----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:00:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.777176020611387 0.000000000000000 0.000000000000000 b 0.000000000000000 6.398027570000002 0.000000000000000 c -0.732461866882869 0.000000000000000 8.664180621800734 Atomic positions (fractional): *1 O 0.25085969367020 0.13839900420323 0.59115394753351 15.999 2 O 0.74914030632980 0.63839900420323 0.90884605246649 15.999 3 O 0.74914030632980 0.86160099579677 0.40884605246649 15.999 4 O 0.25085969367020 0.36160099579677 0.09115394753351 15.999 *5 O 0.15552637816583 0.49068953370520 0.68592950310539 15.999 6 O 0.84447362183417 0.99068953370520 0.81407049689461 15.999 7 O 0.84447362183417 0.50931046629480 0.31407049689461 15.999 8 O 0.15552637816583 0.00931046629480 0.18592950310539 15.999 *9 O 0.12471271738057 0.13448154632469 0.87423437177752 15.999 *10 O 0.02074423887938 0.80882597857550 0.42139749042361 15.999 11 O 0.87528728261943 0.86551845367531 0.12576562822248 15.999 12 O 0.12471271738057 0.36551845367531 0.37423437177752 15.999 13 O 0.02074423887938 0.69117402142450 0.92139749042361 15.999 14 O 0.97925576112062 0.19117402142449 0.57860250957639 15.999 15 O 0.97925576112062 0.30882597857550 0.07860250957639 15.999 16 O 0.87528728261943 0.63448154632469 0.62576562822248 15.999 *17 Si 0.12550907929684 0.19059360187031 0.05723173636456 28.085 18 Si 0.87449092070316 0.80940639812969 0.94276826363544 28.085 19 Si 0.87449092070316 0.69059360187031 0.44276826363544 28.085 20 Si 0.12550907929684 0.30940639812969 0.55723173636456 28.085 *21 Te 0.59383077403659 0.28913253139788 0.61587579905753 127.600 22 Te 0.40616922596341 0.78913253139788 0.88412420094247 127.600 23 Te 0.40616922596341 0.71086746860212 0.38412420094247 127.600 24 Te 0.59383077403659 0.21086746860212 0.11587579905753 127.600 *25 Nd 0.65248449776826 0.69487906396080 0.16438972793486 144.242 26 Nd 0.65248449776826 0.80512093603920 0.66438972793486 144.242 27 Nd 0.34751550223174 0.30512093603920 0.83561027206514 144.242 28 Nd 0.34751550223174 0.19487906396080 0.33561027206514 144.242 *29 Nd 0.10460016659498 0.84938382538787 0.69360260070664 144.242 30 Nd 0.89539983340502 0.34938382538787 0.80639739929336 144.242 31 Nd 0.89539983340502 0.15061617461213 0.30639739929336 144.242 32 Nd 0.10460016659498 0.65061617461213 0.19360260070664 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.777176020611387 0.000000000000000 0.000000000000000 b 0.000000000000000 6.398027570000002 0.000000000000000 c -0.732461866882869 0.000000000000000 8.664180621800734 Atomic positions (fractional): *1 O 0.25085969367020 0.13839900420323 0.59115394753351 15.999 > 1 2 O 0.74914030632980 0.63839900420323 0.90884605246649 15.999 > 2 3 O 0.74914030632980 0.86160099579677 0.40884605246649 15.999 > 3 4 O 0.25085969367020 0.36160099579677 0.09115394753351 15.999 > 4 *5 O 0.15552637816583 0.49068953370520 0.68592950310539 15.999 > 5 6 O 0.84447362183417 0.99068953370520 0.81407049689461 15.999 > 6 7 O 0.84447362183417 0.50931046629480 0.31407049689461 15.999 > 7 8 O 0.15552637816583 0.00931046629480 0.18592950310539 15.999 > 8 *9 O 0.12471271738057 0.13448154632469 0.87423437177752 15.999 > 9 *10 O 0.02074423887938 0.80882597857550 0.42139749042361 15.999 > 10 11 O 0.87528728261943 0.86551845367531 0.12576562822248 15.999 > 11 12 O 0.12471271738057 0.36551845367531 0.37423437177752 15.999 > 12 13 O 0.02074423887938 0.69117402142450 0.92139749042361 15.999 > 13 14 O 0.97925576112062 0.19117402142449 0.57860250957639 15.999 > 14 15 O 0.97925576112062 0.30882597857550 0.07860250957639 15.999 > 15 16 O 0.87528728261943 0.63448154632469 0.62576562822248 15.999 > 16 *17 Si 0.12550907929684 0.19059360187031 0.05723173636456 28.085 > 17 18 Si 0.87449092070316 0.80940639812969 0.94276826363544 28.085 > 18 19 Si 0.87449092070316 0.69059360187031 0.44276826363544 28.085 > 19 20 Si 0.12550907929684 0.30940639812969 0.55723173636456 28.085 > 20 *21 Te 0.59383077403659 0.28913253139788 0.61587579905753 127.600 > 21 22 Te 0.40616922596341 0.78913253139788 0.88412420094247 127.600 > 22 23 Te 0.40616922596341 0.71086746860212 0.38412420094247 127.600 > 23 24 Te 0.59383077403659 0.21086746860212 0.11587579905753 127.600 > 24 *25 Nd 0.65248449776826 0.69487906396080 0.16438972793486 144.242 > 25 26 Nd 0.65248449776826 0.80512093603920 0.66438972793486 144.242 > 26 27 Nd 0.34751550223174 0.30512093603920 0.83561027206514 144.242 > 27 28 Nd 0.34751550223174 0.19487906396080 0.33561027206514 144.242 > 28 *29 Nd 0.10460016659498 0.84938382538787 0.69360260070664 144.242 > 29 30 Nd 0.89539983340502 0.34938382538787 0.80639739929336 144.242 > 30 31 Nd 0.89539983340502 0.15061617461213 0.30639739929336 144.242 > 31 32 Nd 0.10460016659498 0.65061617461213 0.19360260070664 144.242 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.777176020611387 0.000000000000000 0.000000000000000 b 0.000000000000000 12.796055140000004 0.000000000000000 c -1.464923733765738 0.000000000000000 17.328361243601467 Atomic positions (fractional): *1 O 0.25085969367020 0.06919950210161 0.29557697376676 15.999 > 1 2 O 0.25085969367020 0.56919950210161 0.29557697376676 15.999 > 1 3 O 0.25085969367020 0.06919950210161 0.79557697376676 15.999 > 1 4 O 0.25085969367020 0.56919950210161 0.79557697376676 15.999 > 1 5 O 0.74914030632980 0.31919950210161 0.45442302623324 15.999 > 2 6 O 0.74914030632980 0.81919950210161 0.45442302623324 15.999 > 2 7 O 0.74914030632980 0.31919950210161 0.95442302623324 15.999 > 2 8 O 0.74914030632980 0.81919950210161 0.95442302623324 15.999 > 2 9 O 0.74914030632980 0.43080049789839 0.20442302623324 15.999 > 3 10 O 0.74914030632980 0.93080049789839 0.20442302623324 15.999 > 3 11 O 0.74914030632980 0.43080049789839 0.70442302623324 15.999 > 3 12 O 0.74914030632980 0.93080049789839 0.70442302623324 15.999 > 3 13 O 0.25085969367020 0.18080049789839 0.04557697376675 15.999 > 4 14 O 0.25085969367020 0.68080049789839 0.04557697376675 15.999 > 4 15 O 0.25085969367020 0.18080049789839 0.54557697376675 15.999 > 4 16 O 0.25085969367020 0.68080049789839 0.54557697376675 15.999 > 4 *17 O 0.15552637816583 0.24534476685260 0.34296475155270 15.999 > 5 18 O 0.15552637816583 0.74534476685260 0.34296475155270 15.999 > 5 19 O 0.15552637816583 0.24534476685260 0.84296475155270 15.999 > 5 20 O 0.15552637816583 0.74534476685260 0.84296475155270 15.999 > 5 21 O 0.84447362183417 0.49534476685260 0.40703524844730 15.999 > 6 22 O 0.84447362183417 0.99534476685260 0.40703524844730 15.999 > 6 23 O 0.84447362183417 0.49534476685260 0.90703524844730 15.999 > 6 24 O 0.84447362183417 0.99534476685260 0.90703524844730 15.999 > 6 25 O 0.84447362183417 0.25465523314740 0.15703524844730 15.999 > 7 26 O 0.84447362183417 0.75465523314740 0.15703524844730 15.999 > 7 27 O 0.84447362183417 0.25465523314740 0.65703524844730 15.999 > 7 28 O 0.84447362183417 0.75465523314740 0.65703524844730 15.999 > 7 29 O 0.15552637816583 0.00465523314740 0.09296475155270 15.999 > 8 30 O 0.15552637816583 0.50465523314740 0.09296475155270 15.999 > 8 31 O 0.15552637816583 0.00465523314740 0.59296475155270 15.999 > 8 32 O 0.15552637816583 0.50465523314740 0.59296475155270 15.999 > 8 *33 O 0.12471271738057 0.06724077316234 0.43711718588876 15.999 > 9 34 O 0.12471271738057 0.56724077316234 0.43711718588876 15.999 > 9 35 O 0.12471271738057 0.06724077316234 0.93711718588876 15.999 > 9 36 O 0.12471271738057 0.56724077316234 0.93711718588876 15.999 > 9 *37 O 0.02074423887938 0.40441298928775 0.21069874521180 15.999 > 10 38 O 0.02074423887938 0.90441298928775 0.21069874521180 15.999 > 10 39 O 0.02074423887938 0.40441298928775 0.71069874521180 15.999 > 10 40 O 0.02074423887938 0.90441298928775 0.71069874521180 15.999 > 10 41 O 0.87528728261943 0.43275922683766 0.06288281411124 15.999 > 11 42 O 0.87528728261943 0.93275922683766 0.06288281411124 15.999 > 11 43 O 0.87528728261943 0.43275922683766 0.56288281411124 15.999 > 11 44 O 0.87528728261943 0.93275922683766 0.56288281411124 15.999 > 11 45 O 0.12471271738057 0.18275922683766 0.18711718588876 15.999 > 12 46 O 0.12471271738057 0.68275922683766 0.18711718588876 15.999 > 12 47 O 0.12471271738057 0.18275922683766 0.68711718588876 15.999 > 12 48 O 0.12471271738057 0.68275922683766 0.68711718588876 15.999 > 12 49 O 0.02074423887938 0.34558701071225 0.46069874521180 15.999 > 13 50 O 0.02074423887938 0.84558701071225 0.46069874521180 15.999 > 13 51 O 0.02074423887938 0.34558701071225 0.96069874521180 15.999 > 13 52 O 0.02074423887938 0.84558701071225 0.96069874521180 15.999 > 13 53 O 0.97925576112062 0.09558701071225 0.28930125478820 15.999 > 14 54 O 0.97925576112062 0.59558701071225 0.28930125478820 15.999 > 14 55 O 0.97925576112062 0.09558701071225 0.78930125478820 15.999 > 14 56 O 0.97925576112062 0.59558701071225 0.78930125478820 15.999 > 14 57 O 0.97925576112062 0.15441298928775 0.03930125478820 15.999 > 15 58 O 0.97925576112062 0.65441298928775 0.03930125478820 15.999 > 15 59 O 0.97925576112062 0.15441298928775 0.53930125478820 15.999 > 15 60 O 0.97925576112062 0.65441298928775 0.53930125478820 15.999 > 15 61 O 0.87528728261943 0.31724077316234 0.31288281411124 15.999 > 16 62 O 0.87528728261943 0.81724077316234 0.31288281411124 15.999 > 16 63 O 0.87528728261943 0.31724077316234 0.81288281411124 15.999 > 16 64 O 0.87528728261943 0.81724077316234 0.81288281411124 15.999 > 16 *65 Si 0.12550907929684 0.09529680093516 0.02861586818228 28.085 > 17 66 Si 0.12550907929684 0.59529680093516 0.02861586818228 28.085 > 17 67 Si 0.12550907929684 0.09529680093516 0.52861586818228 28.085 > 17 68 Si 0.12550907929684 0.59529680093516 0.52861586818228 28.085 > 17 69 Si 0.87449092070316 0.40470319906484 0.47138413181772 28.085 > 18 70 Si 0.87449092070316 0.90470319906484 0.47138413181772 28.085 > 18 71 Si 0.87449092070316 0.40470319906484 0.97138413181772 28.085 > 18 72 Si 0.87449092070316 0.90470319906484 0.97138413181772 28.085 > 18 73 Si 0.87449092070316 0.34529680093516 0.22138413181772 28.085 > 19 74 Si 0.87449092070316 0.84529680093516 0.22138413181772 28.085 > 19 75 Si 0.87449092070316 0.34529680093516 0.72138413181772 28.085 > 19 76 Si 0.87449092070316 0.84529680093516 0.72138413181772 28.085 > 19 77 Si 0.12550907929684 0.15470319906484 0.27861586818228 28.085 > 20 78 Si 0.12550907929684 0.65470319906484 0.27861586818228 28.085 > 20 79 Si 0.12550907929684 0.15470319906484 0.77861586818228 28.085 > 20 80 Si 0.12550907929684 0.65470319906484 0.77861586818228 28.085 > 20 *81 Te 0.59383077403659 0.14456626569894 0.30793789952876 127.600 > 21 82 Te 0.59383077403659 0.64456626569894 0.30793789952876 127.600 > 21 83 Te 0.59383077403659 0.14456626569894 0.80793789952876 127.600 > 21 84 Te 0.59383077403659 0.64456626569894 0.80793789952876 127.600 > 21 85 Te 0.40616922596341 0.39456626569894 0.44206210047124 127.600 > 22 86 Te 0.40616922596341 0.89456626569894 0.44206210047124 127.600 > 22 87 Te 0.40616922596341 0.39456626569894 0.94206210047124 127.600 > 22 88 Te 0.40616922596341 0.89456626569894 0.94206210047124 127.600 > 22 89 Te 0.40616922596341 0.35543373430106 0.19206210047124 127.600 > 23 90 Te 0.40616922596341 0.85543373430106 0.19206210047124 127.600 > 23 91 Te 0.40616922596341 0.35543373430106 0.69206210047124 127.600 > 23 92 Te 0.40616922596341 0.85543373430106 0.69206210047124 127.600 > 23 93 Te 0.59383077403659 0.10543373430106 0.05793789952876 127.600 > 24 94 Te 0.59383077403659 0.60543373430106 0.05793789952876 127.600 > 24 95 Te 0.59383077403659 0.10543373430106 0.55793789952876 127.600 > 24 96 Te 0.59383077403659 0.60543373430106 0.55793789952876 127.600 > 24 *97 Nd 0.65248449776826 0.34743953198040 0.08219486396743 144.242 > 25 98 Nd 0.65248449776826 0.84743953198040 0.08219486396743 144.242 > 25 99 Nd 0.65248449776826 0.34743953198040 0.58219486396743 144.242 > 25 100 Nd 0.65248449776826 0.84743953198040 0.58219486396743 144.242 > 25 101 Nd 0.65248449776826 0.40256046801960 0.33219486396743 144.242 > 26 102 Nd 0.65248449776826 0.90256046801960 0.33219486396743 144.242 > 26 103 Nd 0.65248449776826 0.40256046801960 0.83219486396743 144.242 > 26 104 Nd 0.65248449776826 0.90256046801960 0.83219486396743 144.242 > 26 105 Nd 0.34751550223174 0.15256046801960 0.41780513603257 144.242 > 27 106 Nd 0.34751550223174 0.65256046801960 0.41780513603257 144.242 > 27 107 Nd 0.34751550223174 0.15256046801960 0.91780513603257 144.242 > 27 108 Nd 0.34751550223174 0.65256046801960 0.91780513603257 144.242 > 27 109 Nd 0.34751550223174 0.09743953198040 0.16780513603257 144.242 > 28 110 Nd 0.34751550223174 0.59743953198040 0.16780513603257 144.242 > 28 111 Nd 0.34751550223174 0.09743953198040 0.66780513603257 144.242 > 28 112 Nd 0.34751550223174 0.59743953198040 0.66780513603257 144.242 > 28 *113 Nd 0.10460016659498 0.42469191269394 0.34680130035332 144.242 > 29 114 Nd 0.10460016659498 0.92469191269394 0.34680130035332 144.242 > 29 115 Nd 0.10460016659498 0.42469191269394 0.84680130035332 144.242 > 29 116 Nd 0.10460016659498 0.92469191269394 0.84680130035332 144.242 > 29 117 Nd 0.89539983340502 0.17469191269394 0.40319869964668 144.242 > 30 118 Nd 0.89539983340502 0.67469191269394 0.40319869964668 144.242 > 30 119 Nd 0.89539983340502 0.17469191269394 0.90319869964668 144.242 > 30 120 Nd 0.89539983340502 0.67469191269394 0.90319869964668 144.242 > 30 121 Nd 0.89539983340502 0.07530808730606 0.15319869964668 144.242 > 31 122 Nd 0.89539983340502 0.57530808730606 0.15319869964668 144.242 > 31 123 Nd 0.89539983340502 0.07530808730606 0.65319869964668 144.242 > 31 124 Nd 0.89539983340502 0.57530808730606 0.65319869964668 144.242 > 31 125 Nd 0.10460016659498 0.32530808730606 0.09680130035332 144.242 > 32 126 Nd 0.10460016659498 0.82530808730606 0.09680130035332 144.242 > 32 127 Nd 0.10460016659498 0.32530808730606 0.59680130035332 144.242 > 32 128 Nd 0.10460016659498 0.82530808730606 0.59680130035332 144.242 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2324212 0.0000000 0.1031777 0.0000000 6.5963543 0.0000000 0.1031872 0.0000000 5.7823262 -------------------------- Born effective charges -------------------------- 1 O -2.3910167 0.0432625 0.1717259 0.0474709 -2.1289444 0.0326018 0.0847451 0.1338398 -2.4925781 2 O -2.3910167 -0.0432625 0.1717259 -0.0474709 -2.1289444 -0.0326018 0.0847451 -0.1338398 -2.4925781 3 O -2.3910167 0.0432625 0.1717259 0.0474709 -2.1289444 0.0326018 0.0847451 0.1338398 -2.4925781 4 O -2.3910167 -0.0432625 0.1717259 -0.0474709 -2.1289444 -0.0326018 0.0847451 -0.1338398 -2.4925781 5 O -2.3044349 0.1587160 -0.3393695 0.0427907 -2.7125289 -0.3697400 -0.4055559 -0.3223613 -1.9431803 6 O -2.3044349 -0.1587160 -0.3393695 -0.0427907 -2.7125289 0.3697400 -0.4055559 0.3223613 -1.9431803 7 O -2.3044349 0.1587160 -0.3393695 0.0427907 -2.7125289 -0.3697400 -0.4055559 -0.3223613 -1.9431803 8 O -2.3044349 -0.1587160 -0.3393695 -0.0427907 -2.7125289 0.3697400 -0.4055559 0.3223613 -1.9431803 9 O -2.6022086 0.0482445 0.0390879 0.0155416 -1.9071822 -0.3536112 0.1159806 -0.3312651 -2.4946204 10 O -2.6079475 -0.1518852 -0.0174374 -0.0979000 -1.8168064 -0.1474078 0.0475057 -0.1511071 -2.4283131 11 O -2.6022086 0.0482445 0.0390879 0.0155416 -1.9071822 -0.3536112 0.1159806 -0.3312651 -2.4946204 12 O -2.6022086 -0.0482445 0.0390879 -0.0155416 -1.9071822 0.3536112 0.1159806 0.3312651 -2.4946204 13 O -2.6079475 0.1518852 -0.0174374 0.0979000 -1.8168064 0.1474078 0.0475057 0.1511071 -2.4283131 14 O -2.6079475 -0.1518852 -0.0174374 -0.0979000 -1.8168064 -0.1474078 0.0475057 -0.1511071 -2.4283131 15 O -2.6079475 0.1518852 -0.0174374 0.0979000 -1.8168064 0.1474078 0.0475057 0.1511071 -2.4283131 16 O -2.6022086 -0.0482445 0.0390879 -0.0155416 -1.9071822 0.3536112 0.1159806 0.3312651 -2.4946204 17 Si 3.5285576 -0.1213903 0.0625825 -0.0497330 2.8549394 -0.0671204 0.0283659 0.0079100 3.4547889 18 Si 3.5285576 -0.1213903 0.0625825 -0.0497330 2.8549394 -0.0671204 0.0283659 0.0079100 3.4547889 19 Si 3.5285576 0.1213903 0.0625825 0.0497330 2.8549394 0.0671204 0.0283659 -0.0079100 3.4547889 20 Si 3.5285576 0.1213903 0.0625825 0.0497330 2.8549394 0.0671204 0.0283659 -0.0079100 3.4547889 21 Te -1.7838269 -0.0703350 -0.1079096 -0.0619473 -2.9974828 -0.0611051 -0.0636214 -0.0856405 -2.0836764 22 Te -1.7838269 0.0703350 -0.1079096 0.0619473 -2.9974828 0.0611051 -0.0636214 0.0856405 -2.0836764 23 Te -1.7838269 -0.0703350 -0.1079096 -0.0619473 -2.9974828 -0.0611051 -0.0636214 -0.0856405 -2.0836764 24 Te -1.7838269 0.0703350 -0.1079096 0.0619473 -2.9974828 0.0611051 -0.0636214 0.0856405 -2.0836764 25 Nd 3.5584281 0.0357380 -0.0073166 0.0983766 4.3639780 -0.1008876 0.0720661 -0.1684284 3.9578202 26 Nd 3.5584281 -0.0357380 -0.0073166 -0.0983766 4.3639780 0.1008876 0.0720661 0.1684284 3.9578202 27 Nd 3.5584281 0.0357380 -0.0073166 0.0983766 4.3639780 -0.1008876 0.0720661 -0.1684284 3.9578202 28 Nd 3.5584281 -0.0357380 -0.0073166 -0.0983766 4.3639780 0.1008876 0.0720661 0.1684284 3.9578202 29 Nd 4.6024488 0.2358596 0.1986367 0.0733244 4.3440272 0.1531237 0.1205140 0.0711502 4.0297590 30 Nd 4.6024488 -0.2358596 0.1986367 -0.0733244 4.3440272 -0.1531237 0.1205140 -0.0711502 4.0297590 31 Nd 4.6024488 0.2358596 0.1986367 0.0733244 4.3440272 0.1531237 0.1205140 0.0711502 4.0297590 32 Nd 4.6024488 -0.2358596 0.1986367 -0.0733244 4.3440272 -0.1531237 0.1205140 -0.0711502 4.0297590 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.387 Solver_block: 200 / 960 - Time: 1.283 Solver_block: 300 / 960 - Time: 1.279 Solver_block: 400 / 960 - Time: 1.289 Solver_block: 500 / 960 - Time: 1.285 Solver_block: 600 / 960 - Time: 1.290 Solver_block: 700 / 960 - Time: 1.288 Solver_block: 800 / 960 - Time: 1.279 Solver_block: 900 / 960 - Time: 1.290 Solver_block: 960 / 960 - Time: 0.811 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.799 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:01:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:01:40]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.777176020611387 0.000000000000000 0.000000000000000 b 0.000000000000000 6.398027570000002 0.000000000000000 c -0.732461866882869 0.000000000000000 8.664180621800734 Atomic positions (fractional): 1 O 0.25085969367020 0.13839900420323 0.59115394753351 15.999 2 O 0.74914030632980 0.63839900420323 0.90884605246649 15.999 3 O 0.74914030632980 0.86160099579677 0.40884605246649 15.999 4 O 0.25085969367020 0.36160099579677 0.09115394753351 15.999 5 O 0.15552637816583 0.49068953370520 0.68592950310539 15.999 6 O 0.84447362183417 0.99068953370520 0.81407049689461 15.999 7 O 0.84447362183417 0.50931046629480 0.31407049689461 15.999 8 O 0.15552637816583 0.00931046629480 0.18592950310539 15.999 9 O 0.12471271738057 0.13448154632469 0.87423437177752 15.999 10 O 0.02074423887938 0.80882597857550 0.42139749042361 15.999 11 O 0.87528728261943 0.86551845367531 0.12576562822248 15.999 12 O 0.12471271738057 0.36551845367531 0.37423437177752 15.999 13 O 0.02074423887938 0.69117402142450 0.92139749042361 15.999 14 O 0.97925576112062 0.19117402142449 0.57860250957639 15.999 15 O 0.97925576112062 0.30882597857550 0.07860250957639 15.999 16 O 0.87528728261943 0.63448154632469 0.62576562822248 15.999 17 Si 0.12550907929684 0.19059360187031 0.05723173636456 28.085 18 Si 0.87449092070316 0.80940639812969 0.94276826363544 28.085 19 Si 0.87449092070316 0.69059360187031 0.44276826363544 28.085 20 Si 0.12550907929684 0.30940639812969 0.55723173636456 28.085 21 Te 0.59383077403659 0.28913253139788 0.61587579905753 127.600 22 Te 0.40616922596341 0.78913253139788 0.88412420094247 127.600 23 Te 0.40616922596341 0.71086746860212 0.38412420094247 127.600 24 Te 0.59383077403659 0.21086746860212 0.11587579905753 127.600 25 Nd 0.65248449776826 0.69487906396080 0.16438972793486 144.242 26 Nd 0.65248449776826 0.80512093603920 0.66438972793486 144.242 27 Nd 0.34751550223174 0.30512093603920 0.83561027206514 144.242 28 Nd 0.34751550223174 0.19487906396080 0.33561027206514 144.242 29 Nd 0.10460016659498 0.84938382538787 0.69360260070664 144.242 30 Nd 0.89539983340502 0.34938382538787 0.80639739929336 144.242 31 Nd 0.89539983340502 0.15061617461213 0.30639739929336 144.242 32 Nd 0.10460016659498 0.65061617461213 0.19360260070664 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.777176020611387 0.000000000000000 0.000000000000000 b 0.000000000000000 12.796055140000004 0.000000000000000 c -1.464923733765738 0.000000000000000 17.328361243601467 Atomic positions (fractional): 1 O 0.25085969367020 0.06919950210161 0.29557697376676 15.999 > 1 2 O 0.25085969367020 0.56919950210161 0.29557697376676 15.999 > 1 3 O 0.25085969367020 0.06919950210161 0.79557697376676 15.999 > 1 4 O 0.25085969367020 0.56919950210161 0.79557697376676 15.999 > 1 5 O 0.74914030632980 0.31919950210161 0.45442302623324 15.999 > 5 6 O 0.74914030632980 0.81919950210161 0.45442302623324 15.999 > 5 7 O 0.74914030632980 0.31919950210161 0.95442302623324 15.999 > 5 8 O 0.74914030632980 0.81919950210161 0.95442302623324 15.999 > 5 9 O 0.74914030632980 0.43080049789839 0.20442302623324 15.999 > 9 10 O 0.74914030632980 0.93080049789839 0.20442302623324 15.999 > 9 11 O 0.74914030632980 0.43080049789839 0.70442302623324 15.999 > 9 12 O 0.74914030632980 0.93080049789839 0.70442302623324 15.999 > 9 13 O 0.25085969367020 0.18080049789839 0.04557697376675 15.999 > 13 14 O 0.25085969367020 0.68080049789839 0.04557697376675 15.999 > 13 15 O 0.25085969367020 0.18080049789839 0.54557697376675 15.999 > 13 16 O 0.25085969367020 0.68080049789839 0.54557697376675 15.999 > 13 17 O 0.15552637816583 0.24534476685260 0.34296475155270 15.999 > 17 18 O 0.15552637816583 0.74534476685260 0.34296475155270 15.999 > 17 19 O 0.15552637816583 0.24534476685260 0.84296475155270 15.999 > 17 20 O 0.15552637816583 0.74534476685260 0.84296475155270 15.999 > 17 21 O 0.84447362183417 0.49534476685260 0.40703524844730 15.999 > 21 22 O 0.84447362183417 0.99534476685260 0.40703524844730 15.999 > 21 23 O 0.84447362183417 0.49534476685260 0.90703524844730 15.999 > 21 24 O 0.84447362183417 0.99534476685260 0.90703524844730 15.999 > 21 25 O 0.84447362183417 0.25465523314740 0.15703524844730 15.999 > 25 26 O 0.84447362183417 0.75465523314740 0.15703524844730 15.999 > 25 27 O 0.84447362183417 0.25465523314740 0.65703524844730 15.999 > 25 28 O 0.84447362183417 0.75465523314740 0.65703524844730 15.999 > 25 29 O 0.15552637816583 0.00465523314740 0.09296475155270 15.999 > 29 30 O 0.15552637816583 0.50465523314740 0.09296475155270 15.999 > 29 31 O 0.15552637816583 0.00465523314740 0.59296475155270 15.999 > 29 32 O 0.15552637816583 0.50465523314740 0.59296475155270 15.999 > 29 33 O 0.12471271738057 0.06724077316234 0.43711718588876 15.999 > 33 34 O 0.12471271738057 0.56724077316234 0.43711718588876 15.999 > 33 35 O 0.12471271738057 0.06724077316234 0.93711718588876 15.999 > 33 36 O 0.12471271738057 0.56724077316234 0.93711718588876 15.999 > 33 37 O 0.02074423887938 0.40441298928775 0.21069874521180 15.999 > 37 38 O 0.02074423887938 0.90441298928775 0.21069874521180 15.999 > 37 39 O 0.02074423887938 0.40441298928775 0.71069874521180 15.999 > 37 40 O 0.02074423887938 0.90441298928775 0.71069874521180 15.999 > 37 41 O 0.87528728261943 0.43275922683766 0.06288281411124 15.999 > 41 42 O 0.87528728261943 0.93275922683766 0.06288281411124 15.999 > 41 43 O 0.87528728261943 0.43275922683766 0.56288281411124 15.999 > 41 44 O 0.87528728261943 0.93275922683766 0.56288281411124 15.999 > 41 45 O 0.12471271738057 0.18275922683766 0.18711718588876 15.999 > 45 46 O 0.12471271738057 0.68275922683766 0.18711718588876 15.999 > 45 47 O 0.12471271738057 0.18275922683766 0.68711718588876 15.999 > 45 48 O 0.12471271738057 0.68275922683766 0.68711718588876 15.999 > 45 49 O 0.02074423887938 0.34558701071225 0.46069874521180 15.999 > 49 50 O 0.02074423887938 0.84558701071225 0.46069874521180 15.999 > 49 51 O 0.02074423887938 0.34558701071225 0.96069874521180 15.999 > 49 52 O 0.02074423887938 0.84558701071225 0.96069874521180 15.999 > 49 53 O 0.97925576112062 0.09558701071225 0.28930125478820 15.999 > 53 54 O 0.97925576112062 0.59558701071225 0.28930125478820 15.999 > 53 55 O 0.97925576112062 0.09558701071225 0.78930125478820 15.999 > 53 56 O 0.97925576112062 0.59558701071225 0.78930125478820 15.999 > 53 57 O 0.97925576112062 0.15441298928775 0.03930125478820 15.999 > 57 58 O 0.97925576112062 0.65441298928775 0.03930125478820 15.999 > 57 59 O 0.97925576112062 0.15441298928775 0.53930125478820 15.999 > 57 60 O 0.97925576112062 0.65441298928775 0.53930125478820 15.999 > 57 61 O 0.87528728261943 0.31724077316234 0.31288281411124 15.999 > 61 62 O 0.87528728261943 0.81724077316234 0.31288281411124 15.999 > 61 63 O 0.87528728261943 0.31724077316234 0.81288281411124 15.999 > 61 64 O 0.87528728261943 0.81724077316234 0.81288281411124 15.999 > 61 65 Si 0.12550907929684 0.09529680093516 0.02861586818228 28.085 > 65 66 Si 0.12550907929684 0.59529680093516 0.02861586818228 28.085 > 65 67 Si 0.12550907929684 0.09529680093516 0.52861586818228 28.085 > 65 68 Si 0.12550907929684 0.59529680093516 0.52861586818228 28.085 > 65 69 Si 0.87449092070316 0.40470319906484 0.47138413181772 28.085 > 69 70 Si 0.87449092070316 0.90470319906484 0.47138413181772 28.085 > 69 71 Si 0.87449092070316 0.40470319906484 0.97138413181772 28.085 > 69 72 Si 0.87449092070316 0.90470319906484 0.97138413181772 28.085 > 69 73 Si 0.87449092070316 0.34529680093516 0.22138413181772 28.085 > 73 74 Si 0.87449092070316 0.84529680093516 0.22138413181772 28.085 > 73 75 Si 0.87449092070316 0.34529680093516 0.72138413181772 28.085 > 73 76 Si 0.87449092070316 0.84529680093516 0.72138413181772 28.085 > 73 77 Si 0.12550907929684 0.15470319906484 0.27861586818228 28.085 > 77 78 Si 0.12550907929684 0.65470319906484 0.27861586818228 28.085 > 77 79 Si 0.12550907929684 0.15470319906484 0.77861586818228 28.085 > 77 80 Si 0.12550907929684 0.65470319906484 0.77861586818228 28.085 > 77 81 Te 0.59383077403659 0.14456626569894 0.30793789952876 127.600 > 81 82 Te 0.59383077403659 0.64456626569894 0.30793789952876 127.600 > 81 83 Te 0.59383077403659 0.14456626569894 0.80793789952876 127.600 > 81 84 Te 0.59383077403659 0.64456626569894 0.80793789952876 127.600 > 81 85 Te 0.40616922596341 0.39456626569894 0.44206210047124 127.600 > 85 86 Te 0.40616922596341 0.89456626569894 0.44206210047124 127.600 > 85 87 Te 0.40616922596341 0.39456626569894 0.94206210047124 127.600 > 85 88 Te 0.40616922596341 0.89456626569894 0.94206210047124 127.600 > 85 89 Te 0.40616922596341 0.35543373430106 0.19206210047124 127.600 > 89 90 Te 0.40616922596341 0.85543373430106 0.19206210047124 127.600 > 89 91 Te 0.40616922596341 0.35543373430106 0.69206210047124 127.600 > 89 92 Te 0.40616922596341 0.85543373430106 0.69206210047124 127.600 > 89 93 Te 0.59383077403659 0.10543373430106 0.05793789952876 127.600 > 93 94 Te 0.59383077403659 0.60543373430106 0.05793789952876 127.600 > 93 95 Te 0.59383077403659 0.10543373430106 0.55793789952876 127.600 > 93 96 Te 0.59383077403659 0.60543373430106 0.55793789952876 127.600 > 93 97 Nd 0.65248449776826 0.34743953198040 0.08219486396743 144.242 > 97 98 Nd 0.65248449776826 0.84743953198040 0.08219486396743 144.242 > 97 99 Nd 0.65248449776826 0.34743953198040 0.58219486396743 144.242 > 97 100 Nd 0.65248449776826 0.84743953198040 0.58219486396743 144.242 > 97 101 Nd 0.65248449776826 0.40256046801960 0.33219486396743 144.242 > 101 102 Nd 0.65248449776826 0.90256046801960 0.33219486396743 144.242 > 101 103 Nd 0.65248449776826 0.40256046801960 0.83219486396743 144.242 > 101 104 Nd 0.65248449776826 0.90256046801960 0.83219486396743 144.242 > 101 105 Nd 0.34751550223174 0.15256046801960 0.41780513603257 144.242 > 105 106 Nd 0.34751550223174 0.65256046801960 0.41780513603257 144.242 > 105 107 Nd 0.34751550223174 0.15256046801960 0.91780513603257 144.242 > 105 108 Nd 0.34751550223174 0.65256046801960 0.91780513603257 144.242 > 105 109 Nd 0.34751550223174 0.09743953198040 0.16780513603257 144.242 > 109 110 Nd 0.34751550223174 0.59743953198040 0.16780513603257 144.242 > 109 111 Nd 0.34751550223174 0.09743953198040 0.66780513603257 144.242 > 109 112 Nd 0.34751550223174 0.59743953198040 0.66780513603257 144.242 > 109 113 Nd 0.10460016659498 0.42469191269394 0.34680130035332 144.242 > 113 114 Nd 0.10460016659498 0.92469191269394 0.34680130035332 144.242 > 113 115 Nd 0.10460016659498 0.42469191269394 0.84680130035332 144.242 > 113 116 Nd 0.10460016659498 0.92469191269394 0.84680130035332 144.242 > 113 117 Nd 0.89539983340502 0.17469191269394 0.40319869964668 144.242 > 117 118 Nd 0.89539983340502 0.67469191269394 0.40319869964668 144.242 > 117 119 Nd 0.89539983340502 0.17469191269394 0.90319869964668 144.242 > 117 120 Nd 0.89539983340502 0.67469191269394 0.90319869964668 144.242 > 117 121 Nd 0.89539983340502 0.07530808730606 0.15319869964668 144.242 > 121 122 Nd 0.89539983340502 0.57530808730606 0.15319869964668 144.242 > 121 123 Nd 0.89539983340502 0.07530808730606 0.65319869964668 144.242 > 121 124 Nd 0.89539983340502 0.57530808730606 0.65319869964668 144.242 > 121 125 Nd 0.10460016659498 0.32530808730606 0.09680130035332 144.242 > 125 126 Nd 0.10460016659498 0.82530808730606 0.09680130035332 144.242 > 125 127 Nd 0.10460016659498 0.32530808730606 0.59680130035332 144.242 > 125 128 Nd 0.10460016659498 0.82530808730606 0.59680130035332 144.242 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2324212 0.0000000 0.1031777 0.0000000 6.5963543 0.0000000 0.1031872 0.0000000 5.7823262 -------------------------- Born effective charges -------------------------- 1 O -2.3910167 0.0432625 0.1717259 0.0474709 -2.1289444 0.0326018 0.0847451 0.1338398 -2.4925781 2 O -2.3910167 -0.0432625 0.1717259 -0.0474709 -2.1289444 -0.0326018 0.0847451 -0.1338398 -2.4925781 3 O -2.3910167 0.0432625 0.1717259 0.0474709 -2.1289444 0.0326018 0.0847451 0.1338398 -2.4925781 4 O -2.3910167 -0.0432625 0.1717259 -0.0474709 -2.1289444 -0.0326018 0.0847451 -0.1338398 -2.4925781 5 O -2.3044349 0.1587160 -0.3393695 0.0427907 -2.7125289 -0.3697400 -0.4055559 -0.3223613 -1.9431803 6 O -2.3044349 -0.1587160 -0.3393695 -0.0427907 -2.7125289 0.3697400 -0.4055559 0.3223613 -1.9431803 7 O -2.3044349 0.1587160 -0.3393695 0.0427907 -2.7125289 -0.3697400 -0.4055559 -0.3223613 -1.9431803 8 O -2.3044349 -0.1587160 -0.3393695 -0.0427907 -2.7125289 0.3697400 -0.4055559 0.3223613 -1.9431803 9 O -2.6022086 0.0482445 0.0390879 0.0155416 -1.9071822 -0.3536112 0.1159806 -0.3312651 -2.4946204 10 O -2.6079475 -0.1518852 -0.0174374 -0.0979000 -1.8168064 -0.1474078 0.0475057 -0.1511071 -2.4283131 11 O -2.6022086 0.0482445 0.0390879 0.0155416 -1.9071822 -0.3536112 0.1159806 -0.3312651 -2.4946204 12 O -2.6022086 -0.0482445 0.0390879 -0.0155416 -1.9071822 0.3536112 0.1159806 0.3312651 -2.4946204 13 O -2.6079475 0.1518852 -0.0174374 0.0979000 -1.8168064 0.1474078 0.0475057 0.1511071 -2.4283131 14 O -2.6079475 -0.1518852 -0.0174374 -0.0979000 -1.8168064 -0.1474078 0.0475057 -0.1511071 -2.4283131 15 O -2.6079475 0.1518852 -0.0174374 0.0979000 -1.8168064 0.1474078 0.0475057 0.1511071 -2.4283131 16 O -2.6022086 -0.0482445 0.0390879 -0.0155416 -1.9071822 0.3536112 0.1159806 0.3312651 -2.4946204 17 Si 3.5285576 -0.1213903 0.0625825 -0.0497330 2.8549394 -0.0671204 0.0283659 0.0079100 3.4547889 18 Si 3.5285576 -0.1213903 0.0625825 -0.0497330 2.8549394 -0.0671204 0.0283659 0.0079100 3.4547889 19 Si 3.5285576 0.1213903 0.0625825 0.0497330 2.8549394 0.0671204 0.0283659 -0.0079100 3.4547889 20 Si 3.5285576 0.1213903 0.0625825 0.0497330 2.8549394 0.0671204 0.0283659 -0.0079100 3.4547889 21 Te -1.7838269 -0.0703350 -0.1079096 -0.0619473 -2.9974828 -0.0611051 -0.0636214 -0.0856405 -2.0836764 22 Te -1.7838269 0.0703350 -0.1079096 0.0619473 -2.9974828 0.0611051 -0.0636214 0.0856405 -2.0836764 23 Te -1.7838269 -0.0703350 -0.1079096 -0.0619473 -2.9974828 -0.0611051 -0.0636214 -0.0856405 -2.0836764 24 Te -1.7838269 0.0703350 -0.1079096 0.0619473 -2.9974828 0.0611051 -0.0636214 0.0856405 -2.0836764 25 Nd 3.5584281 0.0357380 -0.0073166 0.0983766 4.3639780 -0.1008876 0.0720661 -0.1684284 3.9578202 26 Nd 3.5584281 -0.0357380 -0.0073166 -0.0983766 4.3639780 0.1008876 0.0720661 0.1684284 3.9578202 27 Nd 3.5584281 0.0357380 -0.0073166 0.0983766 4.3639780 -0.1008876 0.0720661 -0.1684284 3.9578202 28 Nd 3.5584281 -0.0357380 -0.0073166 -0.0983766 4.3639780 0.1008876 0.0720661 0.1684284 3.9578202 29 Nd 4.6024488 0.2358596 0.1986367 0.0733244 4.3440272 0.1531237 0.1205140 0.0711502 4.0297590 30 Nd 4.6024488 -0.2358596 0.1986367 -0.0733244 4.3440272 -0.1531237 0.1205140 -0.0711502 4.0297590 31 Nd 4.6024488 0.2358596 0.1986367 0.0733244 4.3440272 0.1531237 0.1205140 0.0711502 4.0297590 32 Nd 4.6024488 -0.2358596 0.1986367 -0.0733244 4.3440272 -0.1531237 0.1205140 -0.0711502 4.0297590 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:02:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:02:17]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.777176020611387 0.000000000000000 0.000000000000000 b 0.000000000000000 6.398027570000002 0.000000000000000 c -0.732461866882869 0.000000000000000 8.664180621800734 Atomic positions (fractional): 1 O 0.25085969367020 0.13839900420323 0.59115394753351 15.999 2 O 0.74914030632980 0.63839900420323 0.90884605246649 15.999 3 O 0.74914030632980 0.86160099579677 0.40884605246649 15.999 4 O 0.25085969367020 0.36160099579677 0.09115394753351 15.999 5 O 0.15552637816583 0.49068953370520 0.68592950310539 15.999 6 O 0.84447362183417 0.99068953370520 0.81407049689461 15.999 7 O 0.84447362183417 0.50931046629480 0.31407049689461 15.999 8 O 0.15552637816583 0.00931046629480 0.18592950310539 15.999 9 O 0.12471271738057 0.13448154632469 0.87423437177752 15.999 10 O 0.02074423887938 0.80882597857550 0.42139749042361 15.999 11 O 0.87528728261943 0.86551845367531 0.12576562822248 15.999 12 O 0.12471271738057 0.36551845367531 0.37423437177752 15.999 13 O 0.02074423887938 0.69117402142450 0.92139749042361 15.999 14 O 0.97925576112062 0.19117402142449 0.57860250957639 15.999 15 O 0.97925576112062 0.30882597857550 0.07860250957639 15.999 16 O 0.87528728261943 0.63448154632469 0.62576562822248 15.999 17 Si 0.12550907929684 0.19059360187031 0.05723173636456 28.085 18 Si 0.87449092070316 0.80940639812969 0.94276826363544 28.085 19 Si 0.87449092070316 0.69059360187031 0.44276826363544 28.085 20 Si 0.12550907929684 0.30940639812969 0.55723173636456 28.085 21 Te 0.59383077403659 0.28913253139788 0.61587579905753 127.600 22 Te 0.40616922596341 0.78913253139788 0.88412420094247 127.600 23 Te 0.40616922596341 0.71086746860212 0.38412420094247 127.600 24 Te 0.59383077403659 0.21086746860212 0.11587579905753 127.600 25 Nd 0.65248449776826 0.69487906396080 0.16438972793486 144.242 26 Nd 0.65248449776826 0.80512093603920 0.66438972793486 144.242 27 Nd 0.34751550223174 0.30512093603920 0.83561027206514 144.242 28 Nd 0.34751550223174 0.19487906396080 0.33561027206514 144.242 29 Nd 0.10460016659498 0.84938382538787 0.69360260070664 144.242 30 Nd 0.89539983340502 0.34938382538787 0.80639739929336 144.242 31 Nd 0.89539983340502 0.15061617461213 0.30639739929336 144.242 32 Nd 0.10460016659498 0.65061617461213 0.19360260070664 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.777176020611387 0.000000000000000 0.000000000000000 b 0.000000000000000 12.796055140000004 0.000000000000000 c -1.464923733765738 0.000000000000000 17.328361243601467 Atomic positions (fractional): 1 O 0.25085969367020 0.06919950210161 0.29557697376676 15.999 > 1 2 O 0.25085969367020 0.56919950210161 0.29557697376676 15.999 > 1 3 O 0.25085969367020 0.06919950210161 0.79557697376676 15.999 > 1 4 O 0.25085969367020 0.56919950210161 0.79557697376676 15.999 > 1 5 O 0.74914030632980 0.31919950210161 0.45442302623324 15.999 > 5 6 O 0.74914030632980 0.81919950210161 0.45442302623324 15.999 > 5 7 O 0.74914030632980 0.31919950210161 0.95442302623324 15.999 > 5 8 O 0.74914030632980 0.81919950210161 0.95442302623324 15.999 > 5 9 O 0.74914030632980 0.43080049789839 0.20442302623324 15.999 > 9 10 O 0.74914030632980 0.93080049789839 0.20442302623324 15.999 > 9 11 O 0.74914030632980 0.43080049789839 0.70442302623324 15.999 > 9 12 O 0.74914030632980 0.93080049789839 0.70442302623324 15.999 > 9 13 O 0.25085969367020 0.18080049789839 0.04557697376675 15.999 > 13 14 O 0.25085969367020 0.68080049789839 0.04557697376675 15.999 > 13 15 O 0.25085969367020 0.18080049789839 0.54557697376675 15.999 > 13 16 O 0.25085969367020 0.68080049789839 0.54557697376675 15.999 > 13 17 O 0.15552637816583 0.24534476685260 0.34296475155270 15.999 > 17 18 O 0.15552637816583 0.74534476685260 0.34296475155270 15.999 > 17 19 O 0.15552637816583 0.24534476685260 0.84296475155270 15.999 > 17 20 O 0.15552637816583 0.74534476685260 0.84296475155270 15.999 > 17 21 O 0.84447362183417 0.49534476685260 0.40703524844730 15.999 > 21 22 O 0.84447362183417 0.99534476685260 0.40703524844730 15.999 > 21 23 O 0.84447362183417 0.49534476685260 0.90703524844730 15.999 > 21 24 O 0.84447362183417 0.99534476685260 0.90703524844730 15.999 > 21 25 O 0.84447362183417 0.25465523314740 0.15703524844730 15.999 > 25 26 O 0.84447362183417 0.75465523314740 0.15703524844730 15.999 > 25 27 O 0.84447362183417 0.25465523314740 0.65703524844730 15.999 > 25 28 O 0.84447362183417 0.75465523314740 0.65703524844730 15.999 > 25 29 O 0.15552637816583 0.00465523314740 0.09296475155270 15.999 > 29 30 O 0.15552637816583 0.50465523314740 0.09296475155270 15.999 > 29 31 O 0.15552637816583 0.00465523314740 0.59296475155270 15.999 > 29 32 O 0.15552637816583 0.50465523314740 0.59296475155270 15.999 > 29 33 O 0.12471271738057 0.06724077316234 0.43711718588876 15.999 > 33 34 O 0.12471271738057 0.56724077316234 0.43711718588876 15.999 > 33 35 O 0.12471271738057 0.06724077316234 0.93711718588876 15.999 > 33 36 O 0.12471271738057 0.56724077316234 0.93711718588876 15.999 > 33 37 O 0.02074423887938 0.40441298928775 0.21069874521180 15.999 > 37 38 O 0.02074423887938 0.90441298928775 0.21069874521180 15.999 > 37 39 O 0.02074423887938 0.40441298928775 0.71069874521180 15.999 > 37 40 O 0.02074423887938 0.90441298928775 0.71069874521180 15.999 > 37 41 O 0.87528728261943 0.43275922683766 0.06288281411124 15.999 > 41 42 O 0.87528728261943 0.93275922683766 0.06288281411124 15.999 > 41 43 O 0.87528728261943 0.43275922683766 0.56288281411124 15.999 > 41 44 O 0.87528728261943 0.93275922683766 0.56288281411124 15.999 > 41 45 O 0.12471271738057 0.18275922683766 0.18711718588876 15.999 > 45 46 O 0.12471271738057 0.68275922683766 0.18711718588876 15.999 > 45 47 O 0.12471271738057 0.18275922683766 0.68711718588876 15.999 > 45 48 O 0.12471271738057 0.68275922683766 0.68711718588876 15.999 > 45 49 O 0.02074423887938 0.34558701071225 0.46069874521180 15.999 > 49 50 O 0.02074423887938 0.84558701071225 0.46069874521180 15.999 > 49 51 O 0.02074423887938 0.34558701071225 0.96069874521180 15.999 > 49 52 O 0.02074423887938 0.84558701071225 0.96069874521180 15.999 > 49 53 O 0.97925576112062 0.09558701071225 0.28930125478820 15.999 > 53 54 O 0.97925576112062 0.59558701071225 0.28930125478820 15.999 > 53 55 O 0.97925576112062 0.09558701071225 0.78930125478820 15.999 > 53 56 O 0.97925576112062 0.59558701071225 0.78930125478820 15.999 > 53 57 O 0.97925576112062 0.15441298928775 0.03930125478820 15.999 > 57 58 O 0.97925576112062 0.65441298928775 0.03930125478820 15.999 > 57 59 O 0.97925576112062 0.15441298928775 0.53930125478820 15.999 > 57 60 O 0.97925576112062 0.65441298928775 0.53930125478820 15.999 > 57 61 O 0.87528728261943 0.31724077316234 0.31288281411124 15.999 > 61 62 O 0.87528728261943 0.81724077316234 0.31288281411124 15.999 > 61 63 O 0.87528728261943 0.31724077316234 0.81288281411124 15.999 > 61 64 O 0.87528728261943 0.81724077316234 0.81288281411124 15.999 > 61 65 Si 0.12550907929684 0.09529680093516 0.02861586818228 28.085 > 65 66 Si 0.12550907929684 0.59529680093516 0.02861586818228 28.085 > 65 67 Si 0.12550907929684 0.09529680093516 0.52861586818228 28.085 > 65 68 Si 0.12550907929684 0.59529680093516 0.52861586818228 28.085 > 65 69 Si 0.87449092070316 0.40470319906484 0.47138413181772 28.085 > 69 70 Si 0.87449092070316 0.90470319906484 0.47138413181772 28.085 > 69 71 Si 0.87449092070316 0.40470319906484 0.97138413181772 28.085 > 69 72 Si 0.87449092070316 0.90470319906484 0.97138413181772 28.085 > 69 73 Si 0.87449092070316 0.34529680093516 0.22138413181772 28.085 > 73 74 Si 0.87449092070316 0.84529680093516 0.22138413181772 28.085 > 73 75 Si 0.87449092070316 0.34529680093516 0.72138413181772 28.085 > 73 76 Si 0.87449092070316 0.84529680093516 0.72138413181772 28.085 > 73 77 Si 0.12550907929684 0.15470319906484 0.27861586818228 28.085 > 77 78 Si 0.12550907929684 0.65470319906484 0.27861586818228 28.085 > 77 79 Si 0.12550907929684 0.15470319906484 0.77861586818228 28.085 > 77 80 Si 0.12550907929684 0.65470319906484 0.77861586818228 28.085 > 77 81 Te 0.59383077403659 0.14456626569894 0.30793789952876 127.600 > 81 82 Te 0.59383077403659 0.64456626569894 0.30793789952876 127.600 > 81 83 Te 0.59383077403659 0.14456626569894 0.80793789952876 127.600 > 81 84 Te 0.59383077403659 0.64456626569894 0.80793789952876 127.600 > 81 85 Te 0.40616922596341 0.39456626569894 0.44206210047124 127.600 > 85 86 Te 0.40616922596341 0.89456626569894 0.44206210047124 127.600 > 85 87 Te 0.40616922596341 0.39456626569894 0.94206210047124 127.600 > 85 88 Te 0.40616922596341 0.89456626569894 0.94206210047124 127.600 > 85 89 Te 0.40616922596341 0.35543373430106 0.19206210047124 127.600 > 89 90 Te 0.40616922596341 0.85543373430106 0.19206210047124 127.600 > 89 91 Te 0.40616922596341 0.35543373430106 0.69206210047124 127.600 > 89 92 Te 0.40616922596341 0.85543373430106 0.69206210047124 127.600 > 89 93 Te 0.59383077403659 0.10543373430106 0.05793789952876 127.600 > 93 94 Te 0.59383077403659 0.60543373430106 0.05793789952876 127.600 > 93 95 Te 0.59383077403659 0.10543373430106 0.55793789952876 127.600 > 93 96 Te 0.59383077403659 0.60543373430106 0.55793789952876 127.600 > 93 97 Nd 0.65248449776826 0.34743953198040 0.08219486396743 144.242 > 97 98 Nd 0.65248449776826 0.84743953198040 0.08219486396743 144.242 > 97 99 Nd 0.65248449776826 0.34743953198040 0.58219486396743 144.242 > 97 100 Nd 0.65248449776826 0.84743953198040 0.58219486396743 144.242 > 97 101 Nd 0.65248449776826 0.40256046801960 0.33219486396743 144.242 > 101 102 Nd 0.65248449776826 0.90256046801960 0.33219486396743 144.242 > 101 103 Nd 0.65248449776826 0.40256046801960 0.83219486396743 144.242 > 101 104 Nd 0.65248449776826 0.90256046801960 0.83219486396743 144.242 > 101 105 Nd 0.34751550223174 0.15256046801960 0.41780513603257 144.242 > 105 106 Nd 0.34751550223174 0.65256046801960 0.41780513603257 144.242 > 105 107 Nd 0.34751550223174 0.15256046801960 0.91780513603257 144.242 > 105 108 Nd 0.34751550223174 0.65256046801960 0.91780513603257 144.242 > 105 109 Nd 0.34751550223174 0.09743953198040 0.16780513603257 144.242 > 109 110 Nd 0.34751550223174 0.59743953198040 0.16780513603257 144.242 > 109 111 Nd 0.34751550223174 0.09743953198040 0.66780513603257 144.242 > 109 112 Nd 0.34751550223174 0.59743953198040 0.66780513603257 144.242 > 109 113 Nd 0.10460016659498 0.42469191269394 0.34680130035332 144.242 > 113 114 Nd 0.10460016659498 0.92469191269394 0.34680130035332 144.242 > 113 115 Nd 0.10460016659498 0.42469191269394 0.84680130035332 144.242 > 113 116 Nd 0.10460016659498 0.92469191269394 0.84680130035332 144.242 > 113 117 Nd 0.89539983340502 0.17469191269394 0.40319869964668 144.242 > 117 118 Nd 0.89539983340502 0.67469191269394 0.40319869964668 144.242 > 117 119 Nd 0.89539983340502 0.17469191269394 0.90319869964668 144.242 > 117 120 Nd 0.89539983340502 0.67469191269394 0.90319869964668 144.242 > 117 121 Nd 0.89539983340502 0.07530808730606 0.15319869964668 144.242 > 121 122 Nd 0.89539983340502 0.57530808730606 0.15319869964668 144.242 > 121 123 Nd 0.89539983340502 0.07530808730606 0.65319869964668 144.242 > 121 124 Nd 0.89539983340502 0.57530808730606 0.65319869964668 144.242 > 121 125 Nd 0.10460016659498 0.32530808730606 0.09680130035332 144.242 > 125 126 Nd 0.10460016659498 0.82530808730606 0.09680130035332 144.242 > 125 127 Nd 0.10460016659498 0.32530808730606 0.59680130035332 144.242 > 125 128 Nd 0.10460016659498 0.82530808730606 0.59680130035332 144.242 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2324212 0.0000000 0.1031777 0.0000000 6.5963543 0.0000000 0.1031872 0.0000000 5.7823262 -------------------------- Born effective charges -------------------------- 1 O -2.3910167 0.0432625 0.1717259 0.0474709 -2.1289444 0.0326018 0.0847451 0.1338398 -2.4925781 2 O -2.3910167 -0.0432625 0.1717259 -0.0474709 -2.1289444 -0.0326018 0.0847451 -0.1338398 -2.4925781 3 O -2.3910167 0.0432625 0.1717259 0.0474709 -2.1289444 0.0326018 0.0847451 0.1338398 -2.4925781 4 O -2.3910167 -0.0432625 0.1717259 -0.0474709 -2.1289444 -0.0326018 0.0847451 -0.1338398 -2.4925781 5 O -2.3044349 0.1587160 -0.3393695 0.0427907 -2.7125289 -0.3697400 -0.4055559 -0.3223613 -1.9431803 6 O -2.3044349 -0.1587160 -0.3393695 -0.0427907 -2.7125289 0.3697400 -0.4055559 0.3223613 -1.9431803 7 O -2.3044349 0.1587160 -0.3393695 0.0427907 -2.7125289 -0.3697400 -0.4055559 -0.3223613 -1.9431803 8 O -2.3044349 -0.1587160 -0.3393695 -0.0427907 -2.7125289 0.3697400 -0.4055559 0.3223613 -1.9431803 9 O -2.6022086 0.0482445 0.0390879 0.0155416 -1.9071822 -0.3536112 0.1159806 -0.3312651 -2.4946204 10 O -2.6079475 -0.1518852 -0.0174374 -0.0979000 -1.8168064 -0.1474078 0.0475057 -0.1511071 -2.4283131 11 O -2.6022086 0.0482445 0.0390879 0.0155416 -1.9071822 -0.3536112 0.1159806 -0.3312651 -2.4946204 12 O -2.6022086 -0.0482445 0.0390879 -0.0155416 -1.9071822 0.3536112 0.1159806 0.3312651 -2.4946204 13 O -2.6079475 0.1518852 -0.0174374 0.0979000 -1.8168064 0.1474078 0.0475057 0.1511071 -2.4283131 14 O -2.6079475 -0.1518852 -0.0174374 -0.0979000 -1.8168064 -0.1474078 0.0475057 -0.1511071 -2.4283131 15 O -2.6079475 0.1518852 -0.0174374 0.0979000 -1.8168064 0.1474078 0.0475057 0.1511071 -2.4283131 16 O -2.6022086 -0.0482445 0.0390879 -0.0155416 -1.9071822 0.3536112 0.1159806 0.3312651 -2.4946204 17 Si 3.5285576 -0.1213903 0.0625825 -0.0497330 2.8549394 -0.0671204 0.0283659 0.0079100 3.4547889 18 Si 3.5285576 -0.1213903 0.0625825 -0.0497330 2.8549394 -0.0671204 0.0283659 0.0079100 3.4547889 19 Si 3.5285576 0.1213903 0.0625825 0.0497330 2.8549394 0.0671204 0.0283659 -0.0079100 3.4547889 20 Si 3.5285576 0.1213903 0.0625825 0.0497330 2.8549394 0.0671204 0.0283659 -0.0079100 3.4547889 21 Te -1.7838269 -0.0703350 -0.1079096 -0.0619473 -2.9974828 -0.0611051 -0.0636214 -0.0856405 -2.0836764 22 Te -1.7838269 0.0703350 -0.1079096 0.0619473 -2.9974828 0.0611051 -0.0636214 0.0856405 -2.0836764 23 Te -1.7838269 -0.0703350 -0.1079096 -0.0619473 -2.9974828 -0.0611051 -0.0636214 -0.0856405 -2.0836764 24 Te -1.7838269 0.0703350 -0.1079096 0.0619473 -2.9974828 0.0611051 -0.0636214 0.0856405 -2.0836764 25 Nd 3.5584281 0.0357380 -0.0073166 0.0983766 4.3639780 -0.1008876 0.0720661 -0.1684284 3.9578202 26 Nd 3.5584281 -0.0357380 -0.0073166 -0.0983766 4.3639780 0.1008876 0.0720661 0.1684284 3.9578202 27 Nd 3.5584281 0.0357380 -0.0073166 0.0983766 4.3639780 -0.1008876 0.0720661 -0.1684284 3.9578202 28 Nd 3.5584281 -0.0357380 -0.0073166 -0.0983766 4.3639780 0.1008876 0.0720661 0.1684284 3.9578202 29 Nd 4.6024488 0.2358596 0.1986367 0.0733244 4.3440272 0.1531237 0.1205140 0.0711502 4.0297590 30 Nd 4.6024488 -0.2358596 0.1986367 -0.0733244 4.3440272 -0.1531237 0.1205140 -0.0711502 4.0297590 31 Nd 4.6024488 0.2358596 0.1986367 0.0733244 4.3440272 0.1531237 0.1205140 0.0711502 4.0297590 32 Nd 4.6024488 -0.2358596 0.1986367 -0.0733244 4.3440272 -0.1531237 0.1205140 -0.0711502 4.0297590 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 6 ] 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: 0.51, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.634 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.823 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 4.109 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 6.435 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.739 ( 0.000 0.000 0.000) 0.000 6.814 ( 0.000 0.000 0.000) 0.000 7.010 ( 0.000 0.000 0.000) 0.000 7.160 ( 0.000 0.000 0.000) 0.000 7.188 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.339 ( 0.000 0.000 0.000) 0.000 7.592 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 8.147 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.344 ( 0.000 0.000 0.000) 0.000 9.072 ( 0.000 0.000 0.000) 0.000 9.327 ( 0.000 0.000 0.000) 0.000 9.427 ( 0.000 0.000 0.000) 0.000 9.708 ( 0.000 0.000 0.000) 0.000 10.302 ( 0.000 0.000 0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 11.045 ( 0.000 0.000 0.000) 0.000 12.186 ( 0.000 0.000 0.000) 0.000 12.612 ( 0.000 0.000 0.000) 0.000 12.869 ( 0.000 0.000 0.000) 0.000 12.874 ( 0.000 0.000 0.000) 0.000 13.038 ( 0.000 0.000 0.000) 0.000 13.527 ( 0.000 0.000 0.000) 0.000 14.006 ( 0.000 0.000 0.000) 0.000 14.164 ( 0.000 0.000 0.000) 0.000 14.345 ( 0.000 0.000 0.000) 0.000 14.423 ( 0.000 0.000 0.000) 0.000 14.576 ( 0.000 0.000 0.000) 0.000 15.155 ( 0.000 0.000 0.000) 0.000 15.519 ( 0.000 0.000 0.000) 0.000 15.847 ( 0.000 0.000 0.000) 0.000 16.048 ( 0.000 0.000 0.000) 0.000 16.367 ( 0.000 0.000 0.000) 0.000 17.045 ( 0.000 0.000 0.000) 0.000 24.552 ( 0.000 0.000 0.000) 0.000 24.611 ( 0.000 0.000 0.000) 0.000 24.666 ( 0.000 0.000 0.000) 0.000 24.720 ( 0.000 0.000 0.000) 0.000 26.057 ( 0.000 0.000 0.000) 0.000 26.162 ( 0.000 0.000 0.000) 0.000 26.246 ( 0.000 0.000 0.000) 0.000 26.370 ( 0.000 0.000 0.000) 0.000 26.785 ( 0.000 0.000 0.000) 0.000 26.794 ( 0.000 0.000 0.000) 0.000 27.150 ( 0.000 0.000 0.000) 0.000 27.318 ( 0.000 0.000 0.000) 0.000 28.573 ( 0.000 0.000 0.000) 0.000 28.873 ( 0.000 0.000 0.000) 0.000 29.201 ( 0.000 0.000 0.000) 0.000 29.809 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 21.372 0.000 -6.233) 22.263 0.452 ( 21.261 0.000 2.907) 21.459 0.839 ( 38.268 0.000 17.355) 42.020 1.652 ( -8.245 0.000 5.887) 10.131 1.675 ( -3.061 0.000 3.779) 4.863 1.781 ( -0.294 0.000 -0.300) 0.420 1.804 ( -1.311 0.000 1.021) 1.661 1.883 ( -0.808 0.000 -1.691) 1.875 2.006 ( -4.850 0.000 0.691) 4.899 2.056 ( 2.333 0.000 -6.316) 6.733 2.164 ( -9.840 0.000 5.817) 11.431 2.206 ( 3.912 0.000 -3.846) 5.486 2.475 ( 2.537 0.000 -2.170) 3.338 2.647 ( 1.132 0.000 0.148) 1.142 2.871 ( 4.921 0.000 -6.857) 8.440 2.989 ( -6.991 0.000 0.458) 7.006 3.102 ( -4.487 0.000 -3.469) 5.672 3.130 ( -1.369 0.000 3.595) 3.847 3.143 ( 0.353 0.000 1.543) 1.582 3.168 ( -1.008 0.000 4.056) 4.179 3.296 ( -14.651 0.000 -0.334) 14.655 3.352 ( -0.288 0.000 -3.595) 3.606 3.402 ( 0.597 0.000 -3.263) 3.317 3.429 ( -2.195 0.000 -3.204) 3.884 3.470 ( 6.644 0.000 0.888) 6.703 3.614 ( -7.663 0.000 -5.641) 9.516 3.624 ( 5.766 0.000 -4.013) 7.025 3.666 ( -1.281 0.000 3.140) 3.391 3.711 ( 0.364 0.000 -2.452) 2.479 3.815 ( 2.481 0.000 1.341) 2.821 3.955 ( -0.946 0.000 0.468) 1.055 4.062 ( -1.183 0.000 -1.022) 1.563 4.351 ( 14.321 0.000 10.106) 17.528 4.357 ( 1.116 0.000 0.843) 1.399 4.823 ( -1.659 0.000 -3.276) 3.672 5.030 ( 2.327 0.000 -15.937) 16.106 5.277 ( 0.968 0.000 0.129) 0.977 5.302 ( -2.258 0.000 -0.833) 2.407 5.363 ( 0.033 0.000 0.973) 0.974 5.475 ( -0.021 0.000 0.056) 0.060 5.949 ( -0.519 0.000 -0.247) 0.575 6.438 ( 0.321 0.000 -0.826) 0.886 6.543 ( -0.566 0.000 -0.355) 0.668 6.823 ( 0.748 0.000 0.149) 0.762 7.014 ( 0.282 0.000 0.802) 0.851 7.168 ( 0.725 0.000 -0.455) 0.856 7.195 ( 0.354 0.000 3.743) 3.759 7.279 ( -1.289 0.000 0.655) 1.446 7.317 ( -0.547 0.000 1.762) 1.845 7.591 ( 0.012 0.000 -0.433) 0.434 7.698 ( 2.720 0.000 1.807) 3.265 8.137 ( -0.820 0.000 -0.599) 1.015 8.259 ( 0.621 0.000 0.179) 0.646 8.287 ( 1.234 0.000 -18.630) 18.671 8.307 ( 1.622 0.000 -16.692) 16.770 8.561 ( -5.714 0.000 41.228) 41.622 9.064 ( -0.639 0.000 -0.508) 0.817 9.316 ( -0.775 0.000 -1.228) 1.452 9.425 ( -0.257 0.000 1.461) 1.484 9.712 ( 0.266 0.000 -1.537) 1.560 10.297 ( -0.369 0.000 -0.178) 0.410 10.614 ( 0.168 0.000 0.695) 0.715 11.048 ( 0.263 0.000 0.174) 0.316 12.191 ( 0.024 0.000 -0.220) 0.222 12.609 ( -0.241 0.000 -0.285) 0.373 12.874 ( -0.152 0.000 0.317) 0.352 12.879 ( 0.425 0.000 0.214) 0.476 13.057 ( 1.574 0.000 0.372) 1.617 13.665 ( -0.862 0.000 2.857) 2.984 14.026 ( 1.790 0.000 1.038) 2.070 14.310 ( -2.901 0.000 -2.915) 4.112 14.439 ( 1.240 0.000 1.119) 1.670 14.578 ( 0.066 0.000 0.753) 0.756 14.911 ( 2.950 0.000 -42.644) 42.746 15.152 ( -0.286 0.000 -0.086) 0.298 15.520 ( 0.116 0.000 -0.302) 0.323 16.050 ( 0.259 0.000 -1.241) 1.268 16.077 ( -3.487 0.000 39.933) 40.085 16.367 ( -0.046 0.000 0.801) 0.802 17.042 ( -0.223 0.000 -0.279) 0.358 24.547 ( -0.519 0.000 0.072) 0.524 24.612 ( 0.079 0.000 0.296) 0.306 24.664 ( -0.198 0.000 -0.296) 0.356 24.726 ( 0.459 0.000 0.071) 0.464 26.161 ( -0.116 0.000 0.511) 0.524 26.256 ( 0.840 0.000 -0.733) 1.115 26.324 ( -1.188 0.000 9.950) 10.020 26.374 ( 0.192 0.000 1.271) 1.286 26.790 ( 0.367 0.000 0.211) 0.423 26.795 ( 0.046 0.000 0.055) 0.072 27.317 ( -0.038 0.000 -0.008) 0.039 27.918 ( 4.145 0.000 -51.759) 51.924 28.573 ( 0.033 0.000 -0.009) 0.034 29.138 ( -3.108 0.000 35.589) 35.725 29.206 ( 0.414 0.000 -0.147) 0.439 29.802 ( -0.577 0.000 0.260) 0.633 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 14.613 0.000 -5.006) 15.447 0.850 ( 15.219 0.000 1.898) 15.336 1.410 ( -9.389 0.000 9.255) 13.184 1.441 ( -12.496 0.000 -1.144) 12.548 1.578 ( 23.323 0.000 10.344) 25.514 1.807 ( -0.029 0.000 -2.827) 2.828 1.876 ( 1.716 0.000 1.245) 2.120 1.925 ( 6.504 0.000 5.037) 8.227 1.938 ( -1.147 0.000 -0.220) 1.168 2.008 ( -4.850 0.000 3.009) 5.708 2.135 ( 4.960 0.000 -3.932) 6.330 2.243 ( 2.188 0.000 -3.344) 3.996 2.417 ( -5.169 0.000 -4.094) 6.594 2.587 ( -25.457 0.000 -4.569) 25.864 2.687 ( 1.909 0.000 0.809) 2.073 3.015 ( 7.761 0.000 -5.705) 9.632 3.043 ( -0.937 0.000 -0.599) 1.112 3.093 ( -2.643 0.000 1.337) 2.962 3.118 ( -2.241 0.000 5.007) 5.486 3.151 ( -0.131 0.000 0.489) 0.507 3.162 ( -0.779 0.000 0.407) 0.879 3.331 ( -0.767 0.000 -0.970) 1.236 3.402 ( -3.392 0.000 0.302) 3.406 3.464 ( 4.953 0.000 -5.825) 7.646 3.484 ( -1.864 0.000 -3.573) 4.030 3.562 ( 0.271 0.000 4.102) 4.111 3.592 ( -1.845 0.000 0.023) 1.845 3.721 ( 0.343 0.000 -0.258) 0.429 3.763 ( 4.220 0.000 -2.471) 4.890 3.858 ( 1.209 0.000 1.121) 1.649 3.930 ( -1.283 0.000 0.699) 1.461 4.036 ( -0.841 0.000 -0.144) 0.853 4.384 ( 0.954 0.000 0.454) 1.057 4.593 ( 7.414 0.000 4.667) 8.760 4.768 ( -3.000 0.000 -1.250) 3.250 5.047 ( 0.895 0.000 -4.665) 4.750 5.256 ( -1.557 0.000 -0.033) 1.557 5.297 ( 0.677 0.000 0.110) 0.686 5.364 ( 0.004 0.000 0.172) 0.172 5.475 ( -0.014 0.000 0.049) 0.051 5.939 ( -0.344 0.000 -0.044) 0.347 6.443 ( 0.260 0.000 -0.572) 0.629 6.531 ( -0.405 0.000 -0.146) 0.430 6.837 ( 0.409 0.000 0.081) 0.417 7.021 ( 0.183 0.000 0.461) 0.496 7.183 ( 0.656 0.000 -0.597) 0.887 7.212 ( 0.460 0.000 2.958) 2.994 7.252 ( -1.039 0.000 0.746) 1.279 7.305 ( -0.349 0.000 -2.237) 2.264 7.591 ( 0.006 0.000 -0.274) 0.274 7.757 ( 1.944 0.000 0.968) 2.172 8.121 ( -0.415 0.000 -0.369) 0.556 8.272 ( 0.421 0.000 0.110) 0.435 8.282 ( 0.193 0.000 -3.487) 3.493 8.306 ( 0.303 0.000 -5.888) 5.896 8.516 ( -2.402 0.000 10.922) 11.183 9.051 ( -0.421 0.000 -0.321) 0.529 9.299 ( -0.511 0.000 -0.650) 0.827 9.423 ( -0.127 0.000 0.805) 0.815 9.715 ( 0.108 0.000 -0.293) 0.312 10.290 ( -0.224 0.000 -0.109) 0.249 10.618 ( 0.106 0.000 0.421) 0.434 11.053 ( 0.161 0.000 0.107) 0.193 12.191 ( 0.011 0.000 -0.045) 0.047 12.604 ( -0.153 0.000 -0.180) 0.236 12.872 ( -0.088 0.000 0.127) 0.155 12.888 ( 0.285 0.000 0.122) 0.310 13.087 ( 0.933 0.000 0.247) 0.965 13.653 ( -0.409 0.000 0.542) 0.679 14.076 ( 2.310 0.000 1.548) 2.780 14.237 ( -2.964 0.000 -2.651) 3.977 14.465 ( 0.779 0.000 0.742) 1.076 14.580 ( 0.027 0.000 0.407) 0.407 14.898 ( 0.436 0.000 -10.365) 10.375 15.146 ( -0.179 0.000 -0.052) 0.186 15.522 ( 0.070 0.000 -0.186) 0.199 16.053 ( 0.215 0.000 -1.156) 1.176 16.074 ( -0.964 0.000 10.343) 10.388 16.367 ( -0.035 0.000 0.492) 0.493 17.038 ( -0.135 0.000 -0.174) 0.220 24.537 ( -0.288 0.000 -0.014) 0.288 24.614 ( 0.068 0.000 0.213) 0.223 24.659 ( -0.141 0.000 -0.213) 0.255 24.734 ( 0.256 0.000 0.039) 0.259 26.160 ( -0.040 0.000 0.266) 0.269 26.270 ( 0.485 0.000 -0.402) 0.630 26.318 ( -0.348 0.000 2.054) 2.084 26.379 ( 0.096 0.000 0.582) 0.590 26.796 ( 0.030 0.000 0.034) 0.045 26.797 ( 0.229 0.000 0.132) 0.264 27.316 ( -0.024 0.000 -0.005) 0.024 27.914 ( 0.894 0.000 -12.283) 12.315 28.574 ( 0.020 0.000 -0.006) 0.021 29.136 ( -0.772 0.000 8.405) 8.440 29.214 ( 0.265 0.000 -0.095) 0.281 29.792 ( -0.365 0.000 0.165) 0.401 ======================= Grid point 5 (4/80) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 22.527 0.000) 22.527 0.517 ( 0.000 25.670 0.000) 25.670 1.025 ( 0.000 48.735 0.000) 48.735 1.721 ( 0.000 7.070 0.000) 7.070 1.733 ( 0.000 2.218 0.000) 2.218 1.830 ( 0.000 -0.229 0.000) 0.229 1.836 ( 0.000 1.198 0.000) 1.198 1.966 ( 0.000 6.551 0.000) 6.551 2.038 ( 0.000 3.934 0.000) 3.934 2.039 ( 0.000 -3.880 0.000) 3.880 2.144 ( 0.000 6.130 0.000) 6.130 2.364 ( 0.000 4.797 0.000) 4.797 2.418 ( 0.000 2.427 0.000) 2.427 2.627 ( 0.000 -2.037 0.000) 2.037 2.829 ( 0.000 0.271 0.000) 0.271 2.873 ( 0.000 0.699 0.000) 0.699 3.020 ( 0.000 -1.371 0.000) 1.371 3.102 ( 0.000 -0.745 0.000) 0.745 3.153 ( 0.000 0.940 0.000) 0.940 3.239 ( 0.000 -4.726 0.000) 4.726 3.285 ( 0.000 2.035 0.000) 2.035 3.355 ( 0.000 -0.646 0.000) 0.646 3.488 ( 0.000 3.182 0.000) 3.182 3.500 ( 0.000 0.603 0.000) 0.603 3.563 ( 0.000 6.993 0.000) 6.993 3.574 ( 0.000 -0.172 0.000) 0.172 3.645 ( 0.000 1.327 0.000) 1.327 3.744 ( 0.000 -3.530 0.000) 3.530 3.836 ( 0.000 -2.024 0.000) 2.024 3.873 ( 0.000 2.401 0.000) 2.401 4.003 ( 0.000 0.623 0.000) 0.623 4.071 ( 0.000 6.158 0.000) 6.158 4.238 ( 0.000 8.348 0.000) 8.348 4.417 ( 0.000 4.526 0.000) 4.526 4.687 ( 0.000 -1.873 0.000) 1.873 4.858 ( 0.000 -0.380 0.000) 0.380 5.229 ( 0.000 -2.743 0.000) 2.743 5.388 ( 0.000 2.963 0.000) 2.963 5.444 ( 0.000 -0.099 0.000) 0.099 5.451 ( 0.000 2.655 0.000) 2.655 6.062 ( 0.000 9.406 0.000) 9.406 6.555 ( 0.000 0.083 0.000) 0.083 6.570 ( 0.000 -5.436 0.000) 5.436 6.686 ( 0.000 -4.048 0.000) 4.048 6.733 ( 0.000 -3.664 0.000) 3.664 6.990 ( 0.000 -3.875 0.000) 3.875 7.192 ( 0.000 -6.700 0.000) 6.700 7.262 ( 0.000 4.989 0.000) 4.989 7.409 ( 0.000 3.450 0.000) 3.450 7.644 ( 0.000 4.630 0.000) 4.630 7.664 ( 0.000 0.134 0.000) 0.134 8.027 ( 0.000 -7.722 0.000) 7.722 8.215 ( 0.000 -3.439 0.000) 3.439 8.257 ( 0.000 -3.182 0.000) 3.182 8.359 ( 0.000 1.394 0.000) 1.394 8.441 ( 0.000 4.355 0.000) 4.355 9.122 ( 0.000 4.364 0.000) 4.364 9.304 ( 0.000 -2.128 0.000) 2.128 9.431 ( 0.000 -0.431 0.000) 0.431 9.713 ( 0.000 -0.013 0.000) 0.013 10.275 ( 0.000 -2.482 0.000) 2.482 10.618 ( 0.000 -9.659 0.000) 9.659 11.145 ( 0.000 8.116 0.000) 8.116 12.117 ( 0.000 -6.227 0.000) 6.227 12.574 ( 0.000 -3.665 0.000) 3.665 12.789 ( 0.000 -7.646 0.000) 7.646 13.096 ( 0.000 5.105 0.000) 5.105 13.406 ( 0.000 4.534 0.000) 4.534 13.567 ( 0.000 4.077 0.000) 4.077 14.054 ( 0.000 -1.471 0.000) 1.471 14.159 ( 0.000 -0.538 0.000) 0.538 14.221 ( 0.000 -13.835 0.000) 13.835 14.352 ( 0.000 0.640 0.000) 0.640 14.695 ( 0.000 5.803 0.000) 5.803 15.155 ( 0.000 0.024 0.000) 0.024 15.499 ( 0.000 -2.131 0.000) 2.131 15.864 ( 0.000 1.751 0.000) 1.751 16.040 ( 0.000 -0.619 0.000) 0.619 16.416 ( 0.000 3.077 0.000) 3.077 17.032 ( 0.000 -1.476 0.000) 1.476 24.535 ( 0.000 -1.212 0.000) 1.212 24.643 ( 0.000 -0.779 0.000) 0.779 24.694 ( 0.000 2.260 0.000) 2.260 24.725 ( 0.000 0.458 0.000) 0.458 26.048 ( 0.000 -0.701 0.000) 0.701 26.175 ( 0.000 1.155 0.000) 1.155 26.307 ( 0.000 -0.351 0.000) 0.351 26.342 ( 0.000 -2.912 0.000) 2.912 26.729 ( 0.000 -4.239 0.000) 4.239 27.012 ( 0.000 -8.769 0.000) 8.769 27.475 ( 0.000 10.676 0.000) 10.676 27.568 ( 0.000 8.981 0.000) 8.981 28.592 ( 0.000 1.945 0.000) 1.945 28.920 ( 0.000 4.636 0.000) 4.636 29.173 ( 0.000 -2.811 0.000) 2.811 29.837 ( 0.000 -4.614 0.000) 4.614 ======================= Grid point 6 (5/80) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 11.163 16.594 1.346) 20.045 0.756 ( 18.156 17.650 2.803) 25.476 1.255 ( 18.547 33.801 7.793) 39.335 1.648 ( -6.612 2.701 1.090) 7.225 1.700 ( -1.203 -1.770 2.545) 3.325 1.819 ( -8.660 7.910 0.890) 11.763 1.871 ( 3.330 3.362 4.489) 6.523 1.941 ( 0.020 4.879 -1.361) 5.065 2.025 ( 0.085 -0.046 -3.873) 3.874 2.034 ( -2.944 3.312 2.208) 4.951 2.169 ( 4.650 -0.703 -4.722) 6.664 2.195 ( -8.679 1.834 5.134) 10.249 2.507 ( 1.227 1.757 -2.913) 3.616 2.648 ( 2.084 2.070 1.059) 3.123 2.838 ( 3.370 -3.291 -3.350) 5.780 2.940 ( -0.462 -2.514 0.878) 2.703 3.033 ( 1.307 -2.652 0.440) 2.989 3.110 ( -2.998 -0.850 -0.633) 3.180 3.132 ( 1.173 -0.340 1.195) 1.709 3.185 ( 0.298 1.636 -2.118) 2.693 3.349 ( -1.150 -0.943 0.972) 1.776 3.373 ( -5.873 3.365 -1.472) 6.926 3.431 ( -1.035 0.854 0.388) 1.397 3.439 ( -0.815 2.549 -5.754) 6.346 3.523 ( -4.309 1.643 -1.187) 4.762 3.606 ( -1.303 3.700 -4.675) 6.102 3.630 ( -0.528 1.029 0.456) 1.243 3.687 ( 1.479 2.807 -1.657) 3.580 3.756 ( 1.629 -0.923 2.055) 2.780 3.876 ( -5.542 6.516 -4.243) 9.548 4.027 ( -0.061 4.906 2.807) 5.653 4.116 ( -2.966 5.129 -0.350) 5.936 4.267 ( 13.792 -4.188 5.084) 15.284 4.398 ( 0.237 4.210 1.395) 4.442 4.778 ( 0.333 -4.128 -4.156) 5.867 4.929 ( 6.416 -2.988 -3.335) 7.824 5.203 ( -1.589 -2.622 -0.405) 3.093 5.369 ( -2.121 6.261 -1.750) 6.838 5.426 ( -0.724 -3.584 4.705) 5.958 5.478 ( 1.462 4.129 -2.289) 4.942 6.060 ( -0.164 9.675 -0.099) 9.677 6.450 ( -2.353 -1.031 -1.168) 2.822 6.554 ( -0.358 0.963 -0.946) 1.396 6.735 ( 0.255 -4.284 -0.928) 4.391 6.854 ( 3.288 -11.532 4.966) 12.979 7.090 ( 4.799 -2.230 -1.003) 5.386 7.174 ( -1.205 -5.685 -2.553) 6.347 7.292 ( 1.017 -3.525 4.726) 5.983 7.459 ( 4.331 6.558 4.181) 8.902 7.627 ( -0.817 6.968 -5.703) 9.041 7.695 ( 2.457 -0.044 1.099) 2.692 8.099 ( 4.921 -7.635 -5.168) 10.450 8.223 ( 0.603 -3.495 0.588) 3.595 8.250 ( -0.708 -3.585 2.064) 4.196 8.341 ( -0.376 4.426 -16.798) 17.376 8.443 ( -2.333 -2.651 23.452) 23.716 9.115 ( -0.543 4.425 -0.738) 4.519 9.296 ( -0.732 -2.034 -0.083) 2.163 9.420 ( -0.700 -0.573 0.806) 1.211 9.715 ( 0.170 -0.146 -0.639) 0.678 10.278 ( 0.096 -2.127 -0.584) 2.207 10.586 ( -1.756 -6.038 0.809) 6.340 11.116 ( -1.187 7.527 -0.350) 7.628 12.119 ( 0.126 -6.332 0.076) 6.334 12.571 ( -0.189 -3.594 -0.286) 3.610 12.788 ( -0.077 -7.801 0.121) 7.803 13.098 ( -5.757 12.458 -1.391) 13.794 13.116 ( -1.710 7.928 1.981) 8.349 13.680 ( 1.010 2.158 2.040) 3.136 14.018 ( 1.169 -0.863 0.784) 1.651 14.220 ( 0.667 -14.836 -0.352) 14.855 14.313 ( -2.625 -0.197 -2.410) 3.569 14.605 ( 17.676 -17.646 -17.260) 30.360 14.704 ( 0.603 5.699 2.441) 6.229 15.153 ( -0.243 0.017 0.147) 0.284 15.497 ( -0.080 -2.261 0.542) 2.327 15.944 ( 3.561 -3.943 16.745) 17.567 16.040 ( 0.109 -0.861 -2.004) 2.184 16.406 ( -0.715 3.278 1.008) 3.503 17.030 ( -0.173 -1.451 -0.490) 1.542 24.531 ( -0.361 -1.125 -0.024) 1.182 24.623 ( -0.876 0.257 0.212) 0.937 24.690 ( -0.314 2.153 -0.246) 2.189 24.728 ( 0.297 0.251 0.051) 0.392 26.121 ( 2.966 -4.573 1.972) 5.796 26.187 ( 1.396 -0.623 0.829) 1.739 26.311 ( -0.261 -0.816 2.779) 2.908 26.336 ( -0.027 -2.682 -1.811) 3.236 26.666 ( -2.788 -2.324 0.475) 3.661 27.102 ( 4.569 -1.385 3.058) 5.669 27.328 ( -5.302 12.044 0.682) 13.177 27.771 ( 9.152 -4.170 -23.853) 25.887 28.592 ( 0.035 1.924 -0.240) 1.940 29.013 ( 4.049 -1.940 14.875) 15.538 29.183 ( 0.828 -2.770 0.509) 2.935 29.798 ( -2.498 -2.969 -0.108) 3.881 ======================= Grid point 7 (6/80) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 13.105 7.222 -0.249) 14.965 1.121 ( 15.315 17.577 -2.214) 23.418 1.364 ( -9.684 0.952 8.087) 12.653 1.518 ( -13.573 7.594 -1.442) 15.620 1.697 ( 5.494 2.753 5.810) 8.457 1.784 ( 1.642 1.953 -2.159) 3.342 1.897 ( 7.067 6.224 3.073) 9.906 1.941 ( -0.728 1.077 3.372) 3.614 2.040 ( -2.143 2.733 3.415) 4.870 2.060 ( 3.249 -0.220 0.587) 3.309 2.113 ( 1.147 7.452 -3.176) 8.181 2.248 ( 6.768 3.312 -1.448) 7.673 2.452 ( -3.839 2.488 -2.136) 5.049 2.585 ( -11.745 2.940 -3.990) 12.747 2.864 ( -0.765 9.464 0.236) 9.498 2.960 ( 4.142 -5.165 -4.488) 7.999 3.059 ( 1.184 -0.154 0.394) 1.257 3.072 ( -0.551 -1.917 1.634) 2.579 3.117 ( -7.111 5.245 -0.701) 8.864 3.148 ( -1.312 -0.517 1.931) 2.391 3.194 ( 0.008 2.666 -0.199) 2.673 3.304 ( -1.384 -1.602 0.220) 2.128 3.434 ( -3.207 2.371 0.977) 4.106 3.474 ( 0.676 -4.592 -1.856) 4.999 3.493 ( 4.366 1.387 -3.673) 5.871 3.561 ( -0.370 1.935 -2.442) 3.137 3.627 ( -3.544 6.867 1.916) 7.962 3.713 ( 2.960 -1.315 -2.274) 3.957 3.770 ( -1.398 2.110 1.236) 2.817 3.859 ( 1.934 3.346 -1.881) 4.298 4.017 ( -0.377 6.421 0.820) 6.484 4.098 ( -0.137 3.669 0.839) 3.767 4.413 ( 0.670 3.254 0.715) 3.399 4.482 ( 5.618 -8.771 2.501) 10.712 4.750 ( -1.383 -1.807 -0.951) 2.466 5.027 ( 3.109 -1.155 -1.994) 3.870 5.171 ( -1.334 -4.671 0.191) 4.862 5.320 ( -1.645 6.321 -0.520) 6.553 5.425 ( -0.099 -3.327 1.627) 3.705 5.498 ( 0.631 5.014 -0.894) 5.132 6.056 ( -0.111 10.141 -0.009) 10.141 6.430 ( -0.211 -2.076 -0.346) 2.115 6.546 ( -0.219 1.329 -0.335) 1.388 6.738 ( 0.130 -4.750 -0.565) 4.785 6.893 ( 0.723 -10.604 1.568) 10.744 7.129 ( -0.119 -6.114 2.090) 6.463 7.155 ( 0.180 3.320 -3.372) 4.735 7.304 ( 0.026 -5.893 1.445) 6.068 7.543 ( 2.317 3.956 5.479) 7.144 7.598 ( -0.841 12.535 -6.248) 14.031 7.747 ( 1.738 -1.074 0.788) 2.190 8.177 ( 3.618 1.249 -4.461) 5.878 8.235 ( 0.118 -4.118 3.159) 5.191 8.243 ( -0.277 -3.860 3.735) 5.379 8.282 ( -2.820 0.410 -9.447) 9.867 8.431 ( -1.108 -4.107 8.520) 9.523 9.103 ( -0.349 4.553 -0.472) 4.591 9.280 ( -0.556 -1.889 -0.196) 1.978 9.412 ( -0.221 -1.044 0.628) 1.238 9.716 ( 0.064 -0.272 -0.225) 0.359 10.276 ( -0.126 -1.497 -0.310) 1.534 10.567 ( -0.336 -5.437 0.498) 5.470 11.105 ( -0.112 5.764 -0.070) 5.765 12.121 ( 0.061 -6.317 0.047) 6.318 12.567 ( -0.112 -3.492 -0.194) 3.499 12.786 ( -0.072 -7.973 0.077) 7.974 13.019 ( -1.326 11.947 0.126) 12.021 13.136 ( 0.741 4.267 0.246) 4.338 13.684 ( -0.174 3.267 0.477) 3.306 14.061 ( 1.957 -1.584 1.290) 2.829 14.231 ( 0.443 -13.948 -1.706) 14.059 14.246 ( -2.624 -0.644 -0.414) 2.734 14.715 ( 0.488 5.686 -0.273) 5.713 14.775 ( 3.256 -10.765 -5.684) 12.601 15.148 ( -0.167 0.061 0.025) 0.179 15.498 ( 0.014 -2.466 0.171) 2.472 16.014 ( 0.949 -3.622 11.214) 11.823 16.035 ( -0.017 -1.698 -5.288) 5.554 16.397 ( -0.264 2.985 0.492) 3.037 17.025 ( -0.124 -1.407 -0.255) 1.435 24.524 ( -0.213 -0.964 -0.022) 0.987 24.616 ( -0.099 -0.015 0.183) 0.209 24.683 ( -0.196 2.039 -0.171) 2.056 24.733 ( 0.178 -0.029 0.023) 0.181 26.148 ( 0.295 -1.496 0.393) 1.575 26.222 ( 1.146 -4.033 0.553) 4.229 26.300 ( -0.658 -1.608 0.906) 1.959 26.341 ( 0.317 -2.104 -0.433) 2.171 26.637 ( -0.510 -2.722 0.016) 2.769 27.178 ( 2.505 12.285 3.449) 13.004 27.251 ( -2.491 1.011 -2.444) 3.633 27.845 ( 2.002 -3.671 -8.573) 9.538 28.592 ( 0.025 1.900 -0.086) 1.902 29.077 ( 0.847 -2.399 5.104) 5.703 29.200 ( 0.504 -2.259 0.694) 2.417 29.761 ( -0.943 -3.277 -0.089) 3.411 ======================= Grid point 10 (7/80) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 0.000 18.918 0.000) 18.918 0.987 ( 0.000 21.800 0.000) 21.800 1.718 ( 0.000 -3.818 0.000) 3.818 1.740 ( 0.000 14.636 0.000) 14.636 1.794 ( 0.000 2.542 0.000) 2.542 1.879 ( 0.000 5.009 0.000) 5.009 2.002 ( 0.000 11.735 0.000) 11.735 2.031 ( 0.000 8.749 0.000) 8.749 2.120 ( 0.000 5.276 0.000) 5.276 2.140 ( 0.000 11.385 0.000) 11.385 2.269 ( 0.000 6.122 0.000) 6.122 2.467 ( 0.000 2.977 0.000) 2.977 2.505 ( 0.000 8.795 0.000) 8.795 2.617 ( 0.000 1.177 0.000) 1.177 2.830 ( 0.000 -0.133 0.000) 0.133 2.880 ( 0.000 -0.019 0.000) 0.019 3.018 ( 0.000 2.501 0.000) 2.501 3.120 ( 0.000 2.085 0.000) 2.085 3.143 ( 0.000 -4.533 0.000) 4.533 3.194 ( 0.000 2.559 0.000) 2.559 3.286 ( 0.000 -1.645 0.000) 1.645 3.331 ( 0.000 -1.834 0.000) 1.834 3.494 ( 0.000 -1.644 0.000) 1.644 3.566 ( 0.000 4.008 0.000) 4.008 3.584 ( 0.000 1.045 0.000) 1.045 3.621 ( 0.000 -1.909 0.000) 1.909 3.634 ( 0.000 0.903 0.000) 0.903 3.657 ( 0.000 -3.902 0.000) 3.902 3.871 ( 0.000 -1.101 0.000) 1.101 3.896 ( 0.000 6.217 0.000) 6.217 4.153 ( 0.000 1.635 0.000) 1.635 4.166 ( 0.000 10.556 0.000) 10.556 4.420 ( 0.000 10.970 0.000) 10.970 4.562 ( 0.000 10.934 0.000) 10.934 4.650 ( 0.000 -0.607 0.000) 0.607 4.898 ( 0.000 4.073 0.000) 4.073 5.178 ( 0.000 -2.380 0.000) 2.380 5.338 ( 0.000 -4.487 0.000) 4.487 5.471 ( 0.000 -1.254 0.000) 1.254 5.561 ( 0.000 7.040 0.000) 7.040 6.267 ( 0.000 10.424 0.000) 10.424 6.453 ( 0.000 -4.694 0.000) 4.694 6.537 ( 0.000 -1.509 0.000) 1.509 6.643 ( 0.000 0.208 0.000) 0.208 6.705 ( 0.000 -0.215 0.000) 0.215 6.869 ( 0.000 -7.603 0.000) 7.603 7.059 ( 0.000 -6.447 0.000) 6.447 7.284 ( 0.000 -3.330 0.000) 3.330 7.443 ( 0.000 -0.024 0.000) 0.024 7.652 ( 0.000 -2.922 0.000) 2.922 7.749 ( 0.000 5.867 0.000) 5.867 7.958 ( 0.000 1.977 0.000) 1.977 8.136 ( 0.000 -4.101 0.000) 4.101 8.205 ( 0.000 -1.412 0.000) 1.412 8.392 ( 0.000 1.722 0.000) 1.722 8.452 ( 0.000 -3.671 0.000) 3.671 9.211 ( 0.000 4.290 0.000) 4.290 9.255 ( 0.000 -2.502 0.000) 2.502 9.413 ( 0.000 -1.522 0.000) 1.522 9.683 ( 0.000 -3.404 0.000) 3.404 10.221 ( 0.000 -2.611 0.000) 2.611 10.423 ( 0.000 -9.367 0.000) 9.367 11.323 ( 0.000 9.933 0.000) 9.933 11.981 ( 0.000 -6.881 0.000) 6.881 12.483 ( 0.000 -5.163 0.000) 5.163 12.604 ( 0.000 -10.275 0.000) 10.275 13.207 ( 0.000 5.911 0.000) 5.911 13.523 ( 0.000 6.904 0.000) 6.904 13.677 ( 0.000 6.658 0.000) 6.658 13.924 ( 0.000 -12.587 0.000) 12.587 14.045 ( 0.000 -2.457 0.000) 2.457 14.137 ( 0.000 -1.887 0.000) 1.887 14.375 ( 0.000 2.018 0.000) 2.018 14.750 ( 0.000 -0.298 0.000) 0.298 15.159 ( 0.000 0.580 0.000) 0.580 15.437 ( 0.000 -4.090 0.000) 4.090 15.910 ( 0.000 2.704 0.000) 2.704 16.030 ( 0.000 -0.333 0.000) 0.333 16.499 ( 0.000 5.320 0.000) 5.320 16.982 ( 0.000 -3.710 0.000) 3.710 24.519 ( 0.000 -0.243 0.000) 0.243 24.621 ( 0.000 -1.454 0.000) 1.454 24.737 ( 0.000 1.884 0.000) 1.884 24.738 ( 0.000 0.836 0.000) 0.836 26.038 ( 0.000 -0.163 0.000) 0.163 26.203 ( 0.000 1.606 0.000) 1.606 26.258 ( 0.000 -5.128 0.000) 5.128 26.298 ( 0.000 -0.618 0.000) 0.618 26.667 ( 0.000 -1.760 0.000) 1.760 26.860 ( 0.000 -6.634 0.000) 6.634 27.676 ( 0.000 9.497 0.000) 9.497 27.755 ( 0.000 9.025 0.000) 9.025 28.648 ( 0.000 3.786 0.000) 3.786 29.042 ( 0.000 7.315 0.000) 7.315 29.096 ( 0.000 -4.750 0.000) 4.750 29.713 ( 0.000 -7.676 0.000) 7.676 ======================= Grid point 11 (8/80) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 3.987 16.031 3.219) 16.830 1.096 ( 11.023 16.374 3.675) 20.078 1.612 ( -8.938 1.343 1.370) 9.141 1.741 ( -0.937 3.268 -5.048) 6.086 1.837 ( 6.289 5.233 0.521) 8.197 1.882 ( -2.162 6.020 0.659) 6.430 1.970 ( -1.312 3.374 4.746) 5.969 2.030 ( -0.985 11.036 3.778) 11.707 2.122 ( -10.859 9.241 1.214) 14.310 2.167 ( -1.624 4.659 1.836) 5.265 2.207 ( 3.685 6.273 -3.828) 8.221 2.342 ( 1.038 15.173 3.982) 15.721 2.527 ( 0.337 1.221 -2.170) 2.512 2.720 ( 2.438 2.316 1.461) 3.666 2.798 ( -0.596 -0.506 -0.567) 0.966 2.915 ( 1.405 -0.815 -0.902) 1.858 2.999 ( -0.483 0.728 -0.971) 1.306 3.084 ( -2.446 -2.339 -1.804) 3.835 3.135 ( 0.881 1.326 0.475) 1.661 3.220 ( 1.267 1.631 -2.960) 3.610 3.320 ( 1.065 -4.423 -1.657) 4.842 3.324 ( -0.662 -1.481 2.085) 2.642 3.457 ( 0.430 -0.286 -5.070) 5.096 3.517 ( -3.869 4.885 -1.127) 6.333 3.558 ( -3.864 0.877 1.426) 4.211 3.598 ( -1.678 -0.639 -1.428) 2.294 3.694 ( 4.915 1.577 -1.145) 5.287 3.755 ( 6.487 1.233 2.541) 7.075 3.814 ( -1.369 9.803 -5.612) 11.378 3.982 ( 1.817 -0.985 2.316) 3.104 4.109 ( -1.069 6.770 -0.085) 6.854 4.209 ( -0.979 1.897 1.133) 2.416 4.326 ( -1.470 12.170 -2.099) 12.437 4.533 ( -1.026 9.846 3.307) 10.437 4.705 ( 1.520 -1.997 -4.085) 4.794 4.936 ( 3.347 2.054 1.366) 4.157 5.159 ( -1.955 -2.232 0.519) 3.012 5.343 ( 0.109 -4.688 4.767) 6.687 5.488 ( 1.413 2.144 -3.156) 4.069 5.551 ( -0.692 5.765 -0.101) 5.807 6.268 ( 0.125 10.509 0.211) 10.512 6.405 ( -2.133 -2.108 -0.417) 3.028 6.567 ( 1.103 -0.017 -2.550) 2.779 6.672 ( 0.962 -3.141 5.974) 6.818 6.717 ( 1.117 -1.901 -0.367) 2.235 6.924 ( 4.295 -10.858 -3.128) 12.088 7.043 ( -0.848 -6.997 -1.076) 7.130 7.248 ( -2.549 -3.155 1.582) 4.354 7.509 ( 4.165 -0.364 2.060) 4.661 7.673 ( 1.557 -2.538 -1.031) 3.151 7.795 ( 4.398 7.158 -3.314) 9.031 7.981 ( 2.042 -0.924 4.386) 4.926 8.143 ( 0.674 -4.177 -0.778) 4.302 8.195 ( -0.740 -1.394 -0.704) 1.728 8.398 ( 0.421 1.767 -2.466) 3.063 8.424 ( -2.742 -2.623 4.466) 5.861 9.205 ( -0.369 4.202 -2.068) 4.698 9.249 ( -0.709 -2.355 1.352) 2.807 9.400 ( -1.053 -1.576 0.447) 1.947 9.683 ( -0.024 -3.518 -0.342) 3.535 10.228 ( 0.627 -2.466 -0.460) 2.586 10.424 ( 0.080 -8.694 0.614) 8.716 11.299 ( -1.793 10.462 -0.225) 10.617 11.982 ( 0.062 -6.928 0.118) 6.929 12.482 ( -0.058 -5.102 -0.460) 5.123 12.602 ( -0.182 -10.268 0.160) 10.271 13.215 ( 0.691 5.576 -0.136) 5.620 13.386 ( -7.112 13.012 1.001) 14.863 13.756 ( 2.572 4.990 0.837) 5.676 13.928 ( 0.241 -12.784 0.708) 12.806 14.000 ( -0.232 -2.209 0.001) 2.221 14.262 ( 2.931 -6.002 -3.272) 7.438 14.418 ( 7.108 -1.610 -3.687) 8.168 14.757 ( 0.383 -0.389 2.044) 2.116 15.157 ( -0.250 0.578 0.074) 0.634 15.434 ( -0.267 -4.122 0.509) 4.162 15.933 ( 1.607 1.389 4.407) 4.892 16.027 ( -0.265 -0.394 -1.323) 1.405 16.492 ( -0.658 5.401 0.607) 5.475 16.980 ( -0.145 -3.711 -0.455) 3.741 24.517 ( -0.207 -0.152 -0.002) 0.257 24.615 ( -0.465 -1.051 0.254) 1.177 24.730 ( -0.377 1.661 -0.309) 1.732 24.738 ( -0.090 0.862 0.077) 0.870 26.062 ( 1.842 -1.597 1.090) 2.671 26.185 ( -1.347 -0.846 -1.034) 1.897 26.265 ( 0.411 -2.649 0.590) 2.745 26.305 ( 0.483 -0.736 0.402) 0.968 26.642 ( -1.524 -0.310 0.423) 1.612 26.924 ( 4.543 -9.603 -0.615) 10.641 27.633 ( -2.881 13.784 5.809) 15.233 27.804 ( 3.750 4.950 -10.491) 12.191 28.648 ( 0.024 3.797 -0.355) 3.814 29.063 ( 1.139 4.336 3.085) 5.442 29.109 ( 1.252 -3.538 1.359) 3.991 29.694 ( -1.556 -7.079 -0.345) 7.256 ======================= Grid point 12 (9/80) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 5.492 8.181 1.426) 9.955 1.350 ( 7.501 4.683 6.438) 10.938 1.433 ( -3.804 7.240 -4.101) 9.149 1.678 ( -5.433 5.140 -1.939) 7.726 1.786 ( -4.453 7.033 1.192) 8.409 1.895 ( -3.781 8.463 -0.516) 9.283 1.961 ( -1.130 -0.547 2.404) 2.712 1.994 ( 2.277 3.713 -0.060) 4.356 2.021 ( -1.337 2.378 1.666) 3.197 2.135 ( 1.622 6.449 5.013) 8.328 2.297 ( 5.288 10.999 -3.062) 12.583 2.467 ( 2.762 12.469 1.357) 12.843 2.492 ( 0.441 2.086 2.035) 2.947 2.652 ( -7.205 2.562 -3.751) 8.517 2.826 ( 2.207 -4.939 -1.218) 5.545 2.938 ( 0.856 -4.339 0.328) 4.435 3.032 ( 3.668 0.983 0.155) 3.800 3.095 ( 2.606 1.147 -1.934) 3.443 3.153 ( 0.963 2.778 0.916) 3.080 3.208 ( -1.592 -0.874 -3.514) 3.956 3.280 ( -1.902 -0.318 1.242) 2.293 3.311 ( -4.891 5.297 1.125) 7.298 3.378 ( -4.568 0.845 0.200) 4.650 3.490 ( -0.576 2.578 0.030) 2.642 3.511 ( 0.974 -0.212 -2.017) 2.249 3.583 ( 0.721 2.696 -1.498) 3.167 3.780 ( 1.243 5.848 1.718) 6.220 3.792 ( 0.659 9.403 -4.455) 10.426 3.842 ( 1.973 4.142 0.906) 4.676 3.990 ( -0.176 6.874 -2.038) 7.172 4.108 ( 0.114 2.633 2.016) 3.319 4.153 ( -1.302 2.501 -0.298) 2.836 4.381 ( 2.646 2.288 -0.016) 3.498 4.529 ( -0.014 8.910 2.024) 9.137 4.699 ( -0.673 -2.661 -1.292) 3.034 5.017 ( 3.900 -0.477 -0.104) 3.931 5.104 ( -3.216 -2.945 0.795) 4.433 5.350 ( -0.095 -2.912 2.105) 3.594 5.504 ( 0.482 8.707 -1.380) 8.829 5.541 ( -0.197 0.722 -0.186) 0.771 6.271 ( 0.092 10.685 0.148) 10.687 6.379 ( -0.514 -1.862 -0.074) 1.933 6.576 ( 0.215 1.624 -0.937) 1.887 6.686 ( 0.135 -1.786 0.581) 1.883 6.738 ( 0.512 -5.220 1.279) 5.399 6.961 ( -0.173 -10.022 -0.326) 10.028 7.061 ( 2.138 -12.102 -2.225) 12.489 7.205 ( -1.665 -2.266 1.344) 3.116 7.568 ( 1.185 0.377 1.057) 1.632 7.702 ( 1.045 -3.312 -0.387) 3.495 7.863 ( 1.921 11.199 -2.367) 11.606 8.051 ( 2.823 -7.226 3.938) 8.700 8.158 ( 0.872 -4.231 -1.162) 4.473 8.180 ( -0.461 -1.528 -1.049) 1.910 8.351 ( -2.885 1.283 -0.213) 3.165 8.415 ( 0.199 1.001 1.664) 1.952 9.195 ( -0.146 4.359 -1.496) 4.611 9.235 ( -0.626 -2.302 1.009) 2.590 9.384 ( -0.476 -1.892 0.342) 1.981 9.682 ( -0.039 -3.702 -0.183) 3.707 10.238 ( 0.274 -2.007 -0.306) 2.048 10.427 ( 0.072 -7.811 0.391) 7.821 11.270 ( -0.781 10.439 -0.093) 10.468 11.984 ( 0.025 -7.027 0.074) 7.027 12.480 ( -0.031 -4.996 -0.281) 5.004 12.598 ( -0.116 -10.249 0.101) 10.250 13.229 ( 0.491 5.048 -0.185) 5.075 13.295 ( -2.117 14.898 0.604) 15.060 13.775 ( 0.011 5.426 0.193) 5.430 13.932 ( 0.063 -13.647 0.328) 13.651 14.027 ( 1.577 -2.693 0.708) 3.200 14.245 ( -1.474 -1.525 -1.760) 2.756 14.559 ( 4.470 -8.915 -3.061) 10.432 14.766 ( 0.056 -0.570 1.595) 1.694 15.152 ( -0.159 0.581 0.037) 0.604 15.430 ( -0.135 -4.254 0.308) 4.268 15.974 ( 1.306 -0.327 4.225) 4.434 16.014 ( -0.574 -0.401 -2.437) 2.536 16.481 ( -0.375 5.441 0.348) 5.465 16.977 ( -0.099 -3.695 -0.264) 3.706 24.513 ( -0.121 -0.008 0.000) 0.121 24.608 ( -0.143 -0.791 0.175) 0.822 24.723 ( -0.217 1.781 -0.154) 1.801 24.736 ( -0.042 0.375 0.002) 0.378 26.102 ( 1.614 -2.591 1.052) 3.229 26.153 ( -1.379 -3.103 -0.972) 3.532 26.272 ( 0.144 -0.745 0.255) 0.800 26.314 ( 0.274 -0.914 0.198) 0.974 26.622 ( -0.428 0.494 0.115) 0.664 26.994 ( 1.890 -11.875 -0.168) 12.025 27.600 ( -0.958 16.696 2.057) 16.849 27.844 ( 1.341 2.851 -4.639) 5.608 28.648 ( 0.021 3.794 -0.183) 3.799 29.081 ( 0.308 0.247 0.811) 0.902 29.141 ( 1.009 -1.385 1.629) 2.364 29.664 ( -0.924 -6.416 -0.248) 6.486 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.000 14.706 0.000) 14.706 1.343 ( 0.000 14.452 0.000) 14.452 1.608 ( 0.000 -7.137 0.000) 7.137 1.735 ( 0.000 -6.431 0.000) 6.431 1.877 ( 0.000 5.302 0.000) 5.302 1.948 ( 0.000 2.018 0.000) 2.018 2.161 ( 0.000 6.439 0.000) 6.439 2.190 ( 0.000 4.563 0.000) 4.563 2.241 ( 0.000 4.398 0.000) 4.398 2.386 ( 0.000 7.027 0.000) 7.027 2.427 ( 0.000 10.270 0.000) 10.270 2.555 ( 0.000 5.471 0.000) 5.471 2.620 ( 0.000 -1.059 0.000) 1.059 2.639 ( 0.000 3.197 0.000) 3.197 2.816 ( 0.000 -1.235 0.000) 1.235 2.889 ( 0.000 0.766 0.000) 0.766 3.030 ( 0.000 -4.119 0.000) 4.119 3.115 ( 0.000 1.587 0.000) 1.587 3.212 ( 0.000 4.680 0.000) 4.680 3.232 ( 0.000 0.566 0.000) 0.566 3.294 ( 0.000 6.934 0.000) 6.934 3.298 ( 0.000 -0.531 0.000) 0.531 3.461 ( 0.000 -1.089 0.000) 1.089 3.565 ( 0.000 -3.421 0.000) 3.421 3.581 ( 0.000 0.957 0.000) 0.957 3.610 ( 0.000 -0.734 0.000) 0.734 3.617 ( 0.000 0.148 0.000) 0.148 3.710 ( 0.000 6.081 0.000) 6.081 3.864 ( 0.000 -0.249 0.000) 0.249 3.930 ( 0.000 -5.542 0.000) 5.542 4.187 ( 0.000 3.893 0.000) 3.893 4.278 ( 0.000 1.516 0.000) 1.516 4.664 ( 0.000 12.058 0.000) 12.058 4.697 ( 0.000 5.244 0.000) 5.244 4.837 ( 0.000 14.506 0.000) 14.506 4.981 ( 0.000 3.225 0.000) 3.225 5.139 ( 0.000 -0.868 0.000) 0.868 5.244 ( 0.000 -4.682 0.000) 4.682 5.416 ( 0.000 -2.745 0.000) 2.745 5.623 ( 0.000 -2.271 0.000) 2.271 6.413 ( 0.000 0.301 0.000) 0.301 6.419 ( 0.000 3.978 0.000) 3.978 6.531 ( 0.000 1.262 0.000) 1.262 6.680 ( 0.000 -4.293 0.000) 4.293 6.692 ( 0.000 4.640 0.000) 4.640 6.750 ( 0.000 -2.049 0.000) 2.049 6.962 ( 0.000 -2.711 0.000) 2.711 7.163 ( 0.000 -8.069 0.000) 8.069 7.427 ( 0.000 -0.551 0.000) 0.551 7.556 ( 0.000 -5.749 0.000) 5.749 7.879 ( 0.000 7.825 0.000) 7.825 8.026 ( 0.000 2.260 0.000) 2.260 8.074 ( 0.000 -1.985 0.000) 1.985 8.232 ( 0.000 3.602 0.000) 3.602 8.310 ( 0.000 -9.073 0.000) 9.073 8.410 ( 0.000 -0.519 0.000) 0.519 9.222 ( 0.000 -0.483 0.000) 0.483 9.276 ( 0.000 1.324 0.000) 1.324 9.381 ( 0.000 -0.348 0.000) 0.348 9.581 ( 0.000 -6.659 0.000) 6.659 10.187 ( 0.000 -0.644 0.000) 0.644 10.274 ( 0.000 -5.641 0.000) 5.641 11.525 ( 0.000 10.382 0.000) 10.382 11.856 ( 0.000 -6.290 0.000) 6.290 12.389 ( 0.000 -3.998 0.000) 3.998 12.425 ( 0.000 -7.127 0.000) 7.127 13.324 ( 0.000 6.157 0.000) 6.157 13.599 ( 0.000 -3.930 0.000) 3.930 13.760 ( 0.000 0.718 0.000) 0.718 13.796 ( 0.000 4.737 0.000) 4.737 14.010 ( 0.000 -1.319 0.000) 1.319 14.080 ( 0.000 -3.905 0.000) 3.905 14.443 ( 0.000 5.127 0.000) 5.127 14.692 ( 0.000 -5.222 0.000) 5.222 15.186 ( 0.000 2.315 0.000) 2.315 15.346 ( 0.000 -4.996 0.000) 4.996 15.962 ( 0.000 2.523 0.000) 2.523 16.023 ( 0.000 -0.571 0.000) 0.571 16.619 ( 0.000 6.788 0.000) 6.788 16.887 ( 0.000 -5.961 0.000) 5.961 24.527 ( 0.000 0.960 0.000) 0.960 24.588 ( 0.000 -1.802 0.000) 1.802 24.755 ( 0.000 0.826 0.000) 0.826 24.763 ( 0.000 0.735 0.000) 0.735 26.047 ( 0.000 1.152 0.000) 1.152 26.159 ( 0.000 -4.624 0.000) 4.624 26.235 ( 0.000 1.612 0.000) 1.612 26.284 ( 0.000 -0.874 0.000) 0.874 26.658 ( 0.000 0.636 0.000) 0.636 26.753 ( 0.000 -4.327 0.000) 4.327 27.834 ( 0.000 6.449 0.000) 6.449 27.890 ( 0.000 4.341 0.000) 4.341 28.739 ( 0.000 5.421 0.000) 5.421 28.982 ( 0.000 -6.285 0.000) 6.285 29.205 ( 0.000 8.640 0.000) 8.640 29.550 ( 0.000 -8.797 0.000) 8.797 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -1.357 11.712 5.135) 12.860 1.355 ( 2.269 9.174 3.084) 9.941 1.626 ( -5.001 -0.130 -0.661) 5.046 1.666 ( 2.278 -6.909 -1.881) 7.514 1.911 ( 0.721 3.587 -1.723) 4.044 1.942 ( 0.072 0.172 1.766) 1.776 2.072 ( -3.869 7.378 3.520) 9.044 2.185 ( -5.225 4.958 2.270) 7.552 2.290 ( -1.903 6.046 -3.223) 7.111 2.343 ( 1.480 7.313 -1.209) 7.559 2.362 ( -2.642 11.326 1.094) 11.682 2.535 ( -0.789 4.654 4.029) 6.206 2.608 ( -1.291 2.319 -0.966) 2.824 2.681 ( 2.799 -4.201 4.166) 6.545 2.781 ( -2.822 -1.240 -0.252) 3.093 2.881 ( -2.184 -2.493 -0.239) 3.323 3.025 ( 0.699 -1.821 -1.991) 2.787 3.080 ( -1.724 2.701 -4.577) 5.587 3.196 ( 1.342 -0.970 -0.249) 1.674 3.226 ( -2.465 0.875 -2.417) 3.562 3.288 ( 0.813 4.936 -2.813) 5.739 3.329 ( 0.488 2.970 2.518) 3.925 3.440 ( -0.338 -1.014 -1.005) 1.467 3.544 ( -2.441 -0.882 -1.084) 2.813 3.593 ( 1.129 2.872 -0.434) 3.116 3.654 ( 1.787 4.761 -0.582) 5.119 3.710 ( 8.938 0.353 -0.789) 8.979 3.795 ( 6.792 3.174 1.480) 7.641 3.925 ( 4.749 -2.061 0.216) 5.182 3.939 ( 0.891 -2.414 -2.873) 3.857 4.164 ( -2.384 2.846 -0.658) 3.770 4.251 ( -2.479 1.147 -0.762) 2.835 4.629 ( -1.672 14.586 -1.960) 14.812 4.697 ( -0.872 4.460 1.994) 4.962 4.822 ( -1.395 15.239 -0.315) 15.306 4.959 ( -0.911 -0.763 1.443) 1.869 5.109 ( -2.970 -2.552 1.938) 4.369 5.250 ( 1.000 -4.210 3.983) 5.882 5.475 ( 3.741 -1.192 -1.058) 4.067 5.626 ( 0.404 -0.929 -1.005) 1.426 6.397 ( -0.991 1.342 -0.840) 1.868 6.421 ( 0.110 3.875 0.764) 3.951 6.557 ( 2.170 0.041 -0.591) 2.250 6.659 ( -1.547 -0.429 6.641) 6.832 6.710 ( 0.238 0.603 -4.172) 4.222 6.751 ( 0.835 -4.603 -2.594) 5.350 6.944 ( -1.230 -2.131 -1.409) 2.835 7.144 ( -1.479 -7.015 0.335) 7.177 7.474 ( 3.534 -1.868 1.393) 4.233 7.581 ( 1.934 -5.793 -0.273) 6.113 7.909 ( 2.898 6.321 -0.004) 6.954 8.031 ( 0.118 2.346 2.152) 3.186 8.077 ( 0.411 -2.299 -0.584) 2.407 8.225 ( -0.577 3.172 -1.801) 3.693 8.305 ( -0.550 -7.230 1.272) 7.362 8.417 ( 0.570 -0.518 0.332) 0.839 9.215 ( -0.453 -0.346 -1.039) 1.186 9.273 ( -0.277 1.466 0.467) 1.563 9.367 ( -1.179 -0.342 0.188) 1.241 9.577 ( -0.290 -6.876 -0.244) 6.886 10.196 ( 0.815 -0.601 -0.267) 1.047 10.283 ( 0.666 -5.493 0.271) 5.540 11.511 ( -1.173 10.839 0.023) 10.902 11.855 ( -0.121 -6.476 0.144) 6.479 12.389 ( 0.030 -3.974 -0.631) 4.024 12.424 ( -0.117 -7.063 0.276) 7.069 13.326 ( 0.242 5.942 -0.168) 5.950 13.572 ( -2.077 1.036 0.513) 2.377 13.732 ( -0.662 -0.408 0.467) 0.907 13.866 ( 3.241 3.897 1.053) 5.177 13.963 ( -1.966 -1.653 -0.195) 2.576 14.124 ( 2.220 -7.339 -1.949) 7.911 14.459 ( 1.664 4.653 -1.021) 5.046 14.699 ( 0.407 -5.151 1.412) 5.357 15.184 ( -0.200 2.348 -0.082) 2.358 15.343 ( -0.244 -4.962 0.191) 4.972 15.970 ( 0.586 2.037 1.180) 2.426 16.020 ( -0.229 -0.446 -0.599) 0.781 16.613 ( -0.485 6.893 0.244) 6.915 16.884 ( -0.184 -5.997 -0.278) 6.007 24.526 ( -0.082 1.023 0.076) 1.029 24.587 ( -0.133 -1.671 0.221) 1.691 24.751 ( -0.300 0.785 -0.111) 0.848 24.758 ( -0.404 0.711 -0.114) 0.826 26.051 ( 0.418 0.419 0.333) 0.679 26.134 ( -1.763 -3.456 -1.222) 4.068 26.253 ( 1.162 0.750 0.784) 1.590 26.290 ( 0.441 -0.808 0.449) 1.024 26.651 ( -0.433 1.267 0.136) 1.346 26.776 ( 1.756 -5.699 -0.337) 5.973 27.837 ( -0.028 7.292 3.972) 8.304 27.900 ( 1.141 3.721 -4.931) 6.282 28.739 ( 0.071 5.485 -0.287) 5.493 28.986 ( 0.377 -6.366 -0.040) 6.377 29.212 ( 0.487 7.938 1.317) 8.062 29.540 ( -0.841 -8.420 -0.239) 8.465 ======================= Grid point 17 (12/80) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -1.053 6.185 2.930) 6.925 1.377 ( -1.825 -1.128 2.584) 3.359 1.583 ( 2.373 5.997 -1.610) 6.647 1.694 ( -0.684 -2.168 -1.177) 2.559 1.903 ( -1.048 0.949 2.327) 2.723 1.915 ( -1.430 0.473 -0.527) 1.596 2.050 ( -2.284 7.531 1.366) 7.988 2.101 ( -0.656 9.728 0.800) 9.783 2.211 ( 0.049 8.074 -0.053) 8.075 2.270 ( -3.552 9.516 -0.360) 10.164 2.461 ( 2.807 3.099 -1.184) 4.346 2.567 ( 0.021 4.167 1.825) 4.550 2.578 ( 2.538 1.117 2.258) 3.576 2.703 ( -2.619 2.651 -1.218) 3.920 2.728 ( -1.423 -5.538 -0.401) 5.732 2.808 ( -2.371 -7.013 -0.212) 7.406 3.063 ( 2.191 1.093 1.551) 2.899 3.071 ( 0.933 -2.113 -2.417) 3.343 3.177 ( -1.423 -1.269 -1.608) 2.494 3.247 ( 0.015 -3.530 -0.708) 3.600 3.267 ( -0.499 4.513 -0.364) 4.555 3.343 ( 2.550 7.083 -0.724) 7.562 3.425 ( -2.097 -0.610 1.069) 2.431 3.482 ( -1.802 -2.442 -1.163) 3.250 3.655 ( 2.789 6.449 -1.183) 7.125 3.665 ( -0.201 9.880 -0.351) 9.889 3.875 ( 5.149 1.684 0.369) 5.430 3.892 ( 1.632 2.672 0.270) 3.142 3.951 ( 2.044 2.395 -2.092) 3.780 4.013 ( 0.861 0.524 -0.979) 1.405 4.119 ( 0.503 -1.184 1.787) 2.202 4.184 ( -3.524 0.270 -1.831) 3.980 4.609 ( -0.197 14.339 -0.703) 14.357 4.679 ( -1.013 2.371 1.545) 3.006 4.794 ( -0.782 17.328 0.205) 17.346 4.972 ( 1.669 -4.297 0.321) 4.620 5.049 ( -2.802 -2.858 1.117) 4.155 5.278 ( 0.762 -4.746 2.255) 5.309 5.518 ( 0.658 -0.223 -0.756) 1.026 5.637 ( 0.605 1.298 -0.428) 1.494 6.381 ( -0.416 1.851 -0.262) 1.915 6.425 ( 0.090 3.845 0.231) 3.853 6.601 ( 1.963 -0.006 -1.704) 2.600 6.640 ( -1.339 -1.522 4.189) 4.654 6.698 ( -0.344 -0.283 -1.510) 1.574 6.762 ( 0.234 -7.118 -1.171) 7.218 6.925 ( -0.259 -1.537 -1.159) 1.943 7.118 ( -0.843 -6.060 0.226) 6.123 7.537 ( 1.746 -2.724 0.850) 3.346 7.612 ( 0.835 -5.371 -0.184) 5.439 7.976 ( 2.781 2.365 -1.320) 3.882 8.030 ( -0.641 2.717 3.067) 4.147 8.089 ( 0.650 -2.589 -0.552) 2.726 8.205 ( -0.812 1.912 -1.563) 2.600 8.298 ( -0.265 -3.199 0.923) 3.340 8.429 ( 0.380 -0.498 0.260) 0.678 9.205 ( -0.265 -0.176 -0.650) 0.724 9.268 ( -0.207 1.925 0.292) 1.958 9.345 ( -0.701 -0.580 0.119) 0.917 9.571 ( -0.204 -7.222 -0.149) 7.226 10.211 ( 0.486 -0.472 -0.175) 0.699 10.296 ( 0.404 -5.242 0.169) 5.260 11.489 ( -0.677 11.425 0.020) 11.445 11.853 ( -0.092 -6.766 0.087) 6.767 12.388 ( 0.031 -3.928 -0.379) 3.947 12.422 ( -0.081 -6.969 0.167) 6.971 13.331 ( 0.182 5.595 -0.105) 5.599 13.539 ( -0.921 5.291 0.336) 5.381 13.731 ( 0.190 -1.836 0.274) 1.866 13.876 ( -0.928 4.160 -0.189) 4.266 13.978 ( 1.671 -2.474 1.029) 3.158 14.141 ( 0.059 -8.940 -1.500) 9.065 14.495 ( 1.405 2.273 -0.736) 2.772 14.707 ( 0.137 -4.967 0.932) 5.056 15.180 ( -0.126 2.403 -0.053) 2.407 15.339 ( -0.150 -4.918 0.124) 4.922 15.986 ( 0.560 1.082 1.195) 1.706 16.012 ( -0.341 -0.060 -0.837) 0.906 16.604 ( -0.297 7.055 0.146) 7.063 16.880 ( -0.116 -6.052 -0.168) 6.056 24.524 ( -0.043 1.127 0.050) 1.129 24.585 ( -0.052 -1.516 0.145) 1.524 24.746 ( -0.113 0.624 -0.074) 0.638 24.749 ( -0.317 0.726 -0.074) 0.796 26.066 ( 0.885 -0.983 0.604) 1.454 26.097 ( -1.436 -2.415 -0.975) 2.974 26.272 ( 0.466 0.497 0.280) 0.737 26.299 ( 0.230 -0.726 0.283) 0.813 26.646 ( -0.123 1.875 0.039) 1.880 26.805 ( 0.879 -7.311 -0.148) 7.365 27.845 ( 0.084 8.349 2.279) 8.654 27.911 ( 0.572 3.079 -2.859) 4.241 28.740 ( 0.043 5.583 -0.174) 5.586 28.993 ( 0.235 -6.462 -0.035) 6.466 29.224 ( 0.326 6.790 0.832) 6.849 29.523 ( -0.546 -7.798 -0.171) 7.819 ======================= Grid point 20 (13/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 0.000 -10.435 0.000) 10.435 1.438 ( 0.000 10.435 0.000) 10.435 1.573 ( 0.000 -9.807 0.000) 9.807 1.573 ( 0.000 9.807 0.000) 9.807 1.952 ( 0.000 -1.750 0.000) 1.750 1.952 ( 0.000 1.750 0.000) 1.750 2.241 ( 0.000 -0.412 0.000) 0.412 2.241 ( 0.000 0.412 0.000) 0.412 2.346 ( 0.000 -7.759 0.000) 7.759 2.346 ( 0.000 7.759 0.000) 7.759 2.587 ( 0.000 -3.668 0.000) 3.668 2.587 ( 0.000 3.668 0.000) 3.668 2.636 ( 0.000 -1.498 0.000) 1.498 2.636 ( 0.000 1.498 0.000) 1.498 2.838 ( 0.000 -4.296 0.000) 4.296 2.838 ( 0.000 4.296 0.000) 4.296 3.055 ( 0.000 -4.679 0.000) 4.679 3.055 ( 0.000 4.679 0.000) 4.679 3.238 ( 0.000 -0.424 0.000) 0.424 3.238 ( 0.000 0.424 0.000) 0.424 3.357 ( 0.000 -3.740 0.000) 3.740 3.357 ( 0.000 3.740 0.000) 3.740 3.488 ( 0.000 -4.011 0.000) 4.011 3.488 ( 0.000 4.011 0.000) 4.011 3.607 ( 0.000 -0.262 0.000) 0.262 3.607 ( 0.000 0.262 0.000) 0.262 3.725 ( 0.000 -11.427 0.000) 11.427 3.725 ( 0.000 11.427 0.000) 11.427 3.827 ( 0.000 -3.618 0.000) 3.618 3.827 ( 0.000 3.618 0.000) 3.618 4.263 ( 0.000 -2.695 0.000) 2.695 4.263 ( 0.000 2.695 0.000) 2.695 4.795 ( 0.000 -1.352 0.000) 1.352 4.795 ( 0.000 1.352 0.000) 1.352 4.977 ( 0.000 -2.940 0.000) 2.940 4.977 ( 0.000 2.940 0.000) 2.940 5.182 ( 0.000 -2.328 0.000) 2.328 5.182 ( 0.000 2.328 0.000) 2.328 5.477 ( 0.000 -9.672 0.000) 9.672 5.477 ( 0.000 9.672 0.000) 9.672 6.435 ( 0.000 -1.110 0.000) 1.110 6.435 ( 0.000 1.110 0.000) 1.110 6.584 ( 0.000 -4.106 0.000) 4.106 6.584 ( 0.000 4.106 0.000) 4.106 6.750 ( 0.000 -0.129 0.000) 0.129 6.750 ( 0.000 0.129 0.000) 0.129 7.004 ( 0.000 -6.932 0.000) 6.932 7.004 ( 0.000 6.932 0.000) 6.932 7.457 ( 0.000 -3.760 0.000) 3.760 7.457 ( 0.000 3.760 0.000) 3.760 8.034 ( 0.000 -2.630 0.000) 2.630 8.034 ( 0.000 2.630 0.000) 2.630 8.086 ( 0.000 -8.120 0.000) 8.120 8.086 ( 0.000 8.120 0.000) 8.120 8.356 ( 0.000 -4.919 0.000) 4.919 8.356 ( 0.000 4.919 0.000) 4.919 9.245 ( 0.000 -2.587 0.000) 2.587 9.245 ( 0.000 2.587 0.000) 2.587 9.449 ( 0.000 -6.118 0.000) 6.118 9.449 ( 0.000 6.118 0.000) 6.118 10.200 ( 0.000 -2.113 0.000) 2.113 10.200 ( 0.000 2.113 0.000) 2.113 11.714 ( 0.000 -8.600 0.000) 8.600 11.714 ( 0.000 8.600 0.000) 8.600 12.349 ( 0.000 -0.532 0.000) 0.532 12.349 ( 0.000 0.532 0.000) 0.532 13.456 ( 0.000 -7.540 0.000) 7.540 13.456 ( 0.000 7.540 0.000) 7.540 13.831 ( 0.000 -1.921 0.000) 1.921 13.831 ( 0.000 1.921 0.000) 1.921 14.010 ( 0.000 -2.044 0.000) 2.044 14.010 ( 0.000 2.044 0.000) 2.044 14.567 ( 0.000 -6.991 0.000) 6.991 14.567 ( 0.000 6.991 0.000) 6.991 15.252 ( 0.000 -4.321 0.000) 4.321 15.252 ( 0.000 4.321 0.000) 4.321 16.003 ( 0.000 -1.558 0.000) 1.558 16.003 ( 0.000 1.558 0.000) 1.558 16.757 ( 0.000 -7.113 0.000) 7.113 16.757 ( 0.000 7.113 0.000) 7.113 24.553 ( 0.000 -1.681 0.000) 1.681 24.553 ( 0.000 1.681 0.000) 1.681 24.766 ( 0.000 -0.289 0.000) 0.289 24.766 ( 0.000 0.289 0.000) 0.289 26.085 ( 0.000 -2.870 0.000) 2.870 26.085 ( 0.000 2.870 0.000) 2.870 26.263 ( 0.000 -1.281 0.000) 1.281 26.263 ( 0.000 1.281 0.000) 1.281 26.688 ( 0.000 -2.410 0.000) 2.410 26.688 ( 0.000 2.410 0.000) 2.410 27.916 ( 0.000 -1.627 0.000) 1.627 27.916 ( 0.000 1.627 0.000) 1.627 28.856 ( 0.000 -6.406 0.000) 6.406 28.856 ( 0.000 6.406 0.000) 6.406 29.376 ( 0.000 -8.850 0.000) 8.850 29.376 ( 0.000 8.850 0.000) 8.850 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -5.088 -6.517 5.941) 10.181 1.391 ( -5.088 6.517 5.941) 10.181 1.596 ( 2.945 -1.546 -3.439) 4.784 1.596 ( 2.945 1.546 -3.439) 4.784 1.944 ( -1.105 -0.265 1.484) 1.869 1.944 ( -1.105 0.265 1.484) 1.869 2.205 ( -2.481 -4.142 2.389) 5.387 2.205 ( -2.481 4.142 2.389) 5.387 2.392 ( 3.226 -4.645 -2.929) 6.369 2.392 ( 3.226 4.645 -2.929) 6.369 2.520 ( -6.174 -5.072 -1.615) 8.152 2.520 ( -6.174 5.072 -1.615) 8.152 2.627 ( 0.445 -2.801 5.383) 6.084 2.627 ( 0.445 2.801 5.383) 6.084 2.803 ( -3.319 -4.427 0.104) 5.534 2.803 ( -3.319 4.427 0.104) 5.534 3.052 ( 1.228 -3.505 -4.389) 5.750 3.052 ( 1.228 3.505 -4.389) 5.750 3.202 ( -3.077 -1.918 -0.515) 3.662 3.202 ( -3.077 1.918 -0.515) 3.662 3.364 ( 1.257 -2.354 -0.466) 2.709 3.364 ( 1.257 2.354 -0.466) 2.709 3.485 ( -2.344 -4.722 1.392) 5.452 3.485 ( -2.344 4.722 1.392) 5.452 3.690 ( 6.982 -2.459 -2.099) 7.695 3.690 ( 6.982 2.459 -2.099) 7.695 3.771 ( 4.202 -8.699 -1.612) 9.795 3.771 ( 4.202 8.699 -1.612) 9.795 3.879 ( 4.657 -3.969 0.640) 6.152 3.879 ( 4.657 3.969 0.640) 6.152 4.235 ( -2.730 -2.779 -1.519) 4.181 4.235 ( -2.730 2.779 -1.519) 4.181 4.787 ( -1.232 -1.560 0.218) 2.000 4.787 ( -1.232 1.560 0.218) 2.000 4.943 ( -1.833 -2.594 1.024) 3.338 4.943 ( -1.833 2.594 1.024) 3.338 5.165 ( -1.668 -6.353 3.368) 7.381 5.165 ( -1.668 6.353 3.368) 7.381 5.520 ( 3.230 -6.700 -1.108) 7.520 5.520 ( 3.230 6.700 -1.108) 7.520 6.433 ( -0.175 -1.580 -0.299) 1.618 6.433 ( -0.175 1.580 -0.299) 1.618 6.592 ( 0.587 -3.437 0.311) 3.501 6.592 ( 0.587 3.437 0.311) 3.501 6.731 ( -1.457 -0.711 -0.762) 1.792 6.731 ( -1.457 0.711 -0.762) 1.792 6.999 ( -0.409 -6.880 -0.431) 6.906 6.999 ( -0.409 6.880 -0.431) 6.906 7.485 ( 2.210 -3.267 0.606) 3.990 7.485 ( 2.210 3.267 0.606) 3.990 8.040 ( 0.589 -2.644 -0.165) 2.714 8.040 ( 0.589 2.644 -0.165) 2.714 8.088 ( 0.129 -8.077 0.533) 8.096 8.088 ( 0.129 8.077 0.533) 8.096 8.363 ( 0.559 -5.021 0.092) 5.053 8.363 ( 0.559 5.021 0.092) 5.053 9.241 ( -0.324 -2.705 -0.186) 2.730 9.241 ( -0.324 2.705 -0.186) 2.730 9.440 ( -0.744 -6.428 -0.124) 6.472 9.440 ( -0.744 6.428 -0.124) 6.472 10.210 ( 0.818 -2.087 -0.038) 2.242 10.210 ( 0.818 2.087 -0.038) 2.242 11.708 ( -0.555 -8.938 0.150) 8.957 11.708 ( -0.555 8.938 0.150) 8.957 12.349 ( -0.001 -0.522 -0.188) 0.555 12.349 ( -0.001 0.522 -0.188) 0.555 13.455 ( -0.066 -7.334 -0.118) 7.335 13.455 ( -0.066 7.334 -0.118) 7.335 13.850 ( 1.487 -5.941 1.279) 6.257 13.850 ( 1.487 5.941 1.279) 6.257 13.994 ( -1.210 -5.154 -1.232) 5.435 13.994 ( -1.210 5.154 -1.232) 5.435 14.576 ( 0.778 -6.774 0.351) 6.827 14.576 ( 0.778 6.774 0.351) 6.827 15.250 ( -0.180 -4.311 -0.023) 4.315 15.250 ( -0.180 4.311 -0.023) 4.315 16.004 ( 0.063 -1.306 0.075) 1.310 16.004 ( 0.063 1.306 0.075) 1.310 16.753 ( -0.301 -7.195 -0.046) 7.202 16.753 ( -0.301 7.195 -0.046) 7.202 24.553 ( -0.034 -1.676 0.155) 1.683 24.553 ( -0.034 1.676 0.155) 1.683 24.762 ( -0.380 -0.263 -0.109) 0.475 24.762 ( -0.380 0.263 -0.109) 0.475 26.077 ( -0.661 -2.198 -0.390) 2.328 26.077 ( -0.661 2.198 -0.390) 2.328 26.272 ( 0.670 -1.015 0.484) 1.309 26.272 ( 0.670 1.015 0.484) 1.309 26.692 ( 0.383 -3.032 -0.085) 3.058 26.692 ( 0.383 3.032 -0.085) 3.058 27.923 ( 0.618 -1.542 -0.099) 1.664 27.923 ( 0.618 1.542 -0.099) 1.664 28.858 ( 0.209 -6.516 -0.131) 6.520 28.858 ( 0.209 6.516 -0.131) 6.520 29.373 ( -0.264 -8.464 0.185) 8.470 29.373 ( -0.264 8.464 0.185) 8.470 ======================= Grid point 24 (15/80) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -3.274 -6.243 2.568) 7.503 1.298 ( -3.274 6.243 2.568) 7.503 1.654 ( 2.126 -2.039 -1.085) 3.139 1.654 ( 2.126 2.039 -1.085) 3.139 1.910 ( -1.884 -0.510 1.626) 2.541 1.910 ( -1.884 0.510 1.626) 2.541 2.177 ( -0.614 -4.425 0.421) 4.487 2.177 ( -0.614 4.425 0.421) 4.487 2.382 ( -2.151 -11.375 -0.216) 11.579 2.382 ( -2.151 11.375 -0.216) 11.579 2.482 ( 1.757 -6.839 -2.278) 7.420 2.482 ( 1.757 6.839 -2.278) 7.420 2.638 ( -0.640 -4.709 2.611) 5.423 2.638 ( -0.640 4.709 2.611) 5.423 2.742 ( -1.502 -3.759 0.440) 4.072 2.742 ( -1.502 3.759 0.440) 4.072 3.058 ( -0.472 -0.984 -2.247) 2.498 3.058 ( -0.472 0.984 -2.247) 2.498 3.181 ( 0.927 -2.183 0.382) 2.402 3.181 ( 0.927 2.183 0.382) 2.402 3.365 ( -1.035 -4.873 0.248) 4.988 3.365 ( -1.035 4.873 0.248) 4.988 3.443 ( -0.922 -2.525 -0.738) 2.788 3.443 ( -0.922 2.525 -0.738) 2.788 3.786 ( 2.305 -4.177 -0.698) 4.821 3.786 ( 2.305 4.177 -0.698) 4.821 3.852 ( 2.672 -1.838 -2.289) 3.969 3.852 ( 2.672 1.838 -2.289) 3.969 4.003 ( 6.187 -3.949 2.241) 7.675 4.003 ( 6.187 3.949 2.241) 7.675 4.150 ( -4.783 -3.451 -1.853) 6.183 4.150 ( -4.783 3.451 -1.853) 6.183 4.749 ( -1.601 -2.561 0.750) 3.112 4.749 ( -1.601 2.561 0.750) 3.112 4.944 ( 1.037 -4.342 0.259) 4.471 4.944 ( 1.037 4.342 0.259) 4.471 5.133 ( -1.504 -11.473 1.759) 11.704 5.133 ( -1.504 11.473 1.759) 11.704 5.569 ( 1.333 -5.462 -0.434) 5.639 5.569 ( 1.333 5.462 -0.434) 5.639 6.429 ( -0.116 -2.249 -0.184) 2.259 6.429 ( -0.116 2.249 -0.184) 2.259 6.603 ( 0.334 -1.386 0.165) 1.435 6.603 ( 0.334 1.386 0.165) 1.435 6.704 ( -0.771 -0.961 -0.439) 1.308 6.704 ( -0.771 0.961 -0.439) 1.308 6.990 ( -0.276 -6.416 -0.282) 6.428 6.990 ( -0.276 6.416 -0.282) 6.428 7.525 ( 1.215 -2.422 0.379) 2.736 7.525 ( 1.215 2.422 0.379) 2.736 8.053 ( 0.519 -1.408 -0.233) 1.519 8.053 ( 0.519 1.408 -0.233) 1.519 8.090 ( -0.052 -7.486 0.403) 7.497 8.090 ( -0.052 7.486 0.403) 7.497 8.374 ( 0.409 -5.105 0.111) 5.122 8.374 ( 0.409 5.105 0.111) 5.123 9.234 ( -0.202 -2.886 -0.119) 2.896 9.234 ( -0.202 2.886 -0.119) 2.896 9.425 ( -0.478 -6.917 -0.080) 6.934 9.425 ( -0.478 6.917 -0.080) 6.934 10.226 ( 0.504 -2.046 -0.026) 2.107 10.226 ( 0.504 2.046 -0.026) 2.107 11.697 ( -0.346 -9.458 0.092) 9.465 11.697 ( -0.346 9.458 0.092) 9.465 12.349 ( 0.001 -0.466 -0.113) 0.480 12.349 ( 0.001 0.466 -0.113) 0.480 13.454 ( -0.014 -7.002 -0.064) 7.002 13.454 ( -0.014 7.002 -0.064) 7.002 13.882 ( 0.974 -8.010 1.157) 8.152 13.882 ( 0.974 8.010 1.157) 8.152 13.968 ( -0.798 -5.138 -1.126) 5.320 13.968 ( -0.798 5.138 -1.126) 5.320 14.591 ( 0.445 -6.286 0.205) 6.305 14.591 ( 0.445 6.286 0.205) 6.305 15.246 ( -0.114 -4.294 -0.014) 4.296 15.246 ( -0.114 4.294 -0.014) 4.296 16.005 ( 0.039 -0.738 0.045) 0.740 16.005 ( 0.039 0.738 0.045) 0.740 16.747 ( -0.186 -7.327 -0.028) 7.329 16.747 ( -0.186 7.327 -0.028) 7.329 24.553 ( -0.010 -1.673 0.101) 1.676 24.553 ( -0.010 1.673 0.101) 1.676 24.754 ( -0.240 -0.175 -0.072) 0.305 24.754 ( -0.240 0.175 -0.072) 0.305 26.065 ( -0.335 -0.865 -0.207) 0.950 26.065 ( -0.335 0.865 -0.207) 0.950 26.285 ( 0.338 -0.721 0.261) 0.838 26.285 ( 0.338 0.721 0.261) 0.838 26.699 ( 0.233 -3.824 -0.049) 3.832 26.699 ( 0.233 3.824 -0.049) 3.832 27.935 ( 0.376 -1.258 -0.061) 1.314 27.935 ( 0.376 1.258 -0.061) 1.314 28.862 ( 0.132 -6.704 -0.084) 6.706 28.862 ( 0.132 6.704 -0.084) 6.706 29.369 ( -0.165 -7.799 0.116) 7.802 29.369 ( -0.165 7.799 0.116) 7.802 ======================= Grid point 45 (16/80) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -0.621 0.000 23.418) 23.427 0.509 ( 0.204 0.000 25.442) 25.443 0.968 ( 5.926 0.000 46.719) 47.094 1.613 ( 2.051 0.000 -2.832) 3.496 1.663 ( 5.843 0.000 3.164) 6.644 1.821 ( -0.942 0.000 -3.352) 3.481 1.852 ( 2.279 0.000 0.216) 2.289 1.919 ( -1.336 0.000 3.362) 3.618 2.054 ( 0.093 0.000 -2.667) 2.668 2.112 ( -0.340 0.000 1.631) 1.666 2.214 ( -17.585 0.000 10.698) 20.584 2.260 ( 8.923 0.000 -4.684) 10.078 2.441 ( -3.976 0.000 3.926) 5.587 2.634 ( 0.377 0.000 0.704) 0.798 2.804 ( -0.041 0.000 -1.969) 1.969 2.902 ( 6.272 0.000 -2.799) 6.868 3.049 ( -3.859 0.000 -9.094) 9.879 3.086 ( 2.712 0.000 5.303) 5.956 3.137 ( 2.132 0.000 -2.164) 3.038 3.169 ( -0.884 0.000 -8.529) 8.574 3.195 ( -0.742 0.000 -1.476) 1.652 3.339 ( -0.608 0.000 -4.244) 4.287 3.417 ( 0.905 0.000 0.609) 1.091 3.473 ( -10.536 0.000 -2.514) 10.832 3.498 ( -5.759 0.000 2.981) 6.485 3.559 ( 3.468 0.000 3.042) 4.613 3.656 ( 2.095 0.000 3.146) 3.779 3.725 ( -0.585 0.000 1.797) 1.889 3.788 ( 1.518 0.000 0.844) 1.737 3.827 ( -13.041 0.000 -3.454) 13.491 3.937 ( 10.826 0.000 2.665) 11.149 4.000 ( -0.003 0.000 3.620) 3.620 4.107 ( 3.521 0.000 -0.862) 3.625 4.310 ( 1.188 0.000 -3.371) 3.574 4.801 ( 0.711 0.000 -5.239) 5.287 4.873 ( -16.424 0.000 -0.087) 16.425 5.148 ( 1.540 0.000 -16.147) 16.220 5.302 ( 0.405 0.000 -7.028) 7.040 5.357 ( -0.087 0.000 8.474) 8.474 5.552 ( -0.652 0.000 6.672) 6.704 6.014 ( -1.621 0.000 0.992) 1.900 6.409 ( -0.314 0.000 -3.728) 3.741 6.505 ( -0.095 0.000 -2.643) 2.645 6.738 ( 17.503 0.000 -4.045) 17.964 6.968 ( 0.917 0.000 10.891) 10.929 7.060 ( 0.032 0.000 5.209) 5.209 7.162 ( -0.808 0.000 0.894) 1.205 7.172 ( -0.865 0.000 -0.995) 1.319 7.292 ( 0.712 0.000 -0.599) 0.930 7.608 ( -3.595 0.000 -4.893) 6.072 7.671 ( -0.615 0.000 6.437) 6.467 7.746 ( 2.711 0.000 2.002) 3.370 8.065 ( -0.181 0.000 -8.572) 8.574 8.160 ( 0.827 0.000 -8.645) 8.684 8.363 ( -0.816 0.000 6.613) 6.663 9.033 ( -0.754 0.000 -5.079) 5.134 9.303 ( 3.237 0.000 -2.956) 4.384 9.328 ( 0.249 0.000 2.668) 2.679 9.414 ( 0.616 0.000 -2.390) 2.469 9.960 ( -2.779 0.000 -4.365) 5.175 10.392 ( -0.572 0.000 8.397) 8.417 10.715 ( -0.404 0.000 10.802) 10.810 11.002 ( 0.900 0.000 -4.182) 4.278 12.133 ( 0.437 0.000 -7.360) 7.373 12.582 ( -0.678 0.000 -0.897) 1.124 12.878 ( 0.344 0.000 -0.127) 0.367 12.954 ( -0.336 0.000 7.224) 7.232 13.034 ( 0.332 0.000 -0.149) 0.364 13.509 ( 2.859 0.000 -1.450) 3.205 14.021 ( 0.804 0.000 1.486) 1.689 14.215 ( -16.880 0.000 -1.822) 16.978 14.310 ( -2.434 0.000 -5.494) 6.009 14.423 ( 3.635 0.000 -0.071) 3.636 14.471 ( 1.259 0.000 -7.057) 7.168 15.250 ( -0.757 0.000 7.959) 7.995 15.558 ( 0.927 0.000 2.754) 2.906 16.103 ( -2.003 0.000 5.909) 6.239 16.378 ( 0.882 0.000 1.036) 1.360 16.672 ( 13.856 0.000 0.425) 13.863 17.011 ( -0.074 0.000 -3.600) 3.600 24.557 ( 0.133 0.000 0.030) 0.136 24.600 ( 0.301 0.000 -0.966) 1.012 24.677 ( -0.298 0.000 0.896) 0.944 24.720 ( 0.079 0.000 -0.030) 0.085 26.118 ( 13.135 0.000 1.031) 13.176 26.180 ( 0.642 0.000 1.710) 1.827 26.246 ( -1.073 0.000 -0.053) 1.074 26.389 ( -1.859 0.000 1.404) 2.329 26.773 ( -0.111 0.000 -0.593) 0.603 26.824 ( -0.168 0.000 2.991) 2.995 27.266 ( 0.422 0.000 -5.115) 5.132 27.298 ( -22.515 0.000 -3.587) 22.799 28.624 ( -2.451 0.000 5.137) 5.692 29.163 ( 0.186 0.000 -3.882) 3.886 29.630 ( 11.690 0.000 3.533) 12.212 29.819 ( 0.218 0.000 0.813) 0.842 ======================= Grid point 46 (17/80) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 12.470 0.000 15.355) 19.781 0.702 ( 12.657 0.000 18.708) 22.588 1.399 ( 24.871 0.000 34.562) 42.580 1.692 ( -10.647 0.000 -1.233) 10.718 1.710 ( 3.673 0.000 -6.605) 7.558 1.838 ( 8.663 0.000 5.450) 10.235 1.859 ( -6.245 0.000 5.310) 8.197 1.909 ( -8.559 0.000 5.898) 10.394 1.952 ( 3.587 0.000 1.810) 4.018 1.993 ( -4.061 0.000 -1.829) 4.454 2.214 ( 5.927 0.000 4.618) 7.514 2.275 ( -8.367 0.000 2.658) 8.779 2.383 ( -1.820 0.000 -5.993) 6.263 2.652 ( 1.647 0.000 0.402) 1.695 2.681 ( -5.824 0.000 -10.377) 11.899 2.986 ( -0.294 0.000 -0.924) 0.969 3.006 ( 1.635 0.000 -6.202) 6.414 3.124 ( -0.065 0.000 0.025) 0.069 3.152 ( -0.248 0.000 -4.936) 4.943 3.204 ( 2.596 0.000 -4.341) 5.058 3.255 ( -3.808 0.000 3.326) 5.057 3.316 ( -0.204 0.000 -1.232) 1.249 3.368 ( 4.254 0.000 -5.565) 7.004 3.403 ( -2.492 0.000 0.181) 2.499 3.414 ( -4.894 0.000 3.796) 6.193 3.522 ( -9.053 0.000 -2.726) 9.455 3.650 ( 3.154 0.000 2.806) 4.222 3.690 ( 1.188 0.000 0.107) 1.192 3.708 ( -0.693 0.000 1.470) 1.625 3.833 ( 1.994 0.000 0.295) 2.016 4.014 ( 0.653 0.000 4.928) 4.971 4.038 ( 0.105 0.000 -0.789) 0.796 4.332 ( 1.359 0.000 -3.300) 3.569 4.342 ( 14.613 0.000 -6.018) 15.803 4.760 ( -1.888 0.000 -3.841) 4.280 4.869 ( 6.981 0.000 -0.611) 7.007 5.133 ( -0.213 0.000 -15.988) 15.990 5.303 ( 0.841 0.000 -5.873) 5.933 5.370 ( 0.054 0.000 8.704) 8.704 5.541 ( -1.295 0.000 5.093) 5.255 5.980 ( -1.423 0.000 2.866) 3.200 6.400 ( 0.153 0.000 -3.564) 3.567 6.506 ( 0.602 0.000 -2.198) 2.279 6.952 ( 0.741 0.000 11.307) 11.331 7.064 ( -0.516 0.000 4.532) 4.561 7.092 ( 2.118 0.000 -5.939) 6.305 7.150 ( -0.303 0.000 -0.277) 0.410 7.295 ( -0.406 0.000 0.278) 0.492 7.335 ( 13.162 0.000 -7.592) 15.194 7.589 ( 3.605 0.000 -9.897) 10.534 7.674 ( -0.346 0.000 7.141) 7.149 7.852 ( 7.773 0.000 -3.720) 8.617 8.042 ( -0.475 0.000 -8.420) 8.433 8.171 ( 1.651 0.000 -8.550) 8.708 8.373 ( 0.829 0.000 7.102) 7.150 9.008 ( -0.563 0.000 -5.404) 5.433 9.113 ( -19.114 0.000 9.620) 21.398 9.335 ( 0.028 0.000 2.736) 2.736 9.405 ( -1.063 0.000 -2.423) 2.646 9.720 ( -7.152 0.000 0.325) 7.160 10.390 ( -1.064 0.000 8.619) 8.684 10.721 ( -0.919 0.000 10.470) 10.511 11.006 ( 0.430 0.000 -4.245) 4.267 12.132 ( 0.621 0.000 -7.568) 7.593 12.578 ( 0.156 0.000 -0.752) 0.768 12.889 ( 0.577 0.000 0.349) 0.674 12.956 ( -0.686 0.000 6.864) 6.898 13.055 ( 1.524 0.000 -0.366) 1.567 13.624 ( 2.649 0.000 -5.698) 6.284 14.062 ( 2.730 0.000 2.660) 3.812 14.199 ( 7.159 0.000 -10.495) 12.704 14.241 ( -3.059 0.000 -4.975) 5.840 14.473 ( 0.392 0.000 -8.856) 8.864 14.587 ( 11.044 0.000 -0.589) 11.059 15.245 ( -1.053 0.000 7.824) 7.895 15.574 ( 0.249 0.000 3.263) 3.273 16.067 ( -2.481 0.000 4.279) 4.947 16.389 ( -0.137 0.000 1.371) 1.378 16.564 ( -13.805 0.000 9.753) 16.903 17.001 ( -0.058 0.000 -4.021) 4.021 24.549 ( -0.659 0.000 0.082) 0.664 24.602 ( 0.098 0.000 -1.058) 1.063 24.672 ( -0.233 0.000 0.951) 0.980 24.725 ( 0.413 0.000 -0.081) 0.421 26.190 ( -0.320 0.000 2.478) 2.499 26.242 ( 1.020 0.000 -0.793) 1.292 26.340 ( -1.844 0.000 -0.389) 1.884 26.421 ( 5.855 0.000 -4.657) 7.481 26.752 ( -0.279 0.000 -0.716) 0.768 26.826 ( -0.117 0.000 3.204) 3.206 27.266 ( 0.396 0.000 -5.118) 5.133 27.333 ( 17.692 0.000 -8.713) 19.722 28.613 ( -0.012 0.000 4.976) 4.976 29.168 ( 0.889 0.000 -3.666) 3.773 29.533 ( -12.950 0.000 8.311) 15.387 29.813 ( -0.863 0.000 0.547) 1.022 ======================= Grid point 47 (18/80) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 15.627 0.000 8.532) 17.805 1.002 ( 10.829 0.000 12.492) 16.533 1.432 ( -11.501 0.000 0.367) 11.507 1.541 ( -18.716 0.000 9.342) 20.919 1.692 ( -2.166 0.000 -2.919) 3.635 1.862 ( 2.405 0.000 1.202) 2.689 1.881 ( -4.125 0.000 -4.743) 6.286 1.954 ( -1.082 0.000 7.903) 7.977 1.960 ( -2.419 0.000 -1.312) 2.752 2.060 ( 16.589 0.000 3.976) 17.058 2.109 ( -6.694 0.000 4.453) 8.040 2.257 ( 0.509 0.000 4.691) 4.718 2.338 ( 3.112 0.000 -2.900) 4.254 2.584 ( -3.027 0.000 4.827) 5.698 2.688 ( 0.459 0.000 -0.615) 0.768 2.959 ( -0.286 0.000 0.501) 0.577 3.025 ( 1.103 0.000 -1.806) 2.116 3.076 ( -1.738 0.000 -3.681) 4.070 3.143 ( -0.147 0.000 -1.090) 1.100 3.165 ( -2.121 0.000 2.936) 3.622 3.256 ( -2.448 0.000 5.511) 6.030 3.317 ( 6.690 0.000 -1.796) 6.927 3.356 ( 0.290 0.000 -3.484) 3.496 3.399 ( -3.588 0.000 0.420) 3.613 3.467 ( 3.621 0.000 -8.225) 8.987 3.468 ( 4.219 0.000 1.456) 4.463 3.645 ( -2.915 0.000 2.537) 3.865 3.702 ( 0.224 0.000 -1.247) 1.267 3.743 ( 2.849 0.000 -0.097) 2.851 3.857 ( 0.256 0.000 -0.110) 0.279 4.025 ( -0.552 0.000 -0.701) 0.892 4.034 ( -0.095 0.000 6.781) 6.781 4.348 ( 0.588 0.000 -3.754) 3.799 4.522 ( 2.829 0.000 -9.371) 9.789 4.705 ( -1.087 0.000 -4.562) 4.690 5.016 ( 6.285 0.000 0.671) 6.321 5.096 ( -0.163 0.000 -15.791) 15.791 5.312 ( 0.783 0.000 -4.504) 4.571 5.384 ( -0.346 0.000 8.210) 8.217 5.526 ( -0.758 0.000 4.070) 4.140 5.963 ( -0.708 0.000 2.715) 2.806 6.405 ( 0.844 0.000 -3.784) 3.877 6.518 ( 0.650 0.000 -0.479) 0.807 6.971 ( -0.704 0.000 11.900) 11.920 7.056 ( -0.874 0.000 3.697) 3.799 7.085 ( -0.930 0.000 -5.554) 5.631 7.153 ( 0.752 0.000 -0.400) 0.852 7.279 ( -1.139 0.000 0.711) 1.343 7.460 ( 2.307 0.000 6.641) 7.030 7.655 ( 2.665 0.000 -13.113) 13.381 7.679 ( -0.418 0.000 7.213) 7.225 7.990 ( 3.116 0.000 -12.323) 12.711 8.036 ( 3.444 0.000 -9.443) 10.051 8.189 ( 1.221 0.000 -8.008) 8.100 8.441 ( 5.033 0.000 10.781) 11.898 8.749 ( -16.506 0.000 11.257) 19.979 9.001 ( 0.827 0.000 -4.214) 4.294 9.340 ( 0.061 0.000 3.057) 3.058 9.370 ( -1.444 0.000 -4.383) 4.614 9.662 ( -0.200 0.000 -4.774) 4.779 10.382 ( -1.001 0.000 8.152) 8.213 10.714 ( -1.356 0.000 9.995) 10.086 11.006 ( 0.276 0.000 -4.789) 4.797 12.132 ( 0.655 0.000 -7.818) 7.846 12.581 ( 0.266 0.000 -0.000) 0.266 12.897 ( 0.057 0.000 0.388) 0.392 12.952 ( -0.772 0.000 6.868) 6.912 13.079 ( 0.580 0.000 -0.888) 1.061 13.631 ( -0.178 0.000 -2.373) 2.379 14.102 ( -0.964 0.000 0.255) 0.997 14.213 ( 2.524 0.000 0.779) 2.641 14.290 ( 3.619 0.000 -11.345) 11.908 14.460 ( 0.043 0.000 -10.549) 10.549 14.808 ( 9.980 0.000 -2.823) 10.372 15.238 ( -0.827 0.000 7.695) 7.740 15.580 ( -0.287 0.000 2.645) 2.661 16.013 ( -3.309 0.000 3.121) 4.548 16.344 ( -9.129 0.000 12.088) 15.148 16.377 ( -1.018 0.000 0.428) 1.104 16.998 ( 0.482 0.000 -3.944) 3.973 24.538 ( -0.286 0.000 0.090) 0.300 24.600 ( -0.119 0.000 -1.313) 1.318 24.672 ( 0.047 0.000 1.164) 1.165 24.732 ( 0.190 0.000 -0.228) 0.297 26.181 ( -0.682 0.000 1.822) 1.946 26.270 ( 1.293 0.000 0.390) 1.350 26.295 ( -2.264 0.000 -1.323) 2.622 26.452 ( -0.518 0.000 2.307) 2.364 26.757 ( 0.551 0.000 -2.137) 2.207 26.828 ( -0.271 0.000 3.369) 3.380 27.265 ( 0.419 0.000 -5.107) 5.124 27.668 ( 15.241 0.000 -13.613) 20.436 28.635 ( 1.214 0.000 7.539) 7.636 29.181 ( 0.805 0.000 -3.161) 3.262 29.293 ( -11.398 0.000 7.737) 13.776 29.793 ( -0.803 0.000 -0.284) 0.852 ======================= Grid point 48 (19/80) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -15.520 0.000 10.196) 18.569 1.123 ( -19.411 0.000 -2.877) 19.623 1.241 ( 3.658 0.000 22.036) 22.338 1.467 ( 10.832 0.000 1.218) 10.900 1.540 ( -10.040 0.000 0.740) 10.067 1.783 ( -4.051 0.000 -9.398) 10.234 1.798 ( -4.754 0.000 -2.515) 5.379 1.876 ( -0.424 0.000 -3.120) 3.149 1.894 ( 0.549 0.000 1.013) 1.152 2.041 ( -0.619 0.000 3.509) 3.563 2.178 ( -1.353 0.000 2.184) 2.569 2.329 ( -1.803 0.000 5.369) 5.663 2.456 ( 5.082 0.000 -0.760) 5.139 2.668 ( -1.498 0.000 -0.758) 1.679 2.766 ( 14.995 0.000 11.171) 18.699 3.023 ( 5.096 0.000 -1.184) 5.232 3.066 ( 2.924 0.000 1.856) 3.464 3.080 ( 2.278 0.000 0.242) 2.291 3.122 ( -1.890 0.000 3.020) 3.562 3.137 ( -0.392 0.000 -0.689) 0.793 3.197 ( -3.333 0.000 3.562) 4.878 3.336 ( 0.194 0.000 -1.706) 1.717 3.400 ( 2.387 0.000 0.349) 2.413 3.440 ( -0.832 0.000 -7.033) 7.082 3.501 ( 5.146 0.000 -5.387) 7.450 3.565 ( 5.057 0.000 3.874) 6.370 3.571 ( -4.534 0.000 2.887) 5.375 3.711 ( 1.091 0.000 -0.879) 1.401 3.787 ( 0.911 0.000 -0.435) 1.010 3.838 ( -2.207 0.000 -0.006) 2.207 4.025 ( -1.822 0.000 6.878) 7.115 4.026 ( 0.925 0.000 -1.083) 1.424 4.334 ( -1.217 0.000 -4.017) 4.197 4.411 ( -10.028 0.000 -10.962) 14.857 4.733 ( 2.976 0.000 -4.623) 5.498 5.092 ( 2.482 0.000 -15.950) 16.141 5.120 ( 3.788 0.000 1.713) 4.157 5.315 ( 0.224 0.000 -4.707) 4.712 5.376 ( -1.769 0.000 7.315) 7.526 5.528 ( 0.155 0.000 5.063) 5.066 5.963 ( 0.238 0.000 2.590) 2.601 6.416 ( 0.840 0.000 -4.201) 4.284 6.524 ( -0.088 0.000 0.259) 0.274 6.964 ( -1.877 0.000 9.095) 9.287 7.044 ( -2.214 0.000 -5.007) 5.474 7.046 ( -0.568 0.000 3.908) 3.949 7.174 ( 0.849 0.000 0.640) 1.063 7.261 ( -0.377 0.000 0.111) 0.393 7.481 ( -2.873 0.000 5.711) 6.393 7.647 ( -0.346 0.000 -9.216) 9.223 7.680 ( -0.664 0.000 6.590) 6.624 7.955 ( -3.120 0.000 -16.658) 16.947 8.083 ( 1.394 0.000 -11.486) 11.570 8.187 ( -0.047 0.000 -7.865) 7.865 8.497 ( -9.497 0.000 8.071) 12.464 8.640 ( 12.207 0.000 17.973) 21.726 9.024 ( 1.745 0.000 -2.655) 3.177 9.331 ( -1.152 0.000 0.380) 1.213 9.362 ( 1.364 0.000 -3.188) 3.467 9.670 ( 1.883 0.000 -4.484) 4.863 10.380 ( -0.531 0.000 7.619) 7.638 10.705 ( -1.150 0.000 10.050) 10.115 11.001 ( 0.117 0.000 -5.093) 5.094 12.133 ( 0.772 0.000 -7.801) 7.839 12.588 ( 0.261 0.000 0.301) 0.398 12.891 ( -0.571 0.000 0.022) 0.572 12.950 ( -0.584 0.000 6.906) 6.931 13.072 ( -1.011 0.000 -1.045) 1.454 13.620 ( -0.611 0.000 -2.076) 2.164 14.056 ( -2.293 0.000 -0.636) 2.379 14.303 ( 4.093 0.000 4.111) 5.801 14.324 ( 1.709 0.000 -8.607) 8.775 14.441 ( 0.236 0.000 -11.881) 11.883 14.963 ( 4.937 0.000 -8.653) 9.962 15.240 ( -0.354 0.000 7.750) 7.758 15.562 ( -1.884 0.000 -0.672) 2.000 15.965 ( -0.916 0.000 9.160) 9.205 16.224 ( -4.839 0.000 11.130) 12.136 16.359 ( -0.534 0.000 -0.473) 0.713 17.006 ( 0.761 0.000 -3.509) 3.590 24.539 ( 0.303 0.000 0.130) 0.330 24.595 ( -0.018 0.000 -1.350) 1.351 24.677 ( 0.120 0.000 1.210) 1.216 24.731 ( -0.284 0.000 -0.311) 0.421 26.172 ( -0.459 0.000 1.480) 1.550 26.238 ( -3.135 0.000 -3.153) 4.446 26.285 ( -0.087 0.000 1.039) 1.042 26.438 ( -1.141 0.000 3.313) 3.504 26.762 ( 0.285 0.000 -1.803) 1.825 26.827 ( -0.427 0.000 3.251) 3.279 27.265 ( 0.460 0.000 -5.097) 5.118 27.895 ( 8.849 0.000 -18.132) 20.176 28.698 ( 3.276 0.000 13.112) 13.515 29.093 ( -8.774 0.000 7.063) 11.263 29.184 ( -0.029 0.000 -3.074) 3.074 29.788 ( 0.389 0.000 -0.520) 0.650 ======================= Grid point 49 (20/80) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -14.318 0.000 17.782) 22.830 0.675 ( -21.953 0.000 9.814) 24.047 1.039 ( -16.827 0.000 34.572) 38.450 1.595 ( 5.031 0.000 -1.147) 5.160 1.596 ( 1.838 0.000 -3.453) 3.912 1.779 ( 4.238 0.000 -2.977) 5.180 1.782 ( 3.255 0.000 -1.512) 3.589 1.915 ( 1.072 0.000 2.022) 2.289 1.962 ( 7.648 0.000 -2.724) 8.118 2.096 ( 5.809 0.000 -0.990) 5.892 2.130 ( -1.880 0.000 3.063) 3.594 2.315 ( -0.190 0.000 6.770) 6.773 2.489 ( -1.164 0.000 -0.140) 1.173 2.643 ( -0.907 0.000 -0.354) 0.974 2.880 ( -2.902 0.000 -7.083) 7.655 2.982 ( -6.532 0.000 4.107) 7.715 3.063 ( 0.224 0.000 2.350) 2.361 3.111 ( -1.069 0.000 -2.294) 2.531 3.146 ( 2.594 0.000 1.364) 2.931 3.152 ( -1.491 0.000 -2.576) 2.976 3.308 ( -4.953 0.000 -9.178) 10.429 3.352 ( 7.495 0.000 3.771) 8.390 3.362 ( -1.501 0.000 -3.897) 4.176 3.478 ( 9.318 0.000 3.059) 9.808 3.500 ( -1.530 0.000 4.286) 4.551 3.591 ( 1.801 0.000 -3.359) 3.812 3.666 ( 1.205 0.000 -1.429) 1.869 3.745 ( -4.035 0.000 4.432) 5.993 3.751 ( 4.397 0.000 2.623) 5.120 3.796 ( -1.476 0.000 -0.687) 1.628 4.002 ( -1.020 0.000 4.891) 4.997 4.060 ( 2.405 0.000 -1.308) 2.738 4.118 ( -15.931 0.000 -8.448) 18.033 4.305 ( -0.357 0.000 -4.027) 4.043 4.779 ( 2.318 0.000 -6.650) 7.043 5.127 ( 3.140 0.000 -16.386) 16.684 5.166 ( -1.854 0.000 -2.114) 2.812 5.308 ( 0.133 0.000 -6.119) 6.121 5.346 ( -1.515 0.000 6.674) 6.844 5.544 ( 0.214 0.000 6.740) 6.743 5.985 ( 1.797 0.000 2.357) 2.964 6.419 ( 0.123 0.000 -4.197) 4.199 6.516 ( -0.551 0.000 -1.076) 1.209 6.880 ( -10.829 0.000 -13.131) 17.021 6.976 ( -3.261 0.000 9.418) 9.966 7.049 ( 0.046 0.000 4.900) 4.900 7.176 ( -0.686 0.000 1.589) 1.731 7.271 ( 1.235 0.000 -0.919) 1.539 7.306 ( -11.828 0.000 -5.173) 12.910 7.653 ( 0.979 0.000 0.500) 1.099 7.676 ( -0.793 0.000 6.157) 6.208 7.800 ( -7.304 0.000 -15.922) 17.518 8.078 ( 0.288 0.000 -9.000) 9.004 8.168 ( -0.157 0.000 -8.275) 8.277 8.387 ( -3.186 0.000 7.606) 8.246 9.007 ( 19.620 0.000 18.351) 26.864 9.045 ( 0.490 0.000 -3.289) 3.325 9.320 ( -0.019 0.000 1.080) 1.080 9.391 ( 1.804 0.000 -2.778) 3.313 9.755 ( 8.564 0.000 1.103) 8.635 10.386 ( -0.259 0.000 7.742) 7.746 10.705 ( -0.555 0.000 10.545) 10.559 10.996 ( 0.309 0.000 -4.941) 4.950 12.135 ( 0.723 0.000 -7.695) 7.729 12.591 ( 0.000 0.000 0.080) 0.080 12.879 ( -0.436 0.000 -0.291) 0.524 12.952 ( -0.515 0.000 7.004) 7.023 13.045 ( -1.170 0.000 -0.577) 1.304 13.583 ( -3.231 0.000 -3.556) 4.805 14.022 ( -0.945 0.000 0.513) 1.075 14.344 ( 1.752 0.000 -5.535) 5.806 14.349 ( -0.288 0.000 -1.360) 1.390 14.446 ( 2.089 0.000 -8.531) 8.783 14.829 ( -19.785 0.000 -28.099) 34.366 15.247 ( -0.319 0.000 7.930) 7.937 15.533 ( 0.323 0.000 1.542) 1.576 16.090 ( 7.646 0.000 13.965) 15.921 16.207 ( 7.197 0.000 19.629) 20.907 16.359 ( 0.617 0.000 -0.097) 0.624 17.013 ( 0.443 0.000 -3.306) 3.336 24.548 ( 0.492 0.000 0.170) 0.521 24.595 ( 0.232 0.000 -1.152) 1.175 24.679 ( -0.082 0.000 1.059) 1.062 24.722 ( -0.336 0.000 -0.207) 0.395 26.141 ( -6.013 0.000 -3.921) 7.178 26.170 ( 0.041 0.000 1.333) 1.334 26.271 ( -1.243 0.000 0.856) 1.509 26.418 ( -1.347 0.000 2.778) 3.088 26.765 ( 0.413 0.000 -1.048) 1.127 26.824 ( -0.355 0.000 3.013) 3.034 27.266 ( 0.462 0.000 -5.102) 5.123 27.858 ( -12.782 0.000 -34.159) 36.472 28.714 ( -5.848 0.000 5.057) 7.731 29.148 ( 17.210 0.000 27.759) 32.661 29.172 ( -0.387 0.000 -3.545) 3.566 29.804 ( 0.997 0.000 0.182) 1.013 ======================= Grid point 50 (21/80) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 1.546 15.009 14.217) 20.731 0.769 ( 1.481 19.645 18.413) 26.966 1.328 ( 1.898 28.787 26.337) 39.063 1.636 ( -2.241 4.118 -4.446) 6.462 1.749 ( 5.542 1.962 -1.110) 5.983 1.846 ( 6.834 8.935 2.386) 11.500 1.876 ( 0.420 0.003 3.554) 3.579 1.962 ( -1.771 5.284 0.583) 5.603 2.041 ( 1.548 -2.496 -0.844) 3.056 2.104 ( -1.997 1.895 1.111) 2.969 2.236 ( -8.756 3.524 11.675) 15.013 2.304 ( 7.741 3.900 -4.526) 9.778 2.486 ( -5.189 3.776 4.577) 7.882 2.631 ( 0.798 0.376 1.602) 1.828 2.808 ( 3.411 0.038 -1.748) 3.833 2.911 ( -2.184 1.634 1.652) 3.189 3.037 ( -2.383 -0.300 -4.189) 4.829 3.078 ( 0.290 -1.872 1.635) 2.503 3.102 ( 0.043 -0.851 -3.824) 3.918 3.172 ( -2.265 -0.195 -2.795) 3.603 3.234 ( 1.718 3.332 -5.156) 6.375 3.321 ( 0.639 -0.128 -4.701) 4.746 3.418 ( -1.190 -1.523 -1.027) 2.189 3.482 ( -5.477 3.621 -3.923) 7.648 3.580 ( 1.383 3.498 1.771) 4.157 3.602 ( -6.010 1.651 0.691) 6.271 3.675 ( 1.556 -0.115 1.175) 1.953 3.750 ( -7.488 -0.768 -2.072) 7.807 3.754 ( 0.623 -1.310 1.521) 2.102 3.937 ( 12.472 3.140 4.035) 13.479 3.981 ( -5.259 6.963 -3.249) 9.311 4.079 ( 2.737 4.892 1.685) 5.854 4.156 ( -0.661 8.256 -3.735) 9.086 4.355 ( 1.657 4.602 -3.931) 6.275 4.757 ( -6.929 -6.557 -0.877) 9.579 4.820 ( 0.007 2.040 -0.952) 2.251 5.226 ( 1.099 5.829 -12.644) 13.966 5.265 ( -1.007 -2.469 -0.126) 2.670 5.368 ( 1.773 1.059 -1.141) 2.359 5.593 ( -1.268 0.832 7.564) 7.714 6.080 ( -0.279 7.361 1.601) 7.539 6.413 ( -0.549 -1.232 -7.431) 7.553 6.526 ( -3.101 0.176 -2.772) 4.163 6.692 ( 13.191 -3.685 -2.521) 13.926 6.860 ( -1.885 -4.492 10.219) 11.321 6.988 ( -2.888 -5.214 1.226) 6.085 7.157 ( -0.156 -4.409 -0.270) 4.420 7.336 ( 1.217 7.427 -4.860) 8.959 7.357 ( 2.822 7.278 3.965) 8.755 7.629 ( 0.427 -0.598 -1.010) 1.249 7.661 ( -4.676 1.295 0.751) 4.910 7.833 ( 2.813 3.089 -3.303) 5.326 8.107 ( 0.846 5.983 -10.158) 11.819 8.161 ( 0.850 -0.021 -8.070) 8.115 8.334 ( -1.399 -2.360 6.881) 7.408 8.919 ( 0.954 -18.021 7.864) 19.685 9.114 ( -0.198 -2.515 3.743) 4.514 9.324 ( 0.304 -1.537 0.290) 1.594 9.422 ( 0.475 0.503 -0.513) 0.862 9.737 ( -0.613 -6.808 0.867) 6.890 10.357 ( -1.028 -3.547 7.767) 8.600 10.688 ( 0.003 -8.652 7.063) 11.169 11.084 ( -0.088 9.335 -4.285) 10.272 12.064 ( 0.650 -6.265 -6.961) 9.387 12.541 ( -0.072 -3.422 -0.813) 3.518 12.876 ( -0.777 -6.517 5.331) 8.456 13.063 ( 0.553 5.868 -2.045) 6.239 13.198 ( 1.010 15.015 -7.436) 16.786 13.534 ( 1.846 3.065 -3.077) 4.719 14.022 ( 1.063 -1.086 -0.277) 1.545 14.155 ( 2.480 -12.231 -6.477) 14.060 14.186 ( -11.417 -2.346 -0.459) 11.664 14.367 ( -2.916 0.018 1.260) 3.176 14.604 ( 3.451 5.850 -6.946) 9.715 15.247 ( -0.695 -0.465 7.523) 7.569 15.536 ( 0.783 -2.245 2.783) 3.660 16.100 ( -1.752 -0.198 6.357) 6.597 16.276 ( 5.859 -15.342 20.915) 26.592 16.431 ( 1.852 1.227 1.760) 2.834 17.010 ( -0.369 -1.224 -2.697) 2.985 24.538 ( -0.051 -1.191 0.322) 1.234 24.617 ( 0.262 0.569 -1.743) 1.852 24.703 ( -0.245 1.748 0.553) 1.850 24.722 ( 0.090 0.438 -0.129) 0.466 26.075 ( 3.195 -1.828 2.093) 4.234 26.192 ( 0.201 0.969 1.473) 1.775 26.297 ( 2.302 1.107 -0.976) 2.735 26.364 ( -1.913 -2.322 2.005) 3.615 26.716 ( 1.282 -2.706 -0.107) 2.996 26.983 ( 0.135 -2.183 -1.398) 2.596 27.213 ( -0.974 10.896 -12.330) 16.483 27.508 ( -9.755 10.964 -6.609) 16.095 28.640 ( -1.846 1.622 4.922) 5.501 29.138 ( 0.125 -2.513 -3.447) 4.268 29.318 ( 6.451 -12.393 21.448) 25.597 29.825 ( 0.044 -3.291 -0.830) 3.394 ======================= Grid point 51 (22/80) ======================= q-point: ( 0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 8.755 12.412 11.919) 19.307 0.942 ( 11.042 18.452 14.048) 25.686 1.581 ( 15.946 11.776 19.228) 27.616 1.666 ( 4.160 1.632 -0.918) 4.562 1.729 ( -8.464 2.966 -0.232) 8.972 1.866 ( -0.777 2.095 -2.118) 3.079 1.938 ( -13.723 6.510 10.785) 18.628 1.951 ( 2.564 1.600 2.699) 4.052 2.018 ( 0.268 7.763 3.452) 8.500 2.046 ( 2.853 7.856 1.450) 8.483 2.162 ( 4.411 -2.892 5.197) 7.405 2.326 ( -8.321 4.215 3.722) 10.043 2.405 ( -0.964 1.567 -5.583) 5.879 2.638 ( -2.203 2.443 -1.987) 3.843 2.785 ( -0.218 4.743 -1.743) 5.058 2.926 ( -0.610 -1.966 -3.672) 4.210 3.023 ( 2.262 -0.730 -2.646) 3.557 3.087 ( 0.944 -3.658 0.406) 3.800 3.131 ( 1.395 -1.991 -1.210) 2.715 3.187 ( 2.499 -2.943 2.268) 4.478 3.253 ( 1.455 3.419 -9.119) 9.847 3.323 ( -2.774 2.234 -1.717) 3.953 3.353 ( -1.584 1.719 -5.462) 5.941 3.417 ( -1.396 -1.891 2.111) 3.160 3.519 ( -1.617 5.316 0.423) 5.573 3.572 ( -9.000 2.645 -0.191) 9.383 3.614 ( 1.473 2.610 0.217) 3.004 3.685 ( -0.442 -0.228 0.301) 0.581 3.807 ( 2.656 1.925 1.982) 3.832 3.831 ( -3.826 4.758 -0.675) 6.143 4.060 ( -1.143 6.070 0.132) 6.178 4.120 ( 1.202 4.064 2.367) 4.854 4.277 ( 11.916 -3.951 -2.442) 12.789 4.376 ( 1.073 4.718 -3.279) 5.845 4.705 ( -0.066 -4.152 -3.666) 5.539 4.899 ( 5.995 2.969 -0.328) 6.698 5.201 ( -1.296 5.690 -13.263) 14.490 5.252 ( -0.268 -1.675 1.579) 2.317 5.384 ( 0.167 0.130 -1.160) 1.179 5.582 ( -0.804 1.404 6.350) 6.553 6.071 ( -0.670 8.424 1.483) 8.579 6.392 ( -0.075 -1.032 -3.967) 4.100 6.510 ( 0.660 0.053 -2.214) 2.311 6.848 ( -0.764 -5.933 8.922) 10.742 6.905 ( 0.715 -6.988 3.716) 7.947 7.056 ( 9.661 -8.453 -4.086) 13.472 7.149 ( -0.625 -5.488 -0.261) 5.530 7.343 ( 0.003 7.462 -2.431) 7.848 7.467 ( 7.481 7.144 -3.617) 10.958 7.592 ( -2.264 0.099 1.985) 3.013 7.654 ( 1.963 -0.885 -0.949) 2.353 7.904 ( 4.602 1.860 -4.953) 7.012 8.102 ( 0.445 6.767 -10.088) 12.155 8.174 ( 1.649 0.338 -8.107) 8.280 8.332 ( 0.187 -3.458 7.473) 8.236 8.857 ( -8.452 -15.440 10.261) 20.375 9.070 ( -2.918 1.081 -0.837) 3.222 9.324 ( -0.257 -1.591 0.095) 1.614 9.409 ( -1.423 0.433 -0.164) 1.496 9.693 ( -2.087 -1.845 -2.051) 3.459 10.354 ( -0.635 -3.288 7.678) 8.376 10.674 ( -1.936 -6.930 7.923) 10.703 11.070 ( -0.138 7.666 -3.392) 8.384 12.065 ( 0.609 -6.186 -7.132) 9.461 12.543 ( 0.206 -3.247 -0.240) 3.262 12.871 ( -0.478 -6.495 4.864) 8.128 13.056 ( -1.536 9.364 -1.072) 9.550 13.131 ( -1.674 8.766 0.772) 8.958 13.628 ( 3.205 1.467 -6.525) 7.416 14.046 ( 2.182 -1.641 1.965) 3.364 14.092 ( 0.497 -8.937 -7.386) 11.605 14.294 ( -1.230 2.590 -2.662) 3.912 14.329 ( 9.022 -8.248 -7.455) 14.319 14.677 ( 4.639 4.532 -3.443) 7.343 15.241 ( -1.099 -0.521 7.285) 7.386 15.549 ( -0.009 -2.627 3.002) 3.989 16.067 ( -2.337 0.239 5.107) 5.622 16.335 ( -2.417 -11.885 15.532) 19.707 16.436 ( -1.690 0.974 2.400) 3.093 16.993 ( -0.391 -1.180 -3.477) 3.692 24.533 ( -0.446 -1.070 0.248) 1.185 24.611 ( -0.315 0.472 -1.200) 1.327 24.695 ( -0.456 1.739 0.595) 1.893 24.727 ( 0.334 0.248 -0.098) 0.427 26.148 ( 1.853 -4.285 0.975) 4.770 26.205 ( 0.830 -1.264 0.884) 1.752 26.322 ( -1.800 -1.807 0.462) 2.592 26.375 ( 3.333 -1.595 2.209) 4.305 26.693 ( -2.358 -1.813 2.346) 3.789 27.081 ( 7.040 -9.038 -6.934) 13.392 27.155 ( -1.691 18.468 -9.019) 20.622 27.490 ( 7.236 9.200 -5.848) 13.084 28.631 ( -0.060 1.849 4.768) 5.114 29.142 ( 0.731 -2.577 -2.992) 4.016 29.368 ( -4.018 -9.536 14.457) 17.778 29.794 ( -2.106 -3.087 -0.301) 3.749 ======================= Grid point 52 (23/80) ======================= q-point: ( 0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 11.100 5.223 6.913) 14.082 1.202 ( 9.107 15.742 9.845) 20.680 1.490 ( -10.074 3.838 4.380) 11.636 1.621 ( -15.878 8.320 12.362) 21.775 1.701 ( -3.439 2.664 -4.875) 6.534 1.781 ( 3.418 -4.416 0.871) 5.652 1.899 ( -5.159 2.391 -1.214) 5.814 1.989 ( -1.196 1.444 -3.764) 4.206 2.063 ( 1.986 7.194 2.225) 7.787 2.104 ( 3.794 2.398 6.357) 7.782 2.179 ( -3.561 6.522 7.927) 10.865 2.281 ( 5.631 4.014 2.461) 7.340 2.376 ( 1.268 4.173 -4.362) 6.168 2.539 ( -3.185 1.198 0.877) 3.514 2.866 ( 7.317 7.491 -0.500) 10.483 2.912 ( 0.251 -0.987 0.384) 1.088 3.040 ( -0.966 0.235 -2.006) 2.239 3.102 ( 0.208 -3.859 0.733) 3.933 3.125 ( -5.227 4.183 -0.877) 6.751 3.171 ( -2.320 1.632 1.573) 3.243 3.231 ( 0.269 -2.702 4.758) 5.479 3.290 ( 0.129 -1.036 -2.822) 3.008 3.363 ( 0.260 0.538 -3.173) 3.229 3.390 ( 4.436 0.272 -6.768) 8.097 3.509 ( 0.370 0.198 3.453) 3.478 3.539 ( 2.096 5.087 0.610) 5.536 3.648 ( 0.610 1.173 -0.122) 1.328 3.678 ( 0.515 4.831 -2.157) 5.316 3.775 ( -0.886 0.859 2.134) 2.465 3.879 ( 2.381 3.909 1.263) 4.748 4.042 ( -0.459 2.427 0.225) 2.481 4.127 ( -1.196 5.339 2.969) 6.225 4.380 ( -0.020 3.471 -3.462) 4.902 4.433 ( 2.520 -6.735 -5.953) 9.336 4.694 ( 0.424 -1.539 -4.445) 4.723 5.016 ( 4.514 0.814 0.022) 4.587 5.153 ( -0.426 4.617 -12.317) 13.161 5.251 ( -0.166 -1.319 2.693) 3.004 5.374 ( -0.928 -1.728 -1.510) 2.476 5.586 ( 0.084 2.685 5.520) 6.140 6.062 ( -0.378 8.911 1.132) 8.991 6.392 ( 0.524 -1.292 -3.266) 3.551 6.525 ( 0.908 0.463 -0.847) 1.325 6.857 ( 0.004 -6.378 7.438) 9.798 6.887 ( -1.915 -7.474 3.271) 8.380 7.133 ( -0.800 -6.554 0.146) 6.604 7.183 ( 3.577 -1.958 1.973) 4.530 7.327 ( -1.190 6.570 -0.749) 6.719 7.548 ( -1.697 1.998 2.983) 3.971 7.605 ( 4.650 1.329 -6.142) 7.818 7.690 ( 1.375 -0.183 -1.511) 2.052 7.979 ( 2.952 -0.930 -10.201) 10.661 8.096 ( 0.716 6.034 -9.880) 11.599 8.191 ( 1.062 0.154 -7.207) 7.286 8.386 ( 4.107 -4.738 10.062) 11.855 8.650 ( -11.769 -8.024 11.372) 18.227 9.040 ( 0.456 2.852 -4.345) 5.217 9.321 ( 0.007 -1.832 0.656) 1.946 9.373 ( -1.634 0.296 -1.894) 2.519 9.667 ( -0.024 -0.116 -4.764) 4.766 10.356 ( -0.497 -2.528 7.453) 7.885 10.650 ( -1.649 -6.423 7.936) 10.341 11.068 ( 0.290 6.407 -3.128) 7.136 12.064 ( 0.560 -6.201 -7.363) 9.642 12.547 ( 0.197 -3.159 0.416) 3.193 12.873 ( -0.312 -6.638 5.466) 8.605 13.023 ( -1.168 10.184 0.875) 10.288 13.128 ( 0.100 4.527 0.281) 4.537 13.644 ( 0.200 2.043 -4.337) 4.798 14.067 ( -0.775 -5.526 -4.167) 6.964 14.123 ( 2.643 -7.373 -2.861) 8.339 14.255 ( 0.099 -0.861 0.502) 1.001 14.485 ( 5.875 -0.283 -12.908) 14.185 14.779 ( 5.197 -1.732 -1.786) 5.762 15.231 ( -0.926 -0.746 6.978) 7.078 15.546 ( -0.750 -3.270 2.187) 4.005 16.022 ( -2.849 0.969 4.770) 5.640 16.270 ( -5.249 -5.912 13.408) 15.565 16.407 ( -1.218 2.931 0.369) 3.195 16.988 ( 0.498 -1.178 -3.661) 3.878 24.526 ( -0.211 -0.874 0.221) 0.926 24.604 ( -0.235 0.184 -1.211) 1.248 24.691 ( -0.024 1.623 0.773) 1.798 24.732 ( 0.146 0.032 -0.148) 0.211 26.161 ( -0.336 -2.071 0.904) 2.284 26.221 ( 0.398 -4.101 -0.464) 4.146 26.289 ( -1.243 -0.356 0.600) 1.426 26.418 ( 0.411 -2.107 4.571) 5.050 26.665 ( -0.804 -2.135 3.038) 3.799 27.106 ( -1.037 14.246 -8.214) 16.477 27.176 ( 2.728 -5.295 -4.437) 7.427 27.683 ( 10.734 2.291 -9.646) 14.612 28.649 ( 0.877 1.511 6.793) 7.014 29.151 ( 0.294 -2.688 -1.580) 3.132 29.258 ( -7.414 -2.317 8.175) 11.277 29.762 ( -0.836 -3.205 -0.139) 3.315 ======================= Grid point 53 (24/80) ======================= q-point: (-0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -13.483 4.933 10.133) 17.573 1.175 ( -11.614 6.076 -0.599) 13.121 1.409 ( 2.971 14.164 18.664) 23.617 1.590 ( 7.249 9.606 4.125) 12.722 1.610 ( -1.932 6.717 -2.777) 7.521 1.765 ( -7.095 4.719 -3.368) 9.162 1.828 ( 1.660 -2.527 -4.148) 5.133 1.882 ( -1.931 3.480 -1.733) 4.341 2.033 ( -5.912 10.233 -1.401) 11.901 2.068 ( -0.339 3.172 3.276) 4.572 2.136 ( -2.515 -1.970 2.031) 3.786 2.334 ( -1.259 0.979 4.898) 5.151 2.464 ( 5.945 -0.060 -0.716) 5.989 2.646 ( 4.582 2.298 2.088) 5.535 2.877 ( -2.005 3.182 1.107) 3.921 3.010 ( 0.849 -1.696 -1.086) 2.186 3.042 ( 2.891 2.210 0.478) 3.670 3.087 ( -0.467 -3.531 3.836) 5.234 3.122 ( -1.681 0.667 -0.310) 1.835 3.142 ( 7.276 2.550 0.306) 7.716 3.251 ( 2.535 4.953 6.995) 8.938 3.310 ( 1.040 -0.818 0.374) 1.376 3.352 ( -0.336 -2.926 -6.153) 6.822 3.462 ( 3.195 -2.200 -3.391) 5.153 3.544 ( -0.981 3.010 -0.086) 3.167 3.583 ( 4.037 2.642 2.687) 5.523 3.629 ( -2.734 5.322 -0.559) 6.009 3.706 ( 3.220 3.247 -1.044) 4.690 3.786 ( 0.381 1.013 3.490) 3.654 3.915 ( 1.166 6.861 0.416) 6.971 4.037 ( -0.299 0.735 1.117) 1.370 4.084 ( -2.688 4.618 1.235) 5.484 4.354 ( -3.093 1.224 -5.507) 6.434 4.363 ( -5.770 -2.689 -6.690) 9.235 4.719 ( 2.291 -1.133 -4.019) 4.762 5.064 ( 0.070 -3.138 0.242) 3.148 5.160 ( 2.853 4.260 -10.708) 11.872 5.261 ( 0.647 -0.308 2.733) 2.826 5.344 ( -1.436 -2.914 -2.641) 4.187 5.598 ( -0.079 2.985 6.141) 6.829 6.061 ( 0.131 8.817 1.068) 8.883 6.398 ( 0.640 -1.695 -3.545) 3.981 6.537 ( 0.287 0.843 -0.401) 0.976 6.830 ( -2.944 -9.707 -2.957) 10.566 6.880 ( -0.523 -4.335 12.129) 12.892 7.122 ( -0.339 -5.952 0.330) 5.971 7.240 ( 1.755 0.522 1.760) 2.540 7.296 ( -1.897 5.256 1.477) 5.779 7.481 ( -5.574 -0.902 -1.180) 5.769 7.648 ( 0.506 1.334 -6.874) 7.020 7.714 ( 1.333 3.358 3.216) 4.837 7.959 ( -2.985 -2.552 -15.370) 15.864 8.095 ( 0.909 4.600 -9.405) 10.509 8.187 ( -0.168 -0.152 -6.877) 6.881 8.448 ( -6.279 -4.908 7.878) 11.206 8.558 ( 7.594 -5.849 15.801) 18.482 9.061 ( 1.824 2.750 -3.377) 4.721 9.324 ( -0.469 -1.465 2.644) 3.059 9.354 ( 0.968 0.058 -4.714) 4.813 9.671 ( 1.263 -0.316 -4.747) 4.922 10.360 ( -0.330 -2.129 7.182) 7.498 10.638 ( -0.722 -6.493 7.838) 10.204 11.069 ( 0.429 6.743 -3.114) 7.440 12.063 ( 0.595 -6.315 -7.346) 9.706 12.551 ( 0.013 -3.317 0.364) 3.336 12.877 ( -0.271 -6.645 6.205) 9.096 13.014 ( 0.315 10.379 0.060) 10.384 13.122 ( -0.743 4.531 0.125) 4.593 13.635 ( -0.471 2.155 -4.070) 4.629 14.034 ( -1.404 -3.214 -2.428) 4.266 14.134 ( -0.087 -11.220 -5.977) 12.713 14.313 ( 3.840 -0.604 3.414) 5.173 14.540 ( 2.225 3.904 -11.561) 12.404 14.834 ( -1.103 -10.116 -5.510) 11.572 15.230 ( -0.320 -0.869 7.051) 7.112 15.524 ( -1.414 -3.189 0.476) 3.521 15.986 ( -0.960 1.901 9.320) 9.560 16.196 ( -3.855 -2.407 11.089) 11.985 16.390 ( -0.336 3.114 -0.332) 3.149 16.998 ( 0.921 -1.043 -3.159) 3.452 24.526 ( 0.238 -0.875 0.265) 0.945 24.599 ( 0.070 0.148 -1.294) 1.304 24.695 ( 0.239 1.625 0.843) 1.847 24.731 ( -0.204 0.083 -0.205) 0.301 26.142 ( -1.689 -3.064 -0.273) 3.509 26.212 ( -1.066 -1.497 0.292) 1.861 26.278 ( -0.074 -0.768 0.064) 0.774 26.418 ( -1.071 -1.678 4.791) 5.188 26.664 ( 0.049 -2.556 2.848) 3.827 27.069 ( -1.413 10.904 -5.611) 12.345 27.209 ( 1.562 -2.092 -5.695) 6.265 27.839 ( 5.257 -3.083 -12.636) 14.029 28.688 ( 1.179 -0.108 10.179) 10.248 29.105 ( -5.535 1.668 8.836) 10.559 29.165 ( -0.856 -2.040 -2.866) 3.620 29.763 ( 0.978 -2.755 -0.262) 2.935 ======================= Grid point 54 (25/80) ======================= q-point: (-0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -13.843 9.386 12.218) 20.713 0.867 ( -13.595 15.320 12.692) 24.096 1.383 ( -9.266 28.438 19.028) 35.449 1.666 ( 3.420 1.175 -0.815) 3.707 1.671 ( 7.252 8.025 2.007) 11.000 1.729 ( -2.050 3.672 -5.483) 6.910 1.851 ( 1.466 3.097 -1.639) 3.799 1.954 ( 7.418 3.012 -2.777) 8.474 1.982 ( 1.272 2.542 1.601) 3.263 2.089 ( -0.928 -2.270 3.345) 4.148 2.131 ( 5.762 4.287 -0.081) 7.183 2.327 ( -1.455 1.398 8.623) 8.856 2.532 ( 0.810 1.540 0.030) 1.740 2.630 ( -2.273 1.901 0.326) 2.981 2.838 ( -3.862 -2.726 -2.718) 5.453 2.985 ( -3.867 0.213 4.523) 5.955 3.052 ( 0.274 -1.139 2.728) 2.969 3.086 ( 0.442 -2.836 -2.100) 3.556 3.110 ( 0.337 0.048 -1.118) 1.169 3.197 ( -0.464 3.174 -1.356) 3.483 3.288 ( -4.210 -1.336 -7.397) 8.615 3.314 ( 0.835 -0.048 -3.417) 3.518 3.459 ( 1.368 2.271 1.601) 3.097 3.526 ( 3.914 -2.066 -1.320) 4.619 3.531 ( 1.317 3.982 2.488) 4.876 3.591 ( 3.733 7.139 1.069) 8.127 3.675 ( 5.625 -0.907 1.470) 5.884 3.726 ( -3.904 1.607 2.375) 4.844 3.782 ( 0.137 2.283 2.769) 3.591 3.911 ( -2.746 3.463 -5.522) 7.073 4.016 ( -1.399 3.366 5.765) 6.821 4.099 ( 4.366 5.648 -1.764) 7.354 4.146 ( -9.917 3.120 -5.063) 11.563 4.336 ( 0.431 3.216 -4.290) 5.379 4.760 ( 2.330 -1.218 -5.307) 5.923 5.006 ( -7.210 -8.245 1.194) 11.018 5.206 ( 2.890 4.685 -11.222) 12.499 5.276 ( 0.039 -1.827 1.048) 2.106 5.329 ( 1.261 -0.312 -3.117) 3.377 5.601 ( -0.732 1.940 7.486) 7.768 6.071 ( 0.598 8.079 1.262) 8.199 6.408 ( 1.148 -1.570 -4.995) 5.360 6.543 ( 0.896 1.614 -1.124) 2.162 6.724 ( -7.539 -9.467 -6.626) 13.797 6.880 ( -1.577 -3.927 11.689) 12.432 7.101 ( -3.995 -4.536 -0.500) 6.065 7.191 ( -5.459 -4.812 -2.055) 7.561 7.298 ( 1.601 5.210 5.410) 7.679 7.357 ( -2.815 6.533 -5.387) 8.923 7.634 ( -0.549 -0.178 -1.875) 1.962 7.740 ( -0.784 4.964 4.565) 6.789 7.837 ( -3.858 -1.808 -14.421) 15.038 8.102 ( 1.259 5.034 -9.740) 11.036 8.168 ( -0.200 -0.214 -7.508) 7.514 8.364 ( -3.000 -2.044 7.317) 8.168 8.781 ( 9.365 -14.881 17.079) 24.512 9.090 ( 1.437 2.288 -1.643) 3.162 9.319 ( -0.078 -0.914 1.478) 1.740 9.390 ( 2.498 0.085 -2.380) 3.451 9.705 ( 2.535 -2.708 -2.058) 4.242 10.364 ( -0.671 -2.808 7.267) 7.820 10.655 ( 1.044 -6.994 7.737) 10.482 11.078 ( 0.947 8.308 -3.426) 9.036 12.063 ( 0.624 -6.387 -7.117) 9.583 12.548 ( -0.294 -3.586 -0.303) 3.611 12.880 ( -0.542 -6.606 6.275) 9.127 13.042 ( 2.341 10.234 -3.168) 10.966 13.118 ( 1.597 8.075 1.079) 8.302 13.599 ( -2.786 2.295 -4.946) 6.123 14.012 ( -0.362 -1.538 -0.304) 1.609 14.126 ( 0.724 -12.707 -7.092) 14.570 14.374 ( 0.751 -0.906 2.836) 3.070 14.559 ( 1.359 3.472 -9.795) 10.481 14.625 ( -18.085 -11.618 -11.629) 24.439 15.241 ( -0.041 -0.645 7.552) 7.579 15.513 ( 0.536 -1.973 1.790) 2.717 16.054 ( 5.442 -1.982 16.825) 17.794 16.154 ( -1.629 -2.303 11.950) 12.278 16.396 ( 1.061 3.432 -0.141) 3.595 17.011 ( 0.668 -0.954 -2.676) 2.918 24.534 ( 0.353 -1.019 0.319) 1.124 24.605 ( 0.782 0.410 -1.359) 1.621 24.701 ( 0.190 1.796 0.717) 1.943 24.725 ( -0.299 0.299 -0.188) 0.463 26.088 ( -3.135 -2.804 -0.613) 4.250 26.194 ( -0.681 1.530 1.651) 2.352 26.278 ( 0.233 -0.561 -0.893) 1.080 26.396 ( -1.660 -1.980 3.682) 4.498 26.679 ( 1.175 -2.523 1.987) 3.420 27.026 ( -2.147 5.383 -3.314) 6.676 27.224 ( 1.048 1.842 -7.919) 8.198 27.789 ( -8.975 -2.608 -18.007) 20.288 28.689 ( -3.114 -0.807 7.196) 7.882 29.113 ( 5.692 0.225 20.590) 21.363 29.148 ( -0.425 -2.557 -3.108) 4.046 29.796 ( 2.092 -2.367 -0.351) 3.178 ======================= Grid point 55 (26/80) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 3.318 16.280 6.299) 17.768 1.156 ( 1.645 18.499 14.646) 23.653 1.696 ( -2.315 5.422 -1.619) 6.114 1.771 ( -0.120 5.532 -0.976) 5.619 1.806 ( 1.854 3.788 -2.819) 5.073 1.859 ( -0.885 1.317 8.302) 8.452 1.999 ( 1.680 1.041 -0.966) 2.200 2.100 ( -1.402 8.712 2.398) 9.144 2.133 ( 6.331 12.811 1.945) 14.422 2.189 ( 1.485 8.536 1.702) 8.829 2.347 ( -1.527 7.720 10.841) 13.396 2.387 ( 3.125 4.260 -5.332) 7.506 2.569 ( -5.468 3.937 3.845) 7.758 2.680 ( 4.635 4.302 5.600) 8.447 2.812 ( 2.294 0.454 -1.172) 2.616 2.922 ( -2.863 -0.766 3.031) 4.239 3.042 ( -2.099 0.038 -2.494) 3.260 3.061 ( -3.107 2.724 -0.750) 4.200 3.123 ( 0.777 1.949 0.032) 2.099 3.182 ( -3.148 1.906 -1.769) 4.083 3.231 ( -0.927 -2.930 -4.316) 5.298 3.337 ( 0.801 -1.637 1.465) 2.338 3.402 ( -2.657 2.736 -8.371) 9.199 3.564 ( -1.610 3.648 -0.743) 4.056 3.574 ( 0.220 -1.121 -0.044) 1.143 3.613 ( 1.374 -2.871 -1.003) 3.337 3.660 ( -3.052 0.010 3.330) 4.517 3.729 ( 0.922 -0.790 4.576) 4.734 3.797 ( -3.661 5.232 -3.726) 7.393 3.972 ( 3.140 0.402 3.193) 4.497 4.123 ( -1.667 4.803 -1.935) 5.439 4.180 ( 3.198 5.754 0.684) 6.619 4.354 ( -2.914 11.881 -6.060) 13.652 4.499 ( 2.767 9.917 -3.253) 10.797 4.692 ( -4.488 1.205 0.970) 4.747 4.893 ( 2.279 4.987 -0.108) 5.484 5.217 ( -0.334 -2.376 2.949) 3.802 5.269 ( 4.437 -1.560 -5.058) 6.907 5.469 ( -0.225 8.191 -7.963) 11.426 5.548 ( -1.524 -5.250 5.201) 7.545 6.265 ( 0.233 10.113 -0.047) 10.116 6.385 ( 0.016 -0.586 -4.007) 4.050 6.501 ( -1.675 -1.774 -2.299) 3.352 6.624 ( 7.099 -3.192 -2.416) 8.150 6.810 ( -2.238 -2.367 3.479) 4.766 6.884 ( -3.453 -4.343 6.068) 8.222 7.051 ( -0.696 -5.155 0.019) 5.202 7.389 ( -0.462 -3.127 2.704) 4.160 7.421 ( 3.853 -0.038 3.152) 4.978 7.630 ( -2.166 -3.876 -1.662) 4.741 7.710 ( -0.473 7.974 -3.015) 8.538 7.865 ( 2.370 2.609 -3.316) 4.840 8.142 ( 0.577 -1.828 -4.067) 4.496 8.237 ( 1.790 4.447 -9.203) 10.377 8.304 ( -1.917 0.128 5.133) 5.481 8.603 ( 0.148 -12.528 11.308) 16.877 9.118 ( -0.382 0.431 -5.063) 5.096 9.292 ( 0.005 -1.325 -0.807) 1.551 9.419 ( 0.482 -1.275 0.923) 1.646 9.651 ( 0.110 -4.253 -3.793) 5.700 10.279 ( -0.865 -3.717 6.010) 7.119 10.490 ( -0.042 -9.875 6.413) 11.775 11.280 ( 0.037 10.189 -3.668) 10.829 11.925 ( 0.687 -7.210 -6.758) 9.906 12.463 ( -0.141 -4.153 0.701) 4.214 12.708 ( -0.912 -9.919 7.459) 12.444 13.166 ( 0.276 5.152 -2.952) 5.944 13.438 ( 1.668 9.712 -5.864) 11.467 13.632 ( 0.636 6.420 -4.350) 7.782 13.861 ( 1.597 -12.133 -6.110) 13.678 14.040 ( 0.836 -1.587 -0.028) 1.794 14.135 ( -4.523 -2.952 -0.715) 5.448 14.385 ( -2.648 1.971 1.116) 3.485 14.674 ( 2.926 1.253 -6.409) 7.156 15.234 ( -0.618 -0.675 6.284) 6.350 15.472 ( 0.358 -4.202 2.652) 4.981 16.096 ( -0.033 -0.633 9.871) 9.891 16.116 ( 0.233 -2.206 13.985) 14.160 16.504 ( 0.658 5.061 0.340) 5.115 16.963 ( -0.362 -3.624 -2.309) 4.312 24.523 ( -0.048 -0.229 0.439) 0.498 24.611 ( 0.312 -1.036 -0.976) 1.457 24.732 ( -0.229 1.140 -0.181) 1.177 24.740 ( 0.035 1.277 -0.008) 1.277 26.052 ( 0.904 -0.556 1.338) 1.708 26.206 ( -1.572 -0.377 -0.329) 1.649 26.274 ( 1.984 -2.257 1.784) 3.495 26.332 ( -0.680 -0.587 3.286) 3.407 26.678 ( 0.582 -0.957 1.513) 1.882 26.869 ( -1.192 -6.047 1.217) 6.282 27.469 ( 3.133 12.017 -15.035) 19.501 27.692 ( -4.138 7.571 -8.404) 12.045 28.689 ( -1.058 3.380 4.140) 5.449 29.070 ( 0.105 -4.319 -2.390) 4.938 29.234 ( 2.019 1.432 15.092) 15.294 29.721 ( -0.345 -6.752 0.564) 6.784 ======================= Grid point 56 (27/80) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 4.647 14.874 7.157) 17.148 1.291 ( 8.482 15.685 13.754) 22.520 1.652 ( -1.640 2.717 -0.608) 3.232 1.754 ( -7.572 0.789 7.059) 10.382 1.817 ( 3.389 3.920 -1.938) 5.532 1.879 ( 1.557 1.821 -0.820) 2.532 2.030 ( 0.234 2.776 2.038) 3.452 2.099 ( 4.052 6.026 1.347) 7.386 2.118 ( -4.062 4.824 0.072) 6.306 2.197 ( -8.709 10.435 7.289) 15.423 2.329 ( 0.970 10.404 8.336) 13.367 2.436 ( -1.025 6.116 -3.131) 6.947 2.467 ( 0.345 9.620 4.887) 10.796 2.723 ( -3.906 4.779 -0.539) 6.196 2.819 ( -1.636 -0.469 2.392) 2.936 2.914 ( 2.230 -0.197 -1.049) 2.473 2.999 ( -0.112 -4.816 -1.247) 4.976 3.015 ( -0.252 0.450 -1.943) 2.011 3.143 ( 0.123 2.065 -2.780) 3.466 3.152 ( 0.939 0.647 -0.551) 1.267 3.233 ( 3.316 -4.234 -5.864) 7.957 3.327 ( 0.200 -1.399 -2.321) 2.718 3.390 ( -1.442 1.977 0.142) 2.452 3.479 ( -3.107 6.006 -2.641) 7.260 3.547 ( -4.212 -2.537 -2.471) 5.503 3.587 ( -0.747 2.795 1.106) 3.097 3.715 ( 6.082 3.574 3.028) 7.676 3.749 ( -0.970 7.510 -1.080) 7.649 3.816 ( 4.269 0.125 2.904) 5.165 3.980 ( -2.614 3.903 -2.151) 5.167 4.147 ( 1.791 1.522 2.354) 3.327 4.187 ( -3.126 5.420 -2.826) 6.865 4.287 ( 2.788 6.828 -0.642) 7.403 4.529 ( 0.439 10.356 -2.950) 10.777 4.660 ( 0.171 1.437 -0.903) 1.706 4.967 ( 3.822 3.305 1.275) 5.211 5.205 ( -1.662 -1.670 3.750) 4.429 5.331 ( 2.455 1.625 -6.762) 7.375 5.422 ( -2.430 6.312 -5.548) 8.748 5.549 ( 0.637 -4.102 2.907) 5.068 6.267 ( -0.047 10.468 -0.169) 10.469 6.374 ( -0.211 -0.031 -1.803) 1.815 6.499 ( 1.245 -1.035 -2.737) 3.180 6.750 ( -0.000 -4.492 1.674) 4.794 6.832 ( 7.894 -9.936 -3.364) 13.129 6.841 ( -2.238 -2.204 8.660) 9.212 7.037 ( -0.428 -5.758 0.630) 5.808 7.374 ( -1.761 -3.882 6.320) 7.623 7.518 ( 3.954 -1.408 1.621) 4.499 7.612 ( 1.177 -1.918 -4.595) 5.116 7.715 ( 1.336 9.242 -3.571) 9.997 7.918 ( 3.323 0.858 -4.457) 5.626 8.153 ( 1.070 -1.641 -3.888) 4.354 8.250 ( 0.795 5.002 -10.830) 11.956 8.280 ( -0.958 -0.731 7.890) 7.981 8.584 ( -3.808 -11.515 10.140) 15.809 9.094 ( -0.734 0.824 -5.685) 5.791 9.288 ( -0.188 -1.595 -1.494) 2.194 9.407 ( -1.615 -1.113 1.133) 2.265 9.642 ( -0.150 -3.845 -4.232) 5.720 10.283 ( 0.100 -3.414 5.940) 6.852 10.498 ( -0.392 -9.408 6.474) 11.427 11.258 ( -1.119 10.537 -3.289) 11.095 11.927 ( 0.587 -7.213 -6.794) 9.926 12.466 ( 0.188 -4.160 1.363) 4.382 12.702 ( -0.814 -9.947 7.054) 12.221 13.173 ( 0.754 4.816 -2.872) 5.658 13.373 ( -4.374 12.536 -1.546) 13.367 13.692 ( 3.222 4.017 -6.676) 8.431 13.874 ( 0.112 -10.885 -5.812) 12.340 14.010 ( 0.610 -2.243 1.006) 2.533 14.188 ( 3.676 -6.109 -3.794) 8.077 14.359 ( 1.759 3.717 -1.435) 4.355 14.728 ( 2.731 0.438 -3.895) 4.777 15.225 ( -1.126 -0.792 5.914) 6.072 15.476 ( -0.432 -4.629 2.561) 5.307 16.079 ( -1.876 0.879 6.741) 7.052 16.162 ( 0.174 -4.909 15.686) 16.437 16.506 ( -0.630 4.859 0.592) 4.935 16.949 ( -0.297 -3.393 -2.964) 4.515 24.520 ( -0.274 -0.094 0.381) 0.479 24.609 ( -0.290 -0.774 -0.855) 1.189 24.727 ( -0.266 1.333 -0.040) 1.360 24.738 ( -0.146 0.871 -0.068) 0.886 26.082 ( 1.610 -2.204 0.947) 2.889 26.173 ( -1.643 -2.468 -0.496) 3.006 26.291 ( -0.111 -0.708 2.717) 2.810 26.357 ( 1.619 -0.672 3.865) 4.244 26.671 ( -1.308 -0.453 2.623) 2.966 26.900 ( 3.469 -7.823 -1.124) 8.631 27.481 ( 0.171 13.298 -16.173) 20.939 27.664 ( 3.134 8.046 -5.964) 10.495 28.684 ( -0.120 3.567 4.152) 5.475 29.074 ( 0.657 -4.254 -2.125) 4.800 29.276 ( -0.768 -0.239 12.745) 12.771 29.698 ( -1.615 -6.255 0.554) 6.484 ======================= Grid point 57 (28/80) ======================= q-point: ( 0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 3.483 8.578 6.236) 11.162 1.472 ( -7.437 6.633 7.707) 12.598 1.523 ( 5.074 4.513 10.016) 12.101 1.711 ( -0.336 1.575 3.890) 4.210 1.785 ( -3.470 7.313 -1.475) 8.228 1.932 ( -5.876 12.019 3.441) 13.814 1.972 ( 0.286 -1.312 3.115) 3.392 1.983 ( -4.806 7.020 -1.058) 8.574 2.099 ( -0.612 -0.242 3.758) 3.815 2.201 ( -3.200 6.369 2.481) 7.547 2.329 ( 5.153 6.487 4.534) 9.445 2.395 ( -1.605 6.965 -5.580) 9.068 2.533 ( -2.732 10.437 -2.691) 11.120 2.598 ( -0.177 2.690 1.264) 2.978 2.830 ( 2.092 -3.278 1.863) 4.311 2.970 ( 0.195 -4.016 1.670) 4.353 3.017 ( 2.727 -0.334 -0.685) 2.832 3.036 ( 3.429 0.256 -4.311) 5.515 3.153 ( 0.939 -0.719 -2.632) 2.885 3.185 ( 3.234 -0.198 2.014) 3.815 3.273 ( -3.596 1.553 -2.043) 4.418 3.292 ( 0.193 -1.997 -1.604) 2.568 3.349 ( -4.806 5.644 -3.199) 8.074 3.445 ( 3.183 1.950 -2.769) 4.647 3.515 ( 1.118 2.608 2.615) 3.859 3.587 ( 0.576 2.155 1.425) 2.647 3.745 ( 0.419 8.429 0.163) 8.441 3.831 ( 2.502 5.608 -0.673) 6.178 3.864 ( 1.951 5.120 4.152) 6.875 3.973 ( 2.351 6.430 0.109) 6.847 4.094 ( -2.275 3.139 -3.174) 5.010 4.197 ( -0.283 1.790 3.668) 4.091 4.356 ( 2.155 1.955 -1.777) 3.409 4.503 ( -2.357 8.814 -3.506) 9.774 4.670 ( 1.132 0.836 -1.694) 2.202 5.034 ( 2.289 0.376 1.233) 2.627 5.162 ( -2.862 -2.339 4.397) 5.744 5.338 ( -1.521 -1.416 -3.497) 4.068 5.383 ( 0.879 10.833 -9.059) 14.149 5.575 ( 1.145 -3.326 2.857) 4.532 6.263 ( -0.201 10.646 -0.620) 10.666 6.372 ( 0.059 -0.127 -0.513) 0.532 6.525 ( 1.359 -0.659 -2.142) 2.621 6.726 ( -1.744 -6.386 -1.740) 6.844 6.825 ( -0.825 -0.834 10.528) 10.593 6.945 ( 2.038 -10.924 -0.968) 11.155 7.067 ( 3.324 -7.469 2.595) 8.577 7.342 ( -2.509 -4.171 9.292) 10.489 7.547 ( -0.687 -0.107 -2.499) 2.594 7.655 ( 2.580 -3.400 -3.302) 5.396 7.743 ( 2.143 8.949 -7.871) 12.109 7.966 ( 1.401 -0.134 -6.104) 6.264 8.165 ( 0.592 -1.293 -3.700) 3.964 8.232 ( -0.390 3.726 -9.535) 10.245 8.304 ( 1.610 -2.086 9.484) 9.844 8.501 ( -4.925 -6.458 7.898) 11.328 9.081 ( 0.730 1.188 -6.106) 6.263 9.282 ( 0.011 -1.756 -1.540) 2.335 9.372 ( -1.585 -0.796 0.115) 1.777 9.635 ( 0.297 -3.474 -4.925) 6.034 10.298 ( 0.184 -2.905 6.115) 6.772 10.495 ( -0.974 -8.419 6.257) 10.535 11.237 ( -0.270 10.220 -2.740) 10.584 11.925 ( 0.468 -7.286 -6.968) 10.092 12.473 ( 0.117 -4.071 1.833) 4.466 12.700 ( -0.538 -10.017 7.489) 12.518 13.182 ( 0.536 4.988 -3.238) 5.971 13.305 ( -2.070 13.145 0.644) 13.323 13.717 ( 0.767 4.536 -6.029) 7.583 13.858 ( -0.190 -11.457 -6.779) 13.314 14.043 ( 0.448 -3.240 0.824) 3.373 14.212 ( 1.579 -4.622 -2.636) 5.550 14.455 ( 5.801 -0.740 -4.855) 7.601 14.757 ( 0.245 -1.282 -2.412) 2.742 15.213 ( -0.864 -0.762 5.477) 5.597 15.465 ( -0.901 -4.737 1.903) 5.184 16.050 ( -2.027 1.721 7.014) 7.502 16.170 ( -1.593 -3.623 13.182) 13.764 16.487 ( -0.971 5.178 0.174) 5.271 16.946 ( 0.476 -3.328 -3.094) 4.569 24.516 ( -0.164 0.009 0.321) 0.360 24.600 ( -0.319 -0.618 -0.983) 1.204 24.724 ( 0.016 1.489 0.180) 1.500 24.736 ( -0.034 0.407 -0.035) 0.410 26.110 ( 0.231 -2.719 -0.010) 2.729 26.144 ( -0.323 -3.485 -0.290) 3.512 26.290 ( -0.572 0.502 2.598) 2.707 26.385 ( 0.217 -1.390 5.400) 5.580 26.652 ( -0.817 0.284 3.027) 3.148 26.961 ( 2.085 -9.874 -2.584) 10.417 27.447 ( -0.362 14.501 -13.161) 19.586 27.755 ( 5.576 4.268 -7.643) 10.379 28.696 ( 0.391 3.269 5.275) 6.218 29.085 ( 0.576 -4.239 -1.616) 4.573 29.246 ( -3.654 1.602 8.993) 9.838 29.673 ( -0.628 -5.649 0.796) 5.739 ======================= Grid point 58 (29/80) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -8.513 4.266 7.077) 11.864 1.320 ( -5.192 6.877 3.867) 9.445 1.612 ( -0.790 7.429 12.897) 14.904 1.762 ( 1.815 9.567 1.992) 9.940 1.775 ( 7.351 1.916 2.334) 7.947 1.851 ( -2.245 3.589 -4.428) 6.126 1.914 ( 1.545 10.832 1.533) 11.048 1.991 ( -2.603 4.560 -1.335) 5.417 2.062 ( -1.929 4.989 4.719) 7.133 2.114 ( -3.655 3.912 3.242) 6.259 2.342 ( -3.039 11.188 -3.738) 12.181 2.398 ( -2.732 5.447 1.086) 6.189 2.472 ( 4.897 3.107 -1.792) 6.070 2.696 ( 3.500 0.920 0.861) 3.720 2.856 ( -0.867 -3.240 1.513) 3.680 2.972 ( 0.273 -5.003 2.662) 5.673 3.002 ( -0.954 -1.603 -1.297) 2.272 3.115 ( 0.230 1.406 -1.756) 2.261 3.164 ( -0.057 3.964 -1.761) 4.338 3.190 ( -0.915 3.830 1.178) 4.110 3.268 ( 2.219 -3.597 -3.157) 5.276 3.294 ( 2.676 -0.328 -1.051) 2.894 3.379 ( 5.987 2.747 4.066) 7.741 3.471 ( 0.456 3.511 -3.437) 4.934 3.541 ( 1.035 -0.030 2.379) 2.594 3.612 ( 0.079 2.355 1.207) 2.647 3.759 ( 1.066 5.703 -0.712) 5.845 3.831 ( -1.505 6.287 -0.023) 6.465 3.902 ( -0.585 7.713 5.078) 9.253 4.020 ( -1.227 2.529 -1.277) 3.088 4.079 ( 3.334 4.372 0.040) 5.499 4.171 ( -1.993 3.777 1.332) 4.474 4.351 ( -1.858 5.970 -2.497) 6.732 4.441 ( -1.865 6.952 -5.275) 8.924 4.705 ( 2.365 0.745 -0.860) 2.625 5.038 ( -2.784 -0.119 1.369) 3.105 5.140 ( 0.676 -3.942 3.917) 5.598 5.283 ( -2.624 -2.832 -4.249) 5.741 5.408 ( 2.607 10.746 -8.582) 13.997 5.594 ( -0.006 -2.824 3.440) 4.451 6.259 ( -0.044 10.460 -0.654) 10.481 6.373 ( 0.186 -0.218 -0.622) 0.685 6.540 ( 0.579 -0.714 -2.593) 2.751 6.671 ( -3.332 -6.423 -2.040) 7.518 6.837 ( -0.150 -0.887 10.439) 10.477 6.962 ( 0.532 -9.232 -0.108) 9.248 7.118 ( -0.197 -8.650 3.297) 9.259 7.317 ( -1.058 -2.968 10.283) 10.755 7.500 ( -3.018 0.633 -5.735) 6.512 7.679 ( 0.273 -2.342 -1.262) 2.674 7.770 ( 1.947 5.307 -11.022) 12.387 7.925 ( -4.368 0.873 -4.194) 6.118 8.162 ( -0.328 -1.681 -3.087) 3.530 8.212 ( 0.413 3.705 -10.028) 10.699 8.349 ( -0.293 -3.386 8.722) 9.361 8.464 ( 1.367 -3.879 8.220) 9.192 9.100 ( 1.780 1.009 -5.651) 6.010 9.286 ( 0.423 -1.788 -0.438) 1.889 9.356 ( 0.413 -0.439 -1.222) 1.362 9.637 ( 0.809 -3.472 -5.004) 6.144 10.305 ( -0.589 -2.934 6.207) 6.891 10.485 ( -0.926 -8.189 6.104) 10.255 11.240 ( 1.012 10.089 -2.629) 10.475 11.923 ( 0.531 -7.319 -7.028) 10.161 12.475 ( -0.239 -4.062 1.522) 4.344 12.705 ( -0.371 -10.027 8.162) 12.934 13.182 ( 0.042 5.286 -3.629) 6.412 13.291 ( 0.706 12.900 0.442) 12.927 13.714 ( -0.083 5.553 -5.777) 8.014 13.847 ( 0.297 -12.277 -7.375) 14.324 14.020 ( -1.737 -3.153 0.010) 3.600 14.269 ( 3.217 -4.876 -0.566) 5.869 14.524 ( 1.073 -3.466 -4.106) 5.479 14.714 ( -3.761 -1.867 -3.905) 5.734 15.214 ( -0.003 -0.513 5.657) 5.681 15.452 ( -0.461 -4.155 1.447) 4.424 16.029 ( -1.109 2.300 9.270) 9.616 16.152 ( -2.076 -1.801 10.810) 11.154 16.476 ( -0.036 5.526 -0.264) 5.532 16.955 ( 0.855 -3.439 -2.604) 4.397 24.516 ( 0.120 -0.060 0.341) 0.367 24.595 ( 0.073 -0.616 -1.116) 1.277 24.728 ( 0.331 1.513 0.292) 1.576 24.736 ( 0.009 0.416 -0.059) 0.420 26.083 ( -1.789 -2.390 -0.519) 3.030 26.171 ( 2.071 -2.884 0.388) 3.572 26.274 ( -1.334 0.636 1.722) 2.269 26.384 ( -1.246 -1.663 5.621) 5.993 26.648 ( -0.122 0.367 2.835) 2.862 26.968 ( -0.898 -9.714 -2.113) 9.981 27.429 ( 0.721 14.037 -12.101) 18.547 27.827 ( 2.257 1.208 -9.065) 9.420 28.712 ( -0.027 2.539 6.367) 6.854 29.088 ( -0.057 -4.347 -1.572) 4.623 29.182 ( -3.250 4.681 8.422) 10.169 29.679 ( 1.002 -5.583 0.843) 5.734 ======================= Grid point 59 (30/80) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -6.083 11.460 5.473) 14.082 1.186 ( -6.661 15.530 11.124) 20.231 1.674 ( 2.925 2.285 5.347) 6.509 1.811 ( -1.539 6.906 -2.241) 7.422 1.838 ( 1.690 5.036 -3.794) 6.528 1.854 ( -3.022 -3.723 2.840) 5.573 1.914 ( 5.873 15.748 5.832) 17.790 1.996 ( 0.744 5.320 -2.669) 5.999 2.106 ( 2.831 6.734 -1.271) 7.415 2.115 ( 6.307 8.767 1.844) 10.956 2.304 ( 1.476 10.613 -1.128) 10.774 2.377 ( -2.230 4.351 9.317) 10.522 2.546 ( 3.311 2.728 0.967) 4.397 2.701 ( -2.483 0.950 0.534) 2.711 2.808 ( -2.400 -0.078 -0.507) 2.454 2.964 ( -1.796 -3.475 3.789) 5.446 3.026 ( 2.707 1.056 0.791) 3.012 3.105 ( -0.780 3.449 -1.698) 3.923 3.129 ( -1.276 3.346 3.791) 5.215 3.230 ( 0.945 0.088 -2.387) 2.569 3.259 ( -1.770 -1.854 -4.828) 5.466 3.329 ( 0.359 -0.256 0.421) 0.610 3.462 ( -0.983 0.046 -5.878) 5.960 3.501 ( 5.610 -0.886 0.525) 5.704 3.586 ( 0.648 1.169 2.446) 2.788 3.594 ( -0.644 -0.466 -0.654) 1.030 3.734 ( -3.732 2.114 2.301) 4.867 3.772 ( -4.099 2.227 3.415) 5.781 3.907 ( -2.151 2.079 -3.008) 4.242 3.931 ( -2.204 7.336 2.871) 8.180 4.130 ( 0.768 5.879 1.307) 6.071 4.162 ( -0.472 1.371 -3.150) 3.468 4.331 ( 2.257 14.213 -1.727) 14.494 4.444 ( 2.662 8.375 -4.222) 9.749 4.747 ( 1.124 0.775 -1.010) 1.698 4.942 ( -6.216 0.733 2.013) 6.575 5.183 ( 2.945 -4.188 1.395) 5.306 5.234 ( -0.956 -2.731 -4.469) 5.324 5.451 ( 2.658 9.026 -7.704) 12.161 5.582 ( -1.826 -3.383 4.216) 5.705 6.260 ( 0.215 10.185 -0.351) 10.193 6.379 ( 0.698 -0.507 -2.260) 2.419 6.549 ( 1.311 -1.331 -3.896) 4.320 6.582 ( -4.674 -4.310 -1.919) 6.641 6.840 ( -1.406 -1.066 8.653) 8.831 6.953 ( -2.449 -8.544 0.885) 8.932 7.075 ( -2.639 -5.298 2.411) 6.391 7.344 ( 1.745 -2.388 9.225) 9.687 7.426 ( -2.383 0.659 -5.717) 6.229 7.671 ( -0.994 -1.619 -0.196) 1.910 7.758 ( -2.303 1.191 -10.280) 10.602 7.842 ( -0.833 5.290 -0.341) 5.366 8.147 ( -0.366 -1.943 -3.554) 4.067 8.217 ( 1.591 4.005 -9.721) 10.633 8.332 ( -1.730 -0.442 5.518) 5.800 8.545 ( 3.252 -9.189 11.168) 14.823 9.121 ( 0.955 0.683 -5.271) 5.400 9.291 ( 0.116 -1.325 0.019) 1.330 9.386 ( 2.265 -0.946 -0.557) 2.517 9.647 ( 0.822 -3.889 -4.382) 5.917 10.294 ( -1.397 -3.504 6.097) 7.169 10.482 ( -0.328 -9.047 6.240) 10.995 11.265 ( 1.643 10.174 -3.078) 10.755 11.923 ( 0.639 -7.269 -6.904) 10.045 12.469 ( -0.453 -4.113 0.823) 4.219 12.710 ( -0.607 -9.994 8.186) 12.933 13.173 ( -0.247 5.261 -3.402) 6.270 13.346 ( 4.866 12.143 -2.021) 13.236 13.683 ( -2.213 5.855 -5.858) 8.574 13.846 ( 0.917 -12.365 -7.129) 14.302 14.004 ( 0.598 -1.979 0.407) 2.107 14.284 ( -3.712 -8.148 -1.428) 9.067 14.458 ( -5.706 -1.078 1.189) 5.927 14.650 ( 0.001 1.746 -7.806) 7.999 15.228 ( 0.112 -0.522 6.242) 6.265 15.456 ( 0.539 -3.788 2.059) 4.345 16.046 ( 0.957 0.844 13.031) 13.093 16.128 ( -1.853 -0.666 9.286) 9.492 16.485 ( 0.921 5.543 -0.162) 5.622 16.966 ( 0.436 -3.614 -2.150) 4.228 24.521 ( 0.206 -0.204 0.415) 0.506 24.601 ( 0.646 -0.807 -1.064) 1.483 24.735 ( 0.099 0.805 -0.064) 0.813 24.736 ( 0.173 1.462 0.097) 1.476 26.052 ( -1.011 -0.936 0.229) 1.397 26.218 ( 2.195 -0.861 1.875) 3.012 26.244 ( -1.485 -0.934 -0.620) 1.861 26.358 ( -1.960 -1.592 4.717) 5.350 26.657 ( 0.659 -0.024 2.240) 2.335 26.923 ( -3.085 -8.128 -0.230) 8.697 27.436 ( 2.113 12.878 -12.647) 18.173 27.799 ( -3.249 2.293 -10.478) 11.208 28.708 ( -1.328 2.524 5.407) 6.113 29.078 ( -0.435 -4.476 -2.278) 5.041 29.172 ( 0.742 5.130 12.818) 13.826 29.708 ( 1.290 -6.189 0.734) 6.364 ======================= Grid point 60 (31/80) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 4.504 13.623 2.691) 14.598 1.439 ( 2.142 9.175 8.909) 12.967 1.698 ( -2.838 -4.590 6.881) 8.745 1.777 ( 2.239 -0.683 4.244) 4.847 1.869 ( -2.373 1.620 -0.793) 2.981 1.919 ( 0.039 4.299 -0.885) 4.389 2.077 ( 4.565 5.873 -3.861) 8.381 2.223 ( 1.077 2.897 -0.774) 3.186 2.253 ( -3.913 5.752 -0.273) 6.962 2.403 ( -0.793 5.045 0.396) 5.122 2.464 ( 3.400 4.181 -0.185) 5.392 2.527 ( 2.215 8.733 2.871) 9.456 2.617 ( 1.247 1.742 1.372) 2.544 2.703 ( 2.084 -2.085 3.630) 4.676 2.844 ( 1.127 2.186 3.075) 3.937 2.908 ( -1.174 -0.134 1.047) 1.579 3.007 ( -3.490 -3.757 -0.824) 5.194 3.078 ( -4.460 -3.708 -5.713) 8.141 3.180 ( -1.288 3.291 -2.936) 4.594 3.227 ( -0.477 2.179 -0.439) 2.273 3.273 ( -4.057 2.453 1.629) 5.013 3.344 ( 2.213 9.781 3.156) 10.513 3.422 ( -1.596 -1.981 -2.346) 3.461 3.570 ( 0.079 1.033 -0.748) 1.278 3.573 ( 1.061 -1.271 -0.004) 1.656 3.642 ( -0.906 3.525 -0.302) 3.652 3.659 ( -0.272 0.476 4.774) 4.805 3.714 ( 1.079 0.839 1.991) 2.415 3.880 ( -1.261 0.602 1.197) 1.840 3.945 ( -2.812 -4.266 1.389) 5.295 4.155 ( -0.055 2.616 -3.176) 4.115 4.259 ( -0.153 1.071 -1.916) 2.200 4.611 ( -1.831 12.316 -4.799) 13.344 4.668 ( 0.942 6.738 -2.615) 7.288 4.865 ( 0.244 14.017 2.447) 14.231 4.986 ( 1.700 3.490 0.636) 3.934 5.165 ( 1.704 -2.376 2.625) 3.929 5.223 ( 4.694 -2.538 -2.237) 5.787 5.428 ( -1.640 -4.803 1.368) 5.256 5.575 ( -0.785 0.360 -4.877) 4.953 6.378 ( 0.028 1.920 -0.682) 2.038 6.446 ( 0.306 3.868 0.127) 3.882 6.485 ( -0.912 0.636 -3.664) 3.829 6.576 ( 3.639 -0.944 -5.162) 6.386 6.734 ( -2.961 -3.257 -0.904) 4.494 6.831 ( -0.716 -3.129 4.659) 5.658 7.007 ( -1.833 1.905 7.247) 7.714 7.269 ( -0.174 -7.646 9.135) 11.914 7.405 ( 1.770 -0.790 -1.734) 2.601 7.528 ( -0.167 -5.667 -2.342) 6.134 7.867 ( 0.445 7.200 -0.906) 7.270 7.951 ( 0.698 5.651 -4.433) 7.217 8.089 ( 0.445 -3.267 -2.219) 3.975 8.243 ( 1.650 -5.544 -6.083) 8.394 8.330 ( -1.771 2.492 7.392) 7.999 8.436 ( -0.238 -3.687 4.963) 6.187 9.127 ( -0.036 1.165 -6.835) 6.933 9.267 ( 0.130 -2.457 -3.032) 3.905 9.384 ( 0.343 -0.703 -0.225) 0.814 9.548 ( 0.172 -6.097 -3.814) 7.193 10.232 ( -0.670 -0.848 4.904) 5.021 10.331 ( -0.234 -6.198 5.477) 8.274 11.478 ( 0.385 9.887 -4.422) 10.838 11.793 ( 0.734 -6.465 -6.718) 9.353 12.398 ( -0.415 -1.975 3.120) 3.716 12.522 ( -0.849 -8.318 7.350) 11.133 13.270 ( 0.247 5.672 -4.658) 7.344 13.530 ( 0.784 -3.835 -5.842) 7.032 13.715 ( 1.076 1.575 -4.428) 4.821 13.753 ( 1.338 4.485 -4.267) 6.334 14.010 ( 0.010 -1.422 0.073) 1.424 14.066 ( -1.874 -3.982 -1.188) 4.559 14.451 ( -1.197 4.788 0.862) 5.010 14.654 ( 1.858 -3.228 -3.498) 5.110 15.236 ( -0.569 1.246 4.361) 4.571 15.379 ( -0.045 -5.019 2.578) 5.642 16.089 ( 0.045 0.449 11.489) 11.498 16.110 ( -1.150 -0.027 8.824) 8.899 16.618 ( 0.293 6.386 -0.321) 6.400 16.870 ( -0.179 -5.692 -1.923) 6.010 24.530 ( 0.044 0.849 0.335) 0.913 24.584 ( 0.257 -1.568 -0.432) 1.647 24.751 ( -0.088 0.820 -0.298) 0.877 24.760 ( -0.083 0.605 -0.301) 0.681 26.054 ( 0.168 0.897 0.778) 1.199 26.152 ( -1.175 -3.796 -0.792) 4.051 26.272 ( 0.828 1.305 3.640) 3.955 26.321 ( -0.030 -0.779 3.513) 3.598 26.677 ( 0.027 0.798 2.198) 2.338 26.770 ( -0.633 -4.063 2.007) 4.576 27.666 ( 2.243 8.102 -14.201) 16.503 27.791 ( -0.819 2.307 -10.746) 11.022 28.769 ( -0.569 4.730 2.891) 5.573 28.974 ( 0.021 -5.276 -0.814) 5.338 29.312 ( 0.274 5.660 9.303) 10.893 29.579 ( -0.422 -7.444 2.576) 7.889 ======================= Grid point 61 (32/80) ======================= q-point: ( 0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 1.288 12.597 5.662) 13.871 1.513 ( 3.311 7.432 11.368) 13.980 1.671 ( -2.557 -3.794 1.868) 4.942 1.722 ( -5.634 -3.283 8.890) 11.025 1.876 ( 3.943 4.582 -0.923) 6.115 1.942 ( 1.519 2.885 -1.276) 3.501 2.127 ( -2.366 8.279 1.692) 8.775 2.208 ( 0.985 5.175 -1.244) 5.413 2.225 ( -0.573 4.035 -0.627) 4.124 2.351 ( -2.396 4.587 0.210) 5.179 2.423 ( -6.183 3.146 2.860) 7.504 2.578 ( 0.061 6.859 0.518) 6.879 2.622 ( -0.589 1.576 2.679) 3.163 2.753 ( -0.117 -1.424 2.645) 3.006 2.819 ( -3.624 1.551 4.218) 5.773 2.900 ( -2.306 -2.632 2.487) 4.293 2.915 ( 0.398 -2.069 -6.070) 6.425 3.004 ( 0.255 -4.189 -5.982) 7.307 3.161 ( 0.528 -0.944 -3.020) 3.208 3.194 ( -2.135 0.577 -2.394) 3.259 3.244 ( -0.251 9.456 1.217) 9.537 3.375 ( 1.999 6.361 -2.170) 7.012 3.398 ( -1.212 -0.619 2.968) 3.265 3.510 ( -3.885 -0.217 -2.500) 4.626 3.564 ( -0.823 1.428 -2.223) 2.767 3.658 ( 1.132 4.214 0.712) 4.421 3.738 ( 6.376 -1.604 2.058) 6.889 3.822 ( 7.310 3.680 1.554) 8.331 3.903 ( -1.272 -0.878 -0.894) 1.786 3.944 ( 5.427 -0.073 1.374) 5.599 4.149 ( -0.341 -0.179 -0.824) 0.909 4.230 ( -2.063 -0.227 -0.973) 2.292 4.560 ( -1.110 15.201 -4.287) 15.833 4.675 ( 0.029 5.604 -3.223) 6.464 4.868 ( -0.887 16.383 3.676) 16.814 5.006 ( 0.177 0.191 2.975) 2.986 5.158 ( -2.917 -3.083 3.473) 5.484 5.298 ( 2.020 -3.265 -0.416) 3.862 5.452 ( 3.191 -2.096 -0.560) 3.858 5.551 ( -0.204 1.405 -6.404) 6.560 6.380 ( 0.175 1.911 0.190) 1.929 6.445 ( -0.246 3.234 0.871) 3.359 6.490 ( 1.523 1.814 -5.296) 5.801 6.642 ( 1.309 -7.074 -5.510) 9.062 6.687 ( 0.641 -1.059 0.624) 1.386 6.820 ( -0.996 -3.350 4.618) 5.792 6.989 ( -0.993 2.582 8.229) 8.682 7.258 ( -2.112 -6.987 9.768) 12.194 7.468 ( 3.653 -2.759 -1.453) 4.803 7.541 ( 1.638 -4.600 -3.436) 5.971 7.883 ( 1.189 7.186 -1.837) 7.512 7.965 ( 1.531 4.008 -5.099) 6.664 8.099 ( 0.801 -3.234 -2.061) 3.918 8.246 ( -0.795 -6.585 -4.051) 7.772 8.317 ( -0.453 3.767 6.541) 7.562 8.435 ( -0.555 -2.870 3.689) 4.707 9.110 ( -0.237 1.512 -7.150) 7.312 9.259 ( -0.266 -2.579 -3.699) 4.517 9.375 ( -1.051 -0.597 0.103) 1.213 9.541 ( -0.067 -6.117 -3.842) 7.224 10.240 ( 0.463 -0.717 4.900) 4.974 10.342 ( 0.238 -6.213 5.520) 8.314 11.465 ( -0.678 10.365 -4.294) 11.240 11.794 ( 0.431 -6.601 -6.690) 9.408 12.400 ( -0.034 -2.103 3.546) 4.123 12.517 ( -0.770 -8.193 7.078) 10.854 13.271 ( 0.600 5.457 -4.660) 7.201 13.521 ( -0.496 -2.322 -4.907) 5.451 13.699 ( -0.339 3.386 -3.615) 4.964 13.824 ( 3.281 3.389 -5.243) 7.053 13.964 ( -1.299 -2.328 0.197) 2.673 14.069 ( 0.341 -6.185 -2.842) 6.816 14.452 ( 1.307 5.945 0.403) 6.101 14.691 ( 1.793 -4.075 -1.946) 4.859 15.227 ( -0.899 1.332 3.966) 4.279 15.377 ( -0.566 -5.233 2.391) 5.781 16.095 ( -1.261 0.678 8.438) 8.559 16.114 ( -0.173 -0.816 11.888) 11.917 16.616 ( -0.438 6.226 -0.241) 6.246 16.862 ( -0.211 -5.478 -2.294) 5.943 24.529 ( -0.133 0.968 0.299) 1.022 24.585 ( -0.087 -1.488 -0.408) 1.545 24.746 ( -0.246 0.785 -0.270) 0.866 24.754 ( -0.361 0.569 -0.274) 0.727 26.060 ( 0.319 -0.196 0.546) 0.662 26.117 ( -1.783 -2.824 -0.594) 3.392 26.296 ( 0.624 0.929 3.672) 3.839 26.341 ( 0.942 -0.972 4.204) 4.417 26.676 ( -0.527 0.956 2.496) 2.725 26.779 ( 1.103 -4.732 1.100) 4.982 27.683 ( 1.530 7.751 -15.313) 17.231 27.780 ( 1.733 3.320 -9.450) 10.165 28.768 ( -0.058 4.890 2.991) 5.732 28.978 ( 0.472 -5.371 -0.776) 5.447 29.326 ( -0.641 4.588 8.762) 9.911 29.566 ( -1.101 -6.944 2.536) 7.474 ======================= Grid point 62 (33/80) ======================= q-point: ( 0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -3.815 6.793 7.758) 10.994 1.467 ( -7.759 -1.537 6.755) 10.401 1.675 ( 4.877 4.688 8.900) 11.179 1.732 ( 0.565 -0.424 4.212) 4.270 1.918 ( -2.113 3.113 0.761) 3.838 1.935 ( -0.736 0.879 1.702) 2.052 2.065 ( -5.404 6.225 0.086) 8.244 2.148 ( 0.529 6.944 3.471) 7.782 2.241 ( 0.494 10.605 3.144) 11.073 2.297 ( -5.241 3.463 2.975) 6.950 2.406 ( 4.682 4.909 -4.118) 7.935 2.548 ( -0.654 -0.468 -1.615) 1.804 2.622 ( -3.493 5.891 -1.554) 7.023 2.693 ( -0.504 5.377 2.692) 6.034 2.754 ( -2.782 -4.378 2.603) 5.804 2.831 ( -2.118 -7.938 2.392) 8.557 3.011 ( 5.255 -1.897 -3.248) 6.463 3.039 ( 1.875 -0.593 -3.954) 4.416 3.138 ( -0.664 -0.301 -2.830) 2.922 3.186 ( 1.767 -2.644 -4.417) 5.443 3.263 ( -0.694 3.120 -0.697) 3.271 3.346 ( 0.889 5.169 1.128) 5.365 3.420 ( -2.317 0.246 -0.836) 2.475 3.444 ( 1.246 0.301 -2.438) 2.754 3.622 ( 4.708 3.828 -0.862) 6.129 3.670 ( 0.143 7.896 -0.194) 7.900 3.835 ( 2.339 -2.697 -4.198) 5.511 3.885 ( 0.142 1.487 -1.276) 1.965 3.977 ( 6.205 6.698 4.001) 9.969 4.018 ( 0.712 1.674 1.334) 2.256 4.146 ( -0.055 0.161 0.094) 0.194 4.198 ( -0.650 -1.804 3.426) 3.926 4.559 ( 1.197 14.210 -3.629) 14.715 4.651 ( -1.768 5.543 -2.953) 6.525 4.843 ( -1.725 16.693 3.705) 17.186 5.018 ( 0.616 -2.317 3.122) 3.936 5.088 ( -3.949 -5.035 4.162) 7.634 5.290 ( -2.406 -3.709 -1.231) 4.589 5.511 ( 2.026 -1.572 -0.175) 2.570 5.555 ( 1.616 4.209 -7.381) 8.649 6.384 ( 0.134 1.998 0.910) 2.200 6.440 ( -0.361 4.262 0.781) 4.348 6.514 ( 1.486 1.074 -5.205) 5.518 6.614 ( -1.302 -4.736 -3.761) 6.186 6.743 ( 2.373 -5.643 1.345) 6.268 6.812 ( -0.514 -3.827 5.248) 6.515 7.003 ( 0.736 1.968 9.479) 9.710 7.231 ( -1.988 -6.334 10.165) 12.141 7.511 ( 0.460 -2.970 -3.309) 4.470 7.568 ( 1.395 -4.910 -3.922) 6.437 7.901 ( 0.831 6.782 -4.105) 7.971 7.988 ( 1.084 2.518 -5.534) 6.176 8.109 ( 0.347 -3.449 -1.625) 3.828 8.212 ( -1.283 -6.054 -3.187) 6.961 8.328 ( 0.195 3.538 6.880) 7.739 8.428 ( -0.621 -1.081 1.801) 2.190 9.101 ( 0.727 1.547 -7.214) 7.414 9.248 ( 0.009 -2.864 -4.270) 5.141 9.353 ( -0.863 0.271 0.121) 0.913 9.535 ( 0.221 -6.277 -3.945) 7.417 10.260 ( 0.372 -0.705 5.177) 5.238 10.352 ( -0.279 -5.741 5.427) 7.905 11.446 ( -0.288 10.687 -4.109) 11.454 11.789 ( 0.323 -6.883 -6.856) 9.720 12.406 ( -0.021 -2.195 3.882) 4.459 12.516 ( -0.519 -8.052 7.377) 10.933 13.277 ( 0.681 5.206 -4.644) 7.009 13.502 ( -0.497 0.978 -3.689) 3.849 13.691 ( -0.065 2.306 -4.108) 4.711 13.832 ( -0.183 4.560 -4.536) 6.434 13.979 ( 0.264 -3.330 -0.636) 3.401 14.072 ( 1.784 -9.086 -4.679) 10.374 14.494 ( 2.034 4.375 0.802) 4.891 14.705 ( -0.357 -4.152 -1.134) 4.319 15.218 ( -0.475 1.543 3.667) 4.007 15.368 ( -0.594 -5.066 2.037) 5.492 16.082 ( -1.395 1.455 8.429) 8.667 16.126 ( -0.690 -1.292 11.261) 11.356 16.604 ( -0.505 6.549 -0.434) 6.583 16.858 ( 0.288 -5.552 -2.341) 6.032 24.527 ( -0.155 1.020 0.176) 1.047 24.580 ( -0.243 -1.320 -0.615) 1.477 24.743 ( 0.031 0.620 -0.117) 0.632 24.747 ( -0.165 0.584 -0.113) 0.618 26.069 ( 0.057 -1.271 -0.105) 1.277 26.089 ( -0.283 -2.099 -0.059) 2.119 26.307 ( -0.276 1.159 3.588) 3.781 26.359 ( -0.127 -1.345 5.026) 5.205 26.670 ( -0.397 1.522 2.590) 3.030 26.804 ( 0.874 -6.112 0.418) 6.188 27.676 ( 0.507 8.917 -14.586) 17.103 27.817 ( 2.928 1.497 -9.850) 10.385 28.775 ( 0.165 4.759 3.504) 5.912 28.987 ( 0.380 -5.518 -0.627) 5.566 29.315 ( -1.683 4.974 7.427) 9.096 29.552 ( -0.533 -6.513 2.663) 7.056 ======================= Grid point 63 (34/80) ======================= q-point: (-0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -4.453 5.669 5.832) 9.273 1.393 ( -0.847 -0.040 4.537) 4.616 1.712 ( -1.467 2.509 8.760) 9.229 1.779 ( 1.950 -1.097 7.058) 7.404 1.854 ( -2.381 1.185 -1.374) 2.994 1.940 ( 1.538 1.122 2.356) 3.029 2.019 ( -1.370 7.662 -1.930) 8.019 2.110 ( -1.540 8.264 0.967) 8.461 2.238 ( 0.309 6.786 2.954) 7.408 2.320 ( 3.015 13.496 4.311) 14.485 2.426 ( -1.400 4.243 -4.587) 6.403 2.530 ( -2.329 7.642 0.722) 8.022 2.569 ( 2.206 -1.718 -0.709) 2.885 2.687 ( -1.736 -0.530 -1.153) 2.150 2.770 ( 2.001 -5.313 2.313) 6.130 2.841 ( 2.625 -6.200 3.052) 7.392 3.022 ( -0.523 2.492 -1.381) 2.897 3.108 ( 3.337 -1.323 0.651) 3.648 3.177 ( 2.852 -2.273 -3.654) 5.162 3.197 ( 0.338 -3.426 -3.648) 5.016 3.247 ( 1.901 1.932 -2.261) 3.530 3.347 ( -2.501 4.197 -2.156) 5.341 3.418 ( 1.607 1.438 1.954) 2.910 3.481 ( 1.833 -1.198 -1.054) 2.430 3.650 ( -0.458 5.643 -1.183) 5.784 3.690 ( -0.224 8.027 1.649) 8.198 3.842 ( -0.301 2.090 -3.558) 4.138 3.882 ( -1.518 0.208 -1.846) 2.398 3.973 ( -3.257 0.250 1.561) 3.621 4.092 ( -1.248 3.870 5.280) 6.664 4.112 ( 0.903 -0.093 0.691) 1.141 4.220 ( 1.612 0.848 1.156) 2.157 4.577 ( 1.033 11.802 -2.798) 12.173 4.618 ( 0.040 9.192 -2.954) 9.655 4.830 ( 0.136 13.773 2.878) 14.071 5.019 ( -3.411 -3.538 4.053) 6.370 5.044 ( 1.404 -4.445 1.844) 5.013 5.225 ( -2.890 -3.472 -2.741) 5.284 5.520 ( -0.844 -1.151 -1.768) 2.273 5.582 ( 1.568 2.964 -4.610) 5.701 6.386 ( -0.125 2.192 0.476) 2.246 6.435 ( -0.201 4.375 0.668) 4.430 6.527 ( 0.750 1.055 -5.729) 5.874 6.581 ( -1.710 -2.772 -1.953) 3.797 6.778 ( 0.924 -6.158 1.741) 6.465 6.817 ( 0.059 -3.848 5.553) 6.756 7.032 ( 0.020 0.677 9.621) 9.645 7.221 ( -0.533 -5.897 9.756) 11.412 7.479 ( -2.513 -1.948 -4.848) 5.798 7.575 ( -0.195 -6.152 -3.760) 7.213 7.900 ( -0.264 6.437 -4.818) 8.045 7.975 ( -1.188 3.733 -4.307) 5.822 8.105 ( -0.455 -3.485 -1.307) 3.749 8.199 ( 0.766 -5.637 -5.971) 8.247 8.344 ( -0.018 2.483 8.690) 9.037 8.421 ( -0.185 -0.539 1.796) 1.884 9.114 ( 1.547 1.176 -6.860) 7.130 9.249 ( 0.814 -2.986 -3.942) 5.011 9.347 ( 0.361 0.880 -0.265) 0.988 9.538 ( 0.671 -6.337 -4.020) 7.534 10.265 ( -0.810 -0.883 5.354) 5.486 10.348 ( -1.019 -5.428 5.330) 7.675 11.445 ( 0.945 10.507 -4.112) 11.322 11.786 ( 0.587 -6.930 -6.986) 9.858 12.409 ( -0.377 -2.138 3.682) 4.274 12.521 ( -0.413 -8.087 7.841) 11.271 13.280 ( 0.342 5.239 -4.610) 6.987 13.494 ( 0.491 2.274 -3.665) 4.341 13.679 ( -0.139 0.540 -4.732) 4.765 13.829 ( 0.220 5.554 -5.255) 7.649 13.953 ( -1.154 -3.872 -0.881) 4.135 14.119 ( 2.277 -9.364 -3.289) 10.183 14.516 ( -0.363 2.594 1.571) 3.055 14.675 ( -1.891 -3.034 -2.208) 4.202 15.222 ( 0.167 1.576 3.946) 4.252 15.364 ( -0.060 -4.697 1.976) 5.096 16.071 ( -1.075 1.931 9.191) 9.453 16.126 ( -1.106 -1.046 10.091) 10.205 16.599 ( 0.182 6.888 -0.605) 6.917 16.864 ( 0.619 -5.784 -2.026) 6.160 24.525 ( 0.003 0.931 0.138) 0.942 24.576 ( -0.017 -1.264 -0.749) 1.469 24.746 ( 0.168 0.560 -0.058) 0.588 24.750 ( 0.372 0.645 -0.044) 0.746 26.056 ( -0.603 -0.347 -0.175) 0.718 26.112 ( 1.791 -2.832 0.189) 3.356 26.296 ( -1.311 1.396 3.163) 3.697 26.353 ( -1.234 -1.490 5.011) 5.372 26.668 ( -0.185 1.689 2.528) 3.046 26.810 ( -0.458 -6.313 0.671) 6.365 27.660 ( 0.530 9.535 -13.853) 16.826 27.845 ( 1.263 -0.212 -10.571) 10.648 28.782 ( -0.213 4.450 3.767) 5.834 28.988 ( -0.186 -5.524 -0.593) 5.559 29.293 ( -1.336 6.362 7.175) 9.682 29.556 ( 0.439 -6.744 2.711) 7.282 ======================= Grid point 64 (35/80) ======================= q-point: (-0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 0.453 10.730 2.369) 10.997 1.400 ( 0.340 4.634 6.370) 7.884 1.715 ( 0.186 -0.046 6.575) 6.577 1.771 ( -2.596 -2.152 8.729) 9.358 1.861 ( 2.041 1.771 -4.680) 5.405 1.944 ( -1.903 1.059 1.613) 2.710 2.013 ( 2.577 6.649 -2.248) 7.477 2.140 ( 4.021 4.417 -2.528) 6.486 2.316 ( 5.197 11.551 0.730) 12.688 2.367 ( 0.329 11.290 1.039) 11.342 2.392 ( -0.248 3.040 -2.207) 3.765 2.502 ( -0.343 6.204 4.339) 7.579 2.610 ( 0.536 -3.468 -0.245) 3.517 2.667 ( 0.478 0.408 3.203) 3.264 2.802 ( 1.548 -0.725 0.749) 1.866 2.898 ( 1.837 -2.700 2.003) 3.831 3.030 ( 0.792 -0.866 0.438) 1.253 3.151 ( -0.965 0.050 -4.466) 4.570 3.171 ( 0.877 -1.459 1.646) 2.368 3.242 ( 0.775 -0.408 -2.201) 2.369 3.297 ( 2.461 -0.114 -0.053) 2.465 3.317 ( -0.267 8.803 1.028) 8.867 3.432 ( 0.430 -2.762 -1.270) 3.071 3.506 ( 1.922 -0.693 -1.924) 2.807 3.618 ( -2.826 4.105 1.053) 5.094 3.666 ( -1.402 6.636 -0.908) 6.843 3.754 ( -7.131 0.663 2.276) 7.515 3.790 ( -6.950 0.092 1.529) 7.117 3.930 ( -1.771 -0.071 0.728) 1.916 4.010 ( -4.102 -2.002 3.819) 5.951 4.156 ( 0.979 3.102 -1.934) 3.785 4.249 ( 1.088 2.592 -1.168) 3.044 4.614 ( 1.915 12.505 -2.801) 12.957 4.636 ( 2.311 8.941 -2.759) 9.638 4.855 ( 1.146 10.839 1.463) 10.997 4.966 ( -1.413 0.067 2.507) 2.879 5.092 ( 3.526 -3.986 0.264) 5.328 5.185 ( -0.348 -2.367 -1.960) 3.093 5.480 ( -2.628 -2.946 -0.417) 3.970 5.591 ( 0.097 1.253 -4.183) 4.367 6.381 ( -0.240 2.168 -0.555) 2.251 6.437 ( 0.315 4.078 0.382) 4.107 6.530 ( -1.320 0.718 -3.167) 3.505 6.537 ( 0.124 -0.424 -4.704) 4.724 6.780 ( -1.178 -5.059 0.684) 5.239 6.829 ( 0.055 -3.684 4.891) 6.123 7.030 ( -1.571 1.323 8.504) 8.748 7.241 ( 0.762 -6.672 9.027) 11.251 7.417 ( -2.084 -0.709 -3.987) 4.554 7.552 ( -1.285 -6.741 -2.837) 7.426 7.875 ( -1.000 6.741 -2.399) 7.225 7.952 ( -0.156 5.803 -4.033) 7.069 8.092 ( -0.367 -3.411 -1.891) 3.917 8.216 ( 1.844 -5.216 -6.815) 8.777 8.348 ( -1.096 1.902 7.957) 8.255 8.428 ( 0.210 -2.299 4.162) 4.759 9.130 ( 0.937 0.968 -6.689) 6.824 9.262 ( 0.831 -2.790 -3.016) 4.192 9.365 ( 1.283 0.303 -0.592) 1.446 9.546 ( 0.656 -6.235 -3.942) 7.405 10.248 ( -1.511 -0.967 5.165) 5.468 10.335 ( -1.000 -5.733 5.383) 7.928 11.465 ( 1.431 10.034 -4.288) 11.005 11.789 ( 0.812 -6.676 -6.908) 9.641 12.404 ( -0.628 -2.002 3.211) 3.836 12.524 ( -0.619 -8.260 7.836) 11.403 13.276 ( 0.090 5.535 -4.611) 7.205 13.510 ( 1.653 -0.084 -4.810) 5.087 13.680 ( 1.281 0.393 -4.643) 4.832 13.795 ( -2.351 4.287 -5.683) 7.497 13.967 ( 2.323 -1.461 0.097) 2.745 14.125 ( -1.610 -7.720 -1.631) 8.053 14.487 ( -2.242 3.318 1.840) 4.407 14.643 ( -0.334 -2.371 -3.890) 4.568 15.233 ( 0.058 1.372 4.382) 4.593 15.371 ( 0.307 -4.678 2.335) 5.238 16.073 ( -0.401 1.603 10.489) 10.618 16.118 ( -1.186 -0.549 9.163) 9.256 16.608 ( 0.648 6.796 -0.532) 6.847 16.872 ( 0.358 -5.871 -1.774) 6.143 24.527 ( 0.140 0.827 0.239) 0.872 24.578 ( 0.330 -1.406 -0.627) 1.575 24.750 ( 0.211 0.735 -0.163) 0.782 24.757 ( 0.313 0.619 -0.169) 0.714 26.051 ( 0.016 0.831 0.333) 0.895 26.149 ( 1.490 -3.956 -0.104) 4.229 26.271 ( -1.289 1.858 2.901) 3.678 26.332 ( -1.422 -1.268 4.264) 4.671 26.671 ( 0.056 1.377 2.365) 2.737 26.791 ( -1.375 -5.253 1.545) 5.645 27.654 ( 1.228 9.147 -13.625) 16.456 27.830 ( -0.718 0.130 -11.131) 11.155 28.778 ( -0.719 4.430 3.347) 5.599 28.980 ( -0.389 -5.353 -0.711) 5.414 29.292 ( -0.084 6.779 8.376) 10.776 29.573 ( 0.505 -7.298 2.663) 7.785 ======================= Grid point 65 (36/80) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 5.213 -8.231 1.243) 9.822 1.442 ( 5.213 8.231 1.243) 9.822 1.697 ( -3.778 -4.783 11.084) 12.650 1.697 ( -3.778 4.783 11.084) 12.650 1.931 ( 1.189 -2.450 -2.305) 3.568 1.931 ( 1.189 2.450 -2.305) 3.568 2.206 ( 3.122 -4.990 -2.083) 6.244 2.206 ( 3.122 4.990 -2.083) 6.244 2.370 ( -3.166 -5.658 0.442) 6.499 2.370 ( -3.166 5.658 0.442) 6.499 2.547 ( 2.244 -4.644 -2.513) 5.738 2.547 ( 2.244 4.644 -2.513) 5.738 2.687 ( 1.806 -3.218 3.896) 5.366 2.687 ( 1.806 3.218 3.896) 5.366 2.878 ( 0.134 -3.142 3.695) 4.852 2.878 ( 0.134 3.142 3.695) 4.852 2.992 ( -4.436 -3.324 -4.847) 7.364 2.992 ( -4.436 3.324 -4.847) 7.364 3.234 ( -1.665 -1.595 -2.178) 3.172 3.234 ( -1.665 1.595 -2.178) 3.172 3.337 ( -0.582 -5.118 -0.190) 5.155 3.337 ( -0.582 5.118 -0.190) 5.155 3.520 ( 4.038 -4.370 3.093) 6.706 3.520 ( 4.038 4.370 3.093) 6.706 3.645 ( -3.562 -2.611 1.763) 4.756 3.645 ( -3.562 2.611 1.763) 4.756 3.713 ( 0.099 -6.656 -0.111) 6.657 3.713 ( 0.099 6.656 -0.111) 6.657 3.857 ( -1.773 -3.418 3.048) 4.911 3.857 ( -1.773 3.418 3.048) 4.911 4.231 ( -0.941 -3.499 -3.170) 4.814 4.231 ( -0.941 3.499 -3.170) 4.814 4.756 ( -0.013 -0.395 -3.804) 3.825 4.756 ( -0.013 0.395 -3.804) 3.825 5.002 ( 1.252 -1.154 2.621) 3.126 5.002 ( 1.252 1.154 2.621) 3.126 5.182 ( 3.706 -2.096 -0.327) 4.270 5.182 ( 3.706 2.096 -0.327) 4.270 5.468 ( -1.500 -8.546 -0.725) 8.706 5.468 ( -1.500 8.546 -0.725) 8.706 6.425 ( -0.138 -2.851 -0.538) 2.905 6.425 ( -0.138 2.851 -0.538) 2.905 6.541 ( 0.433 -3.494 -4.473) 5.692 6.541 ( 0.433 3.494 -4.473) 5.692 6.753 ( -0.897 -4.059 0.008) 4.157 6.753 ( -0.897 4.059 0.008) 4.157 7.113 ( -0.957 -7.698 10.722) 13.234 7.113 ( -0.957 7.698 10.722) 13.234 7.431 ( 0.804 -3.633 -2.512) 4.490 7.431 ( 0.804 3.633 -2.512) 4.490 7.997 ( 0.401 -5.184 -4.279) 6.734 7.997 ( 0.401 5.184 -4.279) 6.734 8.085 ( 0.518 -7.286 -0.112) 7.305 8.085 ( 0.518 7.286 -0.112) 7.305 8.391 ( -0.522 -2.764 4.176) 5.035 8.391 ( -0.522 2.764 4.176) 5.035 9.184 ( 0.236 -4.577 -5.758) 7.359 9.184 ( 0.236 4.577 -5.758) 7.359 9.433 ( 0.149 -4.980 -2.162) 5.431 9.433 ( 0.149 4.980 -2.162) 5.431 10.248 ( -0.460 -2.433 4.821) 5.419 10.248 ( -0.460 2.433 4.821) 5.419 11.655 ( 0.657 -8.043 -5.846) 9.965 11.655 ( 0.657 8.043 -5.846) 9.965 12.406 ( -0.671 -3.158 5.613) 6.475 12.406 ( -0.671 3.158 5.613) 6.475 13.395 ( 0.354 -7.156 -5.596) 9.091 13.395 ( 0.354 7.156 -5.596) 9.091 13.786 ( 1.343 -1.921 -4.254) 4.857 13.786 ( 1.343 1.921 -4.254) 4.857 14.004 ( -0.869 -1.491 -0.491) 1.794 14.004 ( -0.869 1.491 -0.491) 1.794 14.560 ( 0.419 -5.815 -0.560) 5.857 14.560 ( 0.419 5.815 -0.560) 5.857 15.288 ( -0.348 -3.982 2.975) 4.983 15.288 ( -0.348 3.982 2.975) 4.983 16.103 ( -0.680 -0.666 9.665) 9.712 16.103 ( -0.680 0.666 9.665) 9.712 16.747 ( 0.035 -6.686 -1.189) 6.791 16.747 ( 0.035 6.686 -1.189) 6.791 24.554 ( 0.155 -1.484 0.007) 1.493 24.554 ( 0.155 1.484 0.007) 1.493 24.763 ( -0.079 -0.275 -0.367) 0.465 24.763 ( -0.079 0.275 -0.367) 0.465 26.088 ( -0.412 -2.557 0.186) 2.597 26.088 ( -0.412 2.557 0.186) 2.597 26.300 ( 0.209 -1.337 3.568) 3.816 26.300 ( 0.209 1.337 3.568) 3.816 26.708 ( -0.299 -2.339 2.308) 3.299 26.708 ( -0.299 2.339 2.308) 3.299 27.780 ( 1.004 -3.382 -12.858) 13.334 27.780 ( 1.004 3.382 -12.858) 13.334 28.869 ( -0.223 -5.378 1.142) 5.502 28.869 ( -0.223 5.378 1.142) 5.502 29.437 ( -0.295 -6.951 5.417) 8.817 29.437 ( -0.295 6.951 5.417) 8.817 ======================= Grid point 67 (37/80) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -1.883 -9.652 5.677) 11.355 1.525 ( -1.883 9.652 5.677) 11.355 1.633 ( -0.130 -5.346 7.620) 9.310 1.633 ( -0.130 5.346 7.620) 9.310 1.956 ( 1.355 -2.007 -0.010) 2.421 1.956 ( 1.355 2.007 -0.010) 2.421 2.238 ( -1.597 -2.165 0.473) 2.731 2.238 ( -1.597 2.165 0.473) 2.731 2.349 ( 2.826 -6.143 -1.224) 6.872 2.349 ( 2.826 6.143 -1.224) 6.872 2.499 ( -6.515 -5.449 -0.334) 8.500 2.499 ( -6.515 5.449 -0.334) 8.500 2.736 ( 1.145 -2.690 4.402) 5.284 2.736 ( 1.145 2.690 4.402) 5.284 2.839 ( -4.531 -2.119 3.584) 6.154 2.839 ( -4.531 2.119 3.584) 6.154 2.917 ( 1.220 -2.056 -7.442) 7.816 2.917 ( 1.220 2.056 -7.442) 7.816 3.179 ( -2.306 -1.626 -2.528) 3.788 3.179 ( -2.306 1.626 -2.528) 3.788 3.366 ( 1.829 -2.733 1.220) 3.508 3.366 ( 1.829 2.733 1.220) 3.508 3.491 ( -5.626 -3.332 -0.476) 6.556 3.491 ( -5.626 3.332 -0.476) 6.556 3.643 ( 3.727 -7.035 -2.422) 8.322 3.643 ( 3.727 7.035 -2.422) 8.322 3.766 ( 3.035 -6.537 0.540) 7.227 3.766 ( 3.035 6.537 0.540) 7.227 3.925 ( 7.088 -4.555 3.792) 9.240 3.925 ( 7.088 4.555 3.792) 9.240 4.193 ( -2.239 -3.328 -2.363) 4.655 4.193 ( -2.239 3.328 -2.363) 4.655 4.747 ( -0.174 -1.623 -3.975) 4.297 4.747 ( -0.174 1.623 -3.975) 4.297 5.000 ( -1.406 -1.324 4.669) 5.053 5.000 ( -1.406 1.324 4.669) 5.053 5.218 ( -1.109 -6.800 1.313) 7.014 5.218 ( -1.109 6.800 1.313) 7.014 5.481 ( 2.932 -5.585 -2.492) 6.782 5.481 ( 2.932 5.585 -2.492) 6.782 6.425 ( 0.198 -2.573 -0.141) 2.584 6.425 ( 0.198 2.573 -0.141) 2.584 6.548 ( 0.826 -3.368 -4.595) 5.757 6.548 ( 0.826 3.368 -4.595) 5.757 6.732 ( -0.756 -4.527 0.587) 4.627 6.732 ( -0.756 4.527 0.587) 4.627 7.109 ( -1.301 -8.006 11.194) 13.824 7.109 ( -1.301 8.006 11.194) 13.824 7.462 ( 2.258 -2.530 -2.894) 4.458 7.462 ( 2.258 2.530 -2.894) 4.458 8.005 ( 1.031 -4.124 -4.353) 6.084 8.005 ( 1.031 4.124 -4.353) 6.084 8.087 ( -0.284 -6.204 -0.132) 6.212 8.087 ( -0.284 6.204 -0.132) 6.212 8.392 ( -0.000 -3.115 3.581) 4.747 8.392 ( -0.000 3.115 3.581) 4.747 9.173 ( -0.163 -4.811 -6.182) 7.835 9.173 ( -0.163 4.811 -6.182) 7.835 9.425 ( -0.447 -5.062 -1.978) 5.453 9.425 ( -0.447 5.062 -1.978) 5.453 10.258 ( 0.457 -2.534 4.846) 5.487 10.258 ( 0.457 2.534 4.846) 5.487 11.651 ( -0.032 -8.388 -5.788) 10.191 11.651 ( -0.032 8.388 -5.788) 10.191 12.405 ( -0.422 -2.988 5.663) 6.417 12.405 ( -0.422 2.988 5.663) 6.417 13.393 ( 0.441 -7.089 -5.549) 9.013 13.393 ( 0.441 7.089 -5.549) 9.013 13.825 ( 2.928 -5.042 -4.017) 7.081 13.825 ( 2.928 5.042 -4.017) 7.081 13.963 ( -2.655 -3.593 -1.219) 4.631 13.963 ( -2.655 3.593 -1.219) 4.631 14.581 ( 1.326 -6.700 0.066) 6.830 14.581 ( 1.326 6.700 0.066) 6.830 15.282 ( -0.635 -4.160 2.689) 4.994 15.282 ( -0.635 4.160 2.689) 4.994 16.106 ( -0.731 -0.386 9.764) 9.799 16.106 ( -0.731 0.386 9.764) 9.799 16.742 ( -0.269 -6.522 -1.313) 6.659 16.742 ( -0.269 6.522 -1.313) 6.659 24.555 ( -0.046 -1.532 -0.001) 1.533 24.555 ( -0.046 1.532 -0.001) 1.533 24.757 ( -0.328 -0.240 -0.345) 0.533 24.757 ( -0.328 0.240 -0.345) 0.533 26.073 ( -0.821 -1.530 0.021) 1.737 26.073 ( -0.821 1.530 0.021) 1.737 26.319 ( 0.691 -1.266 4.004) 4.255 26.319 ( 0.691 1.266 4.004) 4.255 26.709 ( 0.051 -2.560 2.095) 3.308 26.709 ( 0.051 2.560 2.095) 3.308 27.786 ( 1.675 -2.613 -12.889) 13.258 27.786 ( 1.675 2.613 -12.889) 13.258 28.871 ( 0.163 -5.527 1.199) 5.658 28.871 ( 0.163 5.527 1.199) 5.658 29.435 ( -0.806 -6.326 5.305) 8.295 29.435 ( -0.806 6.326 5.305) 8.295 ======================= Grid point 69 (38/80) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -7.132 -5.289 7.828) 11.837 1.402 ( -7.132 5.289 7.828) 11.837 1.715 ( 3.366 -0.916 5.883) 6.839 1.715 ( 3.366 0.916 5.883) 6.839 1.946 ( -2.973 -0.827 2.081) 3.722 1.946 ( -2.973 0.827 2.081) 3.722 2.181 ( -2.234 -4.520 0.004) 5.042 2.181 ( -2.234 4.520 0.004) 5.042 2.400 ( -1.521 -10.551 1.582) 10.776 2.400 ( -1.521 10.551 1.582) 10.776 2.446 ( 5.101 -4.861 -0.961) 7.111 2.446 ( 5.101 4.861 -0.961) 7.111 2.703 ( -4.390 -2.305 4.399) 6.629 2.703 ( -4.390 2.305 4.399) 6.629 2.749 ( -3.303 -2.356 -0.219) 4.063 2.749 ( -3.303 2.356 -0.219) 4.063 2.995 ( 5.165 -1.612 -3.850) 6.641 2.995 ( 5.165 1.612 -3.850) 6.641 3.148 ( -0.370 -1.225 -3.467) 3.695 3.148 ( -0.370 1.225 -3.467) 3.695 3.343 ( -2.347 -4.129 -2.595) 5.412 3.343 ( -2.347 4.129 -2.595) 5.412 3.444 ( 0.353 -1.487 1.498) 2.140 3.444 ( 0.353 1.487 1.498) 2.140 3.731 ( 4.424 -6.780 -4.238) 9.138 3.731 ( 4.424 6.780 -4.238) 9.138 3.813 ( 1.946 -6.288 -2.391) 7.003 3.813 ( 1.946 6.288 -2.391) 7.003 4.079 ( 5.630 -2.793 4.640) 7.812 4.079 ( 5.630 2.793 4.640) 7.812 4.136 ( -2.883 -3.611 0.828) 4.694 4.136 ( -2.883 3.611 0.828) 4.694 4.731 ( -0.758 -0.576 -2.932) 3.083 4.731 ( -0.758 0.576 -2.932) 3.083 4.982 ( -0.963 -1.813 4.227) 4.700 4.982 ( -0.963 1.813 4.227) 4.700 5.163 ( -3.597 -10.785 1.211) 11.433 5.163 ( -3.597 10.785 1.211) 11.433 5.537 ( 2.220 -3.674 -2.821) 5.137 5.537 ( 2.220 3.674 -2.821) 5.137 6.430 ( 0.189 -2.436 0.362) 2.470 6.430 ( 0.189 2.436 0.362) 2.470 6.556 ( 0.702 -1.690 -4.255) 4.632 6.556 ( 0.702 1.690 -4.255) 4.632 6.730 ( 0.182 -3.500 2.340) 4.214 6.730 ( 0.182 3.500 2.340) 4.214 7.103 ( -1.016 -6.677 11.289) 13.155 7.103 ( -1.016 6.677 11.289) 13.155 7.491 ( 0.837 -1.925 -3.873) 4.405 7.491 ( 0.837 1.925 -3.873) 4.405 8.020 ( 1.098 -3.974 -4.937) 6.432 8.020 ( 1.098 3.974 -4.937) 6.432 8.075 ( -0.781 -4.521 -0.414) 4.607 8.075 ( -0.781 4.521 -0.414) 4.607 8.399 ( -0.030 -2.772 3.204) 4.237 8.399 ( -0.030 2.772 3.204) 4.237 9.163 ( 0.370 -4.644 -6.486) 7.986 9.163 ( 0.370 4.644 -6.486) 7.986 9.414 ( -0.177 -5.415 -1.827) 5.717 9.414 ( -0.177 5.415 -1.827) 5.717 10.275 ( 0.168 -2.293 4.972) 5.478 10.275 ( 0.168 2.293 4.972) 5.478 11.639 ( 0.012 -8.810 -5.876) 10.590 11.639 ( 0.012 8.810 -5.876) 10.590 12.408 ( -0.279 -2.754 5.932) 6.546 12.408 ( -0.279 2.754 5.932) 6.546 13.394 ( 0.557 -6.810 -5.424) 8.724 13.394 ( 0.557 6.810 -5.424) 8.724 13.872 ( 0.809 -10.833 -4.140) 11.625 13.872 ( 0.809 10.833 -4.140) 11.625 13.912 ( -0.460 -3.435 -1.964) 3.983 13.912 ( -0.459 3.435 -1.964) 3.983 14.602 ( 0.392 -6.019 0.718) 6.074 14.602 ( 0.392 6.019 0.718) 6.074 15.275 ( -0.374 -4.128 2.478) 4.829 15.275 ( -0.374 4.128 2.478) 4.829 16.106 ( -0.889 -1.023 9.635) 9.730 16.106 ( -0.889 1.023 9.635) 9.730 16.736 ( -0.053 -6.740 -1.385) 6.882 16.736 ( -0.053 6.740 -1.385) 6.882 24.552 ( -0.174 -1.487 -0.181) 1.508 24.552 ( -0.174 1.487 -0.181) 1.508 24.752 ( -0.086 -0.156 -0.187) 0.258 24.752 ( -0.086 0.156 -0.187) 0.258 26.062 ( -0.133 -0.564 -0.013) 0.580 26.062 ( -0.133 0.564 -0.013) 0.580 26.332 ( -0.218 -1.390 4.309) 4.532 26.332 ( -0.218 1.390 4.309) 4.532 26.715 ( 0.083 -3.242 1.904) 3.761 26.715 ( 0.083 3.242 1.904) 3.761 27.798 ( 1.530 -3.615 -12.903) 13.487 27.798 ( 1.530 3.615 -12.903) 13.487 28.877 ( 0.184 -5.563 1.408) 5.741 28.877 ( 0.184 5.563 1.408) 5.741 29.426 ( -0.819 -6.224 5.020) 8.038 29.426 ( -0.819 6.224 5.020) 8.038 ======================= Grid point 71 (39/80) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -1.466 -6.247 5.168) 8.239 1.321 ( -1.466 6.247 5.168) 8.239 1.746 ( -0.953 -1.726 6.455) 6.749 1.746 ( -0.953 1.726 6.455) 6.749 1.904 ( -0.548 -2.864 2.073) 3.577 1.904 ( -0.548 2.864 2.073) 3.577 2.155 ( -0.683 -4.558 -2.113) 5.070 2.155 ( -0.683 4.558 -2.113) 5.070 2.407 ( 1.436 -11.270 1.763) 11.497 2.407 ( 1.436 11.270 1.763) 11.497 2.521 ( 0.971 -7.358 1.007) 7.490 2.521 ( 0.971 7.358 1.007) 7.490 2.613 ( -2.701 -8.686 1.450) 9.211 2.613 ( -2.701 8.686 1.450) 9.211 2.748 ( 2.679 -5.304 1.249) 6.072 2.748 ( 2.679 5.304 1.249) 6.072 3.077 ( 2.245 -2.383 -0.658) 3.340 3.077 ( 2.245 2.383 -0.658) 3.340 3.144 ( 1.396 -0.757 -2.842) 3.255 3.144 ( 1.396 0.757 -2.842) 3.255 3.327 ( 0.989 -4.564 -3.518) 5.847 3.327 ( 0.989 4.564 -3.518) 5.847 3.452 ( 0.002 -2.220 0.124) 2.223 3.452 ( 0.002 2.220 0.124) 2.223 3.766 ( -0.645 -4.093 -2.272) 4.725 3.766 ( -0.645 4.093 -2.272) 4.725 3.850 ( 1.354 -2.442 -3.457) 4.443 3.850 ( 1.354 2.442 -3.457) 4.443 4.034 ( -6.270 -5.246 4.703) 9.431 4.034 ( -6.270 5.246 4.703) 9.431 4.190 ( 3.384 -3.709 2.032) 5.416 4.190 ( 3.384 3.709 2.032) 5.416 4.723 ( 0.833 -2.177 -1.806) 2.949 4.723 ( 0.833 2.177 -1.806) 2.949 4.961 ( -1.819 -1.870 2.505) 3.617 4.961 ( -1.819 1.870 2.505) 3.617 5.112 ( -0.856 -9.480 0.049) 9.519 5.112 ( -0.856 9.480 0.049) 9.519 5.551 ( -0.419 -4.165 -2.281) 4.767 5.551 ( -0.419 4.165 -2.281) 4.767 6.432 ( -0.014 -2.218 0.098) 2.220 6.432 ( -0.014 2.218 0.098) 2.220 6.559 ( 0.165 -0.564 -3.573) 3.621 6.559 ( 0.165 0.564 -3.573) 3.621 6.743 ( 0.570 -2.883 2.777) 4.043 6.743 ( 0.570 2.883 2.777) 4.043 7.107 ( -0.606 -5.530 11.014) 12.340 7.107 ( -0.606 5.530 11.014) 12.340 7.479 ( -1.209 -2.798 -4.359) 5.319 7.479 ( -1.209 2.798 -4.359) 5.319 8.023 ( -0.108 -5.303 -5.512) 7.649 8.023 ( -0.108 5.303 -5.512) 7.649 8.063 ( -0.041 -5.540 -0.354) 5.551 8.063 ( -0.041 5.540 -0.354) 5.551 8.400 ( -0.384 -2.236 3.657) 4.304 8.400 ( -0.384 2.236 3.657) 4.304 9.168 ( 1.132 -4.234 -6.220) 7.609 9.168 ( 1.132 4.234 -6.220) 7.609 9.414 ( 0.551 -5.561 -1.953) 5.920 9.414 ( 0.551 5.561 -1.953) 5.920 10.276 ( -0.923 -2.024 5.030) 5.499 10.276 ( -0.923 2.024 5.030) 5.499 11.636 ( 0.732 -8.746 -5.987) 10.624 11.636 ( 0.732 8.746 -5.987) 10.624 12.412 ( -0.424 -2.779 6.055) 6.676 12.412 ( -0.424 2.779 6.055) 6.676 13.396 ( 0.528 -6.687 -5.373) 8.595 13.396 ( 0.528 6.687 -5.373) 8.595 13.831 ( -2.166 -8.223 -4.395) 9.572 13.831 ( -2.166 8.223 -4.395) 9.572 13.951 ( 2.708 -6.529 -1.845) 7.305 13.951 ( 2.708 6.529 -1.845) 7.305 14.595 ( -1.041 -4.725 0.545) 4.869 14.595 ( -1.041 4.725 0.545) 4.869 15.277 ( 0.097 -3.908 2.646) 4.721 15.277 ( 0.097 3.908 2.646) 4.721 16.103 ( -0.943 -1.360 9.454) 9.598 16.103 ( -0.943 1.360 9.454) 9.598 16.737 ( 0.386 -7.022 -1.304) 7.153 16.737 ( 0.386 7.022 -1.304) 7.153 24.549 ( -0.051 -1.409 -0.277) 1.436 24.549 ( -0.051 1.409 -0.277) 1.436 24.754 ( 0.300 -0.178 -0.118) 0.368 24.754 ( 0.300 0.178 -0.118) 0.368 26.068 ( 0.640 -1.506 0.104) 1.640 26.068 ( 0.640 1.506 0.104) 1.640 26.324 ( -1.183 -1.474 4.097) 4.512 26.324 ( -1.183 1.474 4.097) 4.512 26.717 ( -0.252 -3.413 1.992) 3.960 26.717 ( -0.252 3.413 1.992) 3.960 27.800 ( 0.783 -4.680 -12.883) 13.729 27.800 ( 0.783 4.680 -12.883) 13.729 28.880 ( -0.214 -5.420 1.479) 5.622 28.880 ( -0.214 5.420 1.479) 5.622 29.423 ( -0.296 -6.809 4.955) 8.427 29.423 ( -0.296 6.809 4.955) 8.427 ======================= Grid point 73 (40/80) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 3.186 -7.862 1.980) 8.711 1.351 ( 3.186 7.862 1.980) 8.711 1.732 ( -1.690 -2.353 9.084) 9.535 1.732 ( -1.690 2.353 9.084) 9.535 1.910 ( 0.853 -2.742 -0.821) 2.986 1.910 ( 0.853 2.742 -0.821) 2.986 2.157 ( 1.666 -4.239 -2.573) 5.231 2.157 ( 1.666 4.239 -2.573) 5.231 2.423 ( -1.012 -5.438 -2.076) 5.908 2.423 ( -1.012 5.438 -2.076) 5.908 2.513 ( 0.251 -6.920 0.146) 6.926 2.513 ( 0.251 6.920 0.146) 6.926 2.629 ( 2.543 -5.935 4.983) 8.156 2.629 ( 2.543 5.935 4.983) 8.156 2.826 ( 3.774 -4.559 2.357) 6.371 2.826 ( 3.774 4.559 2.357) 6.371 3.062 ( -2.162 -4.412 -2.560) 5.540 3.062 ( -2.162 4.412 -2.560) 5.540 3.215 ( 3.809 -1.865 0.072) 4.241 3.215 ( 3.809 1.865 0.072) 4.241 3.347 ( 0.865 -3.938 -2.827) 4.924 3.347 ( 0.865 3.938 -2.827) 4.924 3.454 ( 0.942 -4.218 -0.211) 4.327 3.454 ( 0.942 4.218 -0.211) 4.327 3.723 ( -2.989 -2.497 0.092) 3.896 3.723 ( -2.989 2.497 0.092) 3.896 3.786 ( -6.667 -2.640 -0.233) 7.174 3.786 ( -6.667 2.640 -0.233) 7.174 3.927 ( -4.411 -3.431 5.228) 7.653 3.927 ( -4.411 3.431 5.228) 7.653 4.237 ( 1.047 -3.338 -1.437) 3.782 4.237 ( 1.047 3.338 -1.437) 3.782 4.750 ( 1.417 -1.448 -2.981) 3.604 4.750 ( 1.417 1.448 -2.981) 3.604 4.952 ( 1.553 -1.125 1.920) 2.714 4.952 ( 1.553 1.125 1.920) 2.714 5.123 ( 1.740 -4.851 -0.524) 5.180 5.123 ( 1.740 4.851 -0.524) 5.180 5.517 ( -2.409 -6.365 -1.320) 6.932 5.517 ( -2.409 6.365 -1.320) 6.932 6.429 ( -0.184 -2.567 -0.385) 2.602 6.429 ( -0.184 2.567 -0.385) 2.602 6.549 ( -0.372 -1.773 -3.855) 4.259 6.549 ( -0.372 1.773 -3.855) 4.259 6.758 ( 0.292 -2.997 1.489) 3.360 6.758 ( 0.292 2.997 1.489) 3.360 7.112 ( -0.750 -6.119 10.544) 12.214 7.112 ( -0.750 6.119 10.544) 12.214 7.442 ( -1.242 -3.816 -3.487) 5.316 7.442 ( -1.242 3.816 -3.487) 5.316 8.005 ( -0.439 -5.718 -4.566) 7.331 8.005 ( -0.439 5.718 -4.566) 7.331 8.071 ( 0.750 -6.900 -0.709) 6.977 8.071 ( 0.750 6.900 -0.709) 6.977 8.396 ( -0.662 -2.188 4.284) 4.856 8.396 ( -0.662 2.188 4.284) 4.856 9.181 ( 0.996 -4.222 -5.770) 7.219 9.181 ( 0.996 4.222 -5.770) 7.219 9.426 ( 0.778 -5.323 -2.174) 5.802 9.426 ( 0.778 5.323 -2.174) 5.802 10.259 ( -1.322 -2.120 4.938) 5.534 10.259 ( -1.322 2.120 4.938) 5.534 11.646 ( 1.122 -8.277 -5.969) 10.266 11.646 ( 1.122 8.277 -5.969) 10.266 12.411 ( -0.666 -3.029 5.861) 6.631 12.411 ( -0.666 3.029 5.861) 6.631 13.396 ( 0.438 -6.911 -5.470) 8.825 13.396 ( 0.438 6.911 -5.470) 8.825 13.790 ( -0.894 -5.185 -4.613) 6.998 13.790 ( -0.894 5.185 -4.613) 6.998 13.996 ( 1.601 -4.836 -0.800) 5.156 13.996 ( 1.601 4.836 -0.800) 5.156 14.570 ( -1.140 -4.603 -0.247) 4.748 14.570 ( -1.140 4.603 -0.247) 4.748 15.285 ( 0.098 -3.824 2.958) 4.835 15.285 ( 0.098 3.824 2.958) 4.835 16.101 ( -0.814 -1.224 9.470) 9.584 16.101 ( -0.814 1.224 9.470) 9.584 16.744 ( 0.439 -6.990 -1.184) 7.103 16.744 ( 0.439 6.990 -1.184) 7.103 24.550 ( 0.167 -1.409 -0.156) 1.427 24.550 ( 0.167 1.409 -0.156) 1.427 24.760 ( 0.299 -0.263 -0.233) 0.461 24.760 ( 0.299 0.263 -0.233) 0.461 26.084 ( 0.681 -2.582 0.237) 2.681 26.084 ( 0.681 2.582 0.237) 2.681 26.305 ( -1.157 -1.563 3.637) 4.124 26.305 ( -1.157 1.563 3.637) 4.124 26.712 ( -0.473 -2.936 2.234) 3.719 26.712 ( -0.473 2.936 2.234) 3.719 27.788 ( 0.451 -4.552 -12.856) 13.646 27.788 ( 0.451 4.552 -12.856) 13.646 28.875 ( -0.463 -5.306 1.308) 5.484 28.875 ( -0.463 5.306 1.308) 5.484 29.430 ( 0.026 -7.235 5.207) 8.914 29.430 ( 0.026 7.235 5.207) 8.914 ======================= Grid point 90 (41/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -3.715 0.000 24.610) 24.888 0.958 ( -0.020 0.000 20.660) 20.660 1.502 ( 1.936 0.000 -6.510) 6.791 1.687 ( 3.831 0.000 -11.495) 12.116 1.714 ( 3.199 0.000 24.366) 24.575 1.760 ( 9.938 0.000 6.585) 11.922 1.867 ( 3.723 0.000 1.698) 4.092 1.988 ( -1.419 0.000 -3.772) 4.030 1.998 ( -1.682 0.000 4.395) 4.706 2.150 ( 2.047 0.000 -6.308) 6.632 2.152 ( -2.093 0.000 4.173) 4.668 2.493 ( -2.469 0.000 0.006) 2.469 2.503 ( -4.583 0.000 17.537) 18.126 2.663 ( 1.130 0.000 2.556) 2.794 2.754 ( -5.811 0.000 -1.878) 6.107 2.824 ( -2.444 0.000 -10.969) 11.238 2.846 ( 0.557 0.000 -2.465) 2.527 3.044 ( -4.861 0.000 -4.988) 6.965 3.071 ( 4.789 0.000 -4.309) 6.443 3.158 ( 0.475 0.000 -5.154) 5.175 3.221 ( 0.521 0.000 7.162) 7.181 3.258 ( 0.470 0.000 -1.831) 1.891 3.405 ( -4.715 0.000 -0.107) 4.716 3.483 ( 0.495 0.000 2.392) 2.443 3.500 ( -3.828 0.000 -1.390) 4.072 3.630 ( 3.574 0.000 1.723) 3.968 3.698 ( -0.075 0.000 1.494) 1.496 3.742 ( -0.439 0.000 -0.091) 0.448 3.789 ( -8.994 0.000 0.547) 9.011 3.796 ( 1.017 0.000 0.295) 1.059 4.023 ( 2.354 0.000 4.125) 4.750 4.078 ( 0.163 0.000 2.585) 2.590 4.088 ( 5.419 0.000 1.323) 5.578 4.246 ( 0.494 0.000 -1.247) 1.341 4.630 ( 1.526 0.000 -10.860) 10.967 4.744 ( 1.781 0.000 -23.315) 23.383 4.919 ( -6.711 0.000 3.990) 7.808 5.158 ( 1.451 0.000 -7.583) 7.721 5.544 ( 1.141 0.000 9.635) 9.702 5.671 ( -2.298 0.000 4.430) 4.991 6.072 ( -0.464 0.000 4.825) 4.847 6.296 ( 0.907 0.000 -6.577) 6.639 6.497 ( -1.912 0.000 1.428) 2.387 6.649 ( 10.699 0.000 -5.033) 11.823 7.086 ( -1.788 0.000 0.309) 1.815 7.144 ( -0.727 0.000 0.464) 0.862 7.243 ( -1.530 0.000 8.602) 8.737 7.257 ( -1.114 0.000 9.617) 9.681 7.282 ( 1.328 0.000 1.123) 1.739 7.501 ( -2.453 0.000 -5.460) 5.986 7.740 ( 1.168 0.000 -1.679) 2.045 7.777 ( 2.503 0.000 -2.043) 3.231 7.870 ( 0.761 0.000 -6.820) 6.862 7.990 ( -0.162 0.000 -6.595) 6.597 8.540 ( -1.226 0.000 11.077) 11.144 8.910 ( -0.590 0.000 -6.811) 6.836 9.228 ( 1.024 0.000 -4.258) 4.379 9.270 ( -0.841 0.000 -7.240) 7.289 9.493 ( 2.105 0.000 9.259) 9.495 9.845 ( -2.074 0.000 -7.428) 7.712 10.576 ( -0.375 0.000 9.800) 9.808 10.896 ( 1.201 0.000 -6.572) 6.681 11.017 ( -1.425 0.000 19.879) 19.930 11.867 ( 1.547 0.000 -19.420) 19.482 12.626 ( -1.344 0.000 4.968) 5.146 12.843 ( 1.040 0.000 -3.827) 3.966 13.049 ( 0.135 0.000 1.870) 1.875 13.077 ( -0.344 0.000 3.826) 3.842 13.548 ( -0.429 0.000 7.125) 7.138 14.048 ( 1.711 0.000 -3.000) 3.454 14.099 ( -0.000 0.000 -9.887) 9.887 14.172 ( -6.372 0.000 -2.570) 6.871 14.412 ( -2.629 0.000 -0.518) 2.680 14.419 ( 5.352 0.000 -0.298) 5.360 15.405 ( -0.825 0.000 7.430) 7.476 15.579 ( 1.113 0.000 -0.974) 1.479 16.258 ( -3.177 0.000 8.816) 9.371 16.398 ( 1.757 0.000 0.713) 1.896 16.693 ( 4.639 0.000 2.153) 5.114 16.910 ( -0.431 0.000 -6.650) 6.664 24.559 ( -0.048 0.000 0.219) 0.225 24.581 ( 0.290 0.000 -0.917) 0.962 24.695 ( -0.308 0.000 0.892) 0.944 24.718 ( 0.162 0.000 -0.259) 0.305 26.147 ( 5.410 0.000 1.871) 5.724 26.207 ( 0.271 0.000 0.020) 0.272 26.260 ( -1.138 0.000 2.452) 2.703 26.391 ( -2.192 0.000 -1.783) 2.826 26.801 ( 0.097 0.000 4.099) 4.100 26.901 ( -0.127 0.000 4.433) 4.435 27.140 ( 0.623 0.000 -7.082) 7.109 27.202 ( -4.852 0.000 -6.103) 7.797 28.755 ( -2.304 0.000 7.949) 8.276 29.059 ( 0.508 0.000 -6.706) 6.725 29.714 ( 2.567 0.000 4.676) 5.334 29.826 ( 0.391 0.000 -0.466) 0.608 ======================= Grid point 91 (42/80) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 3.389 0.000 17.916) 18.234 1.067 ( 6.974 0.000 17.764) 19.084 1.531 ( 2.479 0.000 -10.215) 10.511 1.658 ( -6.263 0.000 -2.765) 6.846 1.767 ( -1.658 0.000 -1.114) 1.997 1.914 ( -1.575 0.000 -0.879) 1.803 1.924 ( 0.532 0.000 2.555) 2.610 1.981 ( 3.744 0.000 3.610) 5.201 2.045 ( -6.131 0.000 -19.449) 20.393 2.055 ( 4.795 0.000 9.528) 10.667 2.154 ( 0.354 0.000 13.418) 13.422 2.427 ( -4.600 0.000 3.668) 5.884 2.478 ( -2.148 0.000 21.923) 22.028 2.578 ( -2.729 0.000 2.416) 3.645 2.663 ( 0.689 0.000 0.724) 1.000 2.872 ( 4.433 0.000 -7.593) 8.792 2.907 ( 3.772 0.000 -6.496) 7.512 3.018 ( 4.729 0.000 -4.290) 6.385 3.151 ( -2.216 0.000 2.202) 3.124 3.160 ( 1.007 0.000 -5.438) 5.530 3.271 ( 2.097 0.000 -2.949) 3.618 3.292 ( 2.479 0.000 -0.797) 2.604 3.341 ( 2.333 0.000 5.764) 6.218 3.420 ( -3.304 0.000 0.825) 3.405 3.497 ( -2.270 0.000 2.776) 3.586 3.541 ( -11.891 0.000 5.980) 13.310 3.684 ( 1.048 0.000 0.089) 1.051 3.698 ( -0.011 0.000 0.856) 0.856 3.737 ( -0.386 0.000 2.143) 2.177 3.821 ( 1.488 0.000 -1.981) 2.477 4.035 ( -0.610 0.000 0.113) 0.620 4.099 ( 1.151 0.000 1.643) 2.007 4.263 ( 8.799 0.000 -1.197) 8.880 4.264 ( 1.517 0.000 -1.392) 2.059 4.619 ( -0.654 0.000 -9.140) 9.164 4.729 ( 0.859 0.000 -23.312) 23.327 4.918 ( 4.188 0.000 3.982) 5.779 5.193 ( 2.723 0.000 -5.233) 5.899 5.569 ( -0.179 0.000 10.581) 10.583 5.621 ( -2.600 0.000 2.419) 3.551 6.061 ( -1.231 0.000 5.316) 5.456 6.304 ( 0.782 0.000 -5.793) 5.846 6.491 ( 1.265 0.000 0.702) 1.447 6.977 ( 18.683 0.000 -12.389) 22.418 7.052 ( -1.817 0.000 -1.979) 2.687 7.125 ( -0.931 0.000 0.028) 0.931 7.231 ( -1.144 0.000 9.656) 9.724 7.255 ( -0.739 0.000 8.967) 8.998 7.302 ( 0.307 0.000 1.383) 1.417 7.472 ( 0.385 0.000 -4.642) 4.658 7.766 ( 1.022 0.000 0.064) 1.024 7.814 ( 2.030 0.000 -8.272) 8.517 7.878 ( 0.469 0.000 -1.285) 1.368 7.988 ( 1.388 0.000 -8.425) 8.538 8.564 ( 1.901 0.000 11.900) 12.051 8.901 ( 0.837 0.000 -5.200) 5.267 9.167 ( -7.371 0.000 -0.314) 7.378 9.237 ( -0.985 0.000 -8.041) 8.101 9.506 ( -2.220 0.000 8.314) 8.605 9.672 ( -9.515 0.000 -5.062) 10.778 10.569 ( -1.760 0.000 9.137) 9.305 10.894 ( 0.003 0.000 -7.208) 7.208 11.016 ( -1.942 0.000 19.748) 19.843 11.863 ( 1.409 0.000 -19.516) 19.567 12.625 ( 0.232 0.000 5.123) 5.128 12.864 ( 1.328 0.000 -3.432) 3.680 13.062 ( 0.700 0.000 1.437) 1.598 13.076 ( -0.422 0.000 3.810) 3.833 13.591 ( 2.276 0.000 4.644) 5.172 14.052 ( 0.048 0.000 -11.371) 11.371 14.119 ( 0.835 0.000 -1.364) 1.599 14.147 ( 4.989 0.000 2.685) 5.666 14.346 ( -3.192 0.000 -3.359) 4.634 14.562 ( 7.927 0.000 -2.396) 8.281 15.396 ( -1.207 0.000 7.172) 7.273 15.590 ( 0.040 0.000 -1.723) 1.723 16.200 ( -3.666 0.000 8.073) 8.866 16.412 ( -0.733 0.000 0.722) 1.029 16.673 ( -5.597 0.000 4.537) 7.205 16.888 ( -0.172 0.000 -7.723) 7.725 24.551 ( -0.594 0.000 0.231) 0.638 24.581 ( -0.115 0.000 -1.076) 1.082 24.692 ( -0.090 0.000 0.979) 0.983 24.722 ( 0.298 0.000 -0.267) 0.400 26.216 ( 0.443 0.000 -1.463) 1.528 26.260 ( 0.737 0.000 4.183) 4.248 26.311 ( 7.363 0.000 -3.033) 7.963 26.341 ( -1.628 0.000 -1.924) 2.520 26.802 ( -0.808 0.000 5.108) 5.172 26.912 ( 0.255 0.000 5.049) 5.056 27.140 ( 0.577 0.000 -6.858) 6.883 27.215 ( 6.790 0.000 -6.418) 9.343 28.757 ( 1.006 0.000 9.087) 9.142 29.073 ( 1.803 0.000 -5.937) 6.205 29.648 ( -8.300 0.000 5.301) 9.848 29.806 ( -1.906 0.000 -1.724) 2.570 ======================= Grid point 92 (43/80) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 5.456 0.000 7.219) 9.049 1.267 ( 7.879 0.000 13.047) 15.242 1.460 ( -10.666 0.000 2.823) 11.034 1.547 ( -0.136 0.000 -5.182) 5.184 1.687 ( -3.671 0.000 -4.045) 5.463 1.729 ( -10.390 0.000 -11.280) 15.336 1.896 ( -2.806 0.000 2.600) 3.825 1.901 ( -3.172 0.000 -4.382) 5.409 2.071 ( -8.602 0.000 9.467) 12.791 2.116 ( 2.346 0.000 -2.216) 3.227 2.186 ( 2.433 0.000 2.512) 3.497 2.346 ( -1.301 0.000 2.271) 2.617 2.416 ( 1.545 0.000 11.062) 11.169 2.677 ( -0.233 0.000 -0.420) 0.481 2.842 ( 17.289 0.000 18.746) 25.501 2.964 ( 6.437 0.000 -4.796) 8.027 2.972 ( 0.147 0.000 -5.641) 5.643 3.019 ( -5.390 0.000 5.891) 7.985 3.111 ( 1.454 0.000 -2.699) 3.066 3.236 ( 7.041 0.000 -4.310) 8.255 3.247 ( -3.623 0.000 5.330) 6.445 3.309 ( -0.126 0.000 -3.351) 3.354 3.350 ( -4.695 0.000 4.800) 6.715 3.388 ( -0.218 0.000 0.830) 0.858 3.430 ( -2.385 0.000 1.973) 3.096 3.494 ( 5.138 0.000 1.168) 5.269 3.667 ( -2.381 0.000 -0.289) 2.398 3.704 ( 0.200 0.000 1.811) 1.822 3.738 ( 0.452 0.000 -0.942) 1.045 3.839 ( 0.406 0.000 -2.728) 2.758 4.017 ( -0.860 0.000 0.133) 0.870 4.109 ( -0.402 0.000 -1.107) 1.178 4.298 ( 1.298 0.000 1.007) 1.642 4.360 ( 0.083 0.000 -5.690) 5.690 4.598 ( 0.547 0.000 -6.546) 6.569 4.708 ( 1.193 0.000 -21.698) 21.731 5.032 ( 5.552 0.000 1.440) 5.736 5.226 ( 0.667 0.000 -4.172) 4.225 5.571 ( -1.559 0.000 9.645) 9.770 5.600 ( 0.517 0.000 3.110) 3.153 6.048 ( -0.786 0.000 5.907) 5.960 6.306 ( 0.409 0.000 -5.923) 5.937 6.537 ( 2.294 0.000 2.902) 3.699 6.989 ( -3.902 0.000 -4.664) 6.081 7.115 ( 0.038 0.000 0.369) 0.371 7.230 ( -0.632 0.000 9.396) 9.417 7.235 ( 2.880 0.000 6.887) 7.465 7.269 ( 4.794 0.000 -15.559) 16.281 7.299 ( -0.801 0.000 2.326) 2.460 7.503 ( 3.627 0.000 -2.724) 4.536 7.769 ( -0.674 0.000 0.386) 0.777 7.836 ( 1.471 0.000 -10.821) 10.920 7.868 ( -1.589 0.000 -0.593) 1.696 8.014 ( 2.098 0.000 -8.663) 8.913 8.670 ( 6.210 0.000 12.071) 13.575 8.929 ( 2.431 0.000 -2.864) 3.757 8.944 ( -12.522 0.000 8.681) 15.237 9.208 ( -0.016 0.000 -8.917) 8.917 9.449 ( -3.903 0.000 4.665) 6.082 9.550 ( -1.438 0.000 -6.249) 6.413 10.547 ( -1.655 0.000 8.490) 8.650 10.880 ( 0.060 0.000 -7.935) 7.935 11.009 ( -2.070 0.000 19.914) 20.021 11.860 ( 1.604 0.000 -19.529) 19.595 12.641 ( 0.298 0.000 5.569) 5.577 12.875 ( 0.180 0.000 -3.301) 3.306 13.074 ( -0.024 0.000 1.590) 1.591 13.074 ( -0.302 0.000 3.387) 3.400 13.627 ( 0.509 0.000 4.162) 4.193 14.031 ( -0.189 0.000 -8.879) 8.881 14.161 ( 2.902 0.000 -2.835) 4.057 14.266 ( 0.834 0.000 -3.044) 3.156 14.288 ( 2.742 0.000 2.610) 3.785 14.698 ( 5.150 0.000 -8.137) 9.630 15.386 ( -0.830 0.000 6.959) 7.008 15.571 ( -1.407 0.000 -2.520) 2.886 16.154 ( -1.559 0.000 8.850) 8.986 16.377 ( -2.194 0.000 -0.712) 2.307 16.551 ( -6.423 0.000 10.091) 11.961 16.885 ( 1.210 0.000 -7.839) 7.932 24.542 ( -0.254 0.000 0.332) 0.418 24.574 ( -0.225 0.000 -1.220) 1.241 24.694 ( 0.135 0.000 1.068) 1.076 24.726 ( 0.075 0.000 -0.407) 0.414 26.218 ( -0.193 0.000 1.291) 1.306 26.281 ( -2.954 0.000 -0.422) 2.984 26.292 ( 1.322 0.000 2.375) 2.718 26.422 ( 3.085 0.000 -4.159) 5.178 26.793 ( -0.792 0.000 5.564) 5.620 26.922 ( -0.292 0.000 5.842) 5.850 27.140 ( 0.545 0.000 -6.791) 6.812 27.382 ( 9.123 0.000 -14.885) 17.458 28.822 ( 3.380 0.000 9.822) 10.387 29.100 ( 1.406 0.000 -4.981) 5.176 29.463 ( -9.577 0.000 9.949) 13.810 29.761 ( -1.416 0.000 -3.631) 3.897 ======================= Grid point 93 (44/80) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -2.627 0.000 8.075) 8.491 1.183 ( -11.910 0.000 13.444) 17.960 1.452 ( 3.218 0.000 -5.246) 6.155 1.514 ( -2.619 0.000 0.089) 2.620 1.610 ( 0.934 0.000 -5.509) 5.588 1.663 ( 2.119 0.000 1.322) 2.498 1.852 ( -10.412 0.000 14.633) 17.959 1.854 ( 0.977 0.000 0.669) 1.184 1.877 ( 1.556 0.000 -1.421) 2.108 2.110 ( -1.499 0.000 3.535) 3.839 2.242 ( 0.453 0.000 4.808) 4.830 2.389 ( 4.470 0.000 -5.574) 7.144 2.471 ( 0.321 0.000 8.976) 8.982 2.661 ( -1.079 0.000 -0.240) 1.106 2.853 ( -3.727 0.000 -0.172) 3.731 3.037 ( 1.383 0.000 -0.678) 1.540 3.063 ( 1.046 0.000 -4.824) 4.936 3.126 ( 2.393 0.000 -1.919) 3.067 3.154 ( -4.541 0.000 1.673) 4.839 3.239 ( -2.366 0.000 -3.086) 3.889 3.250 ( 14.461 0.000 17.467) 22.676 3.267 ( -5.017 0.000 3.052) 5.872 3.330 ( -2.396 0.000 -4.819) 5.382 3.412 ( 2.233 0.000 0.804) 2.373 3.438 ( 5.788 0.000 -0.778) 5.840 3.606 ( 4.220 0.000 0.840) 4.303 3.606 ( -2.786 0.000 -0.127) 2.789 3.721 ( 1.589 0.000 1.914) 2.488 3.754 ( 1.446 0.000 -3.917) 4.175 3.819 ( -1.904 0.000 -2.708) 3.310 4.010 ( 0.315 0.000 0.075) 0.324 4.092 ( -0.727 0.000 -1.230) 1.428 4.259 ( -8.037 0.000 -3.722) 8.857 4.298 ( -1.678 0.000 2.169) 2.742 4.609 ( 1.103 0.000 -7.694) 7.772 4.711 ( 2.659 0.000 -20.663) 20.834 5.131 ( 3.411 0.000 0.525) 3.451 5.204 ( -1.449 0.000 -6.305) 6.470 5.532 ( -3.488 0.000 7.453) 8.229 5.643 ( 2.233 0.000 5.838) 6.250 6.050 ( -0.129 0.000 6.369) 6.371 6.300 ( 0.176 0.000 -6.785) 6.788 6.571 ( -0.106 0.000 5.156) 5.157 6.864 ( -7.544 0.000 -9.772) 12.345 7.127 ( 0.897 0.000 0.774) 1.184 7.225 ( -3.013 0.000 4.622) 5.517 7.237 ( -0.112 0.000 6.946) 6.947 7.282 ( -1.256 0.000 3.970) 4.164 7.291 ( -0.819 0.000 -7.922) 7.964 7.594 ( 4.477 0.000 -5.215) 6.873 7.749 ( -1.016 0.000 -1.076) 1.480 7.772 ( -5.876 0.000 1.394) 6.039 7.861 ( 1.522 0.000 -11.523) 11.623 8.027 ( 0.372 0.000 -7.138) 7.148 8.675 ( -7.728 0.000 10.010) 12.646 8.938 ( 10.277 0.000 10.909) 14.987 8.963 ( 0.609 0.000 -3.458) 3.512 9.231 ( 3.978 0.000 -7.178) 8.207 9.387 ( -2.217 0.000 2.362) 3.240 9.574 ( 4.832 0.000 -4.483) 6.591 10.539 ( -0.462 0.000 8.730) 8.742 10.872 ( 0.484 0.000 -7.933) 7.948 11.004 ( -1.700 0.000 20.133) 20.204 11.862 ( 1.854 0.000 -19.465) 19.553 12.653 ( -0.222 0.000 5.774) 5.779 12.862 ( -0.695 0.000 -3.554) 3.622 13.068 ( -0.766 0.000 0.954) 1.223 13.074 ( -0.300 0.000 4.350) 4.361 13.628 ( -1.204 0.000 4.523) 4.680 14.019 ( 0.317 0.000 -5.753) 5.761 14.206 ( -2.531 0.000 -9.115) 9.459 14.215 ( 2.876 0.000 -2.579) 3.863 14.400 ( 3.670 0.000 5.763) 6.832 14.693 ( -4.722 0.000 -15.183) 15.900 15.389 ( -0.069 0.000 7.136) 7.136 15.541 ( -0.571 0.000 -1.292) 1.412 16.193 ( 3.848 0.000 10.468) 11.153 16.343 ( -0.523 0.000 -1.431) 1.524 16.466 ( -3.429 0.000 12.961) 13.407 16.903 ( 1.620 0.000 -7.059) 7.242 24.543 ( 0.312 0.000 0.388) 0.498 24.570 ( 0.093 0.000 -1.168) 1.172 24.699 ( 0.054 0.000 1.041) 1.042 24.723 ( -0.248 0.000 -0.458) 0.521 26.212 ( -3.797 0.000 0.028) 3.797 26.214 ( -0.467 0.000 2.733) 2.772 26.307 ( -0.285 0.000 1.321) 1.351 26.446 ( 0.237 0.000 -2.751) 2.762 26.789 ( -0.477 0.000 5.086) 5.109 26.917 ( -1.082 0.000 5.718) 5.819 27.139 ( 0.577 0.000 -7.005) 7.029 27.473 ( 1.841 0.000 -20.617) 20.699 28.886 ( -0.349 0.000 6.582) 6.592 29.102 ( -0.423 0.000 -5.315) 5.332 29.367 ( 0.287 0.000 16.796) 16.799 29.755 ( 1.438 0.000 -3.391) 3.683 ======================= Grid point 94 (45/80) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -7.554 0.000 18.618) 20.092 1.009 ( -9.388 0.000 22.964) 24.808 1.465 ( 0.055 0.000 0.681) 0.683 1.543 ( 8.038 0.000 -5.130) 9.535 1.643 ( 2.926 0.000 -6.613) 7.231 1.698 ( -3.459 0.000 7.239) 8.023 1.776 ( 3.696 0.000 7.793) 8.625 1.952 ( 5.609 0.000 0.738) 5.657 1.976 ( 4.870 0.000 5.255) 7.165 2.098 ( 0.778 0.000 0.601) 0.984 2.206 ( -3.522 0.000 5.685) 6.687 2.476 ( 3.797 0.000 -1.601) 4.121 2.495 ( 0.915 0.000 11.391) 11.428 2.641 ( -0.349 0.000 0.691) 0.775 2.796 ( -2.654 0.000 -2.316) 3.522 2.977 ( -6.930 0.000 -12.182) 14.015 2.980 ( -6.742 0.000 -1.832) 6.987 3.069 ( -2.797 0.000 -4.292) 5.123 3.153 ( -0.235 0.000 -5.462) 5.467 3.169 ( -4.363 0.000 0.933) 4.462 3.207 ( -0.792 0.000 8.276) 8.314 3.275 ( -1.375 0.000 -4.909) 5.098 3.407 ( 1.797 0.000 1.994) 2.684 3.518 ( 2.607 0.000 -0.799) 2.727 3.532 ( 1.694 0.000 2.552) 3.064 3.585 ( 0.178 0.000 -0.167) 0.244 3.660 ( 2.490 0.000 2.871) 3.800 3.766 ( -1.745 0.000 -1.499) 2.300 3.777 ( 0.745 0.000 -1.737) 1.890 3.793 ( 5.216 0.000 1.083) 5.327 4.034 ( 1.735 0.000 -1.024) 2.015 4.070 ( -8.615 0.000 3.196) 9.189 4.080 ( -0.399 0.000 0.698) 0.804 4.258 ( -1.817 0.000 1.612) 2.429 4.615 ( 1.243 0.000 -9.566) 9.647 4.735 ( 2.875 0.000 -21.815) 22.003 5.110 ( -7.209 0.000 -1.826) 7.437 5.165 ( -0.745 0.000 -8.021) 8.056 5.499 ( 0.343 0.000 7.875) 7.883 5.684 ( 0.291 0.000 6.197) 6.204 6.062 ( 0.202 0.000 5.822) 5.826 6.293 ( 0.451 0.000 -7.158) 7.173 6.546 ( -2.762 0.000 4.273) 5.088 6.658 ( -8.565 0.000 -8.705) 12.212 7.143 ( -3.941 0.000 -0.790) 4.020 7.145 ( 0.497 0.000 1.025) 1.139 7.252 ( 0.748 0.000 4.225) 4.290 7.263 ( -1.373 0.000 5.198) 5.376 7.267 ( -1.326 0.000 7.365) 7.483 7.587 ( -4.078 0.000 -7.780) 8.784 7.725 ( 1.865 0.000 3.355) 3.838 7.733 ( -0.128 0.000 -2.085) 2.089 7.868 ( 1.018 0.000 -10.360) 10.410 8.011 ( -0.577 0.000 -6.094) 6.121 8.572 ( -3.955 0.000 10.910) 11.605 8.942 ( -1.205 0.000 -6.487) 6.598 9.149 ( 7.365 0.000 0.480) 7.381 9.289 ( 0.891 0.000 -7.119) 7.175 9.405 ( 3.826 0.000 6.776) 7.781 9.737 ( 10.365 0.000 -2.725) 10.717 10.556 ( 0.396 0.000 9.450) 9.458 10.877 ( 1.353 0.000 -7.043) 7.172 11.009 ( -1.299 0.000 20.114) 20.156 11.866 ( 1.815 0.000 -19.403) 19.487 12.649 ( -1.227 0.000 5.309) 5.449 12.843 ( -0.335 0.000 -3.828) 3.843 13.053 ( -0.724 0.000 1.552) 1.713 13.076 ( -0.235 0.000 4.215) 4.221 13.589 ( -3.332 0.000 5.475) 6.409 14.025 ( 0.975 0.000 -2.932) 3.090 14.141 ( -1.860 0.000 -11.532) 11.681 14.267 ( 1.850 0.000 -2.448) 3.069 14.442 ( -0.194 0.000 2.858) 2.865 14.471 ( -11.629 0.000 -11.472) 16.335 15.402 ( -0.125 0.000 7.457) 7.458 15.552 ( 1.414 0.000 -0.466) 1.489 16.282 ( 0.453 0.000 8.816) 8.828 16.356 ( 1.798 0.000 -0.527) 1.873 16.515 ( 7.626 0.000 11.359) 13.681 16.918 ( 0.786 0.000 -6.369) 6.418 24.553 ( 0.455 0.000 0.364) 0.583 24.574 ( 0.411 0.000 -0.987) 1.069 24.699 ( -0.206 0.000 0.934) 0.956 24.718 ( -0.141 0.000 -0.343) 0.371 26.134 ( -3.215 0.000 1.754) 3.662 26.208 ( -0.503 0.000 2.527) 2.576 26.288 ( -1.566 0.000 0.868) 1.791 26.431 ( -1.242 0.000 -2.172) 2.502 26.792 ( -0.074 0.000 4.455) 4.456 26.904 ( -0.939 0.000 4.814) 4.905 27.140 ( 0.629 0.000 -7.172) 7.200 27.375 ( -7.367 0.000 -17.409) 18.903 28.823 ( -5.078 0.000 6.266) 8.065 29.075 ( -0.812 0.000 -6.421) 6.472 29.537 ( 10.721 0.000 13.975) 17.614 29.795 ( 2.392 0.000 -1.415) 2.780 ======================= Grid point 95 (46/80) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -1.530 6.065 19.749) 20.716 1.121 ( 0.444 13.978 17.508) 22.408 1.534 ( 0.349 3.548 -7.017) 7.870 1.682 ( 4.270 0.739 -7.450) 8.618 1.744 ( 0.745 2.868 11.124) 11.512 1.878 ( 0.946 7.864 2.149) 8.207 1.959 ( 8.039 7.343 1.896) 11.051 1.978 ( -0.858 -0.526 -3.726) 3.859 2.064 ( 3.560 8.110 11.515) 14.527 2.144 ( -2.123 -0.261 3.496) 4.099 2.198 ( 2.055 4.523 -4.363) 6.612 2.522 ( -2.816 2.908 10.438) 11.195 2.535 ( -2.897 2.362 2.429) 4.457 2.706 ( -2.219 3.275 5.209) 6.541 2.769 ( 3.870 2.394 0.069) 4.551 2.867 ( -9.514 6.466 -5.247) 12.643 2.942 ( 2.656 4.419 -0.865) 5.228 3.024 ( -2.422 -1.516 -4.765) 5.556 3.084 ( -0.491 2.064 -5.211) 5.627 3.141 ( 0.278 -0.728 -4.537) 4.603 3.203 ( 0.624 -0.867 2.475) 2.696 3.262 ( 0.342 -0.143 4.335) 4.351 3.382 ( -3.934 0.003 -3.707) 5.406 3.460 ( 0.556 1.028 2.884) 3.112 3.575 ( -2.682 -0.897 -1.705) 3.302 3.618 ( -1.049 3.646 0.135) 3.796 3.668 ( -0.931 -3.800 -0.468) 3.941 3.747 ( -0.866 0.491 -0.409) 1.076 3.810 ( 0.583 1.553 3.711) 4.065 3.897 ( -4.106 7.424 -2.937) 8.978 4.045 ( 3.081 3.014 3.785) 5.736 4.076 ( 2.583 0.349 -0.636) 2.683 4.150 ( 1.744 4.862 1.383) 5.347 4.302 ( 0.967 6.321 0.349) 6.404 4.604 ( -0.263 -1.011 -10.923) 10.973 4.808 ( 0.670 5.017 -9.748) 10.984 4.968 ( -3.205 5.908 -5.042) 8.403 5.158 ( 2.022 0.174 -7.192) 7.473 5.495 ( 0.488 -3.591 9.541) 10.206 5.698 ( -1.755 -0.038 2.267) 2.867 6.135 ( -0.499 5.668 4.193) 7.068 6.304 ( 0.883 1.034 -4.529) 4.729 6.497 ( -2.158 -0.316 0.138) 2.186 6.617 ( 9.543 -2.710 -4.596) 10.934 6.964 ( -2.848 -7.715 2.179) 8.508 7.110 ( 0.321 -7.035 -1.681) 7.240 7.165 ( -2.846 -1.757 10.030) 10.573 7.315 ( 0.356 4.898 3.767) 6.189 7.384 ( 0.868 5.962 -0.905) 6.092 7.580 ( -1.564 5.142 -1.267) 5.522 7.731 ( 0.580 -0.491 0.838) 1.131 7.822 ( 2.344 -0.194 0.807) 2.487 7.877 ( 1.240 4.756 -12.079) 13.041 7.994 ( -0.039 0.416 -7.170) 7.182 8.513 ( -1.516 -2.393 10.991) 11.350 8.875 ( -0.248 -3.994 -5.876) 7.109 9.181 ( 0.612 -4.532 -0.225) 4.578 9.254 ( -0.866 -1.545 -5.865) 6.127 9.482 ( 1.472 -1.304 6.389) 6.685 9.712 ( -0.549 -9.621 -3.404) 10.220 10.531 ( -0.947 -4.435 9.442) 10.475 10.800 ( 0.644 -8.423 -0.130) 8.449 11.100 ( -1.126 6.814 10.269) 12.375 11.817 ( 1.539 -4.695 -17.936) 18.604 12.587 ( -0.471 -2.800 5.091) 5.829 12.841 ( 0.247 -1.706 -6.334) 6.565 13.134 ( -0.275 8.328 5.054) 9.746 13.184 ( 0.416 7.817 3.721) 8.668 13.501 ( -0.319 -2.929 1.968) 3.543 13.932 ( 1.836 -11.574 -12.123) 16.861 14.072 ( 1.595 -0.721 1.052) 2.042 14.156 ( -5.884 -1.571 -2.154) 6.459 14.395 ( -4.555 0.319 1.648) 4.855 14.492 ( 5.809 3.902 -4.296) 8.211 15.393 ( -0.759 -1.255 7.037) 7.188 15.558 ( 0.897 -2.152 -0.875) 2.490 16.259 ( -2.665 0.324 8.830) 9.229 16.429 ( 1.457 2.890 0.179) 3.241 16.567 ( 3.370 -9.105 9.769) 13.773 16.917 ( -0.522 -0.525 -6.981) 7.020 24.547 ( -0.138 -0.811 0.651) 1.049 24.587 ( 0.312 0.385 -1.389) 1.475 24.712 ( -0.232 1.336 0.379) 1.408 24.720 ( 0.115 0.378 -0.066) 0.401 26.118 ( 2.460 -2.004 2.436) 4.000 26.205 ( -0.492 -0.486 -0.888) 1.126 26.297 ( 2.185 2.310 1.803) 3.655 26.387 ( -2.483 -0.144 -0.335) 2.510 26.759 ( 0.180 -1.979 4.695) 5.098 27.009 ( -0.868 -0.706 4.110) 4.260 27.034 ( -0.092 3.750 -7.661) 8.530 27.341 ( -2.022 8.004 -10.038) 12.997 28.763 ( -1.946 0.864 7.419) 7.718 29.043 ( 0.482 -1.536 -6.134) 6.342 29.606 ( 2.036 -7.525 10.141) 12.791 29.805 ( 0.052 -2.977 -1.638) 3.398 ======================= Grid point 96 (47/80) ======================= q-point: ( 0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 3.682 7.525 15.167) 17.327 1.221 ( 6.678 13.655 13.682) 20.451 1.558 ( 2.953 2.938 -7.834) 8.872 1.705 ( -1.798 3.847 -2.659) 5.010 1.771 ( -0.749 0.547 -0.117) 0.935 1.868 ( -2.292 1.023 2.664) 3.660 1.976 ( -1.746 3.663 -3.685) 5.481 2.016 ( 2.077 2.379 -3.650) 4.826 2.116 ( -0.505 0.709 4.819) 4.897 2.146 ( -4.287 7.783 -3.239) 9.458 2.235 ( 5.824 10.849 7.810) 14.581 2.443 ( -4.171 1.444 12.207) 12.980 2.470 ( -5.981 0.924 11.077) 12.622 2.612 ( -5.361 4.124 1.092) 6.851 2.741 ( 1.408 4.884 -4.482) 6.777 2.848 ( 1.368 1.842 -0.022) 2.295 2.992 ( 5.970 0.638 -0.671) 6.041 3.055 ( 2.158 6.225 -5.726) 8.729 3.085 ( -0.301 -5.157 -0.561) 5.196 3.134 ( 0.849 -2.219 -5.124) 5.648 3.259 ( 2.888 -2.096 2.855) 4.570 3.262 ( 0.380 -0.236 -0.954) 1.053 3.333 ( 0.326 1.830 3.370) 3.848 3.473 ( -2.792 -2.899 4.237) 5.843 3.530 ( -1.429 4.494 -0.624) 4.757 3.595 ( -3.166 4.469 0.908) 5.551 3.612 ( -1.855 -1.489 1.126) 2.632 3.706 ( -2.352 2.605 2.227) 4.156 3.815 ( -0.731 4.574 -0.624) 4.674 3.847 ( 2.267 2.941 1.440) 3.983 4.045 ( -1.043 0.800 -1.234) 1.803 4.157 ( 1.377 3.293 -1.605) 3.913 4.248 ( 6.969 0.049 0.453) 6.984 4.330 ( 1.446 6.431 0.606) 6.619 4.579 ( -0.064 -1.655 -8.796) 8.951 4.828 ( 1.564 8.539 -16.344) 18.507 4.953 ( 2.661 3.718 -0.208) 4.577 5.199 ( 2.541 0.556 -5.204) 5.818 5.499 ( -1.356 -3.897 9.510) 10.367 5.665 ( -1.389 0.212 1.653) 2.169 6.126 ( -0.897 6.013 4.101) 7.333 6.314 ( 0.705 1.243 -3.968) 4.218 6.492 ( 1.362 -0.110 0.391) 1.421 6.887 ( 13.885 -8.518 -12.139) 20.315 6.919 ( -1.122 -7.950 2.842) 8.517 7.117 ( 0.321 -7.163 3.383) 7.928 7.136 ( -0.994 -1.011 6.565) 6.716 7.325 ( -0.141 5.193 3.818) 6.447 7.401 ( 0.971 7.005 -2.327) 7.445 7.564 ( 0.074 5.773 -1.124) 5.882 7.744 ( 0.293 -1.696 1.940) 2.594 7.854 ( 0.772 -2.019 -3.411) 4.038 7.890 ( 1.710 6.722 -7.976) 10.571 7.993 ( 1.484 0.515 -8.864) 9.002 8.525 ( 1.086 -3.260 11.814) 12.303 8.866 ( 0.179 -4.131 -3.892) 5.678 9.122 ( -6.584 -3.955 2.754) 8.160 9.226 ( -0.758 -1.063 -7.071) 7.190 9.478 ( -2.500 -2.362 4.882) 5.972 9.628 ( -4.946 -3.938 -4.322) 7.659 10.523 ( -1.272 -4.248 8.969) 10.006 10.801 ( -0.490 -7.975 0.217) 7.993 11.090 ( -1.343 6.170 10.333) 12.110 11.815 ( 1.345 -4.518 -18.009) 18.615 12.598 ( 0.439 -2.209 5.439) 5.886 12.846 ( 1.196 -2.652 -5.629) 6.336 13.122 ( -1.322 8.332 4.627) 9.622 13.189 ( -0.516 6.702 4.753) 8.232 13.536 ( 2.432 -3.452 -0.368) 4.239 13.927 ( -0.122 -10.538 -11.468) 15.575 14.085 ( 1.953 -2.515 1.082) 3.363 14.201 ( 6.675 1.042 -1.196) 6.861 14.300 ( -4.483 -0.988 0.071) 4.591 14.607 ( 5.747 2.836 -3.840) 7.471 15.383 ( -1.334 -1.352 6.824) 7.083 15.563 ( -0.279 -2.632 -1.541) 3.063 16.212 ( -3.096 1.271 8.410) 9.052 16.438 ( -0.808 2.489 -0.004) 2.617 16.583 ( -3.026 -7.161 9.577) 12.335 16.887 ( -0.598 -0.634 -7.696) 7.745 24.541 ( -0.521 -0.734 0.596) 1.080 24.585 ( -0.209 0.282 -1.382) 1.426 24.707 ( -0.236 1.210 0.577) 1.361 24.725 ( 0.264 0.320 -0.113) 0.430 26.156 ( 1.132 -3.765 -0.306) 3.943 26.225 ( 0.480 -2.863 1.066) 3.092 26.344 ( -0.783 0.757 1.778) 2.085 26.375 ( 4.436 3.122 -1.716) 5.689 26.763 ( -0.705 -1.849 5.195) 5.560 27.021 ( 1.960 -6.515 -1.635) 6.997 27.033 ( 0.460 9.234 -1.889) 9.437 27.345 ( 3.953 7.691 -9.528) 12.867 28.766 ( 0.788 0.877 8.360) 8.442 29.057 ( 1.661 -1.643 -5.493) 5.969 29.580 ( -5.723 -5.308 8.469) 11.518 29.776 ( -2.011 -3.065 -2.089) 4.219 ======================= Grid point 97 (48/80) ======================= q-point: ( 0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 4.099 5.832 8.661) 11.218 1.416 ( 7.978 12.913 9.450) 17.880 1.552 ( -7.073 7.693 2.051) 10.650 1.607 ( -2.476 4.430 -4.097) 6.522 1.722 ( -2.490 5.668 -3.004) 6.881 1.815 ( -5.129 0.528 -3.859) 6.440 1.835 ( -4.334 4.657 -0.287) 6.369 2.029 ( -4.744 6.551 0.585) 8.109 2.099 ( -3.141 3.496 5.904) 7.546 2.135 ( 3.726 2.124 -1.710) 4.618 2.237 ( -5.591 5.844 0.497) 8.103 2.351 ( -3.187 0.376 2.907) 4.330 2.420 ( 1.307 -0.336 9.591) 9.686 2.616 ( 2.855 -1.242 4.138) 5.178 2.861 ( 7.181 -1.359 -6.253) 9.618 2.918 ( 6.311 0.598 5.271) 8.244 2.997 ( -4.550 -0.667 -3.259) 5.637 3.088 ( 0.859 -2.401 -2.133) 3.324 3.103 ( 3.267 3.724 1.351) 5.134 3.237 ( 7.638 0.521 -0.840) 7.701 3.260 ( 0.779 0.135 0.663) 1.032 3.297 ( -3.732 -1.433 3.413) 5.256 3.336 ( -3.074 -2.040 5.951) 7.001 3.359 ( 0.263 3.493 3.588) 5.015 3.541 ( 0.753 4.895 -1.652) 5.221 3.574 ( -0.010 0.932 1.795) 2.023 3.617 ( 2.408 6.204 -0.393) 6.667 3.675 ( -1.392 0.518 0.303) 1.516 3.813 ( -0.036 4.219 0.886) 4.312 3.888 ( 1.264 5.419 -0.619) 5.599 4.025 ( -0.586 -0.775 -0.619) 1.152 4.149 ( -1.410 3.658 -2.853) 4.848 4.328 ( 0.150 -0.886 -3.057) 3.186 4.350 ( -0.218 3.461 0.898) 3.582 4.581 ( 1.586 -0.203 -6.854) 7.038 4.818 ( 1.356 10.334 -17.528) 20.392 5.036 ( 3.985 0.740 1.200) 4.227 5.224 ( 0.504 -0.203 -4.333) 4.367 5.484 ( -1.734 -4.417 9.708) 10.805 5.659 ( 0.652 0.718 1.538) 1.818 6.118 ( -0.525 6.367 4.575) 7.858 6.316 ( 0.195 1.241 -4.300) 4.480 6.535 ( 2.041 -0.310 2.218) 3.030 6.863 ( -3.019 -8.970 -1.795) 9.633 7.055 ( 1.835 -7.630 -2.539) 8.248 7.131 ( 0.211 -6.668 2.892) 7.272 7.199 ( 5.814 -2.683 0.568) 6.429 7.321 ( -0.884 5.066 3.379) 6.154 7.407 ( -0.116 8.031 -4.524) 9.219 7.583 ( 2.176 4.328 -0.427) 4.863 7.742 ( -0.932 -2.761 2.232) 3.671 7.845 ( -0.766 -0.295 -6.487) 6.538 7.900 ( 0.231 4.908 -6.947) 8.509 8.019 ( 2.081 0.452 -9.105) 9.350 8.608 ( 4.701 -5.202 12.056) 13.947 8.830 ( -5.641 -6.835 5.659) 10.515 8.996 ( -2.478 1.768 0.905) 3.176 9.204 ( 0.260 -0.621 -8.259) 8.286 9.419 ( -3.319 -2.110 2.344) 4.578 9.553 ( -1.148 -0.708 -6.181) 6.326 10.515 ( -0.950 -3.023 8.545) 9.113 10.787 ( -0.854 -7.605 0.723) 7.687 11.084 ( -0.941 5.934 10.017) 11.681 11.812 ( 1.404 -4.538 -18.089) 18.702 12.614 ( -0.010 -2.315 5.839) 6.281 12.861 ( 1.002 -2.365 -5.157) 5.761 13.107 ( -0.947 7.063 5.521) 9.015 13.182 ( -0.927 5.804 4.282) 7.272 13.571 ( 0.987 -3.686 -0.795) 3.898 13.909 ( 0.315 -10.493 -10.381) 14.764 14.135 ( 0.503 -2.748 1.116) 3.009 14.235 ( 0.334 -3.450 -4.431) 5.626 14.346 ( 6.204 4.473 1.545) 7.802 14.691 ( 2.497 -0.470 -6.735) 7.198 15.369 ( -1.001 -1.670 6.628) 6.908 15.542 ( -1.321 -2.786 -2.019) 3.685 16.177 ( -1.371 2.088 9.005) 9.346 16.402 ( -2.161 2.400 -1.117) 3.417 16.513 ( -4.772 -3.277 11.972) 13.298 16.880 ( 1.184 -0.717 -7.706) 7.830 24.533 ( -0.222 -0.613 0.597) 0.884 24.577 ( -0.284 0.125 -1.428) 1.462 24.707 ( 0.081 1.062 0.758) 1.308 24.728 ( 0.063 0.229 -0.242) 0.339 26.177 ( 0.373 -3.303 0.444) 3.354 26.210 ( -0.901 -4.307 -0.407) 4.419 26.333 ( -0.992 1.954 3.581) 4.198 26.452 ( 2.461 1.743 -1.538) 3.385 26.755 ( -0.906 -1.878 6.180) 6.522 27.036 ( 0.098 8.869 -0.955) 8.921 27.058 ( 1.546 -6.365 -3.967) 7.658 27.443 ( 6.420 4.718 -14.088) 16.184 28.817 ( 2.432 -0.241 8.990) 9.317 29.082 ( 1.301 -1.885 -4.748) 5.272 29.447 ( -7.516 -1.201 10.492) 12.961 29.735 ( -1.090 -2.530 -3.230) 4.245 ======================= Grid point 98 (49/80) ======================= q-point: (-0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -1.388 5.837 10.445) 12.045 1.301 ( -11.785 9.127 10.800) 18.407 1.537 ( 1.041 7.005 -6.653) 9.717 1.594 ( -1.933 7.838 -0.711) 8.104 1.660 ( -1.408 6.395 -1.341) 6.684 1.762 ( 2.376 7.478 -0.524) 7.864 1.827 ( 3.018 2.020 4.052) 5.441 1.938 ( -7.179 7.708 14.021) 17.537 1.996 ( -0.507 8.247 -2.947) 8.772 2.137 ( -1.892 3.057 3.566) 5.064 2.209 ( -0.716 -2.753 5.296) 6.012 2.388 ( 5.117 0.484 -2.464) 5.700 2.450 ( 1.210 -1.843 3.152) 3.847 2.687 ( 2.260 2.428 2.332) 4.055 2.861 ( -4.497 -0.082 -3.148) 5.490 2.985 ( 3.432 -3.756 0.268) 5.095 3.018 ( 1.547 -1.898 -7.144) 7.552 3.098 ( -0.508 -1.417 -1.689) 2.263 3.119 ( -0.759 -1.033 2.463) 2.777 3.252 ( -2.585 -1.364 -0.549) 2.974 3.281 ( -2.376 0.459 2.849) 3.737 3.291 ( -1.221 1.445 3.659) 4.119 3.397 ( 6.535 -2.730 0.431) 7.096 3.421 ( 7.260 6.595 7.197) 12.166 3.524 ( -0.582 7.750 -1.740) 7.964 3.609 ( 1.944 -2.818 -0.085) 3.425 3.629 ( -1.131 5.651 0.913) 5.835 3.700 ( 3.887 3.135 -1.156) 5.126 3.814 ( -0.143 4.414 -1.678) 4.724 3.883 ( -1.563 5.429 -2.289) 6.096 4.025 ( 0.797 1.259 0.099) 1.494 4.113 ( -1.060 1.910 -1.740) 2.793 4.248 ( -6.563 0.283 -2.304) 6.961 4.323 ( -2.147 2.371 2.004) 3.775 4.604 ( 1.450 1.034 -7.278) 7.493 4.831 ( 2.410 10.642 -17.039) 20.233 5.093 ( 1.110 -2.051 0.998) 2.537 5.211 ( -0.799 -0.168 -5.735) 5.793 5.456 ( -2.465 -4.815 9.570) 10.993 5.690 ( 1.569 0.906 2.467) 3.061 6.121 ( -0.044 6.358 5.112) 8.159 6.308 ( -0.084 1.069 -5.102) 5.213 6.561 ( -0.274 -1.078 3.586) 3.755 6.769 ( -5.994 -7.244 -5.191) 10.741 7.064 ( -0.103 -5.954 -0.027) 5.955 7.127 ( -1.166 -6.905 1.386) 7.138 7.258 ( -0.840 -2.057 1.361) 2.605 7.309 ( -0.402 4.209 0.888) 4.321 7.379 ( -1.441 7.884 -0.138) 8.015 7.650 ( 3.912 2.362 -0.552) 4.603 7.710 ( -2.808 -2.796 1.795) 4.350 7.799 ( -2.334 1.584 -4.529) 5.336 7.885 ( 0.170 3.762 -10.367) 11.030 8.030 ( 0.337 0.289 -7.683) 7.695 8.629 ( -5.898 -4.417 10.150) 12.543 8.818 ( 5.453 -7.700 8.741) 12.862 9.015 ( 2.803 1.547 -0.729) 3.284 9.229 ( 3.661 -0.677 -7.505) 8.377 9.370 ( -1.300 -1.149 2.191) 2.795 9.560 ( 2.887 -1.601 -5.877) 6.741 10.516 ( -0.384 -2.429 8.697) 9.039 10.775 ( -0.247 -7.657 0.849) 7.707 11.087 ( -0.515 6.299 9.989) 11.820 11.811 ( 1.630 -4.709 -18.066) 18.741 12.615 ( -0.871 -2.963 5.718) 6.499 12.865 ( 0.260 -1.199 -5.460) 5.596 13.104 ( -0.341 6.569 6.327) 9.127 13.170 ( -0.816 5.684 4.046) 7.024 13.574 ( -0.664 -3.651 -0.256) 3.720 13.904 ( 0.992 -11.013 -10.292) 15.107 14.096 ( -2.717 -3.435 0.794) 4.452 14.295 ( 4.797 -0.935 -6.340) 8.005 14.437 ( 1.806 4.073 3.320) 5.556 14.646 ( -5.981 -3.399 -11.103) 13.062 15.371 ( 0.093 -1.701 6.849) 7.058 15.519 ( -0.189 -2.131 -1.055) 2.385 16.205 ( 2.563 1.198 10.346) 10.726 16.368 ( -0.560 2.263 -0.775) 2.456 16.449 ( -3.243 -1.180 12.826) 13.282 16.901 ( 1.834 -0.609 -7.025) 7.285 24.535 ( 0.265 -0.611 0.653) 0.933 24.573 ( 0.146 0.074 -1.366) 1.376 24.711 ( 0.140 1.058 0.709) 1.281 24.726 ( -0.191 0.300 -0.294) 0.461 26.146 ( -2.547 -3.662 0.758) 4.525 26.224 ( 1.424 -2.142 0.225) 2.582 26.306 ( -2.284 1.159 2.983) 3.931 26.469 ( -0.469 1.265 -0.385) 1.403 26.750 ( -0.668 -1.966 6.132) 6.474 27.031 ( -0.620 8.765 1.251) 8.875 27.069 ( 0.592 -5.898 -6.674) 8.926 27.507 ( 1.601 2.810 -18.069) 18.356 28.862 ( -0.528 -1.772 7.086) 7.323 29.082 ( -0.415 -1.939 -5.101) 5.473 29.372 ( -0.431 0.644 15.289) 15.309 29.734 ( 1.587 -2.102 -3.142) 4.100 ======================= Grid point 99 (50/80) ======================= q-point: (-0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -10.559 4.221 19.724) 22.767 1.149 ( -5.854 12.550 15.491) 20.778 1.552 ( -1.009 6.874 -5.409) 8.805 1.591 ( 4.897 3.151 -9.466) 11.113 1.722 ( 8.426 10.356 3.845) 13.894 1.765 ( -2.976 4.897 2.589) 6.288 1.863 ( 1.409 7.559 6.809) 10.270 1.968 ( 4.031 3.028 4.735) 6.917 2.020 ( 0.931 2.890 4.135) 5.130 2.142 ( 2.328 4.946 0.968) 5.552 2.176 ( -2.343 -1.837 5.680) 6.413 2.484 ( 3.566 2.040 4.875) 6.375 2.517 ( 3.943 0.488 0.232) 3.980 2.699 ( -0.339 5.382 6.950) 8.797 2.782 ( -3.183 -1.238 -3.235) 4.704 2.955 ( -2.606 0.808 -6.054) 6.641 3.040 ( -3.918 2.764 -2.820) 5.563 3.083 ( 0.704 -3.451 -2.243) 4.175 3.121 ( -1.351 0.265 -1.586) 2.100 3.160 ( -4.055 0.902 -5.443) 6.847 3.208 ( -1.804 0.154 -0.599) 1.907 3.260 ( -1.680 0.576 7.129) 7.347 3.446 ( -1.054 -0.766 -3.613) 3.841 3.490 ( -2.681 5.773 0.487) 6.384 3.564 ( 2.954 -0.424 0.325) 3.002 3.646 ( 1.687 -3.628 -0.282) 4.011 3.676 ( 1.461 4.563 0.930) 4.880 3.768 ( 1.787 1.267 -0.833) 2.343 3.793 ( -0.159 3.543 -1.000) 3.685 3.849 ( 1.053 4.274 1.754) 4.738 4.048 ( 0.735 2.234 -1.547) 2.815 4.090 ( -4.252 2.244 -1.059) 4.923 4.125 ( -0.666 4.426 2.673) 5.213 4.294 ( -0.608 4.126 2.089) 4.665 4.612 ( 0.906 1.150 -9.275) 9.390 4.836 ( 0.482 8.312 -16.734) 18.691 5.072 ( -4.065 -1.208 -0.548) 4.276 5.162 ( -1.818 -0.587 -7.489) 7.729 5.452 ( 1.082 -3.546 9.081) 9.809 5.714 ( -0.002 0.308 3.017) 3.033 6.130 ( 0.014 6.026 4.987) 7.822 6.300 ( 0.268 0.933 -5.364) 5.451 6.544 ( -1.196 -0.724 1.751) 2.240 6.608 ( -7.267 -3.774 -5.120) 9.658 7.030 ( -3.495 -6.639 1.270) 7.609 7.108 ( 0.129 -6.657 -3.121) 7.353 7.212 ( -3.335 -1.191 9.310) 9.960 7.305 ( -0.040 4.491 2.260) 5.028 7.371 ( 0.261 6.153 1.111) 6.258 7.636 ( -3.529 2.028 -1.558) 4.358 7.714 ( 1.561 0.442 0.672) 1.756 7.776 ( 1.174 1.460 -0.676) 1.992 7.877 ( 0.842 3.231 -11.868) 12.329 8.013 ( -0.525 0.240 -6.689) 6.714 8.545 ( -3.588 -2.539 10.625) 11.499 8.887 ( 0.464 -5.891 -3.083) 6.665 9.112 ( 5.437 -2.905 1.814) 6.426 9.272 ( 0.588 -1.831 -6.116) 6.412 9.406 ( 3.960 -0.054 4.813) 6.233 9.648 ( 5.715 -6.554 -3.340) 9.316 10.526 ( -0.234 -3.268 9.130) 9.700 10.782 ( 0.769 -7.948 0.435) 7.997 11.096 ( -0.366 6.859 10.141) 12.248 11.815 ( 1.697 -4.803 -17.975) 18.683 12.600 ( -1.395 -3.441 5.230) 6.414 12.854 ( -0.273 -0.813 -6.201) 6.260 13.117 ( 0.539 7.495 6.190) 9.735 13.168 ( 0.070 6.383 4.197) 7.639 13.540 ( -2.538 -3.208 0.658) 4.143 13.913 ( 1.666 -11.714 -10.911) 16.095 14.057 ( -0.824 -2.318 0.591) 2.531 14.370 ( -7.806 -6.050 -5.591) 11.349 14.392 ( 2.503 6.614 -6.773) 9.792 14.478 ( -4.741 0.768 0.395) 4.819 15.388 ( 0.095 -1.422 7.043) 7.186 15.534 ( 1.394 -1.895 -0.445) 2.394 16.274 ( 0.570 -0.366 8.885) 8.910 16.390 ( 2.382 2.583 -0.664) 3.576 16.454 ( 2.782 -3.944 14.187) 14.986 16.922 ( 1.147 -0.428 -6.578) 6.691 24.543 ( 0.345 -0.703 0.694) 1.046 24.579 ( 0.618 0.229 -1.324) 1.479 24.713 ( -0.002 1.208 0.497) 1.306 24.721 ( -0.175 0.415 -0.171) 0.481 26.101 ( -1.407 -2.191 1.626) 3.070 26.244 ( -1.803 2.659 3.201) 4.535 26.263 ( 0.301 -2.414 -0.676) 2.525 26.439 ( -2.239 0.496 -0.074) 2.294 26.750 ( -0.245 -1.975 5.512) 5.860 27.020 ( -0.731 7.359 2.629) 7.848 27.059 ( -0.407 -4.624 -8.095) 9.332 27.442 ( -4.225 4.924 -16.025) 17.289 28.816 ( -3.976 -0.411 6.422) 7.564 29.058 ( -0.717 -1.707 -5.913) 6.196 29.480 ( 6.601 -3.757 15.056) 16.863 29.777 ( 2.486 -2.313 -1.955) 3.918 ======================= Grid point 100 (51/80) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 1.383 10.229 13.057) 16.644 1.425 ( 1.448 14.505 10.886) 18.193 1.625 ( 0.164 5.885 -6.013) 8.415 1.749 ( 1.363 5.494 -3.665) 6.744 1.802 ( -1.164 3.270 5.723) 6.693 1.967 ( 2.798 -0.109 -2.116) 3.510 2.010 ( 0.420 4.209 0.896) 4.324 2.081 ( -0.623 6.932 -2.317) 7.335 2.131 ( -0.267 0.112 2.119) 2.138 2.295 ( 1.737 4.878 -1.574) 5.412 2.311 ( 5.882 11.787 7.694) 15.255 2.574 ( -0.255 2.041 0.339) 2.085 2.597 ( -0.965 4.159 7.623) 8.738 2.796 ( 0.179 5.380 4.691) 7.141 2.819 ( 1.652 0.686 2.492) 3.067 2.933 ( -5.777 -0.129 -1.499) 5.970 2.988 ( 0.587 0.028 -2.535) 2.603 3.050 ( -1.934 2.340 -0.138) 3.039 3.071 ( -3.008 -1.213 -6.045) 6.860 3.168 ( -1.913 1.459 -2.640) 3.572 3.245 ( -0.366 6.450 5.293) 8.352 3.310 ( 0.430 5.535 3.111) 6.364 3.362 ( 0.054 -1.279 0.366) 1.332 3.522 ( -3.709 0.966 -2.973) 4.850 3.565 ( -1.381 1.191 -2.513) 3.104 3.596 ( -0.375 -0.449 1.814) 1.905 3.712 ( -1.446 5.210 -0.039) 5.407 3.756 ( 2.076 0.080 0.581) 2.157 3.823 ( -0.172 0.576 5.253) 5.288 3.981 ( -1.699 0.949 -1.803) 2.653 4.097 ( 2.136 1.046 -1.428) 2.774 4.147 ( 0.226 5.105 -4.974) 7.131 4.278 ( 0.180 10.049 0.496) 10.062 4.468 ( 0.422 8.507 -1.626) 8.672 4.660 ( -0.806 8.720 -0.952) 8.808 4.913 ( 0.769 5.563 1.152) 5.733 5.122 ( 1.122 5.985 -9.784) 11.524 5.183 ( 1.535 4.003 -7.838) 8.934 5.428 ( 0.660 -2.478 6.381) 6.877 5.620 ( -1.775 -7.437 1.135) 7.730 6.266 ( -0.114 7.146 0.389) 7.157 6.337 ( 0.787 2.095 -1.599) 2.751 6.480 ( -1.500 -1.011 0.403) 1.854 6.558 ( 5.779 -3.342 -3.490) 7.533 6.823 ( -3.579 -6.403 1.000) 7.404 6.960 ( 0.327 -7.476 -3.079) 8.092 7.172 ( -2.814 2.198 12.669) 13.163 7.373 ( 0.801 0.559 2.194) 2.401 7.448 ( 1.572 -0.128 -4.615) 4.877 7.683 ( 0.198 -2.731 5.151) 5.833 7.717 ( -1.077 7.194 4.170) 8.384 7.799 ( 1.255 -0.136 -5.025) 5.181 7.990 ( 0.819 1.450 -10.095) 10.232 8.027 ( 1.697 5.482 -9.179) 10.826 8.469 ( -1.593 -1.421 10.202) 10.423 8.747 ( -0.245 -8.444 1.194) 8.532 9.081 ( -0.377 -4.743 1.864) 5.110 9.221 ( -0.404 -1.717 -4.954) 5.259 9.437 ( 1.008 -3.522 0.437) 3.689 9.550 ( 0.524 -6.974 -5.584) 8.949 10.432 ( -1.197 -4.853 9.008) 10.302 10.613 ( 0.181 -9.709 4.049) 10.521 11.245 ( -0.525 7.694 2.250) 8.033 11.709 ( 1.441 -5.651 -14.841) 15.946 12.535 ( -0.138 -2.312 6.178) 6.598 12.777 ( -0.735 -5.041 -2.157) 5.532 13.197 ( -0.407 -0.745 8.214) 8.258 13.377 ( 0.901 9.752 -0.098) 9.794 13.529 ( 0.294 5.815 -5.781) 8.205 13.690 ( 2.055 -11.551 -11.511) 16.436 14.052 ( 1.298 -1.518 1.145) 2.302 14.111 ( -3.748 -3.058 -1.605) 5.097 14.417 ( -4.340 2.034 2.161) 5.258 14.554 ( 4.856 2.358 -5.466) 7.683 15.358 ( -0.679 -2.164 6.051) 6.462 15.497 ( 0.439 -4.023 -0.502) 4.078 16.274 ( -1.873 1.160 9.343) 9.600 16.422 ( 1.468 -4.919 13.295) 14.252 16.503 ( 0.866 4.193 0.497) 4.311 16.879 ( -0.490 -3.171 -6.683) 7.413 24.537 ( -0.133 -0.208 0.944) 0.975 24.587 ( 0.367 -0.468 -1.438) 1.556 24.731 ( -0.132 0.800 0.063) 0.814 24.738 ( -0.030 1.044 -0.186) 1.060 26.085 ( 0.939 -1.198 2.116) 2.607 26.179 ( -1.197 -2.181 -2.216) 3.332 26.329 ( 2.441 1.242 3.520) 4.460 26.391 ( -1.666 0.335 1.827) 2.495 26.740 ( -0.014 -0.091 5.065) 5.066 26.913 ( -1.098 -4.322 2.497) 5.111 27.217 ( 1.142 9.395 -8.967) 13.038 27.472 ( -0.543 4.980 -13.199) 14.118 28.790 ( -1.222 1.868 5.889) 6.298 29.002 ( 0.357 -2.541 -4.456) 5.142 29.501 ( 0.873 -2.717 11.406) 11.757 29.720 ( -0.244 -5.105 -1.062) 5.220 ======================= Grid point 101 (52/80) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 3.986 11.396 10.919) 16.278 1.512 ( 5.419 13.938 7.492) 16.726 1.631 ( 2.444 3.867 -2.992) 5.466 1.789 ( 1.772 4.939 -3.751) 6.450 1.811 ( -0.118 3.863 2.828) 4.789 1.920 ( -5.866 2.198 3.651) 7.250 2.064 ( 4.479 4.517 -3.717) 7.367 2.081 ( -1.135 2.066 0.031) 2.358 2.113 ( 0.739 3.035 -1.311) 3.388 2.288 ( -2.378 5.638 0.119) 6.120 2.395 ( -0.974 4.060 10.007) 10.844 2.513 ( -4.981 3.840 0.103) 6.290 2.573 ( -3.159 9.965 7.243) 12.718 2.717 ( -8.116 5.208 -0.608) 9.663 2.807 ( 1.315 1.797 -6.363) 6.742 2.885 ( -0.520 1.340 4.473) 4.698 2.998 ( -0.763 -3.158 -1.825) 3.726 3.027 ( 3.261 1.163 2.429) 4.230 3.044 ( 0.138 -3.763 -3.913) 5.430 3.141 ( 0.706 0.588 -2.388) 2.558 3.234 ( -0.497 1.202 4.946) 5.114 3.298 ( -2.111 1.976 0.133) 2.895 3.401 ( -0.214 3.234 2.387) 4.025 3.443 ( -1.728 2.220 -0.895) 2.953 3.525 ( -0.207 -1.259 0.042) 1.277 3.610 ( 0.179 2.237 0.975) 2.447 3.730 ( 2.435 5.624 -0.555) 6.153 3.800 ( 0.550 4.070 3.540) 5.422 3.868 ( 3.349 0.099 3.447) 4.808 3.930 ( -0.235 4.144 -2.749) 4.978 4.088 ( -3.214 4.668 -4.287) 7.106 4.182 ( 3.959 1.320 -1.621) 4.477 4.312 ( 2.304 5.696 2.964) 6.822 4.470 ( 0.167 6.378 -4.397) 7.749 4.652 ( -0.320 11.134 2.698) 11.461 4.982 ( 4.636 5.378 -0.568) 7.123 5.097 ( -0.699 10.902 -13.637) 17.473 5.216 ( 1.733 1.146 -4.407) 4.872 5.431 ( -1.307 -2.946 7.366) 8.040 5.592 ( -0.657 -6.989 0.044) 7.020 6.265 ( -0.058 7.441 0.038) 7.441 6.351 ( 0.548 2.185 -0.879) 2.418 6.481 ( 1.381 -0.908 0.622) 1.765 6.696 ( 4.347 -9.561 -7.059) 12.654 6.790 ( 2.600 -5.465 2.178) 6.432 6.971 ( 0.987 -7.310 -0.848) 7.425 7.152 ( -0.972 2.719 12.376) 12.708 7.390 ( 0.343 0.711 1.722) 1.895 7.482 ( 2.454 0.132 -6.822) 7.251 7.684 ( -1.987 -3.438 8.401) 9.292 7.702 ( -0.331 7.989 2.079) 8.262 7.821 ( 1.711 -0.875 -6.434) 6.715 8.001 ( 1.860 0.166 -10.340) 10.508 8.036 ( 0.733 6.728 -9.504) 11.667 8.469 ( 0.084 -1.716 11.071) 11.204 8.733 ( -1.722 -8.736 3.079) 9.422 9.045 ( -2.992 -3.551 1.539) 4.892 9.200 ( -0.648 -1.525 -5.770) 6.004 9.425 ( -1.898 -3.368 -0.298) 3.877 9.531 ( -1.027 -5.652 -6.205) 8.456 10.432 ( -0.296 -4.392 8.711) 9.760 10.623 ( -0.090 -9.394 4.267) 10.318 11.230 ( -1.094 7.753 2.508) 8.222 11.710 ( 1.131 -5.598 -14.888) 15.945 12.552 ( 0.378 -2.372 6.774) 7.187 12.769 ( 0.376 -5.380 -1.791) 5.682 13.201 ( -0.622 -0.749 7.526) 7.589 13.364 ( -1.664 10.566 1.128) 10.756 13.552 ( 2.156 4.460 -7.079) 8.640 13.701 ( 0.770 -10.521 -12.022) 15.994 14.028 ( 0.318 -3.180 0.522) 3.238 14.141 ( 1.543 -5.041 -0.631) 5.309 14.362 ( 0.174 5.173 1.499) 5.388 14.644 ( 4.153 0.908 -4.419) 6.132 15.346 ( -1.425 -2.234 5.970) 6.531 15.493 ( -0.620 -4.301 -0.894) 4.437 16.247 ( -2.187 2.083 9.188) 9.672 16.451 ( -0.996 -4.790 11.443) 12.446 16.508 ( -0.672 3.558 1.465) 3.906 16.854 ( -0.384 -2.705 -7.211) 7.711 24.532 ( -0.415 -0.090 0.824) 0.927 24.585 ( -0.250 -0.385 -1.476) 1.546 24.728 ( -0.139 0.893 0.165) 0.918 24.736 ( -0.054 0.773 -0.064) 0.777 26.098 ( 0.404 -2.124 0.556) 2.233 26.162 ( -0.925 -3.254 -0.490) 3.418 26.359 ( 0.292 0.801 3.591) 3.691 26.416 ( 2.907 1.003 1.519) 3.430 26.744 ( -0.542 -0.224 5.093) 5.126 26.911 ( 0.619 -4.534 1.731) 4.893 27.224 ( 0.957 9.449 -8.604) 12.816 27.473 ( 2.808 4.988 -12.577) 13.818 28.793 ( 0.416 1.885 6.458) 6.741 29.012 ( 1.247 -2.742 -4.091) 5.080 29.499 ( -2.863 -2.280 9.809) 10.470 29.697 ( -1.468 -4.615 -1.240) 4.999 ======================= Grid point 102 (53/80) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 1.838 9.828 9.808) 14.005 1.638 ( -10.119 1.146 7.138) 12.436 1.680 ( 8.095 9.866 4.419) 13.506 1.715 ( 2.928 6.271 -3.360) 7.693 1.800 ( -2.190 5.874 2.627) 6.797 1.901 ( -2.323 4.753 -4.732) 7.098 1.965 ( -2.351 6.259 1.652) 6.887 2.131 ( 0.235 6.241 3.655) 7.237 2.183 ( -0.356 3.689 0.147) 3.709 2.232 ( -0.505 7.539 3.471) 8.315 2.306 ( -5.072 0.035 4.138) 6.546 2.439 ( -1.339 3.854 2.927) 5.021 2.460 ( -9.577 10.959 -0.616) 14.567 2.639 ( 3.374 1.918 1.874) 4.310 2.861 ( 3.578 0.123 -5.367) 6.451 2.903 ( 0.219 -1.256 -1.281) 1.807 2.975 ( 1.105 -0.985 -4.303) 4.550 3.020 ( -0.533 -3.946 0.097) 3.983 3.127 ( 1.998 -1.694 1.512) 3.025 3.188 ( 1.171 -5.259 -2.486) 5.934 3.216 ( 0.899 -0.176 -0.175) 0.933 3.309 ( 4.490 2.578 2.942) 5.955 3.353 ( -4.497 1.575 2.122) 5.216 3.436 ( 2.195 0.969 2.442) 3.423 3.551 ( 0.978 3.017 0.751) 3.259 3.615 ( 0.170 1.841 0.907) 2.060 3.758 ( -1.982 5.856 0.221) 6.186 3.790 ( 2.158 3.662 -2.585) 4.975 3.953 ( 2.212 7.385 2.187) 8.013 3.985 ( 4.731 5.056 2.428) 7.337 4.023 ( -2.130 3.767 -2.868) 5.191 4.211 ( -1.014 2.591 -3.009) 4.098 4.350 ( 0.221 4.510 1.858) 4.883 4.452 ( -1.310 6.489 -2.776) 7.178 4.658 ( 0.577 9.459 2.925) 9.918 5.058 ( 2.199 3.913 -0.224) 4.494 5.073 ( 0.922 11.411 -12.628) 17.045 5.222 ( -0.242 0.025 -3.831) 3.839 5.406 ( -2.411 -3.658 8.276) 9.364 5.602 ( 1.565 -5.739 -0.866) 6.011 6.264 ( -0.052 7.947 0.929) 8.001 6.353 ( -0.103 2.234 -1.574) 2.734 6.518 ( 1.340 -1.573 1.511) 2.560 6.687 ( -1.515 -8.525 -2.991) 9.160 6.896 ( 3.948 -7.890 -1.064) 8.887 6.990 ( 0.635 -6.987 0.542) 7.037 7.184 ( 1.900 1.512 10.144) 10.431 7.388 ( -0.824 0.740 1.209) 1.639 7.517 ( 1.887 0.357 -9.453) 9.646 7.638 ( -3.222 -1.196 8.753) 9.403 7.705 ( -0.073 4.432 3.083) 5.399 7.839 ( 1.018 -0.245 -8.204) 8.271 8.012 ( 0.104 2.497 -8.651) 9.005 8.033 ( 1.242 3.302 -10.715) 11.280 8.515 ( 2.092 -3.378 11.459) 12.129 8.680 ( -3.944 -7.838 8.210) 12.016 9.003 ( -0.380 -0.933 -1.349) 1.684 9.182 ( 0.218 -1.624 -6.913) 7.105 9.376 ( -2.330 -2.587 -0.695) 3.550 9.505 ( -0.058 -3.949 -7.564) 8.533 10.445 ( -0.017 -3.566 8.513) 9.229 10.621 ( -0.794 -8.630 4.541) 9.784 11.217 ( -0.478 7.452 2.834) 7.987 11.706 ( 1.015 -5.714 -15.091) 16.168 12.565 ( -0.374 -2.471 6.983) 7.417 12.783 ( 1.053 -5.677 -0.924) 5.847 13.198 ( -0.861 0.028 6.804) 6.859 13.334 ( -1.367 10.846 2.662) 11.251 13.574 ( 1.218 3.580 -7.814) 8.681 13.685 ( 0.004 -10.400 -11.339) 15.386 14.061 ( 0.399 -4.455 1.017) 4.587 14.136 ( 1.108 -6.306 -3.776) 7.433 14.434 ( 4.774 4.512 2.104) 6.897 14.684 ( -0.030 -0.325 -4.800) 4.811 15.329 ( -0.994 -2.153 5.841) 6.304 15.473 ( -0.935 -4.033 -1.044) 4.270 16.226 ( -1.227 2.701 9.507) 9.959 16.426 ( -2.760 -2.236 9.527) 10.168 16.487 ( -1.373 3.220 2.597) 4.359 16.849 ( 1.105 -2.555 -7.157) 7.679 24.526 ( -0.217 -0.041 0.745) 0.777 24.575 ( -0.349 -0.349 -1.479) 1.559 24.728 ( 0.115 0.992 0.246) 1.028 24.735 ( -0.044 0.483 -0.018) 0.486 26.113 ( 0.264 -2.885 0.249) 2.908 26.134 ( -0.676 -3.276 -0.515) 3.384 26.366 ( -0.640 1.529 4.811) 5.089 26.467 ( 1.399 -0.207 1.733) 2.237 26.738 ( -0.841 -0.014 5.733) 5.795 26.934 ( 1.100 -5.515 -0.149) 5.626 27.224 ( 0.417 9.415 -7.622) 12.121 27.526 ( 3.963 3.178 -14.570) 15.430 28.822 ( 1.042 0.894 6.848) 6.984 29.031 ( 0.955 -3.123 -3.711) 4.944 29.436 ( -4.143 0.457 9.880) 10.723 29.671 ( -0.573 -3.835 -1.706) 4.236 ======================= Grid point 103 (54/80) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -5.302 4.828 12.929) 14.784 1.454 ( -4.872 6.390 8.219) 11.494 1.693 ( -3.029 7.732 -5.450) 9.933 1.749 ( -2.119 6.474 -2.162) 7.147 1.817 ( -1.040 8.343 2.466) 8.762 1.873 ( 6.867 4.472 3.547) 8.930 1.975 ( -1.364 7.852 1.376) 8.087 2.085 ( -2.613 5.687 13.636) 15.004 2.138 ( -2.858 6.908 -1.422) 7.610 2.195 ( -3.623 4.897 5.393) 8.136 2.253 ( -0.883 5.908 -0.645) 6.008 2.431 ( 6.265 5.178 -2.434) 8.484 2.458 ( 2.526 4.190 4.147) 6.414 2.718 ( 2.833 0.171 2.137) 3.553 2.844 ( -3.742 -1.633 -3.769) 5.556 2.947 ( 4.437 0.031 -1.943) 4.844 3.007 ( 1.739 0.141 -10.271) 10.418 3.035 ( 1.192 -4.138 0.458) 4.330 3.121 ( -0.764 -0.461 2.087) 2.269 3.185 ( 0.356 -4.230 -2.358) 4.856 3.285 ( 1.687 0.383 3.082) 3.534 3.323 ( 1.331 -0.172 3.026) 3.310 3.370 ( 0.699 0.663 -2.902) 3.058 3.486 ( 1.568 1.495 4.273) 4.791 3.566 ( 0.409 -0.205 -0.973) 1.075 3.635 ( 1.390 4.703 0.697) 4.953 3.731 ( 0.483 2.216 -1.446) 2.690 3.812 ( 0.436 3.054 -2.714) 4.109 3.947 ( -4.442 4.342 -2.358) 6.644 3.986 ( 0.330 10.437 2.071) 10.646 4.085 ( 2.951 3.177 0.253) 4.343 4.156 ( -2.533 3.493 -3.128) 5.330 4.322 ( -2.494 8.100 0.170) 8.477 4.419 ( -1.027 8.256 2.480) 8.681 4.680 ( 0.949 7.232 -0.109) 7.295 5.056 ( -1.647 6.610 -3.950) 7.875 5.090 ( 1.475 4.980 -6.369) 8.218 5.200 ( -1.228 -0.594 -3.779) 4.018 5.375 ( -1.256 -2.739 6.789) 7.427 5.635 ( 1.302 -5.747 0.116) 5.894 6.266 ( -0.016 7.907 1.558) 8.059 6.343 ( -0.424 2.223 -2.444) 3.331 6.523 ( -1.030 -2.769 1.440) 3.286 6.640 ( -2.990 -5.431 -2.114) 6.550 6.933 ( 0.299 -7.311 -0.253) 7.321 6.987 ( -1.066 -6.708 -0.713) 6.829 7.228 ( 0.048 0.226 8.548) 8.551 7.367 ( -1.047 0.641 1.159) 1.688 7.494 ( -2.544 0.875 -5.530) 6.150 7.627 ( 1.014 -3.675 6.320) 7.381 7.710 ( 0.150 5.306 3.503) 6.360 7.827 ( -0.735 1.040 -8.058) 8.158 7.993 ( 0.179 5.361 -9.569) 10.970 8.033 ( 0.111 -0.007 -9.253) 9.253 8.533 ( -2.777 -4.189 10.093) 11.275 8.673 ( 2.363 -6.776 9.802) 12.148 9.019 ( 1.769 -0.952 -2.228) 2.999 9.198 ( 2.491 -2.311 -6.838) 7.636 9.346 ( -0.067 -1.707 -0.423) 1.760 9.506 ( 1.404 -3.867 -7.636) 8.673 10.453 ( -0.745 -3.456 8.578) 9.278 10.611 ( -0.821 -8.471 4.559) 9.655 11.222 ( 0.421 7.341 2.910) 7.908 11.702 ( 1.262 -5.840 -15.165) 16.300 12.559 ( -1.319 -2.561 6.520) 7.128 12.800 ( 0.552 -5.539 -0.713) 5.612 13.192 ( -0.787 0.491 7.016) 7.077 13.321 ( -0.237 10.530 2.871) 10.917 13.577 ( 0.348 4.337 -7.629) 8.782 13.670 ( 0.454 -11.404 -10.970) 15.830 14.029 ( -1.944 -3.867 0.877) 4.416 14.203 ( 4.208 -7.263 -4.914) 9.726 14.509 ( 1.530 2.731 2.401) 3.945 14.614 ( -5.593 0.305 -5.877) 8.119 15.332 ( 0.314 -1.982 5.946) 6.276 15.463 ( 0.241 -3.505 -0.622) 3.568 16.237 ( 0.713 1.987 10.371) 10.584 16.387 ( -2.494 -0.999 10.338) 10.681 16.471 ( -0.373 4.057 1.701) 4.415 16.868 ( 1.712 -2.811 -6.667) 7.436 24.527 ( 0.169 -0.123 0.818) 0.844 24.570 ( 0.158 -0.356 -1.388) 1.441 24.732 ( 0.188 1.005 0.141) 1.033 24.734 ( 0.005 0.530 -0.053) 0.532 26.085 ( -1.611 -2.292 0.667) 2.880 26.163 ( 2.281 -3.345 -0.983) 4.167 26.342 ( -2.468 2.097 4.784) 5.777 26.474 ( -1.031 -0.758 2.352) 2.678 26.733 ( -0.625 0.121 5.892) 5.926 26.946 ( 0.058 -5.746 -0.357) 5.757 27.217 ( 0.273 9.395 -7.512) 12.032 27.558 ( 1.355 1.909 -16.382) 16.548 28.842 ( -0.644 -0.079 6.233) 6.266 29.031 ( -0.293 -3.122 -3.921) 5.021 29.398 ( -0.874 2.062 11.878) 12.087 29.675 ( 1.288 -3.735 -1.755) 4.323 ======================= Grid point 104 (55/80) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -7.411 6.680 15.425) 18.370 1.418 ( -2.187 12.360 11.197) 16.820 1.640 ( -0.810 4.562 -8.629) 9.794 1.727 ( 0.860 7.830 -2.232) 8.187 1.855 ( -2.037 3.346 0.819) 4.002 1.903 ( 3.096 6.778 0.065) 7.452 1.979 ( 0.546 1.089 2.188) 2.505 2.078 ( 1.030 11.203 4.666) 12.179 2.118 ( -0.310 1.222 7.205) 7.314 2.199 ( 2.510 10.288 6.426) 12.386 2.262 ( 1.887 4.543 -2.556) 5.544 2.538 ( 3.143 3.074 7.203) 8.439 2.564 ( 4.926 5.070 -0.087) 7.069 2.763 ( 0.209 0.332 2.044) 2.081 2.774 ( 0.357 0.529 1.019) 1.203 2.987 ( 0.098 1.992 -5.381) 5.739 3.019 ( -0.600 -2.351 -0.565) 2.491 3.052 ( 1.404 -1.001 -2.443) 2.990 3.148 ( -0.686 0.852 -2.524) 2.751 3.172 ( 0.696 -0.929 -2.567) 2.817 3.260 ( -2.269 6.690 -6.545) 9.630 3.303 ( -1.701 2.417 8.153) 8.672 3.411 ( -1.486 -2.078 2.795) 3.787 3.532 ( 3.921 -0.970 1.381) 4.269 3.564 ( -0.472 -0.889 -2.575) 2.765 3.618 ( -1.922 1.498 1.162) 2.700 3.750 ( -0.519 -0.148 -2.854) 2.905 3.811 ( -5.050 8.129 -2.354) 9.855 3.831 ( -1.429 0.465 1.862) 2.393 3.985 ( 0.065 7.058 1.317) 7.180 4.099 ( -0.460 -0.437 -3.184) 3.247 4.129 ( 0.211 4.509 -1.198) 4.670 4.285 ( -0.614 11.788 -1.715) 11.928 4.441 ( 1.978 10.354 3.303) 11.046 4.683 ( -0.461 6.505 -3.479) 7.391 4.974 ( -5.509 4.623 -0.740) 7.229 5.100 ( 1.186 1.339 -5.272) 5.567 5.181 ( 0.454 4.016 -7.386) 8.419 5.390 ( 1.425 -1.407 5.329) 5.693 5.645 ( -0.575 -6.817 1.211) 6.948 6.268 ( -0.117 7.483 1.292) 7.594 6.333 ( -0.038 2.199 -2.609) 3.412 6.500 ( -0.506 -2.852 -0.663) 2.972 6.556 ( -4.193 -1.981 -0.695) 4.690 6.901 ( -3.499 -6.510 0.141) 7.392 6.965 ( -0.218 -7.132 -3.263) 7.846 7.212 ( -2.807 1.300 11.314) 11.729 7.359 ( 0.050 0.527 1.725) 1.804 7.445 ( -0.877 -0.089 -3.029) 3.154 7.663 ( 1.095 -3.305 4.059) 5.348 7.722 ( -0.010 6.062 4.795) 7.729 7.797 ( -0.396 1.378 -6.225) 6.388 7.993 ( 1.183 6.117 -10.940) 12.590 8.015 ( 0.207 -0.120 -7.969) 7.972 8.493 ( -2.398 -2.106 9.682) 10.195 8.734 ( 1.390 -8.568 4.997) 10.016 9.058 ( 2.023 -2.676 -0.306) 3.369 9.228 ( 0.859 -2.392 -5.272) 5.852 9.384 ( 3.348 -2.567 0.279) 4.228 9.531 ( 1.997 -5.437 -6.605) 8.785 10.445 ( -1.437 -4.286 8.864) 9.951 10.607 ( -0.308 -9.114 4.259) 10.065 11.239 ( 0.571 7.488 2.579) 7.940 11.705 ( 1.492 -5.802 -15.022) 16.173 12.540 ( -1.292 -2.475 6.021) 6.637 12.797 ( -0.645 -5.182 -1.517) 5.438 13.192 ( -0.490 0.002 7.908) 7.923 13.340 ( 1.695 10.140 1.623) 10.408 13.557 ( -1.081 5.272 -6.665) 8.566 13.670 ( 1.519 -11.722 -11.003) 16.149 14.015 ( 0.673 -2.442 0.617) 2.607 14.226 ( -2.977 -7.644 -3.712) 9.004 14.494 ( -3.648 1.559 1.102) 4.117 14.507 ( -0.512 4.229 -4.722) 6.359 15.351 ( 0.265 -2.057 5.996) 6.344 15.479 ( 1.156 -3.589 -0.274) 3.781 16.276 ( 0.514 0.581 9.931) 9.961 16.374 ( -0.111 -2.051 12.963) 13.125 16.480 ( 0.978 4.603 0.536) 4.736 16.886 ( 0.941 -3.146 -6.383) 7.178 24.533 ( 0.236 -0.222 0.936) 0.990 24.577 ( 0.677 -0.420 -1.348) 1.566 24.733 ( -0.036 0.712 -0.082) 0.718 24.737 ( 0.111 1.063 -0.034) 1.070 26.068 ( -0.045 -1.075 1.306) 1.692 26.200 ( 0.767 -3.586 -1.868) 4.116 26.300 ( -1.324 2.794 4.327) 5.318 26.438 ( -2.628 -0.640 2.474) 3.666 26.733 ( -0.294 0.138 5.609) 5.619 26.935 ( -1.077 -5.209 1.000) 5.412 27.213 ( 0.675 9.364 -8.268) 12.510 27.525 ( -1.461 3.053 -15.698) 16.058 28.818 ( -2.220 0.791 5.654) 6.125 29.013 ( -0.530 -2.734 -4.341) 5.158 29.440 ( 2.297 -0.118 12.731) 12.937 29.707 ( 1.590 -4.523 -1.249) 4.954 ======================= Grid point 105 (56/80) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 3.332 10.312 7.979) 13.458 1.570 ( 2.858 0.643 2.392) 3.782 1.776 ( 1.013 6.257 -2.875) 6.960 1.834 ( 0.116 2.695 2.250) 3.512 1.886 ( -1.706 4.578 4.013) 6.323 1.977 ( -1.581 -0.054 6.749) 6.932 2.062 ( 2.241 4.401 2.260) 5.431 2.166 ( 3.851 3.686 -4.048) 6.693 2.223 ( -3.954 6.035 -2.266) 7.562 2.369 ( 2.690 2.838 -4.481) 5.947 2.445 ( 0.336 2.081 1.771) 2.753 2.613 ( 0.978 -0.737 0.451) 1.305 2.670 ( 0.538 3.373 6.198) 7.077 2.778 ( 1.386 -1.393 3.498) 4.012 2.882 ( -1.438 2.093 -1.026) 2.739 2.941 ( -1.757 -2.911 -3.462) 4.852 2.942 ( -2.804 0.012 0.920) 2.951 3.024 ( -0.635 -0.294 0.236) 0.738 3.117 ( -2.384 1.564 -2.106) 3.545 3.191 ( -1.284 0.190 -3.047) 3.312 3.305 ( -0.014 0.976 2.535) 2.716 3.407 ( 0.627 2.664 2.547) 3.738 3.480 ( 0.977 8.253 4.241) 9.330 3.511 ( -4.076 2.520 -4.569) 6.621 3.561 ( 0.300 0.276 1.395) 1.453 3.655 ( 3.000 3.316 1.825) 4.830 3.743 ( -0.640 -0.416 2.766) 2.870 3.761 ( -0.564 -0.486 1.444) 1.625 3.908 ( -2.284 4.002 2.396) 5.194 3.976 ( -4.341 -0.024 1.837) 4.714 4.082 ( 2.324 -0.664 -3.644) 4.373 4.199 ( 0.105 -0.086 -4.612) 4.614 4.521 ( -0.971 12.373 -3.117) 12.797 4.607 ( -0.513 6.358 -4.087) 7.575 4.919 ( 2.042 13.658 3.864) 14.340 5.016 ( 0.913 4.740 2.409) 5.395 5.159 ( 4.174 0.374 -3.683) 5.579 5.221 ( 1.040 -2.553 0.897) 2.898 5.449 ( -0.357 -0.992 -1.542) 1.868 5.476 ( -1.973 -1.318 -1.608) 2.867 6.370 ( 0.823 2.425 -2.273) 3.424 6.384 ( -0.699 2.990 -3.211) 4.443 6.472 ( -1.177 -0.663 0.699) 1.521 6.490 ( 3.180 -2.777 -2.632) 4.975 6.729 ( -2.751 -2.363 0.883) 3.733 6.834 ( 0.027 -5.273 -2.543) 5.854 7.241 ( -1.722 4.563 12.260) 13.195 7.359 ( 0.404 -0.718 3.410) 3.508 7.405 ( 1.532 -3.437 -2.351) 4.437 7.562 ( -0.445 -7.560 8.873) 11.666 7.816 ( 0.636 1.868 -6.415) 6.711 7.897 ( -0.041 7.105 -1.385) 7.239 7.977 ( 0.549 -0.624 -6.486) 6.539 8.114 ( 1.881 1.703 -6.718) 7.182 8.474 ( -1.135 1.793 8.155) 8.427 8.592 ( -1.095 -6.248 7.526) 9.842 9.015 ( -0.280 -1.444 -3.310) 3.622 9.169 ( 0.121 -4.724 -6.377) 7.937 9.357 ( 0.819 -2.828 -2.177) 3.662 9.439 ( 0.487 -4.589 -6.597) 8.051 10.363 ( -1.009 -1.887 7.764) 8.054 10.450 ( -0.194 -6.585 5.393) 8.514 11.393 ( 0.199 7.217 -2.934) 7.794 11.610 ( 1.212 -4.558 -11.240) 12.190 12.506 ( -0.416 -0.325 7.279) 7.298 12.650 ( -1.037 -7.044 4.212) 8.273 13.202 ( -0.004 2.055 -0.643) 2.153 13.415 ( 0.654 -7.123 -6.205) 9.470 13.615 ( 1.655 5.221 -4.757) 7.254 13.654 ( 0.740 5.168 -5.242) 7.398 14.014 ( 0.724 -2.024 0.361) 2.180 14.043 ( -2.180 -3.562 -1.130) 4.326 14.476 ( -2.047 3.836 1.726) 4.678 14.580 ( 2.711 0.069 -3.742) 4.621 15.324 ( -0.631 -0.872 4.278) 4.411 15.411 ( 0.043 -4.458 0.276) 4.466 16.300 ( -1.215 1.395 10.566) 10.727 16.359 ( -0.061 -2.020 13.840) 13.987 16.595 ( 0.541 5.098 -2.116) 5.546 16.800 ( -0.166 -4.794 -5.772) 7.505 24.540 ( -0.007 0.490 0.684) 0.842 24.572 ( 0.304 -0.924 -0.796) 1.257 24.746 ( -0.096 0.651 -0.166) 0.679 24.752 ( -0.075 0.440 -0.403) 0.602 26.074 ( 0.239 0.107 1.246) 1.274 26.130 ( -0.847 -2.475 -1.421) 2.977 26.354 ( 0.881 1.264 4.119) 4.398 26.391 ( -0.419 -0.384 2.813) 2.870 26.753 ( -0.382 1.350 5.845) 6.011 26.842 ( -0.850 -3.056 5.282) 6.161 27.380 ( 1.425 7.121 -13.370) 15.215 27.525 ( 0.609 0.380 -15.255) 15.272 28.835 ( -0.608 2.656 3.609) 4.522 28.948 ( 0.119 -2.928 -1.937) 3.512 29.492 ( 0.070 1.374 8.229) 8.343 29.622 ( -0.319 -4.716 1.202) 4.877 ======================= Grid point 106 (57/80) ======================= q-point: ( 0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 4.614 10.903 7.608) 14.073 1.664 ( 5.560 1.833 1.557) 6.057 1.711 ( -3.528 3.451 1.278) 5.098 1.871 ( -5.935 -0.801 3.742) 7.061 1.903 ( 3.231 4.741 -0.534) 5.762 1.917 ( 0.668 0.504 3.769) 3.860 2.152 ( -2.032 6.263 -0.167) 6.586 2.163 ( 7.865 6.712 -0.825) 10.373 2.202 ( -1.249 3.679 -1.784) 4.275 2.386 ( -0.733 4.154 0.539) 4.253 2.452 ( -1.753 2.707 4.519) 5.552 2.566 ( -3.655 -1.245 -1.842) 4.278 2.672 ( -3.271 1.645 1.580) 3.988 2.781 ( -1.507 -0.037 -0.634) 1.636 2.829 ( 0.547 1.829 -0.811) 2.074 2.901 ( 1.825 -6.052 -3.313) 7.137 2.927 ( -4.073 2.985 5.529) 7.488 2.986 ( -3.006 -2.391 5.149) 6.424 3.069 ( -1.218 2.810 -5.074) 5.927 3.145 ( -1.888 -0.649 -1.882) 2.743 3.300 ( -3.269 5.516 1.400) 6.564 3.348 ( 0.148 3.382 0.056) 3.386 3.452 ( -2.802 -0.235 -3.139) 4.214 3.483 ( -6.323 4.457 4.985) 9.203 3.550 ( 4.034 0.643 2.116) 4.600 3.661 ( -1.191 3.436 -1.071) 3.791 3.719 ( 0.328 -4.418 -3.526) 5.662 3.876 ( 1.720 -2.816 -0.165) 3.304 3.909 ( 4.671 5.274 4.791) 8.520 3.976 ( 5.132 5.928 1.936) 8.076 4.124 ( 1.219 -1.040 -1.732) 2.360 4.218 ( 2.350 -0.377 -0.713) 2.484 4.501 ( -0.259 12.283 -0.934) 12.321 4.597 ( 0.032 6.630 -4.676) 8.113 4.948 ( -0.197 15.643 5.286) 16.513 5.059 ( 1.876 2.639 2.269) 3.954 5.222 ( 1.478 -0.020 -3.586) 3.879 5.231 ( 0.460 -0.813 -1.754) 1.988 5.428 ( -1.453 2.079 -2.974) 3.909 5.455 ( 0.928 -3.941 -0.286) 4.059 6.379 ( 1.066 3.351 -4.685) 5.858 6.388 ( 0.761 1.599 -0.668) 1.892 6.469 ( 0.500 -0.216 1.186) 1.305 6.542 ( 1.493 -5.932 -3.744) 7.172 6.715 ( 1.774 -1.294 2.440) 3.283 6.843 ( 1.088 -5.589 -0.728) 5.740 7.235 ( -0.854 5.544 12.792) 13.968 7.370 ( -0.070 -1.585 3.144) 3.521 7.436 ( 1.863 -3.741 -5.307) 6.755 7.564 ( -1.124 -7.377 9.933) 12.423 7.824 ( 1.222 1.551 -6.692) 6.978 7.888 ( -0.422 7.622 -1.692) 7.819 7.980 ( 0.991 -1.142 -7.774) 7.920 8.124 ( 0.232 1.241 -7.093) 7.205 8.473 ( -0.281 1.789 8.872) 9.055 8.577 ( -1.670 -5.932 8.018) 10.113 8.994 ( -0.958 -0.990 -3.553) 3.811 9.150 ( -0.664 -4.546 -6.739) 8.156 9.351 ( -0.850 -2.641 -2.192) 3.536 9.431 ( 0.023 -4.338 -6.783) 8.051 10.370 ( 0.272 -1.646 7.668) 7.847 10.462 ( 0.309 -6.597 5.559) 8.633 11.382 ( -0.607 7.514 -2.918) 8.083 11.610 ( 0.676 -4.711 -11.353) 12.310 12.517 ( 0.063 -0.745 7.781) 7.817 12.643 ( -0.296 -6.719 4.317) 7.992 13.203 ( 0.209 1.915 -0.699) 2.049 13.417 ( 0.555 -7.284 -5.967) 9.432 13.612 ( -0.202 7.053 -4.455) 8.345 13.693 ( 2.461 4.787 -7.149) 8.949 13.967 ( -1.775 -2.747 0.047) 3.270 14.037 ( -1.070 -5.315 -0.445) 5.440 14.472 ( 1.519 5.857 1.567) 6.250 14.640 ( 2.981 -1.539 -3.076) 4.551 15.312 ( -1.149 -0.760 4.320) 4.534 15.404 ( -0.623 -4.538 0.171) 4.583 16.289 ( -1.527 2.171 10.475) 10.806 16.377 ( -0.700 -2.799 13.587) 13.890 16.593 ( -0.394 4.827 -2.175) 5.309 16.784 ( -0.126 -4.336 -6.054) 7.448 24.537 ( -0.295 0.607 0.527) 0.856 24.572 ( -0.187 -0.888 -0.937) 1.304 24.743 ( -0.138 0.610 -0.060) 0.628 24.749 ( -0.195 0.402 -0.237) 0.506 26.072 ( -0.325 -0.557 0.652) 0.917 26.107 ( -1.218 -2.263 -0.440) 2.608 26.377 ( 0.777 1.082 3.924) 4.144 26.419 ( 1.820 -0.580 2.890) 3.464 26.753 ( -0.551 1.181 5.774) 5.920 26.839 ( -0.279 -3.016 5.081) 5.916 27.387 ( 1.456 7.064 -13.481) 15.289 27.528 ( 2.193 0.517 -14.965) 15.133 28.838 ( 0.244 2.670 3.895) 4.729 28.954 ( 0.732 -3.098 -1.765) 3.640 29.491 ( -1.497 1.215 7.541) 7.783 29.609 ( -0.988 -4.252 1.143) 4.513 ======================= Grid point 107 (58/80) ======================= q-point: ( 0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -2.765 8.143 10.916) 13.897 1.627 ( -8.308 -0.609 8.996) 12.261 1.765 ( 4.627 1.496 0.170) 4.866 1.822 ( 4.102 0.303 0.728) 4.177 1.923 ( -1.318 4.950 0.531) 5.150 1.970 ( 1.094 3.175 -1.681) 3.756 2.053 ( -6.997 4.392 1.941) 8.486 2.193 ( 1.926 0.694 -2.776) 3.449 2.325 ( 2.905 4.708 1.993) 5.880 2.339 ( -4.408 8.022 6.975) 11.508 2.408 ( 3.440 8.007 4.479) 9.798 2.539 ( -0.372 4.867 1.907) 5.240 2.588 ( -5.188 1.617 -0.590) 5.466 2.723 ( -2.812 6.079 -0.008) 6.698 2.813 ( -3.516 -2.383 2.260) 4.811 2.889 ( 0.843 -4.772 -0.065) 4.846 2.919 ( 3.172 -1.498 -2.223) 4.153 3.001 ( 0.937 -0.714 -0.597) 1.321 3.049 ( 2.107 -2.937 -5.597) 6.663 3.121 ( -1.227 -1.943 -1.821) 2.932 3.234 ( -1.529 1.846 -0.781) 2.521 3.351 ( -1.325 -1.292 -0.677) 1.970 3.386 ( -0.403 3.601 -2.279) 4.280 3.469 ( 2.281 3.200 4.737) 6.155 3.615 ( -0.855 2.837 -5.435) 6.190 3.643 ( 2.641 0.508 2.220) 3.487 3.732 ( 1.596 -3.609 -5.833) 7.042 3.837 ( -1.803 -1.963 -3.670) 4.536 4.047 ( 1.372 6.787 2.991) 7.543 4.076 ( 5.153 4.035 3.632) 7.486 4.146 ( 1.832 3.387 0.267) 3.860 4.251 ( -0.169 -0.025 1.205) 1.217 4.511 ( 1.171 11.053 -0.280) 11.118 4.590 ( 0.103 6.961 -3.372) 7.735 4.934 ( -1.910 16.084 6.490) 17.449 5.080 ( -0.133 0.076 3.637) 3.640 5.193 ( -2.434 -3.149 3.313) 5.178 5.240 ( -1.025 -0.027 -4.305) 4.426 5.401 ( 0.098 4.727 -4.811) 6.745 5.497 ( 2.556 -3.339 -2.242) 4.765 6.392 ( -0.102 1.678 -1.069) 1.992 6.399 ( 1.158 4.782 -4.040) 6.366 6.481 ( -0.043 -1.665 1.726) 2.399 6.553 ( 0.765 -4.843 -2.196) 5.372 6.776 ( 2.507 -3.506 2.439) 4.952 6.868 ( 0.957 -5.434 0.694) 5.562 7.251 ( 0.085 4.881 11.930) 12.890 7.365 ( -0.865 -1.758 3.358) 3.888 7.456 ( 0.981 -4.738 -7.088) 8.582 7.544 ( -2.353 -6.317 9.511) 11.657 7.835 ( 0.712 2.192 -5.739) 6.184 7.880 ( 0.168 7.357 -2.850) 7.892 7.988 ( 0.966 -2.340 -8.316) 8.693 8.103 ( -0.801 0.821 -7.270) 7.360 8.492 ( 0.304 0.738 9.050) 9.085 8.556 ( -1.418 -4.090 9.082) 10.061 8.978 ( 0.381 -0.579 -4.474) 4.527 9.128 ( -0.062 -4.610 -7.459) 8.769 9.327 ( -0.885 -1.287 -2.265) 2.752 9.422 ( 0.320 -4.173 -7.038) 8.189 10.392 ( 0.300 -1.559 7.629) 7.792 10.473 ( -0.308 -6.055 5.721) 8.336 11.366 ( -0.258 7.503 -2.710) 7.981 11.602 ( 0.545 -4.973 -11.595) 12.628 12.528 ( -0.419 -0.867 7.911) 7.969 12.652 ( 0.273 -6.856 4.975) 8.475 13.207 ( 0.242 1.961 -0.951) 2.193 13.416 ( 0.350 -6.938 -5.511) 8.867 13.599 ( -0.466 8.460 -4.107) 9.416 13.705 ( 0.407 5.689 -7.660) 9.550 13.970 ( 0.480 -4.670 -0.272) 4.702 14.002 ( -0.349 -7.091 -2.040) 7.387 14.525 ( 2.523 4.763 2.231) 5.834 14.668 ( -0.091 -1.636 -2.582) 3.058 15.299 ( -0.570 -0.439 4.236) 4.296 15.391 ( -0.538 -4.203 0.105) 4.238 16.278 ( -1.221 2.632 10.587) 10.977 16.375 ( -1.670 -2.506 13.048) 13.391 16.577 ( -0.505 5.257 -2.346) 5.779 16.780 ( 0.776 -4.408 -6.017) 7.499 24.532 ( -0.239 0.611 0.414) 0.776 24.564 ( -0.318 -0.762 -1.018) 1.311 24.742 ( 0.087 0.492 -0.001) 0.499 24.745 ( -0.066 0.413 -0.091) 0.428 26.072 ( -0.233 -1.278 0.364) 1.349 26.085 ( -0.199 -1.789 -0.357) 1.835 26.394 ( -0.172 1.342 4.669) 4.862 26.450 ( 0.488 -1.329 3.152) 3.456 26.751 ( -0.619 1.354 5.941) 6.125 26.847 ( 0.112 -3.535 4.285) 5.555 27.390 ( 1.023 7.346 -13.086) 15.042 27.554 ( 2.558 -0.516 -15.714) 15.929 28.853 ( 0.381 2.193 4.089) 4.656 28.966 ( 0.563 -3.334 -1.589) 3.736 29.465 ( -1.959 2.356 7.349) 7.962 29.594 ( -0.455 -3.887 0.947) 4.027 ======================= Grid point 108 (59/80) ======================= q-point: (-0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -6.425 4.674 12.790) 15.057 1.533 ( -1.596 0.771 9.090) 9.261 1.792 ( -4.425 3.042 0.712) 5.417 1.843 ( -0.488 -0.624 0.517) 0.947 1.910 ( 1.856 6.774 -3.821) 7.995 1.977 ( -0.324 4.481 5.828) 7.359 2.017 ( 3.365 -0.990 0.682) 3.573 2.169 ( -4.991 1.683 5.296) 7.470 2.290 ( -0.080 3.702 -0.094) 3.704 2.332 ( -3.183 10.991 1.291) 11.515 2.427 ( -2.291 12.847 3.326) 13.467 2.555 ( 3.676 3.562 -0.145) 5.120 2.581 ( 3.114 6.087 4.164) 8.006 2.708 ( 0.793 -0.934 4.036) 4.217 2.785 ( -0.489 -2.651 -0.174) 2.702 2.921 ( 2.371 -6.331 3.714) 7.714 2.990 ( 1.609 2.740 -3.329) 4.602 3.017 ( 3.847 -0.164 -9.815) 10.544 3.101 ( 2.760 -3.833 -4.725) 6.681 3.114 ( 1.542 -0.232 -1.006) 1.855 3.257 ( 2.807 -1.203 2.844) 4.173 3.302 ( -1.138 -0.991 -2.599) 3.006 3.419 ( 1.203 1.210 0.093) 1.708 3.512 ( 0.714 -0.734 3.572) 3.716 3.577 ( -0.310 3.291 -7.481) 8.179 3.708 ( 1.343 2.492 -0.951) 2.986 3.748 ( 0.539 0.232 -4.241) 4.281 3.806 ( 0.786 -2.743 -5.162) 5.898 4.025 ( -3.227 4.878 3.338) 6.734 4.123 ( -0.585 2.800 -0.021) 2.860 4.168 ( -2.533 4.584 2.542) 5.822 4.226 ( -0.489 2.279 0.088) 2.332 4.535 ( 0.908 11.571 -1.710) 11.732 4.596 ( 0.984 7.859 -0.260) 7.924 4.903 ( -2.005 14.019 5.758) 15.288 5.078 ( -0.450 -0.126 3.603) 3.633 5.140 ( -4.471 -3.975 4.178) 7.297 5.188 ( -1.390 -0.975 -0.995) 1.968 5.417 ( 1.866 4.977 -5.756) 7.835 5.529 ( 0.744 -3.224 -2.363) 4.066 6.378 ( -0.747 2.166 -1.682) 2.843 6.412 ( 0.576 5.097 -3.857) 6.418 6.471 ( -1.002 -1.861 1.605) 2.654 6.556 ( -0.763 -3.379 -0.999) 3.606 6.807 ( 0.129 -4.479 1.821) 4.837 6.872 ( -0.662 -5.005 -0.137) 5.050 7.267 ( -0.593 3.344 9.902) 10.468 7.352 ( -0.871 -0.865 4.102) 4.282 7.436 ( -2.031 -4.748 -3.471) 6.222 7.529 ( -0.009 -6.105 7.144) 9.397 7.833 ( 0.055 2.621 -5.265) 5.881 7.884 ( 0.540 7.103 -2.575) 7.575 7.989 ( 0.475 -2.753 -7.726) 8.216 8.078 ( -0.149 1.167 -7.051) 7.149 8.496 ( -1.197 0.323 8.107) 8.201 8.568 ( 0.673 -3.592 9.639) 10.309 8.993 ( 1.538 -0.845 -4.766) 5.079 9.132 ( 1.808 -4.945 -7.591) 9.238 9.315 ( 0.265 -0.377 -2.278) 2.324 9.423 ( 0.955 -4.312 -7.029) 8.302 10.399 ( -1.004 -1.746 7.654) 7.915 10.468 ( -1.089 -5.731 5.685) 8.146 11.367 ( 0.761 7.252 -2.576) 7.733 11.597 ( 1.008 -4.993 -11.635) 12.701 12.525 ( -1.189 -0.551 7.487) 7.601 12.665 ( -0.047 -7.284 5.305) 9.011 13.208 ( 0.027 2.138 -1.074) 2.393 13.413 ( 0.318 -6.405 -5.340) 8.345 13.580 ( -0.387 7.701 -3.974) 8.674 13.699 ( 0.076 5.870 -7.201) 9.290 13.947 ( -0.607 -4.150 0.098) 4.195 14.049 ( 3.197 -7.854 -3.278) 9.091 14.558 ( -0.081 2.598 2.637) 3.703 14.627 ( -3.054 0.177 -2.761) 4.120 15.306 ( 0.371 -0.430 4.178) 4.216 15.388 ( 0.327 -3.860 0.179) 3.878 16.279 ( -0.438 2.260 10.999) 11.238 16.359 ( -1.946 -1.656 12.675) 12.930 16.571 ( 0.367 5.731 -2.337) 6.200 16.792 ( 1.246 -4.845 -5.748) 7.620 24.531 ( 0.076 0.499 0.504) 0.714 24.559 ( 0.091 -0.701 -0.914) 1.156 24.744 ( 0.093 0.469 -0.080) 0.485 24.748 ( 0.272 0.457 -0.159) 0.555 26.059 ( -0.430 -0.396 0.426) 0.724 26.105 ( 1.609 -2.497 -0.746) 3.063 26.381 ( -1.835 1.798 4.848) 5.486 26.447 ( -1.235 -1.686 3.499) 4.076 26.750 ( -0.524 1.557 6.025) 6.245 26.853 ( -0.228 -3.807 4.086) 5.589 27.385 ( 0.729 7.551 -12.830) 14.905 27.566 ( 1.219 -1.272 -16.377) 16.472 28.860 ( -0.501 1.818 3.881) 4.315 28.967 ( -0.221 -3.280 -1.671) 3.688 29.450 ( -0.583 3.226 7.975) 8.623 29.597 ( 0.603 -4.081 0.889) 4.219 ======================= Grid point 109 (60/80) ======================= q-point: (-0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -2.970 8.063 11.410) 14.284 1.537 ( 0.065 -0.385 6.440) 6.452 1.742 ( 0.532 4.780 -3.661) 6.045 1.829 ( -0.149 0.768 2.307) 2.436 1.931 ( -0.921 7.299 0.682) 7.389 2.002 ( 2.140 2.220 3.768) 4.869 2.043 ( -6.403 3.930 6.572) 9.982 2.093 ( 3.551 0.350 1.115) 3.738 2.281 ( -0.769 5.048 -4.988) 7.138 2.320 ( 1.669 4.879 -0.974) 5.248 2.423 ( 1.450 8.649 2.760) 9.194 2.608 ( -1.196 2.716 3.985) 4.969 2.637 ( 2.735 2.188 2.775) 4.469 2.742 ( 1.238 -2.331 2.357) 3.539 2.811 ( 4.115 4.166 2.712) 6.453 2.963 ( 0.736 -3.298 3.470) 4.843 3.012 ( -0.880 -0.931 -8.802) 8.895 3.034 ( 0.058 -0.975 -1.797) 2.045 3.140 ( 0.848 -0.243 -3.209) 3.328 3.175 ( 3.561 0.938 -2.708) 4.571 3.289 ( 0.990 -0.233 -2.026) 2.267 3.342 ( 3.344 -1.243 1.263) 3.785 3.440 ( 1.613 4.220 3.189) 5.530 3.532 ( 1.338 -1.363 2.252) 2.953 3.580 ( 1.744 2.173 -2.884) 4.010 3.642 ( -5.621 3.547 -1.480) 6.810 3.756 ( -0.376 1.110 -3.000) 3.221 3.820 ( -1.691 -1.427 1.163) 2.500 3.962 ( -2.420 4.670 2.758) 5.939 4.062 ( -4.354 0.131 1.414) 4.580 4.098 ( -2.914 3.652 -3.411) 5.785 4.216 ( -0.928 2.373 -1.526) 2.970 4.537 ( 0.001 12.049 -3.992) 12.693 4.619 ( 0.562 6.769 -1.259) 6.908 4.885 ( -0.068 12.199 3.913) 12.811 5.039 ( -3.839 1.695 4.127) 5.886 5.096 ( 1.675 -0.095 0.138) 1.683 5.194 ( 1.112 -2.599 1.314) 3.118 5.443 ( 1.328 2.486 -3.822) 4.748 5.517 ( -1.417 -3.034 -1.799) 3.802 6.365 ( -0.079 2.279 -2.170) 3.148 6.408 ( -0.401 4.745 -3.954) 6.190 6.457 ( 0.016 -1.783 -0.017) 1.783 6.515 ( -2.674 -1.931 0.037) 3.298 6.787 ( -2.321 -4.127 0.698) 4.786 6.849 ( -0.981 -4.691 -2.229) 5.285 7.259 ( -1.761 3.178 10.402) 11.019 7.348 ( -0.131 -0.216 4.134) 4.142 7.397 ( -0.762 -3.703 -0.881) 3.881 7.550 ( 0.377 -7.073 6.953) 9.925 7.821 ( -0.084 2.118 -5.967) 6.333 7.893 ( 0.552 7.657 -0.901) 7.730 7.981 ( 0.173 -2.145 -7.003) 7.326 8.083 ( 1.781 1.806 -6.685) 7.150 8.485 ( -1.188 1.281 7.673) 7.869 8.592 ( -0.151 -5.314 8.556) 10.073 9.013 ( 1.034 -1.172 -4.182) 4.465 9.161 ( 1.752 -5.279 -6.813) 8.795 9.332 ( 1.593 -1.214 -2.213) 2.985 9.433 ( 1.107 -4.551 -6.773) 8.235 10.381 ( -1.810 -1.939 7.732) 8.174 10.454 ( -1.073 -6.083 5.489) 8.264 11.383 ( 1.076 7.073 -2.704) 7.649 11.602 ( 1.397 -4.734 -11.419) 12.440 12.511 ( -1.214 -0.213 7.089) 7.195 12.664 ( -0.890 -7.419 4.829) 8.897 13.205 ( -0.115 2.197 -0.874) 2.367 13.412 ( 0.558 -6.523 -5.787) 8.738 13.581 ( 1.371 6.200 -4.133) 7.577 13.676 ( -1.033 5.094 -5.880) 7.848 13.967 ( 2.296 -1.954 -0.085) 3.016 14.083 ( 0.034 -6.752 -2.246) 7.116 14.528 ( -2.812 2.156 2.349) 4.251 14.569 ( -1.219 1.630 -3.454) 4.010 15.321 ( 0.189 -0.706 4.169) 4.232 15.401 ( 0.702 -4.060 0.323) 4.133 16.295 ( -0.128 1.285 11.087) 11.162 16.346 ( -1.235 -1.138 13.096) 13.203 16.582 ( 0.938 5.644 -2.226) 6.139 16.804 ( 0.738 -5.074 -5.592) 7.587 24.536 ( 0.229 0.427 0.666) 0.823 24.564 ( 0.486 -0.799 -0.778) 1.216 24.746 ( 0.098 0.603 -0.181) 0.637 24.752 ( 0.165 0.444 -0.342) 0.584 26.062 ( 0.515 0.418 0.726) 0.983 26.133 ( 0.958 -3.085 -1.248) 3.463 26.349 ( -1.435 2.213 4.438) 5.163 26.417 ( -2.071 -1.374 3.470) 4.269 26.750 ( -0.425 1.567 5.999) 6.215 26.851 ( -0.731 -3.547 4.638) 5.884 27.378 ( 0.925 7.418 -12.969) 14.970 27.549 ( 0.052 -0.726 -16.137) 16.154 28.848 ( -1.127 2.160 3.579) 4.330 28.956 ( -0.446 -3.023 -1.877) 3.586 29.468 ( 0.624 2.580 8.469) 8.875 29.615 ( 0.713 -4.606 1.097) 4.788 ======================= Grid point 110 (61/80) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 3.849 -7.162 4.338) 9.215 1.497 ( 3.849 7.162 4.338) 9.215 1.847 ( 2.176 -1.899 -4.252) 5.140 1.848 ( 2.176 1.899 -4.252) 5.140 1.942 ( -4.725 -2.367 10.833) 12.053 1.942 ( -4.725 2.367 10.833) 12.053 2.181 ( 3.613 -4.166 -0.997) 5.604 2.181 ( 3.613 4.166 -0.997) 5.604 2.341 ( 0.615 -6.136 -2.168) 6.537 2.341 ( 0.615 6.136 -2.168) 6.537 2.515 ( -0.745 -6.206 -1.410) 6.408 2.515 ( -0.745 6.206 -1.410) 6.408 2.741 ( -0.226 -3.770 1.219) 3.969 2.741 ( -0.226 3.770 1.219) 3.969 2.908 ( -4.002 -0.435 -1.769) 4.397 2.908 ( -4.002 0.435 -1.769) 4.397 2.979 ( 1.519 -3.106 4.642) 5.788 2.979 ( 1.519 3.106 4.642) 5.788 3.161 ( -1.586 -2.641 -3.946) 5.006 3.161 ( -1.586 2.641 -3.946) 5.006 3.364 ( 1.576 -3.794 2.287) 4.702 3.364 ( 1.576 3.794 2.287) 4.702 3.547 ( -0.802 -1.492 -2.324) 2.876 3.547 ( -0.802 1.492 -2.324) 2.876 3.659 ( 0.500 -4.886 2.473) 5.499 3.659 ( 0.500 4.886 2.473) 5.499 3.749 ( -0.226 -0.944 2.150) 2.359 3.749 ( -0.226 0.944 2.150) 2.359 3.936 ( -3.026 -3.185 4.895) 6.577 3.936 ( -3.026 3.185 4.895) 6.577 4.149 ( -0.414 -4.630 -5.024) 6.845 4.149 ( -0.414 4.630 -5.024) 6.845 4.675 ( -0.249 -1.699 -3.855) 4.221 4.675 ( -0.249 1.699 -3.855) 4.221 5.055 ( 2.616 -2.037 1.971) 3.857 5.055 ( 2.616 2.037 1.971) 3.857 5.175 ( 1.954 -1.458 0.116) 2.440 5.175 ( 1.954 1.458 0.116) 2.440 5.457 ( -1.279 -4.213 -0.210) 4.408 5.457 ( -1.279 4.213 -0.210) 4.408 6.409 ( 0.081 -1.531 -3.075) 3.436 6.409 ( 0.081 1.531 -3.075) 3.436 6.452 ( 0.154 -1.948 -1.936) 2.751 6.452 ( 0.154 1.948 -1.936) 2.751 6.750 ( -0.899 -3.443 -0.124) 3.561 6.750 ( -0.899 3.443 -0.124) 3.561 7.326 ( 0.435 -3.736 3.346) 5.034 7.326 ( 0.435 3.736 3.346) 5.034 7.415 ( -0.505 -6.295 8.145) 10.306 7.415 ( -0.505 6.295 8.145) 10.306 7.875 ( 0.588 -3.944 -8.177) 9.097 7.875 ( 0.588 3.944 -8.177) 9.097 8.074 ( 0.706 -5.364 -0.828) 5.473 8.074 ( 0.706 5.364 -0.828) 5.473 8.516 ( -1.075 -2.295 7.811) 8.212 8.516 ( -1.075 2.295 7.811) 8.212 9.052 ( 0.254 -5.217 -7.090) 8.806 9.052 ( 0.254 5.217 -7.090) 8.806 9.364 ( 0.457 -2.779 -4.244) 5.094 9.364 ( 0.457 2.779 -4.244) 5.094 10.364 ( -0.606 -2.126 6.215) 6.597 10.364 ( -0.606 2.126 6.215) 6.597 11.517 ( 0.800 -5.407 -7.249) 9.079 11.517 ( 0.800 5.407 -7.249) 9.079 12.538 ( -0.802 -3.835 6.954) 7.982 12.538 ( -0.802 3.835 6.954) 7.982 13.279 ( 0.390 -5.673 -5.559) 7.953 13.279 ( 0.390 5.673 -5.559) 7.953 13.696 ( 1.145 -1.388 -4.197) 4.566 13.696 ( 1.145 1.388 -4.197) 4.566 13.995 ( -0.649 -0.693 -0.366) 1.018 13.995 ( -0.649 0.693 -0.366) 1.018 14.549 ( 0.395 -3.080 -0.469) 3.140 14.549 ( 0.395 3.080 -0.469) 3.140 15.339 ( -0.342 -2.477 1.916) 3.150 15.339 ( -0.342 2.477 1.916) 3.150 16.328 ( -0.762 -1.411 12.249) 12.353 16.328 ( -0.762 1.411 12.249) 12.353 16.699 ( 0.194 -5.388 -4.157) 6.808 16.699 ( 0.194 5.388 -4.157) 6.808 24.554 ( 0.157 -0.893 0.016) 0.907 24.554 ( 0.157 0.893 0.016) 0.907 24.755 ( -0.082 -0.189 -0.373) 0.426 24.755 ( -0.082 0.189 -0.373) 0.426 26.090 ( -0.316 -1.485 0.025) 1.518 26.090 ( -0.316 1.485 0.025) 1.518 26.377 ( 0.147 -1.025 3.526) 3.675 26.377 ( 0.147 1.025 3.526) 3.675 26.790 ( -0.652 -2.342 6.299) 6.752 26.790 ( -0.652 2.342 6.299) 6.752 27.489 ( 1.249 -3.909 -15.458) 15.993 27.489 ( 1.249 3.909 -15.458) 15.993 28.890 ( -0.191 -2.961 0.899) 3.100 28.890 ( -0.191 2.961 0.899) 3.100 29.541 ( -0.252 -3.446 4.480) 5.658 29.541 ( -0.252 3.446 4.480) 5.658 ======================= Grid point 112 (62/80) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 5.550 -6.690 3.492) 9.368 1.613 ( 5.550 6.690 3.492) 9.368 1.785 ( -6.689 -4.874 5.422) 9.895 1.785 ( -6.689 4.874 5.422) 9.895 1.948 ( 3.189 -0.252 -0.875) 3.316 1.948 ( 3.189 0.252 -0.875) 3.316 2.216 ( -0.578 -1.905 -1.976) 2.805 2.216 ( -0.578 1.905 -1.976) 2.805 2.363 ( 2.239 -8.571 2.566) 9.222 2.363 ( 2.239 8.571 2.566) 9.222 2.505 ( -1.857 -2.313 0.497) 3.008 2.505 ( -1.857 2.313 0.497) 3.008 2.723 ( 0.450 -4.258 -3.705) 5.662 2.723 ( 0.450 4.258 -3.705) 5.662 2.845 ( -1.477 -0.990 1.404) 2.266 2.845 ( -1.477 0.990 1.404) 2.266 2.964 ( -4.178 -0.560 6.504) 7.751 2.964 ( -4.178 0.560 6.504) 7.751 3.114 ( -1.782 -2.123 -3.739) 4.654 3.114 ( -1.782 2.123 -3.739) 4.654 3.389 ( -2.570 -0.412 0.696) 2.694 3.389 ( -2.570 0.412 0.696) 2.694 3.471 ( -1.876 -4.011 -1.831) 4.792 3.471 ( -1.876 4.011 -1.831) 4.792 3.617 ( -1.652 -5.805 -0.138) 6.037 3.617 ( -1.652 5.805 -0.138) 6.037 3.765 ( -0.263 -6.588 -0.695) 6.629 3.765 ( -0.263 6.588 -0.695) 6.629 4.012 ( 7.548 -4.305 4.657) 9.858 4.012 ( 7.548 4.305 4.657) 9.858 4.158 ( 1.368 -4.952 -1.025) 5.239 4.158 ( 1.368 4.952 -1.025) 5.239 4.665 ( -0.076 -2.139 -3.690) 4.266 4.665 ( -0.076 2.139 -3.690) 4.266 5.092 ( 0.231 -1.211 3.773) 3.969 5.092 ( 0.231 1.211 3.773) 3.969 5.212 ( 1.000 -1.909 -1.541) 2.649 5.212 ( 1.000 1.909 -1.541) 2.649 5.442 ( 0.309 -2.925 -1.123) 3.148 5.442 ( 0.309 2.925 -1.123) 3.148 6.409 ( 0.726 -0.217 -3.144) 3.234 6.409 ( 0.726 0.217 -3.144) 3.234 6.468 ( 1.145 -1.415 -1.294) 2.233 6.468 ( 1.145 1.415 -1.294) 2.233 6.751 ( 0.935 -3.915 1.304) 4.231 6.751 ( 0.935 3.915 1.304) 4.231 7.338 ( -0.074 -3.685 3.972) 5.419 7.338 ( -0.074 3.685 3.972) 5.419 7.422 ( -0.211 -5.474 6.558) 8.545 7.422 ( -0.211 5.474 6.558) 8.545 7.879 ( 1.172 -3.762 -8.349) 9.232 7.879 ( 1.172 3.762 -8.349) 9.232 8.072 ( -0.669 -5.912 -1.436) 6.121 8.072 ( -0.669 5.912 -1.436) 6.121 8.511 ( -0.696 -1.834 7.938) 8.177 8.511 ( -0.696 1.834 7.938) 8.177 9.035 ( -0.456 -5.281 -7.200) 8.941 9.035 ( -0.456 5.281 -7.200) 8.941 9.359 ( -0.157 -2.757 -4.217) 5.041 9.359 ( -0.157 2.757 -4.217) 5.041 10.375 ( 0.436 -2.288 6.293) 6.710 10.375 ( 0.436 2.288 6.293) 6.710 11.512 ( 0.031 -5.702 -7.376) 9.323 11.512 ( 0.031 5.702 -7.376) 9.323 12.539 ( -0.270 -3.330 7.224) 7.959 12.539 ( -0.270 3.330 7.224) 7.959 13.279 ( 0.533 -5.703 -5.471) 7.920 13.279 ( 0.533 5.703 -5.471) 7.920 13.725 ( 2.196 -2.683 -5.186) 6.238 13.725 ( 2.196 2.683 -5.186) 6.238 13.953 ( -2.892 -2.264 0.017) 3.672 13.953 ( -2.892 2.264 0.017) 3.672 14.579 ( 2.077 -4.608 -0.262) 5.061 14.579 ( 2.077 4.608 -0.262) 5.061 15.330 ( -0.733 -2.655 1.953) 3.376 15.330 ( -0.733 2.655 1.953) 3.376 16.331 ( -1.030 -2.133 12.198) 12.426 16.331 ( -1.030 2.133 12.198) 12.426 16.691 ( -0.150 -5.062 -4.294) 6.639 16.691 ( -0.150 5.062 -4.294) 6.639 24.553 ( -0.196 -0.950 -0.152) 0.982 24.553 ( -0.196 0.950 -0.152) 0.982 24.751 ( -0.187 -0.171 -0.234) 0.345 24.751 ( -0.187 0.171 -0.234) 0.345 26.075 ( -0.882 -0.902 0.186) 1.276 26.075 ( -0.882 0.902 0.186) 1.276 26.400 ( 1.147 -1.186 3.488) 3.859 26.400 ( 1.147 1.186 3.488) 3.859 26.788 ( -0.554 -2.243 6.244) 6.658 26.788 ( -0.554 2.243 6.244) 6.658 27.495 ( 1.830 -3.781 -15.481) 16.041 27.495 ( 1.830 3.781 -15.481) 16.041 28.894 ( 0.358 -3.031 1.051) 3.228 28.894 ( 0.358 3.031 1.051) 3.228 29.536 ( -0.970 -3.132 4.288) 5.398 29.536 ( -0.970 3.132 4.288) 5.398 ======================= Grid point 114 (63/80) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -7.343 -4.342 10.914) 13.852 1.587 ( -7.343 4.342 10.914) 13.852 1.789 ( 4.873 -1.844 0.015) 5.210 1.789 ( 4.873 1.844 0.015) 5.210 1.983 ( -0.690 -1.420 0.939) 1.837 1.983 ( -0.690 1.420 0.939) 1.837 2.154 ( -3.664 -4.387 -2.848) 6.386 2.154 ( -3.664 4.387 -2.848) 6.386 2.418 ( 1.527 -2.791 1.136) 3.379 2.418 ( 1.527 2.791 1.136) 3.379 2.510 ( 3.872 -3.442 7.501) 9.116 2.510 ( 3.872 3.442 7.501) 9.116 2.717 ( -2.243 -5.577 -2.730) 6.602 2.717 ( -2.243 5.577 -2.730) 6.602 2.807 ( -5.131 -0.711 5.388) 7.474 2.807 ( -5.131 0.711 5.388) 7.474 2.929 ( 4.543 -2.927 -2.492) 5.951 2.929 ( 4.543 2.927 -2.492) 5.951 3.081 ( -1.275 -2.432 -3.382) 4.356 3.081 ( -1.275 2.432 -3.382) 4.356 3.293 ( -2.878 -3.825 -1.313) 4.963 3.293 ( -2.878 3.825 -1.313) 4.963 3.466 ( -1.040 -3.625 -0.676) 3.831 3.466 ( -1.040 3.625 -0.676) 3.831 3.650 ( 4.477 -0.369 -3.784) 5.874 3.650 ( 4.477 0.369 -3.784) 5.874 3.744 ( -1.190 -5.553 -3.911) 6.896 3.744 ( -1.190 5.553 -3.911) 6.896 4.141 ( 2.645 -2.154 1.904) 3.907 4.141 ( 2.645 2.154 1.904) 3.907 4.192 ( 1.918 -5.405 3.838) 6.901 4.192 ( 1.918 5.405 3.838) 6.901 4.664 ( 0.711 -1.857 -2.961) 3.566 4.664 ( 0.711 1.857 -2.961) 3.566 5.086 ( -1.368 -1.860 5.318) 5.797 5.086 ( -1.368 1.860 5.318) 5.797 5.189 ( -2.869 -5.529 1.641) 6.442 5.189 ( -2.869 5.529 1.641) 6.442 5.466 ( 1.945 -2.028 -4.144) 5.007 5.466 ( 1.945 2.028 -4.144) 5.007 6.420 ( 0.501 -1.176 -2.439) 2.753 6.420 ( 0.501 1.176 -2.439) 2.753 6.489 ( 1.104 -2.143 -1.086) 2.644 6.489 ( 1.104 2.143 -1.086) 2.644 6.780 ( 1.124 -3.226 2.629) 4.311 6.780 ( 1.124 3.226 2.629) 4.311 7.340 ( -0.371 -3.044 4.657) 5.576 7.340 ( -0.371 3.044 4.657) 5.576 7.420 ( -0.945 -4.532 4.557) 6.496 7.420 ( -0.945 4.532 4.557) 6.497 7.890 ( 1.114 -3.624 -8.171) 9.008 7.890 ( 1.114 3.624 -8.171) 9.008 8.050 ( -0.894 -5.602 -2.066) 6.038 8.050 ( -0.894 5.602 -2.066) 6.038 8.515 ( -0.350 -1.141 8.058) 8.146 8.515 ( -0.350 1.141 8.058) 8.146 9.019 ( 0.317 -4.901 -7.622) 9.067 9.019 ( 0.317 4.901 -7.622) 9.067 9.349 ( -0.026 -3.005 -4.247) 5.203 9.349 ( -0.026 3.005 -4.247) 5.203 10.394 ( 0.136 -1.989 6.388) 6.692 10.394 ( 0.136 1.989 6.388) 6.692 11.499 ( 0.074 -5.916 -7.457) 9.519 11.499 ( 0.074 5.916 -7.457) 9.519 12.548 ( -0.216 -3.229 7.510) 8.178 12.548 ( -0.216 3.229 7.510) 8.178 13.281 ( 0.587 -5.573 -5.485) 7.842 13.281 ( 0.587 5.573 -5.485) 7.842 13.752 ( 0.830 -3.897 -6.047) 7.242 13.752 ( 0.830 3.897 -6.047) 7.242 13.904 ( -1.091 -0.520 0.051) 1.210 13.904 ( -1.091 0.520 0.051) 1.210 14.613 ( 0.859 -3.935 0.368) 4.044 14.613 ( 0.859 3.935 0.368) 4.044 15.321 ( -0.352 -2.609 1.905) 3.250 15.321 ( -0.352 2.609 1.905) 3.250 16.328 ( -1.288 -2.437 12.043) 12.354 16.328 ( -1.288 2.437 12.043) 12.354 16.683 ( 0.213 -5.369 -4.367) 6.924 16.683 ( 0.213 5.369 -4.367) 6.924 24.547 ( -0.268 -0.884 -0.270) 0.963 24.547 ( -0.268 0.884 -0.270) 0.963 24.748 ( 0.002 -0.106 -0.118) 0.159 24.748 ( 0.002 0.106 -0.118) 0.159 26.063 ( -0.217 -0.374 0.088) 0.441 26.063 ( -0.217 0.374 0.088) 0.441 26.421 ( 0.084 -1.482 3.911) 4.183 26.421 ( 0.084 1.482 3.911) 4.183 26.789 ( -0.393 -2.456 6.044) 6.535 26.789 ( -0.393 2.456 6.044) 6.535 27.505 ( 1.696 -4.338 -15.604) 16.285 27.505 ( 1.696 4.338 -15.604) 16.285 28.904 ( 0.314 -2.970 1.177) 3.210 28.904 ( 0.314 2.970 1.177) 3.210 29.522 ( -0.872 -3.376 4.135) 5.409 29.522 ( -0.872 3.376 4.135) 5.409 ======================= Grid point 116 (64/80) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -4.162 -4.825 10.788) 12.530 1.483 ( -4.162 4.825 10.788) 12.530 1.829 ( -1.705 -0.892 2.333) 3.024 1.829 ( -1.705 0.892 2.333) 3.024 1.981 ( 2.553 -1.659 2.003) 3.644 1.981 ( 2.553 1.659 2.003) 3.644 2.100 ( -1.875 -6.275 -1.889) 6.816 2.100 ( -1.875 6.275 -1.889) 6.816 2.427 ( -1.963 -6.378 0.712) 6.711 2.427 ( -1.963 6.378 0.712) 6.711 2.554 ( -2.201 -7.236 3.387) 8.287 2.554 ( -2.201 7.236 3.387) 8.287 2.675 ( 2.055 -4.755 2.836) 5.906 2.675 ( 2.055 4.755 2.836) 5.906 2.806 ( 3.035 -4.383 5.119) 7.391 2.806 ( 3.035 4.383 5.119) 7.391 3.006 ( 1.225 -1.648 -5.542) 5.910 3.006 ( 1.225 1.648 -5.542) 5.910 3.090 ( 4.478 -2.239 -4.205) 6.538 3.090 ( 4.478 2.239 -4.205) 6.538 3.276 ( 0.575 -2.255 -0.072) 2.328 3.276 ( 0.575 2.255 -0.072) 2.328 3.447 ( 0.102 -3.381 -0.788) 3.473 3.447 ( 0.102 3.381 -0.788) 3.473 3.699 ( -1.542 -5.942 -6.242) 8.755 3.699 ( -1.542 5.942 -6.242) 8.755 3.746 ( 4.160 -0.883 -4.155) 5.946 3.746 ( 4.160 0.883 -4.155) 5.946 4.123 ( -4.013 -3.679 3.686) 6.574 4.123 ( -4.013 3.679 3.686) 6.574 4.225 ( 0.080 -2.213 1.457) 2.651 4.225 ( 0.080 2.213 1.457) 2.651 4.681 ( 1.052 -1.215 -2.447) 2.928 4.681 ( 1.052 1.215 -2.447) 2.928 5.052 ( -3.019 -2.750 6.524) 7.697 5.052 ( -3.019 2.750 6.524) 7.697 5.139 ( -1.398 -5.208 2.245) 5.842 5.139 ( -1.398 5.208 2.245) 5.842 5.488 ( 0.716 -3.121 -3.947) 5.082 5.488 ( 0.716 3.121 -3.947) 5.083 6.417 ( -0.285 -1.969 -2.211) 2.975 6.417 ( -0.285 1.969 -2.211) 2.975 6.500 ( -0.102 -2.660 -1.524) 3.067 6.500 ( -0.102 2.660 -1.524) 3.067 6.793 ( -0.346 -2.674 2.171) 3.461 6.793 ( -0.346 2.674 2.171) 3.461 7.335 ( -0.970 -3.446 3.373) 4.919 7.335 ( -0.970 3.446 3.373) 4.919 7.408 ( -0.744 -5.056 5.991) 7.874 7.408 ( -0.744 5.056 5.991) 7.874 7.892 ( 0.435 -3.785 -7.957) 8.823 7.892 ( 0.435 3.785 -7.957) 8.823 8.038 ( 0.187 -4.894 -1.792) 5.215 8.038 ( 0.187 4.894 -1.792) 5.215 8.522 ( -0.380 -1.768 8.000) 8.202 8.522 ( -0.380 1.768 8.000) 8.202 9.026 ( 1.571 -4.474 -7.760) 9.094 9.026 ( 1.571 4.474 -7.760) 9.094 9.347 ( 0.582 -3.188 -4.302) 5.386 9.347 ( 0.582 3.188 -4.302) 5.386 10.396 ( -1.079 -1.642 6.368) 6.664 10.396 ( -1.079 1.642 6.368) 6.664 11.495 ( 0.880 -5.767 -7.379) 9.406 11.495 ( 0.880 5.767 -7.379) 9.406 12.553 ( -0.699 -3.669 7.422) 8.309 12.553 ( -0.699 3.669 7.422) 8.309 13.282 ( 0.474 -5.458 -5.574) 7.816 13.282 ( 0.474 5.458 -5.574) 7.816 13.730 ( -1.471 -4.677 -4.894) 6.928 13.730 ( -1.471 4.677 -4.894) 6.928 13.923 ( 2.487 -3.706 -1.049) 4.585 13.923 ( 2.487 3.706 -1.049) 4.585 14.607 ( -1.442 -2.089 0.570) 2.602 14.607 ( -1.442 2.089 0.570) 2.602 15.324 ( 0.331 -2.341 1.850) 3.002 15.324 ( 0.331 2.341 1.850) 3.002 16.322 ( -1.188 -2.070 11.987) 12.222 16.322 ( -1.188 2.070 11.987) 12.222 16.686 ( 0.778 -5.833 -4.269) 7.270 16.686 ( 0.778 5.833 -4.269) 7.270 24.544 ( 0.045 -0.788 -0.170) 0.807 24.544 ( 0.045 0.788 -0.170) 0.807 24.751 ( 0.211 -0.130 -0.190) 0.313 24.751 ( 0.211 0.130 -0.190) 0.313 26.068 ( 0.633 -1.224 -0.101) 1.382 26.068 ( 0.633 1.224 -0.101) 1.382 26.414 ( -1.397 -1.687 4.171) 4.711 26.414 ( -1.397 1.687 4.171) 4.711 26.791 ( -0.428 -2.646 5.977) 6.550 26.791 ( -0.428 2.646 5.977) 6.550 27.506 ( 1.040 -4.771 -15.656) 16.400 27.506 ( 1.040 4.771 -15.656) 16.400 28.907 ( -0.309 -2.844 1.094) 3.063 28.907 ( -0.309 2.844 1.094) 3.063 29.520 ( -0.051 -3.805 4.243) 5.700 29.520 ( -0.051 3.805 4.243) 5.700 ======================= Grid point 118 (65/80) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -0.420 -6.921 7.929) 10.533 1.453 ( -0.420 6.921 7.929) 10.533 1.811 ( 0.738 -2.282 -0.366) 2.426 1.811 ( 0.738 2.282 -0.366) 2.426 2.017 ( -3.303 -2.457 10.062) 10.871 2.017 ( -3.303 2.457 10.062) 10.871 2.095 ( 4.200 -3.753 -4.442) 7.173 2.095 ( 4.200 3.753 -4.442) 7.173 2.357 ( -2.492 -4.086 -2.096) 5.225 2.357 ( -2.492 4.086 -2.096) 5.225 2.545 ( -0.888 -6.550 1.262) 6.729 2.545 ( -0.888 6.550 1.262) 6.729 2.716 ( 1.577 -3.393 2.319) 4.402 2.716 ( 1.577 3.393 2.319) 4.402 2.893 ( 4.050 -4.602 3.921) 7.277 2.893 ( 4.050 4.602 3.921) 7.277 2.996 ( -1.927 -1.760 -2.927) 3.921 2.996 ( -1.927 1.760 -2.927) 3.921 3.165 ( 2.413 -1.507 -4.836) 5.611 3.165 ( 2.413 1.507 -4.836) 5.611 3.316 ( 2.917 -1.818 0.896) 3.552 3.316 ( 2.917 1.818 0.896) 3.552 3.485 ( 3.660 -2.536 2.350) 5.035 3.485 ( 3.660 2.536 2.350) 5.035 3.656 ( -1.005 -3.092 -5.644) 6.513 3.656 ( -1.005 3.092 -5.644) 6.513 3.785 ( -0.822 -1.732 -0.513) 1.984 3.785 ( -0.822 1.732 -0.513) 1.984 4.026 ( -5.178 -3.135 4.118) 7.321 4.026 ( -5.178 3.135 4.118) 7.321 4.195 ( -2.632 -4.055 -2.220) 5.320 4.195 ( -2.632 4.055 -2.220) 5.320 4.686 ( -0.043 -1.778 -3.549) 3.970 4.686 ( -0.043 1.778 -3.549) 3.970 5.017 ( -0.365 -2.448 4.638) 5.257 5.017 ( -0.365 2.448 4.638) 5.257 5.143 ( 0.972 -2.973 1.981) 3.702 5.143 ( 0.972 2.973 1.981) 3.702 5.482 ( -0.731 -3.703 -1.991) 4.267 5.482 ( -0.731 3.703 -1.991) 4.267 6.409 ( 0.098 -2.353 -2.799) 3.658 6.409 ( 0.098 2.353 -2.799) 3.658 6.477 ( -1.614 -2.404 -1.867) 3.445 6.477 ( -1.614 2.404 -1.867) 3.445 6.776 ( -1.353 -2.513 0.403) 2.883 6.776 ( -1.353 2.513 0.403) 2.883 7.320 ( -0.584 -3.305 3.086) 4.559 7.320 ( -0.584 3.305 3.086) 4.559 7.411 ( -0.377 -6.138 7.721) 9.870 7.411 ( -0.377 6.138 7.721) 9.870 7.883 ( 0.124 -4.021 -7.946) 8.906 7.883 ( 0.124 4.021 -7.946) 8.906 8.052 ( 1.271 -4.731 -0.978) 4.995 8.052 ( 1.271 4.731 -0.978) 4.995 8.524 ( -0.848 -2.373 7.803) 8.200 8.524 ( -0.848 2.373 7.803) 8.200 9.046 ( 1.449 -4.791 -7.414) 8.946 9.046 ( 1.449 4.791 -7.414) 8.946 9.356 ( 0.947 -3.097 -4.305) 5.387 9.356 ( 0.947 3.097 -4.305) 5.387 10.378 ( -1.552 -1.750 6.261) 6.684 10.378 ( -1.552 1.750 6.261) 6.684 11.507 ( 1.318 -5.450 -7.247) 9.163 11.507 ( 1.318 5.450 -7.247) 9.163 12.546 ( -1.071 -4.051 7.073) 8.221 12.546 ( -1.071 4.051 7.073) 8.221 13.281 ( 0.359 -5.528 -5.625) 7.895 13.281 ( 0.359 5.528 -5.625) 7.895 13.698 ( -0.619 -3.436 -4.048) 5.346 13.698 ( -0.619 3.436 -4.048) 5.346 13.976 ( 2.327 -3.525 -1.045) 4.351 13.976 ( 2.327 3.525 -1.045) 4.351 14.568 ( -1.914 -1.470 0.091) 2.415 14.568 ( -1.914 1.470 0.091) 2.415 15.335 ( 0.293 -2.292 1.862) 2.968 15.335 ( 0.293 2.292 1.862) 2.968 16.322 ( -0.854 -1.361 12.119) 12.225 16.322 ( -0.854 1.361 12.119) 12.225 16.696 ( 0.760 -5.848 -4.143) 7.208 16.696 ( 0.760 5.848 -4.143) 7.208 24.548 ( 0.310 -0.796 0.003) 0.854 24.548 ( 0.310 0.796 0.003) 0.854 24.754 ( 0.163 -0.191 -0.343) 0.425 24.754 ( 0.163 0.191 -0.343) 0.425 26.084 ( 0.779 -1.878 -0.171) 2.041 26.084 ( 0.779 1.878 -0.171) 2.041 26.387 ( -1.592 -1.695 3.967) 4.598 26.387 ( -1.592 1.695 3.967) 4.598 26.792 ( -0.568 -2.582 6.131) 6.677 26.792 ( -0.568 2.582 6.131) 6.677 27.496 ( 0.759 -4.513 -15.565) 16.224 27.496 ( 0.759 4.513 -15.565) 16.224 28.898 ( -0.607 -2.847 0.921) 3.053 28.898 ( -0.607 2.847 0.921) 3.053 29.532 ( 0.319 -3.853 4.458) 5.901 29.532 ( 0.319 3.853 4.458) 5.901 ======================= Grid point 135 (66/80) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.485 0.000 -6.895) 6.912 1.274 ( 0.485 0.000 6.895) 6.912 1.379 ( 5.935 0.000 -14.424) 15.598 1.379 ( -5.935 0.000 14.424) 15.598 1.879 ( -9.179 0.000 -3.214) 9.726 1.879 ( 9.179 0.000 3.214) 9.726 1.921 ( -4.184 0.000 -3.227) 5.284 1.921 ( 4.184 0.000 3.227) 5.284 2.049 ( -3.953 0.000 -3.275) 5.133 2.049 ( 3.953 0.000 3.275) 5.133 2.366 ( -1.379 0.000 -13.027) 13.100 2.366 ( 1.379 0.000 13.027) 13.100 2.689 ( 0.032 0.000 -2.495) 2.495 2.689 ( -0.032 0.000 2.495) 2.495 2.740 ( -2.469 0.000 -3.129) 3.986 2.740 ( 2.469 0.000 3.129) 3.986 2.928 ( 1.163 0.000 -11.073) 11.134 2.928 ( -1.163 0.000 11.073) 11.134 3.030 ( -5.225 0.000 -2.132) 5.643 3.030 ( 5.225 0.000 2.132) 5.643 3.270 ( -2.032 0.000 -1.244) 2.383 3.270 ( 2.032 0.000 1.244) 2.383 3.459 ( -1.317 0.000 -3.301) 3.554 3.459 ( 1.317 0.000 3.301) 3.554 3.569 ( 3.346 0.000 -6.581) 7.383 3.569 ( -3.346 0.000 6.581) 7.383 3.723 ( 1.170 0.000 -1.266) 1.724 3.723 ( -1.170 0.000 1.266) 1.724 3.813 ( -2.708 0.000 0.024) 2.709 3.813 ( 2.708 0.000 -0.024) 2.709 4.052 ( 0.397 0.000 -2.400) 2.433 4.052 ( -0.397 0.000 2.400) 2.433 4.236 ( -2.284 0.000 -8.472) 8.775 4.236 ( 2.284 0.000 8.472) 8.775 4.454 ( 0.602 0.000 -2.231) 2.311 4.454 ( -0.602 0.000 2.231) 2.311 5.020 ( 3.237 0.000 -6.420) 7.189 5.020 ( -3.237 0.000 6.420) 7.189 5.682 ( -2.757 0.000 -3.739) 4.645 5.682 ( 2.757 0.000 3.739) 4.645 6.178 ( 0.981 0.000 -5.799) 5.881 6.178 ( -0.981 0.000 5.799) 5.881 6.554 ( 5.615 0.000 -4.393) 7.130 6.554 ( -5.615 0.000 4.393) 7.130 7.107 ( 0.836 0.000 -2.491) 2.628 7.107 ( -0.836 0.000 2.491) 2.628 7.326 ( -0.376 0.000 -3.029) 3.052 7.326 ( 0.376 0.000 3.029) 3.052 7.430 ( -0.361 0.000 -5.918) 5.929 7.430 ( 0.361 0.000 5.918) 5.929 7.662 ( 0.793 0.000 -0.455) 0.914 7.662 ( -0.793 0.000 0.455) 0.914 7.904 ( -1.303 0.000 -4.090) 4.292 7.904 ( 1.303 0.000 4.090) 4.292 8.754 ( 0.540 0.000 -10.113) 10.128 8.754 ( -0.540 0.000 10.113) 10.128 9.180 ( -1.092 0.000 -0.625) 1.258 9.180 ( 1.092 0.000 0.625) 1.258 9.680 ( -2.370 0.000 -9.485) 9.777 9.680 ( 2.370 0.000 9.485) 9.777 10.752 ( 0.793 0.000 -8.366) 8.404 10.752 ( -0.793 0.000 8.366) 8.404 11.443 ( 1.821 0.000 -23.312) 23.383 11.443 ( -1.821 0.000 23.312) 23.383 12.741 ( 1.365 0.000 -6.247) 6.394 12.741 ( -1.365 0.000 6.247) 6.394 13.089 ( -0.117 0.000 -1.623) 1.627 13.089 ( 0.117 0.000 1.623) 1.627 13.776 ( 1.058 0.000 -15.109) 15.146 13.776 ( -1.058 0.000 15.109) 15.146 14.120 ( -3.058 0.000 -2.772) 4.127 14.120 ( 3.058 0.000 2.772) 4.127 14.413 ( -4.817 0.000 0.331) 4.829 14.413 ( 4.817 0.000 -0.331) 4.829 15.523 ( 0.878 0.000 -4.663) 4.745 15.523 ( -0.878 0.000 4.663) 4.745 16.382 ( 2.788 0.000 -3.242) 4.276 16.382 ( -2.788 0.000 3.242) 4.276 16.775 ( -1.719 0.000 -6.429) 6.654 16.775 ( 1.719 0.000 6.429) 6.654 24.566 ( 0.182 0.000 -0.564) 0.593 24.566 ( -0.182 0.000 0.564) 0.593 24.709 ( 0.243 0.000 -0.609) 0.655 24.709 ( -0.243 0.000 0.609) 0.655 26.185 ( -2.290 0.000 -1.825) 2.929 26.185 ( 2.290 0.000 1.825) 2.929 26.329 ( -0.830 0.000 -4.018) 4.103 26.329 ( 0.830 0.000 4.018) 4.103 26.910 ( 0.254 0.000 -5.360) 5.366 26.910 ( -0.254 0.000 5.360) 5.366 27.090 ( -0.911 0.000 -4.025) 4.126 27.090 ( 0.911 0.000 4.025) 4.126 28.913 ( 1.211 0.000 -8.181) 8.270 28.913 ( -1.211 0.000 8.181) 8.270 29.792 ( -0.034 0.000 -3.085) 3.085 29.792 ( 0.034 0.000 3.085) 3.085 ======================= Grid point 137 (67/80) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -4.218 0.000 17.248) 17.757 1.311 ( 4.138 0.000 -13.220) 13.852 1.347 ( 4.194 0.000 10.290) 11.112 1.469 ( 4.937 0.000 -20.454) 21.041 1.673 ( -6.930 0.000 -5.685) 8.963 1.741 ( -10.858 0.000 -5.553) 12.196 1.886 ( -4.566 0.000 -2.002) 4.985 1.956 ( -1.633 0.000 0.653) 1.759 2.051 ( 1.343 0.000 0.994) 1.671 2.105 ( 3.126 0.000 0.133) 3.129 2.385 ( 2.358 0.000 -9.254) 9.550 2.395 ( -4.753 0.000 7.983) 9.290 2.645 ( -3.794 0.000 4.370) 5.787 2.655 ( -1.980 0.000 -3.195) 3.759 2.776 ( 2.197 0.000 -0.953) 2.394 2.780 ( 8.197 0.000 2.709) 8.633 2.965 ( 3.146 0.000 15.400) 15.718 2.987 ( 5.928 0.000 -0.796) 5.981 3.033 ( 4.134 0.000 -4.035) 5.777 3.186 ( 4.906 0.000 0.656) 4.949 3.223 ( -0.260 0.000 -0.620) 0.672 3.294 ( 0.156 0.000 -0.686) 0.703 3.427 ( -1.378 0.000 -0.217) 1.395 3.488 ( 0.914 0.000 7.452) 7.508 3.517 ( -3.166 0.000 1.185) 3.381 3.634 ( 2.985 0.000 -5.810) 6.532 3.695 ( -6.547 0.000 7.135) 9.684 3.729 ( -0.253 0.000 2.207) 2.221 3.738 ( 0.161 0.000 -4.383) 4.385 3.791 ( -4.404 0.000 1.285) 4.588 4.046 ( -0.460 0.000 1.730) 1.790 4.049 ( -0.133 0.000 -3.485) 3.487 4.224 ( 2.829 0.000 -10.161) 10.547 4.308 ( 2.770 0.000 3.080) 4.143 4.458 ( 0.574 0.000 2.897) 2.953 4.470 ( 1.102 0.000 -1.472) 1.839 5.020 ( 1.743 0.000 6.641) 6.866 5.115 ( 5.406 0.000 -2.440) 5.932 5.613 ( -2.249 0.000 -3.416) 4.090 5.718 ( 0.048 0.000 3.536) 3.536 6.170 ( -0.731 0.000 5.844) 5.889 6.187 ( 0.769 0.000 -6.479) 6.524 6.536 ( 3.006 0.000 4.127) 5.105 6.703 ( 8.148 0.000 -12.294) 14.749 7.089 ( -1.132 0.000 4.100) 4.254 7.115 ( 0.292 0.000 0.050) 0.296 7.326 ( 1.042 0.000 -3.695) 3.839 7.344 ( 0.792 0.000 1.868) 2.028 7.417 ( 0.036 0.000 -3.958) 3.958 7.443 ( -0.559 0.000 9.579) 9.596 7.664 ( 0.908 0.000 -0.752) 1.179 7.699 ( 2.768 0.000 -1.964) 3.394 7.869 ( -0.943 0.000 -5.367) 5.449 7.929 ( 0.307 0.000 3.713) 3.726 8.775 ( 3.129 0.000 -9.018) 9.546 8.788 ( 2.186 0.000 10.249) 10.479 9.139 ( -2.764 0.000 -1.012) 2.943 9.178 ( -2.037 0.000 2.908) 3.550 9.547 ( -7.401 0.000 -7.417) 10.478 9.651 ( -5.984 0.000 6.211) 8.625 10.733 ( -2.109 0.000 7.911) 8.188 10.736 ( -0.540 0.000 -9.009) 9.025 11.438 ( 1.696 0.000 -23.374) 23.436 11.442 ( -2.171 0.000 23.327) 23.428 12.741 ( 0.248 0.000 6.226) 6.231 12.766 ( 1.676 0.000 -6.208) 6.430 13.089 ( 0.320 0.000 -1.511) 1.545 13.096 ( 0.203 0.000 1.302) 1.318 13.787 ( 2.142 0.000 -13.644) 13.811 13.792 ( -0.252 0.000 14.390) 14.392 14.097 ( 0.975 0.000 -1.055) 1.436 14.223 ( 4.537 0.000 3.363) 5.647 14.334 ( -1.238 0.000 2.701) 2.972 14.503 ( 3.842 0.000 -3.361) 5.104 15.507 ( -1.315 0.000 4.170) 4.372 15.523 ( -0.162 0.000 -4.984) 4.987 16.320 ( -3.206 0.000 3.800) 4.972 16.398 ( -1.199 0.000 -2.862) 3.103 16.713 ( -1.747 0.000 -9.976) 10.128 16.784 ( -1.860 0.000 6.970) 7.214 24.559 ( -0.516 0.000 0.588) 0.782 24.563 ( -0.312 0.000 -0.718) 0.782 24.708 ( 0.023 0.000 0.678) 0.679 24.714 ( 0.252 0.000 -0.612) 0.662 26.178 ( 1.663 0.000 -2.376) 2.900 26.259 ( 3.674 0.000 -2.553) 4.474 26.309 ( -0.238 0.000 -1.465) 1.484 26.353 ( 0.599 0.000 5.051) 5.087 26.913 ( 0.918 0.000 -6.362) 6.428 26.920 ( 0.089 0.000 5.535) 5.535 27.091 ( 1.905 0.000 -4.762) 5.129 27.131 ( 1.664 0.000 8.106) 8.275 28.931 ( 1.352 0.000 8.475) 8.582 28.949 ( 3.240 0.000 -6.715) 7.456 29.729 ( -4.580 0.000 -6.637) 8.063 29.742 ( -4.922 0.000 4.093) 6.401 ======================= Grid point 138 (68/80) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.198 0.000 11.565) 11.567 1.349 ( -5.465 0.000 -9.609) 11.054 1.413 ( 6.690 0.000 -9.192) 11.369 1.510 ( -0.029 0.000 -1.399) 1.399 1.586 ( -2.141 0.000 5.385) 5.795 1.606 ( -0.450 0.000 -2.966) 3.000 1.839 ( 0.526 0.000 -0.559) 0.767 1.887 ( -3.664 0.000 -2.101) 4.223 2.064 ( 2.994 0.000 -4.543) 5.441 2.169 ( -1.444 0.000 -2.115) 2.561 2.258 ( -3.073 0.000 7.793) 8.377 2.343 ( -4.928 0.000 -3.548) 6.072 2.618 ( -0.114 0.000 6.606) 6.607 2.632 ( 0.052 0.000 -5.978) 5.978 2.865 ( 6.245 0.000 -3.091) 6.968 2.929 ( 2.811 0.000 3.902) 4.809 3.045 ( -0.502 0.000 5.144) 5.168 3.053 ( 0.517 0.000 -2.591) 2.642 3.179 ( 8.285 0.000 -1.554) 8.429 3.218 ( 4.623 0.000 8.559) 9.728 3.277 ( 0.618 0.000 -2.715) 2.785 3.287 ( -0.358 0.000 -0.006) 0.358 3.406 ( -0.606 0.000 0.414) 0.734 3.436 ( -4.351 0.000 -0.015) 4.351 3.541 ( 1.693 0.000 9.275) 9.428 3.578 ( -2.490 0.000 10.709) 10.995 3.619 ( -5.185 0.000 -14.075) 15.000 3.639 ( -4.021 0.000 -3.207) 5.143 3.754 ( 0.883 0.000 3.074) 3.199 3.762 ( 0.474 0.000 -2.772) 2.813 4.041 ( -0.353 0.000 2.386) 2.412 4.042 ( 0.054 0.000 -3.294) 3.294 4.288 ( 3.863 0.000 -5.819) 6.984 4.334 ( -0.837 0.000 1.812) 1.996 4.479 ( 0.668 0.000 2.921) 2.997 4.486 ( 0.491 0.000 -1.763) 1.830 5.092 ( 3.743 0.000 4.831) 6.112 5.160 ( -1.227 0.000 -2.534) 2.816 5.622 ( 3.340 0.000 -1.493) 3.658 5.693 ( -2.909 0.000 1.907) 3.478 6.172 ( -0.086 0.000 6.585) 6.586 6.184 ( 0.101 0.000 -6.852) 6.853 6.654 ( 6.001 0.000 9.653) 11.367 6.759 ( -0.941 0.000 -14.753) 14.783 7.099 ( 1.411 0.000 1.000) 1.730 7.119 ( -0.371 0.000 1.811) 1.849 7.348 ( 1.328 0.000 -3.020) 3.299 7.358 ( 0.094 0.000 1.458) 1.461 7.420 ( 1.125 0.000 -6.036) 6.140 7.437 ( -1.646 0.000 10.097) 10.230 7.693 ( 1.876 0.000 -0.253) 1.893 7.727 ( -0.691 0.000 -0.344) 0.772 7.875 ( 2.806 0.000 -6.569) 7.143 7.922 ( -1.864 0.000 4.546) 4.913 8.851 ( 5.195 0.000 -6.948) 8.675 8.869 ( 3.113 0.000 7.567) 8.182 9.067 ( -3.123 0.000 -5.076) 5.959 9.088 ( -6.519 0.000 7.126) 9.658 9.446 ( -0.191 0.000 -4.174) 4.178 9.513 ( -6.508 0.000 2.434) 6.948 10.710 ( -1.249 0.000 8.569) 8.659 10.713 ( 0.026 0.000 -9.158) 9.158 11.434 ( 1.957 0.000 -23.415) 23.496 11.437 ( -2.231 0.000 23.392) 23.498 12.762 ( 0.507 0.000 6.298) 6.318 12.776 ( 0.363 0.000 -6.367) 6.378 13.095 ( 0.423 0.000 -1.114) 1.192 13.099 ( -0.127 0.000 0.960) 0.968 13.803 ( 1.488 0.000 -12.373) 12.462 13.805 ( -0.835 0.000 12.791) 12.818 14.141 ( 2.958 0.000 0.253) 2.969 14.207 ( -3.151 0.000 -1.268) 3.397 14.443 ( 6.255 0.000 10.593) 12.302 14.533 ( -0.531 0.000 -8.127) 8.144 15.492 ( -0.532 0.000 3.985) 4.020 15.503 ( -0.665 0.000 -4.645) 4.692 16.289 ( -0.139 0.000 4.682) 4.684 16.334 ( -3.328 0.000 -4.316) 5.450 16.701 ( 2.094 0.000 -11.151) 11.345 16.741 ( -3.224 0.000 9.488) 10.020 24.552 ( -0.187 0.000 0.734) 0.758 24.555 ( -0.286 0.000 -0.800) 0.849 24.712 ( 0.189 0.000 0.742) 0.766 24.716 ( -0.001 0.000 -0.707) 0.707 26.221 ( 2.392 0.000 -0.542) 2.452 26.263 ( -1.452 0.000 -1.810) 2.321 26.345 ( 2.336 0.000 -3.051) 3.842 26.365 ( -0.387 0.000 4.705) 4.721 26.921 ( 0.963 0.000 -7.019) 7.085 26.926 ( -0.573 0.000 6.708) 6.733 27.138 ( 3.172 0.000 -9.285) 9.812 27.163 ( -0.654 0.000 11.154) 11.173 28.983 ( 1.801 0.000 7.081) 7.306 28.998 ( 1.746 0.000 -5.507) 5.777 29.633 ( -1.999 0.000 -10.169) 10.364 29.645 ( -4.394 0.000 8.031) 9.154 ======================= Grid point 141 (69/80) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 2.061 2.744 -13.229) 13.667 1.298 ( -2.061 2.744 13.229) 13.667 1.457 ( 2.352 7.575 -12.371) 14.696 1.457 ( -2.352 7.575 12.371) 14.696 1.886 ( -5.904 2.141 -4.409) 7.673 1.886 ( 5.904 2.141 4.409) 7.673 1.927 ( 1.773 0.467 -2.908) 3.437 1.927 ( -1.773 0.467 2.908) 3.437 2.157 ( -0.940 7.816 -1.819) 8.080 2.157 ( 0.940 7.816 1.819) 8.080 2.370 ( -2.136 1.619 -13.029) 13.301 2.370 ( 2.136 1.619 13.029) 13.301 2.702 ( -1.760 2.928 -4.199) 5.413 2.702 ( 1.760 2.928 4.199) 5.413 2.847 ( 2.308 4.814 -2.743) 6.002 2.847 ( -2.308 4.814 2.743) 6.002 2.959 ( -1.257 5.530 -4.270) 7.099 2.959 ( 1.257 5.530 4.270) 7.099 3.022 ( -2.511 -1.148 -2.564) 3.768 3.022 ( 2.511 -1.148 2.564) 3.768 3.258 ( -3.410 0.279 -3.804) 5.116 3.258 ( 3.410 0.279 3.804) 5.116 3.472 ( 0.365 -0.592 -6.079) 6.118 3.472 ( -0.365 -0.592 6.079) 6.118 3.562 ( 1.043 -0.156 -3.503) 3.658 3.562 ( -1.043 -0.156 3.503) 3.658 3.701 ( 1.684 0.385 -3.052) 3.507 3.701 ( -1.684 0.385 3.052) 3.507 3.871 ( -2.315 4.045 -1.741) 4.975 3.871 ( 2.315 4.045 1.741) 4.975 4.056 ( 1.070 -0.161 -2.568) 2.787 4.056 ( -1.070 -0.161 2.568) 2.787 4.260 ( -1.681 3.106 -8.876) 9.552 4.260 ( 1.681 3.106 8.876) 9.553 4.546 ( 0.452 9.125 -9.810) 13.406 4.546 ( -0.452 9.125 9.810) 13.406 5.026 ( 2.997 0.883 -6.082) 6.838 5.026 ( -2.997 0.883 6.082) 6.838 5.658 ( -1.525 -2.761 -6.114) 6.880 5.658 ( 1.525 -2.761 6.114) 6.880 6.223 ( 1.164 3.875 -4.367) 5.953 6.223 ( -1.164 3.875 4.367) 5.953 6.534 ( 3.954 -1.635 -3.424) 5.480 6.534 ( -3.954 -1.635 3.424) 5.480 7.023 ( 1.859 -7.289 -4.304) 8.667 7.023 ( -1.859 -7.289 4.304) 8.667 7.323 ( 1.099 0.710 -4.918) 5.089 7.323 ( -1.099 0.710 4.918) 5.089 7.495 ( 0.572 4.249 -11.791) 12.546 7.495 ( -0.572 4.249 11.791) 12.546 7.702 ( 0.971 4.002 -5.189) 6.625 7.702 ( -0.971 4.002 5.189) 6.625 7.898 ( -1.170 -0.580 -4.614) 4.796 7.898 ( 1.170 -0.580 4.614) 4.796 8.725 ( 0.629 -2.785 -9.995) 10.395 8.725 ( -0.629 -2.785 9.995) 10.395 9.173 ( -0.855 -0.787 -1.599) 1.977 9.173 ( 0.855 -0.787 1.599) 1.977 9.615 ( -1.194 -6.292 -6.453) 9.092 9.615 ( 1.194 -6.292 6.453) 9.092 10.701 ( 1.014 -4.777 -7.842) 9.238 10.701 ( -1.014 -4.777 7.842) 9.238 11.430 ( 1.821 -1.130 -20.691) 20.801 11.430 ( -1.821 -1.130 20.691) 20.801 12.709 ( 0.502 -2.242 -6.978) 7.347 12.709 ( -0.502 -2.242 6.978) 7.347 13.202 ( 0.487 9.700 -2.342) 9.990 13.202 ( -0.487 9.700 2.342) 9.990 13.668 ( 1.337 -9.852 -13.501) 16.766 13.668 ( -1.337 -9.852 13.501) 16.766 14.111 ( -3.603 -0.931 -2.329) 4.390 14.111 ( 3.603 -0.931 2.329) 4.390 14.432 ( 3.099 1.621 -1.608) 3.849 14.432 ( -3.099 1.621 1.608) 3.849 15.505 ( 0.736 -1.823 -4.440) 4.856 15.505 ( -0.736 -1.823 4.440) 4.856 16.391 ( 2.094 0.983 -4.350) 4.927 16.391 ( -2.094 0.983 4.350) 4.927 16.752 ( -1.293 -2.149 -9.604) 9.926 16.752 ( 1.293 -2.149 9.604) 9.926 24.564 ( 0.240 -0.211 -1.047) 1.095 24.564 ( -0.240 -0.211 1.047) 1.095 24.718 ( 0.154 0.753 -0.223) 0.800 24.718 ( -0.154 0.753 0.223) 0.800 26.167 ( -2.267 -1.613 -2.385) 3.664 26.167 ( 2.267 -1.613 2.385) 3.664 26.351 ( -2.222 1.883 -2.919) 4.123 26.351 ( 2.222 1.883 2.919) 4.123 26.881 ( 0.279 -1.795 -7.484) 7.701 26.881 ( -0.279 -1.795 7.484) 7.701 27.149 ( 0.045 4.689 -9.252) 10.373 27.149 ( -0.045 4.689 9.252) 10.373 28.910 ( 1.071 -0.324 -7.532) 7.615 28.910 ( -1.071 -0.324 7.532) 7.615 29.746 ( -0.232 -4.107 -4.845) 6.356 29.746 ( 0.232 -4.107 4.845) 6.356 ======================= Grid point 143 (70/80) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -0.473 3.671 15.172) 15.617 1.368 ( 5.845 5.251 -11.404) 13.849 1.431 ( 2.544 7.441 4.402) 9.012 1.505 ( 2.107 4.614 -15.512) 16.321 1.752 ( -3.552 7.154 -0.059) 7.988 1.840 ( -7.929 6.966 -5.834) 12.060 1.912 ( -1.494 3.279 -2.304) 4.277 1.960 ( -0.170 0.710 3.108) 3.192 2.130 ( -0.428 7.040 -1.494) 7.209 2.154 ( 0.338 4.346 -0.373) 4.375 2.371 ( 2.224 -0.921 -11.024) 11.283 2.412 ( -2.986 2.649 7.622) 8.604 2.610 ( -5.213 1.043 -4.586) 7.021 2.698 ( -0.596 1.728 5.065) 5.385 2.741 ( -3.950 0.141 6.008) 7.192 2.942 ( 0.739 4.278 -4.896) 6.544 2.976 ( 6.652 3.146 8.276) 11.075 3.014 ( 3.137 3.316 0.786) 4.631 3.035 ( 2.350 -0.101 0.591) 2.425 3.100 ( 2.498 -3.664 1.357) 4.638 3.216 ( 0.781 -0.997 -1.755) 2.164 3.344 ( 3.619 3.888 3.829) 6.548 3.449 ( -0.763 -0.911 -1.146) 1.651 3.490 ( -0.608 -0.165 2.693) 2.766 3.531 ( 1.434 4.533 -0.787) 4.819 3.597 ( -1.141 -4.390 2.900) 5.383 3.669 ( -1.729 -1.175 3.066) 3.711 3.747 ( -0.661 4.350 -0.996) 4.511 3.792 ( -1.817 4.002 0.417) 4.415 3.874 ( -1.515 5.450 0.591) 5.687 4.050 ( -0.234 -0.367 2.339) 2.379 4.072 ( 0.477 2.412 -4.451) 5.085 4.233 ( 1.782 1.595 -8.619) 8.944 4.323 ( 1.978 2.501 2.860) 4.283 4.545 ( 1.142 8.342 -5.347) 9.974 4.566 ( 0.477 9.569 6.839) 11.771 5.025 ( 1.591 0.705 5.583) 5.848 5.110 ( 4.745 -0.136 -3.331) 5.799 5.596 ( -1.847 -2.123 -3.939) 4.841 5.691 ( -0.125 -3.050 4.317) 5.288 6.208 ( -0.550 3.475 3.527) 4.982 6.236 ( 0.475 4.326 -4.052) 5.946 6.521 ( 2.760 -1.253 2.640) 4.020 6.659 ( 6.771 -3.833 -9.510) 12.287 6.999 ( -0.456 -7.083 5.400) 8.919 7.060 ( 1.555 -5.899 -2.400) 6.556 7.305 ( -0.322 0.215 3.572) 3.593 7.347 ( 0.962 0.646 -1.737) 2.088 7.482 ( 0.249 4.157 -4.454) 6.097 7.517 ( 0.075 4.932 6.011) 7.775 7.697 ( 0.192 3.410 2.046) 3.981 7.733 ( 2.262 3.332 -3.861) 5.579 7.863 ( -0.956 -0.573 -5.810) 5.916 7.921 ( 0.217 -0.751 4.032) 4.107 8.722 ( 1.477 -4.004 -0.421) 4.288 8.776 ( 3.105 -2.241 1.792) 4.228 9.132 ( -2.672 -0.674 -2.048) 3.434 9.168 ( -2.351 -1.219 3.572) 4.447 9.512 ( -6.034 -3.696 -4.537) 8.406 9.584 ( -4.726 -6.133 2.771) 8.224 10.678 ( -1.136 -4.364 3.169) 5.511 10.706 ( -0.180 -3.722 -3.675) 5.233 11.423 ( -0.886 -1.318 6.390) 6.584 11.429 ( 0.260 -1.062 -6.231) 6.326 12.715 ( 1.016 -2.200 -0.881) 2.579 12.730 ( 1.156 -2.292 1.064) 2.779 13.186 ( -0.567 8.759 0.863) 8.820 13.209 ( -0.035 9.684 -1.619) 9.819 13.661 ( 0.220 -10.176 3.077) 10.634 13.690 ( 0.955 -10.167 -3.034) 10.653 14.079 ( 0.835 -1.975 -1.151) 2.433 14.252 ( 8.304 -1.230 5.110) 9.827 14.316 ( -5.241 1.978 1.866) 5.904 14.532 ( 3.934 2.007 -3.745) 5.790 15.490 ( -1.395 -1.763 4.058) 4.639 15.501 ( -0.354 -2.089 -4.660) 5.119 16.340 ( -2.740 1.932 4.166) 5.348 16.403 ( -0.959 0.641 -3.705) 3.880 16.698 ( -1.096 -1.382 -11.110) 11.249 16.766 ( -1.587 -1.760 8.870) 9.181 24.556 ( -0.571 -0.237 0.997) 1.173 24.561 ( -0.287 -0.198 -1.112) 1.166 24.716 ( -0.004 0.710 0.339) 0.787 24.721 ( 0.157 0.676 -0.255) 0.739 26.136 ( 0.498 -2.686 -1.654) 3.193 26.244 ( 1.577 -3.839 0.959) 4.260 26.315 ( 1.229 3.331 -3.543) 5.016 26.400 ( 1.612 2.808 3.040) 4.442 26.881 ( 0.873 -2.011 -6.862) 7.204 26.892 ( -0.122 -1.965 7.052) 7.322 27.151 ( 1.839 4.695 -7.430) 8.979 27.182 ( 1.067 4.067 9.377) 10.276 28.925 ( 1.119 -0.547 7.594) 7.696 28.940 ( 2.787 -0.807 -6.206) 6.851 29.688 ( -3.744 -3.404 -5.776) 7.679 29.713 ( -3.877 -2.856 3.655) 6.045 ======================= Grid point 144 (71/80) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 1.064 6.464 11.291) 13.054 1.417 ( -4.118 6.677 -10.087) 12.778 1.516 ( 6.578 8.014 -7.362) 12.716 1.570 ( 5.842 5.895 0.328) 8.305 1.679 ( -4.290 9.114 -3.044) 10.523 1.717 ( -3.007 8.989 2.088) 9.706 1.893 ( 0.593 5.448 2.304) 5.945 1.934 ( -1.866 4.119 -2.997) 5.425 2.119 ( 1.745 5.492 -2.752) 6.386 2.204 ( 2.010 3.032 -3.033) 4.736 2.259 ( -6.331 1.074 5.741) 8.614 2.343 ( -5.590 0.235 -2.613) 6.175 2.575 ( 3.455 -1.730 -7.207) 8.177 2.651 ( -4.353 0.135 8.263) 9.340 2.793 ( 5.770 -3.157 2.829) 7.160 2.916 ( -4.341 -3.379 -1.810) 5.790 3.025 ( -0.069 -1.806 1.948) 2.657 3.031 ( 0.183 -1.752 -0.533) 1.841 3.179 ( 6.821 1.406 -0.856) 7.017 3.184 ( 4.297 -0.510 3.227) 5.398 3.268 ( 4.003 -2.366 -0.292) 4.659 3.366 ( -3.197 -0.008 2.218) 3.891 3.450 ( 1.808 3.668 -1.118) 4.239 3.484 ( -0.584 3.700 -0.107) 3.747 3.531 ( -3.009 -2.471 7.968) 8.868 3.565 ( -1.705 -0.305 -1.728) 2.447 3.632 ( -0.088 5.677 0.838) 5.739 3.677 ( -2.932 3.807 0.301) 4.815 3.815 ( 1.312 5.796 -1.301) 6.083 3.839 ( -1.324 7.450 -1.413) 7.698 4.053 ( 0.115 0.382 3.031) 3.058 4.064 ( -0.306 2.268 -3.918) 4.538 4.286 ( 3.716 0.748 -5.564) 6.732 4.335 ( -1.258 1.221 2.112) 2.744 4.567 ( 1.666 8.498 -5.966) 10.516 4.580 ( -0.533 9.123 7.197) 11.632 5.090 ( 3.410 0.080 3.795) 5.103 5.149 ( -0.952 -0.630 -2.440) 2.694 5.604 ( 3.021 -2.288 -3.263) 5.001 5.667 ( -2.838 -3.006 3.619) 5.494 6.213 ( 0.309 3.786 4.159) 5.632 6.229 ( -0.329 4.121 -4.416) 6.049 6.622 ( 5.142 -2.910 6.524) 8.802 6.707 ( -0.737 -4.683 -10.387) 11.417 7.032 ( 2.252 -5.640 3.411) 6.965 7.068 ( -0.549 -5.004 -1.735) 5.325 7.324 ( 1.325 -0.241 2.626) 2.951 7.350 ( -0.527 0.137 -1.522) 1.616 7.490 ( 1.401 4.535 -5.958) 7.617 7.512 ( -1.534 5.100 7.255) 9.000 7.716 ( 1.340 2.547 2.091) 3.557 7.749 ( -0.824 2.287 -2.560) 3.531 7.868 ( 2.824 -0.627 -6.850) 7.435 7.914 ( -1.854 -0.798 4.901) 5.300 8.787 ( 4.559 -5.169 -0.398) 6.904 8.837 ( 1.302 -3.992 1.235) 4.377 9.065 ( -2.522 -0.225 -4.980) 5.587 9.084 ( -5.172 -0.445 6.434) 8.267 9.430 ( -0.349 -1.823 -3.006) 3.533 9.478 ( -4.763 -3.370 1.318) 5.982 10.673 ( 0.026 -3.298 3.650) 4.920 10.688 ( -0.676 -2.899 -3.957) 4.951 11.419 ( -0.460 -1.362 5.095) 5.294 11.422 ( 0.100 -1.229 -5.019) 5.169 12.737 ( 0.992 -2.100 -0.596) 2.398 12.746 ( 0.114 -2.145 0.697) 2.258 13.185 ( 0.282 8.246 1.226) 8.342 13.198 ( -0.591 8.741 -1.688) 8.922 13.678 ( 0.630 -10.432 3.410) 10.993 13.692 ( -0.102 -10.403 -3.317) 10.919 14.125 ( 3.561 -2.209 -1.851) 4.581 14.209 ( -4.817 -1.665 2.215) 5.557 14.447 ( 7.695 1.475 7.287) 10.700 14.555 ( -1.373 1.734 -6.220) 6.601 15.472 ( -0.693 -1.974 3.942) 4.462 15.480 ( -0.650 -2.157 -4.414) 4.956 16.313 ( -0.223 2.395 4.800) 5.369 16.350 ( -2.616 1.611 -4.713) 5.625 16.692 ( 2.184 -0.866 -11.350) 11.591 16.731 ( -3.049 -1.095 10.159) 10.663 24.549 ( -0.207 -0.247 1.039) 1.088 24.552 ( -0.283 -0.224 -1.116) 1.173 24.719 ( 0.162 0.606 0.461) 0.778 24.722 ( -0.049 0.585 -0.405) 0.714 26.167 ( 2.344 -3.737 -1.185) 4.568 26.216 ( -2.489 -3.931 0.739) 4.712 26.380 ( 3.437 3.007 -3.722) 5.891 26.417 ( -0.729 3.154 3.517) 4.780 26.890 ( 1.043 -2.198 -6.646) 7.077 26.896 ( -0.642 -2.163 6.735) 7.103 27.187 ( 2.692 3.959 -10.152) 11.225 27.207 ( -0.741 3.557 11.379) 11.945 28.968 ( 1.410 -1.321 6.655) 6.930 28.981 ( 1.490 -1.558 -5.493) 5.901 29.614 ( -1.307 -1.552 -7.006) 7.294 29.632 ( -3.775 -1.301 5.352) 6.677 ======================= Grid point 147 (72/80) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 1.889 5.585 -12.914) 14.197 1.382 ( -1.889 5.585 12.914) 14.197 1.646 ( 0.306 10.270 -6.573) 12.197 1.646 ( -0.306 10.270 6.573) 12.197 1.935 ( 0.405 2.016 -6.087) 6.425 1.935 ( -0.405 2.016 6.087) 6.425 1.984 ( -2.526 6.295 -4.632) 8.214 1.984 ( 2.526 6.295 4.632) 8.214 2.236 ( 2.204 0.296 -5.075) 5.541 2.236 ( -2.204 0.296 5.075) 5.541 2.475 ( -3.766 7.391 -7.298) 11.049 2.475 ( 3.766 7.391 7.298) 11.049 2.764 ( -2.306 2.273 -6.568) 7.323 2.764 ( 2.306 2.273 6.568) 7.323 2.890 ( 2.153 1.193 -3.978) 4.678 2.890 ( -2.153 1.193 3.978) 4.678 2.975 ( -1.947 -2.571 -3.622) 4.849 2.975 ( 1.947 -2.571 3.622) 4.849 3.098 ( -0.202 4.688 -3.816) 6.048 3.098 ( 0.202 4.688 3.816) 6.048 3.311 ( -6.375 5.182 -3.722) 9.019 3.311 ( 6.375 5.182 3.722) 9.019 3.450 ( 0.973 -1.093 -5.317) 5.515 3.450 ( -0.973 -1.093 5.317) 5.515 3.585 ( 2.193 3.420 -3.666) 5.472 3.585 ( -2.193 3.420 3.666) 5.472 3.737 ( 0.907 1.923 -2.669) 3.412 3.737 ( -0.907 1.923 2.669) 3.412 3.928 ( -0.948 1.593 -4.369) 4.746 3.928 ( 0.948 1.593 4.369) 4.746 4.069 ( -2.120 2.034 -0.741) 3.030 4.069 ( 2.120 2.034 0.741) 3.030 4.359 ( -1.827 6.882 -7.029) 10.006 4.359 ( 1.827 6.882 7.029) 10.006 4.788 ( -0.163 14.468 -11.873) 18.717 4.788 ( 0.163 14.468 11.873) 18.717 5.063 ( 2.326 2.951 -4.294) 5.706 5.063 ( -2.327 2.951 4.294) 5.706 5.569 ( -1.429 -6.100 -6.152) 8.781 5.569 ( 1.429 -6.100 6.152) 8.781 6.295 ( 1.263 3.012 -2.490) 4.107 6.295 ( -1.263 3.012 2.490) 4.107 6.508 ( 1.386 -1.048 -1.840) 2.531 6.508 ( -1.386 -1.048 1.840) 2.531 6.874 ( 2.087 -7.124 -4.242) 8.550 6.874 ( -2.087 -7.124 4.242) 8.550 7.342 ( 1.107 0.694 -5.745) 5.891 7.342 ( -1.107 0.694 5.745) 5.891 7.559 ( 1.045 2.314 -14.271) 14.495 7.559 ( -1.045 2.314 14.271) 14.495 7.786 ( 0.078 2.441 -6.075) 6.547 7.786 ( -0.078 2.441 6.075) 6.547 7.899 ( 0.480 2.252 -4.937) 5.448 7.899 ( -0.480 2.252 4.937) 5.448 8.661 ( 0.513 -3.271 -8.597) 9.213 8.661 ( -0.513 -3.271 8.597) 9.213 9.141 ( -0.320 -2.932 -3.471) 4.555 9.141 ( 0.320 -2.932 3.471) 4.555 9.464 ( 0.177 -8.084 -3.090) 8.656 9.464 ( -0.177 -8.084 3.090) 8.656 10.588 ( 1.014 -6.192 -6.067) 8.728 10.588 ( -1.014 -6.192 6.067) 8.728 11.412 ( 1.482 -0.299 -14.101) 14.182 11.412 ( -1.482 -0.299 14.101) 14.182 12.671 ( -0.157 -1.704 -7.194) 7.394 12.671 ( 0.157 -1.704 7.194) 7.394 13.404 ( 1.424 8.348 -3.936) 9.338 13.404 ( -1.424 8.348 3.936) 9.338 13.456 ( 1.021 -8.908 -6.637) 11.156 13.456 ( -1.021 -8.908 6.637) 11.156 14.079 ( -3.770 -2.367 -1.434) 4.677 14.079 ( 3.770 -2.367 1.434) 4.677 14.470 ( 5.058 2.279 -3.380) 6.496 14.470 ( -5.058 2.279 3.380) 6.496 15.454 ( 0.484 -3.272 -3.756) 5.005 15.454 ( -0.484 -3.272 3.756) 5.005 16.421 ( 1.573 2.081 -5.492) 6.080 16.421 ( -1.573 2.081 5.492) 6.080 16.701 ( -0.649 -2.899 -11.692) 12.064 16.701 ( 0.649 -2.899 11.692) 12.064 24.559 ( 0.258 -0.239 -1.360) 1.405 24.559 ( -0.258 -0.239 1.360) 1.405 24.734 ( -0.022 0.793 -0.178) 0.813 24.734 ( 0.022 0.793 0.178) 0.813 26.131 ( -1.504 -1.847 -2.441) 3.411 26.131 ( 1.504 -1.847 2.441) 3.411 26.387 ( -2.144 1.578 -2.004) 3.332 26.387 ( 2.144 1.578 2.004) 3.332 26.864 ( 0.335 0.092 -6.909) 6.917 26.864 ( -0.335 0.092 6.909) 6.917 27.235 ( 0.341 3.621 -9.725) 10.383 27.235 ( -0.341 3.621 9.725) 10.383 28.903 ( 0.728 -0.284 -5.702) 5.755 28.903 ( -0.728 -0.284 5.702) 5.755 29.662 ( -0.188 -3.903 -5.418) 6.681 29.662 ( 0.188 -3.903 5.418) 6.681 ======================= Grid point 149 (73/80) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 3.193 6.962 9.106) 11.899 1.466 ( 8.066 4.594 -12.144) 15.285 1.601 ( -0.618 8.975 -1.820) 9.179 1.666 ( -0.743 10.171 -2.363) 10.468 1.869 ( -1.589 3.341 0.834) 3.792 1.947 ( 0.939 5.210 -3.175) 6.173 1.993 ( 1.099 3.801 -0.956) 4.071 2.047 ( 0.118 8.966 2.995) 9.454 2.198 ( -1.284 0.022 3.845) 4.054 2.265 ( 0.937 3.365 -3.199) 4.736 2.393 ( -1.699 4.955 -10.763) 11.970 2.537 ( -0.424 8.770 2.577) 9.150 2.649 ( -6.236 0.867 -3.080) 7.009 2.735 ( -3.453 2.434 0.434) 4.247 2.769 ( -6.590 3.249 7.864) 10.763 2.930 ( -1.384 -1.317 -3.255) 3.774 2.973 ( 1.914 -2.398 2.803) 4.156 3.001 ( -1.204 -1.963 1.829) 2.941 3.115 ( 2.568 2.738 2.245) 4.374 3.121 ( 2.042 1.777 2.477) 3.669 3.212 ( -1.818 1.961 -1.999) 3.339 3.380 ( -0.576 -0.533 0.019) 0.785 3.446 ( -0.736 -3.762 3.442) 5.152 3.504 ( -1.254 2.532 4.221) 5.080 3.533 ( 2.681 5.588 0.823) 6.252 3.617 ( 0.250 1.530 0.608) 1.665 3.707 ( 0.487 -0.888 -1.421) 1.745 3.820 ( 0.285 6.591 -1.276) 6.720 3.871 ( 0.123 2.543 -2.687) 3.702 3.959 ( 3.306 3.437 4.157) 6.326 4.049 ( -0.965 1.428 0.961) 1.974 4.134 ( 2.590 3.985 -1.968) 5.144 4.323 ( 0.413 7.728 -5.527) 9.510 4.418 ( 1.530 6.373 4.744) 8.091 4.774 ( 1.213 14.525 -11.816) 18.763 4.815 ( 0.031 14.818 10.956) 18.428 5.053 ( 1.131 2.233 2.792) 3.750 5.125 ( 3.345 1.793 -3.447) 5.127 5.520 ( -1.259 -5.449 -5.327) 7.724 5.596 ( -0.366 -6.404 5.729) 8.601 6.280 ( -0.007 3.297 1.474) 3.612 6.318 ( 0.682 3.398 -2.412) 4.222 6.497 ( 1.658 -0.998 0.435) 1.984 6.583 ( 3.747 -3.616 -3.824) 6.461 6.862 ( 0.842 -6.161 5.270) 8.151 6.925 ( 2.575 -6.997 -2.248) 7.787 7.325 ( -0.640 1.021 3.815) 4.001 7.361 ( 0.727 0.133 -2.963) 3.053 7.546 ( 0.146 2.425 -2.079) 3.198 7.586 ( 0.845 2.043 1.735) 2.810 7.774 ( 0.092 2.097 -2.062) 2.943 7.808 ( 0.892 2.722 0.776) 2.968 7.864 ( -1.585 2.307 -0.589) 2.860 7.914 ( 0.102 1.432 -0.451) 1.505 8.644 ( 0.439 -3.453 0.174) 3.485 8.708 ( 2.262 -4.104 1.036) 4.799 9.105 ( -2.350 -2.572 -3.585) 4.999 9.125 ( -2.709 -3.337 4.817) 6.455 9.412 ( -2.996 -5.713 -1.418) 6.605 9.447 ( -2.303 -7.152 -0.190) 7.516 10.579 ( -0.185 -5.459 3.469) 6.471 10.606 ( 0.870 -5.920 -3.548) 6.956 11.402 ( -1.593 -0.414 12.700) 12.806 11.412 ( 0.697 -0.397 -12.562) 12.587 12.671 ( 1.335 -2.045 -6.833) 7.256 12.695 ( 0.583 -1.673 7.334) 7.545 13.377 ( -1.252 8.939 1.989) 9.243 13.403 ( -0.659 4.500 -3.886) 5.982 13.460 ( 0.368 -7.982 3.472) 8.712 13.471 ( 0.969 -6.505 -3.213) 7.320 14.026 ( -0.453 -3.173 -0.522) 3.248 14.163 ( 1.474 -5.832 2.544) 6.531 14.410 ( 0.583 5.536 3.509) 6.580 14.563 ( 3.833 1.191 -3.898) 5.595 15.439 ( -1.277 -3.228 2.623) 4.351 15.448 ( -0.562 -3.171 -2.772) 4.249 16.391 ( -1.878 3.134 5.171) 6.332 16.427 ( -0.417 1.772 -5.372) 5.672 16.664 ( -0.222 -2.008 -11.060) 11.243 16.718 ( -1.089 -3.008 10.193) 10.683 24.551 ( -0.567 -0.198 1.088) 1.243 24.557 ( -0.264 -0.226 -1.275) 1.321 24.731 ( -0.073 0.771 0.116) 0.784 24.736 ( 0.028 0.719 0.041) 0.721 26.094 ( -0.559 -1.573 -1.057) 1.976 26.168 ( -0.022 -3.586 1.243) 3.795 26.375 ( 1.828 2.471 -2.658) 4.063 26.441 ( 2.069 1.106 1.656) 2.872 26.861 ( 0.521 0.067 -6.246) 6.268 26.869 ( -0.426 -0.204 6.655) 6.671 27.237 ( 1.482 3.622 -8.019) 8.923 27.256 ( 0.431 3.057 8.917) 9.437 28.913 ( 0.710 -0.509 5.275) 5.347 28.923 ( 1.819 -0.844 -4.547) 4.969 29.623 ( -2.104 -2.817 -4.752) 5.912 29.649 ( -2.210 -3.203 3.583) 5.289 ======================= Grid point 150 (74/80) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 1.701 9.002 8.384) 12.418 1.564 ( -3.691 7.140 -11.030) 13.648 1.652 ( 10.079 5.719 -5.726) 12.926 1.721 ( 7.778 7.641 0.582) 10.919 1.817 ( -5.293 2.771 2.667) 6.543 1.893 ( -6.909 8.019 0.564) 10.600 2.026 ( 2.305 5.277 0.628) 5.792 2.050 ( 0.654 8.671 -0.014) 8.696 2.236 ( 4.354 2.727 -0.181) 5.141 2.267 ( 1.652 8.577 -0.651) 8.759 2.336 ( -4.116 2.384 -4.423) 6.496 2.398 ( -9.585 8.430 -0.705) 12.784 2.590 ( 2.220 3.330 -8.026) 8.969 2.664 ( -5.423 2.741 10.403) 12.047 2.763 ( 4.029 -0.413 4.026) 5.710 2.861 ( -4.334 -1.658 -2.834) 5.437 2.980 ( -0.052 -2.665 -0.872) 2.805 2.989 ( -0.493 -2.617 1.935) 3.292 3.148 ( 1.728 -3.242 -0.569) 3.718 3.176 ( 0.112 -3.214 0.584) 3.269 3.252 ( 4.468 0.960 3.570) 5.799 3.332 ( -3.232 -0.751 -1.161) 3.515 3.424 ( -0.007 -4.164 2.867) 5.055 3.472 ( -2.190 -0.658 0.606) 2.365 3.577 ( 0.467 4.140 1.335) 4.375 3.605 ( -1.398 1.397 -0.415) 2.019 3.734 ( 2.061 0.369 -1.324) 2.477 3.770 ( -1.756 4.354 0.533) 4.725 3.939 ( 3.782 6.977 -1.293) 8.041 4.000 ( -2.103 6.971 0.502) 7.299 4.071 ( 3.988 3.564 3.556) 6.422 4.139 ( -1.577 5.546 -3.162) 6.576 4.359 ( 3.354 6.890 -3.696) 8.508 4.417 ( -2.160 6.780 2.761) 7.633 4.795 ( 2.495 14.374 -11.764) 18.742 4.819 ( -1.585 14.702 11.991) 19.038 5.104 ( 2.892 1.366 1.438) 3.507 5.151 ( -0.767 0.908 -1.707) 2.080 5.523 ( 2.525 -5.663 -6.177) 8.752 5.573 ( -2.692 -6.266 6.230) 9.237 6.294 ( 0.892 3.849 1.623) 4.272 6.314 ( -0.582 3.877 -2.086) 4.440 6.559 ( 3.431 -3.099 0.994) 4.729 6.610 ( -0.692 -4.706 -2.499) 5.373 6.915 ( 2.694 -5.610 3.324) 7.056 6.951 ( -0.004 -6.239 -2.074) 6.575 7.334 ( 0.843 0.592 3.579) 3.724 7.358 ( -0.537 0.046 -3.022) 3.069 7.558 ( 1.349 2.232 -2.544) 3.643 7.585 ( -1.281 2.032 2.623) 3.556 7.783 ( 0.779 2.550 0.597) 2.732 7.805 ( -1.059 2.114 -1.566) 2.837 7.864 ( 1.928 1.683 -1.947) 3.216 7.901 ( -1.431 0.660 1.211) 1.987 8.682 ( 3.047 -4.809 -0.033) 5.693 8.732 ( -0.778 -5.719 0.728) 5.818 9.049 ( -1.607 -1.796 -1.943) 3.096 9.064 ( -2.972 -1.991 2.890) 4.599 9.373 ( -0.171 -3.681 -2.157) 4.270 9.394 ( -2.291 -4.760 1.013) 5.379 10.591 ( 0.596 -4.795 3.488) 5.959 10.607 ( -0.195 -5.028 -3.545) 6.155 11.396 ( -1.111 -0.601 12.803) 12.865 11.401 ( 0.567 -0.573 -12.737) 12.762 12.694 ( 1.739 -2.156 -6.736) 7.283 12.708 ( -0.640 -1.919 7.071) 7.355 13.367 ( -0.049 7.906 2.282) 8.229 13.380 ( -0.765 5.798 -3.130) 6.633 13.471 ( 0.346 -8.361 1.448) 8.493 13.478 ( 0.076 -6.515 -1.532) 6.693 14.054 ( 2.974 -4.727 -1.623) 5.816 14.126 ( -3.935 -5.950 2.612) 7.597 14.504 ( 5.597 3.695 4.695) 8.187 14.588 ( -1.096 1.506 -4.718) 5.073 15.421 ( -0.656 -3.031 2.939) 4.273 15.428 ( -0.659 -3.009 -3.053) 4.337 16.374 ( -0.437 3.624 5.509) 6.608 16.394 ( -1.255 2.848 -5.752) 6.540 16.666 ( 2.007 -1.854 -10.594) 10.941 16.697 ( -2.457 -2.397 10.184) 10.747 24.545 ( -0.209 -0.173 1.086) 1.119 24.548 ( -0.282 -0.193 -1.210) 1.257 24.732 ( 0.109 0.679 0.141) 0.702 24.735 ( -0.123 0.646 -0.041) 0.659 26.104 ( 1.500 -2.533 -1.041) 3.123 26.141 ( -2.099 -3.422 1.084) 4.158 26.429 ( 2.908 1.736 -2.515) 4.219 26.462 ( -0.473 1.234 1.998) 2.396 26.864 ( 0.771 -0.236 -6.065) 6.118 26.868 ( -0.679 -0.386 6.304) 6.353 27.260 ( 1.925 3.017 -9.443) 10.099 27.271 ( -0.702 2.658 10.006) 10.377 28.941 ( 0.755 -1.301 4.979) 5.201 28.948 ( 0.992 -1.573 -4.445) 4.818 29.584 ( -0.350 -1.322 -4.564) 4.764 29.601 ( -2.469 -1.617 3.752) 4.774 ======================= Grid point 153 (75/80) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.551 5.593 -8.755) 10.404 1.497 ( -0.551 5.593 8.755) 10.404 1.774 ( -1.132 1.886 -2.999) 3.719 1.774 ( 1.132 1.886 2.999) 3.719 2.008 ( 2.994 5.445 -6.061) 8.680 2.008 ( -2.994 5.445 6.061) 8.680 2.138 ( -4.926 7.076 -4.574) 9.760 2.138 ( 4.926 7.076 4.574) 9.760 2.225 ( 1.932 0.927 -7.290) 7.598 2.225 ( -1.932 0.927 7.290) 7.598 2.552 ( -3.426 -0.841 -6.474) 7.373 2.552 ( 3.426 -0.841 6.474) 7.373 2.782 ( -2.854 -1.504 -4.203) 5.299 2.782 ( 2.854 -1.504 4.203) 5.299 2.863 ( 0.116 0.020 -1.792) 1.796 2.863 ( -0.116 0.020 1.792) 1.796 3.001 ( -0.217 3.255 -2.086) 3.872 3.001 ( 0.217 3.255 2.086) 3.872 3.133 ( 0.730 -0.381 -2.678) 2.802 3.133 ( -0.730 -0.381 2.678) 2.802 3.389 ( -0.483 1.333 -5.779) 5.950 3.389 ( 0.483 1.333 5.779) 5.950 3.466 ( -5.165 2.901 -2.950) 6.618 3.466 ( 5.165 2.901 2.950) 6.618 3.658 ( 0.016 3.158 -3.375) 4.622 3.658 ( -0.016 3.158 3.375) 4.622 3.762 ( -7.583 0.802 -0.296) 7.631 3.762 ( 7.583 0.802 0.296) 7.631 3.971 ( 0.490 3.127 -3.221) 4.516 3.971 ( -0.490 3.127 3.221) 4.516 4.091 ( -1.675 -0.644 -5.239) 5.538 4.091 ( 1.675 -0.644 5.239) 5.538 4.524 ( -0.624 9.006 -3.242) 9.592 4.524 ( 0.624 9.006 3.242) 9.592 5.017 ( -0.301 6.494 -4.373) 7.835 5.017 ( 0.301 6.494 4.373) 7.835 5.150 ( -0.105 5.116 -4.748) 6.981 5.150 ( 0.105 5.116 4.748) 6.981 5.459 ( -1.226 -3.216 -2.132) 4.048 5.459 ( 1.226 -3.216 2.132) 4.048 6.339 ( 0.095 1.591 -0.841) 1.802 6.339 ( -0.095 1.591 0.841) 1.802 6.479 ( -1.225 -2.081 -0.187) 2.422 6.479 ( 1.225 -2.081 0.187) 2.422 6.772 ( 1.481 -2.893 -3.278) 4.616 6.772 ( -1.481 -2.893 3.278) 4.616 7.335 ( 0.265 -1.389 -3.317) 3.606 7.335 ( -0.265 -1.389 3.317) 3.606 7.596 ( 1.195 1.680 -13.827) 13.980 7.596 ( -1.195 1.680 13.827) 13.980 7.762 ( -0.062 -3.186 -8.744) 9.307 7.762 ( 0.062 -3.186 8.744) 9.307 7.999 ( 1.187 5.834 -5.001) 7.775 7.999 ( -1.187 5.834 5.001) 7.775 8.616 ( 0.091 -0.926 -4.954) 5.040 8.616 ( -0.091 -0.926 4.954) 5.040 9.046 ( 0.426 -6.266 -5.638) 8.440 9.046 ( -0.426 -6.266 5.638) 8.440 9.344 ( -0.134 -3.568 -2.087) 4.136 9.344 ( 0.134 -3.568 2.087) 4.136 10.480 ( 0.580 -4.357 -2.926) 5.281 10.480 ( -0.580 -4.357 2.926) 5.281 11.422 ( 0.772 1.016 -6.581) 6.704 11.422 ( -0.772 1.016 6.581) 6.704 12.637 ( -0.198 -1.660 -5.073) 5.341 12.637 ( 0.198 -1.660 5.073) 5.341 13.277 ( 0.740 -6.168 -7.280) 9.570 13.277 ( -0.740 -6.168 7.280) 9.570 13.581 ( -0.699 6.711 -1.494) 6.911 13.581 ( 0.699 6.711 1.494) 6.911 14.025 ( -2.491 -2.838 -0.631) 3.828 14.025 ( 2.491 -2.838 0.631) 3.828 14.518 ( 2.561 2.367 -2.651) 4.380 14.518 ( -2.561 2.367 2.651) 4.380 15.389 ( 0.296 -2.942 -2.383) 3.798 15.389 ( -0.296 -2.942 2.383) 3.798 16.467 ( 0.952 2.428 -5.572) 6.152 16.467 ( -0.952 2.428 5.572) 6.152 16.645 ( -0.062 -2.649 -9.546) 9.907 16.645 ( 0.062 -2.649 9.546) 9.907 24.555 ( 0.160 -0.136 -0.898) 0.923 24.555 ( -0.160 -0.136 0.898) 0.923 24.746 ( -0.005 0.449 -0.184) 0.485 24.746 ( 0.005 0.449 0.184) 0.485 26.101 ( -0.687 -1.102 -1.463) 1.956 26.101 ( 0.687 -1.102 1.463) 1.956 26.408 ( -0.884 0.549 -1.110) 1.522 26.408 ( 0.884 0.549 1.110) 1.522 26.878 ( 0.296 0.985 -4.589) 4.703 26.878 ( -0.296 0.985 4.589) 4.703 27.283 ( 0.326 1.433 -6.442) 6.608 27.283 ( -0.326 1.433 6.442) 6.608 28.900 ( 0.344 -0.072 -3.041) 3.061 28.900 ( -0.344 -0.072 3.041) 3.061 29.605 ( -0.058 -1.872 -3.292) 3.787 29.605 ( 0.058 -1.872 3.292) 3.787 ======================= Grid point 155 (76/80) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 5.177 4.218 -11.903) 13.648 1.565 ( 5.890 5.180 4.254) 8.923 1.731 ( -2.059 4.292 -0.767) 4.822 1.823 ( 0.907 4.017 -0.260) 4.126 1.915 ( -1.954 2.763 -0.206) 3.391 2.020 ( -4.735 0.838 3.960) 6.230 2.085 ( 0.706 4.138 -3.474) 5.449 2.198 ( -0.075 4.157 2.153) 4.683 2.253 ( 3.604 4.959 -1.563) 6.327 2.291 ( 5.656 5.282 -1.881) 7.964 2.480 ( -2.491 1.629 -3.906) 4.911 2.640 ( 3.464 -0.526 4.532) 5.728 2.668 ( -5.227 1.440 -1.227) 5.559 2.754 ( -3.934 -0.312 0.336) 3.961 2.840 ( -2.912 2.070 0.835) 3.669 2.891 ( 1.124 -0.806 1.567) 2.090 2.990 ( -1.656 2.590 -0.417) 3.102 2.996 ( -2.249 2.553 0.741) 3.482 3.099 ( -2.653 -2.190 4.956) 6.033 3.121 ( -0.906 -2.035 -0.419) 2.267 3.288 ( -5.386 4.877 -1.573) 7.435 3.386 ( -1.758 -1.301 -0.740) 2.309 3.396 ( -0.928 2.561 2.330) 3.584 3.571 ( 1.677 0.991 3.696) 4.178 3.603 ( -4.284 -2.896 -3.647) 6.328 3.628 ( -2.855 -2.563 -2.486) 4.572 3.661 ( -0.238 5.741 4.094) 7.055 3.845 ( -1.777 -3.166 -1.687) 4.004 4.002 ( 3.881 6.948 -0.090) 7.959 4.021 ( 6.413 4.905 5.157) 9.580 4.087 ( 2.111 1.003 -1.871) 2.994 4.204 ( 4.683 1.478 -0.266) 4.918 4.508 ( 0.021 9.864 -0.987) 9.914 4.553 ( 0.986 7.224 3.396) 8.043 5.032 ( 2.737 8.475 -8.676) 12.434 5.057 ( 2.181 7.003 3.355) 8.066 5.123 ( -0.747 5.262 -0.404) 5.330 5.174 ( 0.916 2.463 -1.360) 2.960 5.427 ( -1.147 -1.893 -1.986) 2.974 5.474 ( -0.407 -4.428 3.805) 5.853 6.330 ( 0.525 2.021 0.121) 2.092 6.363 ( 0.881 1.226 -0.344) 1.548 6.477 ( 1.088 -1.225 -0.741) 1.798 6.515 ( 1.681 -3.301 0.069) 3.705 6.781 ( 1.677 -1.973 4.013) 4.776 6.815 ( 2.588 -3.808 -1.867) 4.969 7.324 ( -0.315 -1.157 -0.549) 1.319 7.341 ( 0.041 -1.975 -0.434) 2.022 7.585 ( -0.315 1.815 1.160) 2.177 7.609 ( 0.447 0.781 -1.188) 1.490 7.754 ( 0.912 -2.411 -8.249) 8.642 7.781 ( 0.107 -3.467 7.743) 8.485 7.973 ( -1.823 6.205 4.367) 7.804 7.998 ( -0.407 5.055 -5.637) 7.583 8.605 ( 0.202 -0.289 -0.740) 0.820 8.642 ( 0.905 -2.151 1.749) 2.916 9.019 ( -2.094 -5.623 0.967) 6.078 9.032 ( -1.631 -5.968 0.025) 6.187 9.327 ( -0.808 -2.527 -2.595) 3.711 9.337 ( -1.037 -3.441 1.843) 4.039 10.483 ( 0.592 -3.795 2.043) 4.351 10.499 ( 1.207 -4.523 -1.926) 5.062 11.411 ( -1.238 1.059 6.449) 6.652 11.418 ( -0.006 0.775 -6.680) 6.725 12.636 ( 0.913 -1.445 -4.460) 4.777 12.656 ( 0.513 -2.152 5.047) 5.510 13.275 ( -0.545 -5.913 6.291) 8.650 13.279 ( 0.614 -6.340 -6.490) 9.094 13.562 ( -0.179 7.690 -1.326) 7.806 13.606 ( 0.683 6.843 -0.042) 6.877 13.966 ( -2.155 -2.524 -0.048) 3.320 14.047 ( -0.999 -5.673 1.358) 5.918 14.510 ( 1.704 4.453 2.403) 5.339 14.581 ( 3.178 0.540 -2.898) 4.335 15.377 ( -0.889 -2.666 1.283) 3.090 15.386 ( -0.484 -2.886 -1.030) 3.103 16.455 ( -1.053 3.137 5.027) 6.018 16.470 ( 0.126 2.410 -5.650) 6.144 16.623 ( -0.124 -2.043 -7.641) 7.911 16.655 ( -0.816 -3.262 7.807) 8.501 24.549 ( -0.450 -0.033 0.530) 0.696 24.553 ( -0.269 -0.173 -0.808) 0.869 24.744 ( -0.113 0.491 0.092) 0.512 24.747 ( -0.056 0.362 0.118) 0.385 26.075 ( -0.894 -0.353 -0.487) 1.077 26.110 ( -0.600 -2.260 0.937) 2.519 26.411 ( 1.554 1.306 -1.165) 2.341 26.445 ( 1.848 -0.441 0.298) 1.923 26.875 ( 0.232 1.064 -3.882) 4.032 26.879 ( -0.382 0.875 4.174) 4.282 27.286 ( 0.974 1.512 -5.282) 5.580 27.295 ( 0.224 1.036 5.580) 5.680 28.907 ( 0.494 -0.170 2.414) 2.470 28.911 ( 0.978 -0.408 -2.084) 2.338 29.585 ( -1.037 -1.087 -2.471) 2.891 29.599 ( -1.105 -1.805 2.019) 2.925 ======================= Grid point 156 (77/80) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 3.813 4.835 -7.031) 9.346 1.684 ( -2.393 5.216 -0.155) 5.741 1.724 ( 7.531 1.471 -0.342) 7.681 1.811 ( -2.023 1.818 3.207) 4.205 1.878 ( 0.627 4.288 -1.457) 4.572 1.983 ( -5.551 1.897 2.149) 6.248 2.069 ( 3.697 0.558 -2.933) 4.752 2.164 ( -4.059 0.609 2.421) 4.765 2.343 ( 4.776 6.748 -1.737) 8.448 2.391 ( 1.757 5.499 -2.082) 6.137 2.458 ( 2.720 8.853 0.103) 9.262 2.566 ( -5.019 7.328 -0.616) 8.904 2.679 ( 0.535 3.998 -5.213) 6.591 2.720 ( -1.404 -0.959 9.247) 9.402 2.788 ( -0.135 4.079 1.117) 4.231 2.862 ( -4.212 1.179 -2.259) 4.922 2.935 ( -0.496 -0.860 0.820) 1.287 2.949 ( -1.525 -0.222 -0.120) 1.546 3.058 ( -1.110 -5.373 3.549) 6.534 3.093 ( -2.807 -5.286 -1.240) 6.112 3.256 ( 1.740 1.055 2.185) 2.985 3.322 ( -3.464 -0.563 -2.965) 4.594 3.405 ( 2.073 0.947 4.950) 5.449 3.490 ( -4.556 -0.195 -4.553) 6.444 3.588 ( 0.075 -0.901 6.731) 6.791 3.607 ( -0.425 -0.501 -5.643) 5.682 3.704 ( 3.111 -1.554 3.043) 4.621 3.776 ( -3.451 -2.583 -1.896) 4.709 4.080 ( 2.990 6.176 -1.503) 7.024 4.105 ( 0.436 5.469 1.503) 5.688 4.176 ( 5.314 4.107 1.727) 6.934 4.243 ( -0.720 3.298 -1.453) 3.675 4.527 ( 1.849 9.074 -0.657) 9.284 4.560 ( -1.056 7.245 2.421) 7.711 5.072 ( 2.249 11.240 -10.676) 15.664 5.086 ( -0.531 9.472 7.598) 12.155 5.137 ( 2.101 1.815 0.747) 2.876 5.176 ( -0.843 1.274 -1.417) 2.084 5.421 ( 1.332 -2.956 -4.551) 5.588 5.454 ( -2.147 -4.408 5.325) 7.238 6.353 ( 1.293 2.236 -0.139) 2.587 6.370 ( -0.228 1.860 -0.064) 1.875 6.509 ( 1.776 -2.043 -1.026) 2.895 6.531 ( -0.324 -3.289 1.084) 3.478 6.833 ( 2.020 -2.558 2.781) 4.284 6.851 ( 0.784 -3.567 -1.818) 4.079 7.324 ( 0.461 -1.701 -0.802) 1.936 7.335 ( -0.525 -2.229 0.220) 2.300 7.588 ( 0.355 1.231 1.851) 2.251 7.603 ( -0.627 0.467 -1.931) 2.083 7.770 ( 1.745 -2.127 -7.853) 8.321 7.786 ( -0.966 -2.811 7.523) 8.089 7.956 ( -0.384 5.477 4.760) 7.267 7.972 ( -0.862 4.686 -5.512) 7.286 8.622 ( 1.504 -1.062 -1.212) 2.204 8.648 ( -0.789 -2.444 1.823) 3.149 8.983 ( -1.089 -4.583 2.599) 5.380 8.993 ( -1.453 -4.979 -2.005) 5.561 9.313 ( -0.017 -1.962 -2.883) 3.487 9.318 ( -0.960 -2.481 2.441) 3.611 10.503 ( 0.775 -3.609 1.965) 4.182 10.513 ( 0.316 -4.038 -1.891) 4.470 11.400 ( -0.790 0.829 6.705) 6.802 11.404 ( 0.013 0.664 -6.850) 6.882 12.654 ( 1.342 -1.784 -4.372) 4.909 12.666 ( -0.485 -2.215 4.748) 5.262 13.276 ( -0.413 -5.888 6.299) 8.632 13.279 ( 0.444 -6.143 -6.434) 8.906 13.572 ( 1.286 8.349 -1.271) 8.543 13.600 ( -1.209 8.036 0.485) 8.141 13.956 ( 1.263 -4.822 -0.818) 5.051 14.002 ( -2.969 -6.277 1.535) 7.112 14.573 ( 3.046 3.094 2.714) 5.120 14.613 ( 0.062 0.923 -2.989) 3.128 15.365 ( -0.366 -2.384 1.573) 2.880 15.371 ( -0.574 -2.554 -1.411) 2.974 16.447 ( -0.402 3.615 4.932) 6.128 16.456 ( -0.306 3.270 -5.329) 6.259 16.622 ( 1.249 -2.457 -7.457) 7.950 16.641 ( -1.673 -3.118 7.574) 8.360 24.543 ( -0.183 -0.012 0.556) 0.585 24.545 ( -0.255 -0.098 -0.729) 0.779 24.743 ( 0.030 0.426 0.052) 0.430 24.745 ( -0.127 0.346 0.078) 0.377 26.070 ( 0.488 -0.938 -0.573) 1.203 26.089 ( -1.303 -1.926 0.797) 2.458 26.449 ( 1.842 0.541 -0.918) 2.128 26.468 ( 0.084 -0.363 0.438) 0.575 26.875 ( 0.386 1.001 -3.794) 3.943 26.877 ( -0.441 0.888 3.978) 4.100 27.300 ( 1.101 1.148 -5.940) 6.149 27.305 ( -0.363 0.854 6.122) 6.192 28.922 ( 0.404 -0.592 2.385) 2.490 28.925 ( 0.566 -0.764 -2.166) 2.365 29.566 ( -0.129 -0.492 -2.216) 2.274 29.576 ( -1.249 -0.960 1.921) 2.484 ======================= Grid point 159 (78/80) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.000 0.000 0.000) 0.000 1.563 ( -0.000 0.000 0.000) 0.000 1.775 ( -0.000 0.000 0.000) 0.000 1.775 ( -0.000 0.000 0.000) 0.000 2.093 ( 0.000 -0.000 -0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.140 ( -0.000 0.000 0.000) 0.000 2.330 ( -0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 2.751 ( -0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.043 ( -0.000 0.000 0.000) 0.000 3.114 ( -0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.402 ( -0.000 0.000 0.000) 0.000 3.402 ( -0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 -0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.700 ( -0.000 0.000 0.000) 0.000 3.700 ( -0.000 0.000 0.000) 0.000 3.767 ( -0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 -0.000 -0.000) 0.000 4.021 ( -0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 -0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.633 ( -0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 -0.000) 0.000 5.071 ( -0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.181 ( -0.000 0.000 0.000) 0.000 5.458 ( -0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 6.357 ( -0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.449 ( -0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.750 ( -0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 7.313 ( -0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.620 ( 0.000 -0.000 -0.000) 0.000 7.620 ( 0.000 0.000 -0.000) 0.000 7.717 ( -0.000 0.000 0.000) 0.000 7.717 ( 0.000 0.000 0.000) 0.000 8.065 ( -0.000 0.000 0.000) 0.000 8.065 ( 0.000 0.000 0.000) 0.000 8.615 ( -0.000 0.000 0.000) 0.000 8.615 ( 0.000 0.000 0.000) 0.000 8.965 ( -0.000 -0.000 -0.000) 0.000 8.965 ( -0.000 0.000 0.000) 0.000 9.313 ( -0.000 0.000 0.000) 0.000 9.313 ( -0.000 0.000 0.000) 0.000 10.435 ( -0.000 0.000 0.000) 0.000 10.435 ( -0.000 0.000 0.000) 0.000 11.435 ( 0.000 0.000 0.000) 0.000 11.435 ( -0.000 0.000 0.000) 0.000 12.618 ( 0.000 0.000 0.000) 0.000 12.618 ( -0.000 0.000 0.000) 0.000 13.217 ( 0.000 0.000 0.000) 0.000 13.217 ( 0.000 0.000 0.000) 0.000 13.652 ( -0.000 0.000 0.000) 0.000 13.652 ( -0.000 0.000 0.000) 0.000 13.991 ( -0.000 0.000 0.000) 0.000 13.991 ( 0.000 0.000 0.000) 0.000 14.545 ( -0.000 0.000 0.000) 0.000 14.545 ( -0.000 0.000 0.000) 0.000 15.357 ( -0.000 0.000 0.000) 0.000 15.357 ( 0.000 0.000 0.000) 0.000 16.498 ( -0.000 0.000 -0.000) 0.000 16.498 ( 0.000 0.000 0.000) 0.000 16.613 ( 0.000 0.000 -0.000) 0.000 16.613 ( -0.000 0.000 0.000) 0.000 24.554 ( -0.000 0.000 0.000) 0.000 24.554 ( 0.000 0.000 0.000) 0.000 24.751 ( -0.000 0.000 0.000) 0.000 24.751 ( 0.000 0.000 0.000) 0.000 26.090 ( -0.000 0.000 0.000) 0.000 26.090 ( 0.000 0.000 0.000) 0.000 26.413 ( 0.000 0.000 -0.000) 0.000 26.413 ( -0.000 0.000 0.000) 0.000 26.889 ( -0.000 0.000 0.000) 0.000 26.889 ( 0.000 0.000 0.000) 0.000 27.296 ( -0.000 0.000 0.000) 0.000 27.296 ( 0.000 0.000 0.000) 0.000 28.899 ( 0.000 0.000 0.000) 0.000 28.899 ( -0.000 0.000 0.000) 0.000 29.587 ( -0.000 0.000 0.000) 0.000 29.587 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 163 (79/80) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 4.135 -1.225 -5.595) 7.064 1.605 ( 4.135 1.225 -5.595) 7.064 1.808 ( 2.532 -3.660 -0.762) 4.515 1.808 ( 2.532 3.660 -0.762) 4.515 1.987 ( -6.399 -3.288 5.457) 9.030 1.987 ( -6.399 3.288 5.457) 9.030 2.165 ( -0.252 -4.237 -4.368) 6.091 2.165 ( -0.252 4.237 -4.368) 6.091 2.375 ( 3.931 -3.939 -2.507) 6.104 2.375 ( 3.931 3.939 -2.507) 6.104 2.531 ( 3.517 -7.092 2.500) 8.302 2.531 ( 3.517 7.092 2.500) 8.302 2.710 ( -2.748 -2.985 1.550) 4.344 2.710 ( -2.748 2.985 1.550) 4.344 2.886 ( -1.388 -1.945 2.810) 3.689 2.886 ( -1.388 1.945 2.810) 3.689 3.027 ( -0.718 -0.255 -3.394) 3.478 3.027 ( -0.718 0.255 -3.394) 3.478 3.080 ( -4.032 -0.686 3.488) 5.375 3.080 ( -4.032 0.686 3.488) 5.375 3.366 ( -3.587 -2.240 -3.461) 5.464 3.366 ( -3.587 2.240 -3.461) 5.464 3.474 ( -1.849 -5.353 3.291) 6.550 3.474 ( -1.849 5.353 3.291) 6.550 3.606 ( -3.513 -0.368 -1.112) 3.704 3.606 ( -3.513 0.368 -1.112) 3.704 3.765 ( -2.198 -4.823 1.059) 5.405 3.765 ( -2.198 4.823 1.059) 5.405 4.066 ( 4.839 -2.556 0.273) 5.480 4.066 ( 4.839 2.556 0.273) 5.480 4.161 ( 5.616 -5.421 1.273) 7.909 4.161 ( 5.616 5.421 1.273) 7.909 4.634 ( 0.162 -1.132 0.937) 1.479 4.634 ( 0.162 1.132 0.937) 1.479 5.105 ( 3.108 -1.180 -3.038) 4.503 5.105 ( 3.108 1.180 -3.038) 4.503 5.176 ( -0.228 -1.366 -1.558) 2.085 5.176 ( -0.228 1.366 -1.558) 2.085 5.448 ( -1.033 -0.880 1.399) 1.949 5.448 ( -1.033 0.880 1.399) 1.949 6.363 ( 0.739 -1.161 0.150) 1.384 6.363 ( 0.739 1.161 0.150) 1.384 6.468 ( 1.387 -1.005 0.135) 1.718 6.468 ( 1.387 1.005 0.135) 1.718 6.773 ( 1.999 -0.832 0.744) 2.289 6.773 ( 1.999 0.832 0.744) 2.289 7.308 ( -0.362 -0.504 -0.618) 0.876 7.308 ( -0.362 0.504 -0.618) 0.876 7.615 ( -0.285 -0.715 -1.219) 1.442 7.615 ( -0.285 0.715 -1.219) 1.442 7.728 ( 0.820 -0.812 1.065) 1.571 7.728 ( 0.820 0.812 1.065) 1.571 8.048 ( -1.347 -0.704 -0.671) 1.661 8.048 ( -1.347 0.704 -0.671) 1.661 8.619 ( 0.311 -0.927 0.473) 1.087 8.619 ( 0.311 0.927 0.473) 1.087 8.950 ( -1.319 -0.398 0.383) 1.430 8.950 ( -1.319 0.398 0.383) 1.430 9.306 ( -0.557 -0.150 -0.163) 0.599 9.306 ( -0.557 0.150 -0.163) 0.599 10.448 ( 1.052 -0.409 0.100) 1.133 10.448 ( 1.052 0.409 0.100) 1.133 11.427 ( -0.706 -0.185 -0.203) 0.758 11.427 ( -0.706 0.185 -0.203) 0.758 12.625 ( 0.595 -0.599 0.237) 0.877 12.625 ( 0.595 0.599 0.237) 0.877 13.217 ( 0.061 -0.074 0.041) 0.105 13.217 ( 0.061 0.074 0.041) 0.105 13.662 ( 1.004 -1.669 -0.762) 2.091 13.662 ( 1.004 1.669 -0.762) 2.091 13.960 ( -2.678 -2.512 0.613) 3.723 13.960 ( -2.678 2.512 0.613) 3.723 14.573 ( 2.316 -1.726 -0.312) 2.905 14.573 ( 2.316 1.726 -0.312) 2.905 15.351 ( -0.519 -0.270 0.201) 0.619 15.351 ( -0.519 0.270 0.201) 0.619 16.497 ( 0.008 -0.521 -0.793) 0.949 16.497 ( 0.008 0.521 -0.793) 0.949 16.606 ( -0.682 -1.055 0.670) 1.423 16.606 ( -0.682 1.055 0.670) 1.423 24.550 ( -0.328 -0.099 -0.156) 0.377 24.550 ( -0.328 0.099 -0.156) 0.377 24.750 ( -0.104 -0.081 0.113) 0.173 24.750 ( -0.104 0.081 0.113) 0.173 26.080 ( -0.843 -0.873 0.249) 1.239 26.080 ( -0.843 0.873 0.249) 1.239 26.431 ( 1.528 -0.880 -0.373) 1.802 26.431 ( 1.528 0.880 -0.373) 1.802 26.889 ( -0.072 -0.078 0.114) 0.156 26.889 ( -0.072 0.078 0.114) 0.156 27.302 ( 0.470 -0.207 0.046) 0.516 27.302 ( 0.470 0.207 0.046) 0.516 28.906 ( 0.554 -0.092 0.110) 0.572 28.906 ( 0.554 0.092 0.110) 0.572 29.578 ( -0.732 -0.373 -0.113) 0.829 29.578 ( -0.732 0.373 -0.113) 0.829 ======================= Grid point 165 (80/80) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 4.858 -2.213 -8.920) 10.395 1.689 ( 4.858 2.213 -8.920) 10.395 1.793 ( -4.760 -3.356 7.812) 9.744 1.793 ( -4.760 3.356 7.812) 9.744 1.964 ( 3.697 -3.779 -1.172) 5.415 1.964 ( 3.697 3.779 -1.172) 5.415 2.115 ( -3.545 -3.857 -1.289) 5.395 2.115 ( -3.545 3.857 -1.289) 5.395 2.437 ( 1.658 -1.808 0.244) 2.466 2.437 ( 1.658 1.808 0.244) 2.466 2.625 ( 4.952 -7.387 -1.552) 9.028 2.625 ( 4.952 7.387 -1.552) 9.028 2.683 ( -0.638 -3.970 1.927) 4.459 2.683 ( -0.638 3.970 1.927) 4.459 2.852 ( -1.707 -2.537 1.261) 3.307 2.852 ( -1.707 2.537 1.261) 3.307 2.970 ( -3.376 -3.077 3.705) 5.881 2.970 ( -3.376 3.077 3.705) 5.881 2.996 ( -3.571 -3.550 -2.769) 5.747 2.996 ( -3.571 3.550 -2.769) 5.747 3.306 ( -0.714 -2.738 -0.036) 2.830 3.306 ( -0.714 2.738 -0.036) 2.830 3.423 ( -2.304 -3.287 -0.634) 4.064 3.423 ( -2.304 3.287 -0.634) 4.064 3.608 ( 1.754 -1.646 0.610) 2.481 3.608 ( 1.754 1.646 0.610) 2.481 3.710 ( -2.404 -3.119 0.386) 3.956 3.710 ( -2.404 3.119 0.386) 3.956 4.161 ( 3.212 -1.718 -0.206) 3.649 4.161 ( 3.212 1.718 -0.206) 3.649 4.236 ( 1.353 -3.149 0.567) 3.474 4.236 ( 1.353 3.149 0.567) 3.474 4.643 ( 0.362 -0.847 0.882) 1.275 4.643 ( 0.362 0.847 0.882) 1.275 5.145 ( 0.329 -0.586 -0.117) 0.682 5.145 ( 0.329 0.586 -0.117) 0.682 5.185 ( 1.655 -1.398 -3.062) 3.751 5.185 ( 1.655 1.398 -3.062) 3.751 5.426 ( -1.004 -0.770 1.269) 1.792 5.426 ( -1.004 0.770 1.269) 1.792 6.383 ( 0.820 -0.636 0.001) 1.038 6.383 ( 0.820 0.636 0.001) 1.038 6.490 ( 0.526 -0.589 0.268) 0.835 6.490 ( 0.526 0.590 0.268) 0.835 6.814 ( 1.292 -0.430 0.381) 1.414 6.814 ( 1.292 0.430 0.381) 1.414 7.300 ( -0.234 -0.331 -0.369) 0.549 7.300 ( -0.234 0.331 -0.369) 0.549 7.608 ( -0.189 -0.413 -0.652) 0.795 7.608 ( -0.189 0.413 -0.652) 0.795 7.746 ( 0.510 -0.449 0.534) 0.864 7.746 ( 0.510 0.449 0.534) 0.864 8.021 ( -0.839 -0.446 -0.419) 1.039 8.021 ( -0.839 0.446 -0.419) 1.039 8.627 ( 0.228 -0.614 0.281) 0.712 8.627 ( 0.228 0.614 0.281) 0.712 8.924 ( -0.905 -0.272 0.246) 0.977 8.924 ( -0.905 0.272 0.246) 0.977 9.296 ( -0.305 -0.080 -0.103) 0.331 9.296 ( -0.305 0.080 -0.103) 0.331 10.468 ( 0.646 -0.247 0.063) 0.694 10.468 ( 0.646 0.247 0.063) 0.694 11.413 ( -0.445 -0.113 -0.125) 0.476 11.413 ( -0.445 0.113 -0.125) 0.476 12.637 ( 0.366 -0.372 0.149) 0.543 12.637 ( 0.366 0.372 0.149) 0.543 13.219 ( 0.040 -0.046 0.025) 0.066 13.219 ( 0.040 0.046 0.025) 0.066 13.683 ( 0.825 -1.315 -0.561) 1.651 13.683 ( 0.825 1.315 -0.561) 1.651 13.909 ( -1.729 -1.730 0.447) 2.486 13.909 ( -1.729 1.730 0.447) 2.486 14.615 ( 1.326 -0.978 -0.176) 1.657 14.615 ( 1.326 0.978 -0.176) 1.657 15.341 ( -0.353 -0.180 0.127) 0.416 15.341 ( -0.353 0.180 0.127) 0.416 16.497 ( 0.044 -0.390 -0.542) 0.669 16.497 ( 0.044 0.390 -0.542) 0.669 16.593 ( -0.456 -0.713 0.467) 0.967 16.593 ( -0.456 0.713 0.467) 0.967 24.543 ( -0.201 -0.061 -0.096) 0.231 24.543 ( -0.201 0.061 -0.096) 0.231 24.748 ( -0.063 -0.050 0.069) 0.106 24.748 ( -0.063 0.050 0.069) 0.106 26.066 ( -0.429 -0.475 0.135) 0.654 26.066 ( -0.429 0.475 0.135) 0.654 26.458 ( 0.835 -0.484 -0.213) 0.988 26.458 ( 0.835 0.484 -0.213) 0.988 26.888 ( -0.026 -0.051 0.071) 0.091 26.888 ( -0.026 0.051 0.071) 0.091 27.311 ( 0.284 -0.127 0.029) 0.312 27.311 ( 0.284 0.127 0.029) 0.312 28.917 ( 0.360 -0.063 0.071) 0.373 28.917 ( 0.360 0.063 0.071) 0.373 29.564 ( -0.469 -0.236 -0.073) 0.530 29.564 ( -0.469 0.236 -0.073) 0.530 =================== 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 3/23040 10.0 220.811 319.537 320.667 0.000 -3.848 0.000 3/23040 20.0 41.144 62.405 70.186 0.000 -0.053 0.000 3/23040 30.0 17.016 27.058 30.546 0.000 -0.508 0.000 3/23040 40.0 10.199 16.426 18.231 0.000 -0.458 0.000 3/23040 50.0 7.229 11.683 12.776 0.000 -0.366 0.000 3/23040 60.0 5.586 9.041 9.780 0.000 -0.292 0.000 3/23040 70.0 4.544 7.365 7.908 0.000 -0.238 0.000 3/23040 80.0 3.826 6.212 6.636 0.000 -0.199 0.000 3/23040 90.0 3.302 5.371 5.719 0.000 -0.171 0.000 3/23040 100.0 2.904 4.733 5.029 0.000 -0.150 0.000 3/23040 110.0 2.591 4.232 4.492 0.000 -0.133 0.000 3/23040 120.0 2.340 3.830 4.063 0.000 -0.120 0.000 3/23040 130.0 2.134 3.500 3.712 0.000 -0.109 0.000 3/23040 140.0 1.962 3.224 3.420 0.000 -0.101 0.000 3/23040 150.0 1.816 2.990 3.173 0.000 -0.093 0.000 3/23040 160.0 1.690 2.789 2.962 0.000 -0.087 0.000 3/23040 170.0 1.582 2.614 2.778 0.000 -0.082 0.000 3/23040 180.0 1.487 2.461 2.618 0.000 -0.077 0.000 3/23040 190.0 1.402 2.325 2.476 0.000 -0.073 0.000 3/23040 200.0 1.327 2.205 2.350 0.000 -0.070 0.000 3/23040 210.0 1.260 2.097 2.237 0.000 -0.067 0.000 3/23040 220.0 1.200 1.999 2.135 0.000 -0.064 0.000 3/23040 230.0 1.145 1.910 2.043 0.000 -0.061 0.000 3/23040 240.0 1.095 1.829 1.958 0.000 -0.059 0.000 3/23040 250.0 1.050 1.755 1.881 0.000 -0.056 0.000 3/23040 260.0 1.008 1.687 1.810 0.000 -0.054 0.000 3/23040 270.0 0.969 1.625 1.745 0.000 -0.053 0.000 3/23040 280.0 0.934 1.566 1.684 0.000 -0.051 0.000 3/23040 290.0 0.901 1.512 1.628 0.000 -0.049 0.000 3/23040 300.0 0.870 1.462 1.576 0.000 -0.048 0.000 3/23040 310.0 0.841 1.415 1.526 0.000 -0.046 0.000 3/23040 320.0 0.814 1.371 1.481 0.000 -0.045 0.000 3/23040 330.0 0.789 1.330 1.437 0.000 -0.044 0.000 3/23040 340.0 0.766 1.291 1.397 0.000 -0.043 0.000 3/23040 350.0 0.743 1.254 1.358 0.000 -0.042 0.000 3/23040 360.0 0.722 1.220 1.322 0.000 -0.041 0.000 3/23040 370.0 0.703 1.187 1.288 0.000 -0.040 0.000 3/23040 380.0 0.684 1.156 1.256 0.000 -0.039 0.000 3/23040 390.0 0.666 1.127 1.225 0.000 -0.038 0.000 3/23040 400.0 0.649 1.099 1.195 0.000 -0.037 0.000 3/23040 410.0 0.633 1.073 1.168 0.000 -0.036 0.000 3/23040 420.0 0.618 1.048 1.141 0.000 -0.035 0.000 3/23040 430.0 0.604 1.024 1.116 0.000 -0.035 0.000 3/23040 440.0 0.590 1.001 1.091 0.000 -0.034 0.000 3/23040 450.0 0.577 0.979 1.068 0.000 -0.033 0.000 3/23040 460.0 0.564 0.958 1.046 0.000 -0.033 0.000 3/23040 470.0 0.552 0.938 1.024 0.000 -0.032 0.000 3/23040 480.0 0.541 0.918 1.004 0.000 -0.031 0.000 3/23040 490.0 0.530 0.900 0.984 0.000 -0.031 0.000 3/23040 500.0 0.519 0.882 0.965 0.000 -0.030 0.000 3/23040 510.0 0.509 0.865 0.947 0.000 -0.030 0.000 3/23040 520.0 0.499 0.849 0.930 0.000 -0.029 0.000 3/23040 530.0 0.490 0.833 0.913 0.000 -0.029 0.000 3/23040 540.0 0.480 0.818 0.897 0.000 -0.028 0.000 3/23040 550.0 0.472 0.803 0.881 0.000 -0.028 0.000 3/23040 560.0 0.463 0.789 0.866 0.000 -0.027 0.000 3/23040 570.0 0.455 0.775 0.851 0.000 -0.027 0.000 3/23040 580.0 0.447 0.762 0.837 0.000 -0.026 0.000 3/23040 590.0 0.440 0.749 0.823 0.000 -0.026 0.000 3/23040 600.0 0.432 0.737 0.810 0.000 -0.025 0.000 3/23040 610.0 0.425 0.725 0.797 0.000 -0.025 0.000 3/23040 620.0 0.418 0.714 0.785 0.000 -0.025 0.000 3/23040 630.0 0.412 0.702 0.773 0.000 -0.024 0.000 3/23040 640.0 0.405 0.692 0.761 0.000 -0.024 0.000 3/23040 650.0 0.399 0.681 0.750 0.000 -0.024 0.000 3/23040 660.0 0.393 0.671 0.739 0.000 -0.023 0.000 3/23040 670.0 0.387 0.661 0.728 0.000 -0.023 0.000 3/23040 680.0 0.382 0.651 0.718 0.000 -0.023 0.000 3/23040 690.0 0.376 0.642 0.708 0.000 -0.022 0.000 3/23040 700.0 0.371 0.633 0.698 0.000 -0.022 0.000 3/23040 710.0 0.365 0.624 0.688 0.000 -0.022 0.000 3/23040 720.0 0.360 0.616 0.679 0.000 -0.021 0.000 3/23040 730.0 0.355 0.607 0.670 0.000 -0.021 0.000 3/23040 740.0 0.351 0.599 0.661 0.000 -0.021 0.000 3/23040 750.0 0.346 0.591 0.653 0.000 -0.021 0.000 3/23040 760.0 0.341 0.584 0.644 0.000 -0.020 0.000 3/23040 770.0 0.337 0.576 0.636 0.000 -0.020 0.000 3/23040 780.0 0.333 0.569 0.628 0.000 -0.020 0.000 3/23040 790.0 0.329 0.562 0.620 0.000 -0.020 0.000 3/23040 800.0 0.324 0.555 0.613 0.000 -0.019 0.000 3/23040 810.0 0.320 0.548 0.605 0.000 -0.019 0.000 3/23040 820.0 0.317 0.541 0.598 0.000 -0.019 0.000 3/23040 830.0 0.313 0.535 0.591 0.000 -0.019 0.000 3/23040 840.0 0.309 0.529 0.584 0.000 -0.019 0.000 3/23040 850.0 0.305 0.522 0.578 0.000 -0.018 0.000 3/23040 860.0 0.302 0.516 0.571 0.000 -0.018 0.000 3/23040 870.0 0.298 0.511 0.565 0.000 -0.018 0.000 3/23040 880.0 0.295 0.505 0.558 0.000 -0.018 0.000 3/23040 890.0 0.292 0.499 0.552 0.000 -0.018 0.000 3/23040 900.0 0.288 0.494 0.546 0.000 -0.017 0.000 3/23040 910.0 0.285 0.488 0.540 0.000 -0.017 0.000 3/23040 920.0 0.282 0.483 0.535 0.000 -0.017 0.000 3/23040 930.0 0.279 0.478 0.529 0.000 -0.017 0.000 3/23040 940.0 0.276 0.473 0.523 0.000 -0.017 0.000 3/23040 950.0 0.273 0.468 0.518 0.000 -0.016 0.000 3/23040 960.0 0.270 0.463 0.513 0.000 -0.016 0.000 3/23040 970.0 0.268 0.458 0.508 0.000 -0.016 0.000 3/23040 980.0 0.265 0.454 0.503 0.000 -0.016 0.000 3/23040 990.0 0.262 0.449 0.498 0.000 -0.016 0.000 3/23040 1000.0 0.260 0.445 0.493 0.000 -0.016 0.000 3/23040 Thermal conductivity related properties were written into "kappa-m586.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:10:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|