.797 25.496 ( 0.019 5.509 -0.864) 5.577 25.539 ( -5.425 5.213 -3.613) 8.346 25.681 ( 15.094 1.415 -2.661) 15.392 26.267 ( 5.636 7.909 -4.990) 10.919 26.978 ( 6.572 3.091 14.658) 16.358 27.514 ( -0.749 4.010 -11.115) 11.840 28.267 ( -2.764 -6.629 1.683) 7.377 34.301 ( -1.871 -0.331 5.200) 5.537 34.513 ( 2.860 1.902 -0.599) 3.487 34.961 ( -2.662 -2.718 -1.721) 4.176======================= Grid point 509 (162/189) =======================q-point: ( 0.67 0.42 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.624 ( -11.908 -30.057 -3.724) 32.544 9.891 ( -0.776 18.722 28.080) 33.758 10.169 ( 2.200 22.562 0.821) 22.684 11.056 ( 15.829 3.810 -31.526) 35.481 11.333 ( 16.387 6.664 13.085) 22.004 12.294 ( -17.509 -5.557 0.984) 18.397 16.767 ( -5.165 -4.704 1.216) 7.091 17.064 ( -9.814 -13.609 0.735) 16.795 17.268 ( 4.443 -8.353 -14.853) 17.611 17.504 ( -7.445 -16.710 -0.415) 18.298 17.938 ( -6.635 -7.985 8.809) 13.616 18.329 ( -10.473 -10.023 4.331) 15.129 18.816 ( -1.730 7.815 -1.746) 8.192 19.026 ( 12.708 -1.128 17.056) 21.300 19.589 ( 5.273 3.268 29.225) 29.876 20.032 ( 4.145 2.469 -8.514) 9.786 20.520 ( 0.425 17.405 -41.893) 45.367 21.800 ( -27.829 -19.929 4.620) 34.539 22.044 ( 0.982 1.459 2.823) 3.326 22.598 ( 5.756 4.921 -3.944) 8.539 22.760 ( 5.587 8.911 -6.348) 12.285 23.363 ( 3.083 -18.282 -2.327) 18.686 24.393 ( -2.186 -0.172 3.286) 3.951 24.483 ( -0.852 -3.329 1.415) 3.716 24.785 ( 3.697 2.873 2.153) 5.154 24.951 ( -3.985 2.370 12.741) 13.559 25.452 ( -6.856 2.808 -3.415) 8.158 25.566 ( 2.300 7.264 -1.489) 7.763 25.900 ( 10.782 1.426 -3.977) 11.581 26.387 ( 3.409 6.002 -3.314) 7.657 27.206 ( 6.566 1.685 12.202) 13.959 27.450 ( -2.262 3.130 -11.302) 11.944 28.170 ( -2.450 -5.291 0.738) 5.877 34.293 ( -1.616 -1.821 4.117) 4.783 34.562 ( 1.038 2.429 -2.036) 3.335 34.890 ( -1.622 -2.431 0.099) 2.924======================= Grid point 510 (163/189) =======================q-point: (-0.25 0.42 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.116 ( -12.760 -17.361 -6.001) 22.366 9.972 ( -14.610 3.517 13.625) 20.285 10.513 ( -1.490 21.711 5.558) 22.461 11.255 ( 23.279 -0.282 -11.316) 25.885 11.712 ( 16.083 -6.060 11.179) 20.503 12.033 ( -6.222 0.159 0.007) 6.224 16.719 ( -3.437 -1.099 1.682) 3.981 16.799 ( -8.868 2.196 1.168) 9.210 17.138 ( -6.816 -7.542 -3.987) 10.920 17.267 ( 5.882 -8.859 -19.179) 21.930 17.826 ( -3.149 -6.495 6.605) 9.784 18.037 ( -12.569 -9.223 0.212) 15.591 18.741 ( -14.231 12.173 -10.473) 21.457 19.105 ( 1.882 -11.585 7.265) 13.804 19.988 ( -1.794 -3.998 17.817) 18.348 20.127 ( 10.477 3.852 7.613) 13.512 20.527 ( 8.855 17.929 -32.328) 38.013 21.258 ( -8.365 -15.360 15.737) 23.528 22.161 ( 2.033 3.352 5.728) 6.941 22.702 ( 4.262 3.881 -3.484) 6.735 22.898 ( 4.222 9.021 -6.394) 11.836 23.274 ( 8.106 -16.413 -1.278) 18.350 24.364 ( -3.293 1.560 0.468) 3.673 24.414 ( -1.776 -5.742 0.443) 6.026 24.882 ( 4.231 -0.874 2.052) 4.783 24.993 ( -4.448 2.257 14.959) 15.768 25.309 ( -7.546 -0.386 -6.586) 10.023 25.687 ( 1.963 9.897 -0.562) 10.106 26.019 ( 5.765 0.336 -5.185) 7.760 26.455 ( 0.218 4.639 -1.216) 4.800 27.331 ( -3.586 -1.000 -4.910) 6.162 27.408 ( 4.895 3.882 3.622) 7.222 28.094 ( -1.196 -3.754 -0.621) 3.989 34.262 ( -1.417 -3.671 2.487) 4.655 34.563 ( -2.819 3.159 -1.086) 4.371 34.873 ( 1.881 -1.942 0.617) 2.773======================= Grid point 519 (164/189) =======================q-point: ( 0.50 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.745 ( 0.000 2.433 40.562) 40.634 9.336 ( 0.000 31.368 37.498) 48.888 10.273 ( -0.000 -20.016 -13.142) 23.945 10.750 ( -0.000 13.578 -32.597) 35.312 10.926 ( -0.000 10.812 -35.018) 36.649 13.015 ( 0.000 -3.566 18.443) 18.785 16.702 ( -0.000 -3.951 4.149) 5.730 17.542 ( -0.000 -23.961 -1.627) 24.016 17.546 ( -0.000 -19.972 3.245) 20.234 17.889 ( -0.000 -21.605 13.053) 25.242 17.980 ( 0.000 4.616 21.577) 22.065 18.357 ( 0.000 -2.500 6.420) 6.890 18.595 ( -0.000 -2.944 2.487) 3.854 18.691 ( -0.000 -9.093 6.270) 11.045 19.726 ( -0.000 -2.046 1.807) 2.730 20.032 ( -0.000 -2.349 -14.305) 14.497 20.720 ( -0.000 11.684 -38.095) 39.847 21.809 ( 0.000 20.237 -6.661) 21.305 22.351 ( 0.000 7.820 -1.364) 7.938 22.428 ( 0.000 7.249 -8.622) 11.264 22.967 ( -0.000 -38.004 -5.325) 38.375 24.067 ( -0.000 -5.746 9.261) 10.899 24.128 ( -0.000 -5.289 6.634) 8.485 24.535 ( 0.000 12.058 1.492) 12.150 24.672 ( 0.000 -1.829 3.515) 3.963 25.054 ( 0.000 3.775 -3.950) 5.464 25.186 ( 0.000 -4.148 6.902) 8.053 25.508 ( 0.000 4.889 -5.730) 7.532 25.689 ( 0.000 6.785 2.114) 7.107 26.131 ( 0.000 10.494 -5.062) 11.651 26.852 ( 0.000 3.048 16.296) 16.579 27.526 ( -0.000 5.228 -11.061) 12.235 28.320 ( -0.000 -7.604 2.209) 7.918 34.357 ( 0.000 0.663 5.448) 5.489 34.436 ( 0.000 1.112 -0.448) 1.199 35.012 ( -0.000 -2.659 -2.547) 3.682======================= Grid point 520 (165/189) =======================q-point: ( 0.58 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.874 ( -3.378 -22.539 23.632) 32.831 9.769 ( 3.332 20.164 14.138) 24.851 10.119 ( 3.359 -1.259 -5.494) 6.561 10.828 ( -0.548 17.925 -24.561) 30.411 10.900 ( 6.321 24.302 -6.920) 26.047 12.872 ( -11.008 -10.895 -4.819) 16.220 16.765 ( 4.929 -4.966 6.566) 9.595 17.174 ( -8.689 -17.734 -0.890) 19.768 17.415 ( -0.411 -20.620 0.316) 20.627 17.696 ( -4.514 -21.416 9.319) 23.788 18.233 ( -0.821 -9.165 12.887) 15.836 18.311 ( 5.359 -5.044 19.218) 20.580 18.529 ( 4.187 -14.481 5.210) 15.949 18.848 ( 0.239 21.935 9.573) 23.934 19.659 ( -3.700 -2.742 0.338) 4.618 19.958 ( 0.744 1.507 -7.484) 7.670 20.568 ( -1.182 12.037 -40.213) 41.993 21.947 ( 0.862 15.063 -6.189) 16.308 22.434 ( -1.423 -5.398 -3.130) 6.400 22.452 ( 0.276 1.175 -2.568) 2.838 22.584 ( 3.023 -16.584 -4.706) 17.501 23.740 ( -22.357 -6.886 4.114) 23.752 24.302 ( 8.525 -4.166 5.870) 11.158 24.564 ( -5.617 2.681 1.386) 6.376 24.727 ( 1.527 5.885 1.152) 6.188 25.022 ( -0.651 1.210 3.183) 3.467 25.341 ( 13.322 -4.217 -2.403) 14.178 25.514 ( 1.741 3.989 -6.325) 7.678 25.749 ( -4.816 8.854 5.910) 11.684 26.237 ( 3.993 8.174 -2.909) 9.551 27.012 ( 3.596 1.890 14.720) 15.271 27.499 ( -0.691 5.180 -11.076) 12.247 28.248 ( -1.510 -6.967 2.031) 7.412 34.364 ( -2.484 -0.321 3.388) 4.214 34.475 ( 3.086 1.161 -0.500) 3.335 34.960 ( -1.460 -2.303 -1.786) 3.260======================= Grid point 521 (166/189) =======================q-point: ( 0.67 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.535 ( -11.693 -29.962 5.675) 32.660 10.190 ( 2.994 6.396 -1.917) 7.318 10.202 ( 16.392 18.559 6.251) 25.538 10.839 ( -1.030 17.833 -16.675) 24.436 11.286 ( 5.480 17.674 11.418) 21.743 12.472 ( -12.635 -12.752 -11.345) 21.236 16.768 ( -0.049 -6.133 1.315) 6.273 16.987 ( -0.245 -6.395 1.578) 6.592 17.156 ( -6.531 -14.952 -0.066) 16.316 17.460 ( -5.716 -19.323 4.499) 20.647 18.031 ( -8.564 -8.900 0.909) 12.385 18.337 ( -2.440 -15.643 4.414) 16.436 18.699 ( 14.899 -4.957 8.645) 17.924 19.116 ( -4.057 10.411 8.655) 14.134 19.739 ( 6.995 9.182 25.095) 27.622 19.984 ( 1.519 4.331 -0.843) 4.666 20.391 ( -0.488 12.709 -42.273) 44.145 21.911 ( -12.108 -30.879 -7.378) 33.978 22.088 ( -1.733 8.243 -1.085) 8.493 22.560 ( 3.141 6.350 -0.394) 7.095 22.701 ( 7.186 7.273 -0.819) 10.257 23.337 ( -16.117 -6.931 0.300) 17.547 24.396 ( 3.377 -3.055 3.181) 5.555 24.487 ( -3.741 -2.385 0.424) 4.457 24.803 ( -0.065 5.791 -0.106) 5.792 25.064 ( -0.279 0.551 5.548) 5.582 25.440 ( 5.985 -4.805 -5.184) 9.262 25.585 ( 4.411 5.115 -3.397) 7.560 25.815 ( -0.410 8.150 4.427) 9.283 26.367 ( 4.134 6.032 -1.286) 7.425 27.197 ( 5.444 0.860 12.768) 13.907 27.450 ( -2.021 4.161 -11.029) 11.960 28.164 ( -2.330 -5.489 1.326) 6.109 34.325 ( -2.347 -2.003 1.248) 3.329 34.541 ( 3.034 1.783 -0.281) 3.530 34.898 ( -2.151 -1.954 -0.751) 3.001======================= Grid point 522 (167/189) =======================q-point: ( 0.75 0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 438Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.108 ( -10.254 -17.760 -0.000) 20.508 10.234 ( -0.764 -1.323 -0.000) 1.528 10.748 ( 14.496 25.108 -0.000) 28.992 10.906 ( 2.795 4.841 -0.000) 5.590 11.463 ( -0.209 -0.362 0.000) 0.418 12.163 ( -3.751 -6.497 -0.000) 7.502 16.734 ( -3.367 -5.832 -0.000) 6.734 16.900 ( 0.847 1.466 -0.000) 1.693 17.074 ( 1.734 3.003 -0.000) 3.467 17.166 ( -9.325 -16.152 -0.000) 18.650 17.847 ( -3.507 -6.074 -0.000) 7.014 18.112 ( -7.768 -13.455 -0.000) 15.536 18.899 ( 2.904 5.030 -0.000) 5.809 19.055 ( -3.127 -5.416 -0.000) 6.254 20.013 ( -0.287 -0.498 -0.000) 0.575 20.137 ( 2.657 4.601 0.000) 5.313 20.404 ( 8.583 14.867 -0.000) 17.167 21.311 ( -13.434 -23.268 -0.000) 26.868 22.175 ( 2.548 4.413 0.000) 5.096 22.671 ( 3.234 5.601 -0.000) 6.467 22.897 ( 5.352 9.269 -0.000) 10.703 23.098 ( -3.770 -6.530 -0.000) 7.540 24.394 ( -2.926 -5.067 -0.000) 5.851 24.412 ( -0.412 -0.713 0.000) 0.824 24.840 ( 0.740 1.282 -0.000) 1.480 25.084 ( -0.269 -0.466 0.000) 0.538 25.379 ( -3.335 -5.776 -0.000) 6.670 25.725 ( 4.833 8.371 -0.000) 9.665 25.931 ( 3.205 5.551 -0.000) 6.410 26.472 ( 2.583 4.474 -0.000) 5.166 27.343 ( -1.270 -2.200 -0.000) 2.540 27.397 ( 3.086 5.345 0.000) 6.171 28.083 ( -2.235 -3.870 -0.000) 4.469 34.264 ( -2.031 -3.518 -0.000) 4.063 34.604 ( 1.639 2.838 -0.000) 3.278 34.844 ( -1.267 -2.194 -0.000) 2.534======================= Grid point 533 (168/189) =======================q-point: ( 0.58 0.58 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.787 ( -0.000 -33.457 18.964) 38.458 9.840 ( 0.000 8.196 -9.980) 12.914 10.080 ( 0.000 9.260 -7.737) 12.067 10.923 ( 0.000 22.326 -11.297) 25.022 11.220 ( 0.000 35.525 17.733) 39.705 12.703 ( -0.000 -17.001 -27.148) 32.032 16.724 ( -0.000 -10.478 8.848) 13.715 17.152 ( -0.000 -10.684 7.326) 12.955 17.200 ( -0.000 -16.735 -0.068) 16.735 17.602 ( -0.000 -20.018 8.679) 21.818 18.167 ( -0.000 -17.615 23.164) 29.101 18.298 ( -0.000 -7.197 -3.599) 8.046 18.374 ( -0.000 -14.528 6.601) 15.958 19.224 ( 0.000 30.969 19.989) 36.860 19.631 ( -0.000 -4.356 -4.452) 6.229 19.951 ( 0.000 4.936 -1.810) 5.257 20.424 ( -0.000 8.111 -35.634) 36.546 21.964 ( -0.000 -0.875 -15.474) 15.498 22.201 ( -0.000 -19.833 -4.782) 20.402 22.517 ( 0.000 7.649 2.390) 8.014 22.539 ( 0.000 8.949 0.616) 8.970 24.057 ( -0.000 -3.289 3.658) 4.919 24.095 ( -0.000 -5.839 4.820) 7.571 24.675 ( -0.000 -2.209 2.867) 3.620 24.779 ( 0.000 11.064 -0.794) 11.092 24.946 ( -0.000 -1.414 -13.401) 13.475 25.219 ( 0.000 -3.460 9.089) 9.726 25.486 ( -0.000 2.429 -5.696) 6.192 25.922 ( 0.000 7.815 6.565) 10.206 26.260 ( 0.000 6.573 -1.244) 6.690 27.091 ( 0.000 0.817 14.225) 14.248 27.484 ( -0.000 5.047 -10.974) 12.079 28.211 ( -0.000 -6.079 2.169) 6.455 34.417 ( -0.000 -0.171 -3.878) 3.882 34.431 ( 0.000 -0.376 4.936) 4.950 34.943 ( -0.000 -1.443 -1.594) 2.150======================= Grid point 534 (169/189) =======================q-point: ( 0.67 0.58 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.474 ( -8.400 -31.488 11.137) 34.440 9.925 ( 10.378 1.508 -12.145) 16.046 10.190 ( 8.640 13.076 -9.831) 18.500 11.099 ( -4.815 24.647 4.605) 25.531 11.648 ( -4.824 27.526 18.996) 33.790 12.285 ( -2.088 -17.396 -32.968) 37.335 16.656 ( 4.002 -11.395 1.260) 12.143 16.992 ( -4.570 -13.430 1.322) 14.248 17.164 ( -1.979 -4.344 12.202) 13.102 17.421 ( -6.968 -14.558 9.804) 18.884 18.044 ( -5.845 -11.768 -1.654) 13.243 18.200 ( 0.956 -14.886 -0.894) 14.944 18.442 ( 14.812 -10.418 15.598) 23.900 19.366 ( -12.718 3.347 -3.355) 13.573 19.854 ( 12.783 18.248 19.482) 29.596 20.038 ( 2.246 8.903 4.544) 10.245 20.251 ( -2.747 5.064 -28.122) 28.706 21.675 ( -3.276 -22.740 -16.436) 28.248 22.132 ( 0.778 4.906 -6.531) 8.206 22.607 ( 0.373 6.702 3.049) 7.373 22.691 ( 4.314 8.884 4.120) 10.701 23.675 ( -24.824 -3.695 1.950) 25.173 24.282 ( 8.651 -3.415 2.913) 9.746 24.554 ( -7.017 -2.517 -1.315) 7.570 24.881 ( -1.189 7.360 -1.163) 7.546 24.970 ( 10.851 -1.810 -12.064) 16.326 25.263 ( 2.910 -4.923 6.883) 8.949 25.525 ( 4.780 3.949 -2.227) 6.588 25.989 ( -4.225 6.470 5.702) 9.604 26.348 ( 3.677 4.359 0.449) 5.721 27.214 ( 3.009 -0.181 13.280) 13.617 27.447 ( -1.222 4.246 -10.839) 11.705 28.159 ( -1.506 -4.480 1.737) 5.035 34.348 ( -2.733 -1.737 -2.503) 4.092 34.494 ( 3.485 -0.524 1.988) 4.047 34.912 ( -1.424 -0.374 -1.157) 1.873======================= Grid point 548 (170/189) =======================q-point: (-0.33 -0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.302 ( -0.000 -32.108 9.741) 33.553 9.775 ( -0.000 -4.372 -6.790) 8.075 10.144 ( 0.000 14.611 -16.314) 21.901 11.468 ( 0.000 25.397 16.717) 30.405 11.853 ( -0.000 -7.717 -49.770) 50.364 12.107 ( 0.000 17.600 24.724) 30.349 16.480 ( -0.000 -12.765 0.160) 12.766 16.889 ( -0.000 -11.951 -4.299) 12.700 17.147 ( -0.000 -14.220 7.965) 16.299 17.559 ( 0.000 0.129 16.667) 16.667 18.004 ( -0.000 -14.164 4.857) 14.974 18.051 ( -0.000 -5.640 -4.179) 7.019 18.253 ( -0.000 -13.294 13.310) 18.812 19.448 ( -0.000 -5.710 -7.574) 9.486 19.893 ( -0.000 8.133 -14.264) 16.420 20.151 ( 0.000 10.397 7.001) 12.534 20.331 ( 0.000 16.551 17.582) 24.147 21.396 ( -0.000 -12.372 -22.733) 25.881 22.114 ( -0.000 3.996 -7.955) 8.902 22.698 ( 0.000 5.554 4.817) 7.352 22.779 ( 0.000 9.316 6.642) 11.442 24.016 ( -0.000 -6.554 0.578) 6.579 24.063 ( 0.000 0.476 2.232) 2.283 24.632 ( -0.000 -4.919 -19.912) 20.511 24.663 ( -0.000 -1.964 1.683) 2.586 24.950 ( 0.000 5.277 -2.383) 5.790 25.274 ( 0.000 -3.087 8.197) 8.759 25.500 ( 0.000 3.965 -0.569) 4.005 26.119 ( 0.000 4.533 4.166) 6.156 26.346 ( 0.000 1.201 2.142) 2.456 27.268 ( 0.000 -1.892 13.084) 13.220 27.430 ( -0.000 4.726 -10.095) 11.147 28.146 ( -0.000 -3.028 1.575) 3.413 34.330 ( -0.000 -1.389 -6.537) 6.683 34.463 ( -0.000 -3.148 4.652) 5.617 34.922 ( 0.000 1.396 -1.179) 1.827======================= Grid point 641 (171/189) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 6.807 ( 0.000 -0.000 69.916) 69.916 6.807 ( 0.000 -0.000 69.916) 69.916 11.285 ( 0.000 -0.000 110.677) 110.677 11.537 ( -0.000 0.000 -53.928) 53.928 11.537 ( -0.000 0.000 -53.928) 53.928 11.955 ( -0.000 0.000 -21.619) 21.619 17.319 ( -0.000 0.000 -17.657) 17.657 17.319 ( -0.000 0.000 -17.657) 17.657 17.805 ( 0.000 -0.000 31.387) 31.387 18.320 ( 0.000 -0.000 6.608) 6.608 18.320 ( 0.000 -0.000 6.608) 6.608 18.743 ( -0.000 0.000 -1.796) 1.796 18.743 ( -0.000 0.000 -1.796) 1.796 19.501 ( 0.000 -0.000 9.956) 9.956 19.501 ( 0.000 -0.000 9.956) 9.956 20.619 ( -0.000 0.000 -21.221) 21.221 20.898 ( -0.000 0.000 -2.824) 2.824 21.269 ( -0.000 0.000 -49.529) 49.529 22.287 ( -0.000 0.000 -10.586) 10.586 22.287 ( -0.000 0.000 -10.586) 10.586 24.046 ( 0.000 -0.000 0.395) 0.395 24.092 ( 0.000 -0.000 19.089) 19.089 24.092 ( 0.000 -0.000 19.089) 19.089 24.600 ( 0.000 -0.000 7.362) 7.362 24.600 ( 0.000 -0.000 7.362) 7.362 24.608 ( 0.000 -0.000 0.284) 0.284 25.196 ( 0.000 -0.000 4.589) 4.589 25.196 ( 0.000 -0.000 4.589) 4.589 25.711 ( -0.000 0.000 -14.528) 14.528 25.711 ( -0.000 0.000 -14.528) 14.528 26.281 ( 0.000 -0.000 20.356) 20.356 27.600 ( -0.000 0.000 -11.608) 11.608 28.557 ( 0.000 -0.000 2.440) 2.440 34.266 ( 0.000 -0.000 5.658) 5.658 34.266 ( 0.000 -0.000 5.658) 5.658 35.197 ( -0.000 0.000 -4.598) 4.598======================= Grid point 642 (172/189) =======================q-point: ( 0.42 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.312 ( 8.274 4.777 66.426) 67.110 7.557 ( 21.261 12.275 60.954) 65.712 11.094 ( -3.371 -1.946 -48.132) 48.290 11.281 ( 4.966 2.867 -51.462) 51.781 11.644 ( -14.964 -8.639 -21.640) 27.691 12.030 ( 2.087 1.205 92.251) 92.283 17.110 ( -0.044 -0.025 -9.306) 9.306 17.364 ( 6.399 3.695 -18.598) 20.012 17.952 ( -4.970 -2.870 28.438) 29.011 18.260 ( -9.558 -5.518 4.395) 11.879 18.283 ( -5.400 -3.118 6.893) 9.295 18.597 ( -9.119 -5.265 -3.021) 10.954 18.758 ( 1.178 0.680 -2.776) 3.091 19.496 ( -7.425 -4.287 10.201) 13.325 19.527 ( -2.562 -1.479 11.022) 11.412 20.444 ( -2.762 -1.594 -21.239) 21.477 20.868 ( 1.345 0.776 -35.160) 35.194 21.085 ( 8.411 4.856 -13.518) 16.645 22.230 ( 2.807 1.621 -9.728) 10.254 22.290 ( 4.381 2.530 -9.594) 10.846 24.052 ( -15.591 -9.001 11.867) 21.562 24.093 ( 2.928 1.691 2.392) 4.142 24.207 ( 0.202 0.116 16.717) 16.719 24.471 ( -7.437 -4.294 1.622) 8.739 24.606 ( -1.341 -0.774 7.029) 7.198 24.704 ( 0.776 0.448 6.131) 6.196 25.231 ( 1.755 1.013 2.323) 3.083 25.284 ( 4.792 2.767 2.435) 6.045 25.610 ( 0.716 0.413 -12.213) 12.241 25.785 ( 11.348 6.552 -11.776) 17.618 26.458 ( 3.843 2.219 19.512) 20.010 27.533 ( 1.066 0.615 -12.018) 12.081 28.538 ( -2.901 -1.675 2.082) 3.945 34.263 ( -1.543 -0.891 5.819) 6.086 34.352 ( 2.732 1.577 3.936) 5.044 35.150 ( -1.612 -0.931 -3.971) 4.386======================= Grid point 643 (173/189) =======================q-point: ( 0.50 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.031 ( 17.199 9.930 59.147) 62.392 8.491 ( 26.575 15.343 47.728) 56.741 10.794 ( 4.509 2.603 -40.154) 40.490 10.959 ( -27.527 -15.893 -14.691) 35.016 11.137 ( 7.221 4.169 -53.655) 54.299 12.487 ( -8.275 -4.778 60.887) 61.633 17.278 ( 13.373 7.721 14.749) 21.354 17.353 ( 2.642 1.526 -17.563) 17.827 17.904 ( -13.176 -7.607 13.405) 20.277 17.989 ( -15.290 -8.828 3.901) 18.081 18.175 ( -8.182 -4.724 10.583) 14.187 18.363 ( -9.005 -5.199 0.811) 10.430 18.764 ( 1.164 0.672 -2.900) 3.196 19.319 ( -11.690 -6.749 4.088) 14.104 19.534 ( -3.236 -1.868 11.180) 11.788 20.231 ( -3.027 -1.747 -20.478) 20.774 20.590 ( 0.071 0.041 -45.103) 45.103 21.316 ( 11.606 6.701 2.673) 13.665 22.285 ( 7.027 4.057 -8.127) 11.484 22.358 ( 6.551 3.782 -8.106) 11.088 23.559 ( -30.169 -17.418 4.787) 35.164 24.179 ( 1.016 0.587 6.874) 6.973 24.333 ( 3.042 1.756 10.732) 11.292 24.338 ( -6.041 -3.488 1.902) 7.230 24.631 ( -0.600 -0.347 7.289) 7.322 24.730 ( -0.797 -0.460 3.097) 3.231 25.307 ( 3.046 1.758 1.475) 3.813 25.373 ( 2.788 1.610 -5.543) 6.410 25.642 ( 7.258 4.190 -2.915) 8.873 25.991 ( 11.753 6.786 -8.911) 16.235 26.708 ( 6.832 3.945 17.840) 19.507 27.485 ( 1.707 0.986 -12.278) 12.436 28.460 ( -4.833 -2.790 1.641) 5.817 34.272 ( -1.155 -0.667 6.050) 6.195 34.438 ( 3.026 1.747 1.663) 3.870 35.073 ( -2.980 -1.721 -3.001) 4.566======================= Grid point 644 (174/189) =======================q-point: ( 0.58 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.838 ( 21.065 12.162 48.930) 54.642 9.278 ( 18.768 10.836 24.904) 33.013 10.079 ( -37.469 -21.633 -15.306) 45.893 10.855 ( 19.011 10.976 -16.628) 27.539 11.072 ( 13.908 8.030 -44.386) 47.202 12.480 ( -17.099 -9.872 30.068) 35.971 17.198 ( -10.082 -5.821 -8.593) 14.470 17.515 ( -14.147 -8.168 6.075) 17.428 17.622 ( -8.835 -5.101 -8.102) 13.027 17.967 ( 13.920 8.037 32.333) 36.108 18.018 ( -11.924 -6.885 6.015) 15.026 18.221 ( -6.526 -3.768 8.428) 11.306 18.757 ( -0.847 -0.489 -5.401) 5.489 19.086 ( -6.528 -3.769 1.579) 7.701 19.529 ( -3.611 -2.085 10.422) 11.225 20.068 ( 0.398 0.230 -17.030) 17.036 20.315 ( 2.207 1.274 -41.454) 41.532 21.592 ( 9.240 5.335 6.527) 12.507 22.422 ( 8.058 4.652 -5.787) 10.958 22.471 ( 7.473 4.315 -6.560) 10.840 22.826 ( -34.039 -19.652 1.613) 39.338 24.204 ( -2.855 -1.648 6.405) 7.204 24.212 ( -5.281 -3.049 -0.368) 6.109 24.481 ( 3.113 1.797 10.401) 11.005 24.684 ( 1.830 1.057 5.625) 6.009 24.725 ( -0.808 -0.466 1.198) 1.518 25.361 ( 1.195 0.690 -0.616) 1.511 25.384 ( 2.328 1.344 -4.761) 5.467 25.835 ( 9.182 5.301 -0.762) 10.630 26.177 ( 8.957 5.171 -6.976) 12.475 26.987 ( 7.568 4.369 15.122) 17.465 27.440 ( 1.438 0.830 -12.492) 12.602 28.349 ( -5.448 -3.145 0.909) 6.356 34.290 ( -0.945 -0.545 6.283) 6.377 34.506 ( 2.528 1.460 -1.151) 3.138 34.983 ( -3.408 -1.968 -1.352) 4.161======================= Grid point 645 (175/189) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.120 ( -35.366 -20.418 -15.335) 43.621 9.600 ( 18.476 10.667 37.109) 42.804 9.670 ( 9.028 5.212 3.988) 11.161 11.176 ( 17.978 10.380 -32.569) 38.623 11.377 ( 22.532 13.009 16.579) 30.851 12.218 ( -14.325 -8.271 7.641) 18.221 16.821 ( -17.332 -10.007 -1.366) 20.060 17.167 ( -15.744 -9.090 3.123) 18.446 17.422 ( -4.882 -2.819 -13.443) 14.577 17.746 ( -9.924 -5.730 -6.267) 13.061 18.138 ( -6.078 -3.509 8.053) 10.682 18.256 ( -7.700 -4.445 12.300) 15.177 18.577 ( -9.537 -5.506 -8.460) 13.887 19.346 ( 21.465 12.393 20.690) 32.286 19.503 ( -4.360 -2.517 8.653) 10.011 20.041 ( 5.395 3.115 -11.086) 12.716 20.197 ( 9.166 5.292 -29.241) 31.098 21.734 ( -9.194 -5.308 9.226) 14.065 22.104 ( -18.082 -10.440 4.621) 21.385 22.597 ( 6.800 3.926 -5.382) 9.519 22.622 ( 9.381 5.416 -7.109) 12.957 24.107 ( -2.856 -1.649 -2.105) 3.913 24.138 ( -5.123 -2.958 2.037) 6.256 24.584 ( -1.975 -1.141 16.712) 16.867 24.705 ( -1.255 -0.725 -0.278) 1.476 24.804 ( 6.130 3.539 1.935) 7.338 25.351 ( -0.789 -0.456 -3.698) 3.809 25.427 ( 2.937 1.695 -0.814) 3.487 26.014 ( 7.126 4.114 -2.352) 8.558 26.299 ( 5.230 3.020 -5.074) 7.888 27.235 ( 6.251 3.609 11.033) 13.184 27.377 ( -0.001 -0.001 -11.523) 11.523 28.235 ( -4.545 -2.624 -0.219) 5.253 34.311 ( -0.966 -0.558 6.458) 6.554 34.524 ( 0.277 0.160 -4.081) 4.094 34.918 ( -1.702 -0.982 0.814) 2.127======================= Grid point 654 (176/189) =======================q-point: ( 0.42 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 7.831 ( 0.000 17.605 62.058) 64.507 7.867 ( 0.000 13.818 58.379) 59.992 10.817 ( -0.000 0.814 -47.328) 47.335 10.869 ( -0.000 0.764 -51.591) 51.596 11.530 ( -0.000 -17.411 -16.532) 24.009 12.645 ( 0.000 2.954 79.901) 79.956 16.943 ( -0.000 -7.235 -11.153) 13.294 17.331 ( 0.000 15.636 -13.361) 20.567 18.138 ( 0.000 -5.845 24.850) 25.528 18.243 ( -0.000 -13.366 5.380) 14.408 18.359 ( -0.000 -4.667 4.108) 6.217 18.621 ( -0.000 -9.897 -2.522) 10.213 18.681 ( -0.000 -2.029 -1.170) 2.342 19.453 ( -0.000 -17.039 8.748) 19.154 19.689 ( 0.000 1.366 10.795) 10.881 20.306 ( -0.000 -3.322 -20.109) 20.381 20.619 ( -0.000 4.609 -42.742) 42.990 21.065 ( 0.000 14.643 -3.285) 15.007 22.162 ( -0.000 1.996 -7.035) 7.312 22.231 ( -0.000 5.174 -9.332) 10.670 24.108 ( 0.000 5.531 0.106) 5.532 24.246 ( 0.000 -7.513 15.093) 16.859 24.279 ( 0.000 -2.602 12.359) 12.630 24.326 ( -0.000 -23.580 0.302) 23.582 24.685 ( 0.000 -0.248 4.145) 4.152 24.800 ( 0.000 6.151 7.826) 9.953 25.245 ( 0.000 0.092 2.280) 2.282 25.274 ( 0.000 4.571 0.018) 4.571 25.568 ( -0.000 2.498 -11.606) 11.872 25.674 ( 0.000 12.549 -9.610) 15.806 26.580 ( 0.000 3.369 18.899) 19.197 27.454 ( -0.000 1.876 -12.659) 12.797 28.549 ( -0.000 -3.561 1.701) 3.946 34.309 ( 0.000 -0.548 5.071) 5.100 34.366 ( 0.000 1.834 3.027) 3.539 35.127 ( -0.000 -1.579 -3.343) 3.697======================= Grid point 655 (177/189) =======================q-point: ( 0.50 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.374 ( 4.096 17.229 54.676) 57.472 8.620 ( 16.237 19.625 50.785) 56.814 10.497 ( 0.763 4.471 -43.555) 43.791 10.668 ( 9.173 3.826 -47.303) 48.336 11.076 ( -16.562 -23.643 -14.253) 32.194 13.011 ( -10.270 -3.910 51.486) 52.645 16.950 ( 12.870 -6.087 -4.348) 14.886 17.478 ( 3.116 22.620 0.404) 22.838 17.993 ( -9.997 -18.545 4.007) 21.446 18.200 ( -2.163 -11.950 11.513) 16.734 18.296 ( -10.694 -2.382 3.932) 11.640 18.388 ( -4.615 -14.188 7.049) 16.501 18.716 ( 3.452 -1.550 -1.018) 3.919 19.296 ( -1.921 -19.968 3.844) 20.425 19.701 ( -5.758 0.428 7.894) 9.781 20.121 ( -2.088 -3.493 -17.971) 18.426 20.381 ( -2.773 7.380 -39.948) 40.719 21.278 ( 6.752 15.717 0.701) 17.120 22.189 ( 3.778 4.799 -4.783) 7.757 22.262 ( 3.848 5.692 -7.854) 10.435 23.875 ( -21.215 -21.957 2.433) 30.629 24.133 ( -0.825 -11.828 4.450) 12.665 24.245 ( 3.136 1.641 3.063) 4.681 24.412 ( 3.235 -2.710 8.825) 9.782 24.690 ( -1.252 -0.659 3.510) 3.785 24.860 ( -4.260 5.647 5.974) 9.259 25.312 ( 2.299 4.897 2.410) 5.923 25.350 ( 2.935 4.994 -3.490) 6.763 25.520 ( 2.856 1.473 -6.387) 7.150 25.849 ( 8.782 11.732 -6.519) 16.039 26.773 ( 3.804 4.021 17.727) 18.571 27.399 ( 0.700 2.903 -13.033) 13.371 28.495 ( -2.478 -4.816 1.337) 5.578 34.327 ( -1.198 0.063 4.932) 5.076 34.419 ( 2.124 1.508 1.102) 2.829 35.075 ( -1.571 -2.159 -2.486) 3.648======================= Grid point 656 (178/189) =======================q-point: ( 0.58 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.009 ( 11.498 14.168 43.306) 46.993 9.319 ( 9.859 10.886 32.804) 35.941 10.343 ( -24.784 -18.483 -14.410) 34.110 10.502 ( 15.939 15.968 -29.482) 37.124 10.628 ( 12.926 3.903 -35.202) 37.703 12.918 ( -19.821 -10.985 26.566) 34.919 17.040 ( 7.693 -5.798 -10.678) 14.381 17.592 ( -11.436 -19.129 -1.192) 22.319 17.847 ( -18.175 -4.340 3.293) 18.974 17.993 ( 8.522 3.291 15.420) 17.923 18.154 ( -0.815 -0.959 12.373) 12.437 18.319 ( -4.060 -7.248 13.078) 15.494 18.740 ( 1.246 0.394 -2.552) 2.867 19.054 ( -4.019 -16.124 -3.851) 17.058 19.648 ( -4.807 -1.890 8.385) 9.848 19.964 ( -0.607 -0.909 -13.073) 13.119 20.148 ( -3.801 8.381 -34.098) 35.318 21.569 ( 8.029 12.867 3.755) 15.624 22.309 ( 6.584 6.380 -3.545) 9.829 22.362 ( 6.134 5.978 -5.813) 10.351 23.213 ( -30.998 -22.727 1.943) 38.486 23.971 ( 1.651 -22.472 1.272) 22.569 24.361 ( 0.797 5.770 2.100) 6.192 24.480 ( 3.157 -0.211 3.467) 4.694 24.687 ( 0.002 -0.982 2.146) 2.359 24.887 ( -4.975 6.591 8.478) 11.835 25.374 ( 0.723 4.841 -3.529) 6.034 25.393 ( -2.995 6.592 -0.204) 7.243 25.658 ( 13.127 0.211 -2.814) 13.427 26.064 ( 7.930 9.359 -4.398) 13.032 27.011 ( 6.037 3.658 15.643) 17.161 27.356 ( 0.729 3.418 -13.243) 13.697 28.394 ( -4.050 -5.253 0.735) 6.673 34.340 ( -0.985 -0.160 4.815) 4.917 34.473 ( 2.184 1.571 -1.127) 2.917 35.003 ( -2.491 -2.437 -1.205) 3.688======================= Grid point 657 (179/189) =======================q-point: ( 0.67 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.183 ( -14.255 -27.151 -5.919) 31.232 9.742 ( 10.205 16.971 27.068) 33.539 9.842 ( -12.170 9.575 7.613) 17.256 10.752 ( 18.755 6.845 -23.856) 31.108 11.044 ( 31.404 21.538 -9.163) 39.167 12.573 ( -21.578 -13.682 19.816) 32.334 16.924 ( -7.115 -8.248 -5.898) 12.387 17.251 ( -3.817 -12.301 -9.553) 16.036 17.422 ( -16.356 -10.281 -1.436) 19.372 17.800 ( -11.770 -14.612 -1.930) 18.862 18.207 ( -4.898 -11.029 10.231) 15.821 18.480 ( -10.480 -0.474 9.462) 14.127 18.680 ( -7.457 2.582 -7.167) 10.660 19.077 ( 21.787 6.121 0.570) 22.637 19.663 ( -0.722 5.085 11.440) 12.540 19.924 ( 3.185 2.063 -5.916) 7.029 20.029 ( 3.259 5.834 -14.133) 15.633 21.826 ( 4.221 8.212 6.467) 11.272 22.382 ( -20.417 -17.308 2.639) 26.896 22.471 ( 7.310 5.210 -3.445) 9.615 22.569 ( -4.527 2.997 -3.644) 6.539 23.797 ( 5.681 -24.509 -1.498) 25.203 24.362 ( -5.988 4.438 -0.161) 7.455 24.564 ( 3.629 -3.318 2.079) 5.339 24.733 ( 4.531 2.859 0.738) 5.408 24.928 ( -5.975 7.633 10.297) 14.142 25.367 ( -4.410 3.093 -2.954) 6.143 25.433 ( 1.669 5.126 0.423) 5.407 25.857 ( 11.325 0.747 -4.188) 12.097 26.236 ( 5.240 7.142 -2.642) 9.243 27.231 ( 4.717 2.740 6.948) 8.834 27.320 ( 1.127 2.966 -7.217) 7.884 28.272 ( -4.320 -4.788 -0.295) 6.455 34.352 ( -0.546 -1.209 4.253) 4.455 34.502 ( 0.669 1.890 -2.890) 3.518 34.938 ( -1.880 -2.175 0.445) 2.909======================= Grid point 668 (180/189) =======================q-point: ( 0.50 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 476Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.841 ( 0.000 13.628 44.219) 46.271 9.055 ( 0.000 26.820 50.406) 57.098 10.266 ( -0.000 7.353 -45.624) 46.213 10.327 ( -0.000 6.452 -36.796) 37.357 10.875 ( -0.000 -27.052 -11.960) 29.578 13.310 ( 0.000 -10.407 25.908) 27.920 16.788 ( -0.000 -2.450 3.151) 3.991 17.711 ( 0.000 27.425 7.702) 28.486 17.969 ( -0.000 -18.802 3.939) 19.210 18.003 ( -0.000 -21.851 0.818) 21.866 18.346 ( -0.000 -16.709 6.310) 17.861 18.445 ( 0.000 -1.587 8.139) 8.292 18.634 ( -0.000 -3.486 1.964) 4.002 19.126 ( -0.000 -21.821 4.160) 22.214 19.776 ( -0.000 -1.800 1.597) 2.407 19.997 ( -0.000 -3.563 -13.131) 13.606 20.243 ( -0.000 8.525 -34.413) 35.453 21.398 ( 0.000 19.146 -0.787) 19.163 22.194 ( 0.000 6.781 -1.254) 6.896 22.240 ( 0.000 6.596 -6.283) 9.109 23.691 ( -0.000 -36.134 -2.350) 36.211 24.218 ( 0.000 2.655 1.366) 2.986 24.265 ( -0.000 -7.877 8.294) 11.438 24.383 ( 0.000 2.345 6.924) 7.310 24.718 ( 0.000 -1.003 2.885) 3.054 24.955 ( 0.000 3.856 -2.687) 4.700 25.269 ( 0.000 -0.738 2.885) 2.978 25.364 ( 0.000 5.797 -4.224) 7.172 25.555 ( 0.000 6.958 -0.908) 7.017 25.862 ( 0.000 13.783 -3.424) 14.202 26.895 ( 0.000 3.780 16.946) 17.362 27.343 ( -0.000 4.586 -13.426) 14.187 28.469 ( -0.000 -6.132 1.143) 6.237 34.376 ( 0.000 0.772 4.412) 4.479 34.413 ( 0.000 0.977 -0.394) 1.054 35.051 ( -0.000 -2.577 -1.878) 3.189======================= Grid point 669 (181/189) =======================q-point: ( 0.58 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 864Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.241 ( 2.784 6.153 30.292) 31.036 9.572 ( 0.689 11.534 24.990) 27.532 10.230 ( 9.926 13.213 -18.151) 24.547 10.261 ( 10.035 12.680 -26.191) 30.781 10.461 ( -11.742 -10.615 -10.829) 19.179 13.160 ( -10.308 -17.222 3.830) 20.433 16.860 ( 4.061 -1.344 4.563) 6.254 17.585 ( -12.306 -22.768 -0.027) 25.881 17.853 ( 0.763 -21.361 1.112) 21.404 18.099 ( -9.106 -8.631 1.081) 12.593 18.235 ( 10.634 22.732 19.030) 31.496 18.414 ( -4.555 -3.695 6.115) 8.473 18.663 ( 4.710 -4.260 1.985) 6.654 18.927 ( -2.964 -18.641 2.498) 19.040 19.722 ( -2.394 -3.034 0.657) 3.920 19.901 ( -0.318 -0.757 -6.157) 6.212 20.084 ( -3.050 7.971 -29.043) 30.271 21.616 ( 4.772 16.446 -0.857) 17.146 22.290 ( 2.601 7.639 0.031) 8.069 22.313 ( 3.718 7.827 -2.928) 9.146 23.256 ( -6.841 -37.174 -2.352) 37.872 23.946 ( -18.036 -11.055 3.701) 21.476 24.379 ( 5.858 3.201 0.595) 6.701 24.465 ( -0.372 2.235 4.076) 4.663 24.702 ( -1.382 -0.570 0.768) 1.681 24.990 ( 2.517 2.507 -0.178) 3.557 25.384 ( 1.022 4.883 -4.704) 6.857 25.397 ( 11.737 -1.502 -0.495) 11.843 25.589 ( -6.228 10.049 3.402) 12.303 26.032 ( 5.430 11.233 -1.258) 12.540 27.066 ( 3.239 2.765 15.400) 15.978 27.306 ( 0.109 5.759 -13.472) 14.651 28.394 ( -2.137 -6.544 0.784) 6.929 34.384 ( -1.433 0.059 1.922) 2.398 34.447 ( 2.068 1.466 -0.012) 2.535 35.002 ( -1.264 -2.800 -1.056) 3.248======================= Grid point 670 (182/189) =======================q-point: ( 0.67 0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 440Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.144 ( -14.442 -25.015 0.000) 28.885 9.856 ( 10.277 17.800 -0.000) 20.554 10.124 ( -1.624 -2.813 0.000) 3.248 10.453 ( 7.976 13.816 -0.000) 15.953 10.810 ( 18.043 31.251 -0.000) 36.085 12.779 ( -11.477 -19.879 -0.000) 22.954 16.892 ( -1.273 -2.204 -0.000) 2.545 17.181 ( -9.551 -16.542 -0.000) 19.101 17.530 ( -11.707 -20.277 -0.000) 23.414 17.828 ( -8.942 -15.488 -0.000) 17.884 18.226 ( -6.083 -10.536 -0.000) 12.166 18.665 ( -8.550 -14.809 0.000) 17.100 18.729 ( 2.011 3.484 -0.000) 4.023 18.860 ( 13.042 22.589 -0.000) 26.083 19.734 ( 2.630 4.556 -0.000) 5.261 19.907 ( 1.758 3.044 -0.000) 3.515 19.969 ( 1.597 2.767 -0.000) 3.195 21.853 ( 6.733 11.661 -0.000) 13.465 22.423 ( 4.155 7.197 -0.000) 8.311 22.427 ( -0.745 -1.291 0.000) 1.490 22.710 ( -13.755 -23.825 -0.000) 27.511 23.570 ( -9.423 -16.321 -0.000) 18.846 24.455 ( -0.775 -1.342 -0.000) 1.550 24.495 ( 1.331 2.305 -0.000) 2.662 24.708 ( 1.544 2.674 -0.000) 3.087 25.051 ( 1.229 2.129 -0.000) 2.458 25.440 ( 2.302 3.988 -0.000) 4.605 25.519 ( 0.271 0.469 -0.000) 0.541 25.657 ( 4.682 8.109 -0.000) 9.363 26.218 ( 4.977 8.620 -0.000) 9.953 27.227 ( 1.864 3.228 -0.000) 3.727 27.301 ( 2.409 4.173 0.000) 4.818 28.284 ( -3.484 -6.035 -0.000) 6.968 34.364 ( -0.852 -1.476 -0.000) 1.705 34.497 ( 1.428 2.474 -0.000) 2.856 34.944 ( -1.627 -2.818 -0.000) 3.253======================= Grid point 682 (183/189) =======================q-point: ( 0.58 0.58 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.412 ( 0.000 -0.953 13.813) 13.846 9.665 ( -0.000 2.939 -9.737) 10.171 9.938 ( -0.000 -16.570 -16.875) 23.650 10.506 ( 0.000 43.292 12.450) 45.046 10.523 ( 0.000 11.615 3.977) 12.277 12.980 ( -0.000 -23.784 -17.474) 29.513 16.912 ( 0.000 -0.568 15.644) 15.654 17.525 ( -0.000 -23.169 0.968) 23.189 17.573 ( -0.000 -20.189 -0.517) 20.196 18.039 ( -0.000 -18.851 2.378) 19.001 18.414 ( -0.000 -6.903 -3.809) 7.884 18.489 ( 0.000 22.792 -6.157) 23.609 18.572 ( -0.000 -8.779 13.385) 16.007 18.883 ( 0.000 -3.054 17.489) 17.754 19.687 ( -0.000 -4.129 -4.208) 5.896 19.878 ( 0.000 1.200 -0.233) 1.222 20.017 ( -0.000 6.870 -20.408) 21.533 21.709 ( 0.000 14.270 -4.898) 15.087 22.351 ( 0.000 9.176 0.426) 9.186 22.370 ( 0.000 8.820 3.224) 9.391 22.881 ( -0.000 -40.631 -3.551) 40.786 24.184 ( -0.000 -7.032 2.996) 7.644 24.225 ( -0.000 -3.914 2.597) 4.697 24.567 ( 0.000 9.497 0.824) 9.533 24.723 ( -0.000 -1.335 1.383) 1.922 24.880 ( -0.000 -0.504 -11.615) 11.626 25.306 ( 0.000 -0.689 4.712) 4.762 25.386 ( 0.000 3.859 -4.576) 5.986 25.779 ( 0.000 10.184 4.617) 11.182 26.092 ( 0.000 10.513 1.250) 10.587 27.159 ( 0.000 1.625 13.369) 13.467 27.283 ( -0.000 7.206 -12.147) 14.124 28.350 ( -0.000 -6.822 0.741) 6.863 34.393 ( -0.000 -0.084 -3.813) 3.814 34.453 ( 0.000 1.246 3.931) 4.124 34.978 ( -0.000 -2.880 -0.819) 2.994======================= Grid point 805 (184/189) =======================q-point: ( 0.42 0.42 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.090 ( 0.000 -0.000 57.850) 57.850 8.090 ( 0.000 -0.000 57.850) 57.850 10.498 ( -0.000 0.000 -49.489) 49.489 10.498 ( -0.000 0.000 -49.489) 49.489 11.624 ( -0.000 0.000 -11.330) 11.330 13.155 ( 0.000 -0.000 72.154) 72.154 16.995 ( -0.000 0.000 -12.832) 12.832 16.995 ( -0.000 0.000 -12.832) 12.832 18.356 ( 0.000 -0.000 22.417) 22.417 18.422 ( 0.000 -0.000 3.573) 3.573 18.422 ( 0.000 -0.000 3.573) 3.573 18.694 ( -0.000 0.000 -2.055) 2.055 18.694 ( -0.000 0.000 -2.055) 2.055 19.727 ( 0.000 -0.000 9.792) 9.792 19.727 ( 0.000 -0.000 9.792) 9.792 20.215 ( -0.000 0.000 -17.717) 17.717 20.283 ( -0.000 0.000 -41.162) 41.162 20.899 ( -0.000 0.000 -1.083) 1.083 22.110 ( -0.000 0.000 -6.661) 6.661 22.110 ( -0.000 0.000 -6.661) 6.661 24.052 ( 0.000 -0.000 0.194) 0.194 24.400 ( 0.000 -0.000 11.207) 11.207 24.400 ( 0.000 -0.000 11.207) 11.207 24.612 ( 0.000 -0.000 0.165) 0.165 24.756 ( 0.000 -0.000 7.514) 7.514 24.756 ( 0.000 -0.000 7.514) 7.514 25.231 ( -0.000 0.000 -1.056) 1.056 25.231 ( -0.000 0.000 -1.056) 1.056 25.457 ( -0.000 0.000 -9.725) 9.725 25.457 ( -0.000 0.000 -9.725) 9.725 26.668 ( 0.000 -0.000 18.117) 18.117 27.348 ( -0.000 0.000 -13.450) 13.450 28.594 ( 0.000 -0.000 1.200) 1.200 34.356 ( 0.000 -0.000 3.186) 3.186 34.356 ( 0.000 -0.000 3.186) 3.186 35.124 ( -0.000 0.000 -2.614) 2.614======================= Grid point 806 (185/189) =======================q-point: ( 0.50 0.42 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 474Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.514 ( 6.914 3.992 51.930) 52.540 8.673 ( 16.150 9.324 49.662) 53.048 10.148 ( -0.150 -0.087 -45.069) 45.069 10.271 ( 6.502 3.754 -46.461) 47.063 11.360 ( -17.280 -9.977 -7.827) 21.434 13.459 ( -10.025 -5.788 45.758) 47.200 17.011 ( 4.113 2.374 -14.558) 15.313 17.059 ( 15.235 8.796 3.853) 18.009 18.319 ( -10.188 -5.882 1.422) 11.850 18.345 ( -10.432 -6.023 5.274) 13.150 18.427 ( -3.746 -2.162 10.139) 11.023 18.597 ( -5.566 -3.213 4.142) 7.645 18.709 ( 1.099 0.634 -1.956) 2.331 19.613 ( -12.148 -7.014 -1.344) 14.091 19.743 ( -2.376 -1.372 8.393) 8.830 20.069 ( -3.177 -1.834 -13.974) 14.447 20.080 ( 0.873 0.504 -27.047) 27.066 21.049 ( 11.951 6.900 0.419) 13.807 22.094 ( 2.945 1.700 -3.563) 4.925 22.133 ( 4.348 2.510 -5.686) 7.585 24.106 ( 4.370 2.523 0.209) 5.050 24.231 ( -21.121 -12.194 6.180) 25.159 24.466 ( -0.700 -0.404 6.800) 6.848 24.494 ( -5.418 -3.128 0.295) 6.263 24.765 ( -0.979 -0.565 8.372) 8.448 24.797 ( -1.876 -1.083 2.164) 3.062 25.249 ( 2.558 1.477 -0.076) 2.954 25.253 ( 2.145 1.239 -3.621) 4.388 25.450 ( 4.816 2.780 -3.922) 6.805 25.599 ( 13.015 7.514 -6.142) 16.235 26.826 ( 3.574 2.063 16.934) 17.430 27.273 ( 1.248 0.720 -13.779) 13.854 28.567 ( -2.877 -1.661 0.799) 3.417 34.358 ( -0.639 -0.369 3.415) 3.494 34.401 ( 1.628 0.940 0.853) 2.065 35.092 ( -1.480 -0.855 -1.730) 2.432======================= Grid point 807 (186/189) =======================q-point: ( 0.58 0.42 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.054 ( 13.040 7.529 36.785) 39.748 9.387 ( 14.091 8.136 43.127) 46.094 9.980 ( 15.960 9.214 -42.495) 46.319 10.173 ( 7.945 4.587 -36.405) 37.544 10.788 ( -26.870 -15.514 -2.348) 31.116 13.325 ( -19.321 -11.155 22.097) 31.401 16.988 ( 2.687 1.551 -15.971) 16.269 17.666 ( 25.108 14.496 16.516) 33.366 17.999 ( -19.923 -11.502 0.887) 23.022 18.035 ( -10.882 -6.282 -0.114) 12.565 18.330 ( -9.300 -5.369 3.899) 11.425 18.515 ( -5.815 -3.357 6.659) 9.456 18.704 ( -0.586 -0.338 -3.810) 3.870 19.253 ( -14.760 -8.521 -10.452) 19.993 19.730 ( -3.062 -1.768 6.286) 7.213 19.920 ( -2.735 -1.579 -7.201) 7.863 19.945 ( -0.780 -0.450 -9.591) 9.633 21.374 ( 14.583 8.420 2.258) 16.990 22.188 ( 6.374 3.680 -1.245) 7.465 22.228 ( 6.782 3.915 -4.428) 8.996 23.636 ( -31.796 -18.357 3.149) 36.849 24.223 ( 4.320 2.494 0.483) 5.012 24.354 ( -6.969 -4.023 -1.102) 8.122 24.472 ( 0.341 0.197 0.158) 0.425 24.756 ( -1.461 -0.844 -0.510) 1.762 24.815 ( -0.210 -0.121 9.889) 9.892 25.294 ( 2.933 1.693 0.139) 3.390 25.308 ( 2.024 1.169 -1.113) 2.589 25.597 ( 8.853 5.111 -2.783) 10.595 25.863 ( 12.200 7.044 -3.464) 14.507 27.046 ( 5.796 3.346 15.627) 17.000 27.216 ( 1.916 1.106 -14.434) 14.603 28.479 ( -4.990 -2.881 0.227) 5.766 34.371 ( -0.249 -0.144 3.645) 3.657 34.438 ( 1.724 0.995 -1.649) 2.585 35.037 ( -2.519 -1.454 -0.570) 2.964======================= Grid point 819 (187/189) =======================q-point: ( 0.50 0.50 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 468Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.868 ( 0.000 9.462 33.854) 35.151 8.930 ( 0.000 17.960 42.742) 46.362 9.905 ( -0.000 -0.411 -39.606) 39.609 9.948 ( -0.000 5.414 -31.417) 31.880 11.324 ( -0.000 -19.457 -4.225) 19.911 13.711 ( 0.000 -11.696 22.071) 24.978 16.842 ( -0.000 -1.290 1.693) 2.128 17.161 ( 0.000 24.802 -4.843) 25.271 18.314 ( -0.000 -12.942 1.850) 13.073 18.362 ( -0.000 -11.798 1.636) 11.911 18.512 ( -0.000 -3.865 2.409) 4.554 18.622 ( -0.000 -6.046 4.270) 7.402 18.679 ( 0.000 0.064 0.962) 0.964 19.547 ( -0.000 -18.519 0.149) 18.519 19.815 ( -0.000 -1.147 1.221) 1.675 19.972 ( -0.000 3.653 -13.957) 14.427 19.998 ( -0.000 -3.367 -7.780) 8.478 21.053 ( 0.000 14.626 0.062) 14.626 22.081 ( 0.000 3.805 -0.756) 3.880 22.097 ( 0.000 4.205 -3.741) 5.628 24.109 ( 0.000 5.272 -0.027) 5.272 24.309 ( -0.000 -26.549 -1.999) 26.624 24.454 ( -0.000 -5.644 5.339) 7.769 24.467 ( 0.000 -2.786 5.822) 6.454 24.773 ( -0.000 -2.811 3.954) 4.852 24.876 ( 0.000 2.537 -1.164) 2.791 25.243 ( 0.000 3.756 -2.378) 4.446 25.252 ( 0.000 2.867 -0.613) 2.932 25.421 ( 0.000 4.952 -1.973) 5.330 25.556 ( 0.000 14.599 -1.915) 14.724 26.927 ( 0.000 3.656 14.535) 14.988 27.187 ( -0.000 1.789 -12.880) 13.004 28.570 ( -0.000 -3.396 0.443) 3.425 34.385 ( 0.000 0.522 2.395) 2.452 34.395 ( 0.000 0.571 -0.231) 0.616 35.084 ( -0.000 -1.592 -0.927) 1.842======================= Grid point 820 (188/189) =======================q-point: ( 0.58 0.50 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 438Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 9.138 ( 6.433 11.142 0.000) 12.866 9.510 ( 16.513 28.601 0.000) 33.025 9.678 ( -1.874 -3.246 -0.000) 3.748 9.970 ( 5.452 9.443 -0.000) 10.904 10.943 ( -14.980 -25.946 -0.000) 29.960 13.532 ( -9.763 -16.909 -0.000) 19.525 16.882 ( 0.530 0.919 -0.000) 1.061 17.577 ( 17.538 30.376 -0.000) 35.075 18.018 ( -11.547 -20.001 -0.000) 23.095 18.283 ( -8.771 -15.192 -0.000) 17.542 18.316 ( -3.748 -6.491 -0.000) 7.495 18.560 ( -3.446 -5.969 -0.000) 6.892 18.706 ( 0.280 0.485 -0.000) 0.560 19.292 ( -9.434 -16.339 -0.000) 18.867 19.778 ( -1.422 -2.464 -0.000) 2.845 19.918 ( -1.741 -3.016 -0.000) 3.482 19.931 ( -0.012 -0.020 -0.000) 0.023 21.293 ( 8.891 15.399 -0.000) 17.781 22.159 ( 3.164 5.480 -0.000) 6.328 22.161 ( 3.452 5.980 0.000) 6.905 23.897 ( -15.771 -27.316 -0.000) 31.542 24.165 ( -1.745 -3.022 -0.000) 3.489 24.290 ( -2.265 -3.923 -0.000) 4.530 24.505 ( -0.596 -1.032 -0.000) 1.192 24.730 ( -1.313 -2.275 -0.000) 2.626 24.929 ( 2.081 3.604 -0.000) 4.162 25.281 ( 2.032 3.519 -0.000) 4.064 25.348 ( 3.763 6.517 -0.000) 7.525 25.459 ( 1.662 2.879 -0.000) 3.324 25.783 ( 7.654 13.257 -0.000) 15.308 27.078 ( 3.409 5.904 -0.000) 6.818 27.142 ( 0.664 1.150 0.000) 1.328 28.508 ( -2.666 -4.618 -0.000) 5.332 34.390 ( -0.043 -0.074 -0.000) 0.085 34.418 ( 0.840 1.455 -0.000) 1.681 35.050 ( -1.277 -2.212 -0.000) 2.554======================= Grid point 976 (189/189) =======================q-point: (-0.50 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 8.897 ( -0.000 0.000 -0.000) 0.000 8.897 ( -0.000 0.000 -0.000) 0.000 9.775 ( 0.000 -0.000 0.000) 0.000 9.775 ( 0.000 -0.000 0.000) 0.000 11.509 ( 0.000 -0.000 0.000) 0.000 13.932 ( -0.000 0.000 -0.000) 0.000 16.860 ( 0.000 -0.000 0.000) 0.000 16.860 ( 0.000 -0.000 0.000) 0.000 18.459 ( 0.000 -0.000 0.000) 0.000 18.459 ( 0.000 -0.000 0.000) 0.000 18.607 ( 0.000 -0.000 0.000) 0.000 18.672 ( 0.000 -0.000 0.000) 0.000 18.672 ( 0.000 -0.000 0.000) 0.000 19.816 ( 0.000 -0.000 0.000) 0.000 19.832 ( 0.000 -0.000 0.000) 0.000 19.832 ( 0.000 -0.000 0.000) 0.000 20.010 ( 0.000 -0.000 0.000) 0.000 20.890 ( 0.000 -0.000 0.000) 0.000 22.040 ( 0.000 -0.000 0.000) 0.000 22.040 ( 0.000 -0.000 0.000) 0.000 24.054 ( 0.000 -0.000 0.000) 0.000 24.519 ( 0.000 -0.000 0.000) 0.000 24.519 ( 0.000 -0.000 0.000) 0.000 24.614 ( 0.000 -0.000 0.000) 0.000 24.846 ( 0.000 -0.000 0.000) 0.000 24.846 ( 0.000 -0.000 0.000) 0.000 25.197 ( 0.000 -0.000 0.000) 0.000 25.197 ( 0.000 -0.000 0.000) 0.000 25.361 ( 0.000 -0.000 0.000) 0.000 25.361 ( 0.000 -0.000 0.000) 0.000 26.941 ( 0.000 -0.000 0.000) 0.000 27.122 ( 0.000 -0.000 0.000) 0.000 28.606 ( 0.000 -0.000 0.000) 0.000 34.388 ( 0.000 -0.000 0.000) 0.000 34.388 ( 0.000 -0.000 0.000) 0.000 35.097 ( 0.000 -0.000 0.000) 0.000=================== 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 3/62208 10.0 115.284 115.284 64.935 0.000 -0.000 0.000 3/62208 20.0 1663.179 1663.179 1348.522 0.000 -0.000 0.000 3/62208 30.0 1972.000 1972.000 2233.668 0.000 -0.000 0.000 3/62208 40.0 1424.010 1424.010 1928.574 0.000 -0.000 0.000 3/62208 50.0 1003.521 1003.521 1432.534 0.000 -0.000 0.000 3/62208 60.0 734.821 734.821 1066.077 0.000 -0.000 0.000 3/62208 70.0 563.409 563.409 825.828 0.000 -0.000 0.000 3/62208 80.0 450.955 450.955 670.274 0.000 -0.000 0.000 3/62208 90.0 372.948 372.948 563.719 0.000 -0.000 0.000 3/62208 100.0 315.276 315.276 484.890 0.000 -0.000 0.000 3/62208 110.0 270.323 270.323 422.702 0.000 -0.000 0.000 3/62208 120.0 234.022 234.022 371.558 0.000 -0.000 0.000 3/62208 130.0 204.108 204.108 328.553 0.000 -0.000 0.000 3/62208 140.0 179.192 179.192 292.025 0.000 -0.000 0.000 3/62208 150.0 158.317 158.317 260.871 0.000 -0.000 0.000 3/62208 160.0 140.757 140.757 234.254 0.000 -0.000 0.000 3/62208 170.0 125.932 125.932 211.477 0.000 -0.000 0.000 3/62208 180.0 113.368 113.368 191.946 0.000 -0.000 0.000 3/62208 190.0 102.674 102.674 175.151 0.000 -0.000 0.000 3/62208 200.0 93.529 93.529 160.656 0.000 -0.000 0.000 3/62208 210.0 85.669 85.669 148.094 0.000 -0.000 0.000 3/62208 220.0 78.878 78.878 137.160 0.000 -0.000 0.000 3/62208 230.0 72.979 72.979 127.595 0.000 -0.000 0.000 3/62208 240.0 67.829 67.829 119.189 0.000 -0.000 0.000 3/62208 250.0 63.308 63.308 111.765 0.000 -0.000 0.000 3/62208 260.0 59.320 59.320 105.177 0.000 -0.000 0.000 3/62208 270.0 55.784 55.784 99.303 0.000 -0.000 0.000 3/62208 280.0 52.634 52.634 94.042 0.000 -0.000 0.000 3/62208 290.0 49.814 49.814 89.310 0.000 -0.000 0.000 3/62208 300.0 47.280 47.280 85.036 0.000 -0.000 0.000 3/62208 310.0 44.992 44.992 81.159 0.000 -0.000 0.000 3/62208 320.0 42.919 42.919 77.631 0.000 -0.000 0.000 3/62208 330.0 41.033 41.033 74.408 0.000 -0.000 0.000 3/62208 340.0 39.311 39.311 71.453 0.000 -0.000 0.000 3/62208 350.0 37.734 37.734 68.735 0.000 -0.000 0.000 3/62208 360.0 36.284 36.284 66.229 0.000 -0.000 0.000 3/62208 370.0 34.947 34.947 63.909 0.000 -0.000 0.000 3/62208 380.0 33.712 33.712 61.758 0.000 -0.000 0.000 3/62208 390.0 32.566 32.566 59.757 0.000 -0.000 0.000 3/62208 400.0 31.501 31.501 57.891 0.000 -0.000 0.000 3/62208 410.0 30.508 30.508 56.148 0.000 -0.000 0.000 3/62208 420.0 29.581 29.581 54.514 0.000 -0.000 0.000 3/62208 430.0 28.714 28.714 52.982 0.000 -0.000 0.000 3/62208 440.0 27.900 27.900 51.540 0.000 -0.000 0.000 3/62208 450.0 27.134 27.134 50.181 0.000 -0.000 0.000 3/62208 460.0 26.414 26.414 48.899 0.000 -0.000 0.000 3/62208 470.0 25.734 25.734 47.687 0.000 -0.000 0.000 3/62208 480.0 25.091 25.091 46.538 0.000 -0.000 0.000 3/62208 490.0 24.483 24.483 45.449 0.000 -0.000 0.000 3/62208 500.0 23.906 23.906 44.415 0.000 -0.000 0.000 3/62208 510.0 23.358 23.358 43.430 0.000 -0.000 0.000 3/62208 520.0 22.838 22.838 42.493 0.000 -0.000 0.000 3/62208 530.0 22.342 22.342 41.599 0.000 -0.000 0.000 3/62208 540.0 21.869 21.869 40.745 0.000 -0.000 0.000 3/62208 550.0 21.418 21.418 39.929 0.000 -0.000 0.000 3/62208 560.0 20.987 20.987 39.148 0.000 -0.000 0.000 3/62208 570.0 20.574 20.574 38.400 0.000 -0.000 0.000 3/62208 580.0 20.179 20.179 37.682 0.000 -0.000 0.000 3/62208 590.0 19.800 19.800 36.993 0.000 -0.000 0.000 3/62208 600.0 19.437 19.437 36.331 0.000 -0.000 0.000 3/62208 610.0 19.088 19.088 35.695 0.000 -0.000 0.000 3/62208 620.0 18.752 18.752 35.082 0.000 -0.000 0.000 3/62208 630.0 18.429 18.429 34.492 0.000 -0.000 0.000 3/62208 640.0 18.118 18.118 33.923 0.000 -0.000 0.000 3/62208 650.0 17.818 17.818 33.374 0.000 -0.000 0.000 3/62208 660.0 17.529 17.529 32.845 0.000 -0.000 0.000 3/62208 670.0 17.250 17.250 32.333 0.000 -0.000 0.000 3/62208 680.0 16.981 16.981 31.838 0.000 -0.000 0.000 3/62208 690.0 16.720 16.720 31.359 0.000 -0.000 0.000 3/62208 700.0 16.468 16.468 30.896 0.000 -0.000 0.000 3/62208 710.0 16.224 16.224 30.447 0.000 -0.000 0.000 3/62208 720.0 15.988 15.988 30.012 0.000 -0.000 0.000 3/62208 730.0 15.759 15.759 29.590 0.000 -0.000 0.000 3/62208 740.0 15.537 15.537 29.181 0.000 -0.000 0.000 3/62208 750.0 15.322 15.322 28.784 0.000 -0.000 0.000 3/62208 760.0 15.113 15.113 28.399 0.000 -0.000 0.000 3/62208 770.0 14.911 14.911 28.024 0.000 -0.000 0.000 3/62208 780.0 14.714 14.714 27.660 0.000 -0.000 0.000 3/62208 790.0 14.522 14.522 27.306 0.000 -0.000 0.000 3/62208 800.0 14.336 14.336 26.961 0.000 -0.000 0.000 3/62208 810.0 14.155 14.155 26.625 0.000 -0.000 0.000 3/62208 820.0 13.979 13.979 26.299 0.000 -0.000 0.000 3/62208 830.0 13.807 13.807 25.981 0.000 -0.000 0.000 3/62208 840.0 13.640 13.640 25.671 0.000 -0.000 0.000 3/62208 850.0 13.477 13.477 25.368 0.000 -0.000 0.000 3/62208 860.0 13.318 13.318 25.074 0.000 -0.000 0.000 3/62208 870.0 13.163 13.163 24.786 0.000 -0.000 0.000 3/62208 880.0 13.012 13.012 24.505 0.000 -0.000 0.000 3/62208 890.0 12.865 12.865 24.231 0.000 -0.000 0.000 3/62208 900.0 12.721 12.721 23.964 0.000 -0.000 0.000 3/62208 910.0 12.581 12.581 23.702 0.000 -0.000 0.000 3/62208 920.0 12.443 12.443 23.447 0.000 -0.000 0.000 3/62208 930.0 12.309 12.309 23.197 0.000 -0.000 0.000 3/62208 940.0 12.178 12.178 22.953 0.000 -0.000 0.000 3/62208 950.0 12.050 12.050 22.715 0.000 -0.000 0.000 3/62208 960.0 11.925 11.925 22.481 0.000 -0.000 0.000 3/62208 970.0 11.802 11.802 22.253 0.000 -0.000 0.000 3/62208 980.0 11.682 11.682 22.029 0.000 -0.000 0.000 3/62208 990.0 11.565 11.565 21.810 0.000 -0.000 0.000 3/62208 1000.0 11.450 11.450 21.596 0.000 -0.000 0.000 3/62208Thermal conductivity related properties were written into "kappa-m121212.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 18:34:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|