----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:00:34]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.984802487138242 0.000000000000000 0.000000000000000 b 0.000000000000000 16.164067989999999 0.000000000000000 c -2.438573112730900 0.000000000000000 5.500289246356957 Atomic positions (fractional): *1 Na 0.58382460144014 0.66612182567481 0.53580684389749 22.990 2 Na 0.41617539855986 0.16612182567481 0.96419315610251 22.990 3 Na 0.41617539855986 0.33387817432519 0.46419315610251 22.990 4 Na 0.58382460144014 0.83387817432519 0.03580684389749 22.990 *5 Na 0.78450587812943 0.02185249965916 0.66746681146515 22.990 6 Na 0.78450587812943 0.47814750034084 0.16746681146515 22.990 7 Na 0.21549412187057 0.52185249965916 0.83253318853485 22.990 8 Na 0.21549412187057 0.97814750034084 0.33253318853485 22.990 *9 Ge 0.01431601696473 0.33090394134317 0.83364315744932 72.640 10 Ge 0.98568398303527 0.83090394134317 0.66635684255068 72.640 11 Ge 0.98568398303527 0.66909605865683 0.16635684255068 72.640 12 Ge 0.01431601696473 0.16909605865683 0.33364315744932 72.640 *13 Se 0.62884410436373 0.85079318774632 0.55723549089116 78.960 14 Se 0.37115589563627 0.35079318774632 0.94276450910884 78.960 15 Se 0.37115589563627 0.14920681225368 0.44276450910884 78.960 16 Se 0.62884410436373 0.64920681225368 0.05723549089116 78.960 *17 Se 0.91752239638811 0.19426512684807 0.66893733247145 78.960 18 Se 0.08247760361189 0.69426512684807 0.83106266752854 78.960 19 Se 0.08247760361189 0.80573487315193 0.33106266752855 78.960 20 Se 0.91752239638811 0.30573487315193 0.16893733247146 78.960 *21 Se 0.21035728421103 0.94173790991003 0.84198808123439 78.960 22 Se 0.78964271578897 0.44173790991003 0.65801191876561 78.960 23 Se 0.78964271578897 0.05826209008997 0.15801191876561 78.960 24 Se 0.21035728421103 0.55826209008997 0.34198808123439 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.984802487138242 0.000000000000000 0.000000000000000 b 0.000000000000000 16.164067989999999 0.000000000000000 c -2.438573112730900 0.000000000000000 5.500289246356957 Atomic positions (fractional): *1 Na 0.58382460144014 0.66612182567481 0.53580684389749 22.990 > 1 2 Na 0.41617539855986 0.16612182567481 0.96419315610251 22.990 > 2 3 Na 0.41617539855986 0.33387817432519 0.46419315610251 22.990 > 3 4 Na 0.58382460144014 0.83387817432519 0.03580684389749 22.990 > 4 *5 Na 0.78450587812943 0.02185249965916 0.66746681146515 22.990 > 5 6 Na 0.78450587812943 0.47814750034084 0.16746681146515 22.990 > 6 7 Na 0.21549412187057 0.52185249965916 0.83253318853485 22.990 > 7 8 Na 0.21549412187057 0.97814750034084 0.33253318853485 22.990 > 8 *9 Ge 0.01431601696473 0.33090394134317 0.83364315744932 72.640 > 9 10 Ge 0.98568398303527 0.83090394134317 0.66635684255068 72.640 > 10 11 Ge 0.98568398303527 0.66909605865683 0.16635684255068 72.640 > 11 12 Ge 0.01431601696473 0.16909605865683 0.33364315744932 72.640 > 12 *13 Se 0.62884410436373 0.85079318774632 0.55723549089116 78.960 > 13 14 Se 0.37115589563627 0.35079318774632 0.94276450910884 78.960 > 14 15 Se 0.37115589563627 0.14920681225368 0.44276450910884 78.960 > 15 16 Se 0.62884410436373 0.64920681225368 0.05723549089117 78.960 > 16 *17 Se 0.91752239638811 0.19426512684807 0.66893733247146 78.960 > 17 18 Se 0.08247760361189 0.69426512684807 0.83106266752854 78.960 > 18 19 Se 0.08247760361189 0.80573487315193 0.33106266752855 78.960 > 19 20 Se 0.91752239638811 0.30573487315193 0.16893733247146 78.960 > 20 *21 Se 0.21035728421103 0.94173790991003 0.84198808123439 78.960 > 21 22 Se 0.78964271578897 0.44173790991003 0.65801191876561 78.960 > 22 23 Se 0.78964271578897 0.05826209008997 0.15801191876561 78.960 > 23 24 Se 0.21035728421103 0.55826209008997 0.34198808123439 78.960 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.969604974276484 0.000000000000000 0.000000000000000 b 0.000000000000000 16.164067989999999 0.000000000000000 c -7.315719338192700 0.000000000000000 16.500867739070870 Atomic positions (fractional): *1 Na 0.29191230072007 0.66612182567481 0.17860228129916 22.990 > 1 2 Na 0.79191230072007 0.66612182567481 0.17860228129916 22.990 > 1 3 Na 0.29191230072007 0.66612182567481 0.51193561463250 22.990 > 1 4 Na 0.79191230072007 0.66612182567481 0.51193561463250 22.990 > 1 5 Na 0.29191230072007 0.66612182567481 0.84526894796583 22.990 > 1 6 Na 0.79191230072007 0.66612182567481 0.84526894796583 22.990 > 1 7 Na 0.20808769927993 0.16612182567481 0.32139771870084 22.990 > 2 8 Na 0.70808769927993 0.16612182567481 0.32139771870084 22.990 > 2 9 Na 0.20808769927993 0.16612182567481 0.65473105203417 22.990 > 2 10 Na 0.70808769927993 0.16612182567481 0.65473105203417 22.990 > 2 11 Na 0.20808769927993 0.16612182567481 0.98806438536750 22.990 > 2 12 Na 0.70808769927993 0.16612182567481 0.98806438536750 22.990 > 2 13 Na 0.20808769927993 0.33387817432519 0.15473105203417 22.990 > 3 14 Na 0.70808769927993 0.33387817432519 0.15473105203417 22.990 > 3 15 Na 0.20808769927993 0.33387817432519 0.48806438536750 22.990 > 3 16 Na 0.70808769927993 0.33387817432519 0.48806438536750 22.990 > 3 17 Na 0.20808769927993 0.33387817432519 0.82139771870084 22.990 > 3 18 Na 0.70808769927993 0.33387817432519 0.82139771870084 22.990 > 3 19 Na 0.29191230072007 0.83387817432519 0.01193561463250 22.990 > 4 20 Na 0.79191230072007 0.83387817432519 0.01193561463250 22.990 > 4 21 Na 0.29191230072007 0.83387817432519 0.34526894796583 22.990 > 4 22 Na 0.79191230072007 0.83387817432519 0.34526894796583 22.990 > 4 23 Na 0.29191230072007 0.83387817432519 0.67860228129916 22.990 > 4 24 Na 0.79191230072007 0.83387817432519 0.67860228129916 22.990 > 4 *25 Na 0.39225293906471 0.02185249965916 0.22248893715505 22.990 > 5 26 Na 0.89225293906471 0.02185249965916 0.22248893715505 22.990 > 5 27 Na 0.39225293906471 0.02185249965916 0.55582227048838 22.990 > 5 28 Na 0.89225293906471 0.02185249965916 0.55582227048838 22.990 > 5 29 Na 0.39225293906471 0.02185249965916 0.88915560382172 22.990 > 5 30 Na 0.89225293906471 0.02185249965916 0.88915560382172 22.990 > 5 31 Na 0.39225293906471 0.47814750034084 0.05582227048838 22.990 > 6 32 Na 0.89225293906471 0.47814750034084 0.05582227048838 22.990 > 6 33 Na 0.39225293906471 0.47814750034084 0.38915560382172 22.990 > 6 34 Na 0.89225293906471 0.47814750034084 0.38915560382172 22.990 > 6 35 Na 0.39225293906471 0.47814750034084 0.72248893715505 22.990 > 6 36 Na 0.89225293906471 0.47814750034084 0.72248893715505 22.990 > 6 37 Na 0.10774706093528 0.52185249965916 0.27751106284495 22.990 > 7 38 Na 0.60774706093528 0.52185249965916 0.27751106284495 22.990 > 7 39 Na 0.10774706093528 0.52185249965916 0.61084439617828 22.990 > 7 40 Na 0.60774706093528 0.52185249965916 0.61084439617828 22.990 > 7 41 Na 0.10774706093528 0.52185249965916 0.94417772951162 22.990 > 7 42 Na 0.60774706093528 0.52185249965916 0.94417772951162 22.990 > 7 43 Na 0.10774706093528 0.97814750034084 0.11084439617828 22.990 > 8 44 Na 0.60774706093528 0.97814750034084 0.11084439617828 22.990 > 8 45 Na 0.10774706093528 0.97814750034084 0.44417772951162 22.990 > 8 46 Na 0.60774706093528 0.97814750034084 0.44417772951162 22.990 > 8 47 Na 0.10774706093528 0.97814750034084 0.77751106284495 22.990 > 8 48 Na 0.60774706093528 0.97814750034084 0.77751106284495 22.990 > 8 *49 Ge 0.00715800848236 0.33090394134317 0.27788105248311 72.640 > 9 50 Ge 0.50715800848237 0.33090394134317 0.27788105248311 72.640 > 9 51 Ge 0.00715800848236 0.33090394134317 0.61121438581644 72.640 > 9 52 Ge 0.50715800848237 0.33090394134317 0.61121438581644 72.640 > 9 53 Ge 0.00715800848236 0.33090394134317 0.94454771914977 72.640 > 9 54 Ge 0.50715800848237 0.33090394134317 0.94454771914977 72.640 > 9 55 Ge 0.49284199151764 0.83090394134317 0.22211894751689 72.640 > 10 56 Ge 0.99284199151763 0.83090394134317 0.22211894751689 72.640 > 10 57 Ge 0.49284199151764 0.83090394134317 0.55545228085023 72.640 > 10 58 Ge 0.99284199151763 0.83090394134317 0.55545228085023 72.640 > 10 59 Ge 0.49284199151764 0.83090394134317 0.88878561418356 72.640 > 10 60 Ge 0.99284199151763 0.83090394134317 0.88878561418356 72.640 > 10 61 Ge 0.49284199151764 0.66909605865683 0.05545228085023 72.640 > 11 62 Ge 0.99284199151763 0.66909605865683 0.05545228085023 72.640 > 11 63 Ge 0.49284199151764 0.66909605865683 0.38878561418356 72.640 > 11 64 Ge 0.99284199151763 0.66909605865683 0.38878561418356 72.640 > 11 65 Ge 0.49284199151764 0.66909605865683 0.72211894751689 72.640 > 11 66 Ge 0.99284199151763 0.66909605865683 0.72211894751689 72.640 > 11 67 Ge 0.00715800848236 0.16909605865683 0.11121438581644 72.640 > 12 68 Ge 0.50715800848237 0.16909605865683 0.11121438581644 72.640 > 12 69 Ge 0.00715800848236 0.16909605865683 0.44454771914977 72.640 > 12 70 Ge 0.50715800848237 0.16909605865683 0.44454771914977 72.640 > 12 71 Ge 0.00715800848236 0.16909605865683 0.77788105248311 72.640 > 12 72 Ge 0.50715800848237 0.16909605865683 0.77788105248311 72.640 > 12 *73 Se 0.31442205218187 0.85079318774632 0.18574516363039 78.960 > 13 74 Se 0.81442205218187 0.85079318774632 0.18574516363039 78.960 > 13 75 Se 0.31442205218187 0.85079318774632 0.51907849696372 78.960 > 13 76 Se 0.81442205218187 0.85079318774632 0.51907849696372 78.960 > 13 77 Se 0.31442205218187 0.85079318774632 0.85241183029705 78.960 > 13 78 Se 0.81442205218187 0.85079318774632 0.85241183029705 78.960 > 13 79 Se 0.18557794781813 0.35079318774632 0.31425483636961 78.960 > 14 80 Se 0.68557794781813 0.35079318774632 0.31425483636961 78.960 > 14 81 Se 0.18557794781813 0.35079318774632 0.64758816970294 78.960 > 14 82 Se 0.68557794781813 0.35079318774632 0.64758816970294 78.960 > 14 83 Se 0.18557794781813 0.35079318774632 0.98092150303628 78.960 > 14 84 Se 0.68557794781813 0.35079318774632 0.98092150303628 78.960 > 14 85 Se 0.18557794781813 0.14920681225368 0.14758816970294 78.960 > 15 86 Se 0.68557794781813 0.14920681225368 0.14758816970294 78.960 > 15 87 Se 0.18557794781813 0.14920681225368 0.48092150303628 78.960 > 15 88 Se 0.68557794781813 0.14920681225368 0.48092150303628 78.960 > 15 89 Se 0.18557794781813 0.14920681225368 0.81425483636961 78.960 > 15 90 Se 0.68557794781813 0.14920681225368 0.81425483636961 78.960 > 15 91 Se 0.31442205218187 0.64920681225368 0.01907849696372 78.960 > 16 92 Se 0.81442205218187 0.64920681225368 0.01907849696372 78.960 > 16 93 Se 0.31442205218187 0.64920681225368 0.35241183029705 78.960 > 16 94 Se 0.81442205218187 0.64920681225368 0.35241183029705 78.960 > 16 95 Se 0.31442205218187 0.64920681225368 0.68574516363039 78.960 > 16 96 Se 0.81442205218187 0.64920681225368 0.68574516363039 78.960 > 16 *97 Se 0.45876119819405 0.19426512684807 0.22297911082382 78.960 > 17 98 Se 0.95876119819405 0.19426512684807 0.22297911082382 78.960 > 17 99 Se 0.45876119819405 0.19426512684807 0.55631244415715 78.960 > 17 100 Se 0.95876119819405 0.19426512684807 0.55631244415715 78.960 > 17 101 Se 0.45876119819405 0.19426512684807 0.88964577749048 78.960 > 17 102 Se 0.95876119819405 0.19426512684807 0.88964577749048 78.960 > 17 103 Se 0.04123880180595 0.69426512684807 0.27702088917618 78.960 > 18 104 Se 0.54123880180595 0.69426512684807 0.27702088917618 78.960 > 18 105 Se 0.04123880180595 0.69426512684807 0.61035422250951 78.960 > 18 106 Se 0.54123880180595 0.69426512684807 0.61035422250951 78.960 > 18 107 Se 0.04123880180595 0.69426512684807 0.94368755584285 78.960 > 18 108 Se 0.54123880180595 0.69426512684807 0.94368755584285 78.960 > 18 109 Se 0.04123880180595 0.80573487315193 0.11035422250952 78.960 > 19 110 Se 0.54123880180595 0.80573487315193 0.11035422250952 78.960 > 19 111 Se 0.04123880180595 0.80573487315193 0.44368755584285 78.960 > 19 112 Se 0.54123880180595 0.80573487315193 0.44368755584285 78.960 > 19 113 Se 0.04123880180595 0.80573487315193 0.77702088917618 78.960 > 19 114 Se 0.54123880180595 0.80573487315193 0.77702088917618 78.960 > 19 115 Se 0.45876119819405 0.30573487315193 0.05631244415715 78.960 > 20 116 Se 0.95876119819405 0.30573487315193 0.05631244415715 78.960 > 20 117 Se 0.45876119819405 0.30573487315193 0.38964577749048 78.960 > 20 118 Se 0.95876119819405 0.30573487315193 0.38964577749048 78.960 > 20 119 Se 0.45876119819405 0.30573487315193 0.72297911082382 78.960 > 20 120 Se 0.95876119819405 0.30573487315193 0.72297911082382 78.960 > 20 *121 Se 0.10517864210551 0.94173790991003 0.28066269374480 78.960 > 21 122 Se 0.60517864210551 0.94173790991003 0.28066269374480 78.960 > 21 123 Se 0.10517864210551 0.94173790991003 0.61399602707813 78.960 > 21 124 Se 0.60517864210551 0.94173790991003 0.61399602707813 78.960 > 21 125 Se 0.10517864210551 0.94173790991003 0.94732936041146 78.960 > 21 126 Se 0.60517864210551 0.94173790991003 0.94732936041146 78.960 > 21 127 Se 0.39482135789449 0.44173790991003 0.21933730625520 78.960 > 22 128 Se 0.89482135789449 0.44173790991003 0.21933730625520 78.960 > 22 129 Se 0.39482135789449 0.44173790991003 0.55267063958854 78.960 > 22 130 Se 0.89482135789449 0.44173790991003 0.55267063958854 78.960 > 22 131 Se 0.39482135789449 0.44173790991003 0.88600397292187 78.960 > 22 132 Se 0.89482135789449 0.44173790991003 0.88600397292187 78.960 > 22 133 Se 0.39482135789449 0.05826209008997 0.05267063958854 78.960 > 23 134 Se 0.89482135789449 0.05826209008997 0.05267063958854 78.960 > 23 135 Se 0.39482135789449 0.05826209008997 0.38600397292187 78.960 > 23 136 Se 0.89482135789449 0.05826209008997 0.38600397292187 78.960 > 23 137 Se 0.39482135789449 0.05826209008997 0.71933730625520 78.960 > 23 138 Se 0.89482135789449 0.05826209008997 0.71933730625520 78.960 > 23 139 Se 0.10517864210551 0.55826209008997 0.11399602707813 78.960 > 24 140 Se 0.60517864210551 0.55826209008997 0.11399602707813 78.960 > 24 141 Se 0.10517864210551 0.55826209008997 0.44732936041146 78.960 > 24 142 Se 0.60517864210551 0.55826209008997 0.44732936041146 78.960 > 24 143 Se 0.10517864210551 0.55826209008997 0.78066269374480 78.960 > 24 144 Se 0.60517864210551 0.55826209008997 0.78066269374480 78.960 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0912522 0.0000000 -0.1273993 0.0000000 5.6165080 0.0000000 -0.1274032 0.0000000 5.8471614 -------------------------- Born effective charges -------------------------- 1 Na 1.2436943 0.1934469 0.0535428 0.0086052 1.0516595 -0.0013084 0.1226135 0.1343481 1.2654462 2 Na 1.2436943 -0.1934469 0.0535428 -0.0086052 1.0516595 0.0013084 0.1226135 -0.1343481 1.2654462 3 Na 1.2436943 0.1934469 0.0535428 0.0086052 1.0516595 -0.0013084 0.1226135 0.1343481 1.2654462 4 Na 1.2436943 -0.1934469 0.0535428 -0.0086052 1.0516595 0.0013084 0.1226135 -0.1343481 1.2654462 5 Na 1.0877412 -0.1949377 -0.0412395 -0.1585085 1.5760497 -0.0609373 -0.0771883 -0.1857492 1.0952255 6 Na 1.0877412 0.1949377 -0.0412395 0.1585085 1.5760497 0.0609373 -0.0771883 0.1857492 1.0952255 7 Na 1.0877412 0.1949377 -0.0412395 0.1585085 1.5760497 0.0609373 -0.0771883 0.1857492 1.0952255 8 Na 1.0877412 -0.1949377 -0.0412395 -0.1585085 1.5760497 -0.0609373 -0.0771883 -0.1857492 1.0952255 9 Ge 2.3655047 -0.3635644 -0.3897443 0.3142340 2.6975144 -0.4685861 -0.2775197 0.6412113 2.3577559 10 Ge 2.3655047 0.3635644 -0.3897443 -0.3142340 2.6975144 0.4685861 -0.2775197 -0.6412113 2.3577559 11 Ge 2.3655047 -0.3635644 -0.3897443 0.3142340 2.6975144 -0.4685861 -0.2775197 0.6412113 2.3577559 12 Ge 2.3655047 0.3635644 -0.3897443 -0.3142340 2.6975144 0.4685861 -0.2775197 -0.6412113 2.3577559 13 Se -1.6625653 0.3597707 -0.0307100 0.3232368 -1.4224554 0.0558654 -0.1092432 0.2933367 -1.3839604 14 Se -1.6625653 -0.3597707 -0.0307100 -0.3232368 -1.4224554 -0.0558654 -0.1092432 -0.2933367 -1.3839604 15 Se -1.6625653 0.3597707 -0.0307100 0.3232368 -1.4224554 0.0558654 -0.1092432 0.2933367 -1.3839604 16 Se -1.6625653 -0.3597707 -0.0307100 -0.3232368 -1.4224554 -0.0558654 -0.1092432 -0.2933367 -1.3839604 17 Se -1.4472627 -0.1651449 0.4731133 -0.0600779 -1.7852616 -0.1852925 0.3593721 -0.5631858 -1.5374409 18 Se -1.4472627 0.1651449 0.4731133 0.0600779 -1.7852616 0.1852925 0.3593721 0.5631858 -1.5374409 19 Se -1.4472627 -0.1651449 0.4731133 -0.0600779 -1.7852616 -0.1852925 0.3593721 -0.5631858 -1.5374409 20 Se -1.4472627 0.1651449 0.4731133 0.0600779 -1.7852616 0.1852925 0.3593721 0.5631858 -1.5374409 21 Se -1.5871122 -0.3265285 -0.0649624 -0.2215840 -2.1175067 -0.4597842 -0.0180343 -0.2807731 -1.7970262 22 Se -1.5871122 0.3265285 -0.0649624 0.2215840 -2.1175067 0.4597842 -0.0180343 0.2807731 -1.7970262 23 Se -1.5871122 -0.3265285 -0.0649624 -0.2215840 -2.1175067 -0.4597842 -0.0180343 -0.2807731 -1.7970262 24 Se -1.5871122 0.3265285 -0.0649624 0.2215840 -2.1175067 0.4597842 -0.0180343 0.2807731 -1.7970262 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4032 Number of blocks in projector: 4032 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 480 Use standard eigh solver. Tree of FC basis block matrices: - (4032, 3979), data: False |-- (480, 474), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 720 - Time: 1.495 Solver_block: 200 / 720 - Time: 1.414 Solver_block: 300 / 720 - Time: 1.413 Solver_block: 400 / 720 - Time: 1.413 Solver_block: 500 / 720 - Time: 1.415 Solver_block: 600 / 720 - Time: 1.413 Solver_block: 700 / 720 - Time: 1.413 Solver_block: 720 / 720 - Time: 0.397 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.621 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4032 Number of blocks in projector: 4032 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 480 Use standard eigh solver. Tree of FC basis block matrices: - (4032, 3979), data: False |-- (480, 474), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:01:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:01:29]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.984802487138242 0.000000000000000 0.000000000000000 b 0.000000000000000 16.164067989999999 0.000000000000000 c -2.438573112730900 0.000000000000000 5.500289246356957 Atomic positions (fractional): 1 Na 0.58382460144014 0.66612182567481 0.53580684389749 22.990 2 Na 0.41617539855986 0.16612182567481 0.96419315610251 22.990 3 Na 0.41617539855986 0.33387817432519 0.46419315610251 22.990 4 Na 0.58382460144014 0.83387817432519 0.03580684389749 22.990 5 Na 0.78450587812943 0.02185249965916 0.66746681146515 22.990 6 Na 0.78450587812943 0.47814750034084 0.16746681146515 22.990 7 Na 0.21549412187057 0.52185249965916 0.83253318853485 22.990 8 Na 0.21549412187057 0.97814750034084 0.33253318853485 22.990 9 Ge 0.01431601696473 0.33090394134317 0.83364315744932 72.640 10 Ge 0.98568398303527 0.83090394134317 0.66635684255068 72.640 11 Ge 0.98568398303527 0.66909605865683 0.16635684255068 72.640 12 Ge 0.01431601696473 0.16909605865683 0.33364315744932 72.640 13 Se 0.62884410436373 0.85079318774632 0.55723549089116 78.960 14 Se 0.37115589563627 0.35079318774632 0.94276450910884 78.960 15 Se 0.37115589563627 0.14920681225368 0.44276450910884 78.960 16 Se 0.62884410436373 0.64920681225368 0.05723549089116 78.960 17 Se 0.91752239638811 0.19426512684807 0.66893733247145 78.960 18 Se 0.08247760361189 0.69426512684807 0.83106266752854 78.960 19 Se 0.08247760361189 0.80573487315193 0.33106266752855 78.960 20 Se 0.91752239638811 0.30573487315193 0.16893733247146 78.960 21 Se 0.21035728421103 0.94173790991003 0.84198808123439 78.960 22 Se 0.78964271578897 0.44173790991003 0.65801191876561 78.960 23 Se 0.78964271578897 0.05826209008997 0.15801191876561 78.960 24 Se 0.21035728421103 0.55826209008997 0.34198808123439 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.969604974276484 0.000000000000000 0.000000000000000 b 0.000000000000000 16.164067989999999 0.000000000000000 c -7.315719338192700 0.000000000000000 16.500867739070870 Atomic positions (fractional): 1 Na 0.29191230072007 0.66612182567481 0.17860228129916 22.990 > 1 2 Na 0.79191230072007 0.66612182567481 0.17860228129916 22.990 > 1 3 Na 0.29191230072007 0.66612182567481 0.51193561463250 22.990 > 1 4 Na 0.79191230072007 0.66612182567481 0.51193561463250 22.990 > 1 5 Na 0.29191230072007 0.66612182567481 0.84526894796583 22.990 > 1 6 Na 0.79191230072007 0.66612182567481 0.84526894796583 22.990 > 1 7 Na 0.20808769927993 0.16612182567481 0.32139771870084 22.990 > 7 8 Na 0.70808769927993 0.16612182567481 0.32139771870084 22.990 > 7 9 Na 0.20808769927993 0.16612182567481 0.65473105203417 22.990 > 7 10 Na 0.70808769927993 0.16612182567481 0.65473105203417 22.990 > 7 11 Na 0.20808769927993 0.16612182567481 0.98806438536750 22.990 > 7 12 Na 0.70808769927993 0.16612182567481 0.98806438536750 22.990 > 7 13 Na 0.20808769927993 0.33387817432519 0.15473105203417 22.990 > 13 14 Na 0.70808769927993 0.33387817432519 0.15473105203417 22.990 > 13 15 Na 0.20808769927993 0.33387817432519 0.48806438536750 22.990 > 13 16 Na 0.70808769927993 0.33387817432519 0.48806438536750 22.990 > 13 17 Na 0.20808769927993 0.33387817432519 0.82139771870084 22.990 > 13 18 Na 0.70808769927993 0.33387817432519 0.82139771870084 22.990 > 13 19 Na 0.29191230072007 0.83387817432519 0.01193561463250 22.990 > 19 20 Na 0.79191230072007 0.83387817432519 0.01193561463250 22.990 > 19 21 Na 0.29191230072007 0.83387817432519 0.34526894796583 22.990 > 19 22 Na 0.79191230072007 0.83387817432519 0.34526894796583 22.990 > 19 23 Na 0.29191230072007 0.83387817432519 0.67860228129916 22.990 > 19 24 Na 0.79191230072007 0.83387817432519 0.67860228129916 22.990 > 19 25 Na 0.39225293906471 0.02185249965916 0.22248893715505 22.990 > 25 26 Na 0.89225293906471 0.02185249965916 0.22248893715505 22.990 > 25 27 Na 0.39225293906471 0.02185249965916 0.55582227048838 22.990 > 25 28 Na 0.89225293906471 0.02185249965916 0.55582227048838 22.990 > 25 29 Na 0.39225293906471 0.02185249965916 0.88915560382172 22.990 > 25 30 Na 0.89225293906471 0.02185249965916 0.88915560382172 22.990 > 25 31 Na 0.39225293906471 0.47814750034084 0.05582227048838 22.990 > 31 32 Na 0.89225293906471 0.47814750034084 0.05582227048838 22.990 > 31 33 Na 0.39225293906471 0.47814750034084 0.38915560382172 22.990 > 31 34 Na 0.89225293906471 0.47814750034084 0.38915560382172 22.990 > 31 35 Na 0.39225293906471 0.47814750034084 0.72248893715505 22.990 > 31 36 Na 0.89225293906471 0.47814750034084 0.72248893715505 22.990 > 31 37 Na 0.10774706093528 0.52185249965916 0.27751106284495 22.990 > 37 38 Na 0.60774706093528 0.52185249965916 0.27751106284495 22.990 > 37 39 Na 0.10774706093528 0.52185249965916 0.61084439617828 22.990 > 37 40 Na 0.60774706093528 0.52185249965916 0.61084439617828 22.990 > 37 41 Na 0.10774706093528 0.52185249965916 0.94417772951162 22.990 > 37 42 Na 0.60774706093528 0.52185249965916 0.94417772951162 22.990 > 37 43 Na 0.10774706093528 0.97814750034084 0.11084439617828 22.990 > 43 44 Na 0.60774706093528 0.97814750034084 0.11084439617828 22.990 > 43 45 Na 0.10774706093528 0.97814750034084 0.44417772951162 22.990 > 43 46 Na 0.60774706093528 0.97814750034084 0.44417772951162 22.990 > 43 47 Na 0.10774706093528 0.97814750034084 0.77751106284495 22.990 > 43 48 Na 0.60774706093528 0.97814750034084 0.77751106284495 22.990 > 43 49 Ge 0.00715800848236 0.33090394134317 0.27788105248311 72.640 > 49 50 Ge 0.50715800848237 0.33090394134317 0.27788105248311 72.640 > 49 51 Ge 0.00715800848236 0.33090394134317 0.61121438581644 72.640 > 49 52 Ge 0.50715800848237 0.33090394134317 0.61121438581644 72.640 > 49 53 Ge 0.00715800848236 0.33090394134317 0.94454771914977 72.640 > 49 54 Ge 0.50715800848237 0.33090394134317 0.94454771914977 72.640 > 49 55 Ge 0.49284199151764 0.83090394134317 0.22211894751689 72.640 > 55 56 Ge 0.99284199151763 0.83090394134317 0.22211894751689 72.640 > 55 57 Ge 0.49284199151764 0.83090394134317 0.55545228085023 72.640 > 55 58 Ge 0.99284199151763 0.83090394134317 0.55545228085023 72.640 > 55 59 Ge 0.49284199151764 0.83090394134317 0.88878561418356 72.640 > 55 60 Ge 0.99284199151763 0.83090394134317 0.88878561418356 72.640 > 55 61 Ge 0.49284199151764 0.66909605865683 0.05545228085023 72.640 > 61 62 Ge 0.99284199151763 0.66909605865683 0.05545228085023 72.640 > 61 63 Ge 0.49284199151764 0.66909605865683 0.38878561418356 72.640 > 61 64 Ge 0.99284199151763 0.66909605865683 0.38878561418356 72.640 > 61 65 Ge 0.49284199151764 0.66909605865683 0.72211894751689 72.640 > 61 66 Ge 0.99284199151763 0.66909605865683 0.72211894751689 72.640 > 61 67 Ge 0.00715800848236 0.16909605865683 0.11121438581644 72.640 > 67 68 Ge 0.50715800848237 0.16909605865683 0.11121438581644 72.640 > 67 69 Ge 0.00715800848236 0.16909605865683 0.44454771914977 72.640 > 67 70 Ge 0.50715800848237 0.16909605865683 0.44454771914977 72.640 > 67 71 Ge 0.00715800848236 0.16909605865683 0.77788105248311 72.640 > 67 72 Ge 0.50715800848237 0.16909605865683 0.77788105248311 72.640 > 67 73 Se 0.31442205218187 0.85079318774632 0.18574516363039 78.960 > 73 74 Se 0.81442205218187 0.85079318774632 0.18574516363039 78.960 > 73 75 Se 0.31442205218187 0.85079318774632 0.51907849696372 78.960 > 73 76 Se 0.81442205218187 0.85079318774632 0.51907849696372 78.960 > 73 77 Se 0.31442205218187 0.85079318774632 0.85241183029705 78.960 > 73 78 Se 0.81442205218187 0.85079318774632 0.85241183029705 78.960 > 73 79 Se 0.18557794781813 0.35079318774632 0.31425483636961 78.960 > 79 80 Se 0.68557794781813 0.35079318774632 0.31425483636961 78.960 > 79 81 Se 0.18557794781813 0.35079318774632 0.64758816970294 78.960 > 79 82 Se 0.68557794781813 0.35079318774632 0.64758816970294 78.960 > 79 83 Se 0.18557794781813 0.35079318774632 0.98092150303628 78.960 > 79 84 Se 0.68557794781813 0.35079318774632 0.98092150303628 78.960 > 79 85 Se 0.18557794781813 0.14920681225368 0.14758816970294 78.960 > 85 86 Se 0.68557794781813 0.14920681225368 0.14758816970294 78.960 > 85 87 Se 0.18557794781813 0.14920681225368 0.48092150303628 78.960 > 85 88 Se 0.68557794781813 0.14920681225368 0.48092150303628 78.960 > 85 89 Se 0.18557794781813 0.14920681225368 0.81425483636961 78.960 > 85 90 Se 0.68557794781813 0.14920681225368 0.81425483636961 78.960 > 85 91 Se 0.31442205218187 0.64920681225368 0.01907849696372 78.960 > 91 92 Se 0.81442205218187 0.64920681225368 0.01907849696372 78.960 > 91 93 Se 0.31442205218187 0.64920681225368 0.35241183029705 78.960 > 91 94 Se 0.81442205218187 0.64920681225368 0.35241183029705 78.960 > 91 95 Se 0.31442205218187 0.64920681225368 0.68574516363039 78.960 > 91 96 Se 0.81442205218187 0.64920681225368 0.68574516363039 78.960 > 91 97 Se 0.45876119819405 0.19426512684807 0.22297911082382 78.960 > 97 98 Se 0.95876119819405 0.19426512684807 0.22297911082382 78.960 > 97 99 Se 0.45876119819405 0.19426512684807 0.55631244415715 78.960 > 97 100 Se 0.95876119819405 0.19426512684807 0.55631244415715 78.960 > 97 101 Se 0.45876119819405 0.19426512684807 0.88964577749048 78.960 > 97 102 Se 0.95876119819405 0.19426512684807 0.88964577749048 78.960 > 97 103 Se 0.04123880180595 0.69426512684807 0.27702088917618 78.960 > 103 104 Se 0.54123880180595 0.69426512684807 0.27702088917618 78.960 > 103 105 Se 0.04123880180595 0.69426512684807 0.61035422250951 78.960 > 103 106 Se 0.54123880180595 0.69426512684807 0.61035422250951 78.960 > 103 107 Se 0.04123880180595 0.69426512684807 0.94368755584285 78.960 > 103 108 Se 0.54123880180595 0.69426512684807 0.94368755584285 78.960 > 103 109 Se 0.04123880180595 0.80573487315193 0.11035422250952 78.960 > 109 110 Se 0.54123880180595 0.80573487315193 0.11035422250952 78.960 > 109 111 Se 0.04123880180595 0.80573487315193 0.44368755584285 78.960 > 109 112 Se 0.54123880180595 0.80573487315193 0.44368755584285 78.960 > 109 113 Se 0.04123880180595 0.80573487315193 0.77702088917618 78.960 > 109 114 Se 0.54123880180595 0.80573487315193 0.77702088917618 78.960 > 109 115 Se 0.45876119819405 0.30573487315193 0.05631244415715 78.960 > 115 116 Se 0.95876119819405 0.30573487315193 0.05631244415715 78.960 > 115 117 Se 0.45876119819405 0.30573487315193 0.38964577749048 78.960 > 115 118 Se 0.95876119819405 0.30573487315193 0.38964577749048 78.960 > 115 119 Se 0.45876119819405 0.30573487315193 0.72297911082382 78.960 > 115 120 Se 0.95876119819405 0.30573487315193 0.72297911082382 78.960 > 115 121 Se 0.10517864210551 0.94173790991003 0.28066269374480 78.960 > 121 122 Se 0.60517864210551 0.94173790991003 0.28066269374480 78.960 > 121 123 Se 0.10517864210551 0.94173790991003 0.61399602707813 78.960 > 121 124 Se 0.60517864210551 0.94173790991003 0.61399602707813 78.960 > 121 125 Se 0.10517864210551 0.94173790991003 0.94732936041146 78.960 > 121 126 Se 0.60517864210551 0.94173790991003 0.94732936041146 78.960 > 121 127 Se 0.39482135789449 0.44173790991003 0.21933730625520 78.960 > 127 128 Se 0.89482135789449 0.44173790991003 0.21933730625520 78.960 > 127 129 Se 0.39482135789449 0.44173790991003 0.55267063958854 78.960 > 127 130 Se 0.89482135789449 0.44173790991003 0.55267063958854 78.960 > 127 131 Se 0.39482135789449 0.44173790991003 0.88600397292187 78.960 > 127 132 Se 0.89482135789449 0.44173790991003 0.88600397292187 78.960 > 127 133 Se 0.39482135789449 0.05826209008997 0.05267063958854 78.960 > 133 134 Se 0.89482135789449 0.05826209008997 0.05267063958854 78.960 > 133 135 Se 0.39482135789449 0.05826209008997 0.38600397292187 78.960 > 133 136 Se 0.89482135789449 0.05826209008997 0.38600397292187 78.960 > 133 137 Se 0.39482135789449 0.05826209008997 0.71933730625520 78.960 > 133 138 Se 0.89482135789449 0.05826209008997 0.71933730625520 78.960 > 133 139 Se 0.10517864210551 0.55826209008997 0.11399602707813 78.960 > 139 140 Se 0.60517864210551 0.55826209008997 0.11399602707813 78.960 > 139 141 Se 0.10517864210551 0.55826209008997 0.44732936041146 78.960 > 139 142 Se 0.60517864210551 0.55826209008997 0.44732936041146 78.960 > 139 143 Se 0.10517864210551 0.55826209008997 0.78066269374480 78.960 > 139 144 Se 0.60517864210551 0.55826209008997 0.78066269374480 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0912522 0.0000000 -0.1273993 0.0000000 5.6165080 0.0000000 -0.1274032 0.0000000 5.8471614 -------------------------- Born effective charges -------------------------- 1 Na 1.2436943 0.1934469 0.0535428 0.0086052 1.0516595 -0.0013084 0.1226135 0.1343481 1.2654462 2 Na 1.2436943 -0.1934469 0.0535428 -0.0086052 1.0516595 0.0013084 0.1226135 -0.1343481 1.2654462 3 Na 1.2436943 0.1934469 0.0535428 0.0086052 1.0516595 -0.0013084 0.1226135 0.1343481 1.2654462 4 Na 1.2436943 -0.1934469 0.0535428 -0.0086052 1.0516595 0.0013084 0.1226135 -0.1343481 1.2654462 5 Na 1.0877412 -0.1949377 -0.0412395 -0.1585085 1.5760497 -0.0609373 -0.0771883 -0.1857492 1.0952255 6 Na 1.0877412 0.1949377 -0.0412395 0.1585085 1.5760497 0.0609373 -0.0771883 0.1857492 1.0952255 7 Na 1.0877412 0.1949377 -0.0412395 0.1585085 1.5760497 0.0609373 -0.0771883 0.1857492 1.0952255 8 Na 1.0877412 -0.1949377 -0.0412395 -0.1585085 1.5760497 -0.0609373 -0.0771883 -0.1857492 1.0952255 9 Ge 2.3655047 -0.3635644 -0.3897443 0.3142340 2.6975144 -0.4685861 -0.2775197 0.6412113 2.3577559 10 Ge 2.3655047 0.3635644 -0.3897443 -0.3142340 2.6975144 0.4685861 -0.2775197 -0.6412113 2.3577559 11 Ge 2.3655047 -0.3635644 -0.3897443 0.3142340 2.6975144 -0.4685861 -0.2775197 0.6412113 2.3577559 12 Ge 2.3655047 0.3635644 -0.3897443 -0.3142340 2.6975144 0.4685861 -0.2775197 -0.6412113 2.3577559 13 Se -1.6625653 0.3597707 -0.0307100 0.3232368 -1.4224554 0.0558654 -0.1092432 0.2933367 -1.3839604 14 Se -1.6625653 -0.3597707 -0.0307100 -0.3232368 -1.4224554 -0.0558654 -0.1092432 -0.2933367 -1.3839604 15 Se -1.6625653 0.3597707 -0.0307100 0.3232368 -1.4224554 0.0558654 -0.1092432 0.2933367 -1.3839604 16 Se -1.6625653 -0.3597707 -0.0307100 -0.3232368 -1.4224554 -0.0558654 -0.1092432 -0.2933367 -1.3839604 17 Se -1.4472627 -0.1651449 0.4731133 -0.0600779 -1.7852616 -0.1852925 0.3593721 -0.5631858 -1.5374409 18 Se -1.4472627 0.1651449 0.4731133 0.0600779 -1.7852616 0.1852925 0.3593721 0.5631858 -1.5374409 19 Se -1.4472627 -0.1651449 0.4731133 -0.0600779 -1.7852616 -0.1852925 0.3593721 -0.5631858 -1.5374409 20 Se -1.4472627 0.1651449 0.4731133 0.0600779 -1.7852616 0.1852925 0.3593721 0.5631858 -1.5374409 21 Se -1.5871122 -0.3265285 -0.0649624 -0.2215840 -2.1175067 -0.4597842 -0.0180343 -0.2807731 -1.7970262 22 Se -1.5871122 0.3265285 -0.0649624 0.2215840 -2.1175067 0.4597842 -0.0180343 0.2807731 -1.7970262 23 Se -1.5871122 -0.3265285 -0.0649624 -0.2215840 -2.1175067 -0.4597842 -0.0180343 -0.2807731 -1.7970262 24 Se -1.5871122 0.3265285 -0.0649624 0.2215840 -2.1175067 0.4597842 -0.0180343 0.2807731 -1.7970262 ---------------------------------------------------------------------------- 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 73, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Computing fc3[ 121, 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] [-0.0041 0.0000 0.0091] [ 0.0041 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 07:02:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:02:15]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.984802487138242 0.000000000000000 0.000000000000000 b 0.000000000000000 16.164067989999999 0.000000000000000 c -2.438573112730900 0.000000000000000 5.500289246356957 Atomic positions (fractional): 1 Na 0.58382460144014 0.66612182567481 0.53580684389749 22.990 2 Na 0.41617539855986 0.16612182567481 0.96419315610251 22.990 3 Na 0.41617539855986 0.33387817432519 0.46419315610251 22.990 4 Na 0.58382460144014 0.83387817432519 0.03580684389749 22.990 5 Na 0.78450587812943 0.02185249965916 0.66746681146515 22.990 6 Na 0.78450587812943 0.47814750034084 0.16746681146515 22.990 7 Na 0.21549412187057 0.52185249965916 0.83253318853485 22.990 8 Na 0.21549412187057 0.97814750034084 0.33253318853485 22.990 9 Ge 0.01431601696473 0.33090394134317 0.83364315744932 72.640 10 Ge 0.98568398303527 0.83090394134317 0.66635684255068 72.640 11 Ge 0.98568398303527 0.66909605865683 0.16635684255068 72.640 12 Ge 0.01431601696473 0.16909605865683 0.33364315744932 72.640 13 Se 0.62884410436373 0.85079318774632 0.55723549089116 78.960 14 Se 0.37115589563627 0.35079318774632 0.94276450910884 78.960 15 Se 0.37115589563627 0.14920681225368 0.44276450910884 78.960 16 Se 0.62884410436373 0.64920681225368 0.05723549089116 78.960 17 Se 0.91752239638811 0.19426512684807 0.66893733247145 78.960 18 Se 0.08247760361189 0.69426512684807 0.83106266752854 78.960 19 Se 0.08247760361189 0.80573487315193 0.33106266752855 78.960 20 Se 0.91752239638811 0.30573487315193 0.16893733247146 78.960 21 Se 0.21035728421103 0.94173790991003 0.84198808123439 78.960 22 Se 0.78964271578897 0.44173790991003 0.65801191876561 78.960 23 Se 0.78964271578897 0.05826209008997 0.15801191876561 78.960 24 Se 0.21035728421103 0.55826209008997 0.34198808123439 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.969604974276484 0.000000000000000 0.000000000000000 b 0.000000000000000 16.164067989999999 0.000000000000000 c -7.315719338192700 0.000000000000000 16.500867739070870 Atomic positions (fractional): 1 Na 0.29191230072007 0.66612182567481 0.17860228129916 22.990 > 1 2 Na 0.79191230072007 0.66612182567481 0.17860228129916 22.990 > 1 3 Na 0.29191230072007 0.66612182567481 0.51193561463250 22.990 > 1 4 Na 0.79191230072007 0.66612182567481 0.51193561463250 22.990 > 1 5 Na 0.29191230072007 0.66612182567481 0.84526894796583 22.990 > 1 6 Na 0.79191230072007 0.66612182567481 0.84526894796583 22.990 > 1 7 Na 0.20808769927993 0.16612182567481 0.32139771870084 22.990 > 7 8 Na 0.70808769927993 0.16612182567481 0.32139771870084 22.990 > 7 9 Na 0.20808769927993 0.16612182567481 0.65473105203417 22.990 > 7 10 Na 0.70808769927993 0.16612182567481 0.65473105203417 22.990 > 7 11 Na 0.20808769927993 0.16612182567481 0.98806438536750 22.990 > 7 12 Na 0.70808769927993 0.16612182567481 0.98806438536750 22.990 > 7 13 Na 0.20808769927993 0.33387817432519 0.15473105203417 22.990 > 13 14 Na 0.70808769927993 0.33387817432519 0.15473105203417 22.990 > 13 15 Na 0.20808769927993 0.33387817432519 0.48806438536750 22.990 > 13 16 Na 0.70808769927993 0.33387817432519 0.48806438536750 22.990 > 13 17 Na 0.20808769927993 0.33387817432519 0.82139771870084 22.990 > 13 18 Na 0.70808769927993 0.33387817432519 0.82139771870084 22.990 > 13 19 Na 0.29191230072007 0.83387817432519 0.01193561463250 22.990 > 19 20 Na 0.79191230072007 0.83387817432519 0.01193561463250 22.990 > 19 21 Na 0.29191230072007 0.83387817432519 0.34526894796583 22.990 > 19 22 Na 0.79191230072007 0.83387817432519 0.34526894796583 22.990 > 19 23 Na 0.29191230072007 0.83387817432519 0.67860228129916 22.990 > 19 24 Na 0.79191230072007 0.83387817432519 0.67860228129916 22.990 > 19 25 Na 0.39225293906471 0.02185249965916 0.22248893715505 22.990 > 25 26 Na 0.89225293906471 0.02185249965916 0.22248893715505 22.990 > 25 27 Na 0.39225293906471 0.02185249965916 0.55582227048838 22.990 > 25 28 Na 0.89225293906471 0.02185249965916 0.55582227048838 22.990 > 25 29 Na 0.39225293906471 0.02185249965916 0.88915560382172 22.990 > 25 30 Na 0.89225293906471 0.02185249965916 0.88915560382172 22.990 > 25 31 Na 0.39225293906471 0.47814750034084 0.05582227048838 22.990 > 31 32 Na 0.89225293906471 0.47814750034084 0.05582227048838 22.990 > 31 33 Na 0.39225293906471 0.47814750034084 0.38915560382172 22.990 > 31 34 Na 0.89225293906471 0.47814750034084 0.38915560382172 22.990 > 31 35 Na 0.39225293906471 0.47814750034084 0.72248893715505 22.990 > 31 36 Na 0.89225293906471 0.47814750034084 0.72248893715505 22.990 > 31 37 Na 0.10774706093528 0.52185249965916 0.27751106284495 22.990 > 37 38 Na 0.60774706093528 0.52185249965916 0.27751106284495 22.990 > 37 39 Na 0.10774706093528 0.52185249965916 0.61084439617828 22.990 > 37 40 Na 0.60774706093528 0.52185249965916 0.61084439617828 22.990 > 37 41 Na 0.10774706093528 0.52185249965916 0.94417772951162 22.990 > 37 42 Na 0.60774706093528 0.52185249965916 0.94417772951162 22.990 > 37 43 Na 0.10774706093528 0.97814750034084 0.11084439617828 22.990 > 43 44 Na 0.60774706093528 0.97814750034084 0.11084439617828 22.990 > 43 45 Na 0.10774706093528 0.97814750034084 0.44417772951162 22.990 > 43 46 Na 0.60774706093528 0.97814750034084 0.44417772951162 22.990 > 43 47 Na 0.10774706093528 0.97814750034084 0.77751106284495 22.990 > 43 48 Na 0.60774706093528 0.97814750034084 0.77751106284495 22.990 > 43 49 Ge 0.00715800848236 0.33090394134317 0.27788105248311 72.640 > 49 50 Ge 0.50715800848237 0.33090394134317 0.27788105248311 72.640 > 49 51 Ge 0.00715800848236 0.33090394134317 0.61121438581644 72.640 > 49 52 Ge 0.50715800848237 0.33090394134317 0.61121438581644 72.640 > 49 53 Ge 0.00715800848236 0.33090394134317 0.94454771914977 72.640 > 49 54 Ge 0.50715800848237 0.33090394134317 0.94454771914977 72.640 > 49 55 Ge 0.49284199151764 0.83090394134317 0.22211894751689 72.640 > 55 56 Ge 0.99284199151763 0.83090394134317 0.22211894751689 72.640 > 55 57 Ge 0.49284199151764 0.83090394134317 0.55545228085023 72.640 > 55 58 Ge 0.99284199151763 0.83090394134317 0.55545228085023 72.640 > 55 59 Ge 0.49284199151764 0.83090394134317 0.88878561418356 72.640 > 55 60 Ge 0.99284199151763 0.83090394134317 0.88878561418356 72.640 > 55 61 Ge 0.49284199151764 0.66909605865683 0.05545228085023 72.640 > 61 62 Ge 0.99284199151763 0.66909605865683 0.05545228085023 72.640 > 61 63 Ge 0.49284199151764 0.66909605865683 0.38878561418356 72.640 > 61 64 Ge 0.99284199151763 0.66909605865683 0.38878561418356 72.640 > 61 65 Ge 0.49284199151764 0.66909605865683 0.72211894751689 72.640 > 61 66 Ge 0.99284199151763 0.66909605865683 0.72211894751689 72.640 > 61 67 Ge 0.00715800848236 0.16909605865683 0.11121438581644 72.640 > 67 68 Ge 0.50715800848237 0.16909605865683 0.11121438581644 72.640 > 67 69 Ge 0.00715800848236 0.16909605865683 0.44454771914977 72.640 > 67 70 Ge 0.50715800848237 0.16909605865683 0.44454771914977 72.640 > 67 71 Ge 0.00715800848236 0.16909605865683 0.77788105248311 72.640 > 67 72 Ge 0.50715800848237 0.16909605865683 0.77788105248311 72.640 > 67 73 Se 0.31442205218187 0.85079318774632 0.18574516363039 78.960 > 73 74 Se 0.81442205218187 0.85079318774632 0.18574516363039 78.960 > 73 75 Se 0.31442205218187 0.85079318774632 0.51907849696372 78.960 > 73 76 Se 0.81442205218187 0.85079318774632 0.51907849696372 78.960 > 73 77 Se 0.31442205218187 0.85079318774632 0.85241183029705 78.960 > 73 78 Se 0.81442205218187 0.85079318774632 0.85241183029705 78.960 > 73 79 Se 0.18557794781813 0.35079318774632 0.31425483636961 78.960 > 79 80 Se 0.68557794781813 0.35079318774632 0.31425483636961 78.960 > 79 81 Se 0.18557794781813 0.35079318774632 0.64758816970294 78.960 > 79 82 Se 0.68557794781813 0.35079318774632 0.64758816970294 78.960 > 79 83 Se 0.18557794781813 0.35079318774632 0.98092150303628 78.960 > 79 84 Se 0.68557794781813 0.35079318774632 0.98092150303628 78.960 > 79 85 Se 0.18557794781813 0.14920681225368 0.14758816970294 78.960 > 85 86 Se 0.68557794781813 0.14920681225368 0.14758816970294 78.960 > 85 87 Se 0.18557794781813 0.14920681225368 0.48092150303628 78.960 > 85 88 Se 0.68557794781813 0.14920681225368 0.48092150303628 78.960 > 85 89 Se 0.18557794781813 0.14920681225368 0.81425483636961 78.960 > 85 90 Se 0.68557794781813 0.14920681225368 0.81425483636961 78.960 > 85 91 Se 0.31442205218187 0.64920681225368 0.01907849696372 78.960 > 91 92 Se 0.81442205218187 0.64920681225368 0.01907849696372 78.960 > 91 93 Se 0.31442205218187 0.64920681225368 0.35241183029705 78.960 > 91 94 Se 0.81442205218187 0.64920681225368 0.35241183029705 78.960 > 91 95 Se 0.31442205218187 0.64920681225368 0.68574516363039 78.960 > 91 96 Se 0.81442205218187 0.64920681225368 0.68574516363039 78.960 > 91 97 Se 0.45876119819405 0.19426512684807 0.22297911082382 78.960 > 97 98 Se 0.95876119819405 0.19426512684807 0.22297911082382 78.960 > 97 99 Se 0.45876119819405 0.19426512684807 0.55631244415715 78.960 > 97 100 Se 0.95876119819405 0.19426512684807 0.55631244415715 78.960 > 97 101 Se 0.45876119819405 0.19426512684807 0.88964577749048 78.960 > 97 102 Se 0.95876119819405 0.19426512684807 0.88964577749048 78.960 > 97 103 Se 0.04123880180595 0.69426512684807 0.27702088917618 78.960 > 103 104 Se 0.54123880180595 0.69426512684807 0.27702088917618 78.960 > 103 105 Se 0.04123880180595 0.69426512684807 0.61035422250951 78.960 > 103 106 Se 0.54123880180595 0.69426512684807 0.61035422250951 78.960 > 103 107 Se 0.04123880180595 0.69426512684807 0.94368755584285 78.960 > 103 108 Se 0.54123880180595 0.69426512684807 0.94368755584285 78.960 > 103 109 Se 0.04123880180595 0.80573487315193 0.11035422250952 78.960 > 109 110 Se 0.54123880180595 0.80573487315193 0.11035422250952 78.960 > 109 111 Se 0.04123880180595 0.80573487315193 0.44368755584285 78.960 > 109 112 Se 0.54123880180595 0.80573487315193 0.44368755584285 78.960 > 109 113 Se 0.04123880180595 0.80573487315193 0.77702088917618 78.960 > 109 114 Se 0.54123880180595 0.80573487315193 0.77702088917618 78.960 > 109 115 Se 0.45876119819405 0.30573487315193 0.05631244415715 78.960 > 115 116 Se 0.95876119819405 0.30573487315193 0.05631244415715 78.960 > 115 117 Se 0.45876119819405 0.30573487315193 0.38964577749048 78.960 > 115 118 Se 0.95876119819405 0.30573487315193 0.38964577749048 78.960 > 115 119 Se 0.45876119819405 0.30573487315193 0.72297911082382 78.960 > 115 120 Se 0.95876119819405 0.30573487315193 0.72297911082382 78.960 > 115 121 Se 0.10517864210551 0.94173790991003 0.28066269374480 78.960 > 121 122 Se 0.60517864210551 0.94173790991003 0.28066269374480 78.960 > 121 123 Se 0.10517864210551 0.94173790991003 0.61399602707813 78.960 > 121 124 Se 0.60517864210551 0.94173790991003 0.61399602707813 78.960 > 121 125 Se 0.10517864210551 0.94173790991003 0.94732936041146 78.960 > 121 126 Se 0.60517864210551 0.94173790991003 0.94732936041146 78.960 > 121 127 Se 0.39482135789449 0.44173790991003 0.21933730625520 78.960 > 127 128 Se 0.89482135789449 0.44173790991003 0.21933730625520 78.960 > 127 129 Se 0.39482135789449 0.44173790991003 0.55267063958854 78.960 > 127 130 Se 0.89482135789449 0.44173790991003 0.55267063958854 78.960 > 127 131 Se 0.39482135789449 0.44173790991003 0.88600397292187 78.960 > 127 132 Se 0.89482135789449 0.44173790991003 0.88600397292187 78.960 > 127 133 Se 0.39482135789449 0.05826209008997 0.05267063958854 78.960 > 133 134 Se 0.89482135789449 0.05826209008997 0.05267063958854 78.960 > 133 135 Se 0.39482135789449 0.05826209008997 0.38600397292187 78.960 > 133 136 Se 0.89482135789449 0.05826209008997 0.38600397292187 78.960 > 133 137 Se 0.39482135789449 0.05826209008997 0.71933730625520 78.960 > 133 138 Se 0.89482135789449 0.05826209008997 0.71933730625520 78.960 > 133 139 Se 0.10517864210551 0.55826209008997 0.11399602707813 78.960 > 139 140 Se 0.60517864210551 0.55826209008997 0.11399602707813 78.960 > 139 141 Se 0.10517864210551 0.55826209008997 0.44732936041146 78.960 > 139 142 Se 0.60517864210551 0.55826209008997 0.44732936041146 78.960 > 139 143 Se 0.10517864210551 0.55826209008997 0.78066269374480 78.960 > 139 144 Se 0.60517864210551 0.55826209008997 0.78066269374480 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0912522 0.0000000 -0.1273993 0.0000000 5.6165080 0.0000000 -0.1274032 0.0000000 5.8471614 -------------------------- Born effective charges -------------------------- 1 Na 1.2436943 0.1934469 0.0535428 0.0086052 1.0516595 -0.0013084 0.1226135 0.1343481 1.2654462 2 Na 1.2436943 -0.1934469 0.0535428 -0.0086052 1.0516595 0.0013084 0.1226135 -0.1343481 1.2654462 3 Na 1.2436943 0.1934469 0.0535428 0.0086052 1.0516595 -0.0013084 0.1226135 0.1343481 1.2654462 4 Na 1.2436943 -0.1934469 0.0535428 -0.0086052 1.0516595 0.0013084 0.1226135 -0.1343481 1.2654462 5 Na 1.0877412 -0.1949377 -0.0412395 -0.1585085 1.5760497 -0.0609373 -0.0771883 -0.1857492 1.0952255 6 Na 1.0877412 0.1949377 -0.0412395 0.1585085 1.5760497 0.0609373 -0.0771883 0.1857492 1.0952255 7 Na 1.0877412 0.1949377 -0.0412395 0.1585085 1.5760497 0.0609373 -0.0771883 0.1857492 1.0952255 8 Na 1.0877412 -0.1949377 -0.0412395 -0.1585085 1.5760497 -0.0609373 -0.0771883 -0.1857492 1.0952255 9 Ge 2.3655047 -0.3635644 -0.3897443 0.3142340 2.6975144 -0.4685861 -0.2775197 0.6412113 2.3577559 10 Ge 2.3655047 0.3635644 -0.3897443 -0.3142340 2.6975144 0.4685861 -0.2775197 -0.6412113 2.3577559 11 Ge 2.3655047 -0.3635644 -0.3897443 0.3142340 2.6975144 -0.4685861 -0.2775197 0.6412113 2.3577559 12 Ge 2.3655047 0.3635644 -0.3897443 -0.3142340 2.6975144 0.4685861 -0.2775197 -0.6412113 2.3577559 13 Se -1.6625653 0.3597707 -0.0307100 0.3232368 -1.4224554 0.0558654 -0.1092432 0.2933367 -1.3839604 14 Se -1.6625653 -0.3597707 -0.0307100 -0.3232368 -1.4224554 -0.0558654 -0.1092432 -0.2933367 -1.3839604 15 Se -1.6625653 0.3597707 -0.0307100 0.3232368 -1.4224554 0.0558654 -0.1092432 0.2933367 -1.3839604 16 Se -1.6625653 -0.3597707 -0.0307100 -0.3232368 -1.4224554 -0.0558654 -0.1092432 -0.2933367 -1.3839604 17 Se -1.4472627 -0.1651449 0.4731133 -0.0600779 -1.7852616 -0.1852925 0.3593721 -0.5631858 -1.5374409 18 Se -1.4472627 0.1651449 0.4731133 0.0600779 -1.7852616 0.1852925 0.3593721 0.5631858 -1.5374409 19 Se -1.4472627 -0.1651449 0.4731133 -0.0600779 -1.7852616 -0.1852925 0.3593721 -0.5631858 -1.5374409 20 Se -1.4472627 0.1651449 0.4731133 0.0600779 -1.7852616 0.1852925 0.3593721 0.5631858 -1.5374409 21 Se -1.5871122 -0.3265285 -0.0649624 -0.2215840 -2.1175067 -0.4597842 -0.0180343 -0.2807731 -1.7970262 22 Se -1.5871122 0.3265285 -0.0649624 0.2215840 -2.1175067 0.4597842 -0.0180343 0.2807731 -1.7970262 23 Se -1.5871122 -0.3265285 -0.0649624 -0.2215840 -2.1175067 -0.4597842 -0.0180343 -0.2807731 -1.7970262 24 Se -1.5871122 0.3265285 -0.0649624 0.2215840 -2.1175067 0.4597842 -0.0180343 0.2807731 -1.7970262 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 3 9 ] 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: 0.49, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/74) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.422 ( 0.000 0.000 0.000) 0.000 0.713 ( 0.000 0.000 0.000) 0.000 0.786 ( 0.000 0.000 0.000) 0.000 0.898 ( 0.000 0.000 0.000) 0.000 1.148 ( 0.000 0.000 0.000) 0.000 1.313 ( 0.000 0.000 0.000) 0.000 1.475 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.428 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.748 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.293 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.769 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 0.000) 0.000 5.893 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.211 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.959 ( 0.000 0.000 0.000) 0.000 6.990 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.410 ( 0.000 0.000 0.000) 0.000 8.232 ( 0.000 0.000 0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.771 ( 0.000 0.000 0.000) 0.000 8.898 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 0.000) 0.000 9.004 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/74) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.150 ( 6.829 0.000 2.729) 7.354 0.239 ( 8.083 0.000 9.978) 12.841 0.568 ( 23.545 0.000 12.479) 26.648 0.643 ( 14.569 0.000 6.195) 15.831 0.826 ( 10.214 0.000 3.077) 10.668 0.852 ( 7.568 0.000 3.871) 8.501 0.967 ( 6.617 0.000 1.198) 6.725 1.287 ( 0.388 0.000 -5.413) 5.427 1.308 ( -1.740 0.000 0.298) 1.766 1.491 ( -0.931 0.000 4.136) 4.239 1.575 ( -1.285 0.000 -0.781) 1.504 1.600 ( -2.222 0.000 -0.220) 2.233 1.634 ( -0.598 0.000 -3.783) 3.830 1.695 ( -0.815 0.000 1.008) 1.296 1.749 ( -1.815 0.000 0.878) 2.016 1.919 ( -1.885 0.000 3.716) 4.166 2.100 ( -0.701 0.000 -1.372) 1.540 2.139 ( 2.550 0.000 -3.544) 4.366 2.155 ( 0.550 0.000 -0.026) 0.550 2.308 ( -2.949 0.000 -5.153) 5.937 2.418 ( 0.242 0.000 -3.544) 3.552 2.504 ( -2.174 0.000 -1.737) 2.783 2.549 ( -0.753 0.000 3.617) 3.695 2.573 ( 3.814 0.000 1.935) 4.277 2.653 ( -4.592 0.000 1.885) 4.963 2.763 ( 1.463 0.000 3.141) 3.465 2.863 ( 2.378 0.000 0.864) 2.530 2.913 ( -5.391 0.000 -2.148) 5.803 3.045 ( -1.585 0.000 -1.279) 2.037 3.120 ( 0.253 0.000 0.044) 0.256 3.243 ( -3.243 0.000 1.848) 3.732 3.325 ( 3.518 0.000 2.690) 4.428 3.355 ( 1.786 0.000 3.970) 4.353 3.434 ( 1.304 0.000 3.236) 3.489 3.599 ( -1.540 0.000 -2.806) 3.201 3.696 ( 0.724 0.000 0.051) 0.725 3.799 ( -1.138 0.000 1.501) 1.883 3.877 ( -0.733 0.000 -1.553) 1.717 3.950 ( -0.402 0.000 -0.711) 0.817 3.983 ( -1.905 0.000 1.453) 2.396 4.088 ( -0.029 0.000 -1.073) 1.074 4.148 ( 1.243 0.000 -0.700) 1.427 4.171 ( -0.285 0.000 -2.757) 2.772 4.200 ( 0.556 0.000 -2.936) 2.988 4.300 ( 0.541 0.000 0.998) 1.135 4.332 ( 2.247 0.000 0.011) 2.247 4.482 ( 0.301 0.000 -0.712) 0.773 4.505 ( 0.090 0.000 -0.593) 0.600 4.791 ( 2.100 0.000 1.328) 2.485 4.821 ( -1.045 0.000 0.172) 1.059 4.944 ( -3.192 0.000 -0.525) 3.235 4.997 ( -1.780 0.000 3.397) 3.835 5.059 ( 1.074 0.000 1.987) 2.259 5.300 ( -0.112 0.000 -0.461) 0.474 5.323 ( 0.690 0.000 0.451) 0.824 5.444 ( -5.407 0.000 1.802) 5.699 5.886 ( -0.435 0.000 -0.666) 0.796 6.161 ( -5.689 0.000 -0.156) 5.691 6.198 ( -0.418 0.000 -0.226) 0.475 6.249 ( -0.218 0.000 -0.264) 0.342 6.959 ( -0.175 0.000 0.498) 0.528 6.986 ( -0.248 0.000 -0.084) 0.262 7.366 ( 0.064 0.000 -0.071) 0.096 7.410 ( 0.064 0.000 -0.204) 0.214 8.198 ( -2.880 0.000 -1.159) 3.105 8.464 ( 0.047 0.000 -0.499) 0.501 8.498 ( -0.035 0.000 -1.192) 1.192 8.641 ( -9.110 0.000 -3.417) 9.730 8.918 ( 3.125 0.000 1.646) 3.532 9.002 ( 4.742 0.000 1.558) 4.991 9.052 ( 6.719 0.000 1.986) 7.007 9.341 ( 3.390 0.000 -5.074) 6.103 ======================= Grid point 2 (3/74) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 8.054 0.000 1.601) 8.212 0.435 ( 5.970 0.000 7.115) 9.288 0.787 ( 2.427 0.000 5.224) 5.760 1.073 ( 12.898 0.000 2.818) 13.202 1.088 ( 19.236 0.000 10.612) 21.969 1.119 ( 8.111 0.000 1.381) 8.228 1.135 ( 15.782 0.000 4.489) 16.408 1.266 ( 1.257 0.000 -2.768) 3.040 1.292 ( 1.002 0.000 -1.288) 1.632 1.468 ( -2.534 0.000 -2.874) 3.832 1.528 ( -3.712 0.000 -1.485) 3.998 1.554 ( -1.028 0.000 2.572) 2.769 1.620 ( 1.337 0.000 -2.475) 2.813 1.686 ( -2.215 0.000 3.485) 4.130 1.724 ( -1.252 0.000 0.933) 1.562 1.931 ( 0.317 0.000 3.354) 3.369 2.073 ( -0.949 0.000 -1.326) 1.630 2.126 ( -0.299 0.000 -5.074) 5.083 2.166 ( 0.747 0.000 -0.272) 0.795 2.233 ( -1.280 0.000 -3.858) 4.065 2.399 ( 0.958 0.000 -3.763) 3.883 2.434 ( -3.387 0.000 -2.152) 4.013 2.499 ( -6.536 0.000 1.305) 6.665 2.573 ( -5.359 0.000 2.034) 5.732 2.668 ( 3.965 0.000 2.793) 4.850 2.786 ( -1.304 0.000 -0.359) 1.352 2.847 ( -1.337 0.000 2.368) 2.719 2.908 ( 1.118 0.000 1.114) 1.578 2.998 ( -2.153 0.000 -1.588) 2.675 3.174 ( 4.141 0.000 2.663) 4.923 3.187 ( -3.785 0.000 0.805) 3.870 3.373 ( 1.755 0.000 0.963) 2.002 3.440 ( 3.992 0.000 2.953) 4.966 3.501 ( 2.210 0.000 3.131) 3.832 3.555 ( -0.486 0.000 -1.705) 1.773 3.718 ( 0.534 0.000 2.360) 2.420 3.789 ( -1.421 0.000 1.710) 2.223 3.836 ( -1.652 0.000 -3.400) 3.780 3.919 ( -2.047 0.000 -2.103) 2.935 3.954 ( -2.457 0.000 1.489) 2.873 4.093 ( 0.945 0.000 0.409) 1.030 4.153 ( -0.155 0.000 -0.243) 0.288 4.163 ( 1.454 0.000 -1.735) 2.264 4.193 ( 0.846 0.000 -2.095) 2.260 4.321 ( 0.698 0.000 0.889) 1.131 4.359 ( 0.975 0.000 -0.834) 1.283 4.480 ( 0.115 0.000 -1.476) 1.481 4.496 ( -0.025 0.000 -1.367) 1.367 4.794 ( -2.162 0.000 0.184) 2.170 4.850 ( 2.675 0.000 1.949) 3.310 4.866 ( -4.606 0.000 -0.634) 4.650 5.000 ( -0.183 0.000 1.691) 1.701 5.098 ( 1.518 0.000 1.804) 2.358 5.296 ( -0.028 0.000 -0.423) 0.424 5.329 ( -7.500 0.000 -0.827) 7.545 5.338 ( 0.531 0.000 0.429) 0.682 5.867 ( -0.830 0.000 -1.037) 1.328 6.048 ( -5.196 0.000 -1.636) 5.448 6.189 ( -0.353 0.000 -0.205) 0.408 6.239 ( -0.585 0.000 -0.550) 0.803 6.961 ( -0.138 0.000 0.624) 0.639 6.983 ( 0.036 0.000 -0.303) 0.305 7.367 ( 0.026 0.000 -0.090) 0.094 7.409 ( 0.003 0.000 -0.272) 0.272 8.131 ( -3.020 0.000 -1.239) 3.265 8.455 ( -8.186 0.000 -2.884) 8.679 8.457 ( -0.136 0.000 -0.644) 0.658 8.492 ( 0.207 0.000 -0.749) 0.777 9.003 ( 4.103 0.000 1.990) 4.560 9.113 ( 5.320 0.000 1.787) 5.612 9.173 ( 5.212 0.000 1.296) 5.371 9.368 ( 2.466 0.000 -1.465) 2.868 ======================= Grid point 3 (4/74) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 6.279 0.000 1.394) 6.432 0.559 ( 3.128 0.000 3.515) 4.705 0.848 ( 0.873 0.000 3.314) 3.427 1.198 ( 2.268 0.000 -2.181) 3.147 1.288 ( 4.555 0.000 1.533) 4.806 1.305 ( 3.516 0.000 -2.440) 4.280 1.325 ( 6.958 0.000 2.831) 7.512 1.343 ( 4.085 0.000 4.241) 5.888 1.393 ( -1.846 0.000 -4.201) 4.589 1.407 ( 3.406 0.000 -0.085) 3.407 1.511 ( 3.623 0.000 7.428) 8.265 1.571 ( 1.249 0.000 0.783) 1.474 1.645 ( 4.510 0.000 -4.155) 6.132 1.669 ( -3.331 0.000 4.609) 5.686 1.736 ( 1.496 0.000 1.487) 2.109 1.982 ( 3.057 0.000 0.882) 3.182 2.052 ( -0.383 0.000 -0.630) 0.737 2.074 ( -0.762 0.000 -3.298) 3.385 2.172 ( -0.048 0.000 -0.174) 0.181 2.187 ( -1.412 0.000 -2.716) 3.061 2.351 ( -5.296 0.000 -0.184) 5.299 2.368 ( -1.812 0.000 -1.617) 2.429 2.415 ( -1.208 0.000 -0.706) 1.399 2.510 ( -2.873 0.000 1.190) 3.109 2.745 ( 2.312 0.000 2.016) 3.067 2.762 ( -0.066 0.000 -0.985) 0.987 2.835 ( -2.181 0.000 1.732) 2.785 2.910 ( -1.408 0.000 0.214) 1.424 2.953 ( -1.260 0.000 -1.278) 1.794 3.134 ( -2.420 0.000 0.390) 2.451 3.272 ( 2.837 0.000 2.907) 4.062 3.434 ( 4.632 0.000 0.396) 4.649 3.497 ( 0.934 0.000 -0.068) 0.937 3.554 ( 1.776 0.000 1.208) 2.148 3.596 ( 4.057 0.000 3.009) 5.051 3.741 ( -0.552 0.000 2.247) 2.314 3.772 ( -2.367 0.000 -1.792) 2.969 3.775 ( -0.874 0.000 0.113) 0.881 3.847 ( -3.722 0.000 -2.366) 4.411 3.925 ( -1.613 0.000 0.716) 1.765 4.122 ( 1.022 0.000 1.601) 1.900 4.162 ( 0.183 0.000 1.972) 1.981 4.170 ( 1.067 0.000 -2.400) 2.626 4.194 ( 1.002 0.000 -2.134) 2.357 4.332 ( 0.068 0.000 -0.274) 0.282 4.359 ( 0.181 0.000 -0.728) 0.750 4.453 ( -1.059 0.000 -2.299) 2.531 4.491 ( 0.306 0.000 -0.835) 0.890 4.755 ( -2.055 0.000 0.408) 2.095 4.788 ( -3.133 0.000 -0.451) 3.165 4.912 ( 2.640 0.000 1.550) 3.061 5.011 ( -0.400 0.000 1.415) 1.471 5.135 ( 1.138 0.000 1.007) 1.520 5.190 ( -5.892 0.000 -1.686) 6.129 5.293 ( -0.012 0.000 -0.240) 0.240 5.347 ( 0.218 0.000 0.282) 0.357 5.845 ( -0.724 0.000 -0.816) 1.091 5.965 ( -2.753 0.000 -1.016) 2.935 6.184 ( -0.090 0.000 -0.029) 0.095 6.222 ( -0.653 0.000 -0.573) 0.869 6.964 ( -0.036 0.000 0.419) 0.421 6.982 ( 0.101 0.000 -0.221) 0.243 7.366 ( -0.053 0.000 -0.067) 0.085 7.406 ( -0.083 0.000 -0.175) 0.194 8.084 ( -1.295 0.000 -0.559) 1.411 8.316 ( -5.001 0.000 -1.693) 5.280 8.454 ( 0.179 0.000 -0.353) 0.396 8.491 ( 0.132 0.000 -0.340) 0.365 9.079 ( 2.613 0.000 1.255) 2.899 9.202 ( 3.052 0.000 1.008) 3.214 9.255 ( 2.967 0.000 0.655) 3.039 9.399 ( 1.500 0.000 -0.330) 1.535 ======================= Grid point 4 (5/74) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.000 0.000 0.000) 0.000 0.601 ( 0.000 0.000 -0.000) 0.000 0.870 ( 0.000 0.000 0.000) 0.000 1.204 ( 0.000 0.000 0.000) 0.000 1.332 ( -0.000 0.000 -0.000) 0.000 1.335 ( -0.000 0.000 0.000) 0.000 1.351 ( 0.000 0.000 0.000) 0.000 1.379 ( -0.000 0.000 0.000) 0.000 1.406 ( 0.000 0.000 -0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.595 ( 0.000 0.000 -0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 0.000 0.000) 0.000 1.766 ( 0.000 0.000 0.000) 0.000 2.028 ( -0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 -0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 -0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.777 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.888 ( -0.000 0.000 -0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.500 ( -0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.572 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.771 ( 0.000 0.000 -0.000) 0.000 3.776 ( -0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.179 ( 0.000 0.000 -0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.001 ( -0.000 0.000 0.000) 0.000 5.126 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.184 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.965 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 -0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.455 ( 0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 9.108 ( 0.000 0.000 0.000) 0.000 9.233 ( 0.000 0.000 0.000) 0.000 9.285 ( 0.000 0.000 0.000) 0.000 9.411 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/74) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.214 ( 0.000 10.068 0.000) 10.068 0.316 ( 0.000 14.183 0.000) 14.183 0.378 ( 0.000 -4.926 0.000) 4.926 0.565 ( 0.000 -0.971 0.000) 0.971 0.610 ( 0.000 17.197 0.000) 17.197 0.831 ( 0.000 0.829 0.000) 0.829 0.853 ( 0.000 -2.535 0.000) 2.535 1.086 ( 0.000 -16.646 0.000) 16.646 1.293 ( 0.000 6.834 0.000) 6.834 1.438 ( 0.000 -4.869 0.000) 4.869 1.614 ( 0.000 0.856 0.000) 0.856 1.638 ( 0.000 -1.622 0.000) 1.622 1.640 ( 0.000 2.119 0.000) 2.119 1.677 ( 0.000 -1.400 0.000) 1.400 1.788 ( 0.000 1.634 0.000) 1.634 1.856 ( 0.000 -4.770 0.000) 4.770 2.023 ( 0.000 0.230 0.000) 0.230 2.097 ( 0.000 -4.109 0.000) 4.109 2.300 ( 0.000 4.379 0.000) 4.379 2.353 ( 0.000 -1.659 0.000) 1.659 2.491 ( 0.000 4.009 0.000) 4.009 2.512 ( 0.000 3.240 0.000) 3.240 2.534 ( 0.000 0.881 0.000) 0.881 2.538 ( 0.000 0.388 0.000) 0.388 2.679 ( 0.000 -0.297 0.000) 0.297 2.713 ( 0.000 -2.854 0.000) 2.854 2.750 ( 0.000 2.879 0.000) 2.879 2.877 ( 0.000 -7.771 0.000) 7.771 3.110 ( 0.000 3.173 0.000) 3.173 3.142 ( 0.000 0.751 0.000) 0.751 3.213 ( 0.000 -0.069 0.000) 0.069 3.219 ( 0.000 -0.568 0.000) 0.568 3.331 ( 0.000 2.650 0.000) 2.650 3.389 ( 0.000 -2.452 0.000) 2.452 3.620 ( 0.000 3.861 0.000) 3.861 3.732 ( 0.000 -5.835 0.000) 5.835 3.787 ( 0.000 7.540 0.000) 7.540 3.918 ( 0.000 -3.931 0.000) 3.931 3.924 ( 0.000 3.011 0.000) 3.011 3.996 ( 0.000 -3.345 0.000) 3.345 4.113 ( 0.000 0.843 0.000) 0.843 4.130 ( 0.000 -0.640 0.000) 0.640 4.194 ( 0.000 0.344 0.000) 0.344 4.202 ( 0.000 -0.541 0.000) 0.541 4.294 ( 0.000 0.108 0.000) 0.108 4.297 ( 0.000 -0.137 0.000) 0.137 4.494 ( 0.000 0.807 0.000) 0.807 4.504 ( 0.000 -0.170 0.000) 0.170 4.756 ( 0.000 -0.483 0.000) 0.483 4.761 ( 0.000 -0.660 0.000) 0.660 4.889 ( 0.000 -0.542 0.000) 0.542 4.924 ( 0.000 -3.430 0.000) 3.430 5.120 ( 0.000 5.093 0.000) 5.093 5.210 ( 0.000 -3.725 0.000) 3.725 5.477 ( 0.000 10.098 0.000) 10.098 5.695 ( 0.000 -10.623 0.000) 10.623 6.063 ( 0.000 6.371 0.000) 6.371 6.163 ( 0.000 -3.302 0.000) 3.302 6.229 ( 0.000 0.986 0.000) 0.986 6.248 ( 0.000 -0.789 0.000) 0.789 6.966 ( 0.000 0.663 0.000) 0.663 6.982 ( 0.000 -0.697 0.000) 0.697 7.377 ( 0.000 0.970 0.000) 0.970 7.399 ( 0.000 -0.996 0.000) 0.996 8.471 ( 0.000 0.608 0.000) 0.608 8.485 ( 0.000 -0.630 0.000) 0.630 8.750 ( 0.000 0.753 0.000) 0.753 8.766 ( 0.000 -0.582 0.000) 0.582 8.932 ( 0.000 0.026 0.000) 0.026 8.940 ( 0.000 -0.641 0.000) 0.641 9.012 ( 0.000 0.565 0.000) 0.565 9.019 ( 0.000 -0.104 0.000) 0.104 ======================= Grid point 10 (7/74) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 3.064 11.017 7.781) 13.831 0.561 ( 12.887 6.375 6.368) 15.725 0.581 ( 5.289 3.380 4.314) 7.617 0.656 ( 11.713 8.437 3.868) 14.944 0.691 ( 18.129 -2.660 6.340) 19.389 0.911 ( 7.702 1.943 3.732) 8.776 0.958 ( 7.624 -2.236 2.697) 8.391 1.072 ( 1.108 -15.289 -4.282) 15.916 1.350 ( 1.986 2.684 1.116) 3.520 1.449 ( 1.117 -4.701 2.542) 5.460 1.576 ( -2.820 0.986 -1.980) 3.584 1.605 ( -2.566 -1.108 -1.788) 3.317 1.646 ( -0.076 1.670 0.883) 1.891 1.675 ( -0.534 -1.061 0.450) 1.270 1.775 ( -0.593 2.457 0.138) 2.531 1.862 ( 0.568 -5.225 0.257) 5.262 1.995 ( -1.417 1.101 -1.820) 2.556 2.088 ( -0.583 -5.441 -1.143) 5.590 2.288 ( -0.931 3.860 -1.011) 4.097 2.322 ( -2.140 0.117 -3.205) 3.856 2.436 ( -2.441 3.412 -1.902) 4.606 2.495 ( -2.148 -0.351 -0.640) 2.269 2.572 ( -0.871 0.637 0.458) 1.172 2.587 ( 1.969 -0.235 2.643) 3.305 2.669 ( -0.357 3.043 2.027) 3.673 2.770 ( 3.365 -5.308 2.962) 6.948 2.784 ( 2.260 1.875 1.584) 3.337 2.872 ( -1.558 -4.893 -1.226) 5.279 3.062 ( -2.013 2.119 -0.843) 3.042 3.103 ( -1.361 -1.350 -0.009) 1.918 3.234 ( 1.067 1.505 2.568) 3.162 3.275 ( 1.197 -2.131 1.165) 2.707 3.406 ( 3.848 1.935 4.241) 6.045 3.435 ( 3.334 -0.696 4.101) 5.331 3.598 ( -1.142 2.851 -1.888) 3.605 3.704 ( -1.464 -6.081 -1.187) 6.367 3.781 ( -0.397 6.776 -0.483) 6.805 3.904 ( -0.861 -3.971 -1.440) 4.311 3.917 ( -0.727 3.288 -0.645) 3.429 3.989 ( -1.168 -2.657 0.888) 3.035 4.102 ( -0.238 1.034 -0.958) 1.430 4.128 ( 0.235 -1.374 -1.209) 1.845 4.185 ( 0.041 0.814 -1.382) 1.604 4.198 ( 0.308 -0.384 -1.679) 1.749 4.306 ( 0.664 0.524 1.214) 1.480 4.321 ( 1.391 -0.813 0.985) 1.888 4.492 ( 0.200 0.780 -0.786) 1.125 4.505 ( 0.246 -0.291 -0.851) 0.932 4.783 ( 2.183 -0.004 1.744) 2.794 4.802 ( 1.667 -1.323 1.320) 2.504 4.887 ( -0.349 -2.009 0.827) 2.201 4.901 ( -1.911 -3.079 0.272) 3.634 5.127 ( -0.037 4.407 1.072) 4.536 5.209 ( -0.306 -3.754 0.115) 3.769 5.447 ( -2.409 8.600 -0.749) 8.962 5.597 ( -7.982 -3.011 -1.564) 8.673 5.966 ( -4.634 8.127 -1.996) 9.566 6.104 ( -5.219 -4.764 -1.375) 7.199 6.219 ( -0.705 1.304 -0.152) 1.490 6.242 ( -0.354 -0.767 -0.269) 0.887 6.964 ( -0.233 0.549 0.295) 0.665 6.978 ( -0.288 -0.702 0.050) 0.761 7.377 ( 0.039 0.959 -0.040) 0.960 7.399 ( 0.048 -0.971 -0.133) 0.981 8.416 ( -10.682 8.993 -2.282) 14.149 8.481 ( -0.348 -0.533 -0.270) 0.691 8.495 ( -3.692 3.467 -3.435) 6.120 8.606 ( -10.158 -3.646 -4.096) 11.543 8.931 ( 3.197 1.288 1.670) 3.830 8.968 ( 3.878 -2.071 1.773) 4.741 9.115 ( 7.375 4.789 1.180) 8.872 9.237 ( 7.533 -6.859 -0.966) 10.233 ======================= Grid point 11 (8/74) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 2.730 8.094 9.624) 12.868 0.633 ( 4.551 18.514 -3.892) 19.458 0.691 ( 3.139 -6.070 5.556) 8.807 1.000 ( 6.537 -11.671 2.457) 13.600 1.080 ( 14.341 0.558 5.628) 15.416 1.097 ( 10.433 -1.856 3.080) 11.036 1.132 ( 13.573 0.223 3.035) 13.910 1.162 ( 10.468 -2.844 1.224) 10.916 1.385 ( 2.269 5.669 1.678) 6.332 1.493 ( -3.600 -0.370 -2.682) 4.504 1.502 ( 1.137 -1.207 1.604) 2.307 1.538 ( -1.771 -1.185 -0.915) 2.319 1.643 ( -0.537 1.285 -0.149) 1.401 1.665 ( -1.402 -1.392 2.464) 3.158 1.780 ( 0.618 3.998 1.013) 4.170 1.884 ( 1.897 -5.099 0.108) 5.442 1.960 ( -0.388 -0.251 -2.372) 2.416 2.060 ( -1.113 -6.711 -1.662) 7.003 2.248 ( -2.143 3.603 -2.497) 4.879 2.259 ( -1.245 1.205 -2.834) 3.321 2.387 ( -1.704 0.748 -1.435) 2.350 2.434 ( -4.426 -2.508 0.373) 5.101 2.525 ( -3.039 3.144 -0.886) 4.461 2.571 ( -4.128 -1.036 1.118) 4.400 2.723 ( 2.617 4.955 2.462) 6.120 2.803 ( -1.163 1.195 0.012) 1.668 2.829 ( -1.050 -1.752 1.185) 2.361 2.840 ( 1.166 -4.959 1.459) 5.299 3.026 ( -1.712 2.647 -0.751) 3.241 3.096 ( -1.182 -3.831 0.635) 4.059 3.276 ( 3.062 3.506 2.128) 5.118 3.324 ( 3.152 -2.243 1.619) 4.194 3.499 ( 3.435 2.703 3.461) 5.575 3.521 ( 1.743 0.437 2.924) 3.432 3.572 ( -0.314 3.250 0.301) 3.279 3.685 ( -0.827 -6.991 1.095) 7.125 3.769 ( -0.445 4.386 -0.301) 4.419 3.863 ( -1.923 -3.833 -2.627) 5.029 3.881 ( -2.176 3.993 -2.116) 5.016 3.964 ( -2.123 -2.400 0.234) 3.213 4.103 ( 0.735 0.917 0.453) 1.259 4.128 ( 0.506 -1.419 0.068) 1.508 4.180 ( 0.666 0.777 -1.472) 1.792 4.192 ( 0.682 -0.323 -1.910) 2.054 4.327 ( 0.670 0.606 0.716) 1.153 4.345 ( 0.756 -1.034 -0.090) 1.284 4.488 ( 0.270 0.576 -1.541) 1.667 4.497 ( 0.089 -0.126 -1.786) 1.793 4.799 ( -2.073 0.559 0.150) 2.152 4.820 ( -1.265 -1.472 0.635) 2.042 4.875 ( 0.861 0.522 1.538) 1.838 4.922 ( 1.595 -4.068 2.115) 4.854 5.129 ( -0.624 2.676 1.010) 2.928 5.193 ( -1.686 -3.635 -0.173) 4.011 5.401 ( -1.744 4.750 -0.547) 5.090 5.455 ( -5.925 1.799 -1.133) 6.295 5.898 ( -2.090 3.795 -1.356) 4.540 5.997 ( -4.554 -4.472 -1.707) 6.607 6.206 ( -0.535 1.338 -0.276) 1.467 6.231 ( -0.599 -0.826 -0.461) 1.120 6.964 ( -0.052 0.384 0.418) 0.570 6.976 ( -0.005 -0.596 -0.034) 0.597 7.377 ( 0.011 0.931 -0.111) 0.937 7.398 ( 0.004 -0.934 -0.204) 0.956 8.235 ( -6.191 8.037 -2.275) 10.397 8.386 ( -7.519 -5.675 -2.716) 9.803 8.473 ( -0.243 1.084 -0.667) 1.296 8.493 ( -0.485 -0.534 -1.028) 1.256 9.020 ( 4.292 1.621 1.977) 4.995 9.067 ( 4.784 -2.765 1.913) 5.848 9.234 ( 5.095 4.237 0.708) 6.664 9.323 ( 3.738 -3.876 -0.573) 5.415 ======================= Grid point 12 (9/74) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 1.314 6.498 7.631) 10.108 0.688 ( 4.457 12.850 -4.040) 14.189 0.779 ( 2.141 -2.470 3.935) 5.116 1.046 ( 2.106 -13.628 -1.591) 13.882 1.265 ( 5.402 0.114 0.621) 5.438 1.294 ( 5.754 -2.169 1.207) 6.267 1.318 ( 5.391 0.823 0.282) 5.461 1.339 ( 5.113 -0.782 0.974) 5.264 1.401 ( -1.495 1.801 0.411) 2.376 1.430 ( -1.258 -0.414 -0.949) 1.629 1.533 ( 0.254 1.776 4.355) 4.710 1.571 ( 0.711 -1.159 1.521) 2.040 1.657 ( 4.599 2.866 0.507) 5.443 1.703 ( 3.296 0.400 1.880) 3.815 1.806 ( 1.085 5.777 1.068) 5.974 1.923 ( 2.636 -5.508 -1.671) 6.331 1.958 ( 1.525 -1.356 0.436) 2.087 2.025 ( -1.326 -6.888 -1.695) 7.216 2.194 ( -1.678 3.512 -1.779) 4.280 2.223 ( -0.818 0.491 -1.761) 2.003 2.351 ( -2.792 -0.165 -0.288) 2.811 2.353 ( -3.010 -0.646 0.533) 3.124 2.470 ( -1.989 2.949 -1.125) 3.731 2.505 ( -2.974 -0.693 0.232) 3.062 2.772 ( 0.705 2.808 1.236) 3.148 2.781 ( -0.239 1.529 -0.036) 1.548 2.817 ( -1.323 -1.436 1.197) 2.290 2.858 ( -0.193 -4.170 0.732) 4.238 2.987 ( -1.611 3.008 -1.044) 3.568 3.065 ( -1.880 -4.263 -0.108) 4.661 3.368 ( 3.630 4.993 2.837) 6.793 3.412 ( 5.353 0.018 0.793) 5.411 3.552 ( 0.774 0.329 1.430) 1.659 3.575 ( 0.524 0.374 1.938) 2.043 3.589 ( 2.195 3.218 1.691) 4.247 3.678 ( -1.145 -6.498 1.509) 6.768 3.761 ( -0.694 0.806 -0.276) 1.099 3.801 ( -1.894 -2.463 -3.462) 4.651 3.815 ( -2.766 5.009 -1.256) 5.858 3.923 ( -2.198 -3.139 -0.063) 3.832 4.129 ( 0.905 0.633 1.558) 1.910 4.145 ( 0.601 -0.921 1.320) 1.719 4.183 ( 0.849 0.661 -1.388) 1.756 4.193 ( 0.948 -0.262 -1.793) 2.045 4.337 ( 0.137 0.479 -0.194) 0.535 4.350 ( 0.237 -0.695 -0.292) 0.790 4.469 ( -0.526 1.200 -2.127) 2.499 4.487 ( 0.167 -0.470 -1.305) 1.397 4.758 ( -2.113 0.504 0.296) 2.192 4.776 ( -2.501 -0.972 -0.019) 2.683 4.923 ( 2.002 0.923 1.515) 2.675 4.960 ( 0.691 -2.795 1.385) 3.195 5.124 ( -0.567 -0.123 0.628) 0.855 5.146 ( -2.566 -1.930 -0.769) 3.301 5.374 ( -1.334 3.090 -0.531) 3.407 5.382 ( -1.326 2.194 -0.093) 2.565 5.860 ( -1.119 2.026 -0.862) 2.470 5.925 ( -2.290 -3.381 -0.980) 4.200 6.197 ( -0.296 1.017 -0.172) 1.073 6.215 ( -0.577 -0.648 -0.453) 0.979 6.967 ( 0.021 0.332 0.279) 0.435 6.976 ( 0.079 -0.484 -0.043) 0.493 7.376 ( -0.058 0.898 -0.089) 0.905 7.396 ( -0.073 -0.891 -0.143) 0.905 8.146 ( -2.541 5.284 -0.985) 5.945 8.261 ( -4.250 -4.857 -1.516) 6.629 8.467 ( 0.031 1.067 -0.360) 1.126 8.486 ( 0.023 -0.594 -0.378) 0.705 9.098 ( 2.699 1.821 1.212) 3.474 9.150 ( 2.899 -3.059 1.100) 4.356 9.309 ( 2.712 3.363 0.402) 4.339 9.372 ( 1.968 -2.431 -0.076) 3.129 ======================= Grid point 13 (10/74) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.000 5.156 0.000) 5.156 0.714 ( 0.000 11.118 -0.000) 11.118 0.816 ( 0.000 -0.694 0.000) 0.694 1.060 ( 0.000 -12.548 0.000) 12.548 1.315 ( 0.000 -0.503 0.000) 0.503 1.328 ( 0.000 -1.139 0.000) 1.139 1.354 ( 0.000 0.004 0.000) 0.004 1.359 ( 0.000 -0.905 0.000) 0.905 1.424 ( 0.000 1.242 -0.000) 1.242 1.431 ( 0.000 1.181 0.000) 1.181 1.545 ( 0.000 -1.110 -0.000) 1.110 1.570 ( 0.000 -2.197 0.000) 2.197 1.734 ( 0.000 2.793 0.000) 2.793 1.737 ( 0.000 3.756 0.000) 3.756 1.828 ( 0.000 5.764 0.000) 5.764 1.956 ( 0.000 -1.985 0.000) 1.985 1.984 ( 0.000 -3.810 0.000) 3.810 1.994 ( -0.000 -8.693 0.000) 8.693 2.169 ( 0.000 4.175 0.000) 4.175 2.207 ( 0.000 0.030 0.000) 0.030 2.307 ( 0.000 1.459 0.000) 1.459 2.340 ( 0.000 -0.988 0.000) 0.988 2.445 ( 0.000 2.396 0.000) 2.396 2.479 ( 0.000 -1.024 0.000) 1.024 2.774 ( 0.000 0.992 0.000) 0.992 2.787 ( 0.000 0.738 0.000) 0.738 2.811 ( 0.000 0.184 0.000) 0.184 2.857 ( -0.000 -2.804 0.000) 2.804 2.966 ( 0.000 2.809 0.000) 2.809 3.045 ( 0.000 -4.520 0.000) 4.520 3.415 ( 0.000 6.849 0.000) 6.849 3.484 ( 0.000 5.066 0.000) 5.066 3.552 ( 0.000 -5.775 0.000) 5.775 3.599 ( 0.000 -1.825 0.000) 1.825 3.622 ( 0.000 2.989 0.000) 2.989 3.671 ( 0.000 -6.315 0.000) 6.315 3.743 ( 0.000 1.009 -0.000) 1.009 3.754 ( 0.000 0.468 0.000) 0.468 3.795 ( 0.000 2.947 0.000) 2.947 3.900 ( 0.000 -3.688 0.000) 3.688 4.147 ( 0.000 0.473 -0.000) 0.473 4.158 ( 0.000 -0.558 0.000) 0.558 4.186 ( 0.000 0.550 -0.000) 0.550 4.193 ( 0.000 -0.006 0.000) 0.006 4.335 ( 0.000 0.712 0.000) 0.712 4.351 ( 0.000 -0.700 0.000) 0.700 4.452 ( 0.000 1.812 0.000) 1.812 4.482 ( 0.000 -0.880 0.000) 0.880 4.739 ( 0.000 0.355 0.000) 0.355 4.751 ( 0.000 -0.553 0.000) 0.553 4.957 ( 0.000 -0.139 0.000) 0.139 4.964 ( -0.000 -1.585 0.000) 1.585 5.111 ( 0.000 -0.399 0.000) 0.399 5.126 ( 0.000 -1.429 0.000) 1.429 5.359 ( 0.000 3.279 0.000) 3.279 5.374 ( 0.000 1.309 0.000) 1.309 5.847 ( 0.000 1.609 0.000) 1.609 5.900 ( 0.000 -2.955 0.000) 2.955 6.194 ( 0.000 0.770 0.000) 0.770 6.207 ( 0.000 -0.477 0.000) 0.477 6.968 ( 0.000 0.312 0.000) 0.312 6.977 ( 0.000 -0.438 -0.000) 0.438 7.375 ( 0.000 0.885 0.000) 0.885 7.395 ( 0.000 -0.871 0.000) 0.871 8.121 ( 0.000 4.236 0.000) 4.236 8.215 ( 0.000 -4.081 0.000) 4.081 8.467 ( 0.000 0.980 0.000) 0.980 8.485 ( 0.000 -0.629 0.000) 0.629 9.128 ( 0.000 1.868 0.000) 1.868 9.181 ( 0.000 -3.114 0.000) 3.114 9.335 ( 0.000 3.028 0.000) 3.028 9.389 ( 0.000 -2.018 0.000) 2.018 ======================= Grid point 27 (11/74) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.280 ( -4.090 0.000 14.623) 15.184 0.295 ( 14.899 0.000 14.793) 20.996 0.516 ( 6.850 0.000 8.738) 11.103 0.616 ( -5.599 0.000 28.185) 28.736 0.776 ( 0.320 0.000 5.116) 5.126 0.922 ( 0.588 0.000 2.857) 2.917 0.941 ( -3.841 0.000 13.960) 14.479 1.175 ( 0.140 0.000 -5.083) 5.085 1.210 ( 6.826 0.000 0.252) 6.831 1.576 ( 0.625 0.000 2.173) 2.262 1.668 ( -3.601 0.000 5.947) 6.952 1.681 ( -2.954 0.000 3.220) 4.369 1.736 ( -5.088 0.000 8.262) 9.703 1.831 ( -5.025 0.000 13.557) 14.458 1.836 ( -4.429 0.000 6.978) 8.265 1.922 ( 2.780 0.000 0.933) 2.933 2.096 ( -1.377 0.000 -0.738) 1.562 2.152 ( -0.119 0.000 1.287) 1.292 2.209 ( -6.140 0.000 6.794) 9.157 2.307 ( -3.323 0.000 -3.867) 5.098 2.397 ( -2.664 0.000 -2.605) 3.726 2.438 ( 3.746 0.000 0.112) 3.748 2.535 ( 1.891 0.000 1.218) 2.249 2.598 ( 1.062 0.000 5.257) 5.363 2.711 ( 1.224 0.000 2.157) 2.480 2.756 ( 3.008 0.000 -0.290) 3.022 2.768 ( 2.491 0.000 2.823) 3.764 2.982 ( -3.131 0.000 -0.085) 3.132 3.043 ( -1.000 0.000 -1.739) 2.006 3.122 ( -1.730 0.000 -1.825) 2.514 3.166 ( 7.496 0.000 0.509) 7.514 3.271 ( 6.105 0.000 2.604) 6.637 3.294 ( 1.031 0.000 -0.544) 1.166 3.431 ( 2.149 0.000 1.323) 2.524 3.569 ( -1.392 0.000 -1.642) 2.153 3.694 ( -0.725 0.000 0.249) 0.767 3.806 ( -0.806 0.000 -0.014) 0.806 3.823 ( 0.943 0.000 -5.343) 5.426 3.923 ( 1.326 0.000 -3.032) 3.309 3.947 ( 3.188 0.000 -3.706) 4.889 4.101 ( -1.510 0.000 -0.257) 1.532 4.153 ( -0.464 0.000 -2.087) 2.138 4.175 ( -1.518 0.000 2.483) 2.910 4.237 ( -0.950 0.000 -0.240) 0.980 4.325 ( 1.091 0.000 1.457) 1.820 4.453 ( 0.598 0.000 -2.805) 2.868 4.474 ( 0.781 0.000 -2.991) 3.092 4.615 ( -17.483 0.000 -1.607) 17.556 4.794 ( 0.916 0.000 2.565) 2.724 4.844 ( -0.409 0.000 1.271) 1.335 4.992 ( -1.501 0.000 1.258) 1.959 5.039 ( -0.524 0.000 -0.003) 0.524 5.091 ( 3.650 0.000 -1.354) 3.893 5.298 ( -0.291 0.000 -0.706) 0.764 5.318 ( 0.429 0.000 0.500) 0.659 5.372 ( 7.090 0.000 2.170) 7.415 5.915 ( -1.894 0.000 2.102) 2.830 6.187 ( 1.288 0.000 -6.313) 6.443 6.197 ( 0.033 0.000 -0.666) 0.667 6.247 ( -0.053 0.000 -0.471) 0.474 7.046 ( -3.333 0.000 7.190) 7.925 7.360 ( 0.100 0.000 -0.477) 0.487 7.408 ( -0.201 0.000 -0.223) 0.300 7.435 ( -17.616 0.000 0.076) 17.617 8.241 ( -1.860 0.000 0.837) 2.040 8.451 ( 0.073 0.000 -1.205) 1.208 8.479 ( -0.761 0.000 -1.455) 1.642 8.738 ( -5.239 0.000 -3.124) 6.099 8.913 ( -0.356 0.000 1.731) 1.768 8.953 ( 5.927 0.000 1.742) 6.177 8.969 ( 1.274 0.000 1.934) 2.316 9.041 ( 7.553 0.000 2.025) 7.820 ======================= Grid point 28 (12/74) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( -1.406 0.000 14.037) 14.107 0.649 ( 2.626 0.000 20.050) 20.221 0.815 ( 13.905 0.000 10.377) 17.350 0.854 ( 13.449 0.000 14.102) 19.487 0.885 ( 7.736 0.000 0.415) 7.748 1.018 ( 1.236 0.000 12.292) 12.354 1.022 ( 6.435 0.000 5.745) 8.627 1.168 ( 2.440 0.000 -1.107) 2.679 1.270 ( 1.521 0.000 0.027) 1.521 1.584 ( -3.071 0.000 0.944) 3.213 1.634 ( -3.673 0.000 5.607) 6.702 1.648 ( -3.840 0.000 4.671) 6.047 1.707 ( -5.487 0.000 8.289) 9.941 1.800 ( -4.547 0.000 4.987) 6.748 1.845 ( -4.801 0.000 12.409) 13.306 1.967 ( 0.505 0.000 1.174) 1.278 2.077 ( -0.682 0.000 0.136) 0.696 2.149 ( -4.572 0.000 1.884) 4.945 2.155 ( 0.139 0.000 0.394) 0.418 2.243 ( -2.351 0.000 2.258) 3.260 2.345 ( -0.204 0.000 -2.863) 2.870 2.456 ( -1.524 0.000 -1.747) 2.318 2.610 ( -3.623 0.000 1.781) 4.036 2.615 ( 4.835 0.000 1.925) 5.204 2.705 ( -4.475 0.000 3.281) 5.548 2.814 ( -0.504 0.000 1.514) 1.596 2.830 ( 5.201 0.000 -2.275) 5.677 2.918 ( -2.709 0.000 2.752) 3.862 3.009 ( -1.266 0.000 -1.656) 2.084 3.138 ( 2.791 0.000 1.784) 3.313 3.210 ( -0.143 0.000 -2.750) 2.753 3.352 ( 1.786 0.000 0.288) 1.809 3.371 ( 5.560 0.000 0.610) 5.593 3.490 ( 2.307 0.000 1.612) 2.815 3.532 ( -0.504 0.000 -2.896) 2.940 3.708 ( 2.153 0.000 1.011) 2.379 3.785 ( -0.471 0.000 -2.184) 2.234 3.790 ( 0.273 0.000 -5.794) 5.801 3.915 ( 0.100 0.000 -2.866) 2.868 3.960 ( 1.238 0.000 -3.319) 3.542 4.089 ( 0.141 0.000 0.724) 0.738 4.142 ( 0.580 0.000 -0.759) 0.955 4.160 ( -1.548 0.000 1.102) 1.900 4.216 ( -1.734 0.000 0.607) 1.837 4.341 ( 0.070 0.000 -0.633) 0.637 4.389 ( -7.192 0.000 3.237) 7.886 4.445 ( 0.919 0.000 -2.830) 2.976 4.459 ( 0.565 0.000 -3.694) 3.737 4.836 ( -1.554 0.000 1.016) 1.857 4.845 ( 1.906 0.000 3.467) 3.956 4.944 ( -4.251 0.000 0.199) 4.255 5.029 ( -0.653 0.000 1.026) 1.216 5.112 ( 0.454 0.000 1.861) 1.916 5.290 ( -0.011 0.000 -0.665) 0.665 5.332 ( 0.630 0.000 0.495) 0.801 5.416 ( -2.296 0.000 -1.770) 2.899 5.892 ( -2.082 0.000 1.525) 2.581 6.103 ( -4.125 0.000 -4.797) 6.326 6.189 ( -0.198 0.000 -0.641) 0.671 6.239 ( -0.339 0.000 -0.702) 0.780 7.034 ( -3.786 0.000 6.486) 7.510 7.156 ( -12.467 0.000 8.878) 15.305 7.358 ( 0.186 0.000 -0.632) 0.659 7.403 ( -0.044 0.000 -0.538) 0.539 8.190 ( -3.828 0.000 0.417) 3.851 8.450 ( 0.045 0.000 -0.887) 0.889 8.468 ( 0.736 0.000 -1.486) 1.658 8.575 ( -8.493 0.000 -2.983) 9.002 8.965 ( 3.162 0.000 2.796) 4.221 9.044 ( 4.521 0.000 2.134) 4.999 9.085 ( 6.370 0.000 1.519) 6.549 9.224 ( 9.163 0.000 -3.259) 9.725 ======================= Grid point 29 (13/74) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 1.714 0.000 13.194) 13.305 0.778 ( -4.982 0.000 21.529) 22.098 0.984 ( -2.572 0.000 11.459) 11.745 1.006 ( 7.489 0.000 -5.384) 9.223 1.163 ( 10.032 0.000 0.728) 10.058 1.213 ( 8.015 0.000 6.123) 10.086 1.223 ( 10.773 0.000 3.104) 11.212 1.244 ( 4.971 0.000 2.281) 5.469 1.374 ( 8.184 0.000 8.760) 11.989 1.490 ( -6.847 0.000 2.179) 7.185 1.627 ( -4.377 0.000 9.246) 10.230 1.629 ( -1.997 0.000 3.563) 4.084 1.678 ( -4.326 0.000 6.675) 7.955 1.768 ( -2.237 0.000 3.647) 4.278 1.848 ( -5.168 0.000 9.135) 10.496 1.965 ( 0.064 0.000 0.272) 0.279 2.069 ( -1.137 0.000 1.867) 2.186 2.091 ( -2.996 0.000 1.558) 3.377 2.169 ( 0.692 0.000 0.757) 1.025 2.239 ( -2.853 0.000 6.460) 7.062 2.347 ( 1.749 0.000 -1.145) 2.090 2.394 ( -2.972 0.000 -1.178) 3.196 2.518 ( -6.507 0.000 0.892) 6.568 2.621 ( -5.920 0.000 2.686) 6.501 2.716 ( 3.421 0.000 1.965) 3.945 2.783 ( -2.646 0.000 0.128) 2.650 2.880 ( 2.702 0.000 -3.223) 4.206 2.911 ( -2.239 0.000 3.335) 4.017 2.967 ( -2.186 0.000 -1.043) 2.422 3.165 ( -2.065 0.000 -2.480) 3.228 3.235 ( 4.853 0.000 3.011) 5.712 3.371 ( 1.709 0.000 -1.150) 2.060 3.459 ( 2.857 0.000 -0.666) 2.933 3.528 ( 1.560 0.000 0.010) 1.560 3.536 ( 3.917 0.000 0.049) 3.917 3.738 ( -0.094 0.000 -3.385) 3.387 3.748 ( -0.635 0.000 -5.055) 5.095 3.774 ( 1.851 0.000 0.580) 1.940 3.879 ( -1.697 0.000 -2.097) 2.697 3.943 ( -0.136 0.000 -2.773) 2.777 4.106 ( 0.194 0.000 1.177) 1.193 4.150 ( 0.496 0.000 0.084) 0.504 4.150 ( 0.413 0.000 -0.490) 0.641 4.203 ( -0.337 0.000 1.949) 1.978 4.323 ( -0.292 0.000 -1.545) 1.572 4.354 ( -0.556 0.000 0.364) 0.665 4.427 ( 0.004 0.000 -3.348) 3.348 4.453 ( 1.610 0.000 -2.702) 3.145 4.805 ( -2.455 0.000 0.644) 2.538 4.856 ( -5.036 0.000 -0.538) 5.065 4.906 ( 1.734 0.000 3.270) 3.701 5.036 ( 0.018 0.000 1.954) 1.954 5.136 ( 0.580 0.000 1.340) 1.460 5.286 ( 0.177 0.000 -0.594) 0.620 5.308 ( -7.466 0.000 -0.643) 7.494 5.345 ( 0.393 0.000 0.289) 0.488 5.868 ( -1.767 0.000 1.363) 2.231 6.003 ( -3.443 0.000 -2.401) 4.197 6.182 ( -0.031 0.000 -0.437) 0.438 6.225 ( -0.555 0.000 -0.762) 0.943 7.019 ( -3.046 0.000 5.372) 6.176 7.073 ( -5.147 0.000 6.769) 8.504 7.356 ( 0.240 0.000 -0.823) 0.857 7.398 ( 0.137 0.000 -0.743) 0.756 8.130 ( -3.229 0.000 1.128) 3.420 8.413 ( -7.297 0.000 -1.328) 7.417 8.444 ( 0.175 0.000 -0.670) 0.692 8.476 ( 0.858 0.000 -0.719) 1.119 9.045 ( 3.205 0.000 2.022) 3.790 9.141 ( 4.506 0.000 0.762) 4.570 9.196 ( 4.767 0.000 1.193) 4.914 9.325 ( 4.975 0.000 -2.083) 5.393 ======================= Grid point 30 (14/74) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -0.002 0.000 10.761) 10.761 0.824 ( -7.625 0.000 18.493) 20.004 0.992 ( -4.958 0.000 9.165) 10.420 1.073 ( 5.237 0.000 -5.954) 7.930 1.278 ( 3.674 0.000 1.728) 4.060 1.324 ( 2.982 0.000 1.773) 3.469 1.354 ( 2.374 0.000 0.816) 2.511 1.373 ( 2.363 0.000 3.157) 3.944 1.425 ( -1.330 0.000 3.502) 3.746 1.549 ( 0.627 0.000 7.147) 7.175 1.615 ( -1.910 0.000 1.942) 2.723 1.622 ( -3.313 0.000 3.154) 4.574 1.695 ( 0.828 0.000 8.337) 8.378 1.791 ( 0.767 0.000 4.188) 4.257 1.801 ( -6.030 0.000 6.417) 8.806 2.005 ( 3.032 0.000 2.539) 3.955 2.068 ( -0.904 0.000 2.669) 2.818 2.077 ( -0.376 0.000 2.785) 2.810 2.179 ( -0.581 0.000 1.286) 1.412 2.219 ( -5.689 0.000 6.807) 8.871 2.360 ( -0.751 0.000 1.185) 1.403 2.366 ( -0.952 0.000 1.861) 2.090 2.428 ( -3.843 0.000 1.958) 4.314 2.548 ( -4.353 0.000 2.624) 5.083 2.745 ( -0.782 0.000 -0.725) 1.066 2.767 ( 1.174 0.000 0.053) 1.175 2.881 ( 0.388 0.000 -3.180) 3.204 2.883 ( -3.242 0.000 2.669) 4.199 2.923 ( -1.118 0.000 -1.032) 1.522 3.113 ( -1.369 0.000 -2.041) 2.457 3.293 ( 0.525 0.000 -1.423) 1.517 3.437 ( 5.409 0.000 0.330) 5.419 3.482 ( 1.624 0.000 -1.203) 2.021 3.547 ( 1.050 0.000 -1.466) 1.803 3.644 ( 4.771 0.000 1.826) 5.108 3.682 ( -0.377 0.000 -7.072) 7.082 3.719 ( 0.634 0.000 -1.282) 1.430 3.779 ( -2.046 0.000 -0.734) 2.174 3.829 ( -2.165 0.000 -1.313) 2.533 3.917 ( -0.535 0.000 -1.965) 2.037 4.106 ( 0.322 0.000 -1.411) 1.447 4.146 ( 0.166 0.000 -1.530) 1.539 4.181 ( 1.349 0.000 2.029) 2.437 4.226 ( 0.316 0.000 2.277) 2.299 4.315 ( 0.651 0.000 -0.954) 1.155 4.352 ( 0.348 0.000 -0.228) 0.416 4.413 ( 0.942 0.000 -1.352) 1.648 4.466 ( 1.697 0.000 -1.640) 2.359 4.764 ( -2.581 0.000 0.277) 2.596 4.775 ( -2.620 0.000 -0.772) 2.732 4.953 ( 0.947 0.000 2.329) 2.514 5.046 ( -1.464 0.000 1.761) 2.290 5.142 ( -0.835 0.000 -0.370) 0.913 5.188 ( -4.499 0.000 1.507) 4.745 5.286 ( 0.309 0.000 -0.444) 0.541 5.349 ( 0.025 0.000 -0.091) 0.094 5.854 ( -1.111 0.000 1.782) 2.100 5.947 ( -1.480 0.000 -0.599) 1.597 6.180 ( 0.124 0.000 -0.363) 0.383 6.212 ( -0.193 0.000 -0.314) 0.368 7.010 ( -2.391 0.000 4.415) 5.020 7.053 ( -3.062 0.000 5.983) 6.721 7.354 ( 0.322 0.000 -0.958) 1.010 7.396 ( 0.289 0.000 -0.773) 0.825 8.099 ( -1.618 0.000 2.049) 2.611 8.305 ( -4.051 0.000 0.436) 4.074 8.448 ( 0.570 0.000 -0.214) 0.609 8.484 ( 0.518 0.000 -0.277) 0.588 9.100 ( 1.415 0.000 0.718) 1.587 9.205 ( 2.484 0.000 -0.666) 2.571 9.269 ( 2.286 0.000 0.686) 2.387 9.377 ( 2.597 0.000 -1.615) 3.058 ======================= Grid point 31 (15/74) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -5.849 0.000 7.653) 9.632 0.796 ( -10.229 0.000 14.864) 18.044 0.962 ( -6.308 0.000 9.035) 11.019 1.107 ( 3.876 0.000 -5.542) 6.763 1.322 ( -0.485 0.000 -0.110) 0.498 1.354 ( -1.886 0.000 0.328) 1.914 1.361 ( -1.532 0.000 1.115) 1.895 1.399 ( -0.870 0.000 1.995) 2.177 1.436 ( -1.182 0.000 3.298) 3.503 1.549 ( -5.487 0.000 -1.512) 5.691 1.576 ( -4.021 0.000 10.840) 11.562 1.603 ( 0.082 0.000 0.782) 0.786 1.745 ( -0.941 0.000 1.968) 2.181 1.755 ( -6.558 0.000 9.227) 11.320 1.812 ( -3.255 0.000 4.951) 5.925 2.068 ( -2.407 0.000 4.380) 4.998 2.079 ( -0.777 0.000 3.613) 3.695 2.134 ( 4.492 0.000 3.331) 5.592 2.168 ( -2.747 0.000 5.135) 5.824 2.179 ( -0.501 0.000 1.668) 1.741 2.336 ( -3.066 0.000 4.105) 5.124 2.372 ( 0.220 0.000 2.391) 2.401 2.428 ( 0.583 0.000 2.463) 2.531 2.509 ( -2.080 0.000 2.115) 2.966 2.749 ( 1.530 0.000 -0.836) 1.744 2.753 ( -1.624 0.000 -2.159) 2.702 2.849 ( -2.645 0.000 2.513) 3.649 2.867 ( 1.284 0.000 -2.592) 2.892 2.924 ( 1.715 0.000 -0.974) 1.972 3.090 ( 0.471 0.000 -1.875) 1.933 3.267 ( -0.941 0.000 -3.180) 3.317 3.480 ( -0.996 0.000 -2.169) 2.387 3.498 ( 0.498 0.000 -0.545) 0.738 3.551 ( 0.167 0.000 -2.025) 2.032 3.585 ( -1.795 0.000 -6.898) 7.128 3.697 ( -2.057 0.000 -4.868) 5.285 3.743 ( 1.823 0.000 -0.186) 1.833 3.758 ( 2.220 0.000 3.016) 3.745 3.808 ( 2.353 0.000 -0.063) 2.353 3.897 ( 0.068 0.000 -2.105) 2.106 4.100 ( 0.398 0.000 -1.808) 1.852 4.140 ( 0.389 0.000 -0.805) 0.894 4.212 ( 0.039 0.000 1.797) 1.797 4.235 ( -0.538 0.000 0.771) 0.940 4.322 ( 0.597 0.000 -1.173) 1.317 4.370 ( 0.967 0.000 1.924) 2.153 4.444 ( 2.247 0.000 1.044) 2.477 4.483 ( 1.214 0.000 -0.984) 1.562 4.734 ( -0.084 0.000 0.055) 0.101 4.758 ( 0.588 0.000 0.170) 0.613 4.961 ( -2.562 0.000 0.444) 2.600 5.008 ( -1.639 0.000 0.711) 1.786 5.139 ( 0.419 0.000 0.396) 0.576 5.165 ( -0.267 0.000 1.937) 1.956 5.290 ( 0.386 0.000 -0.183) 0.428 5.345 ( -0.143 0.000 -0.477) 0.498 5.859 ( -0.193 0.000 2.330) 2.338 5.940 ( 0.803 0.000 0.330) 0.868 6.180 ( 0.160 0.000 -0.398) 0.429 6.216 ( 0.566 0.000 0.274) 0.629 7.004 ( -2.054 0.000 4.084) 4.571 7.053 ( -2.365 0.000 6.097) 6.539 7.354 ( 0.517 0.000 -0.927) 1.061 7.397 ( 0.511 0.000 -0.594) 0.783 8.098 ( -0.655 0.000 2.444) 2.531 8.288 ( 1.021 0.000 2.460) 2.664 8.456 ( 0.307 0.000 0.179) 0.355 8.491 ( 0.349 0.000 0.042) 0.352 9.103 ( -1.161 0.000 -0.473) 1.254 9.216 ( -0.302 0.000 -1.592) 1.621 9.284 ( -0.813 0.000 -0.163) 0.829 9.393 ( 0.784 0.000 -1.855) 2.013 ======================= Grid point 32 (16/74) ======================= q-point: (-0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -10.066 0.000 6.258) 11.853 0.702 ( -12.344 0.000 13.331) 18.169 0.912 ( -7.623 0.000 9.761) 12.384 1.125 ( 2.584 0.000 -5.612) 6.178 1.219 ( -9.399 0.000 -5.530) 10.905 1.245 ( -9.465 0.000 -2.052) 9.685 1.310 ( -6.316 0.000 -2.882) 6.942 1.317 ( -6.629 0.000 1.331) 6.762 1.386 ( -9.624 0.000 0.950) 9.671 1.499 ( 2.929 0.000 3.158) 4.307 1.616 ( -1.882 0.000 12.093) 12.239 1.640 ( 1.957 0.000 1.476) 2.451 1.704 ( -7.730 0.000 13.284) 15.369 1.720 ( -1.342 0.000 0.205) 1.358 1.774 ( -5.444 0.000 7.416) 9.200 1.990 ( -6.987 0.000 2.486) 7.416 2.095 ( -0.870 0.000 4.334) 4.420 2.183 ( -0.413 0.000 0.923) 1.011 2.206 ( 0.302 0.000 8.568) 8.573 2.254 ( 3.328 0.000 2.873) 4.397 2.373 ( 4.683 0.000 2.747) 5.429 2.403 ( 1.551 0.000 1.394) 2.085 2.461 ( -0.034 0.000 3.878) 3.879 2.511 ( 0.729 0.000 1.902) 2.037 2.690 ( -2.844 0.000 -3.278) 4.339 2.771 ( 1.178 0.000 -0.436) 1.256 2.834 ( -0.961 0.000 1.727) 1.976 2.870 ( 1.178 0.000 -3.814) 3.991 2.959 ( 2.805 0.000 -0.683) 2.887 3.098 ( 2.311 0.000 -2.794) 3.626 3.209 ( -3.037 0.000 -2.802) 4.132 3.400 ( -3.787 0.000 -3.160) 4.932 3.451 ( -3.071 0.000 -4.685) 5.601 3.492 ( -2.613 0.000 -4.610) 5.299 3.551 ( 1.254 0.000 -0.349) 1.302 3.667 ( 1.717 0.000 -3.485) 3.885 3.743 ( 0.567 0.000 -1.334) 1.449 3.832 ( 2.468 0.000 2.583) 3.572 3.878 ( 3.787 0.000 -0.421) 3.810 3.887 ( 1.224 0.000 -3.088) 3.322 4.097 ( 0.372 0.000 -0.120) 0.391 4.155 ( 1.104 0.000 1.772) 2.087 4.210 ( -1.179 0.000 0.790) 1.419 4.228 ( -0.459 0.000 0.102) 0.470 4.318 ( 0.128 0.000 -1.065) 1.072 4.402 ( 0.008 0.000 3.396) 3.396 4.481 ( 0.946 0.000 -0.227) 0.973 4.490 ( 0.727 0.000 -1.284) 1.475 4.763 ( 1.960 0.000 1.494) 2.465 4.802 ( 3.743 0.000 1.300) 3.963 4.895 ( -3.732 0.000 -0.179) 3.736 4.994 ( -0.938 0.000 -0.251) 0.970 5.117 ( -1.892 0.000 -0.689) 2.013 5.233 ( 4.704 0.000 2.138) 5.167 5.297 ( 0.357 0.000 0.149) 0.387 5.337 ( -0.218 0.000 -0.700) 0.733 5.880 ( 0.201 0.000 2.504) 2.512 5.980 ( 3.335 0.000 0.360) 3.355 6.182 ( 0.395 0.000 -0.292) 0.491 6.232 ( 0.778 0.000 0.280) 0.827 7.002 ( -1.858 0.000 4.493) 4.862 7.067 ( -1.857 0.000 7.263) 7.497 7.357 ( 0.565 0.000 -0.747) 0.936 7.404 ( 0.564 0.000 -0.254) 0.618 8.120 ( 0.969 0.000 2.925) 3.081 8.372 ( 5.318 0.000 3.687) 6.471 8.462 ( 0.118 0.000 0.372) 0.391 8.498 ( 0.196 0.000 0.384) 0.432 9.054 ( -3.455 0.000 -1.111) 3.629 9.170 ( -3.209 0.000 -1.922) 3.741 9.237 ( -3.712 0.000 -1.248) 3.917 9.378 ( -0.395 0.000 -2.605) 2.635 ======================= Grid point 33 (17/74) ======================= q-point: (-0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -10.554 0.000 7.607) 13.009 0.584 ( -13.407 0.000 15.982) 20.860 0.804 ( -14.514 0.000 0.839) 14.538 0.926 ( -16.841 0.000 2.094) 16.971 1.023 ( -12.846 0.000 -0.555) 12.858 1.038 ( -14.898 0.000 -3.797) 15.375 1.070 ( -4.782 0.000 -3.696) 6.044 1.240 ( -1.238 0.000 -1.187) 1.716 1.306 ( -3.548 0.000 0.513) 3.585 1.552 ( 0.311 0.000 1.448) 1.481 1.644 ( -2.509 0.000 6.665) 7.122 1.679 ( -1.733 0.000 9.351) 9.510 1.729 ( 1.217 0.000 2.628) 2.897 1.748 ( -1.244 0.000 11.895) 11.960 1.758 ( -3.671 0.000 9.974) 10.628 1.903 ( -4.065 0.000 1.802) 4.447 2.117 ( -0.400 0.000 3.582) 3.604 2.175 ( -1.206 0.000 0.533) 1.319 2.265 ( -1.741 0.000 7.782) 7.974 2.321 ( 2.190 0.000 3.491) 4.121 2.440 ( 2.388 0.000 -1.884) 3.042 2.466 ( 0.482 0.000 1.450) 1.528 2.500 ( 2.153 0.000 4.066) 4.601 2.564 ( 3.154 0.000 1.549) 3.513 2.607 ( -2.979 0.000 -2.922) 4.173 2.755 ( -1.980 0.000 -2.846) 3.467 2.837 ( -0.940 0.000 -5.184) 5.268 2.867 ( 3.342 0.000 3.531) 4.862 3.006 ( 2.915 0.000 -0.878) 3.045 3.111 ( 2.197 0.000 -5.594) 6.010 3.133 ( -2.331 0.000 -1.468) 2.755 3.341 ( -1.714 0.000 -2.116) 2.723 3.361 ( -2.955 0.000 -2.888) 4.132 3.402 ( -1.711 0.000 -5.776) 6.024 3.583 ( 1.455 0.000 0.627) 1.584 3.682 ( 1.895 0.000 -1.395) 2.353 3.760 ( 1.982 0.000 0.040) 1.983 3.865 ( 0.490 0.000 -0.801) 0.939 3.893 ( 2.339 0.000 -3.685) 4.365 3.919 ( 1.960 0.000 -2.123) 2.889 4.116 ( 0.480 0.000 2.488) 2.534 4.190 ( -1.414 0.000 0.352) 1.457 4.195 ( 0.320 0.000 1.665) 1.696 4.231 ( 1.036 0.000 1.195) 1.582 4.309 ( -0.598 0.000 -0.766) 0.971 4.449 ( 1.664 0.000 9.122) 9.272 4.478 ( 0.151 0.000 -1.756) 1.762 4.490 ( 0.639 0.000 -2.148) 2.241 4.806 ( 1.389 0.000 1.368) 1.949 4.835 ( -2.921 0.000 0.381) 2.946 4.896 ( 4.276 0.000 2.547) 4.978 4.966 ( -1.387 0.000 -1.705) 2.198 5.077 ( -1.862 0.000 -0.356) 1.896 5.304 ( 0.178 0.000 0.370) 0.411 5.326 ( -0.412 0.000 -0.750) 0.856 5.329 ( 4.333 0.000 -0.619) 4.377 5.901 ( -0.051 0.000 2.473) 2.473 6.059 ( 5.303 0.000 -0.647) 5.342 6.188 ( 0.593 0.000 -0.304) 0.667 6.245 ( 0.511 0.000 -0.006) 0.511 7.011 ( -1.618 0.000 5.799) 6.020 7.114 ( -0.142 0.000 10.933) 10.934 7.361 ( 0.364 0.000 -0.531) 0.644 7.411 ( 0.234 0.000 0.022) 0.235 8.176 ( 2.285 0.000 3.068) 3.825 8.469 ( 0.320 0.000 0.350) 0.474 8.501 ( -0.094 0.000 0.134) 0.164 8.525 ( 8.129 0.000 3.798) 8.972 8.973 ( -4.325 0.000 -0.854) 4.408 9.080 ( -5.021 0.000 -1.239) 5.171 9.137 ( -5.784 0.000 -2.396) 6.260 9.337 ( -1.188 0.000 -5.147) 5.282 ======================= Grid point 34 (18/74) ======================= q-point: (-0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( -7.990 0.000 12.115) 14.512 0.364 ( -22.409 0.000 -2.044) 22.502 0.531 ( -12.107 0.000 16.009) 20.071 0.622 ( -17.336 0.000 7.591) 18.925 0.824 ( -9.150 0.000 3.024) 9.636 0.923 ( -5.151 0.000 11.989) 13.049 0.955 ( -5.073 0.000 0.121) 5.075 1.208 ( -6.294 0.000 -2.939) 6.946 1.216 ( 0.331 0.000 -4.910) 4.921 1.556 ( -0.675 0.000 2.477) 2.567 1.664 ( -1.879 0.000 6.525) 6.791 1.696 ( -2.289 0.000 4.990) 5.490 1.751 ( -2.916 0.000 6.722) 7.327 1.803 ( -2.972 0.000 11.677) 12.049 1.817 ( -0.458 0.000 9.542) 9.553 1.882 ( -0.030 0.000 1.890) 1.890 2.128 ( -1.070 0.000 1.348) 1.721 2.149 ( -1.604 0.000 0.605) 1.714 2.260 ( -5.275 0.000 7.341) 9.040 2.369 ( 0.427 0.000 -1.280) 1.349 2.437 ( -0.066 0.000 -4.954) 4.955 2.456 ( -2.650 0.000 1.510) 3.050 2.539 ( -1.928 0.000 -1.272) 2.310 2.541 ( 0.041 0.000 3.629) 3.629 2.649 ( 4.062 0.000 1.021) 4.189 2.718 ( 1.079 0.000 -0.713) 1.293 2.765 ( -2.269 0.000 -3.486) 4.160 2.971 ( 3.150 0.000 2.798) 4.213 3.050 ( 2.578 0.000 0.520) 2.630 3.081 ( 0.079 0.000 -4.639) 4.639 3.138 ( 3.499 0.000 1.846) 3.956 3.235 ( -4.988 0.000 -5.536) 7.452 3.309 ( -1.413 0.000 -0.714) 1.583 3.393 ( 1.930 0.000 -0.726) 2.062 3.596 ( -0.181 0.000 -0.706) 0.729 3.700 ( 0.348 0.000 0.127) 0.371 3.800 ( 1.328 0.000 0.837) 1.569 3.848 ( -0.049 0.000 -3.219) 3.219 3.915 ( 3.673 0.000 -4.416) 5.744 3.924 ( 1.130 0.000 -2.846) 3.063 4.129 ( -1.353 0.000 1.254) 1.845 4.175 ( -0.856 0.000 1.915) 2.097 4.183 ( -0.793 0.000 -1.804) 1.971 4.258 ( -0.873 0.000 0.989) 1.319 4.294 ( 0.563 0.000 0.468) 0.733 4.466 ( 0.357 0.000 -2.436) 2.462 4.482 ( 0.693 0.000 -2.621) 2.711 4.684 ( 12.231 0.000 13.479) 18.201 4.805 ( -1.391 0.000 2.197) 2.600 4.833 ( 0.468 0.000 1.260) 1.344 4.917 ( -0.466 0.000 -1.789) 1.849 4.974 ( 1.933 0.000 2.283) 2.991 5.051 ( -1.023 0.000 0.407) 1.101 5.309 ( 0.064 0.000 0.254) 0.262 5.311 ( -0.490 0.000 -0.569) 0.751 5.344 ( -1.482 0.000 -2.569) 2.965 5.917 ( -0.570 0.000 2.717) 2.776 6.147 ( 5.622 0.000 -2.620) 6.202 6.196 ( 0.507 0.000 -0.465) 0.688 6.249 ( 0.158 0.000 -0.272) 0.315 7.034 ( -1.856 0.000 7.144) 7.381 7.298 ( 10.556 0.000 17.101) 20.097 7.362 ( 0.151 0.000 -0.420) 0.446 7.412 ( -0.126 0.000 0.028) 0.129 8.234 ( 1.257 0.000 2.195) 2.529 8.470 ( -0.510 0.000 -0.139) 0.529 8.500 ( 0.534 0.000 -1.252) 1.361 8.703 ( 7.855 0.000 2.367) 8.204 8.905 ( -2.266 0.000 0.460) 2.312 8.993 ( -3.757 0.000 0.660) 3.814 9.001 ( -6.553 0.000 -2.804) 7.128 9.203 ( -8.774 0.000 -12.504) 15.275 ======================= Grid point 35 (19/74) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 11.654 6.747 10.451) 17.046 0.482 ( 7.613 -2.488 7.773) 11.161 0.500 ( 1.798 10.659 10.287) 14.922 0.683 ( -1.823 -2.883 9.385) 9.986 0.759 ( -5.144 5.113 14.142) 15.893 0.879 ( 2.387 -5.242 4.212) 7.136 0.926 ( 0.164 3.063 8.143) 8.702 1.067 ( -3.763 -5.822 3.850) 7.930 1.327 ( 1.569 6.265 2.265) 6.844 1.487 ( 0.238 -8.272 3.321) 8.917 1.681 ( -2.872 1.318 4.469) 5.473 1.706 ( -2.438 -1.219 3.209) 4.210 1.725 ( -3.723 0.795 7.660) 8.554 1.739 ( -4.000 -2.179 8.909) 10.006 1.870 ( -4.431 1.310 8.027) 9.262 1.904 ( -1.864 -0.922 4.295) 4.772 2.045 ( -3.188 -1.628 2.688) 4.476 2.096 ( -1.148 -3.910 0.505) 4.107 2.303 ( -1.634 2.702 0.805) 3.259 2.323 ( -2.292 0.378 -2.309) 3.276 2.467 ( -3.128 6.388 -1.894) 7.361 2.503 ( 2.410 4.675 1.401) 5.443 2.541 ( 0.993 0.024 0.403) 1.072 2.584 ( 1.162 -2.147 3.119) 3.960 2.688 ( 1.590 -1.290 1.195) 2.370 2.706 ( 2.661 -2.891 -0.558) 3.969 2.796 ( 1.525 2.221 3.368) 4.313 2.889 ( -0.373 -6.309 1.275) 6.447 3.079 ( -1.682 2.437 -1.686) 3.408 3.114 ( -1.226 -0.727 -1.947) 2.413 3.205 ( 3.992 2.740 0.701) 4.893 3.252 ( 3.568 -1.489 0.975) 3.988 3.348 ( 3.546 3.139 0.960) 4.832 3.406 ( 2.746 -2.257 1.421) 3.828 3.601 ( -1.744 3.829 -1.667) 4.526 3.712 ( -1.432 -5.523 -1.386) 5.871 3.786 ( -0.500 5.437 -0.362) 5.472 3.861 ( 1.371 1.276 -3.879) 4.307 3.885 ( 0.810 -0.811 -3.177) 3.377 3.947 ( 2.627 -2.254 -4.009) 5.297 4.115 ( -1.219 0.959 -0.662) 1.687 4.134 ( -1.001 -1.057 -0.579) 1.567 4.194 ( -1.311 1.652 1.040) 2.351 4.232 ( -1.433 -1.075 0.817) 1.969 4.327 ( 0.282 0.837 1.796) 2.002 4.416 ( -6.142 -9.287 4.919) 12.173 4.466 ( 0.185 0.374 -2.255) 2.293 4.474 ( 0.521 -0.137 -2.911) 2.960 4.782 ( 1.303 -0.408 2.406) 2.766 4.797 ( 1.444 -1.892 3.055) 3.873 4.911 ( -0.155 -0.953 1.846) 2.084 4.945 ( -1.323 -3.515 1.803) 4.165 5.132 ( 0.884 4.529 0.754) 4.676 5.217 ( -0.080 -3.781 0.528) 3.818 5.481 ( -1.310 9.339 0.225) 9.433 5.622 ( 1.020 0.176 -6.357) 6.441 5.941 ( 0.287 6.757 -3.031) 7.411 6.101 ( 0.898 -6.582 -5.630) 8.708 6.217 ( 0.163 1.092 -0.941) 1.450 6.238 ( 0.048 -0.821 -0.594) 1.015 7.071 ( -4.037 2.635 8.129) 9.451 7.180 ( -7.487 -9.353 10.670) 16.043 7.377 ( -0.236 0.880 0.073) 0.914 7.398 ( -0.190 -0.902 -0.112) 0.929 8.445 ( 1.417 1.581 -2.915) 3.606 8.467 ( 0.171 -0.785 -1.565) 1.759 8.585 ( -7.338 11.501 -9.873) 16.841 8.715 ( -5.797 -2.736 -4.694) 7.945 8.922 ( 0.315 0.762 0.859) 1.191 8.941 ( 2.668 -0.901 0.928) 2.965 9.000 ( 3.930 2.092 1.525) 4.706 9.032 ( 5.998 -0.939 1.632) 6.286 ======================= Grid point 36 (20/74) ======================= q-point: ( 0.12 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 1.272 12.136 4.828) 13.123 0.730 ( 5.322 1.221 11.160) 12.424 0.757 ( 2.421 -0.923 9.317) 9.671 0.834 ( 18.226 -0.866 7.421) 19.698 0.864 ( 9.586 0.810 12.318) 15.630 0.986 ( 4.083 -8.136 2.540) 9.451 1.041 ( 5.548 1.657 6.986) 9.073 1.076 ( 0.193 -1.054 10.880) 10.933 1.373 ( 1.881 6.955 2.349) 7.578 1.539 ( 1.360 -6.799 3.769) 7.892 1.631 ( -6.487 1.117 5.508) 8.583 1.659 ( -6.033 -0.718 5.286) 8.054 1.718 ( -3.516 1.030 6.329) 7.313 1.752 ( -2.040 -3.810 6.396) 7.719 1.856 ( -3.546 2.302 7.622) 8.716 1.901 ( -1.737 -2.039 2.887) 3.938 2.001 ( -3.365 -1.089 2.560) 4.366 2.076 ( -1.611 -5.814 0.710) 6.075 2.254 ( -2.721 2.415 -1.866) 4.089 2.274 ( -2.062 0.931 0.655) 2.355 2.406 ( -1.957 6.266 -0.357) 6.574 2.509 ( -2.699 -0.310 1.587) 3.146 2.560 ( -0.664 1.499 -1.174) 2.017 2.644 ( 0.697 -2.396 2.866) 3.800 2.699 ( 0.002 2.169 0.791) 2.308 2.769 ( 4.420 -3.418 -1.201) 5.715 2.842 ( -0.068 1.001 2.716) 2.895 2.885 ( -1.400 -2.766 2.642) 4.073 3.036 ( -1.536 2.713 -1.592) 3.500 3.102 ( 0.224 -3.030 -0.430) 3.069 3.247 ( 1.633 2.688 0.055) 3.145 3.298 ( 2.015 -2.300 1.015) 3.222 3.448 ( 4.946 3.418 0.568) 6.039 3.491 ( 3.674 -0.770 0.633) 3.807 3.563 ( -0.007 4.015 -1.203) 4.192 3.683 ( 0.105 -6.128 -1.085) 6.224 3.772 ( -0.411 3.866 -0.830) 3.976 3.841 ( -0.164 0.969 -4.145) 4.260 3.864 ( -0.340 -0.107 -3.364) 3.383 3.949 ( 1.108 -3.135 -4.281) 5.421 4.103 ( 0.166 1.180 0.439) 1.270 4.127 ( 0.352 -1.077 0.346) 1.185 4.175 ( -1.191 1.212 0.123) 1.704 4.205 ( -2.084 -1.265 0.963) 2.621 4.336 ( -0.049 -0.103 -0.233) 0.260 4.354 ( -2.520 -1.993 1.685) 3.628 4.453 ( 0.642 0.515 -2.836) 2.954 4.460 ( 0.473 -0.095 -3.387) 3.421 4.831 ( 0.477 -0.034 2.087) 2.142 4.840 ( 0.677 -0.453 2.767) 2.884 4.910 ( -1.884 -1.377 1.447) 2.746 4.938 ( 0.024 -4.242 2.627) 4.990 5.150 ( 0.221 3.148 0.866) 3.273 5.216 ( -0.629 -3.335 0.439) 3.422 5.438 ( -2.812 7.538 -0.302) 8.052 5.537 ( -4.776 1.066 -3.745) 6.162 5.912 ( -1.372 4.095 -1.028) 4.439 6.034 ( -2.962 -5.747 -4.275) 7.751 6.208 ( -0.295 1.306 -0.799) 1.559 6.231 ( -0.277 -0.807 -0.745) 1.133 7.051 ( -4.488 1.665 6.986) 8.469 7.103 ( -7.615 -3.346 8.319) 11.764 7.372 ( -0.081 1.035 -0.492) 1.149 7.393 ( -0.085 -0.869 -0.480) 0.997 8.338 ( -7.982 9.595 -3.532) 12.972 8.448 ( -1.395 -1.341 -2.168) 2.906 8.469 ( 0.010 1.049 -0.866) 1.360 8.533 ( -7.616 -3.942 -2.761) 9.010 8.977 ( 3.413 1.185 2.640) 4.475 9.011 ( 4.022 -1.989 2.339) 5.060 9.128 ( 6.998 3.021 0.602) 7.646 9.191 ( 8.352 -2.786 -1.577) 8.945 ======================= Grid point 37 (21/74) ======================= q-point: ( 0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 1.821 10.232 4.255) 11.230 0.803 ( 0.227 -8.194 5.182) 9.698 0.874 ( -2.100 6.199 16.636) 17.877 1.035 ( -0.476 -5.139 7.589) 9.177 1.160 ( 10.076 -0.914 1.538) 10.234 1.166 ( 11.697 -1.054 3.820) 12.350 1.212 ( 7.822 0.201 5.372) 9.492 1.223 ( 6.225 -0.597 5.668) 8.440 1.467 ( 4.138 5.938 3.774) 8.162 1.515 ( -5.294 1.469 2.799) 6.165 1.607 ( -2.878 -0.805 7.127) 7.729 1.631 ( -0.485 -1.203 8.809) 8.904 1.694 ( -4.504 1.273 5.302) 7.073 1.754 ( -2.171 -4.291 4.770) 6.773 1.850 ( -2.878 2.714 3.892) 5.549 1.900 ( 0.067 -3.123 2.697) 4.127 1.989 ( -0.815 -1.296 4.372) 4.632 2.054 ( -2.034 -5.785 1.920) 6.426 2.207 ( -1.901 3.010 0.283) 3.571 2.248 ( -2.240 -0.573 2.518) 3.418 2.383 ( -1.497 3.806 1.400) 4.323 2.455 ( -4.394 -0.774 1.630) 4.750 2.509 ( -3.214 3.156 -0.477) 4.530 2.594 ( -5.224 -3.073 1.316) 6.202 2.753 ( 2.826 3.556 0.761) 4.605 2.805 ( -0.681 1.872 0.234) 2.006 2.843 ( 0.597 -3.069 -0.509) 3.168 2.878 ( -2.169 -3.066 2.562) 4.546 2.993 ( -1.684 3.084 -2.090) 4.089 3.082 ( -1.437 -4.950 -1.939) 5.507 3.315 ( 4.726 3.487 1.940) 6.185 3.349 ( 2.890 -0.769 0.759) 3.086 3.513 ( 2.573 2.429 -1.831) 3.984 3.535 ( 3.535 0.724 -0.331) 3.624 3.585 ( 1.262 4.253 0.406) 4.455 3.687 ( -0.039 -5.118 -1.592) 5.360 3.765 ( 0.453 0.180 -0.515) 0.709 3.793 ( -1.373 0.476 -3.686) 3.962 3.821 ( -1.415 1.247 -2.882) 3.444 3.924 ( -0.058 -3.800 -3.964) 5.491 4.116 ( 0.300 0.905 0.334) 1.010 4.139 ( 0.313 -1.038 -0.443) 1.171 4.168 ( 0.601 1.324 0.739) 1.631 4.193 ( 0.009 -0.957 1.816) 2.053 4.327 ( 0.019 0.470 -1.217) 1.305 4.342 ( -0.072 -0.883 -0.263) 0.924 4.438 ( 0.384 0.736 -3.057) 3.168 4.449 ( 1.247 -0.342 -2.705) 2.998 4.811 ( -2.668 0.623 0.715) 2.832 4.833 ( -3.347 -1.451 0.408) 3.671 4.923 ( 1.302 1.326 2.918) 3.459 4.973 ( 0.825 -3.685 2.787) 4.694 5.151 ( -0.794 1.459 0.843) 1.863 5.195 ( -2.293 -3.005 0.363) 3.797 5.393 ( -1.794 3.948 -0.357) 4.351 5.427 ( -4.328 2.340 -1.606) 5.176 5.882 ( -1.636 2.160 0.321) 2.728 5.956 ( -2.751 -3.933 -1.759) 5.111 6.197 ( -0.235 1.146 -0.577) 1.305 6.218 ( -0.468 -0.699 -0.735) 1.117 7.030 ( -3.378 1.021 5.712) 6.714 7.057 ( -4.340 -1.325 6.403) 7.848 7.367 ( 0.159 0.949 -0.777) 1.237 7.388 ( 0.120 -0.887 -0.740) 1.162 8.210 ( -4.929 6.532 -0.119) 8.184 8.344 ( -6.201 -5.551 -1.264) 8.418 8.461 ( -0.122 0.973 -0.563) 1.131 8.477 ( 0.235 -0.316 -0.668) 0.775 9.061 ( 3.421 1.468 1.900) 4.179 9.103 ( 3.957 -2.417 1.470) 4.864 9.240 ( 5.092 2.947 0.093) 5.884 9.298 ( 5.095 -2.366 -1.325) 5.772 ======================= Grid point 38 (22/74) ======================= q-point: ( 0.38 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 0.152 6.998 4.217) 8.171 0.836 ( -0.768 -8.828 3.870) 9.669 0.939 ( -4.945 7.484 14.827) 17.330 1.075 ( -1.396 -3.599 6.486) 7.548 1.283 ( 3.638 0.538 2.690) 4.556 1.309 ( 3.492 -0.632 1.757) 3.960 1.340 ( 2.683 -0.983 2.978) 4.127 1.353 ( 2.751 -1.294 1.810) 3.538 1.453 ( -1.801 2.498 2.843) 4.191 1.507 ( -1.808 -2.615 3.795) 4.951 1.633 ( -5.637 1.194 5.498) 7.964 1.643 ( -3.377 0.756 1.850) 3.924 1.734 ( 3.585 2.150 8.798) 9.741 1.783 ( 0.138 -1.995 4.900) 5.292 1.836 ( -0.357 5.001 2.032) 5.410 1.955 ( 3.000 -4.411 3.388) 6.319 2.018 ( -1.671 -2.878 4.317) 5.451 2.035 ( -1.489 -3.260 4.157) 5.489 2.190 ( -0.978 2.699 1.999) 3.498 2.228 ( -2.860 -0.254 3.594) 4.600 2.368 ( -1.780 1.026 2.287) 3.074 2.389 ( -4.811 -0.587 2.831) 5.613 2.464 ( -1.567 3.430 0.720) 3.839 2.524 ( -3.532 -2.185 1.728) 4.499 2.773 ( -0.759 2.620 -0.195) 2.735 2.788 ( -0.225 2.295 -0.326) 2.329 2.846 ( -0.505 -3.143 -1.218) 3.409 2.854 ( -1.601 -2.641 1.538) 3.450 2.954 ( -0.457 3.098 -1.833) 3.629 3.041 ( -0.869 -4.868 -1.991) 5.331 3.387 ( 1.909 5.214 -1.516) 5.756 3.423 ( 4.551 1.375 0.190) 4.758 3.548 ( 2.288 1.502 -1.235) 3.003 3.580 ( 1.242 2.483 -1.166) 3.011 3.616 ( 2.098 -2.101 1.288) 3.237 3.635 ( -2.420 -3.679 -4.648) 6.403 3.749 ( -0.486 -0.055 -2.115) 2.171 3.763 ( -0.687 0.258 -0.554) 0.919 3.786 ( -0.287 1.429 -1.263) 1.929 3.892 ( -0.329 -4.147 -2.848) 5.042 4.116 ( 0.463 0.672 -1.624) 1.817 4.133 ( 0.403 -0.939 -1.920) 2.175 4.200 ( 0.908 1.343 2.309) 2.821 4.221 ( 0.435 -0.572 2.530) 2.630 4.323 ( 0.623 0.722 -1.107) 1.461 4.341 ( 0.441 -0.912 -0.720) 1.243 4.433 ( 1.304 1.577 -1.192) 2.368 4.459 ( 1.667 -0.739 -1.370) 2.281 4.765 ( -2.538 0.231 0.175) 2.555 4.773 ( -2.558 -0.312 -0.371) 2.603 4.961 ( 0.383 0.787 2.118) 2.292 4.995 ( -0.914 -2.752 1.933) 3.485 5.138 ( -1.391 -0.184 0.221) 1.420 5.149 ( -2.379 -1.563 1.428) 3.184 5.362 ( -0.963 3.355 -0.766) 3.573 5.378 ( -0.749 1.533 -0.434) 1.760 5.863 ( -1.033 1.344 1.248) 2.105 5.912 ( -1.295 -2.813 -0.040) 3.097 6.191 ( 0.006 0.848 -0.382) 0.930 6.207 ( -0.150 -0.535 -0.359) 0.661 7.020 ( -2.547 0.895 4.821) 5.526 7.041 ( -2.873 -1.014 5.600) 6.375 7.365 ( 0.304 0.931 -0.899) 1.330 7.386 ( 0.288 -0.904 -0.809) 1.247 8.152 ( -2.280 4.535 1.518) 5.298 8.253 ( -3.384 -4.432 0.718) 5.622 8.461 ( 0.384 1.050 -0.222) 1.140 8.480 ( 0.403 -0.567 -0.253) 0.740 9.117 ( 1.565 1.678 0.632) 2.380 9.164 ( 1.988 -2.664 0.215) 3.330 9.308 ( 2.606 2.613 -0.390) 3.711 9.357 ( 2.652 -1.860 -1.263) 3.477 ======================= Grid point 39 (23/74) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -4.127 6.078 3.744) 8.245 0.830 ( -3.184 -9.530 3.554) 10.658 0.929 ( -7.728 9.600 11.916) 17.143 1.083 ( -2.148 -4.088 3.599) 5.855 1.335 ( -0.695 1.119 0.367) 1.367 1.346 ( -1.893 0.587 2.451) 3.152 1.361 ( -1.093 -0.994 0.372) 1.524 1.392 ( -1.153 -3.274 4.500) 5.683 1.432 ( -1.737 2.884 1.518) 3.693 1.497 ( -2.341 -3.215 0.921) 4.083 1.584 ( -3.802 0.884 6.087) 7.231 1.599 ( -2.467 -0.637 2.944) 3.894 1.786 ( -5.232 2.013 4.755) 7.351 1.805 ( -1.568 2.034 5.342) 5.927 1.840 ( -2.412 4.752 2.888) 6.061 1.999 ( -1.389 -7.443 2.668) 8.027 2.035 ( 0.071 -2.844 5.069) 5.813 2.048 ( -2.412 -2.353 4.871) 5.923 2.207 ( 0.341 2.757 3.902) 4.790 2.218 ( 0.021 1.034 2.530) 2.733 2.340 ( -2.496 0.625 3.205) 4.110 2.365 ( -0.668 -0.951 2.479) 2.738 2.467 ( 0.460 2.265 2.263) 3.234 2.499 ( -0.984 -0.938 2.113) 2.513 2.765 ( -0.982 1.570 -2.216) 2.888 2.772 ( 0.660 1.743 0.011) 1.864 2.824 ( -1.184 -1.938 0.303) 2.291 2.836 ( -0.474 -2.531 -1.348) 2.906 2.956 ( 1.694 2.720 -0.922) 3.334 3.027 ( 0.902 -4.050 -1.539) 4.425 3.369 ( -1.063 7.126 -4.179) 8.329 3.478 ( 0.456 3.850 -0.052) 3.877 3.509 ( -2.159 -5.787 -5.297) 8.137 3.555 ( -1.332 0.408 -3.143) 3.438 3.593 ( -1.440 1.522 -2.710) 3.425 3.639 ( 0.839 -6.383 -0.809) 6.489 3.749 ( 1.546 5.325 -2.581) 6.116 3.772 ( 2.072 1.053 2.179) 3.186 3.798 ( 2.245 -0.660 1.105) 2.588 3.874 ( 0.928 -3.874 -2.424) 4.663 4.109 ( 0.402 0.700 -1.866) 2.033 4.127 ( 0.486 -0.974 -1.383) 1.760 4.222 ( -0.429 0.771 1.766) 1.975 4.234 ( -0.718 -0.278 1.359) 1.562 4.328 ( 0.677 0.657 -1.103) 1.451 4.351 ( 0.770 -1.398 0.262) 1.617 4.467 ( 2.043 1.447 1.029) 2.707 4.484 ( 1.478 -0.163 -0.132) 1.493 4.738 ( -0.067 0.488 0.162) 0.519 4.751 ( 0.297 -0.592 0.162) 0.682 4.962 ( -2.461 -0.097 0.470) 2.508 4.972 ( -1.552 -1.634 0.811) 2.395 5.123 ( -0.378 -0.244 0.777) 0.898 5.141 ( -0.229 -1.607 1.448) 2.175 5.355 ( 0.714 3.211 -0.419) 3.316 5.371 ( 0.237 1.323 -0.368) 1.393 5.866 ( -0.010 1.102 1.847) 2.151 5.909 ( 0.531 -2.501 0.788) 2.675 6.191 ( 0.279 0.937 -0.248) 1.009 6.209 ( 0.489 -0.659 0.094) 0.826 7.015 ( -2.157 1.019 4.581) 5.165 7.039 ( -2.312 -1.151 5.579) 6.147 7.365 ( 0.509 0.968 -0.829) 1.372 7.387 ( 0.507 -0.941 -0.666) 1.260 8.146 ( -0.137 4.226 2.418) 4.871 8.241 ( 0.678 -4.114 2.400) 4.811 8.468 ( 0.341 0.972 0.187) 1.047 8.486 ( 0.374 -0.564 0.138) 0.691 9.122 ( -1.090 1.818 -0.516) 2.182 9.173 ( -0.808 -2.846 -0.826) 3.072 9.325 ( -0.140 2.644 -1.052) 2.850 9.373 ( 0.509 -1.830 -1.648) 2.514 ======================= Grid point 40 (24/74) ======================= q-point: (-0.38 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -6.874 7.833 4.092) 11.196 0.784 ( -5.385 -9.353 4.958) 11.877 0.862 ( -9.260 10.571 10.308) 17.429 1.052 ( -3.532 -6.201 0.234) 7.141 1.220 ( -9.199 0.695 -3.536) 9.880 1.245 ( -10.106 -1.100 -2.933) 10.580 1.294 ( -6.969 0.523 -0.340) 6.997 1.329 ( -7.946 -2.020 1.197) 8.286 1.433 ( -3.427 4.452 1.531) 5.823 1.493 ( 1.653 -0.944 2.447) 3.100 1.599 ( -1.703 -0.740 7.693) 7.914 1.617 ( 1.208 -2.242 4.791) 5.425 1.688 ( -7.393 2.596 6.230) 10.010 1.758 ( -7.124 -2.664 7.022) 10.351 1.832 ( -2.011 7.213 4.520) 8.746 1.981 ( -5.457 -3.646 4.021) 7.697 2.023 ( -1.305 -2.683 5.377) 6.150 2.075 ( 0.010 -4.711 3.340) 5.775 2.255 ( 0.980 1.659 4.614) 5.000 2.268 ( 2.087 0.158 2.479) 3.245 2.361 ( 1.714 0.499 2.251) 2.873 2.392 ( 1.679 -1.553 3.157) 3.898 2.504 ( 1.371 2.197 2.249) 3.430 2.521 ( 1.222 0.329 2.256) 2.587 2.719 ( -1.591 3.146 -3.578) 5.023 2.787 ( 0.718 0.207 -0.478) 0.887 2.815 ( 0.460 -3.053 -1.935) 3.644 2.821 ( -0.162 -1.344 0.749) 1.547 2.987 ( 2.321 2.172 -1.137) 3.376 3.042 ( 2.113 -3.148 -2.266) 4.417 3.299 ( -3.008 5.278 -3.455) 6.989 3.375 ( -5.229 -1.838 -2.849) 6.232 3.486 ( -1.336 1.268 -5.681) 5.972 3.502 ( -2.529 0.131 -5.087) 5.682 3.543 ( 1.532 2.290 -0.767) 2.860 3.649 ( 1.091 -6.795 -0.354) 6.891 3.755 ( 1.170 6.298 -1.165) 6.511 3.843 ( 2.106 -0.495 1.164) 2.456 3.846 ( 2.872 -0.190 -0.258) 2.889 3.894 ( 3.177 -1.994 -2.384) 4.444 4.108 ( 0.482 0.988 0.149) 1.110 4.135 ( 0.755 -1.499 1.031) 1.970 4.218 ( -0.972 0.536 1.090) 1.555 4.226 ( -0.746 -0.216 0.656) 1.017 4.327 ( 0.091 0.972 -0.945) 1.358 4.364 ( 0.039 -2.528 0.953) 2.702 4.495 ( 0.505 0.896 -0.346) 1.086 4.505 ( 0.738 0.417 0.263) 0.888 4.768 ( 2.118 0.519 1.581) 2.694 4.785 ( 2.539 -1.087 1.177) 3.002 4.904 ( -3.318 0.726 -0.375) 3.418 4.942 ( -2.275 -2.918 -0.342) 3.716 5.119 ( -0.303 1.228 0.021) 1.265 5.169 ( 1.640 -3.216 1.287) 3.833 5.381 ( 1.247 2.655 -0.060) 2.934 5.385 ( 2.850 3.134 0.235) 4.242 5.889 ( 0.768 1.457 1.802) 2.442 5.943 ( 2.572 -3.061 0.692) 4.058 6.197 ( 0.547 1.261 -0.179) 1.386 6.222 ( 0.735 -0.923 0.102) 1.185 7.016 ( -1.935 1.285 5.107) 5.610 7.048 ( -1.958 -1.552 6.452) 6.919 7.369 ( 0.549 1.038 -0.602) 1.319 7.393 ( 0.549 -1.019 -0.360) 1.212 8.189 ( 2.587 5.747 3.079) 7.014 8.311 ( 4.482 -5.196 3.295) 7.613 8.477 ( 0.317 1.154 0.580) 1.330 8.496 ( 0.418 -0.486 0.636) 0.903 9.073 ( -3.523 1.808 -1.161) 4.126 9.124 ( -3.547 -2.924 -1.404) 4.806 9.287 ( -2.719 3.308 -1.877) 4.675 9.350 ( -1.223 -2.505 -2.390) 3.672 ======================= Grid point 41 (25/74) ======================= q-point: (-0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -6.867 10.838 6.263) 14.278 0.724 ( -7.322 -5.119 7.729) 11.813 0.765 ( -10.980 7.275 6.941) 14.889 0.876 ( -14.377 -2.411 -5.498) 15.580 0.967 ( -17.420 -0.644 -3.154) 17.715 1.032 ( -7.459 -3.586 -2.598) 8.674 1.085 ( -12.075 3.532 -0.488) 12.591 1.190 ( -7.899 -4.800 3.303) 9.816 1.388 ( -3.128 4.814 1.042) 5.835 1.491 ( -2.431 -5.048 1.468) 5.792 1.640 ( -0.064 1.422 6.710) 6.859 1.678 ( 0.107 -0.684 4.020) 4.079 1.689 ( -1.242 -0.784 9.824) 9.933 1.720 ( -4.124 -2.888 8.979) 10.294 1.842 ( -2.097 5.379 7.663) 9.595 1.919 ( -4.068 0.031 3.791) 5.561 2.047 ( -1.345 -3.184 5.652) 6.626 2.101 ( 0.247 -4.907 2.220) 5.392 2.300 ( 0.148 1.750 3.655) 4.055 2.321 ( 1.664 -0.304 2.314) 2.867 2.410 ( 2.231 1.442 1.360) 2.985 2.472 ( 3.618 -2.984 3.411) 5.799 2.541 ( 0.785 2.172 1.270) 2.636 2.558 ( 1.186 -0.236 0.501) 1.309 2.654 ( -1.969 4.559 -3.840) 6.277 2.756 ( -1.520 -3.330 -4.449) 5.761 2.808 ( -0.890 1.093 -0.729) 1.587 2.855 ( 2.046 -1.652 2.258) 3.466 3.019 ( 2.658 1.389 -1.113) 3.199 3.058 ( 2.123 -2.263 -2.541) 4.011 3.218 ( -2.600 4.314 -3.370) 6.060 3.287 ( -2.734 -2.699 -2.152) 4.404 3.406 ( -3.000 1.293 -4.425) 5.500 3.414 ( -1.254 0.534 -5.266) 5.440 3.585 ( 2.311 2.270 0.789) 3.334 3.679 ( 2.236 -5.535 0.509) 5.992 3.773 ( 1.336 6.223 -0.290) 6.372 3.868 ( 1.915 -2.325 -1.894) 3.558 3.882 ( 1.405 1.592 -1.956) 2.887 3.922 ( 2.197 -1.315 -3.213) 4.108 4.128 ( 0.316 1.173 2.476) 2.758 4.161 ( 0.102 -1.795 2.005) 2.693 4.212 ( -0.721 0.882 0.952) 1.485 4.226 ( 0.346 -0.456 1.152) 1.287 4.316 ( -0.681 1.089 -0.358) 1.334 4.374 ( -0.247 -4.375 3.299) 5.485 4.490 ( -0.003 1.043 -1.467) 1.800 4.509 ( -0.015 -0.234 -0.303) 0.383 4.810 ( -0.099 0.409 0.777) 0.883 4.820 ( -1.429 -0.856 0.754) 1.828 4.873 ( 1.626 -1.179 1.623) 2.582 4.894 ( -1.978 -3.188 -0.544) 3.791 5.115 ( 0.015 3.743 -0.336) 3.758 5.201 ( 0.946 -4.402 0.496) 4.529 5.416 ( 2.361 5.574 0.791) 6.105 5.466 ( 5.963 2.888 -0.374) 6.636 5.917 ( 1.162 2.836 0.851) 3.181 6.008 ( 4.468 -4.414 -0.627) 6.312 6.207 ( 0.655 1.409 -0.286) 1.580 6.234 ( 0.578 -1.034 -0.163) 1.196 7.030 ( -1.672 1.737 6.592) 7.019 7.078 ( -1.272 -2.681 8.887) 9.369 7.374 ( 0.325 1.106 -0.330) 1.199 7.399 ( 0.257 -1.091 -0.070) 1.123 8.289 ( 5.900 8.257 2.684) 10.498 8.434 ( 5.382 -5.212 1.497) 7.640 8.491 ( 0.656 1.696 1.119) 2.136 8.525 ( 3.146 -1.015 2.309) 4.032 8.988 ( -4.535 1.530 -0.957) 4.881 9.033 ( -4.963 -2.702 -1.180) 5.773 9.200 ( -4.967 4.314 -2.853) 7.171 9.290 ( -2.930 -3.960 -4.184) 6.464 ======================= Grid point 42 (26/74) ======================= q-point: (-0.12 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -19.751 5.718 -2.710) 20.740 0.453 ( -4.619 12.399 9.675) 16.392 0.540 ( -15.478 -3.376 -1.239) 15.891 0.699 ( -8.095 -4.840 8.544) 12.726 0.771 ( -7.706 5.321 12.454) 15.582 0.888 ( -5.494 -2.205 0.100) 5.921 0.932 ( -6.269 2.593 3.096) 7.457 1.113 ( -4.220 -7.587 2.986) 9.181 1.330 ( -3.427 6.321 0.732) 7.227 1.475 ( -1.080 -7.025 2.525) 7.543 1.676 ( -1.102 1.208 4.761) 5.034 1.703 ( -0.713 -2.335 3.692) 4.426 1.722 ( -2.730 0.609 8.101) 8.570 1.737 ( -3.305 -1.608 9.632) 10.310 1.868 ( -3.014 2.125 9.256) 9.964 1.901 ( -1.791 0.503 4.118) 4.519 2.060 ( -1.874 -2.159 4.562) 5.384 2.110 ( -0.826 -3.896 1.125) 4.139 2.316 ( -0.979 2.910 2.198) 3.776 2.351 ( 0.134 -0.907 0.289) 0.961 2.457 ( 1.821 3.817 -0.100) 4.230 2.532 ( -0.720 -0.077 -1.256) 1.449 2.548 ( -0.931 1.532 1.537) 2.362 2.556 ( -0.783 0.820 1.546) 1.917 2.633 ( 2.891 0.716 -0.954) 3.128 2.697 ( -0.595 -3.387 -2.769) 4.415 2.774 ( -1.323 3.215 0.292) 3.489 2.887 ( -0.014 -6.314 0.260) 6.320 3.080 ( 3.800 2.356 1.163) 4.619 3.106 ( 3.344 0.379 -0.359) 3.385 3.165 ( 0.690 2.329 -1.592) 2.904 3.213 ( -2.595 -1.883 -4.598) 5.606 3.340 ( -1.318 2.216 -1.087) 2.798 3.382 ( 0.274 -1.424 -1.050) 1.790 3.620 ( 0.652 3.287 0.103) 3.353 3.721 ( 1.337 -5.166 0.186) 5.340 3.790 ( 0.416 5.890 -0.061) 5.905 3.869 ( 0.760 0.678 -3.382) 3.532 3.889 ( 1.578 -0.716 -2.960) 3.430 3.931 ( 2.400 -1.603 -3.989) 4.923 4.139 ( -0.966 0.830 0.809) 1.508 4.159 ( -1.216 -1.020 0.418) 1.641 4.204 ( -0.611 1.671 0.472) 1.840 4.243 ( -0.566 -1.525 1.445) 2.175 4.308 ( -0.168 1.916 1.506) 2.443 4.420 ( 0.066 -9.231 6.515) 11.299 4.477 ( 0.274 0.867 -2.239) 2.417 4.502 ( -1.192 -2.886 0.503) 3.163 4.769 ( -1.859 -0.047 0.156) 1.866 4.791 ( -2.116 -1.515 0.473) 2.645 4.893 ( 0.577 -0.132 1.425) 1.543 4.928 ( 1.354 -3.045 2.534) 4.187 5.116 ( 0.352 5.117 0.011) 5.129 5.213 ( 0.174 -4.298 0.415) 4.322 5.468 ( 1.966 8.414 1.159) 8.718 5.577 ( 7.497 2.222 -3.711) 8.655 5.941 ( 1.583 5.602 -1.477) 6.006 6.080 ( 4.826 -5.670 -3.341) 8.161 6.215 ( 0.617 1.264 -0.516) 1.498 6.239 ( 0.300 -0.944 -0.434) 1.081 7.058 ( -2.019 2.456 8.216) 8.810 7.149 ( -0.694 -7.006 12.380) 14.242 7.376 ( 0.155 1.091 0.001) 1.102 7.400 ( -0.037 -1.044 0.052) 1.046 8.411 ( 5.205 5.569 -1.650) 7.800 8.474 ( 0.417 -1.778 -1.048) 2.106 8.557 ( 7.529 7.714 0.971) 10.823 8.675 ( 8.696 -3.092 2.133) 9.473 8.916 ( -2.414 1.041 0.228) 2.639 8.948 ( -3.409 -1.983 -0.209) 3.949 9.066 ( -6.791 3.897 -3.113) 8.426 9.151 ( -8.363 -4.003 -7.375) 11.847 ======================= Grid point 51 (27/74) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 10.746 0.000 13.516) 17.268 0.596 ( -4.280 0.000 16.409) 16.958 0.690 ( 9.155 0.000 9.046) 12.871 0.874 ( -2.539 0.000 5.063) 5.664 1.042 ( 1.151 0.000 8.384) 8.463 1.149 ( -4.968 0.000 22.642) 23.181 1.176 ( -0.863 0.000 4.335) 4.420 1.227 ( -2.404 0.000 4.650) 5.235 1.286 ( -0.721 0.000 15.627) 15.643 1.588 ( 0.978 0.000 -0.911) 1.337 1.741 ( -2.138 0.000 2.709) 3.452 1.754 ( -2.762 0.000 2.035) 3.431 1.879 ( -3.136 0.000 2.843) 4.233 1.992 ( -0.334 0.000 5.871) 5.880 2.002 ( -5.176 0.000 7.722) 9.296 2.117 ( -7.134 0.000 10.053) 12.327 2.150 ( -3.707 0.000 7.314) 8.200 2.217 ( -4.485 0.000 6.488) 7.887 2.263 ( -4.335 0.000 5.157) 6.737 2.353 ( -4.352 0.000 -1.067) 4.481 2.383 ( -3.229 0.000 7.029) 7.735 2.440 ( 2.336 0.000 0.111) 2.339 2.578 ( 1.526 0.000 3.317) 3.652 2.688 ( -2.050 0.000 3.520) 4.074 2.741 ( 2.362 0.000 -0.137) 2.366 2.791 ( 1.574 0.000 4.752) 5.006 2.817 ( 2.581 0.000 1.458) 2.965 2.996 ( -2.759 0.000 1.671) 3.225 3.014 ( -1.584 0.000 -0.706) 1.734 3.114 ( 1.877 0.000 1.009) 2.131 3.158 ( 2.204 0.000 -1.132) 2.478 3.294 ( 3.294 0.000 0.488) 3.330 3.309 ( 4.301 0.000 1.298) 4.493 3.453 ( 3.143 0.000 0.342) 3.162 3.526 ( -2.587 0.000 -2.469) 3.577 3.690 ( 1.158 0.000 -1.617) 1.989 3.704 ( -0.448 0.000 -5.429) 5.448 3.782 ( -0.821 0.000 -3.315) 3.415 3.858 ( 0.712 0.000 -2.047) 2.167 3.884 ( 2.279 0.000 -1.962) 3.007 4.077 ( 0.426 0.000 -1.950) 1.996 4.115 ( 0.635 0.000 -1.916) 2.018 4.204 ( -1.535 0.000 0.242) 1.554 4.230 ( -0.663 0.000 -0.443) 0.798 4.332 ( -0.172 0.000 -0.878) 0.895 4.372 ( 1.604 0.000 -5.129) 5.374 4.392 ( 1.073 0.000 -4.874) 4.991 4.556 ( -9.619 0.000 -4.528) 10.631 4.854 ( 1.861 0.000 3.135) 3.646 4.874 ( -1.039 0.000 1.596) 1.904 5.014 ( -2.752 0.000 0.699) 2.840 5.021 ( 4.146 0.000 -1.845) 4.538 5.079 ( 1.838 0.000 0.639) 1.945 5.278 ( 0.021 0.000 -1.292) 1.292 5.330 ( 0.504 0.000 0.767) 0.918 5.426 ( 0.325 0.000 2.675) 2.694 5.969 ( -2.708 0.000 3.011) 4.050 6.070 ( 0.194 0.000 -4.488) 4.492 6.177 ( 0.313 0.000 -1.283) 1.321 6.231 ( 0.114 0.000 -1.196) 1.201 7.199 ( -3.763 0.000 7.308) 8.220 7.353 ( -0.248 0.000 -0.043) 0.251 7.404 ( -0.663 0.000 -0.012) 0.663 7.437 ( -7.968 0.000 0.180) 7.970 8.265 ( -2.884 0.000 1.509) 3.254 8.424 ( 0.826 0.000 -1.245) 1.493 8.447 ( -0.271 0.000 -1.572) 1.595 8.661 ( -5.323 0.000 -4.208) 6.785 8.965 ( 0.885 0.000 3.162) 3.283 9.000 ( 5.172 0.000 2.826) 5.894 9.019 ( 1.088 0.000 2.695) 2.906 9.091 ( 3.785 0.000 2.627) 4.607 ======================= Grid point 52 (28/74) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -2.504 0.000 17.275) 17.455 0.902 ( 1.718 0.000 3.129) 3.570 0.923 ( 13.754 0.000 9.381) 16.649 0.974 ( 13.187 0.000 6.458) 14.683 1.169 ( 5.574 0.000 6.921) 8.887 1.203 ( -4.899 0.000 11.638) 12.627 1.228 ( 1.861 0.000 5.521) 5.827 1.242 ( -2.496 0.000 13.623) 13.850 1.424 ( 1.871 0.000 14.397) 14.518 1.576 ( -1.572 0.000 -2.038) 2.573 1.712 ( -3.038 0.000 1.349) 3.324 1.738 ( -0.749 0.000 3.121) 3.210 1.834 ( -3.490 0.000 1.790) 3.922 1.951 ( -7.539 0.000 9.065) 11.790 2.003 ( -3.113 0.000 4.352) 5.351 2.036 ( -6.565 0.000 3.965) 7.670 2.177 ( -0.294 0.000 8.210) 8.216 2.190 ( -4.108 0.000 6.171) 7.413 2.259 ( -4.906 0.000 11.742) 12.725 2.308 ( -0.016 0.000 0.357) 0.358 2.404 ( -1.811 0.000 8.754) 8.939 2.440 ( -2.285 0.000 0.174) 2.292 2.633 ( -5.359 0.000 1.335) 5.522 2.655 ( 4.034 0.000 2.194) 4.592 2.776 ( -1.280 0.000 1.306) 1.828 2.805 ( -1.421 0.000 2.334) 2.732 2.829 ( -1.527 0.000 -0.047) 1.528 2.984 ( -1.419 0.000 2.716) 3.064 2.989 ( -0.937 0.000 0.182) 0.955 3.145 ( -0.391 0.000 -3.405) 3.427 3.192 ( 4.262 0.000 3.383) 5.442 3.340 ( -0.130 0.000 -1.522) 1.527 3.386 ( 4.583 0.000 0.103) 4.585 3.477 ( 0.654 0.000 -2.180) 2.276 3.496 ( 2.039 0.000 -0.650) 2.140 3.674 ( 1.335 0.000 -5.189) 5.358 3.719 ( -2.479 0.000 -4.308) 4.970 3.726 ( 3.341 0.000 0.256) 3.351 3.852 ( 0.435 0.000 -2.730) 2.765 3.888 ( 0.746 0.000 -3.130) 3.218 4.103 ( 2.827 0.000 0.290) 2.842 4.126 ( 1.501 0.000 -1.313) 1.994 4.164 ( -2.588 0.000 -0.683) 2.676 4.220 ( -0.128 0.000 -0.181) 0.221 4.306 ( -0.846 0.000 -2.425) 2.568 4.367 ( 1.806 0.000 -5.011) 5.327 4.372 ( 1.606 0.000 -4.243) 4.537 4.398 ( -4.603 0.000 -1.903) 4.981 4.854 ( -2.185 0.000 0.705) 2.296 4.917 ( 1.969 0.000 3.497) 4.013 4.944 ( -4.976 0.000 -0.267) 4.984 5.052 ( 0.803 0.000 0.994) 1.279 5.121 ( 2.060 0.000 -0.483) 2.116 5.270 ( 0.298 0.000 -1.319) 1.352 5.344 ( 0.305 0.000 0.792) 0.849 5.409 ( -3.838 0.000 0.734) 3.907 5.941 ( -2.912 0.000 3.084) 4.242 6.020 ( -2.008 0.000 -2.776) 3.426 6.172 ( 0.228 0.000 -1.129) 1.152 6.221 ( -0.178 0.000 -1.139) 1.153 7.179 ( -4.727 0.000 7.227) 8.635 7.292 ( -8.817 0.000 5.109) 10.191 7.348 ( -0.243 0.000 -0.230) 0.334 7.393 ( -0.454 0.000 -0.230) 0.509 8.216 ( -3.771 0.000 2.027) 4.282 8.430 ( 0.287 0.000 -1.069) 1.106 8.446 ( 1.364 0.000 -0.575) 1.480 8.521 ( -6.696 0.000 -2.479) 7.140 9.022 ( 2.404 0.000 2.647) 3.576 9.078 ( 3.280 0.000 1.213) 3.497 9.120 ( 5.602 0.000 1.987) 5.944 9.201 ( 6.063 0.000 0.054) 6.064 ======================= Grid point 53 (29/74) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -1.969 0.000 15.736) 15.859 0.970 ( 3.005 0.000 2.122) 3.678 1.113 ( 0.038 0.000 6.765) 6.765 1.218 ( -4.090 0.000 13.292) 13.907 1.234 ( 9.264 0.000 4.754) 10.413 1.292 ( 3.145 0.000 2.392) 3.952 1.329 ( 1.289 0.000 10.222) 10.303 1.339 ( 5.544 0.000 4.688) 7.260 1.511 ( -3.512 0.000 -0.349) 3.530 1.564 ( 2.627 0.000 9.345) 9.707 1.670 ( -2.379 0.000 -0.290) 2.396 1.736 ( -2.512 0.000 1.458) 2.904 1.817 ( 0.718 0.000 1.295) 1.481 1.897 ( -6.636 0.000 11.506) 13.283 1.951 ( -4.712 0.000 5.128) 6.964 2.004 ( -1.123 0.000 3.472) 3.649 2.162 ( -3.801 0.000 4.601) 5.968 2.246 ( -0.932 0.000 10.089) 10.132 2.248 ( -6.228 0.000 11.434) 13.020 2.354 ( 3.149 0.000 2.290) 3.893 2.405 ( -1.597 0.000 2.429) 2.907 2.432 ( -4.197 0.000 9.600) 10.477 2.551 ( -4.974 0.000 2.639) 5.631 2.695 ( -5.639 0.000 5.036) 7.560 2.739 ( 1.291 0.000 -0.282) 1.321 2.779 ( -3.208 0.000 -0.707) 3.285 2.810 ( 1.030 0.000 -3.188) 3.351 2.963 ( -2.730 0.000 1.174) 2.972 2.964 ( -2.577 0.000 1.513) 2.988 3.106 ( -0.986 0.000 -2.855) 3.021 3.259 ( 0.329 0.000 -1.842) 1.872 3.354 ( 4.420 0.000 0.844) 4.500 3.419 ( 2.286 0.000 -3.058) 3.818 3.519 ( 0.767 0.000 -0.625) 0.989 3.553 ( 6.064 0.000 1.063) 6.156 3.635 ( -2.364 0.000 -5.254) 5.762 3.672 ( 2.099 0.000 -2.587) 3.332 3.769 ( 1.080 0.000 -1.858) 2.150 3.827 ( -0.828 0.000 -2.587) 2.716 3.877 ( 0.863 0.000 -2.905) 3.030 4.110 ( -1.822 0.000 -2.007) 2.710 4.127 ( 0.137 0.000 -2.093) 2.097 4.165 ( 2.646 0.000 1.934) 3.278 4.225 ( 0.711 0.000 -0.649) 0.962 4.288 ( 0.754 0.000 -1.070) 1.309 4.344 ( -0.531 0.000 -1.458) 1.552 4.362 ( 1.923 0.000 -2.782) 3.382 4.390 ( 3.161 0.000 -3.338) 4.598 4.811 ( -2.702 0.000 -0.131) 2.705 4.844 ( -5.377 0.000 -0.506) 5.401 4.973 ( 1.095 0.000 3.219) 3.400 5.075 ( 0.395 0.000 1.445) 1.498 5.139 ( 0.538 0.000 -0.569) 0.783 5.268 ( 0.596 0.000 -1.316) 1.445 5.316 ( -6.569 0.000 1.047) 6.652 5.350 ( -0.156 0.000 0.321) 0.357 5.918 ( -2.400 0.000 3.263) 4.051 5.970 ( -1.845 0.000 -0.553) 1.926 6.168 ( 0.340 0.000 -1.043) 1.097 6.209 ( -0.122 0.000 -0.770) 0.780 7.150 ( -4.694 0.000 6.809) 8.270 7.216 ( -5.372 0.000 6.987) 8.813 7.341 ( -0.166 0.000 -0.486) 0.513 7.385 ( -0.161 0.000 -0.346) 0.382 8.175 ( -2.892 0.000 3.237) 4.341 8.395 ( -5.562 0.000 -0.600) 5.595 8.432 ( 0.713 0.000 -0.515) 0.880 8.467 ( 1.088 0.000 -0.024) 1.088 9.080 ( 2.023 0.000 1.352) 2.433 9.141 ( 3.255 0.000 -0.618) 3.313 9.222 ( 4.107 0.000 1.167) 4.269 9.290 ( 4.438 0.000 -1.622) 4.725 ======================= Grid point 54 (30/74) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -4.570 0.000 11.828) 12.680 1.025 ( 1.314 0.000 1.504) 1.997 1.106 ( -5.959 0.000 7.504) 9.582 1.231 ( -5.825 0.000 12.348) 13.653 1.350 ( 2.049 0.000 0.393) 2.087 1.359 ( 0.563 0.000 4.595) 4.630 1.415 ( -0.278 0.000 6.963) 6.969 1.429 ( 1.239 0.000 0.866) 1.511 1.484 ( -0.296 0.000 2.582) 2.599 1.624 ( -1.649 0.000 -0.945) 1.900 1.628 ( -2.317 0.000 2.664) 3.531 1.708 ( -0.397 0.000 2.557) 2.588 1.811 ( -2.432 0.000 0.896) 2.592 1.928 ( -1.574 0.000 10.541) 10.658 1.944 ( -2.704 0.000 9.371) 9.753 2.047 ( 3.185 0.000 2.656) 4.147 2.141 ( -1.881 0.000 4.278) 4.673 2.236 ( -4.630 0.000 10.288) 11.282 2.292 ( -3.182 0.000 10.396) 10.872 2.391 ( -7.636 0.000 8.746) 11.610 2.423 ( -0.531 0.000 5.004) 5.032 2.433 ( 2.073 0.000 4.666) 5.106 2.495 ( -4.998 0.000 4.438) 6.683 2.625 ( -5.634 0.000 5.079) 7.586 2.730 ( -0.868 0.000 -0.800) 1.180 2.749 ( -0.224 0.000 -1.469) 1.486 2.791 ( 1.177 0.000 -5.467) 5.592 2.919 ( -2.407 0.000 0.518) 2.462 2.926 ( -2.601 0.000 1.030) 2.797 3.074 ( -0.683 0.000 -1.260) 1.433 3.228 ( -0.052 0.000 -4.327) 4.327 3.440 ( 2.678 0.000 -0.381) 2.705 3.451 ( 3.434 0.000 -2.071) 4.010 3.516 ( 0.397 0.000 -1.156) 1.222 3.534 ( -2.581 0.000 -6.095) 6.619 3.683 ( 5.625 0.000 1.608) 5.850 3.691 ( -0.938 0.000 -2.485) 2.656 3.736 ( 0.707 0.000 -3.002) 3.084 3.786 ( -1.419 0.000 -2.230) 2.643 3.871 ( 0.362 0.000 -1.277) 1.328 4.074 ( -0.199 0.000 -2.131) 2.140 4.117 ( 0.910 0.000 -1.519) 1.771 4.216 ( 1.205 0.000 1.225) 1.719 4.224 ( 0.550 0.000 -2.270) 2.335 4.294 ( 0.399 0.000 -1.453) 1.507 4.358 ( 2.324 0.000 0.567) 2.392 4.398 ( 3.225 0.000 -0.524) 3.267 4.423 ( 2.851 0.000 -2.620) 3.873 4.761 ( -2.672 0.000 -0.058) 2.673 4.770 ( -1.820 0.000 0.137) 1.825 5.001 ( -0.580 0.000 2.255) 2.329 5.066 ( -2.417 0.000 -0.076) 2.418 5.143 ( 0.200 0.000 0.773) 0.798 5.225 ( -4.043 0.000 1.822) 4.435 5.271 ( 0.886 0.000 -1.155) 1.456 5.344 ( -0.459 0.000 -0.353) 0.579 5.910 ( -1.454 0.000 3.446) 3.740 5.947 ( -0.844 0.000 0.664) 1.074 6.166 ( 0.376 0.000 -1.078) 1.142 6.208 ( 0.421 0.000 -0.301) 0.517 7.125 ( -3.822 0.000 6.391) 7.446 7.195 ( -3.660 0.000 7.540) 8.381 7.335 ( 0.108 0.000 -0.671) 0.679 7.382 ( 0.202 0.000 -0.330) 0.387 8.162 ( -1.938 0.000 3.940) 4.391 8.328 ( -2.064 0.000 1.719) 2.686 8.446 ( 0.985 0.000 0.032) 0.986 8.483 ( 0.618 0.000 0.242) 0.664 9.108 ( 0.331 0.000 0.187) 0.380 9.179 ( 1.851 0.000 -1.798) 2.580 9.278 ( 1.480 0.000 0.073) 1.481 9.334 ( 2.455 0.000 -2.762) 3.696 ======================= Grid point 55 (31/74) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -9.109 0.000 9.545) 13.194 1.038 ( -8.402 0.000 8.689) 12.086 1.049 ( 0.823 0.000 0.267) 0.865 1.211 ( -6.960 0.000 11.550) 13.485 1.327 ( -6.561 0.000 0.437) 6.575 1.343 ( -3.174 0.000 -1.068) 3.348 1.414 ( -5.159 0.000 4.737) 7.004 1.431 ( -2.504 0.000 1.538) 2.939 1.498 ( 0.494 0.000 1.771) 1.839 1.560 ( -6.044 0.000 1.931) 6.345 1.626 ( 2.109 0.000 1.071) 2.366 1.747 ( 0.534 0.000 4.260) 4.293 1.759 ( -3.049 0.000 -0.234) 3.058 1.958 ( -4.103 0.000 10.334) 11.119 1.972 ( -4.317 0.000 11.473) 12.258 2.135 ( 2.304 0.000 1.627) 2.821 2.170 ( 0.666 0.000 4.662) 4.709 2.229 ( -3.782 0.000 8.644) 9.435 2.289 ( -5.944 0.000 9.613) 11.302 2.352 ( -3.768 0.000 9.946) 10.636 2.445 ( -3.627 0.000 6.084) 7.083 2.445 ( -1.603 0.000 4.829) 5.088 2.507 ( 1.276 0.000 5.468) 5.615 2.584 ( -3.342 0.000 5.159) 6.146 2.702 ( -2.760 0.000 -2.585) 3.782 2.737 ( 1.644 0.000 -0.313) 1.674 2.782 ( 2.258 0.000 -5.094) 5.572 2.893 ( -2.119 0.000 1.399) 2.539 2.904 ( 0.998 0.000 -0.935) 1.367 3.058 ( -0.235 0.000 -0.874) 0.905 3.197 ( 0.138 0.000 -3.561) 3.563 3.412 ( -3.057 0.000 -4.162) 5.164 3.444 ( -2.314 0.000 -4.767) 5.299 3.501 ( -2.675 0.000 -3.128) 4.116 3.502 ( 3.112 0.000 -0.182) 3.118 3.608 ( -0.943 0.000 -3.120) 3.259 3.741 ( -1.196 0.000 -0.180) 1.210 3.769 ( 3.056 0.000 -3.989) 5.025 3.787 ( 4.627 0.000 -1.452) 4.850 3.879 ( 0.327 0.000 2.468) 2.489 4.072 ( 1.468 0.000 -1.135) 1.856 4.144 ( 2.411 0.000 0.872) 2.564 4.212 ( 0.296 0.000 -2.727) 2.743 4.224 ( -0.538 0.000 -0.344) 0.638 4.290 ( 0.916 0.000 -1.629) 1.869 4.411 ( 2.427 0.000 1.224) 2.718 4.437 ( 1.740 0.000 -3.008) 3.474 4.443 ( 1.745 0.000 -2.501) 3.050 4.760 ( 1.420 0.000 2.765) 3.108 4.769 ( 1.374 0.000 1.063) 1.737 4.968 ( -4.032 0.000 0.029) 4.032 5.024 ( -1.854 0.000 0.578) 1.942 5.143 ( -1.323 0.000 0.253) 1.347 5.211 ( 0.855 0.000 2.207) 2.366 5.281 ( 1.083 0.000 -0.803) 1.348 5.331 ( -0.360 0.000 -0.879) 0.950 5.921 ( -0.523 0.000 3.587) 3.625 5.951 ( 0.644 0.000 0.842) 1.060 6.166 ( 0.526 0.000 -1.047) 1.171 6.217 ( 0.817 0.000 -0.342) 0.886 7.115 ( -2.888 0.000 6.342) 6.969 7.201 ( -2.486 0.000 7.861) 8.244 7.336 ( 0.551 0.000 -0.641) 0.845 7.389 ( 0.668 0.000 -0.064) 0.671 8.166 ( -1.026 0.000 4.164) 4.288 8.353 ( 2.218 0.000 3.778) 4.381 8.460 ( 0.402 0.000 0.029) 0.403 8.497 ( 0.589 0.000 0.740) 0.946 9.093 ( -1.877 0.000 -0.408) 1.921 9.176 ( -0.382 0.000 -2.103) 2.137 9.272 ( -1.697 0.000 -1.222) 2.091 9.335 ( 0.648 0.000 -3.834) 3.889 ======================= Grid point 56 (32/74) ======================= q-point: (-0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -10.826 0.000 9.618) 14.481 0.955 ( -9.370 0.000 10.131) 13.800 1.053 ( -0.399 0.000 -0.891) 0.976 1.095 ( -14.830 0.000 1.615) 14.917 1.196 ( -7.085 0.000 2.690) 7.578 1.227 ( -8.866 0.000 0.361) 8.873 1.292 ( -12.635 0.000 6.940) 14.415 1.357 ( -6.517 0.000 2.659) 7.038 1.455 ( -7.866 0.000 4.457) 9.041 1.546 ( 2.334 0.000 1.653) 2.860 1.688 ( 2.365 0.000 2.430) 3.390 1.724 ( -0.089 0.000 0.291) 0.305 1.799 ( 1.189 0.000 4.359) 4.518 1.964 ( -4.405 0.000 11.391) 12.213 1.968 ( -5.384 0.000 9.611) 11.016 2.098 ( -6.876 0.000 8.844) 11.203 2.208 ( -0.724 0.000 2.987) 3.073 2.257 ( -5.377 0.000 10.476) 11.775 2.294 ( 2.987 0.000 2.965) 4.209 2.386 ( -1.492 0.000 7.765) 7.907 2.441 ( -2.144 0.000 2.869) 3.582 2.481 ( 1.614 0.000 6.864) 7.052 2.566 ( -0.234 0.000 6.466) 6.470 2.587 ( -0.979 0.000 4.614) 4.716 2.626 ( -3.281 0.000 -2.088) 3.890 2.759 ( -0.079 0.000 -0.533) 0.539 2.779 ( 1.214 0.000 -3.967) 4.148 2.878 ( -0.342 0.000 2.080) 2.108 2.928 ( 2.753 0.000 -2.217) 3.535 3.051 ( 0.308 0.000 -1.046) 1.090 3.162 ( -2.411 0.000 -2.031) 3.153 3.315 ( -0.962 0.000 -4.752) 4.848 3.376 ( -2.250 0.000 -2.153) 3.114 3.398 ( -4.621 0.000 -4.001) 6.113 3.555 ( 2.403 0.000 0.221) 2.413 3.612 ( 2.404 0.000 -2.118) 3.204 3.733 ( 0.858 0.000 0.279) 0.903 3.772 ( 2.412 0.000 -5.597) 6.094 3.842 ( 3.076 0.000 -2.357) 3.875 3.902 ( -0.843 0.000 2.206) 2.361 4.110 ( 2.615 0.000 1.054) 2.819 4.190 ( 0.080 0.000 -2.247) 2.249 4.200 ( -0.974 0.000 -1.475) 1.768 4.215 ( 3.100 0.000 2.205) 3.804 4.301 ( 0.888 0.000 -0.750) 1.162 4.431 ( 1.275 0.000 -4.526) 4.702 4.434 ( 0.570 0.000 -4.173) 4.212 4.470 ( 3.369 0.000 2.445) 4.163 4.804 ( 1.494 0.000 2.194) 2.654 4.855 ( 4.508 0.000 3.928) 5.980 4.894 ( -3.529 0.000 -0.264) 3.539 4.986 ( -2.494 0.000 -1.084) 2.719 5.110 ( -2.055 0.000 0.098) 2.057 5.270 ( 3.215 0.000 1.603) 3.593 5.295 ( 0.991 0.000 -0.405) 1.070 5.319 ( -0.177 0.000 -1.126) 1.139 5.944 ( -0.264 0.000 3.735) 3.745 5.983 ( 2.432 0.000 0.135) 2.436 6.168 ( 0.721 0.000 -1.104) 1.319 6.228 ( 0.853 0.000 -0.717) 1.114 7.124 ( -1.891 0.000 6.769) 7.028 7.237 ( -0.518 0.000 8.438) 8.454 7.344 ( 0.721 0.000 -0.404) 0.827 7.403 ( 0.727 0.000 0.328) 0.798 8.197 ( 0.570 0.000 4.441) 4.478 8.454 ( 5.237 0.000 4.066) 6.630 8.462 ( 0.149 0.000 -0.485) 0.508 8.510 ( -0.069 0.000 0.834) 0.837 9.040 ( -3.594 0.000 -0.143) 3.597 9.134 ( -2.641 0.000 -1.343) 2.963 9.200 ( -4.533 0.000 -2.437) 5.146 9.295 ( -1.185 0.000 -5.165) 5.299 ======================= Grid point 57 (33/74) ======================= q-point: (-0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -8.696 0.000 12.510) 15.235 0.739 ( -19.568 0.000 1.114) 19.600 0.863 ( -15.074 0.000 2.921) 15.354 1.016 ( -3.455 0.000 -0.173) 3.459 1.030 ( -9.272 0.000 9.354) 13.171 1.065 ( -9.721 0.000 4.153) 10.571 1.215 ( -7.718 0.000 16.307) 18.041 1.266 ( -6.050 0.000 3.280) 6.882 1.348 ( -8.251 0.000 4.132) 9.227 1.578 ( 0.127 0.000 0.699) 0.711 1.741 ( 0.808 0.000 3.918) 4.001 1.745 ( 0.718 0.000 1.963) 2.090 1.854 ( 1.023 0.000 3.999) 4.128 1.934 ( -4.090 0.000 5.623) 6.953 1.988 ( -2.797 0.000 10.538) 10.903 2.096 ( -4.811 0.000 14.688) 15.456 2.194 ( -2.861 0.000 3.487) 4.510 2.259 ( -4.505 0.000 9.945) 10.918 2.345 ( 0.946 0.000 0.539) 1.089 2.407 ( -2.286 0.000 5.771) 6.207 2.418 ( -1.758 0.000 0.285) 1.781 2.556 ( -0.962 0.000 5.348) 5.434 2.562 ( -2.186 0.000 -0.444) 2.231 2.603 ( -0.779 0.000 6.012) 6.062 2.621 ( 1.077 0.000 3.679) 3.833 2.702 ( -2.655 0.000 -1.929) 3.282 2.760 ( -0.703 0.000 -1.962) 2.084 2.944 ( 4.346 0.000 3.655) 5.679 2.967 ( 3.844 0.000 -2.427) 4.546 3.055 ( 0.572 0.000 0.487) 0.751 3.109 ( -0.282 0.000 -1.013) 1.052 3.272 ( -5.776 0.000 -3.750) 6.886 3.327 ( -1.891 0.000 -1.045) 2.161 3.328 ( 3.764 0.000 -1.653) 4.111 3.583 ( 0.892 0.000 -0.492) 1.019 3.645 ( 3.164 0.000 -2.503) 4.035 3.772 ( 2.434 0.000 0.347) 2.459 3.784 ( 3.303 0.000 -4.512) 5.592 3.862 ( 1.486 0.000 -2.535) 2.938 3.874 ( -2.905 0.000 0.009) 2.905 4.148 ( -0.419 0.000 -0.809) 0.911 4.165 ( -0.299 0.000 -2.941) 2.956 4.187 ( 1.205 0.000 0.432) 1.280 4.279 ( 0.760 0.000 1.396) 1.590 4.297 ( -0.128 0.000 0.379) 0.400 4.407 ( 0.897 0.000 -5.114) 5.192 4.419 ( 1.360 0.000 -4.582) 4.780 4.609 ( 9.118 0.000 4.879) 10.341 4.843 ( 0.832 0.000 2.241) 2.390 4.849 ( -1.308 0.000 0.536) 1.414 4.911 ( -3.690 0.000 -4.167) 5.566 4.961 ( 3.472 0.000 3.560) 4.973 5.080 ( -1.536 0.000 0.553) 1.632 5.305 ( -0.083 0.000 -1.302) 1.305 5.308 ( 0.431 0.000 -0.020) 0.431 5.333 ( 2.228 0.000 1.502) 2.687 5.968 ( -0.441 0.000 3.815) 3.840 6.033 ( 3.438 0.000 -1.425) 3.721 6.174 ( 0.867 0.000 -1.207) 1.486 6.235 ( 0.654 0.000 -1.036) 1.225 7.155 ( -1.095 0.000 7.409) 7.490 7.328 ( 3.539 0.000 8.381) 9.097 7.353 ( 0.433 0.000 -0.118) 0.449 7.415 ( 0.128 0.000 0.486) 0.502 8.248 ( 1.093 0.000 3.835) 3.987 8.459 ( 0.235 0.000 -1.491) 1.510 8.502 ( -1.228 0.000 -0.121) 1.234 8.594 ( 7.070 0.000 2.649) 7.550 8.974 ( -3.806 0.000 1.041) 3.945 9.071 ( -3.647 0.000 0.530) 3.685 9.080 ( -6.118 0.000 -2.849) 6.749 9.205 ( -4.089 0.000 -6.133) 7.371 ======================= Grid point 58 (34/74) ======================= q-point: (-0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -11.468 0.000 10.820) 15.766 0.561 ( -6.011 0.000 15.270) 16.410 0.621 ( -9.333 0.000 4.444) 10.337 0.919 ( -7.132 0.000 5.150) 8.797 1.003 ( -2.975 0.000 5.961) 6.662 1.051 ( -4.010 0.000 20.060) 20.457 1.196 ( -4.186 0.000 2.734) 4.999 1.228 ( -5.586 0.000 15.928) 16.879 1.245 ( -6.098 0.000 5.778) 8.400 1.579 ( 0.151 0.000 0.025) 0.153 1.758 ( -1.463 0.000 2.402) 2.812 1.769 ( -1.170 0.000 3.349) 3.547 1.890 ( -0.852 0.000 3.810) 3.904 1.942 ( -0.435 0.000 6.376) 6.391 2.013 ( -2.868 0.000 7.465) 7.997 2.124 ( -5.563 0.000 14.982) 15.981 2.172 ( -4.001 0.000 6.231) 7.405 2.244 ( -4.981 0.000 8.127) 9.532 2.325 ( -2.953 0.000 -0.799) 3.059 2.397 ( -3.418 0.000 5.001) 6.058 2.401 ( 0.549 0.000 0.212) 0.589 2.473 ( -7.697 0.000 0.163) 7.699 2.544 ( -0.454 0.000 2.336) 2.380 2.653 ( 0.599 0.000 6.431) 6.459 2.694 ( 3.416 0.000 3.615) 4.973 2.734 ( -0.213 0.000 -0.682) 0.715 2.734 ( 4.138 0.000 1.813) 4.518 3.017 ( 0.332 0.000 1.959) 1.987 3.022 ( 2.856 0.000 -1.813) 3.383 3.086 ( 2.326 0.000 2.679) 3.548 3.139 ( -2.888 0.000 -3.219) 4.325 3.186 ( 5.244 0.000 2.428) 5.779 3.290 ( -1.205 0.000 -1.079) 1.617 3.390 ( 3.558 0.000 -0.025) 3.558 3.577 ( -1.038 0.000 -1.177) 1.569 3.677 ( 2.538 0.000 -2.806) 3.784 3.775 ( -2.064 0.000 -3.978) 4.481 3.799 ( 1.277 0.000 -2.477) 2.787 3.848 ( 2.246 0.000 -1.327) 2.608 3.863 ( 0.491 0.000 -1.433) 1.515 4.109 ( -1.369 0.000 -2.655) 2.987 4.134 ( -0.484 0.000 -2.727) 2.770 4.212 ( 0.141 0.000 1.026) 1.035 4.254 ( -1.569 0.000 -0.535) 1.657 4.325 ( 0.734 0.000 1.181) 1.390 4.387 ( 1.353 0.000 -5.117) 5.293 4.407 ( 1.379 0.000 -4.653) 4.853 4.766 ( -7.724 0.000 -5.751) 9.629 4.793 ( 4.163 0.000 2.627) 4.922 4.868 ( -0.025 0.000 2.111) 2.111 4.903 ( 8.336 0.000 -1.192) 8.421 5.023 ( 0.571 0.000 2.257) 2.328 5.065 ( -0.720 0.000 1.066) 1.287 5.290 ( -0.257 0.000 -1.327) 1.351 5.317 ( 0.402 0.000 0.341) 0.527 5.380 ( 1.118 0.000 3.738) 3.901 5.982 ( -1.425 0.000 3.412) 3.697 6.073 ( 2.932 0.000 -3.550) 4.604 6.178 ( 0.700 0.000 -1.294) 1.471 6.236 ( 0.394 0.000 -1.161) 1.226 7.191 ( -1.848 0.000 7.518) 7.741 7.356 ( -0.015 0.000 0.018) 0.023 7.414 ( -0.504 0.000 0.296) 0.584 7.467 ( 4.484 0.000 2.504) 5.136 8.281 ( -0.474 0.000 2.392) 2.439 8.441 ( -0.541 0.000 -2.444) 2.503 8.471 ( -1.165 0.000 -1.306) 1.750 8.715 ( 3.903 0.000 -1.587) 4.213 8.935 ( -1.332 0.000 2.347) 2.699 8.967 ( -3.735 0.000 0.248) 3.743 9.023 ( -3.013 0.000 2.062) 3.651 9.078 ( -4.363 0.000 -0.900) 4.455 ======================= Grid point 59 (35/74) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 7.524 3.041 10.811) 13.518 0.657 ( 9.342 -3.471 8.934) 13.384 0.728 ( 0.396 7.253 12.966) 14.862 0.846 ( -3.038 -2.423 7.898) 8.802 0.984 ( -1.234 -5.330 8.605) 10.197 0.993 ( 1.727 -5.486 8.222) 10.034 1.238 ( -4.969 5.464 17.366) 18.871 1.302 ( -2.939 -0.169 15.444) 15.722 1.384 ( -0.200 8.207 3.754) 9.027 1.547 ( 1.096 -5.078 2.332) 5.694 1.751 ( -2.239 -0.231 1.431) 2.668 1.760 ( -1.468 -1.275 1.544) 2.483 1.854 ( -2.546 2.723 4.041) 5.498 1.930 ( -3.896 -3.972 7.709) 9.507 2.023 ( -3.834 1.519 7.036) 8.156 2.077 ( -7.498 -2.845 10.053) 12.860 2.124 ( -5.422 -0.538 6.713) 8.646 2.165 ( -4.393 -3.230 6.974) 8.853 2.328 ( -3.793 1.648 3.759) 5.589 2.356 ( -3.081 -1.090 4.396) 5.478 2.449 ( -2.428 7.811 0.506) 8.196 2.511 ( 2.166 3.580 -0.993) 4.300 2.586 ( -1.222 0.613 4.733) 4.926 2.657 ( 1.062 -4.360 3.559) 5.728 2.690 ( 1.214 -1.300 -0.386) 1.819 2.733 ( 1.831 -3.433 3.147) 5.004 2.859 ( 2.370 2.471 2.526) 4.255 2.926 ( 0.181 -3.985 1.972) 4.450 3.058 ( -2.152 2.067 -0.091) 2.985 3.093 ( -0.113 -1.286 -0.127) 1.297 3.213 ( 2.403 3.393 0.295) 4.168 3.266 ( 2.631 -1.676 0.635) 3.183 3.365 ( 4.615 3.366 0.521) 5.736 3.427 ( 3.652 -2.402 0.221) 4.377 3.562 ( -2.055 4.224 -1.992) 5.103 3.671 ( -1.408 -4.366 -3.290) 5.645 3.763 ( -0.160 4.127 -2.103) 4.635 3.785 ( 0.599 2.144 -3.119) 3.832 3.816 ( 1.234 -2.051 -3.062) 3.886 3.871 ( 1.214 -2.484 -2.866) 3.982 4.085 ( 0.723 0.797 -2.085) 2.347 4.108 ( 0.623 -1.020 -2.004) 2.334 4.210 ( -1.827 1.335 -0.028) 2.263 4.235 ( -0.878 -0.304 -0.496) 1.054 4.337 ( -0.966 1.327 -1.175) 2.019 4.377 ( 0.999 -0.277 -4.872) 4.981 4.394 ( 0.869 0.390 -4.571) 4.669 4.454 ( -5.014 -6.777 -1.717) 8.603 4.840 ( 1.884 -0.134 3.055) 3.592 4.861 ( 1.308 -1.733 3.069) 3.759 4.950 ( -0.062 -0.675 1.798) 1.921 4.982 ( -1.779 -2.911 1.579) 3.759 5.139 ( 1.118 4.222 0.019) 4.367 5.223 ( 0.111 -3.712 -0.128) 3.716 5.466 ( -0.746 7.346 -2.243) 7.717 5.516 ( 0.707 3.647 -3.116) 4.849 5.950 ( -1.888 -0.049 2.385) 3.042 6.010 ( -0.200 -4.575 -2.467) 5.201 6.196 ( 0.272 1.359 -1.295) 1.896 6.221 ( 0.186 -0.932 -1.205) 1.534 7.230 ( -4.139 2.975 6.913) 8.590 7.320 ( -4.340 -4.979 3.863) 7.652 7.384 ( -1.863 -0.294 0.786) 2.043 7.397 ( -0.860 -0.794 0.194) 1.186 8.375 ( -0.857 5.029 -2.606) 5.729 8.430 ( 0.160 -1.535 -1.838) 2.400 8.477 ( -2.830 6.410 -2.506) 7.442 8.614 ( -5.230 -4.748 -4.621) 8.441 8.967 ( 1.482 0.313 3.056) 3.411 8.981 ( 2.909 -0.986 2.800) 4.157 9.047 ( 2.902 1.749 2.664) 4.311 9.078 ( 3.544 -1.179 2.598) 4.550 ======================= Grid point 60 (36/74) ======================= q-point: ( 0.12 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -1.137 4.354 11.967) 12.785 0.834 ( 0.492 -6.003 5.887) 8.422 0.964 ( 12.945 2.754 8.753) 15.867 0.980 ( 11.943 0.537 6.965) 13.836 1.073 ( 3.124 -2.592 7.863) 8.849 1.125 ( 5.191 -4.901 8.285) 10.936 1.293 ( -3.330 3.982 15.176) 16.040 1.335 ( -3.803 1.423 10.662) 11.410 1.464 ( 2.422 5.185 7.234) 9.224 1.569 ( -0.363 -2.153 -0.260) 2.199 1.710 ( -2.889 0.710 0.913) 3.112 1.750 ( -1.010 -2.578 2.841) 3.967 1.832 ( -3.273 3.179 3.749) 5.906 1.914 ( -4.780 -3.697 7.854) 9.910 1.992 ( -4.914 -0.534 5.626) 7.489 2.008 ( -6.987 -1.934 6.253) 9.574 2.102 ( -3.667 -0.468 9.416) 10.116 2.145 ( -3.766 -3.376 6.728) 8.417 2.308 ( -3.062 1.910 6.604) 7.525 2.354 ( -2.124 -2.105 6.717) 7.353 2.432 ( -1.287 7.349 3.309) 8.162 2.528 ( 0.266 2.946 -1.622) 3.373 2.571 ( -4.463 -1.106 4.495) 6.430 2.686 ( -1.740 -6.292 0.300) 6.535 2.715 ( 2.206 2.676 2.055) 4.031 2.772 ( 0.935 -1.341 1.538) 2.245 2.883 ( -1.901 2.207 1.431) 3.245 2.935 ( -0.572 -2.734 1.336) 3.096 3.016 ( -2.643 1.749 0.377) 3.192 3.077 ( -1.177 -3.815 -1.717) 4.346 3.266 ( 3.588 3.653 1.866) 5.450 3.313 ( 2.072 -1.328 0.447) 2.501 3.436 ( 2.893 2.488 -2.001) 4.309 3.468 ( 1.731 -0.497 -2.193) 2.838 3.549 ( 2.315 4.501 -0.264) 5.068 3.651 ( 1.579 -3.777 -2.329) 4.710 3.738 ( -0.403 1.749 -3.034) 3.525 3.760 ( -0.185 3.679 -2.794) 4.623 3.805 ( -0.153 -2.785 -2.336) 3.638 3.860 ( 0.567 -3.139 -3.773) 4.941 4.103 ( 1.879 0.339 -0.696) 2.033 4.119 ( 1.327 -0.997 -1.449) 2.203 4.173 ( -1.239 1.796 -0.513) 2.241 4.214 ( -0.718 -1.329 -0.111) 1.515 4.308 ( -0.432 0.595 -2.340) 2.453 4.342 ( -0.828 -2.416 -2.782) 3.777 4.377 ( 1.453 0.760 -4.368) 4.666 4.391 ( -0.093 -0.485 -3.186) 3.225 4.864 ( -1.813 0.958 1.252) 2.402 4.895 ( -1.320 -1.862 2.045) 3.065 4.945 ( -0.444 0.893 2.099) 2.324 4.991 ( 1.062 -3.595 2.406) 4.454 5.155 ( 0.631 2.903 -0.192) 2.977 5.220 ( -0.332 -3.217 -0.144) 3.238 5.425 ( -1.985 5.152 -1.134) 5.636 5.469 ( -2.989 1.950 -2.653) 4.447 5.932 ( -2.155 0.254 2.454) 3.276 5.977 ( -1.690 -3.286 -1.013) 3.832 6.189 ( 0.085 1.277 -1.185) 1.744 6.212 ( -0.090 -0.840 -1.169) 1.443 7.199 ( -5.146 1.834 7.006) 8.884 7.251 ( -6.736 -2.945 6.076) 9.537 7.363 ( -0.687 1.094 -0.144) 1.300 7.384 ( -0.563 -0.818 -0.197) 1.012 8.300 ( -4.735 6.447 -0.331) 8.006 8.408 ( -1.925 -3.089 -1.457) 3.920 8.452 ( 0.416 1.153 -0.746) 1.435 8.491 ( -4.035 -2.370 -1.694) 4.977 9.031 ( 2.714 0.868 2.517) 3.802 9.056 ( 3.254 -1.468 1.978) 4.081 9.147 ( 5.485 1.893 1.160) 5.918 9.184 ( 5.825 -1.502 0.386) 6.028 ======================= Grid point 61 (37/74) ======================= q-point: ( 0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -2.021 2.287 11.689) 12.081 0.880 ( -0.412 -6.607 6.236) 9.094 1.166 ( 2.681 2.786 5.010) 6.329 1.188 ( 1.998 -0.190 7.672) 7.931 1.230 ( 8.608 0.352 5.360) 10.147 1.287 ( 5.250 -3.875 6.218) 9.013 1.359 ( -0.582 2.773 10.308) 10.690 1.370 ( -0.286 2.430 8.136) 8.496 1.511 ( -1.610 0.980 0.174) 1.893 1.552 ( -0.798 -1.721 2.102) 2.832 1.688 ( -0.671 2.870 1.796) 3.451 1.763 ( -1.788 -3.146 1.490) 3.913 1.814 ( -0.349 4.222 3.697) 5.623 1.890 ( -4.539 -1.374 8.783) 9.982 1.945 ( -4.526 -0.290 6.544) 7.962 1.975 ( -1.554 -3.283 5.555) 6.637 2.129 ( -2.358 -1.713 7.192) 7.760 2.143 ( -2.926 -2.154 9.744) 10.399 2.308 ( -3.988 2.831 8.595) 9.889 2.370 ( -2.936 -2.598 7.943) 8.858 2.447 ( -1.045 4.153 4.921) 6.523 2.502 ( -3.069 6.090 1.801) 7.053 2.520 ( -3.439 -2.750 2.957) 5.304 2.631 ( -4.677 -5.707 2.228) 7.708 2.761 ( 1.199 2.033 0.146) 2.365 2.796 ( 1.451 0.744 -1.350) 2.117 2.833 ( -3.538 2.354 -0.077) 4.250 2.918 ( -2.171 -3.642 0.646) 4.289 2.969 ( -2.883 0.953 0.640) 3.103 3.033 ( -1.531 -4.585 -2.327) 5.365 3.331 ( 1.307 3.840 -1.908) 4.483 3.357 ( 3.297 0.864 0.509) 3.446 3.467 ( 4.133 2.060 -1.710) 4.925 3.501 ( 3.540 -1.350 -2.281) 4.423 3.599 ( 2.193 3.434 0.570) 4.115 3.636 ( -2.014 0.580 -2.547) 3.298 3.711 ( 1.055 1.456 -3.934) 4.326 3.742 ( -0.399 -2.166 -2.388) 3.248 3.781 ( -0.446 -0.981 -1.021) 1.484 3.843 ( 0.859 -3.359 -2.980) 4.572 4.100 ( -0.814 -0.314 -2.512) 2.659 4.109 ( -0.053 -1.034 -1.921) 2.182 4.192 ( 2.241 1.851 0.815) 3.018 4.225 ( 1.262 -0.862 0.468) 1.599 4.292 ( 0.634 0.764 -1.703) 1.971 4.319 ( 0.220 -1.635 -1.932) 2.540 4.378 ( 2.163 0.999 -2.654) 3.566 4.392 ( 2.675 -0.173 -2.825) 3.894 4.819 ( -3.189 0.689 0.045) 3.263 4.835 ( -4.451 -0.744 -0.114) 4.515 4.984 ( 0.897 1.196 2.923) 3.283 5.028 ( 0.454 -3.013 2.298) 3.817 5.157 ( -0.366 1.693 0.003) 1.732 5.206 ( -1.500 -2.997 0.457) 3.382 5.383 ( -2.315 2.677 -0.818) 3.633 5.392 ( -2.423 2.174 -1.660) 3.655 5.915 ( -1.984 0.297 2.745) 3.400 5.943 ( -1.733 -2.039 0.645) 2.752 6.182 ( 0.176 1.058 -1.034) 1.490 6.202 ( -0.045 -0.727 -0.890) 1.150 7.164 ( -4.727 1.332 6.895) 8.465 7.197 ( -5.018 -1.572 6.986) 8.744 7.353 ( -0.239 1.020 -0.424) 1.130 7.375 ( -0.216 -0.915 -0.369) 1.010 8.230 ( -3.594 4.703 2.040) 6.261 8.335 ( -4.392 -4.684 0.265) 6.426 8.450 ( 0.272 1.063 -0.520) 1.214 8.467 ( 0.605 -0.376 -0.276) 0.764 9.092 ( 2.265 1.151 1.187) 2.805 9.122 ( 2.842 -1.515 0.401) 3.245 9.241 ( 4.288 1.569 0.002) 4.566 9.274 ( 4.415 -1.378 -1.190) 4.775 ======================= Grid point 62 (38/74) ======================= q-point: ( 0.38 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -3.822 1.243 9.512) 10.327 0.909 ( -1.768 -7.271 5.617) 9.357 1.186 ( -4.450 4.713 6.823) 9.411 1.241 ( -3.025 -0.421 7.777) 8.355 1.353 ( 2.138 0.486 2.522) 3.342 1.379 ( 1.037 -1.075 3.556) 3.857 1.421 ( 0.494 1.671 4.087) 4.443 1.433 ( -0.074 0.893 6.484) 6.546 1.489 ( -1.464 1.120 1.022) 2.107 1.542 ( -1.627 -4.182 0.690) 4.540 1.673 ( -2.615 2.198 1.347) 3.672 1.715 ( -3.276 -1.265 2.313) 4.205 1.842 ( 0.094 4.126 1.382) 4.352 1.918 ( -0.846 -1.060 8.187) 8.299 1.966 ( -0.973 1.145 9.405) 9.524 2.023 ( 1.537 -4.259 4.941) 6.701 2.126 ( -3.192 0.949 6.759) 7.535 2.175 ( -3.232 -3.377 9.432) 10.527 2.310 ( -3.461 2.709 9.221) 10.215 2.369 ( -4.591 -2.033 8.807) 10.138 2.444 ( -3.084 1.335 4.927) 5.964 2.472 ( -4.891 -1.175 5.182) 7.222 2.504 ( -0.220 3.583 3.430) 4.966 2.580 ( -3.303 -3.550 3.673) 6.083 2.755 ( -0.848 1.085 -1.745) 2.223 2.779 ( -1.657 1.960 -0.695) 2.659 2.794 ( 0.137 1.585 -2.863) 3.276 2.879 ( -2.155 -3.493 0.052) 4.104 2.933 ( -1.109 1.394 0.152) 1.788 3.002 ( -0.212 -4.695 -1.391) 4.902 3.314 ( 0.358 5.773 -4.804) 7.519 3.402 ( 2.752 -1.849 -2.906) 4.409 3.510 ( -0.541 1.944 -1.731) 2.658 3.551 ( 3.371 2.659 -1.110) 4.435 3.563 ( -2.902 1.938 -2.637) 4.374 3.639 ( 0.820 -4.479 1.150) 4.696 3.682 ( 0.107 0.721 -3.650) 3.722 3.728 ( 1.932 -1.586 -3.043) 3.938 3.779 ( 0.609 1.692 -0.056) 1.799 3.841 ( 0.619 -3.024 -1.116) 3.282 4.074 ( 0.445 0.396 -2.573) 2.641 4.097 ( 0.759 -1.540 -1.650) 2.381 4.230 ( 1.257 1.128 -0.063) 1.690 4.239 ( 0.319 0.568 -0.851) 1.071 4.296 ( 0.640 0.411 -1.440) 1.628 4.323 ( 1.681 -2.163 -0.931) 2.893 4.419 ( 3.457 1.150 -0.735) 3.717 4.430 ( 3.197 0.179 -1.511) 3.541 4.765 ( -2.583 0.289 0.054) 2.600 4.769 ( -2.006 -0.101 0.137) 2.013 5.004 ( -0.939 0.432 2.015) 2.264 5.029 ( -2.046 -2.168 1.181) 3.206 5.147 ( -0.864 0.856 0.746) 1.427 5.180 ( -1.766 -2.275 1.433) 3.217 5.341 ( -0.554 3.209 -1.388) 3.539 5.363 ( -0.446 0.807 -1.005) 1.364 5.908 ( -1.298 0.200 2.987) 3.263 5.927 ( -0.998 -1.440 1.526) 2.323 6.179 ( 0.375 1.019 -0.930) 1.430 6.199 ( 0.403 -0.788 -0.533) 1.033 7.142 ( -3.784 1.492 6.677) 7.818 7.177 ( -3.695 -1.598 7.239) 8.283 7.348 ( 0.119 1.065 -0.557) 1.208 7.371 ( 0.171 -1.003 -0.400) 1.093 8.203 ( -1.923 3.583 3.365) 5.278 8.285 ( -1.937 -3.655 2.287) 4.727 8.459 ( 0.801 1.035 0.006) 1.309 8.478 ( 0.669 -0.605 0.123) 0.910 9.123 ( 0.555 1.389 0.014) 1.495 9.158 ( 1.235 -1.684 -0.810) 2.240 9.294 ( 1.949 1.283 -1.091) 2.575 9.321 ( 2.356 -1.133 -2.336) 3.506 ======================= Grid point 63 (39/74) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -6.866 2.393 8.047) 10.845 0.908 ( -2.862 -8.442 4.879) 10.162 1.136 ( -7.205 5.717 7.493) 11.863 1.215 ( -6.172 -1.504 7.003) 9.455 1.338 ( -6.094 1.366 0.262) 6.251 1.364 ( -5.109 -0.198 -0.151) 5.115 1.427 ( -4.242 1.448 4.648) 6.457 1.452 ( -3.328 0.293 1.518) 3.670 1.481 ( 2.167 0.654 2.216) 3.167 1.520 ( -1.904 -2.755 2.532) 4.198 1.647 ( -0.393 1.671 1.492) 2.275 1.698 ( -1.475 -3.396 2.597) 4.522 1.835 ( -2.520 6.408 2.079) 7.193 1.948 ( -3.319 -1.823 7.392) 8.306 2.009 ( -3.498 1.854 10.600) 11.315 2.081 ( -0.564 -5.888 6.798) 9.011 2.139 ( -1.571 0.283 5.178) 5.418 2.171 ( -4.187 -2.905 8.198) 9.653 2.324 ( -2.948 2.613 8.789) 9.632 2.361 ( -3.556 -0.093 8.702) 9.401 2.431 ( -3.136 -0.270 5.613) 6.435 2.444 ( -1.561 -0.835 5.376) 5.660 2.542 ( 0.070 1.958 5.278) 5.630 2.570 ( -1.521 -1.018 4.864) 5.197 2.708 ( -2.045 1.317 -2.941) 3.816 2.754 ( 0.141 -2.366 -3.824) 4.499 2.783 ( 0.735 3.446 -0.045) 3.524 2.853 ( -0.967 -2.780 0.894) 3.076 2.931 ( 1.123 1.920 -1.507) 2.687 2.994 ( 0.423 -4.025 -1.555) 4.336 3.281 ( 0.033 5.815 -3.901) 7.002 3.394 ( -0.620 -4.706 -4.815) 6.761 3.461 ( -3.255 3.673 -3.479) 6.016 3.490 ( -2.635 0.576 -2.686) 3.806 3.530 ( -1.510 2.298 -1.631) 3.198 3.649 ( -0.008 -6.084 1.241) 6.209 3.698 ( 2.339 4.542 -1.827) 5.425 3.761 ( 3.849 -1.089 -3.762) 5.491 3.795 ( 2.058 1.532 -1.821) 3.146 3.855 ( 0.899 -2.856 1.182) 3.219 4.081 ( 1.996 1.203 -0.774) 2.455 4.119 ( 2.225 -2.009 0.413) 3.026 4.227 ( -0.279 0.932 -1.666) 1.929 4.234 ( -0.316 0.420 -0.763) 0.926 4.298 ( 1.091 1.179 -1.605) 2.271 4.348 ( 1.638 -3.392 -1.001) 3.897 4.457 ( 1.826 1.212 -2.311) 3.186 4.471 ( 2.224 0.522 -1.473) 2.718 4.763 ( 1.325 0.222 2.451) 2.795 4.767 ( 1.168 -0.165 1.485) 1.897 4.971 ( -3.748 0.296 0.235) 3.767 4.992 ( -2.601 -1.832 0.914) 3.310 5.137 ( -1.062 0.670 0.718) 1.446 5.174 ( -0.211 -2.505 1.637) 3.000 5.340 ( 1.516 3.053 -1.193) 3.611 5.358 ( 0.799 1.170 -0.965) 1.714 5.917 ( -0.469 0.000 3.031) 3.067 5.932 ( 0.158 -1.330 1.603) 2.089 6.181 ( 0.628 1.236 -0.903) 1.654 6.206 ( 0.772 -1.013 -0.550) 1.388 7.135 ( -2.849 1.789 6.692) 7.490 7.178 ( -2.657 -1.978 7.428) 8.133 7.350 ( 0.575 1.194 -0.454) 1.401 7.376 ( 0.637 -1.117 -0.183) 1.299 8.213 ( -0.153 4.074 3.996) 5.709 8.305 ( 1.347 -4.096 3.741) 5.709 8.474 ( 0.647 1.103 0.309) 1.316 8.493 ( 0.740 -0.566 0.628) 1.123 9.110 ( -1.739 1.594 -0.548) 2.422 9.151 ( -1.142 -2.020 -1.228) 2.626 9.291 ( -0.747 1.504 -2.289) 2.839 9.322 ( 0.272 -1.220 -3.424) 3.645 ======================= Grid point 64 (40/74) ======================= q-point: (-0.38 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -7.736 5.410 7.912) 12.317 0.892 ( -3.055 -10.254 4.697) 11.685 1.050 ( -9.612 4.697 6.879) 12.719 1.098 ( -13.537 -0.219 1.979) 13.682 1.180 ( -8.723 0.072 0.790) 8.759 1.207 ( -11.158 -1.875 -0.005) 11.314 1.335 ( -10.152 2.855 5.129) 11.727 1.380 ( -6.458 -0.627 3.253) 7.258 1.487 ( -4.152 3.083 4.122) 6.614 1.535 ( 0.342 -1.247 2.111) 2.476 1.691 ( 1.923 0.106 2.735) 3.345 1.704 ( 0.863 -2.044 2.569) 3.395 1.817 ( -1.347 4.309 3.962) 6.007 1.925 ( -4.824 -4.352 7.584) 9.986 2.024 ( -3.912 3.154 10.359) 11.514 2.087 ( -5.261 -1.753 7.509) 9.335 2.142 ( -1.761 -1.946 7.854) 8.281 2.183 ( -2.665 -3.804 7.517) 8.836 2.351 ( -0.985 2.445 6.395) 6.917 2.381 ( -1.351 -0.549 6.734) 6.890 2.443 ( -1.791 0.654 5.330) 5.661 2.476 ( 0.824 -1.965 5.104) 5.531 2.581 ( -0.440 1.405 5.695) 5.882 2.594 ( -0.812 0.228 4.401) 4.481 2.644 ( -2.224 2.626 -3.017) 4.576 2.725 ( -0.357 -4.092 -3.401) 5.332 2.800 ( 0.678 3.018 -0.378) 3.117 2.859 ( 0.467 -2.038 1.364) 2.497 2.946 ( 2.585 1.643 -2.217) 3.781 2.996 ( 1.501 -3.151 -1.357) 3.745 3.241 ( -2.826 4.850 -2.379) 6.097 3.316 ( -3.368 -1.758 -2.749) 4.690 3.373 ( -1.844 1.441 -4.740) 5.287 3.406 ( -2.536 -0.685 -3.694) 4.533 3.545 ( 2.137 3.012 0.559) 3.735 3.659 ( 0.650 -6.105 1.033) 6.225 3.727 ( 2.134 6.459 -1.323) 6.930 3.781 ( 2.816 0.119 -4.167) 5.030 3.826 ( 2.740 -0.328 -3.008) 4.082 3.873 ( 0.358 -3.027 -0.358) 3.069 4.128 ( 2.435 1.616 1.333) 3.212 4.167 ( 1.212 -1.884 1.056) 2.477 4.210 ( 0.130 1.003 -1.990) 2.232 4.224 ( 0.645 0.001 -0.155) 0.663 4.308 ( 1.074 1.377 -0.823) 1.930 4.366 ( 1.771 -3.760 -1.487) 4.414 4.454 ( 0.620 1.786 -3.536) 4.009 4.488 ( 1.593 -0.671 -1.457) 2.260 4.813 ( 1.758 0.762 2.466) 3.123 4.835 ( 2.680 -1.345 3.475) 4.589 4.901 ( -3.335 0.812 -0.036) 3.432 4.941 ( -3.330 -2.743 -0.078) 4.315 5.122 ( -0.891 2.212 0.274) 2.400 5.192 ( 0.754 -4.151 0.995) 4.335 5.372 ( 2.770 3.544 -1.022) 4.613 5.382 ( 2.802 2.591 -0.628) 3.868 5.935 ( -0.165 -0.119 2.902) 2.909 5.957 ( 1.385 -1.885 0.963) 2.529 6.186 ( 0.802 1.438 -1.026) 1.940 6.216 ( 0.850 -1.180 -0.843) 1.681 7.148 ( -1.779 2.188 7.104) 7.643 7.203 ( -1.181 -2.720 7.888) 8.427 7.360 ( 0.724 1.352 -0.143) 1.540 7.389 ( 0.725 -1.251 0.188) 1.458 8.262 ( 2.010 5.468 3.942) 7.034 8.380 ( 3.464 -5.240 3.139) 7.022 8.489 ( 0.813 1.523 0.629) 1.838 8.514 ( 0.909 -0.468 1.014) 1.440 9.057 ( -3.660 1.604 -0.268) 4.005 9.100 ( -3.468 -2.353 -0.756) 4.259 9.233 ( -3.178 2.270 -3.352) 5.146 9.276 ( -1.792 -1.716 -4.595) 5.222 ======================= Grid point 65 (41/74) ======================= q-point: (-0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -6.278 7.739 8.791) 13.288 0.772 ( -18.579 2.412 -0.055) 18.735 0.840 ( -17.110 -2.598 0.127) 17.306 0.884 ( -3.510 -10.841 5.164) 12.511 1.038 ( -9.924 0.433 6.886) 12.087 1.067 ( -7.552 -1.851 5.280) 9.399 1.199 ( -10.299 6.643 11.625) 16.892 1.302 ( -6.597 -1.557 7.465) 10.083 1.435 ( -5.098 5.163 4.265) 8.416 1.532 ( -1.930 -4.059 2.356) 5.074 1.740 ( 0.635 0.062 3.705) 3.759 1.750 ( 0.756 -1.672 2.619) 3.197 1.837 ( -0.497 3.223 4.181) 5.302 1.919 ( -2.918 -4.431 7.698) 9.349 2.019 ( -3.298 4.331 6.314) 8.336 2.090 ( -4.212 -1.407 13.469) 14.182 2.166 ( -1.993 -1.657 5.916) 6.459 2.191 ( -3.498 -3.901 8.523) 10.005 2.376 ( -1.242 2.172 4.248) 4.930 2.403 ( -2.099 -0.538 5.442) 5.858 2.449 ( -0.680 2.827 2.439) 3.796 2.532 ( 0.810 -3.856 3.004) 4.954 2.588 ( -0.733 1.610 0.265) 1.789 2.604 ( -0.807 0.468 2.796) 2.948 2.620 ( -1.278 1.885 4.715) 5.236 2.683 ( -1.573 -3.052 -1.833) 3.893 2.785 ( -0.867 3.522 -1.827) 4.061 2.876 ( 0.986 -4.494 -0.717) 4.656 3.012 ( 5.148 2.115 1.281) 5.711 3.043 ( 3.624 -0.958 1.354) 3.986 3.157 ( -2.589 3.481 -2.531) 5.023 3.228 ( -4.268 -3.217 -3.069) 6.163 3.341 ( 0.468 1.623 -1.507) 2.263 3.358 ( -0.489 0.507 -1.529) 1.683 3.589 ( 2.289 2.909 -0.411) 3.725 3.692 ( 2.076 -5.605 0.594) 6.006 3.750 ( 1.861 6.444 -1.838) 6.955 3.806 ( 2.626 1.019 -3.358) 4.383 3.832 ( 0.711 -1.380 -3.251) 3.603 3.865 ( 0.142 -2.445 -1.699) 2.981 4.146 ( -0.713 0.529 -1.756) 1.968 4.167 ( -0.503 -1.179 -1.600) 2.050 4.208 ( 1.061 2.519 0.361) 2.757 4.257 ( 0.811 -1.939 0.850) 2.267 4.322 ( 0.878 2.846 0.684) 3.056 4.391 ( 2.398 -2.533 -2.796) 4.471 4.432 ( 0.357 2.290 -3.940) 4.571 4.526 ( 2.569 -6.573 1.698) 7.259 4.816 ( -3.016 -0.377 -0.187) 3.045 4.836 ( -2.007 -1.452 0.486) 2.525 4.904 ( 0.033 0.409 1.480) 1.536 4.933 ( 2.351 -2.039 3.615) 4.770 5.114 ( -0.172 4.049 0.194) 4.057 5.210 ( 0.586 -4.877 0.369) 4.925 5.424 ( 3.852 5.386 -0.684) 6.657 5.438 ( 3.874 4.176 -1.727) 5.952 5.953 ( -0.472 -0.202 2.720) 2.768 5.991 ( 2.008 -3.144 -0.383) 3.750 6.193 ( 0.876 1.475 -1.156) 2.068 6.222 ( 0.727 -1.177 -1.083) 1.757 7.184 ( -0.838 2.811 7.634) 8.179 7.264 ( 0.833 -4.518 8.017) 9.240 7.371 ( 0.518 1.389 0.313) 1.515 7.401 ( 0.260 -1.247 0.438) 1.347 8.335 ( 2.919 6.230 1.836) 7.121 8.442 ( 1.543 -3.526 -0.507) 3.882 8.511 ( 1.006 2.795 0.531) 3.017 8.574 ( 5.137 -2.260 1.903) 5.926 8.987 ( -4.060 1.254 0.838) 4.331 9.024 ( -4.504 -2.272 0.197) 5.049 9.132 ( -4.862 2.719 -3.104) 6.377 9.183 ( -4.345 -1.991 -5.101) 6.990 ======================= Grid point 66 (42/74) ======================= q-point: (-0.12 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -10.766 3.518 7.648) 13.666 0.577 ( -8.732 -3.332 5.136) 10.664 0.668 ( -4.051 8.097 11.964) 15.003 0.865 ( -4.468 -7.392 6.607) 10.874 0.950 ( -4.742 -2.335 7.480) 9.159 0.991 ( -6.640 -5.698 8.282) 12.047 1.184 ( -5.349 7.901 17.924) 20.306 1.264 ( -5.087 0.668 9.902) 11.152 1.390 ( -3.857 5.952 5.346) 8.882 1.522 ( -0.885 -5.517 2.547) 6.141 1.762 ( -0.954 -0.691 2.765) 3.006 1.767 ( -0.783 -1.969 2.070) 2.962 1.856 ( -1.396 3.325 4.417) 5.703 1.929 ( -2.765 -3.565 7.334) 8.611 2.022 ( -2.657 3.449 7.101) 8.329 2.108 ( -5.820 -2.712 12.581) 14.125 2.161 ( -3.859 -1.638 5.847) 7.194 2.186 ( -4.360 -2.823 7.879) 9.437 2.368 ( -2.822 2.140 2.827) 4.531 2.386 ( -3.644 -0.066 3.793) 5.260 2.459 ( 0.634 4.615 0.695) 4.710 2.532 ( -2.398 2.248 0.435) 3.316 2.569 ( -2.493 2.769 2.406) 4.436 2.623 ( 0.885 -2.380 3.003) 3.932 2.659 ( 1.775 -2.409 2.734) 4.053 2.673 ( 1.010 -2.956 1.028) 3.288 2.791 ( 2.344 3.429 1.444) 4.398 2.897 ( 1.413 -6.450 0.903) 6.665 3.085 ( -0.356 1.828 -0.570) 1.947 3.102 ( 1.256 0.338 0.259) 1.326 3.154 ( 1.157 1.693 -0.234) 2.064 3.182 ( 4.920 -0.623 1.884) 5.305 3.326 ( -0.181 2.645 -0.770) 2.761 3.374 ( 2.171 -1.651 -0.207) 2.735 3.604 ( -0.260 3.586 -1.354) 3.842 3.716 ( -0.281 -5.929 -1.172) 6.050 3.767 ( 1.534 6.109 -1.533) 6.482 3.794 ( 0.583 1.012 -3.947) 4.116 3.821 ( 1.181 -1.075 -4.000) 4.307 3.866 ( 1.129 -1.976 -1.451) 2.699 4.109 ( -0.820 0.537 -2.912) 3.073 4.132 ( -0.930 -1.044 -2.710) 3.049 4.225 ( -0.120 1.541 0.769) 1.726 4.254 ( -0.927 -0.606 -0.089) 1.111 4.345 ( 0.356 3.177 0.896) 3.320 4.394 ( 1.266 -0.087 -4.640) 4.811 4.410 ( 1.030 0.998 -4.164) 4.404 4.550 ( -2.750 -12.987 -0.084) 13.276 4.789 ( 0.645 0.588 1.823) 2.021 4.819 ( 0.059 -2.143 1.952) 2.899 4.930 ( 0.578 1.438 2.016) 2.543 4.984 ( 0.188 -3.271 2.590) 4.176 5.120 ( 0.690 4.960 0.286) 5.016 5.219 ( 0.290 -4.444 0.080) 4.455 5.476 ( 1.901 6.390 -2.311) 7.056 5.490 ( 4.231 6.042 -2.256) 7.713 5.959 ( -1.223 -0.322 2.553) 2.849 6.016 ( 1.590 -4.426 -2.046) 5.129 6.197 ( 0.682 1.391 -1.258) 1.996 6.224 ( 0.495 -1.039 -1.165) 1.637 7.226 ( -1.704 3.425 7.385) 8.317 7.330 ( -0.357 -5.469 4.589) 7.149 7.389 ( 0.447 -0.689 1.658) 1.850 7.405 ( -0.248 -1.064 0.562) 1.229 8.377 ( 1.643 4.456 -1.347) 4.936 8.442 ( 0.155 -2.235 -1.866) 2.915 8.533 ( 0.973 8.027 -2.528) 8.472 8.673 ( 3.605 -4.397 -2.381) 6.164 8.941 ( -1.760 0.514 2.124) 2.806 8.955 ( -2.850 -0.851 1.262) 3.231 9.039 ( -3.461 1.356 0.855) 3.814 9.067 ( -4.038 -1.072 -0.531) 4.211 ======================= Grid point 75 (43/74) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 8.242 0.000 10.108) 13.042 0.889 ( 6.697 0.000 10.423) 12.389 0.916 ( -2.606 0.000 14.201) 14.438 1.004 ( -4.454 0.000 7.564) 8.779 1.195 ( -0.301 0.000 5.200) 5.209 1.293 ( -0.570 0.000 2.995) 3.048 1.308 ( -1.134 0.000 8.014) 8.094 1.471 ( 0.243 0.000 8.197) 8.201 1.555 ( -0.097 0.000 -1.498) 1.502 1.599 ( -0.807 0.000 10.654) 10.684 1.733 ( -1.502 0.000 -3.446) 3.759 1.785 ( -1.802 0.000 0.738) 1.947 1.894 ( -3.773 0.000 3.181) 4.935 2.130 ( -1.417 0.000 6.819) 6.965 2.131 ( -3.312 0.000 6.057) 6.903 2.226 ( -7.423 0.000 4.998) 8.949 2.334 ( -3.952 0.000 -0.156) 3.955 2.335 ( -5.130 0.000 9.195) 10.529 2.385 ( -1.137 0.000 5.882) 5.991 2.461 ( -0.317 0.000 3.846) 3.859 2.461 ( -0.391 0.000 3.885) 3.904 2.510 ( -2.396 0.000 9.214) 9.521 2.650 ( -0.558 0.000 2.237) 2.306 2.746 ( -2.936 0.000 1.947) 3.523 2.754 ( 2.220 0.000 2.317) 3.209 2.824 ( 0.826 0.000 -0.361) 0.902 2.904 ( 1.717 0.000 5.327) 5.597 3.029 ( -1.459 0.000 0.832) 1.679 3.036 ( -1.916 0.000 3.715) 4.180 3.146 ( -3.283 0.000 0.909) 3.407 3.158 ( 3.803 0.000 2.933) 4.802 3.310 ( 3.991 0.000 0.985) 4.110 3.330 ( 1.536 0.000 0.614) 1.654 3.435 ( 3.006 0.000 -1.894) 3.553 3.471 ( -3.319 0.000 -2.830) 4.362 3.582 ( 1.298 0.000 -5.138) 5.299 3.652 ( 2.542 0.000 -3.477) 4.308 3.685 ( 0.395 0.000 -5.180) 5.195 3.849 ( -2.187 0.000 0.619) 2.273 3.873 ( -0.393 0.000 0.778) 0.871 4.036 ( 2.679 0.000 -1.595) 3.118 4.070 ( 1.845 0.000 -2.400) 3.027 4.188 ( -1.502 0.000 -1.856) 2.387 4.215 ( -0.774 0.000 -1.177) 1.409 4.256 ( 2.517 0.000 -5.923) 6.436 4.294 ( 1.130 0.000 -3.909) 4.069 4.294 ( -1.184 0.000 -2.739) 2.984 4.434 ( -4.881 0.000 -7.131) 8.642 4.904 ( -2.046 0.000 1.346) 2.449 4.914 ( 2.887 0.000 2.602) 3.887 4.985 ( 5.362 0.000 -1.396) 5.540 5.020 ( -3.650 0.000 -0.114) 3.652 5.106 ( 0.294 0.000 1.885) 1.907 5.245 ( 0.228 0.000 -1.956) 1.969 5.352 ( 0.598 0.000 1.468) 1.585 5.459 ( -0.641 0.000 0.299) 0.707 6.019 ( -1.058 0.000 -0.178) 1.073 6.033 ( -2.322 0.000 2.810) 3.645 6.143 ( 0.819 0.000 -2.106) 2.260 6.198 ( 0.639 0.000 -2.032) 2.130 7.324 ( -2.549 0.000 4.768) 5.406 7.362 ( -0.738 0.000 0.912) 1.174 7.412 ( -1.164 0.000 0.807) 1.416 7.441 ( -3.750 0.000 0.169) 3.754 8.301 ( -2.769 0.000 1.957) 3.391 8.406 ( 0.960 0.000 -0.861) 1.290 8.421 ( 0.620 0.000 -0.566) 0.840 8.576 ( -3.762 0.000 -4.154) 5.604 9.028 ( 0.951 0.000 2.798) 2.955 9.064 ( 3.488 0.000 3.305) 4.805 9.067 ( 0.104 0.000 1.904) 1.907 9.136 ( 2.396 0.000 1.634) 2.900 ======================= Grid point 76 (44/74) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -3.301 0.000 8.248) 8.884 1.001 ( 0.451 0.000 11.305) 11.314 1.084 ( 11.950 0.000 5.909) 13.331 1.102 ( 7.495 0.000 7.224) 10.409 1.246 ( 3.332 0.000 -0.350) 3.350 1.310 ( 0.204 0.000 3.243) 3.249 1.350 ( -0.589 0.000 5.648) 5.678 1.534 ( -1.055 0.000 -0.687) 1.259 1.539 ( -0.532 0.000 8.742) 8.758 1.651 ( -0.579 0.000 4.515) 4.552 1.682 ( -1.312 0.000 -2.617) 2.927 1.775 ( 1.004 0.000 -0.276) 1.041 1.845 ( -5.074 0.000 4.714) 6.925 2.104 ( -4.732 0.000 5.963) 7.612 2.113 ( -5.519 0.000 6.217) 8.313 2.159 ( -6.092 0.000 7.758) 9.864 2.325 ( 2.653 0.000 1.920) 3.275 2.335 ( -4.383 0.000 11.003) 11.844 2.418 ( -1.367 0.000 8.014) 8.130 2.465 ( -1.863 0.000 3.884) 4.308 2.486 ( -3.941 0.000 6.768) 7.832 2.523 ( 0.262 0.000 3.214) 3.225 2.675 ( 2.341 0.000 -0.778) 2.467 2.690 ( -5.293 0.000 3.855) 6.548 2.793 ( -0.124 0.000 1.542) 1.547 2.811 ( -1.394 0.000 -1.669) 2.175 2.901 ( -6.205 0.000 5.899) 8.562 3.010 ( -1.598 0.000 -0.159) 1.606 3.043 ( -1.525 0.000 4.267) 4.532 3.099 ( -2.112 0.000 0.616) 2.200 3.251 ( 0.121 0.000 0.144) 0.188 3.297 ( 1.618 0.000 -0.953) 1.878 3.346 ( 0.606 0.000 -3.628) 3.678 3.468 ( 4.590 0.000 0.940) 4.685 3.481 ( 3.056 0.000 -0.790) 3.157 3.593 ( 2.312 0.000 -2.431) 3.355 3.623 ( -2.330 0.000 -4.645) 5.196 3.692 ( 4.298 0.000 -4.423) 6.167 3.820 ( -1.270 0.000 -0.307) 1.307 3.860 ( -1.317 0.000 1.188) 1.773 4.081 ( 1.686 0.000 -2.333) 2.879 4.083 ( 1.150 0.000 -2.748) 2.979 4.149 ( 0.474 0.000 -0.848) 0.972 4.195 ( 0.003 0.000 -2.495) 2.495 4.261 ( 0.478 0.000 -1.904) 1.963 4.271 ( 3.511 0.000 -4.066) 5.372 4.298 ( 2.226 0.000 -2.061) 3.033 4.331 ( -1.710 0.000 -4.139) 4.479 4.863 ( -3.117 0.000 0.203) 3.124 4.936 ( -5.202 0.000 -0.531) 5.229 4.982 ( 2.233 0.000 2.863) 3.631 5.048 ( 2.922 0.000 -1.292) 3.195 5.130 ( 0.599 0.000 1.623) 1.730 5.235 ( 0.541 0.000 -2.140) 2.207 5.366 ( -0.367 0.000 1.401) 1.449 5.417 ( -3.869 0.000 -0.421) 3.892 5.996 ( -1.749 0.000 1.085) 2.059 6.012 ( -2.459 0.000 3.035) 3.906 6.140 ( 0.732 0.000 -1.999) 2.129 6.193 ( 0.449 0.000 -1.648) 1.708 7.306 ( -3.750 0.000 4.900) 6.170 7.354 ( -0.955 0.000 0.871) 1.293 7.377 ( -4.398 0.000 3.484) 5.611 7.399 ( -0.997 0.000 0.917) 1.355 8.268 ( -2.824 0.000 3.007) 4.125 8.409 ( 0.783 0.000 -1.000) 1.270 8.449 ( 1.484 0.000 0.912) 1.742 8.470 ( -4.623 0.000 -2.522) 5.266 9.068 ( 1.368 0.000 1.844) 2.296 9.092 ( 1.558 0.000 0.082) 1.560 9.159 ( 4.426 0.000 1.575) 4.698 9.199 ( 3.702 0.000 -0.658) 3.760 ======================= Grid point 77 (45/74) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -2.372 0.000 5.797) 6.264 1.098 ( -0.094 0.000 10.091) 10.091 1.216 ( 0.493 0.000 3.713) 3.745 1.290 ( 3.252 0.000 -3.502) 4.779 1.299 ( 6.230 0.000 2.592) 6.748 1.365 ( 3.040 0.000 3.943) 4.979 1.382 ( 1.825 0.000 0.433) 1.875 1.514 ( -1.229 0.000 0.571) 1.355 1.571 ( -1.797 0.000 4.421) 4.772 1.644 ( -1.773 0.000 -0.093) 1.775 1.671 ( 0.530 0.000 -0.263) 0.591 1.792 ( -4.911 0.000 5.759) 7.569 1.805 ( 1.153 0.000 1.610) 1.980 2.079 ( -2.996 0.000 6.960) 7.578 2.088 ( -2.103 0.000 5.866) 6.231 2.132 ( -4.121 0.000 9.698) 10.537 2.323 ( -6.593 0.000 10.825) 12.675 2.424 ( 4.555 0.000 4.070) 6.109 2.447 ( -5.236 0.000 7.686) 9.300 2.450 ( 0.078 0.000 5.733) 5.734 2.510 ( -0.301 0.000 9.058) 9.063 2.557 ( -0.156 0.000 1.631) 1.639 2.630 ( -4.897 0.000 4.700) 6.787 2.691 ( 1.223 0.000 -3.786) 3.979 2.754 ( -2.920 0.000 -1.577) 3.319 2.760 ( -3.383 0.000 -1.572) 3.730 2.834 ( -6.734 0.000 8.182) 10.597 2.963 ( -2.549 0.000 -1.574) 2.996 3.013 ( -4.616 0.000 2.351) 5.181 3.083 ( -1.010 0.000 1.730) 2.003 3.180 ( -1.474 0.000 -5.241) 5.444 3.348 ( 3.254 0.000 -3.499) 4.778 3.393 ( 4.054 0.000 2.054) 4.545 3.503 ( 0.167 0.000 -1.206) 1.218 3.520 ( -1.269 0.000 -3.080) 3.331 3.606 ( 4.588 0.000 1.395) 4.795 3.626 ( 3.301 0.000 -2.136) 3.932 3.696 ( 0.164 0.000 -5.797) 5.799 3.794 ( -1.378 0.000 -0.366) 1.426 3.859 ( -0.017 0.000 2.285) 2.285 4.050 ( -0.758 0.000 -3.248) 3.336 4.069 ( 0.797 0.000 -3.228) 3.325 4.176 ( 0.491 0.000 -3.267) 3.304 4.198 ( 2.757 0.000 0.907) 2.903 4.275 ( 0.238 0.000 -1.049) 1.076 4.302 ( 2.402 0.000 -2.401) 3.396 4.316 ( 4.141 0.000 -2.197) 4.688 4.338 ( 3.039 0.000 -0.857) 3.157 4.805 ( -2.901 0.000 -0.249) 2.912 4.838 ( -4.933 0.000 -0.174) 4.936 5.031 ( 0.694 0.000 2.123) 2.234 5.069 ( 0.621 0.000 -1.433) 1.562 5.152 ( 0.415 0.000 1.775) 1.823 5.232 ( 1.047 0.000 -2.196) 2.433 5.329 ( -5.212 0.000 -0.008) 5.212 5.360 ( -1.198 0.000 0.622) 1.350 5.976 ( -1.652 0.000 1.874) 2.498 5.996 ( -2.198 0.000 3.511) 4.142 6.138 ( 0.736 0.000 -1.968) 2.101 6.190 ( 0.576 0.000 -1.242) 1.369 7.273 ( -4.068 0.000 5.060) 6.492 7.343 ( -0.965 0.000 0.633) 1.154 7.345 ( -3.378 0.000 5.523) 6.474 7.391 ( -0.772 0.000 0.954) 1.228 8.252 ( -2.201 0.000 4.067) 4.625 8.386 ( -3.063 0.000 -0.286) 3.076 8.422 ( 1.340 0.000 -0.453) 1.414 8.478 ( 0.792 0.000 1.159) 1.404 9.100 ( 0.991 0.000 0.677) 1.200 9.120 ( 2.079 0.000 -1.466) 2.545 9.235 ( 3.180 0.000 -0.028) 3.180 9.248 ( 3.095 0.000 -2.715) 4.118 ======================= Grid point 78 (46/74) ======================= q-point: (-0.62 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -3.311 0.000 6.142) 6.978 1.134 ( -3.781 0.000 7.972) 8.823 1.210 ( -3.205 0.000 2.806) 4.260 1.318 ( 2.809 0.000 -3.256) 4.300 1.348 ( -0.841 0.000 2.084) 2.248 1.431 ( 3.858 0.000 -0.540) 3.895 1.435 ( -0.986 0.000 3.414) 3.554 1.485 ( -1.007 0.000 -2.569) 2.759 1.563 ( -0.894 0.000 -0.045) 0.895 1.617 ( -4.404 0.000 -2.220) 4.932 1.627 ( -1.109 0.000 2.242) 2.501 1.758 ( -1.371 0.000 -1.947) 2.381 1.853 ( -1.447 0.000 10.361) 10.461 2.114 ( -0.609 0.000 8.317) 8.339 2.126 ( 1.136 0.000 4.759) 4.892 2.161 ( -2.399 0.000 10.284) 10.560 2.302 ( -4.503 0.000 10.030) 10.994 2.429 ( -3.781 0.000 8.076) 8.917 2.499 ( -2.157 0.000 8.101) 8.383 2.528 ( -3.325 0.000 3.527) 4.847 2.533 ( 1.771 0.000 4.082) 4.450 2.546 ( -2.593 0.000 5.365) 5.959 2.595 ( -3.362 0.000 5.829) 6.729 2.669 ( -0.024 0.000 -4.510) 4.510 2.698 ( -0.808 0.000 0.098) 0.814 2.715 ( -0.002 0.000 -0.189) 0.189 2.783 ( -5.824 0.000 6.586) 8.792 2.912 ( -0.964 0.000 -2.332) 2.523 2.938 ( -4.494 0.000 1.280) 4.673 3.077 ( -1.274 0.000 1.476) 1.950 3.132 ( 0.662 0.000 -5.182) 5.224 3.385 ( 2.860 0.000 -3.304) 4.370 3.422 ( -1.848 0.000 -1.598) 2.443 3.482 ( -0.389 0.000 0.460) 0.603 3.489 ( -0.092 0.000 -2.297) 2.299 3.620 ( -2.739 0.000 -3.422) 4.383 3.662 ( 2.639 0.000 -4.083) 4.861 3.691 ( 3.562 0.000 -1.518) 3.872 3.774 ( -0.949 0.000 2.045) 2.254 3.898 ( 1.329 0.000 3.807) 4.032 4.027 ( 0.873 0.000 -2.131) 2.302 4.085 ( 3.374 0.000 -1.541) 3.709 4.161 ( 0.709 0.000 -3.215) 3.293 4.231 ( 0.151 0.000 0.410) 0.436 4.257 ( 0.050 0.000 -1.948) 1.948 4.350 ( 3.720 0.000 -1.627) 4.060 4.362 ( 2.160 0.000 -3.179) 3.843 4.372 ( 2.038 0.000 -2.176) 2.981 4.776 ( -0.702 0.000 0.610) 0.930 4.782 ( -0.765 0.000 2.053) 2.191 5.023 ( -2.280 0.000 -1.179) 2.567 5.057 ( -1.157 0.000 0.346) 1.207 5.170 ( -0.259 0.000 1.654) 1.674 5.239 ( 1.589 0.000 -1.995) 2.551 5.252 ( -3.080 0.000 0.770) 3.174 5.337 ( -1.322 0.000 -0.353) 1.368 5.968 ( -1.011 0.000 2.084) 2.316 5.991 ( -1.563 0.000 3.821) 4.129 6.136 ( 0.777 0.000 -1.968) 2.116 6.193 ( 0.796 0.000 -1.273) 1.502 7.246 ( -3.395 0.000 5.202) 6.212 7.332 ( -0.503 0.000 0.357) 0.617 7.337 ( -2.728 0.000 6.008) 6.598 7.389 ( -0.235 0.000 0.961) 0.990 8.248 ( -1.926 0.000 4.252) 4.668 8.372 ( 0.479 0.000 2.669) 2.712 8.444 ( 1.191 0.000 -0.380) 1.250 8.498 ( 0.536 0.000 1.283) 1.391 9.110 ( -0.292 0.000 0.034) 0.294 9.139 ( 1.506 0.000 -1.975) 2.483 9.265 ( 1.755 0.000 -4.009) 4.376 9.265 ( 0.654 0.000 -1.483) 1.620 ======================= Grid point 79 (47/74) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -7.866 0.000 7.631) 10.959 1.116 ( -3.749 0.000 5.746) 6.861 1.165 ( -4.530 0.000 3.892) 5.973 1.320 ( -4.629 0.000 0.963) 4.728 1.322 ( -1.378 0.000 -0.710) 1.551 1.350 ( -10.160 0.000 2.125) 10.380 1.450 ( -0.595 0.000 0.116) 0.606 1.506 ( -5.555 0.000 0.048) 5.555 1.511 ( 3.687 0.000 -0.271) 3.697 1.558 ( 0.344 0.000 -2.128) 2.156 1.641 ( 2.047 0.000 0.794) 2.195 1.725 ( -0.062 0.000 -1.549) 1.550 1.886 ( -4.137 0.000 10.256) 11.059 2.151 ( -3.961 0.000 4.259) 5.817 2.157 ( -2.888 0.000 9.051) 9.500 2.209 ( 1.048 0.000 7.003) 7.081 2.317 ( -2.783 0.000 8.691) 9.126 2.412 ( -4.806 0.000 6.760) 8.294 2.479 ( -4.693 0.000 7.037) 8.458 2.506 ( -2.306 0.000 4.955) 5.465 2.524 ( -2.774 0.000 0.587) 2.835 2.557 ( -0.986 0.000 5.515) 5.602 2.642 ( 0.945 0.000 5.638) 5.717 2.645 ( -1.045 0.000 1.128) 1.538 2.717 ( 0.318 0.000 2.637) 2.656 2.735 ( -3.976 0.000 4.727) 6.177 2.743 ( 1.776 0.000 2.068) 2.726 2.891 ( -1.196 0.000 -0.147) 1.205 2.892 ( 0.287 0.000 -1.538) 1.565 3.064 ( -1.215 0.000 1.654) 2.053 3.121 ( 2.244 0.000 -4.105) 4.678 3.318 ( -5.541 0.000 -5.372) 7.717 3.385 ( -0.478 0.000 -1.023) 1.129 3.436 ( -3.223 0.000 -2.257) 3.935 3.514 ( 2.238 0.000 1.149) 2.516 3.579 ( -0.529 0.000 -0.492) 0.723 3.664 ( 1.961 0.000 -4.944) 5.319 3.707 ( 1.512 0.000 -3.490) 3.803 3.798 ( 0.701 0.000 3.245) 3.320 3.942 ( -0.055 0.000 2.711) 2.711 4.059 ( 3.525 0.000 0.272) 3.535 4.143 ( 1.407 0.000 -3.263) 3.553 4.166 ( 4.057 0.000 0.839) 4.143 4.210 ( -2.114 0.000 -0.765) 2.249 4.259 ( 1.798 0.000 -1.423) 2.293 4.345 ( 0.746 0.000 -5.392) 5.444 4.367 ( 0.442 0.000 -4.751) 4.771 4.402 ( 3.898 0.000 -2.309) 4.530 4.797 ( 1.905 0.000 1.821) 2.635 4.838 ( 3.221 0.000 4.414) 5.464 4.951 ( -3.878 0.000 -1.880) 4.310 5.023 ( -2.685 0.000 -0.748) 2.787 5.155 ( -2.258 0.000 1.004) 2.472 5.248 ( 1.292 0.000 1.393) 1.900 5.256 ( 1.894 0.000 -1.629) 2.499 5.312 ( -0.753 0.000 -1.023) 1.271 5.975 ( 0.016 0.000 1.899) 1.899 6.001 ( -0.819 0.000 3.963) 4.047 6.134 ( 0.884 0.000 -2.080) 2.260 6.197 ( 0.945 0.000 -1.720) 1.962 7.236 ( -2.279 0.000 5.163) 5.644 7.333 ( 0.266 0.000 0.255) 0.368 7.344 ( -1.625 0.000 5.710) 5.936 7.400 ( 0.504 0.000 1.115) 1.223 8.258 ( -0.795 0.000 4.717) 4.783 8.431 ( 2.886 0.000 3.747) 4.729 8.451 ( 0.200 0.000 -0.998) 1.018 8.519 ( 0.461 0.000 1.103) 1.195 9.091 ( -1.891 0.000 0.274) 1.910 9.140 ( 0.083 0.000 -1.226) 1.228 9.233 ( -2.378 0.000 -2.558) 3.493 9.247 ( 0.058 0.000 -4.599) 4.599 ======================= Grid point 80 (48/74) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -8.208 0.000 10.267) 13.145 1.063 ( -12.823 0.000 2.767) 13.118 1.093 ( -3.361 0.000 4.530) 5.641 1.150 ( -13.715 0.000 1.805) 13.833 1.211 ( -4.903 0.000 2.977) 5.735 1.259 ( -5.877 0.000 2.826) 6.521 1.424 ( -3.222 0.000 -0.237) 3.230 1.424 ( -4.478 0.000 3.937) 5.962 1.550 ( -2.403 0.000 3.893) 4.575 1.563 ( 2.102 0.000 0.002) 2.102 1.713 ( 4.715 0.000 -0.221) 4.720 1.744 ( 2.150 0.000 1.171) 2.449 1.890 ( -2.818 0.000 7.831) 8.323 2.091 ( -5.387 0.000 4.533) 7.040 2.155 ( -4.338 0.000 7.886) 9.000 2.289 ( 0.819 0.000 8.352) 8.392 2.327 ( -3.027 0.000 7.814) 8.379 2.387 ( -2.684 0.000 4.287) 5.058 2.459 ( -2.742 0.000 -2.420) 3.657 2.481 ( -3.898 0.000 10.384) 11.092 2.505 ( -2.036 0.000 3.957) 4.450 2.600 ( 0.678 0.000 4.721) 4.770 2.633 ( -2.591 0.000 3.800) 4.599 2.667 ( -1.195 0.000 0.072) 1.197 2.703 ( -3.190 0.000 5.265) 6.156 2.749 ( 0.154 0.000 1.559) 1.567 2.780 ( -1.977 0.000 4.403) 4.826 2.891 ( 1.646 0.000 -0.860) 1.857 2.906 ( 2.812 0.000 0.623) 2.880 3.071 ( 0.045 0.000 3.206) 3.206 3.116 ( -1.180 0.000 -2.635) 2.887 3.228 ( 2.236 0.000 -3.774) 4.387 3.348 ( -5.297 0.000 -0.708) 5.345 3.359 ( -2.137 0.000 0.274) 2.154 3.552 ( 1.496 0.000 -0.648) 1.630 3.576 ( 1.036 0.000 -1.334) 1.689 3.671 ( 3.097 0.000 -4.105) 5.142 3.716 ( 2.347 0.000 -2.902) 3.732 3.839 ( 0.895 0.000 3.195) 3.318 3.934 ( -2.397 0.000 0.974) 2.588 4.124 ( 0.119 0.000 -3.519) 3.521 4.129 ( 2.302 0.000 0.404) 2.337 4.163 ( -0.692 0.000 -1.658) 1.796 4.256 ( 3.653 0.000 1.221) 3.852 4.287 ( 1.599 0.000 -0.450) 1.661 4.317 ( 1.079 0.000 -6.245) 6.338 4.331 ( 0.831 0.000 -5.393) 5.457 4.475 ( 7.172 0.000 -2.299) 7.532 4.851 ( 1.766 0.000 2.555) 3.106 4.872 ( -2.780 0.000 -2.079) 3.471 4.942 ( 3.916 0.000 4.260) 5.787 4.949 ( -4.176 0.000 -2.221) 4.730 5.122 ( -2.171 0.000 1.066) 2.419 5.276 ( 1.457 0.000 -1.494) 2.086 5.296 ( 0.055 0.000 -1.056) 1.058 5.301 ( 3.082 0.000 1.382) 3.378 5.996 ( 0.767 0.000 1.297) 1.507 6.023 ( -0.346 0.000 3.887) 3.902 6.135 ( 1.094 0.000 -2.234) 2.487 6.199 ( 1.068 0.000 -2.157) 2.407 7.249 ( -0.836 0.000 5.167) 5.234 7.344 ( 0.670 0.000 0.386) 0.773 7.374 ( 0.488 0.000 4.735) 4.760 7.420 ( 0.524 0.000 1.214) 1.323 8.291 ( 0.058 0.000 4.603) 4.603 8.439 ( -0.229 0.000 -1.797) 1.812 8.521 ( -0.860 0.000 -0.187) 0.880 8.524 ( 4.394 0.000 2.562) 5.086 9.052 ( -2.964 0.000 1.439) 3.295 9.125 ( -1.436 0.000 0.566) 1.544 9.145 ( -4.756 0.000 -2.699) 5.468 9.195 ( -1.821 0.000 -4.193) 4.572 ======================= Grid point 81 (49/74) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -14.985 0.000 6.617) 16.381 0.844 ( -5.734 0.000 13.040) 14.245 0.893 ( -14.536 0.000 2.922) 14.827 1.071 ( -3.603 0.000 5.367) 6.464 1.184 ( -6.168 0.000 7.170) 9.458 1.217 ( -0.537 0.000 6.674) 6.695 1.361 ( -6.659 0.000 5.810) 8.837 1.388 ( -1.392 0.000 1.982) 2.422 1.535 ( -4.739 0.000 9.335) 10.470 1.577 ( -0.066 0.000 -0.701) 0.704 1.775 ( 2.268 0.000 -0.948) 2.458 1.795 ( 1.278 0.000 1.978) 2.355 1.910 ( -0.945 0.000 4.936) 5.025 2.060 ( -2.762 0.000 6.626) 7.179 2.141 ( -3.682 0.000 6.979) 7.890 2.340 ( -2.662 0.000 7.940) 8.375 2.355 ( -2.004 0.000 10.023) 10.221 2.377 ( -1.603 0.000 2.153) 2.684 2.397 ( -2.105 0.000 -0.925) 2.299 2.485 ( -4.964 0.000 9.531) 10.746 2.492 ( -2.355 0.000 2.698) 3.582 2.586 ( -5.504 0.000 -2.799) 6.175 2.620 ( -2.518 0.000 4.986) 5.586 2.664 ( 3.311 0.000 1.332) 3.569 2.714 ( 0.248 0.000 4.888) 4.894 2.742 ( -1.305 0.000 0.544) 1.413 2.762 ( -2.345 0.000 5.582) 6.055 2.937 ( 3.799 0.000 -0.173) 3.803 3.006 ( 4.952 0.000 2.300) 5.461 3.094 ( 1.391 0.000 -0.146) 1.398 3.115 ( 0.676 0.000 5.349) 5.392 3.238 ( -5.570 0.000 0.284) 5.577 3.291 ( 5.321 0.000 -2.573) 5.911 3.317 ( -2.644 0.000 0.345) 2.667 3.565 ( 0.935 0.000 -1.184) 1.509 3.592 ( 2.106 0.000 -2.167) 3.022 3.703 ( 3.232 0.000 -3.701) 4.914 3.722 ( 1.188 0.000 -4.762) 4.908 3.875 ( -0.035 0.000 3.209) 3.209 3.878 ( -3.655 0.000 0.187) 3.660 4.097 ( 0.116 0.000 -3.707) 3.708 4.099 ( -1.684 0.000 -2.952) 3.398 4.196 ( 1.953 0.000 -0.125) 1.957 4.274 ( -1.018 0.000 -0.511) 1.139 4.286 ( 1.484 0.000 -6.430) 6.599 4.317 ( 1.738 0.000 -4.908) 5.206 4.321 ( 1.303 0.000 0.650) 1.456 4.615 ( 9.733 0.000 -5.060) 10.970 4.814 ( -2.592 0.000 -2.528) 3.621 4.863 ( -1.997 0.000 -0.339) 2.025 4.894 ( 0.581 0.000 2.721) 2.783 5.029 ( 2.242 0.000 3.014) 3.757 5.099 ( -1.419 0.000 1.383) 1.982 5.273 ( 0.035 0.000 -1.835) 1.836 5.305 ( 1.139 0.000 -0.275) 1.171 5.372 ( 3.345 0.000 1.665) 3.737 6.018 ( 0.884 0.000 0.358) 0.954 6.044 ( -0.685 0.000 3.404) 3.472 6.139 ( 1.294 0.000 -2.266) 2.609 6.201 ( 1.085 0.000 -2.325) 2.566 7.284 ( 0.004 0.000 5.071) 5.071 7.359 ( 0.364 0.000 0.615) 0.714 7.432 ( -0.308 0.000 1.059) 1.103 7.433 ( 2.603 0.000 2.377) 3.525 8.322 ( -0.313 0.000 3.337) 3.352 8.417 ( -0.314 0.000 -2.346) 2.367 8.486 ( -1.977 0.000 -1.611) 2.550 8.618 ( 4.639 0.000 -0.567) 4.674 9.015 ( -3.153 0.000 2.832) 4.238 9.040 ( -4.457 0.000 -0.619) 4.500 9.102 ( -2.450 0.000 2.402) 3.431 9.124 ( -2.749 0.000 -1.856) 3.317 ======================= Grid point 82 (50/74) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -4.931 0.000 10.351) 11.466 0.768 ( -4.062 0.000 10.302) 11.074 0.866 ( -4.269 0.000 14.275) 14.900 1.038 ( -5.419 0.000 7.005) 8.856 1.170 ( -2.943 0.000 8.907) 9.381 1.266 ( 0.433 0.000 4.508) 4.528 1.298 ( -4.935 0.000 6.590) 8.233 1.409 ( -0.164 0.000 6.508) 6.510 1.542 ( -3.487 0.000 11.842) 12.344 1.565 ( -0.194 0.000 -0.934) 0.954 1.777 ( -0.395 0.000 -2.368) 2.401 1.808 ( -1.444 0.000 1.897) 2.384 1.920 ( -1.720 0.000 2.989) 3.449 2.088 ( -0.633 0.000 6.960) 6.989 2.134 ( -3.040 0.000 6.518) 7.192 2.321 ( -6.152 0.000 3.390) 7.024 2.354 ( -2.431 0.000 7.182) 7.582 2.367 ( -2.064 0.000 2.106) 2.949 2.402 ( -1.921 0.000 5.420) 5.750 2.455 ( -4.807 0.000 3.167) 5.756 2.463 ( -4.595 0.000 7.540) 8.830 2.486 ( -1.918 0.000 2.097) 2.841 2.634 ( -0.684 0.000 5.305) 5.348 2.717 ( -0.163 0.000 0.220) 0.274 2.736 ( 2.790 0.000 0.913) 2.936 2.793 ( 0.782 0.000 3.639) 3.722 2.803 ( 3.407 0.000 5.757) 6.689 3.010 ( 3.179 0.000 0.906) 3.306 3.053 ( -0.672 0.000 1.341) 1.500 3.114 ( -1.417 0.000 0.691) 1.577 3.162 ( -0.685 0.000 5.255) 5.299 3.236 ( 5.375 0.000 2.650) 5.993 3.276 ( -1.441 0.000 0.093) 1.444 3.371 ( 5.430 0.000 -2.220) 5.866 3.550 ( -2.185 0.000 -1.613) 2.716 3.607 ( 1.709 0.000 -3.693) 4.069 3.684 ( -1.650 0.000 -4.824) 5.099 3.700 ( 1.793 0.000 -5.684) 5.960 3.853 ( 0.792 0.000 0.985) 1.264 3.879 ( -1.796 0.000 1.817) 2.555 4.045 ( -1.190 0.000 -2.964) 3.194 4.072 ( 0.487 0.000 -3.341) 3.377 4.209 ( 0.333 0.000 -1.268) 1.311 4.244 ( -1.572 0.000 -0.527) 1.658 4.269 ( 1.913 0.000 -6.262) 6.548 4.308 ( 1.277 0.000 -4.496) 4.674 4.326 ( -0.441 0.000 -1.085) 1.171 4.595 ( -3.988 0.000 -10.240) 10.989 4.836 ( 4.307 0.000 1.643) 4.610 4.890 ( 4.525 0.000 0.010) 4.525 4.914 ( -0.675 0.000 2.322) 2.418 5.059 ( -0.937 0.000 1.225) 1.542 5.094 ( -0.540 0.000 1.751) 1.833 5.258 ( 0.002 0.000 -1.866) 1.866 5.326 ( 1.095 0.000 0.703) 1.301 5.437 ( 2.154 0.000 1.434) 2.588 6.029 ( 0.325 0.000 -0.576) 0.661 6.048 ( -1.777 0.000 3.017) 3.502 6.143 ( 1.128 0.000 -2.215) 2.486 6.201 ( 0.933 0.000 -2.246) 2.432 7.318 ( -0.909 0.000 4.781) 4.867 7.365 ( -0.280 0.000 0.802) 0.850 7.426 ( -1.039 0.000 0.838) 1.335 7.477 ( 0.686 0.000 -0.712) 0.988 8.326 ( -1.625 0.000 2.014) 2.588 8.398 ( 0.274 0.000 -1.535) 1.560 8.440 ( -1.236 0.000 -1.800) 2.184 8.649 ( 0.326 0.000 -4.366) 4.378 8.989 ( -0.310 0.000 2.806) 2.823 9.014 ( -1.028 0.000 3.766) 3.904 9.067 ( -2.203 0.000 2.079) 3.029 9.102 ( -0.506 0.000 2.364) 2.417 ======================= Grid point 83 (51/74) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 6.151 -0.026 11.144) 12.729 0.841 ( 6.579 -3.074 9.337) 11.828 0.995 ( -1.517 3.409 12.311) 12.864 1.028 ( -2.776 2.386 9.243) 9.941 1.142 ( -1.716 -4.389 6.519) 8.044 1.165 ( 0.581 -4.126 7.362) 8.460 1.430 ( -0.025 4.801 3.956) 6.221 1.507 ( -0.909 -2.581 3.791) 4.675 1.529 ( 0.104 4.481 5.030) 6.737 1.617 ( -1.675 -1.350 4.549) 5.032 1.731 ( -1.408 0.618 -2.085) 2.590 1.760 ( 0.115 -2.547 -1.356) 2.888 1.939 ( -3.833 4.967 6.559) 9.077 2.055 ( -3.364 -5.528 6.534) 9.196 2.163 ( -3.559 2.446 6.421) 7.738 2.216 ( -6.652 -1.822 6.076) 9.191 2.329 ( -6.017 0.841 9.469) 11.251 2.351 ( -4.354 -0.025 7.290) 8.491 2.388 ( -2.176 0.254 2.306) 3.180 2.440 ( 0.048 -3.522 1.097) 3.689 2.483 ( 0.842 4.090 2.891) 5.079 2.544 ( -1.761 1.418 6.127) 6.531 2.680 ( 0.521 0.797 0.697) 1.180 2.700 ( -1.558 -0.531 5.232) 5.485 2.730 ( 0.110 -0.935 2.194) 2.388 2.804 ( 0.378 -3.949 2.817) 4.866 2.894 ( 2.338 1.290 1.306) 2.972 2.951 ( 0.120 -3.754 0.421) 3.780 3.091 ( -2.659 1.970 3.668) 4.940 3.119 ( -2.474 -0.964 3.208) 4.164 3.228 ( 1.825 3.612 1.204) 4.222 3.284 ( 1.745 -1.875 1.070) 2.776 3.366 ( 3.826 2.330 -0.312) 4.490 3.411 ( 3.092 -1.842 -1.396) 3.861 3.518 ( -1.383 3.965 -2.637) 4.958 3.581 ( 0.496 -1.208 -4.890) 5.062 3.697 ( 0.409 3.148 -3.618) 4.813 3.723 ( 0.556 3.792 -3.316) 5.068 3.797 ( -0.663 -3.836 0.415) 3.915 3.834 ( -0.604 -3.690 -0.847) 3.834 4.041 ( 2.433 0.515 -1.748) 3.040 4.060 ( 2.022 -1.064 -2.431) 3.336 4.187 ( -2.116 0.864 -2.369) 3.292 4.209 ( -0.472 -0.599 -2.102) 2.236 4.267 ( 1.288 0.486 -4.459) 4.666 4.282 ( 0.961 -0.779 -3.981) 4.169 4.318 ( -0.760 2.078 -3.045) 3.764 4.382 ( -3.014 -3.839 -4.913) 6.925 4.898 ( 1.283 0.470 2.520) 2.866 4.919 ( 1.731 -0.976 2.677) 3.334 4.976 ( 0.372 0.492 0.571) 0.841 5.003 ( -2.088 -1.582 0.406) 2.651 5.142 ( 0.542 3.240 0.535) 3.328 5.212 ( 0.249 -2.939 -0.916) 3.088 5.418 ( 0.447 4.553 -1.755) 4.900 5.471 ( -0.228 -0.171 -2.115) 2.134 6.002 ( -1.317 -0.859 1.413) 2.114 6.009 ( -2.009 -1.499 3.012) 3.919 6.162 ( 0.701 1.417 -2.068) 2.603 6.188 ( 0.655 -0.949 -2.047) 2.349 7.341 ( -2.541 1.511 3.988) 4.965 7.367 ( -1.413 -0.143 1.545) 2.098 7.403 ( -1.463 -0.556 0.991) 1.852 7.415 ( -2.584 -1.562 1.288) 3.282 8.352 ( -1.331 3.407 0.043) 3.658 8.403 ( 0.231 -1.613 -0.766) 1.800 8.441 ( -0.706 3.640 -1.284) 3.924 8.533 ( -3.326 -3.956 -3.513) 6.250 9.030 ( 1.156 0.310 2.919) 3.155 9.042 ( 1.619 -0.864 2.954) 3.477 9.096 ( 1.896 1.542 2.101) 3.223 9.125 ( 2.234 -1.073 1.759) 3.039 ======================= Grid point 84 (52/74) ======================= q-point: ( 0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -0.376 -0.616 11.639) 11.662 0.988 ( 0.539 -1.455 7.920) 8.071 1.099 ( 8.409 1.186 4.784) 9.747 1.136 ( 4.877 -0.403 7.120) 8.639 1.197 ( 3.629 -0.112 3.816) 5.268 1.252 ( 3.811 -3.194 3.960) 6.357 1.444 ( -1.195 5.024 2.869) 5.908 1.515 ( -0.852 -1.951 1.434) 2.567 1.557 ( -1.292 1.771 5.485) 5.907 1.611 ( -1.834 -2.940 1.037) 3.617 1.702 ( -0.298 2.421 -0.629) 2.519 1.759 ( 1.125 -2.496 -1.225) 2.999 1.916 ( -4.515 5.759 6.591) 9.848 2.038 ( -4.030 -5.459 6.216) 9.202 2.128 ( -5.673 1.038 7.228) 9.247 2.151 ( -6.299 -0.966 7.834) 10.098 2.310 ( -3.647 1.674 9.040) 9.890 2.349 ( -3.635 -1.089 10.046) 10.739 2.413 ( 0.824 0.791 5.157) 5.282 2.473 ( 2.442 -3.708 0.753) 4.503 2.512 ( -0.699 4.343 3.101) 5.383 2.550 ( -3.029 2.335 6.035) 7.145 2.666 ( -4.594 -1.474 3.595) 6.017 2.685 ( -0.724 -1.669 0.263) 1.838 2.755 ( -0.033 0.916 1.223) 1.528 2.808 ( -1.303 -1.454 1.186) 2.284 2.905 ( -2.635 0.405 0.741) 2.767 2.942 ( -0.793 -3.617 -0.025) 3.703 3.059 ( -3.830 0.378 2.723) 4.715 3.074 ( -4.339 -1.231 3.663) 5.810 3.300 ( 0.844 2.362 -0.801) 2.633 3.310 ( 2.551 0.900 0.216) 2.714 3.378 ( 1.797 2.171 -2.971) 4.095 3.423 ( 2.024 -2.157 -1.770) 3.447 3.548 ( 4.265 3.884 -0.054) 5.769 3.602 ( 3.017 -0.417 -1.734) 3.504 3.660 ( -1.314 3.288 -3.769) 5.171 3.707 ( 1.088 1.558 -3.614) 4.084 3.775 ( -0.969 -2.667 -0.866) 2.967 3.824 ( -0.507 -4.010 0.670) 4.097 4.068 ( 0.616 -0.483 -2.925) 3.028 4.073 ( 1.024 -0.838 -2.430) 2.767 4.150 ( 1.226 1.616 -1.620) 2.596 4.192 ( 0.797 -1.517 -2.077) 2.693 4.263 ( 0.710 0.478 -1.578) 1.795 4.281 ( 1.870 -0.757 -2.613) 3.301 4.296 ( 1.565 1.088 -3.011) 3.564 4.320 ( 0.331 -0.900 -3.829) 3.947 4.881 ( -3.337 1.565 0.497) 3.719 4.917 ( -4.290 -1.616 0.325) 4.596 4.993 ( 1.858 1.036 2.361) 3.178 5.024 ( 2.181 -1.781 0.657) 2.892 5.156 ( 0.461 2.367 0.572) 2.478 5.209 ( 0.288 -2.297 -0.923) 2.492 5.400 ( -1.105 2.351 -0.958) 2.769 5.426 ( -2.770 0.092 -1.906) 3.364 5.987 ( -1.809 -0.332 2.197) 2.865 5.996 ( -2.138 -1.083 3.136) 3.947 6.157 ( 0.576 1.314 -1.958) 2.427 6.183 ( 0.468 -0.962 -1.783) 2.079 7.319 ( -3.624 1.199 4.647) 6.013 7.347 ( -2.899 -1.169 3.215) 4.484 7.375 ( -2.153 0.503 1.672) 2.772 7.391 ( -1.230 -0.745 0.948) 1.722 8.314 ( -2.985 3.873 1.535) 5.125 8.392 ( -1.484 -2.675 -0.310) 3.075 8.441 ( 0.247 0.395 -0.357) 0.587 8.460 ( -1.234 -0.984 -1.214) 1.991 9.074 ( 1.544 0.554 1.673) 2.343 9.086 ( 1.678 -0.514 0.860) 1.955 9.168 ( 4.065 0.838 0.725) 4.213 9.188 ( 3.742 -0.943 -0.318) 3.872 ======================= Grid point 85 (53/74) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -3.213 0.620 8.168) 8.799 1.052 ( -2.039 -3.969 9.318) 10.331 1.227 ( 3.491 0.688 -0.567) 3.603 1.256 ( 4.920 -1.643 0.780) 5.245 1.320 ( 4.500 1.737 3.005) 5.683 1.353 ( 4.372 -1.235 1.996) 4.962 1.449 ( 0.072 4.733 1.782) 5.058 1.510 ( -0.349 -0.593 0.540) 0.875 1.558 ( -2.522 -1.200 2.494) 3.745 1.577 ( -2.333 -3.244 1.318) 4.208 1.704 ( 0.463 2.785 -1.083) 3.024 1.767 ( -0.102 -2.777 -1.244) 3.045 1.896 ( -3.192 6.642 7.744) 10.690 2.027 ( -2.556 -5.106 7.148) 9.149 2.108 ( -2.603 1.070 7.543) 8.051 2.126 ( -3.519 -0.678 8.865) 9.562 2.327 ( -4.303 1.895 11.147) 12.098 2.376 ( -3.271 -2.479 11.109) 11.843 2.457 ( -1.069 1.868 5.320) 5.738 2.515 ( -1.337 -1.789 4.940) 5.422 2.520 ( 1.174 3.126 0.410) 3.365 2.561 ( -0.325 1.783 5.072) 5.386 2.613 ( -4.375 -0.927 4.804) 6.563 2.662 ( -1.914 -4.802 0.724) 5.220 2.741 ( -0.861 2.879 -2.169) 3.706 2.779 ( -2.534 0.043 -0.202) 2.542 2.849 ( -3.951 1.281 1.730) 4.500 2.909 ( -2.261 -4.180 -0.970) 4.850 3.002 ( -4.186 -0.159 1.436) 4.428 3.030 ( -3.650 -2.760 3.316) 5.651 3.256 ( -0.602 4.734 -4.678) 6.683 3.326 ( 1.353 -1.628 -3.505) 4.095 3.457 ( 5.446 2.231 0.015) 5.885 3.481 ( 3.608 -0.351 0.472) 3.656 3.582 ( -1.744 3.960 -3.303) 5.444 3.607 ( 0.918 2.320 0.656) 2.579 3.651 ( 2.434 -0.227 -2.604) 3.572 3.679 ( -1.175 -2.050 -2.303) 3.299 3.767 ( 0.538 -0.068 -0.996) 1.134 3.829 ( 0.121 -3.754 1.732) 4.136 4.033 ( -0.228 0.249 -3.460) 3.477 4.058 ( 0.353 -1.367 -2.873) 3.201 4.179 ( 1.937 0.879 -2.000) 2.920 4.201 ( 1.924 -0.603 -2.044) 2.871 4.274 ( 0.655 0.080 -0.622) 0.907 4.285 ( 1.170 -1.015 -0.732) 1.714 4.330 ( 4.070 1.071 -2.145) 4.724 4.344 ( 3.809 -0.003 -1.693) 4.168 4.816 ( -3.462 0.891 -0.190) 3.580 4.832 ( -4.490 -0.543 -0.093) 4.523 5.035 ( 0.503 0.435 1.878) 1.992 5.052 ( 0.385 -1.195 0.110) 1.261 5.167 ( -0.027 1.556 1.144) 1.931 5.207 ( 0.031 -1.969 -0.351) 2.000 5.355 ( -3.096 1.553 -1.566) 3.801 5.368 ( -1.521 0.328 -0.883) 1.789 5.974 ( -1.781 0.025 2.651) 3.194 5.984 ( -2.037 -0.847 3.421) 4.071 6.153 ( 0.652 1.244 -1.855) 2.327 6.179 ( 0.584 -1.049 -1.488) 1.912 7.290 ( -3.824 1.478 5.190) 6.614 7.324 ( -3.262 -1.532 5.106) 6.250 7.358 ( -1.182 0.992 1.038) 1.860 7.380 ( -0.874 -0.974 0.878) 1.576 8.284 ( -2.319 2.837 3.073) 4.782 8.349 ( -2.519 -2.954 1.062) 4.025 8.441 ( 0.861 1.365 -0.338) 1.649 8.468 ( 0.795 -0.996 0.490) 1.365 9.108 ( 1.232 0.605 0.310) 1.407 9.118 ( 1.782 -0.271 -0.790) 1.968 9.235 ( 3.165 0.085 -0.813) 3.269 9.242 ( 3.134 -0.479 -2.171) 3.843 ======================= Grid point 86 (54/74) ======================= q-point: (-0.62 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -4.361 0.735 7.704) 8.883 1.061 ( -4.524 -5.237 8.349) 10.844 1.258 ( 0.466 3.041 -0.373) 3.099 1.306 ( 0.808 -1.176 -0.035) 1.427 1.384 ( 1.861 1.887 -0.487) 2.694 1.417 ( 1.732 -1.241 0.971) 2.341 1.464 ( -1.440 3.447 2.300) 4.386 1.488 ( -1.705 1.120 -0.736) 2.168 1.531 ( -0.490 -2.806 -1.593) 3.263 1.560 ( -1.577 -4.510 3.003) 5.643 1.670 ( -2.420 3.572 -2.320) 4.899 1.733 ( -1.657 -2.282 -1.585) 3.235 1.929 ( -1.731 6.119 8.903) 10.940 2.060 ( -1.134 -5.190 7.838) 9.469 2.149 ( 0.365 0.835 6.406) 6.471 2.160 ( -1.309 -0.232 8.539) 8.641 2.325 ( -5.211 2.777 11.186) 12.649 2.386 ( -4.907 -2.963 10.547) 12.004 2.481 ( -1.595 0.748 5.888) 6.146 2.513 ( -2.322 -1.425 3.026) 4.071 2.541 ( -1.003 0.507 4.168) 4.317 2.561 ( -3.496 -1.052 3.473) 5.039 2.621 ( -0.475 2.101 7.183) 7.499 2.653 ( -0.743 -1.350 2.743) 3.146 2.706 ( -0.170 1.475 -2.671) 3.056 2.728 ( -2.239 0.215 -0.407) 2.286 2.801 ( -2.719 1.946 1.694) 3.748 2.864 ( -1.125 -3.532 -1.424) 3.971 2.942 ( -3.191 0.828 0.828) 3.399 2.997 ( -2.036 -4.253 0.844) 4.790 3.223 ( 0.733 5.468 -3.706) 6.646 3.326 ( 1.803 -4.242 -3.405) 5.730 3.482 ( -2.817 2.836 -3.211) 5.127 3.503 ( -1.382 0.548 -3.963) 4.233 3.543 ( 0.229 5.656 2.187) 6.068 3.627 ( 0.553 0.978 -1.500) 1.874 3.646 ( 3.576 -1.597 -2.750) 4.785 3.690 ( 0.599 -3.805 1.667) 4.197 3.758 ( -0.578 2.645 -1.191) 2.958 3.854 ( 0.820 -4.551 1.544) 4.875 4.027 ( 2.066 1.261 -1.461) 2.827 4.066 ( 2.729 -1.795 -1.335) 3.529 4.184 ( 1.251 1.641 -2.959) 3.607 4.215 ( 1.099 -1.258 -1.987) 2.596 4.270 ( -0.073 1.080 -0.930) 1.427 4.305 ( 0.929 -2.309 -0.910) 2.650 4.381 ( 3.025 1.264 -2.636) 4.206 4.395 ( 3.100 0.329 -2.485) 3.986 4.779 ( -0.726 0.231 0.951) 1.219 4.782 ( -0.841 -0.030 1.627) 1.831 5.027 ( -2.213 0.356 -0.552) 2.309 5.042 ( -1.638 -1.056 0.570) 2.031 5.171 ( -0.869 0.883 1.633) 2.050 5.204 ( -0.543 -1.916 0.969) 2.215 5.306 ( -0.552 2.707 -1.945) 3.378 5.338 ( -0.623 -0.360 -1.446) 1.616 5.968 ( -1.277 0.176 2.752) 3.039 5.980 ( -1.546 -0.860 3.593) 4.005 6.151 ( 0.796 1.316 -1.850) 2.406 6.180 ( 0.808 -1.198 -1.502) 2.084 7.268 ( -3.249 1.914 5.402) 6.588 7.312 ( -2.811 -1.940 5.565) 6.530 7.349 ( -0.537 1.173 0.753) 1.494 7.375 ( -0.296 -1.172 0.815) 1.458 8.279 ( -1.359 2.736 3.910) 4.961 8.341 ( -0.201 -2.716 3.141) 4.157 8.459 ( 1.125 1.291 -0.041) 1.713 8.487 ( 0.817 -1.082 0.746) 1.548 9.120 ( 0.067 0.818 -0.328) 0.883 9.135 ( 0.981 -0.480 -1.368) 1.751 9.261 ( 1.245 -0.148 -2.759) 3.030 9.262 ( 1.311 -0.246 -2.911) 3.203 ======================= Grid point 87 (55/74) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -6.972 1.292 7.954) 10.656 1.034 ( -5.115 -5.848 7.291) 10.655 1.238 ( -3.769 4.089 2.328) 6.028 1.286 ( -3.430 -1.161 0.608) 3.672 1.354 ( -8.170 0.772 1.486) 8.340 1.368 ( -6.378 0.687 0.943) 6.484 1.439 ( -1.170 0.401 -2.161) 2.490 1.489 ( -2.755 -2.493 -0.863) 3.815 1.516 ( 3.904 2.258 1.514) 4.757 1.587 ( 1.083 -3.557 3.184) 4.896 1.626 ( 1.774 4.192 -3.316) 5.632 1.703 ( -0.087 -2.548 -1.336) 2.878 1.941 ( -4.753 5.395 8.787) 11.354 2.080 ( -3.842 -6.614 7.489) 10.705 2.177 ( -2.855 1.540 4.866) 5.848 2.204 ( -0.210 -0.931 5.986) 6.062 2.334 ( -3.859 2.260 11.134) 11.998 2.382 ( -4.918 -1.999 10.540) 11.801 2.481 ( -2.469 -0.558 4.435) 5.107 2.492 ( -2.740 -0.470 4.472) 5.265 2.538 ( -1.424 0.477 1.182) 1.911 2.548 ( -1.501 -0.142 4.430) 4.680 2.653 ( -1.037 1.208 2.144) 2.670 2.680 ( -0.585 2.120 5.969) 6.361 2.695 ( -1.074 -2.250 2.262) 3.366 2.710 ( -1.511 -0.737 4.734) 5.024 2.787 ( 0.143 2.832 0.421) 2.867 2.853 ( 0.704 -3.100 -1.330) 3.446 2.905 ( -0.817 1.706 -0.383) 1.930 2.974 ( -0.320 -4.694 -0.258) 4.712 3.224 ( 1.451 5.764 -1.708) 6.185 3.330 ( -0.149 -4.253 -1.739) 4.597 3.370 ( -4.456 3.107 -4.663) 7.159 3.418 ( -3.541 -1.519 -3.213) 5.017 3.556 ( -1.094 5.644 2.816) 6.402 3.646 ( 1.385 0.467 -2.351) 2.769 3.669 ( 3.258 0.997 -2.788) 4.402 3.724 ( -0.759 -3.026 2.836) 4.216 3.743 ( 2.123 2.226 -2.414) 3.910 3.869 ( 0.030 -5.906 0.136) 5.908 4.081 ( 3.800 2.053 0.701) 4.376 4.129 ( 4.082 -2.176 0.101) 4.627 4.180 ( 0.555 1.670 -2.231) 2.842 4.205 ( -0.487 -0.670 -1.811) 1.991 4.265 ( 1.160 0.866 -1.660) 2.203 4.301 ( 0.984 -2.529 -3.439) 4.381 4.388 ( 1.069 1.792 -4.130) 4.627 4.416 ( 2.577 -0.259 -3.541) 4.387 4.808 ( 2.083 0.904 2.394) 3.300 4.829 ( 2.793 -0.915 3.653) 4.689 4.962 ( -3.779 1.265 -1.158) 4.150 4.999 ( -3.181 -1.899 -0.411) 3.727 5.158 ( -1.873 1.274 1.459) 2.694 5.205 ( -0.465 -2.842 1.535) 3.264 5.306 ( 2.104 2.748 -2.174) 4.087 5.330 ( 1.370 0.460 -1.798) 2.306 5.973 ( -0.492 0.113 2.614) 2.662 5.987 ( -0.911 -1.044 3.641) 3.896 6.152 ( 0.953 1.441 -2.015) 2.654 6.182 ( 0.975 -1.295 -1.843) 2.454 7.261 ( -2.203 2.225 5.306) 6.161 7.313 ( -1.813 -2.336 5.350) 6.113 7.352 ( 0.262 1.394 0.709) 1.586 7.384 ( 0.460 -1.390 0.909) 1.723 8.299 ( -0.047 3.601 4.329) 5.631 8.382 ( 1.335 -3.752 3.508) 5.308 8.477 ( 0.967 1.661 -0.025) 1.922 8.508 ( 0.859 -1.101 0.623) 1.529 9.104 ( -1.629 1.177 0.050) 2.010 9.130 ( -0.676 -1.026 -0.690) 1.409 9.234 ( -1.513 0.209 -3.198) 3.544 9.242 ( -0.348 -0.406 -4.197) 4.231 ======================= Grid point 88 (56/74) ======================= q-point: (-0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -7.021 2.708 9.177) 11.868 0.996 ( -5.558 -6.513 6.016) 10.464 1.104 ( -13.511 1.962 1.433) 13.728 1.142 ( -13.796 -1.355 2.195) 14.035 1.235 ( -4.900 1.314 3.637) 6.243 1.259 ( -6.321 -0.126 4.594) 7.815 1.404 ( -2.381 0.813 0.798) 2.639 1.434 ( -2.743 -0.349 0.238) 2.775 1.576 ( -1.241 1.367 2.393) 3.023 1.591 ( -0.485 1.516 3.551) 3.892 1.703 ( 5.565 -0.577 -1.414) 5.771 1.721 ( 2.998 -1.874 -0.703) 3.605 1.924 ( -4.070 4.433 8.578) 10.479 2.058 ( -4.466 -7.320 7.495) 11.389 2.151 ( -3.564 4.427 4.849) 7.471 2.245 ( -0.573 -4.105 6.517) 7.724 2.350 ( -3.722 1.768 9.690) 10.530 2.378 ( -4.023 -0.670 8.647) 9.561 2.471 ( -1.979 0.794 2.299) 3.135 2.493 ( -1.659 -1.011 4.238) 4.663 2.514 ( -1.610 2.827 2.546) 4.131 2.579 ( 0.226 -2.446 4.355) 4.999 2.640 ( -2.695 0.991 3.553) 4.568 2.668 ( -2.446 -0.797 2.184) 3.375 2.709 ( -1.668 0.678 4.092) 4.470 2.723 ( -1.669 -1.085 3.407) 3.946 2.788 ( -1.383 1.340 1.196) 2.267 2.844 ( 0.095 -3.370 -1.745) 3.797 2.940 ( 4.378 2.636 1.181) 5.245 3.007 ( 3.335 -3.677 2.124) 5.399 3.194 ( -4.243 4.686 -2.126) 6.669 3.274 ( -1.501 -0.591 -1.103) 1.954 3.304 ( -1.804 1.071 -2.174) 3.021 3.362 ( -0.864 -1.933 -0.775) 2.255 3.563 ( 0.265 4.476 1.192) 4.639 3.649 ( 1.953 -1.330 -2.399) 3.367 3.712 ( 0.290 4.831 -2.033) 5.250 3.720 ( 3.238 2.909 -1.519) 4.610 3.781 ( 1.454 -4.623 0.970) 4.942 3.860 ( -0.594 -5.875 -0.546) 5.931 4.128 ( 0.019 0.886 -2.158) 2.333 4.148 ( -0.844 -0.704 -2.743) 2.955 4.179 ( 2.101 2.554 0.199) 3.313 4.228 ( 3.214 -2.013 0.197) 3.797 4.281 ( 1.822 0.034 -2.530) 3.119 4.299 ( 2.359 -1.562 -4.424) 5.251 4.374 ( 1.139 3.670 -3.444) 5.160 4.451 ( 4.369 -2.899 -2.660) 5.880 4.859 ( -0.268 0.663 1.353) 1.531 4.869 ( -1.987 -0.163 -0.311) 2.018 4.931 ( 0.795 -0.578 2.212) 2.420 4.936 ( -0.890 -0.938 0.795) 1.518 5.136 ( -1.516 2.360 1.267) 3.078 5.210 ( -0.090 -4.227 0.848) 4.312 5.337 ( 3.185 3.384 -2.230) 5.154 5.360 ( 3.312 1.413 -1.548) 3.919 5.989 ( -0.023 -0.194 2.212) 2.220 6.003 ( -0.593 -1.385 3.548) 3.854 6.154 ( 1.161 1.528 -2.187) 2.910 6.185 ( 1.123 -1.289 -2.172) 2.764 7.276 ( -0.744 2.434 5.127) 5.724 7.335 ( -0.168 -2.622 4.545) 5.250 7.368 ( 0.690 1.367 1.001) 1.829 7.403 ( 0.605 -1.535 1.035) 1.948 8.339 ( 0.676 4.056 3.452) 5.369 8.422 ( 0.751 -2.944 0.714) 3.121 8.500 ( 1.094 0.783 0.274) 1.373 8.529 ( 1.754 -0.972 0.299) 2.027 9.066 ( -3.075 1.241 1.172) 3.518 9.098 ( -2.928 -1.718 0.512) 3.433 9.166 ( -2.968 1.167 -2.773) 4.226 9.186 ( -2.117 -0.784 -3.744) 4.372 ======================= Grid point 89 (57/74) ======================= q-point: (-0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -13.023 0.340 5.975) 14.333 0.844 ( -12.629 -2.055 5.286) 13.844 0.912 ( -8.177 3.541 9.042) 12.695 1.018 ( -4.054 -5.308 8.462) 10.780 1.168 ( -6.846 0.454 6.767) 9.637 1.210 ( -5.843 -2.561 7.529) 9.869 1.377 ( -2.255 3.818 4.371) 6.226 1.413 ( -0.528 0.776 2.336) 2.517 1.550 ( -3.570 1.713 3.973) 5.609 1.605 ( -1.892 -0.305 4.894) 5.256 1.759 ( 2.059 -1.990 -1.592) 3.276 1.767 ( 1.989 -0.989 -1.177) 2.514 1.935 ( -2.309 4.154 7.681) 9.032 2.050 ( -3.196 -6.239 7.486) 10.256 2.143 ( -2.093 6.025 5.872) 8.669 2.280 ( -1.758 -6.275 6.519) 9.217 2.357 ( -3.736 0.490 8.668) 9.451 2.375 ( -3.149 -0.621 6.997) 7.698 2.450 ( -1.413 3.773 0.973) 4.145 2.485 ( -2.123 -0.325 2.598) 3.370 2.511 ( -3.642 2.562 5.478) 7.060 2.602 ( -2.494 -2.565 3.209) 4.805 2.632 ( -0.268 -0.155 3.168) 3.183 2.641 ( -1.565 2.046 0.055) 2.576 2.688 ( -2.216 -0.878 2.785) 3.666 2.723 ( -0.508 -0.971 3.499) 3.667 2.780 ( -0.279 1.475 2.822) 3.196 2.860 ( 2.684 -5.691 -0.010) 6.292 3.051 ( 5.269 2.931 1.956) 6.339 3.101 ( 2.995 -1.667 3.793) 5.113 3.126 ( -0.500 2.924 -0.118) 2.969 3.195 ( -3.808 -3.248 -0.002) 5.005 3.317 ( 2.025 2.041 -1.165) 3.103 3.338 ( -1.427 0.289 -0.201) 1.470 3.583 ( 1.053 4.205 -0.019) 4.335 3.679 ( 2.557 -2.278 -1.686) 3.817 3.708 ( 1.696 5.105 -3.457) 6.394 3.729 ( 0.083 1.645 -4.170) 4.484 3.795 ( -0.735 -3.754 0.927) 3.936 3.856 ( 0.217 -4.078 0.358) 4.099 4.084 ( -1.227 0.442 -3.656) 3.882 4.105 ( -0.852 -0.885 -3.889) 4.079 4.218 ( 1.254 1.979 0.060) 2.343 4.260 ( 0.362 -1.744 -0.545) 1.862 4.286 ( 1.954 0.718 -4.341) 4.815 4.305 ( 2.255 -0.961 -4.891) 5.471 4.375 ( 0.437 5.040 -1.184) 5.195 4.515 ( 3.840 -7.647 -3.275) 9.162 4.809 ( -1.653 0.744 -0.218) 1.826 4.840 ( -1.320 -1.795 -0.008) 2.228 4.944 ( 0.875 2.909 2.262) 3.788 5.002 ( 1.612 -2.484 2.957) 4.185 5.127 ( -0.628 3.402 1.126) 3.639 5.214 ( 0.099 -4.384 0.026) 4.386 5.378 ( 3.327 4.741 -2.573) 6.338 5.415 ( 3.893 1.390 -1.377) 4.357 6.004 ( -0.127 -0.643 1.639) 1.765 6.017 ( -0.916 -1.801 3.236) 3.815 6.159 ( 1.302 1.524 -2.199) 2.975 6.188 ( 1.176 -1.162 -2.267) 2.806 7.312 ( 0.118 2.528 4.692) 5.332 7.367 ( 0.237 -0.775 2.088) 2.239 7.396 ( 1.212 -1.204 2.066) 2.681 7.418 ( 0.119 -1.407 1.112) 1.797 8.364 ( -0.069 3.178 1.007) 3.334 8.422 ( -0.137 -1.590 -1.209) 2.002 8.502 ( 0.115 3.392 -1.414) 3.677 8.585 ( 3.552 -3.222 -0.976) 4.893 9.020 ( -3.377 0.508 2.290) 4.112 9.033 ( -4.008 -0.619 0.654) 4.108 9.107 ( -2.657 0.471 0.980) 2.871 9.119 ( -2.768 -0.512 -1.069) 3.011 ======================= Grid point 90 (58/74) ======================= q-point: (-0.12 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -4.974 0.204 10.370) 11.503 0.727 ( -4.127 -3.172 9.288) 10.647 0.928 ( -2.734 4.823 13.026) 14.157 1.029 ( -3.809 -2.535 9.378) 10.435 1.123 ( -4.210 -2.209 8.744) 9.953 1.160 ( -6.053 -4.111 8.115) 10.927 1.393 ( 0.171 4.709 3.799) 6.053 1.455 ( 1.320 0.429 5.599) 5.768 1.522 ( -3.329 2.707 4.944) 6.546 1.610 ( -2.226 -0.506 5.805) 6.237 1.764 ( 0.111 -1.804 -1.946) 2.656 1.769 ( 0.115 -1.795 -1.636) 2.432 1.948 ( -2.904 4.372 6.729) 8.534 2.055 ( -2.829 -5.349 7.081) 9.314 2.158 ( -1.736 4.928 5.838) 7.835 2.272 ( -4.334 -4.930 5.283) 8.426 2.353 ( -4.660 0.194 8.994) 10.132 2.372 ( -3.614 -0.457 6.611) 7.549 2.434 ( -2.560 -0.244 2.262) 3.424 2.456 ( -2.977 -1.133 1.822) 3.669 2.472 ( -3.111 4.831 2.930) 6.450 2.545 ( -3.211 3.437 2.197) 5.191 2.651 ( 0.666 -0.579 3.849) 3.949 2.662 ( 0.402 0.979 2.662) 2.865 2.712 ( 0.787 -2.412 2.838) 3.807 2.756 ( 0.689 -4.381 4.630) 6.411 2.830 ( 2.882 2.872 2.185) 4.619 2.920 ( 2.588 -5.901 1.125) 6.542 3.094 ( -0.183 2.022 1.583) 2.574 3.114 ( -0.929 -0.063 1.763) 1.994 3.196 ( 1.609 2.161 3.863) 4.710 3.227 ( 4.500 -0.874 2.735) 5.338 3.307 ( 0.045 2.424 -0.847) 2.568 3.355 ( 3.401 -1.731 -1.810) 4.224 3.577 ( -1.603 3.829 -1.544) 4.429 3.649 ( -2.196 -0.890 -4.954) 5.491 3.710 ( 1.852 1.172 -4.203) 4.740 3.725 ( 1.715 4.104 -2.630) 5.167 3.789 ( 0.068 -2.978 0.951) 3.126 3.854 ( -0.667 -3.381 -0.334) 3.462 4.041 ( -0.198 0.418 -3.185) 3.218 4.064 ( 0.075 -1.227 -3.642) 3.844 4.222 ( -0.214 1.111 -1.047) 1.542 4.242 ( -1.312 -0.429 -1.420) 1.980 4.282 ( 1.750 0.899 -5.228) 5.586 4.299 ( 1.312 -0.736 -4.796) 5.026 4.356 ( -1.126 3.721 -1.718) 4.250 4.485 ( -2.708 -7.854 -5.628) 10.035 4.832 ( 2.721 0.484 2.169) 3.513 4.858 ( 2.256 -1.780 1.748) 3.363 4.968 ( -0.014 2.822 1.652) 3.270 5.027 ( -0.864 -2.727 1.637) 3.296 5.130 ( 0.116 3.746 0.832) 3.839 5.214 ( 0.154 -3.706 -0.576) 3.754 5.410 ( 2.326 5.514 -2.550) 6.505 5.464 ( 2.590 0.627 -1.731) 3.177 6.009 ( -0.553 -1.025 1.161) 1.645 6.019 ( -1.649 -1.854 3.030) 3.917 6.163 ( 1.072 1.468 -2.140) 2.808 6.190 ( 0.992 -1.007 -2.192) 2.608 7.341 ( -0.930 2.158 3.990) 4.630 7.375 ( -0.698 0.287 1.351) 1.548 7.414 ( -0.555 -0.891 0.869) 1.363 7.433 ( -0.065 -2.771 1.203) 3.022 8.362 ( -0.149 2.399 -0.245) 2.416 8.408 ( -0.061 -1.671 -1.344) 2.145 8.480 ( -1.055 5.942 -2.458) 6.517 8.601 ( -0.023 -4.534 -4.104) 6.115 8.994 ( -0.636 0.461 2.956) 3.059 9.006 ( -1.033 -0.614 3.384) 3.591 9.077 ( -1.589 0.808 2.307) 2.915 9.094 ( -0.792 -0.720 2.395) 2.624 ======================= Grid point 99 (59/74) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 5.678 0.000 7.130) 9.114 1.074 ( -3.393 0.000 1.092) 3.565 1.083 ( 4.475 0.000 8.241) 9.378 1.192 ( -2.783 0.000 8.334) 8.786 1.210 ( -2.430 0.000 -2.431) 3.437 1.316 ( 0.493 0.000 -1.870) 1.934 1.474 ( -3.198 0.000 7.299) 7.968 1.529 ( 4.431 0.000 -0.130) 4.432 1.560 ( -1.085 0.000 1.727) 2.039 1.643 ( 1.400 0.000 -3.918) 4.161 1.675 ( -0.641 0.000 -0.376) 0.744 1.730 ( -0.255 0.000 -4.246) 4.254 2.087 ( -7.062 0.000 11.212) 13.251 2.219 ( 2.623 0.000 0.063) 2.624 2.251 ( -3.811 0.000 4.796) 6.126 2.312 ( 0.090 0.000 -2.106) 2.108 2.328 ( -4.663 0.000 4.210) 6.283 2.384 ( 3.501 0.000 -1.226) 3.709 2.482 ( -1.849 0.000 0.937) 2.073 2.495 ( 1.580 0.000 1.786) 2.384 2.592 ( -1.970 0.000 7.645) 7.895 2.640 ( -1.751 0.000 2.399) 2.970 2.663 ( -1.885 0.000 0.152) 1.891 2.729 ( 2.231 0.000 -3.888) 4.483 2.814 ( 1.501 0.000 2.414) 2.842 2.830 ( -2.200 0.000 0.620) 2.286 2.977 ( 1.272 0.000 2.409) 2.724 3.018 ( -0.698 0.000 -1.610) 1.754 3.162 ( 0.159 0.000 7.365) 7.366 3.215 ( -5.896 0.000 4.208) 7.244 3.215 ( 4.285 0.000 2.493) 4.958 3.294 ( -2.081 0.000 -4.820) 5.250 3.325 ( -1.848 0.000 0.835) 2.028 3.389 ( 4.126 0.000 -3.294) 5.280 3.445 ( -1.441 0.000 1.429) 2.029 3.506 ( 4.867 0.000 -2.916) 5.673 3.572 ( 0.691 0.000 -2.506) 2.600 3.595 ( -0.666 0.000 -3.438) 3.502 3.875 ( -3.194 0.000 1.609) 3.576 3.893 ( 1.300 0.000 0.222) 1.319 4.034 ( 1.571 0.000 -0.569) 1.671 4.035 ( 1.596 0.000 1.123) 1.952 4.127 ( -1.224 0.000 -1.964) 2.314 4.179 ( 2.074 0.000 -1.105) 2.350 4.179 ( -1.865 0.000 -2.708) 3.288 4.212 ( 0.107 0.000 -5.034) 5.035 4.264 ( 0.913 0.000 0.708) 1.155 4.309 ( -1.803 0.000 -4.019) 4.405 4.928 ( -3.266 0.000 0.996) 3.414 4.943 ( 4.264 0.000 -0.197) 4.268 4.981 ( 3.692 0.000 1.305) 3.915 5.008 ( -3.858 0.000 -1.033) 3.994 5.151 ( 0.016 0.000 2.400) 2.400 5.200 ( 0.179 0.000 -2.416) 2.422 5.391 ( 0.515 0.000 2.351) 2.407 5.439 ( -0.480 0.000 -2.066) 2.121 6.041 ( -1.328 0.000 2.195) 2.565 6.093 ( -2.022 0.000 2.945) 3.573 6.093 ( 1.245 0.000 -2.715) 2.987 6.150 ( 1.361 0.000 -2.661) 2.989 7.383 ( -0.482 0.000 0.889) 1.011 7.384 ( -0.814 0.000 1.181) 1.435 7.432 ( -0.864 0.000 0.968) 1.297 7.443 ( -0.857 0.000 -0.078) 0.861 8.341 ( -1.887 0.000 1.980) 2.735 8.378 ( 0.925 0.000 -1.655) 1.896 8.437 ( 1.885 0.000 1.979) 2.733 8.496 ( -2.554 0.000 -3.623) 4.433 9.073 ( 0.862 0.000 1.616) 1.831 9.089 ( -0.622 0.000 0.139) 0.637 9.123 ( 1.391 0.000 2.308) 2.694 9.150 ( 0.739 0.000 -0.331) 0.810 ======================= Grid point 100 (60/74) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.048 0.000 -3.233) 3.233 1.156 ( 1.737 0.000 -6.855) 7.072 1.163 ( 7.139 0.000 1.592) 7.314 1.236 ( -0.924 0.000 8.242) 8.293 1.237 ( 5.213 0.000 4.773) 7.068 1.320 ( 3.190 0.000 -2.602) 4.116 1.432 ( -4.394 0.000 1.584) 4.671 1.561 ( -1.611 0.000 3.354) 3.721 1.590 ( -0.393 0.000 -1.388) 1.443 1.604 ( 2.194 0.000 -5.310) 5.745 1.683 ( -0.379 0.000 3.147) 3.170 1.726 ( 2.602 0.000 -3.615) 4.454 2.051 ( -6.343 0.000 11.087) 12.774 2.206 ( -3.459 0.000 2.055) 4.023 2.219 ( -3.573 0.000 5.160) 6.276 2.303 ( -2.889 0.000 4.878) 5.669 2.356 ( 5.491 0.000 -1.024) 5.586 2.444 ( 3.515 0.000 -0.344) 3.532 2.482 ( 2.005 0.000 -1.970) 2.811 2.553 ( 1.044 0.000 3.977) 4.111 2.564 ( -4.470 0.000 3.657) 5.775 2.600 ( -2.836 0.000 2.076) 3.515 2.667 ( 0.090 0.000 1.650) 1.652 2.728 ( -0.879 0.000 -1.183) 1.474 2.779 ( -2.711 0.000 -0.767) 2.817 2.822 ( -2.498 0.000 1.450) 2.889 2.983 ( -1.950 0.000 -2.399) 3.092 3.000 ( -0.642 0.000 2.835) 2.907 3.133 ( -6.238 0.000 6.897) 9.299 3.166 ( -4.806 0.000 -5.735) 7.483 3.182 ( -3.490 0.000 2.433) 4.254 3.295 ( -1.596 0.000 0.388) 1.643 3.327 ( 5.431 0.000 1.106) 5.542 3.449 ( 4.208 0.000 -2.773) 5.040 3.482 ( 2.713 0.000 -0.005) 2.713 3.555 ( 3.939 0.000 -7.609) 8.568 3.566 ( 0.936 0.000 -0.041) 0.936 3.579 ( 0.906 0.000 0.635) 1.106 3.836 ( -2.501 0.000 1.463) 2.897 3.915 ( 0.093 0.000 2.539) 2.541 4.027 ( -0.891 0.000 -2.779) 2.918 4.031 ( -0.496 0.000 -1.761) 1.829 4.139 ( -0.298 0.000 -2.169) 2.189 4.155 ( 2.741 0.000 3.522) 4.463 4.211 ( 2.979 0.000 -2.961) 4.201 4.223 ( 3.544 0.000 -0.620) 3.598 4.267 ( -0.667 0.000 -1.674) 1.802 4.304 ( 2.064 0.000 2.282) 3.077 4.864 ( -3.977 0.000 -0.086) 3.978 4.921 ( -4.778 0.000 -0.920) 4.865 5.000 ( 2.679 0.000 -1.566) 3.103 5.046 ( 2.234 0.000 1.596) 2.746 5.171 ( 0.187 0.000 2.250) 2.258 5.186 ( 0.593 0.000 -2.576) 2.643 5.390 ( -2.879 0.000 -1.964) 3.485 5.401 ( -1.360 0.000 1.954) 2.381 6.033 ( -1.644 0.000 2.603) 3.078 6.081 ( -2.144 0.000 3.409) 4.027 6.093 ( 1.079 0.000 -2.558) 2.776 6.154 ( 1.186 0.000 -2.216) 2.514 7.370 ( -1.886 0.000 1.621) 2.487 7.376 ( -1.150 0.000 1.032) 1.546 7.426 ( -1.011 0.000 1.502) 1.811 7.431 ( -1.083 0.000 1.675) 1.995 8.330 ( -1.544 0.000 2.898) 3.284 8.388 ( 1.411 0.000 -1.117) 1.800 8.423 ( -2.609 0.000 -1.927) 3.243 8.485 ( 1.116 0.000 2.756) 2.974 9.080 ( 0.311 0.000 -1.230) 1.269 9.095 ( 0.587 0.000 0.779) 0.975 9.166 ( 2.100 0.000 -2.635) 3.370 9.174 ( 2.992 0.000 -0.166) 2.997 ======================= Grid point 101 (61/74) ======================= q-point: ( 0.25 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 3.654 0.000 -2.619) 4.496 1.173 ( 5.649 0.000 -5.309) 7.753 1.226 ( 1.079 0.000 -3.266) 3.439 1.274 ( -1.129 0.000 4.541) 4.679 1.314 ( 3.778 0.000 -2.262) 4.404 1.367 ( -2.394 0.000 -1.486) 2.818 1.419 ( 5.649 0.000 0.346) 5.659 1.530 ( -0.787 0.000 -4.002) 4.078 1.541 ( -3.608 0.000 2.980) 4.679 1.621 ( 0.299 0.000 -2.275) 2.295 1.693 ( -1.671 0.000 3.847) 4.194 1.727 ( 0.439 0.000 -4.093) 4.117 2.050 ( -3.466 0.000 11.076) 11.605 2.187 ( -0.991 0.000 3.486) 3.624 2.228 ( -0.799 0.000 7.743) 7.784 2.301 ( -1.746 0.000 5.000) 5.296 2.430 ( 4.924 0.000 -5.732) 7.557 2.465 ( -2.894 0.000 3.082) 4.228 2.514 ( 2.767 0.000 -1.545) 3.169 2.534 ( 1.199 0.000 -0.536) 1.313 2.594 ( -0.738 0.000 4.657) 4.715 2.610 ( 2.193 0.000 -0.496) 2.248 2.648 ( -3.477 0.000 2.455) 4.257 2.699 ( -2.200 0.000 1.178) 2.496 2.735 ( -1.161 0.000 0.654) 1.333 2.777 ( -3.220 0.000 3.130) 4.491 2.913 ( -2.959 0.000 -3.192) 4.353 2.981 ( -5.171 0.000 4.665) 6.965 3.061 ( -1.345 0.000 -6.095) 6.242 3.073 ( -6.884 0.000 5.311) 8.695 3.133 ( -2.653 0.000 1.314) 2.960 3.294 ( 2.931 0.000 -1.757) 3.417 3.397 ( 2.064 0.000 -3.061) 3.692 3.467 ( 0.408 0.000 -3.603) 3.626 3.500 ( -0.037 0.000 1.397) 1.398 3.559 ( 2.166 0.000 -4.206) 4.731 3.593 ( 1.352 0.000 -1.153) 1.777 3.629 ( 2.852 0.000 0.615) 2.918 3.818 ( -0.511 0.000 2.441) 2.494 3.943 ( 0.439 0.000 3.943) 3.968 4.001 ( -0.140 0.000 -1.379) 1.386 4.021 ( 0.927 0.000 -0.727) 1.178 4.125 ( 0.093 0.000 -1.103) 1.107 4.224 ( 1.313 0.000 3.062) 3.332 4.237 ( 0.887 0.000 -2.330) 2.493 4.260 ( 2.075 0.000 -1.518) 2.571 4.284 ( 3.295 0.000 -0.908) 3.418 4.354 ( 0.511 0.000 2.258) 2.316 4.803 ( -2.124 0.000 -0.106) 2.126 4.838 ( -3.495 0.000 0.343) 3.512 5.010 ( 0.412 0.000 -2.706) 2.737 5.079 ( 0.074 0.000 0.961) 0.964 5.183 ( 1.324 0.000 -2.513) 2.840 5.192 ( 0.197 0.000 2.059) 2.069 5.317 ( -3.644 0.000 -0.929) 3.760 5.375 ( -2.577 0.000 0.844) 2.712 6.024 ( -1.743 0.000 2.829) 3.323 6.072 ( -1.989 0.000 3.738) 4.234 6.091 ( 0.985 0.000 -2.499) 2.686 6.157 ( 0.999 0.000 -2.094) 2.320 7.347 ( -2.350 0.000 2.264) 3.263 7.359 ( -1.430 0.000 0.674) 1.581 7.419 ( -1.122 0.000 1.586) 1.943 7.428 ( -1.233 0.000 2.531) 2.815 8.326 ( -1.638 0.000 2.944) 3.369 8.393 ( -0.005 0.000 1.380) 1.380 8.409 ( 1.701 0.000 -1.005) 1.976 8.516 ( -0.025 0.000 2.636) 2.636 9.084 ( 1.615 0.000 -1.945) 2.528 9.108 ( 0.483 0.000 0.136) 0.501 9.179 ( 2.174 0.000 -4.038) 4.586 9.216 ( 2.280 0.000 -1.930) 2.987 ======================= Grid point 102 (62/74) ======================= q-point: ( 0.38 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 1.776 0.000 3.487) 3.914 1.208 ( 0.503 0.000 -3.164) 3.203 1.253 ( 2.279 0.000 -2.506) 3.387 1.266 ( 0.432 0.000 3.717) 3.742 1.330 ( 1.081 0.000 -4.515) 4.642 1.348 ( 4.472 0.000 -4.937) 6.662 1.465 ( 2.534 0.000 -5.966) 6.482 1.493 ( -3.440 0.000 2.641) 4.337 1.506 ( -2.594 0.000 2.728) 3.765 1.566 ( -4.449 0.000 -2.285) 5.002 1.686 ( -2.224 0.000 3.049) 3.774 1.694 ( 0.002 0.000 -2.844) 2.844 2.086 ( -2.353 0.000 9.259) 9.553 2.208 ( 0.109 0.000 1.960) 1.963 2.302 ( 0.381 0.000 9.873) 9.881 2.308 ( -1.401 0.000 3.955) 4.196 2.437 ( -2.557 0.000 2.005) 3.249 2.447 ( 2.096 0.000 -5.164) 5.573 2.512 ( -1.351 0.000 -3.487) 3.740 2.538 ( 1.885 0.000 -2.344) 3.008 2.601 ( -2.012 0.000 -0.177) 2.019 2.638 ( -0.207 0.000 4.148) 4.153 2.653 ( 1.238 0.000 3.134) 3.369 2.669 ( -0.641 0.000 2.007) 2.107 2.773 ( 1.828 0.000 4.876) 5.207 2.784 ( -0.402 0.000 5.912) 5.926 2.847 ( -0.815 0.000 -3.587) 3.678 2.904 ( -6.407 0.000 3.048) 7.095 2.982 ( -6.353 0.000 3.970) 7.491 3.020 ( 1.791 0.000 -5.680) 5.956 3.113 ( -1.303 0.000 1.697) 2.140 3.331 ( -3.645 0.000 -7.272) 8.134 3.352 ( 3.395 0.000 -0.181) 3.400 3.442 ( -0.314 0.000 -2.293) 2.315 3.519 ( 0.380 0.000 2.598) 2.625 3.563 ( 1.203 0.000 -2.762) 3.013 3.609 ( 0.417 0.000 0.019) 0.417 3.639 ( 0.207 0.000 -2.789) 2.796 3.855 ( 0.295 0.000 4.943) 4.951 3.976 ( -0.465 0.000 0.896) 1.010 4.014 ( 2.524 0.000 2.061) 3.258 4.061 ( 3.732 0.000 -0.306) 3.744 4.126 ( 0.652 0.000 0.057) 0.654 4.226 ( -0.005 0.000 -0.742) 0.742 4.241 ( -1.297 0.000 1.284) 1.825 4.293 ( 3.437 0.000 -3.787) 5.114 4.306 ( 0.295 0.000 -2.274) 2.293 4.333 ( -3.296 0.000 -0.569) 3.345 4.792 ( 0.581 0.000 1.127) 1.268 4.839 ( 2.000 0.000 3.216) 3.787 4.973 ( -1.953 0.000 -3.121) 3.682 5.059 ( -2.290 0.000 -0.838) 2.439 5.195 ( 2.075 0.000 -2.248) 3.059 5.205 ( -0.907 0.000 1.778) 1.996 5.262 ( -1.696 0.000 0.436) 1.751 5.330 ( -2.425 0.000 -0.320) 2.446 6.019 ( -1.341 0.000 2.924) 3.217 6.070 ( -1.488 0.000 3.855) 4.133 6.088 ( 0.922 0.000 -2.632) 2.788 6.155 ( 0.829 0.000 -2.467) 2.602 7.325 ( -2.165 0.000 2.495) 3.304 7.341 ( -0.795 0.000 0.141) 0.808 7.415 ( -0.483 0.000 1.315) 1.401 7.424 ( -1.423 0.000 2.512) 2.887 8.327 ( -0.901 0.000 3.535) 3.648 8.425 ( 1.013 0.000 -1.683) 1.965 8.434 ( 1.866 0.000 3.308) 3.798 8.530 ( -0.280 0.000 1.617) 1.641 9.106 ( 2.033 0.000 -1.072) 2.298 9.113 ( -0.181 0.000 0.422) 0.459 9.178 ( 1.470 0.000 -4.315) 4.559 9.219 ( 0.170 0.000 -2.870) 2.875 ======================= Grid point 103 (63/74) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -5.322 0.000 7.485) 9.184 1.205 ( 0.509 0.000 0.028) 0.510 1.221 ( -2.650 0.000 2.894) 3.924 1.277 ( -3.004 0.000 -4.734) 5.607 1.341 ( 0.750 0.000 3.564) 3.642 1.398 ( -9.500 0.000 1.778) 9.665 1.435 ( 5.649 0.000 -1.256) 5.787 1.442 ( -4.944 0.000 -4.035) 6.382 1.497 ( 3.978 0.000 -0.832) 4.064 1.503 ( 3.144 0.000 -2.284) 3.886 1.666 ( -1.483 0.000 1.600) 2.182 1.698 ( 2.134 0.000 -1.409) 2.557 2.102 ( -3.814 0.000 9.229) 9.986 2.197 ( -1.966 0.000 0.038) 1.966 2.341 ( 1.423 0.000 5.075) 5.270 2.343 ( -4.593 0.000 7.462) 8.762 2.423 ( 0.406 0.000 2.290) 2.326 2.435 ( -0.044 0.000 -2.015) 2.015 2.460 ( -2.261 0.000 -2.542) 3.403 2.542 ( 0.832 0.000 -3.144) 3.252 2.596 ( 0.459 0.000 3.208) 3.241 2.627 ( -1.154 0.000 -0.638) 1.319 2.691 ( -0.123 0.000 2.893) 2.895 2.702 ( -0.610 0.000 3.123) 3.182 2.821 ( -4.426 0.000 1.367) 4.632 2.825 ( 1.735 0.000 1.296) 2.165 2.827 ( -0.931 0.000 5.896) 5.969 2.859 ( 2.355 0.000 0.643) 2.441 2.920 ( -3.758 0.000 3.731) 5.296 3.026 ( 3.643 0.000 -5.476) 6.577 3.118 ( 0.032 0.000 3.378) 3.378 3.204 ( -3.612 0.000 -5.275) 6.393 3.391 ( 0.358 0.000 1.153) 1.208 3.413 ( -1.818 0.000 -0.759) 1.970 3.540 ( -0.271 0.000 1.162) 1.194 3.561 ( 0.522 0.000 -1.188) 1.298 3.604 ( -0.244 0.000 -0.749) 0.788 3.630 ( 2.119 0.000 -3.226) 3.860 3.894 ( -0.190 0.000 5.239) 5.242 3.962 ( -0.687 0.000 -1.020) 1.230 4.088 ( 3.282 0.000 1.187) 3.490 4.092 ( -0.222 0.000 -1.117) 1.139 4.184 ( 5.092 0.000 0.790) 5.153 4.197 ( -4.026 0.000 -0.578) 4.067 4.240 ( 2.139 0.000 -0.137) 2.144 4.255 ( -1.922 0.000 -1.995) 2.770 4.282 ( -1.279 0.000 -2.589) 2.888 4.324 ( 4.144 0.000 -4.787) 6.332 4.841 ( 2.705 0.000 2.531) 3.705 4.898 ( -3.304 0.000 -2.970) 4.443 4.925 ( 3.717 0.000 3.973) 5.440 4.991 ( -3.637 0.000 -2.439) 4.379 5.183 ( -2.555 0.000 1.648) 3.041 5.219 ( 2.395 0.000 -1.910) 3.064 5.271 ( 1.542 0.000 0.989) 1.832 5.291 ( -1.237 0.000 -1.030) 1.610 6.023 ( -0.710 0.000 2.842) 2.929 6.080 ( -0.858 0.000 3.727) 3.825 6.083 ( 1.003 0.000 -2.894) 3.063 6.148 ( 0.949 0.000 -2.992) 3.139 7.313 ( -1.185 0.000 2.417) 2.692 7.337 ( 0.372 0.000 -0.158) 0.404 7.420 ( -0.882 0.000 1.801) 2.005 7.424 ( 0.485 0.000 0.947) 1.064 8.348 ( -0.245 0.000 4.062) 4.069 8.416 ( 0.019 0.000 -2.549) 2.549 8.497 ( 2.279 0.000 2.556) 3.425 8.528 ( -0.684 0.000 -0.440) 0.813 9.109 ( -1.182 0.000 1.601) 1.990 9.135 ( 1.122 0.000 0.578) 1.262 9.164 ( 0.360 0.000 -3.156) 3.177 9.177 ( -2.294 0.000 -2.649) 3.504 ======================= Grid point 104 (64/74) ======================= q-point: (-0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -4.828 0.000 9.176) 10.368 1.121 ( -11.079 0.000 1.647) 11.200 1.181 ( -10.875 0.000 3.478) 11.417 1.209 ( -2.962 0.000 6.311) 6.972 1.272 ( -0.304 0.000 1.602) 1.630 1.342 ( -3.150 0.000 5.440) 6.286 1.359 ( -0.047 0.000 -3.943) 3.943 1.508 ( -0.108 0.000 3.930) 3.931 1.548 ( 1.831 0.000 -1.357) 2.279 1.554 ( 4.045 0.000 -2.492) 4.751 1.687 ( 3.551 0.000 -1.631) 3.908 1.737 ( 3.164 0.000 -1.716) 3.599 2.108 ( -4.272 0.000 10.923) 11.729 2.165 ( -1.926 0.000 1.480) 2.429 2.314 ( -3.790 0.000 6.294) 7.347 2.390 ( -2.657 0.000 -2.634) 3.741 2.413 ( -1.330 0.000 -0.539) 1.435 2.424 ( 2.989 0.000 3.968) 4.968 2.454 ( -0.778 0.000 4.623) 4.688 2.520 ( 0.116 0.000 -3.860) 3.862 2.598 ( -1.020 0.000 -1.756) 2.030 2.635 ( -0.143 0.000 3.373) 3.376 2.683 ( -2.268 0.000 1.285) 2.607 2.689 ( -1.952 0.000 1.983) 2.783 2.778 ( -1.596 0.000 2.417) 2.896 2.818 ( -3.111 0.000 2.168) 3.792 2.851 ( -2.335 0.000 0.239) 2.348 2.914 ( 6.061 0.000 0.561) 6.087 2.917 ( -0.289 0.000 3.755) 3.766 3.061 ( 3.763 0.000 -2.912) 4.758 3.157 ( 2.078 0.000 -3.091) 3.724 3.178 ( 1.706 0.000 6.997) 7.201 3.353 ( -4.751 0.000 0.307) 4.761 3.387 ( -2.120 0.000 2.532) 3.302 3.535 ( 0.037 0.000 -0.356) 0.358 3.560 ( 0.156 0.000 -0.917) 0.930 3.613 ( 2.261 0.000 -1.046) 2.492 3.648 ( 1.682 0.000 -3.121) 3.546 3.930 ( -2.073 0.000 -1.859) 2.784 3.931 ( -0.251 0.000 4.498) 4.505 4.060 ( -1.206 0.000 -2.538) 2.810 4.096 ( -2.021 0.000 -2.928) 3.557 4.153 ( 1.285 0.000 -1.530) 1.998 4.231 ( -1.215 0.000 0.313) 1.254 4.243 ( 0.402 0.000 -2.729) 2.758 4.267 ( 2.403 0.000 0.113) 2.406 4.283 ( 2.453 0.000 -0.101) 2.455 4.386 ( 7.398 0.000 -5.396) 9.157 4.825 ( -2.178 0.000 -2.125) 3.043 4.900 ( -3.718 0.000 -2.720) 4.607 4.909 ( 1.923 0.000 3.086) 3.636 5.018 ( 3.180 0.000 3.108) 4.447 5.152 ( -2.254 0.000 1.879) 2.934 5.241 ( 1.259 0.000 -1.827) 2.219 5.276 ( 0.750 0.000 -0.916) 1.184 5.321 ( 3.203 0.000 0.658) 3.270 6.035 ( -0.460 0.000 2.467) 2.509 6.080 ( 1.374 0.000 -3.031) 3.328 6.096 ( -0.581 0.000 3.310) 3.361 6.143 ( 1.312 0.000 -3.293) 3.545 7.323 ( 0.275 0.000 2.165) 2.183 7.350 ( 1.084 0.000 -0.182) 1.099 7.426 ( 0.525 0.000 0.648) 0.834 7.441 ( 0.573 0.000 0.527) 0.779 8.373 ( -0.546 0.000 3.411) 3.455 8.391 ( -0.189 0.000 -2.852) 2.858 8.494 ( -1.727 0.000 -2.366) 2.929 8.550 ( 2.397 0.000 -0.014) 2.397 9.098 ( -1.987 0.000 2.388) 3.107 9.106 ( -3.621 0.000 -0.197) 3.626 9.133 ( -0.676 0.000 -1.608) 1.744 9.161 ( -0.545 0.000 2.420) 2.480 ======================= Grid point 105 (65/74) ======================= q-point: (-0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -10.102 0.000 5.262) 11.390 1.026 ( -9.892 0.000 8.612) 13.115 1.085 ( -3.149 0.000 10.165) 10.641 1.206 ( -3.721 0.000 7.152) 8.062 1.301 ( 0.679 0.000 1.954) 2.069 1.335 ( -3.463 0.000 7.179) 7.971 1.378 ( 4.155 0.000 -2.093) 4.652 1.473 ( -5.485 0.000 3.856) 6.705 1.571 ( 0.144 0.000 1.489) 1.496 1.599 ( 2.664 0.000 -1.406) 3.012 1.723 ( 2.002 0.000 -3.088) 3.680 1.770 ( 2.529 0.000 -3.315) 4.169 2.117 ( -4.857 0.000 11.504) 12.487 2.155 ( -0.299 0.000 1.031) 1.074 2.300 ( -4.582 0.000 7.331) 8.645 2.336 ( -0.445 0.000 -2.326) 2.368 2.372 ( -0.981 0.000 -4.307) 4.417 2.472 ( -0.540 0.000 3.037) 3.084 2.484 ( -1.437 0.000 1.535) 2.103 2.495 ( 1.103 0.000 -0.353) 1.158 2.564 ( -2.385 0.000 2.907) 3.760 2.619 ( -3.758 0.000 2.890) 4.741 2.686 ( 2.063 0.000 0.069) 2.064 2.687 ( 0.236 0.000 1.554) 1.572 2.759 ( -2.312 0.000 0.223) 2.323 2.819 ( -0.322 0.000 -0.117) 0.343 2.826 ( 1.425 0.000 5.380) 5.566 2.964 ( 2.870 0.000 2.921) 4.095 3.027 ( 4.757 0.000 -0.450) 4.779 3.113 ( 2.991 0.000 1.585) 3.385 3.204 ( 6.358 0.000 -5.151) 8.183 3.265 ( 0.393 0.000 8.692) 8.701 3.267 ( -4.262 0.000 1.123) 4.407 3.359 ( -4.168 0.000 4.108) 5.852 3.545 ( 0.942 0.000 -0.579) 1.106 3.552 ( 0.401 0.000 -2.609) 2.640 3.625 ( -0.613 0.000 -4.017) 4.064 3.643 ( 1.053 0.000 -1.602) 1.916 3.864 ( -2.381 0.000 -1.719) 2.937 3.945 ( -1.724 0.000 3.004) 3.464 4.024 ( -0.062 0.000 -3.241) 3.242 4.047 ( -1.104 0.000 -2.315) 2.565 4.153 ( 1.175 0.000 -3.811) 3.988 4.207 ( -0.922 0.000 -0.140) 0.933 4.252 ( 1.078 0.000 -1.115) 1.550 4.269 ( -1.347 0.000 -0.035) 1.347 4.308 ( 0.607 0.000 -2.326) 2.404 4.454 ( 4.280 0.000 -8.230) 9.277 4.799 ( 0.666 0.000 0.148) 0.682 4.852 ( 0.754 0.000 -0.803) 1.102 4.952 ( 0.168 0.000 2.961) 2.965 5.076 ( 0.919 0.000 1.376) 1.655 5.135 ( -1.410 0.000 2.150) 2.571 5.234 ( 0.003 0.000 -2.030) 2.030 5.303 ( 2.212 0.000 0.271) 2.228 5.387 ( 3.608 0.000 -0.121) 3.610 6.044 ( -0.608 0.000 2.033) 2.122 6.084 ( 1.684 0.000 -2.980) 3.423 6.107 ( -0.981 0.000 2.785) 2.953 6.143 ( 1.583 0.000 -3.287) 3.649 7.353 ( 1.049 0.000 1.684) 1.984 7.368 ( 0.912 0.000 0.002) 0.912 7.445 ( 1.395 0.000 -0.731) 1.575 7.449 ( -0.173 0.000 0.271) 0.322 8.372 ( 0.405 0.000 -2.045) 2.085 8.378 ( -1.383 0.000 2.128) 2.538 8.440 ( -1.694 0.000 -2.689) 3.178 8.577 ( 1.741 0.000 -2.995) 3.464 9.047 ( -2.585 0.000 1.507) 2.992 9.093 ( -2.014 0.000 4.216) 4.672 9.109 ( -1.065 0.000 -0.078) 1.067 9.162 ( -1.792 0.000 3.109) 3.588 ======================= Grid point 106 (66/74) ======================= q-point: (-0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -1.633 0.000 8.977) 9.124 0.987 ( -2.566 0.000 10.011) 10.334 1.106 ( -3.507 0.000 8.153) 8.875 1.186 ( -4.190 0.000 7.212) 8.341 1.296 ( -5.568 0.000 1.985) 5.911 1.319 ( 0.194 0.000 0.258) 0.323 1.444 ( -2.062 0.000 7.906) 8.170 1.449 ( 4.809 0.000 -0.946) 4.901 1.572 ( -1.480 0.000 2.032) 2.514 1.629 ( 2.029 0.000 -1.451) 2.494 1.708 ( -0.729 0.000 -2.931) 3.020 1.769 ( 0.590 0.000 -4.303) 4.343 2.113 ( -5.903 0.000 11.583) 13.000 2.172 ( 1.814 0.000 0.122) 1.818 2.272 ( -3.501 0.000 5.349) 6.393 2.328 ( 0.694 0.000 -5.174) 5.220 2.342 ( 1.882 0.000 -0.607) 1.977 2.409 ( -5.975 0.000 2.247) 6.384 2.477 ( -0.618 0.000 1.371) 1.504 2.520 ( -3.112 0.000 2.848) 4.218 2.582 ( -2.806 0.000 4.012) 4.896 2.588 ( 3.264 0.000 3.169) 4.549 2.693 ( -1.496 0.000 1.172) 1.900 2.725 ( 2.039 0.000 -1.935) 2.811 2.757 ( 1.624 0.000 2.266) 2.788 2.833 ( 0.936 0.000 0.524) 1.073 2.909 ( 2.716 0.000 4.726) 5.451 3.050 ( -0.657 0.000 -1.840) 1.954 3.063 ( 4.496 0.000 4.048) 6.050 3.151 ( 0.391 0.000 2.341) 2.374 3.274 ( 4.470 0.000 -2.531) 5.137 3.298 ( -6.357 0.000 4.484) 7.779 3.309 ( 7.658 0.000 -1.181) 7.749 3.319 ( -1.355 0.000 7.122) 7.250 3.509 ( -3.655 0.000 -2.011) 4.172 3.523 ( -1.103 0.000 -4.341) 4.479 3.601 ( -2.083 0.000 -2.957) 3.617 3.610 ( 1.596 0.000 -2.705) 3.141 3.859 ( 2.245 0.000 -0.601) 2.324 3.919 ( -3.046 0.000 1.812) 3.544 4.012 ( 1.250 0.000 -1.938) 2.306 4.017 ( -0.801 0.000 0.071) 0.804 4.150 ( 1.791 0.000 -3.673) 4.086 4.184 ( -1.371 0.000 -0.953) 1.669 4.230 ( -2.315 0.000 -0.784) 2.444 4.256 ( 0.338 0.000 -0.644) 0.727 4.271 ( -1.112 0.000 -5.019) 5.141 4.396 ( -2.027 0.000 -7.844) 8.101 4.858 ( 4.640 0.000 0.598) 4.678 4.901 ( 3.827 0.000 0.949) 3.943 4.960 ( -1.633 0.000 2.184) 2.727 5.069 ( -2.006 0.000 -0.337) 2.034 5.136 ( -0.549 0.000 2.359) 2.422 5.217 ( 0.025 0.000 -2.183) 2.183 5.350 ( 1.961 0.000 1.711) 2.602 5.436 ( 2.172 0.000 -1.236) 2.499 6.045 ( -0.940 0.000 1.899) 2.119 6.091 ( 1.540 0.000 -2.869) 3.256 6.104 ( -1.639 0.000 2.626) 3.095 6.147 ( 1.564 0.000 -3.058) 3.435 7.379 ( 0.397 0.000 1.235) 1.298 7.380 ( 0.245 0.000 0.411) 0.478 7.442 ( -0.752 0.000 0.433) 0.867 7.455 ( 0.438 0.000 -1.322) 1.393 8.362 ( -1.849 0.000 1.515) 2.390 8.376 ( 1.098 0.000 -1.307) 1.707 8.407 ( 0.128 0.000 -0.788) 0.798 8.558 ( -0.607 0.000 -4.276) 4.318 9.043 ( 0.186 0.000 2.379) 2.386 9.096 ( -0.665 0.000 0.683) 0.953 9.097 ( -1.114 0.000 4.051) 4.202 9.151 ( -1.490 0.000 2.047) 2.532 ======================= Grid point 107 (67/74) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 4.885 -0.044 8.036) 9.404 1.017 ( 3.392 -1.930 7.047) 8.055 1.128 ( -3.126 1.599 0.999) 3.651 1.177 ( -2.641 -2.731 -2.756) 4.694 1.218 ( -0.233 2.573 7.428) 7.864 1.277 ( -0.382 -2.840 2.486) 3.794 1.511 ( -1.362 2.775 4.461) 5.427 1.544 ( 0.581 -0.264 2.120) 2.214 1.571 ( 0.941 1.603 -0.213) 1.871 1.611 ( 0.338 -2.074 -2.817) 3.514 1.689 ( -0.533 0.759 -1.991) 2.196 1.713 ( 0.719 -1.254 -3.000) 3.330 2.126 ( -6.033 3.340 9.530) 11.763 2.204 ( -4.594 -3.673 6.904) 9.070 2.240 ( 2.102 2.151 -0.302) 3.022 2.298 ( 0.278 -2.519 -0.965) 2.712 2.361 ( -3.054 3.005 1.410) 4.511 2.393 ( 1.481 0.337 -0.984) 1.810 2.477 ( -0.321 -0.978 2.142) 2.377 2.479 ( -0.150 -1.035 1.436) 1.777 2.596 ( -1.714 2.070 6.885) 7.391 2.659 ( -2.151 -1.548 4.170) 4.941 2.685 ( -0.167 2.697 -0.929) 2.857 2.724 ( 1.220 -0.695 -2.189) 2.601 2.785 ( -0.116 -0.078 2.489) 2.493 2.818 ( -0.165 -1.234 -0.879) 1.524 2.924 ( 0.650 -2.942 1.402) 3.323 2.946 ( 0.150 -4.343 -0.786) 4.416 3.198 ( -0.910 1.953 5.762) 6.151 3.219 ( -2.503 -0.046 4.967) 5.562 3.255 ( 0.659 2.281 1.252) 2.684 3.288 ( -1.137 -0.899 -1.289) 1.940 3.352 ( -0.438 2.179 -0.733) 2.340 3.385 ( 2.230 -0.734 -1.979) 3.070 3.470 ( 0.231 1.696 -0.819) 1.898 3.497 ( 3.571 -0.844 -2.967) 4.719 3.642 ( 0.144 5.719 -1.549) 5.927 3.655 ( -0.623 5.313 -2.739) 6.010 3.804 ( -1.923 -5.389 0.620) 5.755 3.824 ( 1.270 -6.121 -0.895) 6.315 4.025 ( 1.562 -0.401 -0.527) 1.696 4.028 ( 1.161 -0.530 -0.300) 1.310 4.142 ( -1.994 1.791 0.173) 2.686 4.173 ( -0.606 -0.732 -0.399) 1.031 4.201 ( 1.238 0.880 -2.690) 3.089 4.211 ( 1.259 -0.111 -4.086) 4.277 4.268 ( -0.259 0.518 -0.961) 1.122 4.290 ( -1.368 -1.430 -3.066) 3.650 4.941 ( 0.144 1.278 1.793) 2.206 4.968 ( 2.355 -0.627 2.042) 3.179 4.970 ( 0.757 1.307 -0.962) 1.791 4.999 ( -2.709 -0.937 -0.849) 2.989 5.163 ( 0.054 1.146 1.321) 1.750 5.189 ( 0.153 -1.086 -1.245) 1.659 5.404 ( 0.368 1.150 0.365) 1.262 5.428 ( -0.189 -0.984 -1.900) 2.148 6.046 ( -1.378 0.639 2.645) 3.050 6.068 ( -1.319 -1.348 2.236) 2.925 6.116 ( 0.715 1.231 -1.942) 2.408 6.140 ( 1.209 -0.934 -2.614) 3.028 7.390 ( -0.652 0.631 1.154) 1.468 7.394 ( -0.788 0.527 0.831) 1.260 7.425 ( -0.741 -0.432 0.897) 1.241 7.432 ( -0.823 -0.847 0.260) 1.210 8.366 ( -0.795 1.914 1.159) 2.374 8.390 ( 0.140 0.369 -0.934) 1.014 8.432 ( 0.963 0.300 0.759) 1.263 8.469 ( -1.962 -2.258 -2.685) 4.020 9.077 ( 0.667 0.357 1.552) 1.726 9.085 ( 0.007 -0.336 0.941) 0.999 9.130 ( 0.968 0.597 1.235) 1.678 9.143 ( 0.724 -0.615 0.045) 0.951 ======================= Grid point 108 (68/74) ======================= q-point: ( 0.12 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.579 1.634 -3.736) 4.118 1.096 ( 2.342 -2.955 -5.547) 6.707 1.175 ( 2.263 -1.150 6.282) 6.775 1.187 ( 4.976 -0.913 3.266) 6.022 1.286 ( 2.038 1.243 0.905) 2.553 1.302 ( 3.608 -0.439 1.780) 4.047 1.482 ( -2.863 3.126 0.708) 4.297 1.535 ( -2.197 -2.223 0.863) 3.242 1.591 ( -1.169 0.565 -1.647) 2.098 1.614 ( 2.265 -0.280 -0.002) 2.282 1.670 ( -0.676 0.811 0.275) 1.091 1.711 ( 1.683 -1.796 -2.840) 3.759 2.095 ( -5.149 3.729 9.009) 11.026 2.180 ( -3.746 -3.368 6.673) 8.361 2.242 ( -2.660 1.813 2.941) 4.360 2.283 ( -2.896 -1.977 3.764) 5.144 2.374 ( 4.136 3.224 -0.651) 5.284 2.432 ( 3.867 -0.831 -2.409) 4.632 2.498 ( 1.531 -0.195 1.795) 2.367 2.519 ( 1.674 -2.328 2.193) 3.610 2.596 ( -3.385 3.245 4.968) 6.832 2.627 ( -3.771 1.655 1.929) 4.548 2.682 ( 0.209 0.382 0.052) 0.438 2.708 ( -1.603 -1.941 -0.183) 2.524 2.767 ( -2.270 0.580 0.267) 2.358 2.816 ( -0.808 -0.394 0.209) 0.923 2.907 ( -1.951 -4.097 -0.405) 4.556 2.935 ( -1.347 -4.231 -0.535) 4.473 3.153 ( -6.103 1.174 5.230) 8.123 3.170 ( -4.592 -0.550 3.143) 5.592 3.236 ( -4.032 4.350 -3.305) 6.790 3.294 ( -2.592 -0.872 -1.098) 2.947 3.359 ( 5.495 1.916 0.108) 5.820 3.405 ( 4.532 -2.571 -0.551) 5.240 3.523 ( 3.519 2.337 -2.419) 4.868 3.557 ( 4.180 -0.800 -4.197) 5.977 3.626 ( -0.013 4.909 0.584) 4.943 3.646 ( 0.258 5.938 -0.049) 5.944 3.776 ( -1.479 -3.992 1.022) 4.379 3.846 ( 1.074 -6.957 0.318) 7.046 4.009 ( -1.214 0.333 -2.128) 2.473 4.026 ( -0.304 -0.914 -1.838) 2.075 4.146 ( 0.266 0.749 1.149) 1.397 4.161 ( 0.078 -0.437 0.102) 0.455 4.223 ( 3.615 1.077 -2.062) 4.299 4.233 ( 3.302 0.297 -1.505) 3.641 4.268 ( 0.384 0.431 -0.171) 0.602 4.289 ( 1.840 -1.234 1.525) 2.689 4.884 ( -4.284 1.559 -0.275) 4.567 4.912 ( -4.648 -0.957 -0.758) 4.806 5.015 ( 2.391 1.181 -0.589) 2.731 5.037 ( 2.159 -0.820 1.192) 2.599 5.177 ( 0.365 0.477 1.196) 1.338 5.185 ( 0.625 -0.223 -1.362) 1.516 5.391 ( -2.375 0.125 -1.368) 2.744 5.397 ( -1.611 -0.356 0.660) 1.777 6.041 ( -1.672 0.733 2.904) 3.430 6.062 ( -1.624 -1.179 2.770) 3.421 6.113 ( 0.693 1.328 -1.981) 2.484 6.140 ( 1.044 -1.161 -2.297) 2.777 7.382 ( -1.524 0.917 1.694) 2.456 7.385 ( -1.056 0.656 1.195) 1.725 7.416 ( -1.192 -0.700 1.312) 1.906 7.419 ( -1.327 -0.925 1.641) 2.304 8.350 ( -1.636 1.790 1.621) 2.917 8.387 ( -0.778 -1.141 -0.215) 1.398 8.427 ( -0.238 1.323 -0.631) 1.484 8.465 ( 0.997 -1.772 1.805) 2.718 9.086 ( 0.402 0.473 -0.908) 1.100 9.094 ( 0.558 -0.175 0.147) 0.603 9.165 ( 2.273 0.041 -1.880) 2.950 9.170 ( 2.736 -0.338 -0.598) 2.821 ======================= Grid point 109 (69/74) ======================= q-point: ( 0.25 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 4.152 1.982 -3.157) 5.580 1.112 ( 5.043 -3.142 -5.276) 7.946 1.229 ( -0.365 -0.953 3.584) 3.726 1.251 ( 0.750 -2.853 -1.002) 3.116 1.321 ( 2.298 4.184 -2.025) 5.185 1.390 ( 2.538 -1.531 -0.564) 3.017 1.455 ( 1.560 2.726 -2.955) 4.312 1.500 ( -0.974 -2.061 -0.311) 2.301 1.546 ( -2.429 2.070 0.179) 3.197 1.632 ( -1.225 -4.563 2.558) 5.372 1.659 ( -0.670 2.734 -1.221) 3.069 1.710 ( 0.042 -1.693 -2.654) 3.148 2.097 ( -2.767 4.257 9.502) 10.773 2.187 ( -1.409 -2.114 6.749) 7.211 2.236 ( -1.365 0.591 5.266) 5.472 2.274 ( -1.672 -2.298 4.414) 5.250 2.442 ( 4.219 2.468 -3.494) 6.008 2.474 ( 2.469 0.767 -1.738) 3.115 2.539 ( 0.884 -0.345 0.324) 1.003 2.546 ( -2.914 0.016 3.096) 4.252 2.572 ( 0.709 0.124 1.173) 1.376 2.593 ( -2.308 -0.679 2.105) 3.197 2.674 ( -0.283 2.941 0.572) 3.009 2.705 ( -0.040 -0.261 3.167) 3.178 2.729 ( -1.454 0.116 1.131) 1.845 2.779 ( -3.393 0.150 0.881) 3.508 2.866 ( -2.060 -3.871 -1.057) 4.511 2.888 ( -2.879 -4.924 -0.657) 5.741 3.077 ( -7.232 0.987 5.188) 8.956 3.098 ( -5.964 -0.339 1.853) 6.255 3.170 ( 0.194 4.354 -2.924) 5.248 3.255 ( 1.246 -3.248 -2.852) 4.498 3.434 ( 2.753 2.101 -3.349) 4.817 3.463 ( 1.678 -0.686 -3.963) 4.358 3.537 ( 1.173 2.720 -0.065) 2.963 3.579 ( 1.687 -1.200 -1.266) 2.426 3.643 ( -1.113 5.506 1.690) 5.866 3.661 ( 2.302 3.685 -0.427) 4.366 3.776 ( 0.097 -2.559 2.028) 3.267 3.865 ( 0.614 -7.538 0.797) 7.605 3.990 ( 0.542 0.910 -0.089) 1.063 4.014 ( 0.788 -1.036 -0.914) 1.591 4.144 ( 0.086 1.096 -0.668) 1.286 4.173 ( 0.546 -2.041 -0.302) 2.134 4.268 ( 0.851 0.752 -0.242) 1.161 4.276 ( 2.283 0.328 -0.743) 2.423 4.302 ( 2.884 1.895 0.183) 3.456 4.337 ( 1.429 -1.414 1.620) 2.582 4.814 ( -2.629 0.930 -0.088) 2.790 4.832 ( -3.287 -0.651 0.093) 3.352 5.029 ( 0.106 1.589 -1.620) 2.271 5.063 ( -0.033 -1.423 0.276) 1.450 5.188 ( 0.844 0.550 -0.674) 1.212 5.197 ( 0.831 0.001 0.673) 1.070 5.330 ( -3.210 1.282 -0.724) 3.531 5.361 ( -2.709 -1.338 0.368) 3.044 6.033 ( -1.768 0.846 3.079) 3.650 6.055 ( -1.697 -1.144 3.181) 3.782 6.110 ( 0.745 1.380 -2.092) 2.615 6.141 ( 0.942 -1.379 -2.230) 2.786 7.366 ( -1.974 1.575 2.240) 3.375 7.372 ( -1.333 1.081 1.044) 2.009 7.405 ( -1.229 -1.158 1.294) 2.127 7.410 ( -1.570 -1.526 2.447) 3.283 8.342 ( -1.010 1.437 2.247) 2.852 8.376 ( -0.239 -1.529 1.591) 2.219 8.439 ( 1.018 2.502 0.238) 2.712 8.492 ( 0.236 -2.213 1.981) 2.979 9.091 ( 1.417 0.599 -1.722) 2.309 9.104 ( 0.880 -0.453 -0.762) 1.249 9.186 ( 2.083 0.739 -3.134) 3.835 9.205 ( 2.161 -0.902 -2.155) 3.182 ======================= Grid point 110 (70/74) ======================= q-point: ( 0.38 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.157 1.974 4.337) 4.768 1.175 ( 3.717 -2.137 -1.290) 4.477 1.228 ( -1.574 -0.906 1.464) 2.332 1.262 ( 4.148 -3.204 -4.121) 6.668 1.322 ( 1.307 3.510 -2.821) 4.689 1.388 ( 1.563 -1.717 -4.536) 5.096 1.457 ( 1.905 1.393 -5.021) 5.548 1.485 ( -0.476 -0.601 -0.752) 1.074 1.528 ( -3.015 2.636 3.351) 5.221 1.593 ( -5.072 0.429 0.194) 5.094 1.643 ( -0.691 -1.812 1.478) 2.439 1.677 ( -0.572 -1.882 -2.268) 3.002 2.131 ( -2.443 4.392 8.869) 10.194 2.220 ( -0.337 -0.237 3.999) 4.020 2.263 ( -1.471 -2.901 6.377) 7.158 2.283 ( -0.984 -2.564 3.366) 4.344 2.458 ( 1.162 2.027 -3.526) 4.230 2.489 ( -1.319 3.810 1.509) 4.305 2.506 ( -0.635 -1.199 -2.610) 2.941 2.535 ( -0.047 0.493 -2.197) 2.252 2.580 ( 0.336 -1.439 -0.379) 1.526 2.592 ( -1.839 -2.751 5.838) 6.711 2.694 ( 0.285 3.022 2.805) 4.133 2.713 ( -0.383 3.086 0.336) 3.128 2.761 ( 0.027 -1.746 4.658) 4.974 2.769 ( 2.230 -0.786 4.033) 4.675 2.820 ( -1.150 -1.618 -1.845) 2.710 2.845 ( -2.165 -4.113 1.038) 4.762 2.988 ( -5.984 0.844 2.937) 6.720 3.010 ( -4.096 -1.004 -0.045) 4.217 3.177 ( 1.828 5.028 -0.747) 5.402 3.285 ( 3.001 -4.981 -0.729) 5.860 3.382 ( -2.990 3.208 -5.835) 7.299 3.426 ( -1.462 -1.139 -3.497) 3.957 3.581 ( 2.653 1.923 -0.567) 3.325 3.596 ( 1.119 -0.157 -1.086) 1.568 3.628 ( -1.967 5.710 2.180) 6.420 3.694 ( 1.611 5.321 -0.930) 5.637 3.794 ( -0.805 -4.843 3.692) 6.143 3.877 ( -0.058 -7.785 0.260) 7.789 4.029 ( 2.940 1.206 1.441) 3.489 4.052 ( 3.634 -0.860 0.370) 3.753 4.143 ( 0.389 1.149 -0.594) 1.351 4.177 ( 0.626 -2.411 -0.971) 2.673 4.260 ( -1.319 1.074 -0.455) 1.761 4.284 ( -0.721 -1.067 -1.539) 2.007 4.334 ( 1.078 1.404 -1.388) 2.249 4.343 ( -0.556 0.548 -1.253) 1.476 4.803 ( 0.921 0.958 1.442) 1.961 4.826 ( 1.598 -1.068 2.433) 3.100 4.995 ( -2.105 1.953 -2.187) 3.609 5.039 ( -2.247 -1.860 -1.105) 3.120 5.202 ( 0.593 0.964 0.353) 1.186 5.218 ( 0.901 -0.020 0.618) 1.093 5.274 ( -2.061 1.565 -0.640) 2.666 5.313 ( -2.240 -1.614 -0.603) 2.826 6.029 ( -1.444 0.952 3.203) 3.640 6.053 ( -1.382 -1.241 3.376) 3.853 6.106 ( 0.807 1.392 -2.353) 2.850 6.138 ( 0.885 -1.451 -2.550) 3.065 7.349 ( -1.968 2.068 2.479) 3.781 7.358 ( -0.731 1.473 0.515) 1.723 7.397 ( -0.568 -1.564 1.029) 1.957 7.401 ( -1.603 -1.999 2.430) 3.531 8.352 ( -0.203 2.234 3.169) 3.883 8.402 ( 0.911 -2.121 2.306) 3.263 8.458 ( 0.937 2.183 0.241) 2.388 8.507 ( 0.043 -2.084 1.120) 2.366 9.109 ( 1.649 0.245 -0.951) 1.919 9.113 ( 0.582 -0.084 -0.277) 0.650 9.187 ( 0.952 0.826 -3.636) 3.848 9.208 ( 0.331 -0.994 -2.964) 3.144 ======================= Grid point 111 (71/74) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -5.445 1.420 7.454) 9.340 1.171 ( -4.040 -3.697 4.541) 7.114 1.248 ( 1.166 1.909 -0.724) 2.352 1.270 ( -0.878 -0.544 -2.163) 2.397 1.344 ( 0.437 0.873 -1.022) 1.414 1.390 ( -2.516 -1.715 -1.652) 3.464 1.430 ( -5.197 -0.891 -0.153) 5.275 1.439 ( -3.270 -0.158 1.211) 3.490 1.522 ( 4.770 2.517 -1.175) 5.520 1.534 ( 4.054 3.084 -3.853) 6.387 1.642 ( -0.526 -1.518 1.785) 2.401 1.671 ( 1.000 -2.630 -1.384) 3.135 2.138 ( -4.230 3.832 8.967) 10.629 2.225 ( -1.387 1.050 1.883) 2.564 2.263 ( -4.143 -4.454 6.334) 8.782 2.303 ( 0.722 -3.104 2.929) 4.328 2.449 ( -0.134 1.700 -0.772) 1.872 2.467 ( -1.031 1.794 1.032) 2.312 2.479 ( -0.563 1.121 -2.807) 3.075 2.516 ( -0.029 -1.870 -2.358) 3.010 2.597 ( 0.280 0.130 3.701) 3.714 2.614 ( -0.136 -1.519 2.615) 3.028 2.699 ( -1.245 2.163 2.155) 3.297 2.734 ( -0.302 2.145 2.748) 3.499 2.774 ( -0.946 -3.176 0.556) 3.361 2.800 ( -1.789 -2.333 -0.034) 2.940 2.835 ( 0.484 0.429 3.423) 3.484 2.845 ( 0.719 -0.643 2.542) 2.718 2.927 ( -2.261 1.031 2.290) 3.379 2.968 ( 1.059 -2.893 -1.098) 3.271 3.217 ( 1.698 5.928 1.282) 6.298 3.272 ( -3.446 4.401 -3.780) 6.748 3.333 ( 0.854 -3.990 0.873) 4.173 3.367 ( -2.023 -3.457 -2.138) 4.540 3.588 ( -0.078 0.750 -1.305) 1.507 3.594 ( 0.085 1.032 -1.169) 1.562 3.652 ( 1.878 5.842 1.739) 6.378 3.692 ( -0.208 7.685 -1.798) 7.895 3.817 ( -0.160 -7.065 4.293) 8.268 3.867 ( -0.636 -7.729 -0.683) 7.785 4.098 ( 2.370 1.530 0.727) 2.914 4.117 ( 1.710 0.881 -0.704) 2.048 4.155 ( 2.312 -1.516 -0.520) 2.814 4.170 ( -0.612 -1.863 -1.500) 2.469 4.231 ( -0.169 0.050 -1.172) 1.185 4.241 ( -0.852 -0.874 -1.853) 2.219 4.321 ( 0.181 2.308 -1.474) 2.744 4.344 ( 2.236 0.318 -3.123) 3.854 4.858 ( 2.595 1.445 2.482) 3.871 4.888 ( 0.866 -1.152 0.996) 1.752 4.938 ( -0.843 1.405 -0.024) 1.639 4.973 ( -3.253 -1.614 -2.013) 4.152 5.197 ( -2.390 1.649 2.396) 3.764 5.236 ( 0.069 -0.987 0.667) 1.193 5.260 ( 1.323 1.121 -1.412) 2.236 5.288 ( 1.454 -0.743 -2.204) 2.743 6.033 ( -0.953 0.947 3.155) 3.429 6.059 ( -0.876 -1.390 3.161) 3.563 6.102 ( 0.961 1.362 -2.500) 3.005 6.133 ( 1.043 -1.364 -2.966) 3.428 7.339 ( -1.176 2.225 2.313) 3.418 7.358 ( 0.372 1.727 0.192) 1.777 7.394 ( -0.971 -2.168 1.908) 3.047 7.403 ( 0.500 -1.832 0.640) 2.004 8.379 ( 0.022 2.570 3.335) 4.210 8.422 ( 0.127 -0.498 -0.329) 0.610 8.484 ( 1.304 -0.159 1.238) 1.805 8.509 ( 0.059 -1.646 -0.692) 1.786 9.117 ( -0.763 0.694 1.310) 1.668 9.130 ( 0.482 -0.453 0.835) 1.066 9.165 ( -0.183 0.174 -3.039) 3.050 9.172 ( -1.550 -0.408 -2.717) 3.155 ======================= Grid point 112 (72/74) ======================= q-point: (-0.38 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -6.944 0.650 7.601) 10.316 1.117 ( -8.351 -3.580 5.183) 10.461 1.152 ( -8.851 2.626 3.512) 9.878 1.219 ( -7.329 -3.014 4.948) 9.342 1.307 ( 0.500 3.647 1.298) 3.903 1.333 ( -1.876 0.387 2.752) 3.353 1.381 ( 0.024 1.056 -1.611) 1.926 1.436 ( -0.593 -4.746 2.412) 5.357 1.585 ( 1.329 3.083 -1.711) 3.768 1.609 ( 4.156 4.493 -0.912) 6.188 1.670 ( 3.375 -3.015 -1.293) 4.707 1.687 ( 2.710 -3.460 -2.120) 4.880 2.137 ( -4.223 3.162 10.129) 11.420 2.217 ( -1.399 2.146 2.412) 3.518 2.239 ( -3.665 -2.696 6.312) 7.781 2.343 ( 0.932 -5.613 2.000) 6.031 2.424 ( -1.738 1.820 -1.261) 2.815 2.458 ( -0.139 -0.793 -0.426) 0.911 2.466 ( -0.887 2.563 2.047) 3.398 2.513 ( 1.086 -0.413 0.044) 1.163 2.612 ( -0.049 1.261 -1.610) 2.046 2.631 ( 0.214 -0.552 1.858) 1.950 2.684 ( -3.369 2.093 4.172) 5.756 2.717 ( -2.037 2.260 0.645) 3.110 2.755 ( -1.795 -2.311 1.844) 3.459 2.790 ( -1.518 -3.994 2.913) 5.171 2.834 ( -1.869 -0.800 0.363) 2.066 2.836 ( -0.108 -2.099 0.341) 2.129 2.976 ( 4.628 2.979 2.123) 5.899 3.038 ( 5.982 -2.703 -0.306) 6.571 3.173 ( -3.462 4.496 0.031) 5.675 3.276 ( -2.568 -3.030 0.884) 4.069 3.292 ( 0.139 3.467 1.717) 3.872 3.370 ( 0.104 -2.516 1.624) 2.996 3.573 ( -0.215 2.845 -0.367) 2.877 3.607 ( 1.908 -0.756 -1.667) 2.644 3.660 ( -0.239 6.560 -1.163) 6.667 3.695 ( 0.653 6.016 -1.099) 6.150 3.834 ( -1.141 -7.567 1.164) 7.741 3.859 ( 0.299 -6.590 0.869) 6.653 4.071 ( -2.020 0.898 -2.672) 3.468 4.089 ( -2.536 -0.657 -2.836) 3.861 4.166 ( 2.310 1.163 -2.473) 3.578 4.199 ( 1.572 -1.997 -2.643) 3.667 4.234 ( 1.090 0.543 0.295) 1.253 4.257 ( 1.464 -1.159 0.717) 2.001 4.333 ( 1.918 3.008 -0.990) 3.703 4.380 ( 4.692 -1.210 -3.786) 6.149 4.836 ( -2.627 1.191 -1.707) 3.352 4.869 ( -2.641 -1.766 -1.423) 3.481 4.949 ( 1.567 2.495 2.010) 3.566 4.998 ( 2.752 -1.901 2.799) 4.361 5.172 ( -2.133 2.071 2.106) 3.644 5.226 ( -1.073 -2.518 0.476) 2.778 5.291 ( 3.239 2.350 -2.040) 4.492 5.325 ( 3.726 -0.496 -1.572) 4.074 6.042 ( -0.790 0.840 2.804) 3.031 6.069 ( -0.539 -1.452 2.252) 2.733 6.103 ( 1.193 1.165 -2.019) 2.619 6.130 ( 1.404 -1.175 -3.133) 3.629 7.347 ( 0.198 2.059 1.875) 2.791 7.372 ( 0.910 1.690 0.135) 1.924 7.400 ( 0.404 -1.969 0.989) 2.241 7.420 ( 0.797 -1.889 0.324) 2.076 8.390 ( -1.038 1.693 0.790) 2.137 8.414 ( -0.070 0.580 -0.640) 0.867 8.486 ( -0.540 0.363 -1.715) 1.834 8.525 ( 1.923 -2.199 -0.592) 2.981 9.099 ( -2.431 0.141 1.384) 2.801 9.103 ( -3.219 -0.216 0.068) 3.227 9.140 ( -0.665 0.635 -0.130) 0.929 9.154 ( -0.587 -0.597 1.728) 1.921 ======================= Grid point 113 (73/74) ======================= q-point: (-0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -10.111 0.251 6.822) 12.200 0.974 ( -10.038 -3.158 7.480) 12.910 1.121 ( -2.758 3.091 9.861) 10.696 1.195 ( -2.879 -2.724 7.520) 8.501 1.305 ( -4.109 0.586 5.290) 6.724 1.330 ( -2.428 -0.457 3.269) 4.098 1.399 ( 2.539 2.512 -0.493) 3.605 1.452 ( 0.351 -2.372 3.586) 4.314 1.572 ( -0.414 2.515 -1.190) 2.812 1.644 ( 0.695 0.566 -0.308) 0.948 1.705 ( 2.714 -3.015 -3.304) 5.232 1.722 ( 2.062 -0.807 -2.554) 3.380 2.144 ( -4.142 2.887 10.132) 11.320 2.209 ( -0.680 2.911 0.571) 3.043 2.232 ( -3.307 -2.453 7.093) 8.202 2.343 ( -1.097 -5.712 -2.065) 6.172 2.386 ( -0.738 3.951 -1.433) 4.268 2.451 ( -0.711 -1.703 0.783) 2.004 2.482 ( -0.389 0.986 3.108) 3.284 2.528 ( -1.660 -2.441 2.142) 3.647 2.595 ( 0.786 7.918 -1.694) 8.135 2.629 ( -2.986 1.171 2.816) 4.268 2.661 ( -0.859 -1.442 2.281) 2.832 2.710 ( 0.032 1.842 2.485) 3.093 2.734 ( -2.063 -2.200 0.672) 3.090 2.793 ( 0.282 -3.841 2.705) 4.706 2.823 ( 0.969 0.669 0.983) 1.534 2.876 ( 3.089 -5.766 0.929) 6.607 3.085 ( 4.631 3.897 1.493) 6.234 3.142 ( 0.868 2.809 1.007) 3.107 3.154 ( 6.048 -2.935 -0.454) 6.738 3.214 ( -2.276 -3.641 1.405) 4.518 3.333 ( -0.363 3.298 4.301) 5.432 3.369 ( -2.785 -0.259 3.603) 4.561 3.567 ( -0.029 3.283 -2.027) 3.858 3.611 ( 0.561 -0.912 -3.623) 3.778 3.663 ( -1.175 3.514 -1.319) 3.933 3.672 ( 1.143 5.807 -0.944) 5.993 3.810 ( -1.501 -4.344 -0.545) 4.628 3.866 ( -0.549 -6.370 0.400) 6.406 4.021 ( -0.852 0.030 -2.460) 2.603 4.032 ( -1.330 -1.007 -2.674) 3.152 4.173 ( 1.434 1.431 -3.594) 4.126 4.199 ( 1.203 -0.998 -2.927) 3.318 4.249 ( -0.136 0.600 0.297) 0.684 4.266 ( -1.001 -0.590 0.233) 1.185 4.343 ( 0.060 2.965 -2.266) 3.732 4.414 ( 1.930 -3.335 -5.597) 6.795 4.810 ( 0.953 1.073 0.244) 1.455 4.836 ( 0.902 -1.251 -0.284) 1.568 4.990 ( 0.511 2.961 2.203) 3.726 5.049 ( 0.747 -2.398 1.631) 2.995 5.157 ( -1.246 2.208 1.777) 3.096 5.211 ( -0.600 -2.377 -0.363) 2.478 5.336 ( 3.211 2.903 -1.373) 4.542 5.383 ( 3.778 -1.051 -1.607) 4.238 6.047 ( -0.907 0.698 2.414) 2.672 6.074 ( -0.561 -1.466 1.494) 2.166 6.111 ( 1.161 0.949 -1.577) 2.176 6.133 ( 1.613 -0.933 -3.029) 3.556 7.371 ( 0.856 1.641 1.250) 2.233 7.388 ( 0.648 1.447 0.181) 1.596 7.419 ( 0.994 -1.722 0.104) 1.991 7.433 ( 0.471 -1.558 0.018) 1.628 8.370 ( -0.766 1.151 -0.586) 1.501 8.401 ( -0.685 -1.064 -0.823) 1.510 8.463 ( -0.379 3.674 -2.093) 4.245 8.543 ( 1.230 -3.183 -2.727) 4.368 9.054 ( -2.376 0.673 1.716) 3.007 9.073 ( -1.980 -1.097 2.313) 3.237 9.129 ( -1.422 1.254 1.974) 2.737 9.152 ( -1.674 -0.880 2.809) 3.386 ======================= Grid point 114 (74/74) ======================= q-point: (-0.12 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -2.023 0.419 9.936) 10.149 0.927 ( -2.548 -3.191 9.784) 10.602 1.164 ( -1.429 2.451 9.586) 9.997 1.187 ( -4.276 1.205 4.426) 6.271 1.261 ( -4.293 -2.687 1.171) 5.198 1.279 ( -4.446 -2.463 4.970) 7.109 1.457 ( 2.636 2.892 2.868) 4.852 1.502 ( 1.997 0.122 2.215) 2.985 1.566 ( -0.126 1.900 0.654) 2.014 1.637 ( -0.398 -1.249 -2.134) 2.505 1.715 ( 0.064 0.003 -2.532) 2.532 1.719 ( 1.361 -2.168 -3.025) 3.963 2.146 ( -4.832 3.091 10.152) 11.661 2.211 ( 1.364 3.040 -1.146) 3.523 2.225 ( -4.140 -3.116 7.597) 9.196 2.306 ( 0.028 -3.537 -3.052) 4.672 2.375 ( 0.766 2.900 -1.329) 3.281 2.425 ( -2.454 -0.458 -1.126) 2.738 2.476 ( -2.219 0.362 2.961) 3.717 2.500 ( -2.785 -1.612 2.651) 4.169 2.588 ( -3.238 2.754 4.892) 6.481 2.640 ( 1.112 3.788 3.655) 5.380 2.673 ( 0.348 -2.528 1.064) 2.765 2.718 ( 1.036 -0.528 -1.907) 2.234 2.747 ( 1.319 0.679 2.724) 3.102 2.821 ( 0.584 -2.805 0.698) 2.949 2.874 ( 2.367 -0.997 2.583) 3.642 2.933 ( 2.060 -5.715 0.022) 6.075 3.142 ( 1.635 3.162 2.925) 4.607 3.165 ( 1.025 0.632 2.397) 2.682 3.267 ( 6.392 0.043 -1.343) 6.531 3.285 ( 6.432 -1.386 1.241) 6.696 3.324 ( -4.998 1.306 3.779) 6.400 3.336 ( -2.715 0.307 3.646) 4.556 3.526 ( -2.400 1.843 -2.645) 4.018 3.545 ( -3.268 0.230 -4.330) 5.430 3.653 ( 0.523 4.311 -1.700) 4.664 3.678 ( 0.344 6.163 -2.170) 6.543 3.799 ( 0.986 -5.111 -0.467) 5.227 3.845 ( -1.629 -5.944 -0.371) 6.174 4.005 ( 0.881 -0.360 -1.692) 1.941 4.008 ( 0.247 -0.693 -0.057) 0.738 4.170 ( 1.088 1.486 -2.915) 3.448 4.189 ( -0.381 -0.071 -1.944) 1.982 4.230 ( -1.651 -0.204 -1.392) 2.169 4.232 ( -1.253 -0.356 -1.477) 1.970 4.305 ( -1.345 2.046 -3.105) 3.954 4.359 ( -1.953 -2.890 -5.659) 6.647 4.868 ( 4.042 0.912 1.284) 4.338 4.889 ( 3.733 -0.948 1.403) 4.099 4.996 ( -1.320 2.731 1.161) 3.248 5.047 ( -1.734 -1.946 0.285) 2.622 5.155 ( -0.502 1.857 1.508) 2.444 5.199 ( -0.226 -1.819 -0.919) 2.050 5.379 ( 2.250 2.480 -0.431) 3.376 5.425 ( 2.270 -1.394 -1.923) 3.286 6.048 ( -1.105 0.603 2.389) 2.701 6.073 ( -0.935 -1.500 1.679) 2.438 6.117 ( 0.918 1.062 -1.762) 2.253 6.138 ( 1.475 -0.826 -2.868) 3.329 7.388 ( 0.060 1.005 0.859) 1.323 7.397 ( -0.006 0.942 0.456) 1.046 7.428 ( -0.094 -0.894 0.275) 0.940 7.439 ( 0.255 -1.261 -0.464) 1.367 8.363 ( 0.112 0.958 0.146) 0.976 8.391 ( 0.264 -1.390 -0.479) 1.493 8.437 ( -0.734 4.300 -1.651) 4.664 8.522 ( -0.721 -3.344 -3.550) 4.930 9.051 ( -0.019 0.740 2.457) 2.567 9.071 ( -0.463 -1.152 2.514) 2.804 9.122 ( -1.194 1.171 2.163) 2.734 9.143 ( -1.402 -0.778 2.063) 2.613 =================== 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 3/15552 10.0 22.448 12.825 30.260 0.000 -0.335 0.000 3/15552 20.0 8.102 4.229 11.839 0.000 -1.455 0.000 3/15552 30.0 4.401 2.275 6.536 0.000 -0.975 0.000 3/15552 40.0 2.923 1.527 4.353 0.000 -0.693 0.000 3/15552 50.0 2.170 1.149 3.227 0.000 -0.527 0.000 3/15552 60.0 1.726 0.925 2.560 0.000 -0.422 0.000 3/15552 70.0 1.435 0.777 2.124 0.000 -0.352 0.000 3/15552 80.0 1.231 0.672 1.818 0.000 -0.302 0.000 3/15552 90.0 1.081 0.593 1.593 0.000 -0.264 0.000 3/15552 100.0 0.965 0.532 1.419 0.000 -0.235 0.000 3/15552 110.0 0.872 0.484 1.281 0.000 -0.212 0.000 3/15552 120.0 0.797 0.443 1.169 0.000 -0.193 0.000 3/15552 130.0 0.735 0.410 1.075 0.000 -0.178 0.000 3/15552 140.0 0.682 0.381 0.996 0.000 -0.164 0.000 3/15552 150.0 0.636 0.356 0.928 0.000 -0.153 0.000 3/15552 160.0 0.597 0.335 0.869 0.000 -0.143 0.000 3/15552 170.0 0.562 0.316 0.818 0.000 -0.134 0.000 3/15552 180.0 0.531 0.299 0.772 0.000 -0.126 0.000 3/15552 190.0 0.504 0.284 0.731 0.000 -0.120 0.000 3/15552 200.0 0.479 0.270 0.695 0.000 -0.113 0.000 3/15552 210.0 0.457 0.257 0.662 0.000 -0.108 0.000 3/15552 220.0 0.437 0.246 0.632 0.000 -0.103 0.000 3/15552 230.0 0.418 0.236 0.604 0.000 -0.098 0.000 3/15552 240.0 0.401 0.226 0.579 0.000 -0.094 0.000 3/15552 250.0 0.386 0.218 0.556 0.000 -0.090 0.000 3/15552 260.0 0.371 0.210 0.535 0.000 -0.087 0.000 3/15552 270.0 0.358 0.202 0.515 0.000 -0.083 0.000 3/15552 280.0 0.345 0.195 0.497 0.000 -0.080 0.000 3/15552 290.0 0.334 0.189 0.480 0.000 -0.077 0.000 3/15552 300.0 0.323 0.183 0.464 0.000 -0.075 0.000 3/15552 310.0 0.313 0.177 0.450 0.000 -0.072 0.000 3/15552 320.0 0.303 0.172 0.436 0.000 -0.070 0.000 3/15552 330.0 0.295 0.167 0.423 0.000 -0.068 0.000 3/15552 340.0 0.286 0.162 0.410 0.000 -0.066 0.000 3/15552 350.0 0.278 0.157 0.399 0.000 -0.064 0.000 3/15552 360.0 0.271 0.153 0.388 0.000 -0.062 0.000 3/15552 370.0 0.264 0.149 0.377 0.000 -0.060 0.000 3/15552 380.0 0.257 0.145 0.368 0.000 -0.059 0.000 3/15552 390.0 0.250 0.142 0.358 0.000 -0.057 0.000 3/15552 400.0 0.244 0.138 0.349 0.000 -0.056 0.000 3/15552 410.0 0.239 0.135 0.341 0.000 -0.054 0.000 3/15552 420.0 0.233 0.132 0.333 0.000 -0.053 0.000 3/15552 430.0 0.228 0.129 0.325 0.000 -0.052 0.000 3/15552 440.0 0.223 0.126 0.318 0.000 -0.051 0.000 3/15552 450.0 0.218 0.123 0.311 0.000 -0.049 0.000 3/15552 460.0 0.213 0.121 0.304 0.000 -0.048 0.000 3/15552 470.0 0.209 0.118 0.298 0.000 -0.047 0.000 3/15552 480.0 0.205 0.116 0.292 0.000 -0.046 0.000 3/15552 490.0 0.201 0.114 0.286 0.000 -0.045 0.000 3/15552 500.0 0.197 0.111 0.280 0.000 -0.044 0.000 3/15552 510.0 0.193 0.109 0.275 0.000 -0.044 0.000 3/15552 520.0 0.189 0.107 0.270 0.000 -0.043 0.000 3/15552 530.0 0.186 0.105 0.265 0.000 -0.042 0.000 3/15552 540.0 0.183 0.103 0.260 0.000 -0.041 0.000 3/15552 550.0 0.179 0.101 0.255 0.000 -0.040 0.000 3/15552 560.0 0.176 0.100 0.251 0.000 -0.040 0.000 3/15552 570.0 0.173 0.098 0.246 0.000 -0.039 0.000 3/15552 580.0 0.170 0.096 0.242 0.000 -0.038 0.000 3/15552 590.0 0.167 0.095 0.238 0.000 -0.038 0.000 3/15552 600.0 0.165 0.093 0.234 0.000 -0.037 0.000 3/15552 610.0 0.162 0.092 0.230 0.000 -0.036 0.000 3/15552 620.0 0.160 0.090 0.227 0.000 -0.036 0.000 3/15552 630.0 0.157 0.089 0.223 0.000 -0.035 0.000 3/15552 640.0 0.155 0.087 0.220 0.000 -0.035 0.000 3/15552 650.0 0.152 0.086 0.216 0.000 -0.034 0.000 3/15552 660.0 0.150 0.085 0.213 0.000 -0.034 0.000 3/15552 670.0 0.148 0.084 0.210 0.000 -0.033 0.000 3/15552 680.0 0.146 0.082 0.207 0.000 -0.033 0.000 3/15552 690.0 0.144 0.081 0.204 0.000 -0.032 0.000 3/15552 700.0 0.142 0.080 0.201 0.000 -0.032 0.000 3/15552 710.0 0.140 0.079 0.198 0.000 -0.031 0.000 3/15552 720.0 0.138 0.078 0.195 0.000 -0.031 0.000 3/15552 730.0 0.136 0.077 0.193 0.000 -0.030 0.000 3/15552 740.0 0.134 0.076 0.190 0.000 -0.030 0.000 3/15552 750.0 0.133 0.075 0.188 0.000 -0.029 0.000 3/15552 760.0 0.131 0.074 0.185 0.000 -0.029 0.000 3/15552 770.0 0.129 0.073 0.183 0.000 -0.029 0.000 3/15552 780.0 0.128 0.072 0.181 0.000 -0.028 0.000 3/15552 790.0 0.126 0.071 0.178 0.000 -0.028 0.000 3/15552 800.0 0.124 0.070 0.176 0.000 -0.028 0.000 3/15552 810.0 0.123 0.069 0.174 0.000 -0.027 0.000 3/15552 820.0 0.121 0.069 0.172 0.000 -0.027 0.000 3/15552 830.0 0.120 0.068 0.170 0.000 -0.027 0.000 3/15552 840.0 0.119 0.067 0.168 0.000 -0.026 0.000 3/15552 850.0 0.117 0.066 0.166 0.000 -0.026 0.000 3/15552 860.0 0.116 0.065 0.164 0.000 -0.026 0.000 3/15552 870.0 0.115 0.065 0.162 0.000 -0.025 0.000 3/15552 880.0 0.113 0.064 0.160 0.000 -0.025 0.000 3/15552 890.0 0.112 0.063 0.158 0.000 -0.025 0.000 3/15552 900.0 0.111 0.063 0.157 0.000 -0.024 0.000 3/15552 910.0 0.110 0.062 0.155 0.000 -0.024 0.000 3/15552 920.0 0.109 0.061 0.153 0.000 -0.024 0.000 3/15552 930.0 0.107 0.061 0.152 0.000 -0.024 0.000 3/15552 940.0 0.106 0.060 0.150 0.000 -0.023 0.000 3/15552 950.0 0.105 0.059 0.148 0.000 -0.023 0.000 3/15552 960.0 0.104 0.059 0.147 0.000 -0.023 0.000 3/15552 970.0 0.103 0.058 0.145 0.000 -0.023 0.000 3/15552 980.0 0.102 0.058 0.144 0.000 -0.022 0.000 3/15552 990.0 0.101 0.057 0.143 0.000 -0.022 0.000 3/15552 1000.0 0.100 0.056 0.141 0.000 -0.022 0.000 3/15552 Thermal conductivity related properties were written into "kappa-m839.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:06:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|