----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:59:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 6.778966810838305 0.000000000000000 0.000000000000000 b 0.000000000000000 15.392556620000004 0.000000000000000 c -2.271385944347770 0.000000000000000 5.277428721797492 Atomic positions (fractional): *1 Na 0.55261970230007 0.83197041887519 0.01682019832981 22.990 2 Na 0.44738029769993 0.16802958112481 0.98317980167019 22.990 3 Na 0.55261970230007 0.66802958112481 0.51682019832981 22.990 4 Na 0.44738029769993 0.33197041887519 0.48317980167019 22.990 *5 Na 0.77961965970758 0.47114713165391 0.16595779801448 22.990 6 Na 0.22038034029242 0.97114713165391 0.33404220198552 22.990 7 Na 0.22038034029242 0.52885286834609 0.83404220198552 22.990 8 Na 0.77961965970758 0.02885286834609 0.66595779801448 22.990 *9 S 0.38404114347134 0.14491804479705 0.45184502582741 32.065 10 S 0.38404114347134 0.35508195520295 0.95184502582741 32.065 11 S 0.61595885652866 0.64491804479705 0.04815497417259 32.065 12 S 0.61595885652866 0.85508195520295 0.54815497417259 32.065 *13 S 0.81993321991729 0.06561941059567 0.17313921742646 32.065 14 S 0.18006678008271 0.56561941059567 0.32686078257354 32.065 15 S 0.18006678008271 0.93438058940433 0.82686078257354 32.065 16 S 0.81993321991729 0.43438058940433 0.67313921742646 32.065 *17 S 0.96764169437964 0.30701109157309 0.19925374194619 32.065 18 S 0.03235830562036 0.80701109157309 0.30074625805381 32.065 19 S 0.03235830562036 0.69298890842691 0.80074625805381 32.065 20 S 0.96764169437964 0.19298890842691 0.69925374194619 32.065 *21 Ge 0.04346788686080 0.32939286984155 0.85232487681162 72.640 22 Ge 0.95653211313920 0.82939286984155 0.64767512318838 72.640 23 Ge 0.95653211313920 0.67060713015845 0.14767512318838 72.640 24 Ge 0.04346788686080 0.17060713015845 0.35232487681162 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.778966810838305 0.000000000000000 0.000000000000000 b 0.000000000000000 15.392556620000004 0.000000000000000 c -2.271385944347770 0.000000000000000 5.277428721797492 Atomic positions (fractional): *1 Na 0.55261970230007 0.83197041887519 0.01682019832981 22.990 > 1 2 Na 0.44738029769993 0.16802958112481 0.98317980167019 22.990 > 2 3 Na 0.55261970230007 0.66802958112481 0.51682019832981 22.990 > 3 4 Na 0.44738029769993 0.33197041887519 0.48317980167019 22.990 > 4 *5 Na 0.77961965970758 0.47114713165391 0.16595779801448 22.990 > 5 6 Na 0.22038034029242 0.97114713165391 0.33404220198552 22.990 > 6 7 Na 0.22038034029242 0.52885286834609 0.83404220198552 22.990 > 7 8 Na 0.77961965970758 0.02885286834609 0.66595779801448 22.990 > 8 *9 S 0.38404114347134 0.14491804479705 0.45184502582741 32.065 > 9 10 S 0.38404114347134 0.35508195520295 0.95184502582741 32.065 > 10 11 S 0.61595885652866 0.64491804479705 0.04815497417259 32.065 > 11 12 S 0.61595885652866 0.85508195520295 0.54815497417259 32.065 > 12 *13 S 0.81993321991729 0.06561941059567 0.17313921742646 32.065 > 13 14 S 0.18006678008271 0.56561941059567 0.32686078257354 32.065 > 14 15 S 0.18006678008271 0.93438058940433 0.82686078257354 32.065 > 15 16 S 0.81993321991729 0.43438058940433 0.67313921742646 32.065 > 16 *17 S 0.96764169437964 0.30701109157309 0.19925374194619 32.065 > 17 18 S 0.03235830562036 0.80701109157309 0.30074625805381 32.065 > 18 19 S 0.03235830562036 0.69298890842691 0.80074625805381 32.065 > 19 20 S 0.96764169437964 0.19298890842691 0.69925374194619 32.065 > 20 *21 Ge 0.04346788686080 0.32939286984155 0.85232487681162 72.640 > 21 22 Ge 0.95653211313920 0.82939286984155 0.64767512318838 72.640 > 22 23 Ge 0.95653211313920 0.67060713015845 0.14767512318838 72.640 > 23 24 Ge 0.04346788686080 0.17060713015845 0.35232487681162 72.640 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.557933621676611 0.000000000000000 0.000000000000000 b 0.000000000000000 15.392556620000004 0.000000000000000 c -6.814157833043311 0.000000000000000 15.832286165392475 Atomic positions (fractional): *1 Na 0.27630985115004 0.83197041887519 0.00560673277660 22.990 > 1 2 Na 0.77630985115004 0.83197041887519 0.00560673277660 22.990 > 1 3 Na 0.27630985115004 0.83197041887519 0.33894006610994 22.990 > 1 4 Na 0.77630985115004 0.83197041887519 0.33894006610994 22.990 > 1 5 Na 0.27630985115004 0.83197041887519 0.67227339944327 22.990 > 1 6 Na 0.77630985115004 0.83197041887519 0.67227339944327 22.990 > 1 7 Na 0.22369014884996 0.16802958112481 0.32772660055673 22.990 > 2 8 Na 0.72369014884996 0.16802958112481 0.32772660055673 22.990 > 2 9 Na 0.22369014884996 0.16802958112481 0.66105993389006 22.990 > 2 10 Na 0.72369014884996 0.16802958112481 0.66105993389006 22.990 > 2 11 Na 0.22369014884996 0.16802958112481 0.99439326722340 22.990 > 2 12 Na 0.72369014884996 0.16802958112481 0.99439326722340 22.990 > 2 13 Na 0.27630985115004 0.66802958112481 0.17227339944327 22.990 > 3 14 Na 0.77630985115004 0.66802958112481 0.17227339944327 22.990 > 3 15 Na 0.27630985115004 0.66802958112481 0.50560673277660 22.990 > 3 16 Na 0.77630985115004 0.66802958112481 0.50560673277660 22.990 > 3 17 Na 0.27630985115004 0.66802958112481 0.83894006610994 22.990 > 3 18 Na 0.77630985115004 0.66802958112481 0.83894006610994 22.990 > 3 19 Na 0.22369014884996 0.33197041887519 0.16105993389006 22.990 > 4 20 Na 0.72369014884996 0.33197041887519 0.16105993389006 22.990 > 4 21 Na 0.22369014884996 0.33197041887519 0.49439326722340 22.990 > 4 22 Na 0.72369014884996 0.33197041887519 0.49439326722340 22.990 > 4 23 Na 0.22369014884996 0.33197041887519 0.82772660055673 22.990 > 4 24 Na 0.72369014884996 0.33197041887519 0.82772660055673 22.990 > 4 *25 Na 0.38980982985379 0.47114713165391 0.05531926600483 22.990 > 5 26 Na 0.88980982985379 0.47114713165391 0.05531926600483 22.990 > 5 27 Na 0.38980982985379 0.47114713165391 0.38865259933816 22.990 > 5 28 Na 0.88980982985379 0.47114713165391 0.38865259933816 22.990 > 5 29 Na 0.38980982985379 0.47114713165391 0.72198593267149 22.990 > 5 30 Na 0.88980982985379 0.47114713165391 0.72198593267149 22.990 > 5 31 Na 0.11019017014621 0.97114713165391 0.11134740066184 22.990 > 6 32 Na 0.61019017014621 0.97114713165391 0.11134740066184 22.990 > 6 33 Na 0.11019017014621 0.97114713165391 0.44468073399517 22.990 > 6 34 Na 0.61019017014621 0.97114713165391 0.44468073399517 22.990 > 6 35 Na 0.11019017014621 0.97114713165391 0.77801406732851 22.990 > 6 36 Na 0.61019017014621 0.97114713165391 0.77801406732851 22.990 > 6 37 Na 0.11019017014621 0.52885286834609 0.27801406732851 22.990 > 7 38 Na 0.61019017014621 0.52885286834609 0.27801406732851 22.990 > 7 39 Na 0.11019017014621 0.52885286834609 0.61134740066184 22.990 > 7 40 Na 0.61019017014621 0.52885286834609 0.61134740066184 22.990 > 7 41 Na 0.11019017014621 0.52885286834609 0.94468073399517 22.990 > 7 42 Na 0.61019017014621 0.52885286834609 0.94468073399517 22.990 > 7 43 Na 0.38980982985379 0.02885286834609 0.22198593267149 22.990 > 8 44 Na 0.88980982985379 0.02885286834609 0.22198593267149 22.990 > 8 45 Na 0.38980982985379 0.02885286834609 0.55531926600483 22.990 > 8 46 Na 0.88980982985379 0.02885286834609 0.55531926600483 22.990 > 8 47 Na 0.38980982985379 0.02885286834609 0.88865259933816 22.990 > 8 48 Na 0.88980982985379 0.02885286834609 0.88865259933816 22.990 > 8 *49 S 0.19202057173567 0.14491804479705 0.15061500860914 32.065 > 9 50 S 0.69202057173567 0.14491804479705 0.15061500860914 32.065 > 9 51 S 0.19202057173567 0.14491804479705 0.48394834194247 32.065 > 9 52 S 0.69202057173567 0.14491804479705 0.48394834194247 32.065 > 9 53 S 0.19202057173567 0.14491804479705 0.81728167527580 32.065 > 9 54 S 0.69202057173567 0.14491804479705 0.81728167527580 32.065 > 9 55 S 0.19202057173567 0.35508195520295 0.31728167527580 32.065 > 10 56 S 0.69202057173567 0.35508195520295 0.31728167527580 32.065 > 10 57 S 0.19202057173567 0.35508195520295 0.65061500860914 32.065 > 10 58 S 0.69202057173567 0.35508195520295 0.65061500860914 32.065 > 10 59 S 0.19202057173567 0.35508195520295 0.98394834194247 32.065 > 10 60 S 0.69202057173567 0.35508195520295 0.98394834194247 32.065 > 10 61 S 0.30797942826433 0.64491804479705 0.01605165805753 32.065 > 11 62 S 0.80797942826433 0.64491804479705 0.01605165805753 32.065 > 11 63 S 0.30797942826433 0.64491804479705 0.34938499139086 32.065 > 11 64 S 0.80797942826433 0.64491804479705 0.34938499139086 32.065 > 11 65 S 0.30797942826433 0.64491804479705 0.68271832472420 32.065 > 11 66 S 0.80797942826433 0.64491804479705 0.68271832472420 32.065 > 11 67 S 0.30797942826433 0.85508195520295 0.18271832472420 32.065 > 12 68 S 0.80797942826433 0.85508195520295 0.18271832472420 32.065 > 12 69 S 0.30797942826433 0.85508195520295 0.51605165805753 32.065 > 12 70 S 0.80797942826433 0.85508195520295 0.51605165805753 32.065 > 12 71 S 0.30797942826433 0.85508195520295 0.84938499139086 32.065 > 12 72 S 0.80797942826433 0.85508195520295 0.84938499139086 32.065 > 12 *73 S 0.40996660995865 0.06561941059567 0.05771307247549 32.065 > 13 74 S 0.90996660995865 0.06561941059567 0.05771307247549 32.065 > 13 75 S 0.40996660995865 0.06561941059567 0.39104640580882 32.065 > 13 76 S 0.90996660995865 0.06561941059567 0.39104640580882 32.065 > 13 77 S 0.40996660995865 0.06561941059567 0.72437973914215 32.065 > 13 78 S 0.90996660995865 0.06561941059567 0.72437973914215 32.065 > 13 79 S 0.09003339004135 0.56561941059567 0.10895359419118 32.065 > 14 80 S 0.59003339004135 0.56561941059567 0.10895359419118 32.065 > 14 81 S 0.09003339004135 0.56561941059567 0.44228692752451 32.065 > 14 82 S 0.59003339004135 0.56561941059567 0.44228692752451 32.065 > 14 83 S 0.09003339004135 0.56561941059567 0.77562026085785 32.065 > 14 84 S 0.59003339004135 0.56561941059567 0.77562026085785 32.065 > 14 85 S 0.09003339004135 0.93438058940433 0.27562026085785 32.065 > 15 86 S 0.59003339004135 0.93438058940433 0.27562026085785 32.065 > 15 87 S 0.09003339004135 0.93438058940433 0.60895359419118 32.065 > 15 88 S 0.59003339004135 0.93438058940433 0.60895359419118 32.065 > 15 89 S 0.09003339004135 0.93438058940433 0.94228692752451 32.065 > 15 90 S 0.59003339004135 0.93438058940433 0.94228692752451 32.065 > 15 91 S 0.40996660995865 0.43438058940433 0.22437973914215 32.065 > 16 92 S 0.90996660995865 0.43438058940433 0.22437973914215 32.065 > 16 93 S 0.40996660995865 0.43438058940433 0.55771307247549 32.065 > 16 94 S 0.90996660995865 0.43438058940433 0.55771307247549 32.065 > 16 95 S 0.40996660995865 0.43438058940433 0.89104640580882 32.065 > 16 96 S 0.90996660995865 0.43438058940433 0.89104640580882 32.065 > 16 *97 S 0.48382084718982 0.30701109157309 0.06641791398206 32.065 > 17 98 S 0.98382084718982 0.30701109157309 0.06641791398206 32.065 > 17 99 S 0.48382084718982 0.30701109157309 0.39975124731540 32.065 > 17 100 S 0.98382084718982 0.30701109157309 0.39975124731540 32.065 > 17 101 S 0.48382084718982 0.30701109157309 0.73308458064873 32.065 > 17 102 S 0.98382084718982 0.30701109157309 0.73308458064873 32.065 > 17 103 S 0.01617915281018 0.80701109157309 0.10024875268460 32.065 > 18 104 S 0.51617915281018 0.80701109157309 0.10024875268460 32.065 > 18 105 S 0.01617915281018 0.80701109157309 0.43358208601794 32.065 > 18 106 S 0.51617915281018 0.80701109157309 0.43358208601794 32.065 > 18 107 S 0.01617915281018 0.80701109157309 0.76691541935127 32.065 > 18 108 S 0.51617915281018 0.80701109157309 0.76691541935127 32.065 > 18 109 S 0.01617915281018 0.69298890842691 0.26691541935127 32.065 > 19 110 S 0.51617915281018 0.69298890842691 0.26691541935127 32.065 > 19 111 S 0.01617915281018 0.69298890842691 0.60024875268460 32.065 > 19 112 S 0.51617915281018 0.69298890842691 0.60024875268460 32.065 > 19 113 S 0.01617915281018 0.69298890842691 0.93358208601794 32.065 > 19 114 S 0.51617915281018 0.69298890842691 0.93358208601794 32.065 > 19 115 S 0.48382084718982 0.19298890842691 0.23308458064873 32.065 > 20 116 S 0.98382084718982 0.19298890842691 0.23308458064873 32.065 > 20 117 S 0.48382084718982 0.19298890842691 0.56641791398206 32.065 > 20 118 S 0.98382084718982 0.19298890842691 0.56641791398206 32.065 > 20 119 S 0.48382084718982 0.19298890842691 0.89975124731540 32.065 > 20 120 S 0.98382084718982 0.19298890842691 0.89975124731540 32.065 > 20 *121 Ge 0.02173394343040 0.32939286984155 0.28410829227054 72.640 > 21 122 Ge 0.52173394343040 0.32939286984155 0.28410829227054 72.640 > 21 123 Ge 0.02173394343040 0.32939286984155 0.61744162560387 72.640 > 21 124 Ge 0.52173394343040 0.32939286984155 0.61744162560387 72.640 > 21 125 Ge 0.02173394343040 0.32939286984155 0.95077495893721 72.640 > 21 126 Ge 0.52173394343040 0.32939286984155 0.95077495893721 72.640 > 21 127 Ge 0.47826605656960 0.82939286984155 0.21589170772946 72.640 > 22 128 Ge 0.97826605656960 0.82939286984155 0.21589170772946 72.640 > 22 129 Ge 0.47826605656960 0.82939286984155 0.54922504106279 72.640 > 22 130 Ge 0.97826605656960 0.82939286984155 0.54922504106279 72.640 > 22 131 Ge 0.47826605656960 0.82939286984155 0.88255837439613 72.640 > 22 132 Ge 0.97826605656960 0.82939286984155 0.88255837439613 72.640 > 22 133 Ge 0.47826605656960 0.67060713015845 0.04922504106279 72.640 > 23 134 Ge 0.97826605656960 0.67060713015845 0.04922504106279 72.640 > 23 135 Ge 0.47826605656960 0.67060713015845 0.38255837439613 72.640 > 23 136 Ge 0.97826605656960 0.67060713015845 0.38255837439613 72.640 > 23 137 Ge 0.47826605656960 0.67060713015845 0.71589170772946 72.640 > 23 138 Ge 0.97826605656960 0.67060713015845 0.71589170772946 72.640 > 23 139 Ge 0.02173394343040 0.17060713015845 0.11744162560387 72.640 > 24 140 Ge 0.52173394343040 0.17060713015845 0.11744162560387 72.640 > 24 141 Ge 0.02173394343040 0.17060713015845 0.45077495893721 72.640 > 24 142 Ge 0.52173394343040 0.17060713015845 0.45077495893721 72.640 > 24 143 Ge 0.02173394343040 0.17060713015845 0.78410829227054 72.640 > 24 144 Ge 0.52173394343040 0.17060713015845 0.78410829227054 72.640 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3765963 0.0000000 -0.2031407 0.0000000 4.4675304 0.0000000 -0.2031417 0.0000000 4.5497749 -------------------------- Born effective charges -------------------------- 1 Na 1.2147203 -0.1642797 0.0519966 -0.0344719 0.9462810 -0.0117018 0.1138051 -0.1145825 1.2129338 2 Na 1.2147203 -0.1642797 0.0519966 -0.0344719 0.9462810 -0.0117018 0.1138051 -0.1145825 1.2129338 3 Na 1.2147203 0.1642797 0.0519966 0.0344719 0.9462810 0.0117018 0.1138051 0.1145825 1.2129338 4 Na 1.2147203 0.1642797 0.0519966 0.0344719 0.9462810 0.0117018 0.1138051 0.1145825 1.2129338 5 Na 1.0870555 0.1529437 -0.0007880 0.0996173 1.5157883 0.0354152 -0.0379446 0.1202991 1.0571490 6 Na 1.0870555 -0.1529437 -0.0007880 -0.0996173 1.5157883 -0.0354152 -0.0379446 -0.1202991 1.0571490 7 Na 1.0870555 0.1529437 -0.0007880 0.0996173 1.5157883 0.0354152 -0.0379446 0.1202991 1.0571490 8 Na 1.0870555 -0.1529437 -0.0007880 -0.0996173 1.5157883 -0.0354152 -0.0379446 -0.1202991 1.0571490 9 S -2.0119557 0.2610040 -0.1625554 0.3131539 -1.3665600 0.0402458 -0.1834771 0.2173033 -1.3705678 10 S -2.0119557 -0.2610040 -0.1625554 -0.3131539 -1.3665600 -0.0402458 -0.1834771 -0.2173033 -1.3705678 11 S -2.0119557 -0.2610040 -0.1625554 -0.3131539 -1.3665600 -0.0402458 -0.1834771 -0.2173033 -1.3705678 12 S -2.0119557 0.2610040 -0.1625554 0.3131539 -1.3665600 0.0402458 -0.1834771 0.2173033 -1.3705678 13 S -1.5519286 -0.3459691 -0.1213981 -0.3127269 -1.9837846 -0.4349651 -0.1176775 -0.2628880 -1.7025517 14 S -1.5519286 0.3459691 -0.1213981 0.3127269 -1.9837846 0.4349651 -0.1176775 0.2628880 -1.7025517 15 S -1.5519286 -0.3459691 -0.1213981 -0.3127269 -1.9837846 -0.4349651 -0.1176775 -0.2628880 -1.7025517 16 S -1.5519286 0.3459691 -0.1213981 0.3127269 -1.9837846 0.4349651 -0.1176775 0.2628880 -1.7025517 17 S -1.3175971 -0.0526111 0.5207979 -0.0566056 -1.7979637 0.3886189 0.4752681 0.6985182 -1.8361905 18 S -1.3175971 0.0526111 0.5207979 0.0566056 -1.7979637 -0.3886189 0.4752681 -0.6985182 -1.8361905 19 S -1.3175971 -0.0526111 0.5207979 -0.0566056 -1.7979637 0.3886189 0.4752681 0.6985182 -1.8361905 20 S -1.3175971 0.0526111 0.5207979 0.0566056 -1.7979637 -0.3886189 0.4752681 -0.6985182 -1.8361905 21 Ge 2.5797057 -0.4197624 -0.2880529 0.2315059 2.6862389 -0.5193865 -0.2499740 0.4949702 2.6392272 22 Ge 2.5797057 0.4197624 -0.2880529 -0.2315059 2.6862389 0.5193865 -0.2499740 -0.4949702 2.6392272 23 Ge 2.5797057 -0.4197624 -0.2880529 0.2315059 2.6862389 -0.5193865 -0.2499740 0.4949702 2.6392272 24 Ge 2.5797057 0.4197624 -0.2880529 -0.2315059 2.6862389 0.5193865 -0.2499740 -0.4949702 2.6392272 ---------------------------------------------------------------------------- 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) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 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) 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: 3 / 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) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 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, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), 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, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 2.026 Solver_block: 200 / 720 - Time: 1.659 Solver_block: 300 / 720 - Time: 1.676 Solver_block: 400 / 720 - Time: 1.976 Solver_block: 500 / 720 - Time: 1.683 Solver_block: 600 / 720 - Time: 1.893 Solver_block: 700 / 720 - Time: 1.937 Solver_block: 720 / 720 - Time: 0.619 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.081 --------------------------------- 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) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 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) 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: 3 / 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) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 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, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), 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, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), 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 2026-01-07 20:00:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:00:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.778966810838305 0.000000000000000 0.000000000000000 b 0.000000000000000 15.392556620000004 0.000000000000000 c -2.271385944347770 0.000000000000000 5.277428721797492 Atomic positions (fractional): 1 Na 0.55261970230007 0.83197041887519 0.01682019832981 22.990 2 Na 0.44738029769993 0.16802958112481 0.98317980167019 22.990 3 Na 0.55261970230007 0.66802958112481 0.51682019832981 22.990 4 Na 0.44738029769993 0.33197041887519 0.48317980167019 22.990 5 Na 0.77961965970758 0.47114713165391 0.16595779801448 22.990 6 Na 0.22038034029242 0.97114713165391 0.33404220198552 22.990 7 Na 0.22038034029242 0.52885286834609 0.83404220198552 22.990 8 Na 0.77961965970758 0.02885286834609 0.66595779801448 22.990 9 S 0.38404114347134 0.14491804479705 0.45184502582741 32.065 10 S 0.38404114347134 0.35508195520295 0.95184502582741 32.065 11 S 0.61595885652866 0.64491804479705 0.04815497417259 32.065 12 S 0.61595885652866 0.85508195520295 0.54815497417259 32.065 13 S 0.81993321991729 0.06561941059567 0.17313921742646 32.065 14 S 0.18006678008271 0.56561941059567 0.32686078257354 32.065 15 S 0.18006678008271 0.93438058940433 0.82686078257354 32.065 16 S 0.81993321991729 0.43438058940433 0.67313921742646 32.065 17 S 0.96764169437964 0.30701109157309 0.19925374194619 32.065 18 S 0.03235830562036 0.80701109157309 0.30074625805381 32.065 19 S 0.03235830562036 0.69298890842691 0.80074625805381 32.065 20 S 0.96764169437964 0.19298890842691 0.69925374194619 32.065 21 Ge 0.04346788686080 0.32939286984155 0.85232487681162 72.640 22 Ge 0.95653211313920 0.82939286984155 0.64767512318838 72.640 23 Ge 0.95653211313920 0.67060713015845 0.14767512318838 72.640 24 Ge 0.04346788686080 0.17060713015845 0.35232487681162 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.557933621676611 0.000000000000000 0.000000000000000 b 0.000000000000000 15.392556620000004 0.000000000000000 c -6.814157833043311 0.000000000000000 15.832286165392475 Atomic positions (fractional): 1 Na 0.27630985115004 0.83197041887519 0.00560673277660 22.990 > 1 2 Na 0.77630985115004 0.83197041887519 0.00560673277660 22.990 > 1 3 Na 0.27630985115004 0.83197041887519 0.33894006610994 22.990 > 1 4 Na 0.77630985115004 0.83197041887519 0.33894006610994 22.990 > 1 5 Na 0.27630985115004 0.83197041887519 0.67227339944327 22.990 > 1 6 Na 0.77630985115004 0.83197041887519 0.67227339944327 22.990 > 1 7 Na 0.22369014884996 0.16802958112481 0.32772660055673 22.990 > 7 8 Na 0.72369014884996 0.16802958112481 0.32772660055673 22.990 > 7 9 Na 0.22369014884996 0.16802958112481 0.66105993389006 22.990 > 7 10 Na 0.72369014884996 0.16802958112481 0.66105993389006 22.990 > 7 11 Na 0.22369014884996 0.16802958112481 0.99439326722340 22.990 > 7 12 Na 0.72369014884996 0.16802958112481 0.99439326722340 22.990 > 7 13 Na 0.27630985115004 0.66802958112481 0.17227339944327 22.990 > 13 14 Na 0.77630985115004 0.66802958112481 0.17227339944327 22.990 > 13 15 Na 0.27630985115004 0.66802958112481 0.50560673277660 22.990 > 13 16 Na 0.77630985115004 0.66802958112481 0.50560673277660 22.990 > 13 17 Na 0.27630985115004 0.66802958112481 0.83894006610994 22.990 > 13 18 Na 0.77630985115004 0.66802958112481 0.83894006610994 22.990 > 13 19 Na 0.22369014884996 0.33197041887519 0.16105993389006 22.990 > 19 20 Na 0.72369014884996 0.33197041887519 0.16105993389006 22.990 > 19 21 Na 0.22369014884996 0.33197041887519 0.49439326722340 22.990 > 19 22 Na 0.72369014884996 0.33197041887519 0.49439326722340 22.990 > 19 23 Na 0.22369014884996 0.33197041887519 0.82772660055673 22.990 > 19 24 Na 0.72369014884996 0.33197041887519 0.82772660055673 22.990 > 19 25 Na 0.38980982985379 0.47114713165391 0.05531926600483 22.990 > 25 26 Na 0.88980982985379 0.47114713165391 0.05531926600483 22.990 > 25 27 Na 0.38980982985379 0.47114713165391 0.38865259933816 22.990 > 25 28 Na 0.88980982985379 0.47114713165391 0.38865259933816 22.990 > 25 29 Na 0.38980982985379 0.47114713165391 0.72198593267149 22.990 > 25 30 Na 0.88980982985379 0.47114713165391 0.72198593267149 22.990 > 25 31 Na 0.11019017014621 0.97114713165391 0.11134740066184 22.990 > 31 32 Na 0.61019017014621 0.97114713165391 0.11134740066184 22.990 > 31 33 Na 0.11019017014621 0.97114713165391 0.44468073399517 22.990 > 31 34 Na 0.61019017014621 0.97114713165391 0.44468073399517 22.990 > 31 35 Na 0.11019017014621 0.97114713165391 0.77801406732851 22.990 > 31 36 Na 0.61019017014621 0.97114713165391 0.77801406732851 22.990 > 31 37 Na 0.11019017014621 0.52885286834609 0.27801406732851 22.990 > 37 38 Na 0.61019017014621 0.52885286834609 0.27801406732851 22.990 > 37 39 Na 0.11019017014621 0.52885286834609 0.61134740066184 22.990 > 37 40 Na 0.61019017014621 0.52885286834609 0.61134740066184 22.990 > 37 41 Na 0.11019017014621 0.52885286834609 0.94468073399517 22.990 > 37 42 Na 0.61019017014621 0.52885286834609 0.94468073399517 22.990 > 37 43 Na 0.38980982985379 0.02885286834609 0.22198593267149 22.990 > 43 44 Na 0.88980982985379 0.02885286834609 0.22198593267149 22.990 > 43 45 Na 0.38980982985379 0.02885286834609 0.55531926600483 22.990 > 43 46 Na 0.88980982985379 0.02885286834609 0.55531926600483 22.990 > 43 47 Na 0.38980982985379 0.02885286834609 0.88865259933816 22.990 > 43 48 Na 0.88980982985379 0.02885286834609 0.88865259933816 22.990 > 43 49 S 0.19202057173567 0.14491804479705 0.15061500860914 32.065 > 49 50 S 0.69202057173567 0.14491804479705 0.15061500860914 32.065 > 49 51 S 0.19202057173567 0.14491804479705 0.48394834194247 32.065 > 49 52 S 0.69202057173567 0.14491804479705 0.48394834194247 32.065 > 49 53 S 0.19202057173567 0.14491804479705 0.81728167527580 32.065 > 49 54 S 0.69202057173567 0.14491804479705 0.81728167527580 32.065 > 49 55 S 0.19202057173567 0.35508195520295 0.31728167527580 32.065 > 55 56 S 0.69202057173567 0.35508195520295 0.31728167527580 32.065 > 55 57 S 0.19202057173567 0.35508195520295 0.65061500860914 32.065 > 55 58 S 0.69202057173567 0.35508195520295 0.65061500860914 32.065 > 55 59 S 0.19202057173567 0.35508195520295 0.98394834194247 32.065 > 55 60 S 0.69202057173567 0.35508195520295 0.98394834194247 32.065 > 55 61 S 0.30797942826433 0.64491804479705 0.01605165805753 32.065 > 61 62 S 0.80797942826433 0.64491804479705 0.01605165805753 32.065 > 61 63 S 0.30797942826433 0.64491804479705 0.34938499139086 32.065 > 61 64 S 0.80797942826433 0.64491804479705 0.34938499139086 32.065 > 61 65 S 0.30797942826433 0.64491804479705 0.68271832472420 32.065 > 61 66 S 0.80797942826433 0.64491804479705 0.68271832472420 32.065 > 61 67 S 0.30797942826433 0.85508195520295 0.18271832472420 32.065 > 67 68 S 0.80797942826433 0.85508195520295 0.18271832472420 32.065 > 67 69 S 0.30797942826433 0.85508195520295 0.51605165805753 32.065 > 67 70 S 0.80797942826433 0.85508195520295 0.51605165805753 32.065 > 67 71 S 0.30797942826433 0.85508195520295 0.84938499139086 32.065 > 67 72 S 0.80797942826433 0.85508195520295 0.84938499139086 32.065 > 67 73 S 0.40996660995865 0.06561941059567 0.05771307247549 32.065 > 73 74 S 0.90996660995865 0.06561941059567 0.05771307247549 32.065 > 73 75 S 0.40996660995865 0.06561941059567 0.39104640580882 32.065 > 73 76 S 0.90996660995865 0.06561941059567 0.39104640580882 32.065 > 73 77 S 0.40996660995865 0.06561941059567 0.72437973914215 32.065 > 73 78 S 0.90996660995865 0.06561941059567 0.72437973914215 32.065 > 73 79 S 0.09003339004135 0.56561941059567 0.10895359419118 32.065 > 79 80 S 0.59003339004135 0.56561941059567 0.10895359419118 32.065 > 79 81 S 0.09003339004135 0.56561941059567 0.44228692752451 32.065 > 79 82 S 0.59003339004135 0.56561941059567 0.44228692752451 32.065 > 79 83 S 0.09003339004135 0.56561941059567 0.77562026085785 32.065 > 79 84 S 0.59003339004135 0.56561941059567 0.77562026085785 32.065 > 79 85 S 0.09003339004135 0.93438058940433 0.27562026085785 32.065 > 85 86 S 0.59003339004135 0.93438058940433 0.27562026085785 32.065 > 85 87 S 0.09003339004135 0.93438058940433 0.60895359419118 32.065 > 85 88 S 0.59003339004135 0.93438058940433 0.60895359419118 32.065 > 85 89 S 0.09003339004135 0.93438058940433 0.94228692752451 32.065 > 85 90 S 0.59003339004135 0.93438058940433 0.94228692752451 32.065 > 85 91 S 0.40996660995865 0.43438058940433 0.22437973914215 32.065 > 91 92 S 0.90996660995865 0.43438058940433 0.22437973914215 32.065 > 91 93 S 0.40996660995865 0.43438058940433 0.55771307247549 32.065 > 91 94 S 0.90996660995865 0.43438058940433 0.55771307247549 32.065 > 91 95 S 0.40996660995865 0.43438058940433 0.89104640580882 32.065 > 91 96 S 0.90996660995865 0.43438058940433 0.89104640580882 32.065 > 91 97 S 0.48382084718982 0.30701109157309 0.06641791398206 32.065 > 97 98 S 0.98382084718982 0.30701109157309 0.06641791398206 32.065 > 97 99 S 0.48382084718982 0.30701109157309 0.39975124731540 32.065 > 97 100 S 0.98382084718982 0.30701109157309 0.39975124731540 32.065 > 97 101 S 0.48382084718982 0.30701109157309 0.73308458064873 32.065 > 97 102 S 0.98382084718982 0.30701109157309 0.73308458064873 32.065 > 97 103 S 0.01617915281018 0.80701109157309 0.10024875268460 32.065 > 103 104 S 0.51617915281018 0.80701109157309 0.10024875268460 32.065 > 103 105 S 0.01617915281018 0.80701109157309 0.43358208601794 32.065 > 103 106 S 0.51617915281018 0.80701109157309 0.43358208601794 32.065 > 103 107 S 0.01617915281018 0.80701109157309 0.76691541935127 32.065 > 103 108 S 0.51617915281018 0.80701109157309 0.76691541935127 32.065 > 103 109 S 0.01617915281018 0.69298890842691 0.26691541935127 32.065 > 109 110 S 0.51617915281018 0.69298890842691 0.26691541935127 32.065 > 109 111 S 0.01617915281018 0.69298890842691 0.60024875268460 32.065 > 109 112 S 0.51617915281018 0.69298890842691 0.60024875268460 32.065 > 109 113 S 0.01617915281018 0.69298890842691 0.93358208601794 32.065 > 109 114 S 0.51617915281018 0.69298890842691 0.93358208601794 32.065 > 109 115 S 0.48382084718982 0.19298890842691 0.23308458064873 32.065 > 115 116 S 0.98382084718982 0.19298890842691 0.23308458064873 32.065 > 115 117 S 0.48382084718982 0.19298890842691 0.56641791398206 32.065 > 115 118 S 0.98382084718982 0.19298890842691 0.56641791398206 32.065 > 115 119 S 0.48382084718982 0.19298890842691 0.89975124731540 32.065 > 115 120 S 0.98382084718982 0.19298890842691 0.89975124731540 32.065 > 115 121 Ge 0.02173394343040 0.32939286984155 0.28410829227054 72.640 > 121 122 Ge 0.52173394343040 0.32939286984155 0.28410829227054 72.640 > 121 123 Ge 0.02173394343040 0.32939286984155 0.61744162560387 72.640 > 121 124 Ge 0.52173394343040 0.32939286984155 0.61744162560387 72.640 > 121 125 Ge 0.02173394343040 0.32939286984155 0.95077495893721 72.640 > 121 126 Ge 0.52173394343040 0.32939286984155 0.95077495893721 72.640 > 121 127 Ge 0.47826605656960 0.82939286984155 0.21589170772946 72.640 > 127 128 Ge 0.97826605656960 0.82939286984155 0.21589170772946 72.640 > 127 129 Ge 0.47826605656960 0.82939286984155 0.54922504106279 72.640 > 127 130 Ge 0.97826605656960 0.82939286984155 0.54922504106279 72.640 > 127 131 Ge 0.47826605656960 0.82939286984155 0.88255837439613 72.640 > 127 132 Ge 0.97826605656960 0.82939286984155 0.88255837439613 72.640 > 127 133 Ge 0.47826605656960 0.67060713015845 0.04922504106279 72.640 > 133 134 Ge 0.97826605656960 0.67060713015845 0.04922504106279 72.640 > 133 135 Ge 0.47826605656960 0.67060713015845 0.38255837439613 72.640 > 133 136 Ge 0.97826605656960 0.67060713015845 0.38255837439613 72.640 > 133 137 Ge 0.47826605656960 0.67060713015845 0.71589170772946 72.640 > 133 138 Ge 0.97826605656960 0.67060713015845 0.71589170772946 72.640 > 133 139 Ge 0.02173394343040 0.17060713015845 0.11744162560387 72.640 > 139 140 Ge 0.52173394343040 0.17060713015845 0.11744162560387 72.640 > 139 141 Ge 0.02173394343040 0.17060713015845 0.45077495893721 72.640 > 139 142 Ge 0.52173394343040 0.17060713015845 0.45077495893721 72.640 > 139 143 Ge 0.02173394343040 0.17060713015845 0.78410829227054 72.640 > 139 144 Ge 0.52173394343040 0.17060713015845 0.78410829227054 72.640 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3765963 0.0000000 -0.2031407 0.0000000 4.4675304 0.0000000 -0.2031417 0.0000000 4.5497749 -------------------------- Born effective charges -------------------------- 1 Na 1.2147203 -0.1642797 0.0519966 -0.0344719 0.9462810 -0.0117018 0.1138051 -0.1145825 1.2129338 2 Na 1.2147203 -0.1642797 0.0519966 -0.0344719 0.9462810 -0.0117018 0.1138051 -0.1145825 1.2129338 3 Na 1.2147203 0.1642797 0.0519966 0.0344719 0.9462810 0.0117018 0.1138051 0.1145825 1.2129338 4 Na 1.2147203 0.1642797 0.0519966 0.0344719 0.9462810 0.0117018 0.1138051 0.1145825 1.2129338 5 Na 1.0870555 0.1529437 -0.0007880 0.0996173 1.5157883 0.0354152 -0.0379446 0.1202991 1.0571490 6 Na 1.0870555 -0.1529437 -0.0007880 -0.0996173 1.5157883 -0.0354152 -0.0379446 -0.1202991 1.0571490 7 Na 1.0870555 0.1529437 -0.0007880 0.0996173 1.5157883 0.0354152 -0.0379446 0.1202991 1.0571490 8 Na 1.0870555 -0.1529437 -0.0007880 -0.0996173 1.5157883 -0.0354152 -0.0379446 -0.1202991 1.0571490 9 S -2.0119557 0.2610040 -0.1625554 0.3131539 -1.3665600 0.0402458 -0.1834771 0.2173033 -1.3705678 10 S -2.0119557 -0.2610040 -0.1625554 -0.3131539 -1.3665600 -0.0402458 -0.1834771 -0.2173033 -1.3705678 11 S -2.0119557 -0.2610040 -0.1625554 -0.3131539 -1.3665600 -0.0402458 -0.1834771 -0.2173033 -1.3705678 12 S -2.0119557 0.2610040 -0.1625554 0.3131539 -1.3665600 0.0402458 -0.1834771 0.2173033 -1.3705678 13 S -1.5519286 -0.3459691 -0.1213981 -0.3127269 -1.9837846 -0.4349651 -0.1176775 -0.2628880 -1.7025517 14 S -1.5519286 0.3459691 -0.1213981 0.3127269 -1.9837846 0.4349651 -0.1176775 0.2628880 -1.7025517 15 S -1.5519286 -0.3459691 -0.1213981 -0.3127269 -1.9837846 -0.4349651 -0.1176775 -0.2628880 -1.7025517 16 S -1.5519286 0.3459691 -0.1213981 0.3127269 -1.9837846 0.4349651 -0.1176775 0.2628880 -1.7025517 17 S -1.3175971 -0.0526111 0.5207979 -0.0566056 -1.7979637 0.3886189 0.4752681 0.6985182 -1.8361905 18 S -1.3175971 0.0526111 0.5207979 0.0566056 -1.7979637 -0.3886189 0.4752681 -0.6985182 -1.8361905 19 S -1.3175971 -0.0526111 0.5207979 -0.0566056 -1.7979637 0.3886189 0.4752681 0.6985182 -1.8361905 20 S -1.3175971 0.0526111 0.5207979 0.0566056 -1.7979637 -0.3886189 0.4752681 -0.6985182 -1.8361905 21 Ge 2.5797057 -0.4197624 -0.2880529 0.2315059 2.6862389 -0.5193865 -0.2499740 0.4949702 2.6392272 22 Ge 2.5797057 0.4197624 -0.2880529 -0.2315059 2.6862389 0.5193865 -0.2499740 -0.4949702 2.6392272 23 Ge 2.5797057 -0.4197624 -0.2880529 0.2315059 2.6862389 -0.5193865 -0.2499740 0.4949702 2.6392272 24 Ge 2.5797057 0.4197624 -0.2880529 -0.2315059 2.6862389 0.5193865 -0.2499740 -0.4949702 2.6392272 ---------------------------------------------------------------------------- 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] 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] [-0.0040 0.0000 0.0092] [ 0.0040 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:01:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:01:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.778966810838305 0.000000000000000 0.000000000000000 b 0.000000000000000 15.392556620000004 0.000000000000000 c -2.271385944347770 0.000000000000000 5.277428721797492 Atomic positions (fractional): 1 Na 0.55261970230007 0.83197041887519 0.01682019832981 22.990 2 Na 0.44738029769993 0.16802958112481 0.98317980167019 22.990 3 Na 0.55261970230007 0.66802958112481 0.51682019832981 22.990 4 Na 0.44738029769993 0.33197041887519 0.48317980167019 22.990 5 Na 0.77961965970758 0.47114713165391 0.16595779801448 22.990 6 Na 0.22038034029242 0.97114713165391 0.33404220198552 22.990 7 Na 0.22038034029242 0.52885286834609 0.83404220198552 22.990 8 Na 0.77961965970758 0.02885286834609 0.66595779801448 22.990 9 S 0.38404114347134 0.14491804479705 0.45184502582741 32.065 10 S 0.38404114347134 0.35508195520295 0.95184502582741 32.065 11 S 0.61595885652866 0.64491804479705 0.04815497417259 32.065 12 S 0.61595885652866 0.85508195520295 0.54815497417259 32.065 13 S 0.81993321991729 0.06561941059567 0.17313921742646 32.065 14 S 0.18006678008271 0.56561941059567 0.32686078257354 32.065 15 S 0.18006678008271 0.93438058940433 0.82686078257354 32.065 16 S 0.81993321991729 0.43438058940433 0.67313921742646 32.065 17 S 0.96764169437964 0.30701109157309 0.19925374194619 32.065 18 S 0.03235830562036 0.80701109157309 0.30074625805381 32.065 19 S 0.03235830562036 0.69298890842691 0.80074625805381 32.065 20 S 0.96764169437964 0.19298890842691 0.69925374194619 32.065 21 Ge 0.04346788686080 0.32939286984155 0.85232487681162 72.640 22 Ge 0.95653211313920 0.82939286984155 0.64767512318838 72.640 23 Ge 0.95653211313920 0.67060713015845 0.14767512318838 72.640 24 Ge 0.04346788686080 0.17060713015845 0.35232487681162 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.557933621676611 0.000000000000000 0.000000000000000 b 0.000000000000000 15.392556620000004 0.000000000000000 c -6.814157833043311 0.000000000000000 15.832286165392475 Atomic positions (fractional): 1 Na 0.27630985115004 0.83197041887519 0.00560673277660 22.990 > 1 2 Na 0.77630985115004 0.83197041887519 0.00560673277660 22.990 > 1 3 Na 0.27630985115004 0.83197041887519 0.33894006610994 22.990 > 1 4 Na 0.77630985115004 0.83197041887519 0.33894006610994 22.990 > 1 5 Na 0.27630985115004 0.83197041887519 0.67227339944327 22.990 > 1 6 Na 0.77630985115004 0.83197041887519 0.67227339944327 22.990 > 1 7 Na 0.22369014884996 0.16802958112481 0.32772660055673 22.990 > 7 8 Na 0.72369014884996 0.16802958112481 0.32772660055673 22.990 > 7 9 Na 0.22369014884996 0.16802958112481 0.66105993389006 22.990 > 7 10 Na 0.72369014884996 0.16802958112481 0.66105993389006 22.990 > 7 11 Na 0.22369014884996 0.16802958112481 0.99439326722340 22.990 > 7 12 Na 0.72369014884996 0.16802958112481 0.99439326722340 22.990 > 7 13 Na 0.27630985115004 0.66802958112481 0.17227339944327 22.990 > 13 14 Na 0.77630985115004 0.66802958112481 0.17227339944327 22.990 > 13 15 Na 0.27630985115004 0.66802958112481 0.50560673277660 22.990 > 13 16 Na 0.77630985115004 0.66802958112481 0.50560673277660 22.990 > 13 17 Na 0.27630985115004 0.66802958112481 0.83894006610994 22.990 > 13 18 Na 0.77630985115004 0.66802958112481 0.83894006610994 22.990 > 13 19 Na 0.22369014884996 0.33197041887519 0.16105993389006 22.990 > 19 20 Na 0.72369014884996 0.33197041887519 0.16105993389006 22.990 > 19 21 Na 0.22369014884996 0.33197041887519 0.49439326722340 22.990 > 19 22 Na 0.72369014884996 0.33197041887519 0.49439326722340 22.990 > 19 23 Na 0.22369014884996 0.33197041887519 0.82772660055673 22.990 > 19 24 Na 0.72369014884996 0.33197041887519 0.82772660055673 22.990 > 19 25 Na 0.38980982985379 0.47114713165391 0.05531926600483 22.990 > 25 26 Na 0.88980982985379 0.47114713165391 0.05531926600483 22.990 > 25 27 Na 0.38980982985379 0.47114713165391 0.38865259933816 22.990 > 25 28 Na 0.88980982985379 0.47114713165391 0.38865259933816 22.990 > 25 29 Na 0.38980982985379 0.47114713165391 0.72198593267149 22.990 > 25 30 Na 0.88980982985379 0.47114713165391 0.72198593267149 22.990 > 25 31 Na 0.11019017014621 0.97114713165391 0.11134740066184 22.990 > 31 32 Na 0.61019017014621 0.97114713165391 0.11134740066184 22.990 > 31 33 Na 0.11019017014621 0.97114713165391 0.44468073399517 22.990 > 31 34 Na 0.61019017014621 0.97114713165391 0.44468073399517 22.990 > 31 35 Na 0.11019017014621 0.97114713165391 0.77801406732851 22.990 > 31 36 Na 0.61019017014621 0.97114713165391 0.77801406732851 22.990 > 31 37 Na 0.11019017014621 0.52885286834609 0.27801406732851 22.990 > 37 38 Na 0.61019017014621 0.52885286834609 0.27801406732851 22.990 > 37 39 Na 0.11019017014621 0.52885286834609 0.61134740066184 22.990 > 37 40 Na 0.61019017014621 0.52885286834609 0.61134740066184 22.990 > 37 41 Na 0.11019017014621 0.52885286834609 0.94468073399517 22.990 > 37 42 Na 0.61019017014621 0.52885286834609 0.94468073399517 22.990 > 37 43 Na 0.38980982985379 0.02885286834609 0.22198593267149 22.990 > 43 44 Na 0.88980982985379 0.02885286834609 0.22198593267149 22.990 > 43 45 Na 0.38980982985379 0.02885286834609 0.55531926600483 22.990 > 43 46 Na 0.88980982985379 0.02885286834609 0.55531926600483 22.990 > 43 47 Na 0.38980982985379 0.02885286834609 0.88865259933816 22.990 > 43 48 Na 0.88980982985379 0.02885286834609 0.88865259933816 22.990 > 43 49 S 0.19202057173567 0.14491804479705 0.15061500860914 32.065 > 49 50 S 0.69202057173567 0.14491804479705 0.15061500860914 32.065 > 49 51 S 0.19202057173567 0.14491804479705 0.48394834194247 32.065 > 49 52 S 0.69202057173567 0.14491804479705 0.48394834194247 32.065 > 49 53 S 0.19202057173567 0.14491804479705 0.81728167527580 32.065 > 49 54 S 0.69202057173567 0.14491804479705 0.81728167527580 32.065 > 49 55 S 0.19202057173567 0.35508195520295 0.31728167527580 32.065 > 55 56 S 0.69202057173567 0.35508195520295 0.31728167527580 32.065 > 55 57 S 0.19202057173567 0.35508195520295 0.65061500860914 32.065 > 55 58 S 0.69202057173567 0.35508195520295 0.65061500860914 32.065 > 55 59 S 0.19202057173567 0.35508195520295 0.98394834194247 32.065 > 55 60 S 0.69202057173567 0.35508195520295 0.98394834194247 32.065 > 55 61 S 0.30797942826433 0.64491804479705 0.01605165805753 32.065 > 61 62 S 0.80797942826433 0.64491804479705 0.01605165805753 32.065 > 61 63 S 0.30797942826433 0.64491804479705 0.34938499139086 32.065 > 61 64 S 0.80797942826433 0.64491804479705 0.34938499139086 32.065 > 61 65 S 0.30797942826433 0.64491804479705 0.68271832472420 32.065 > 61 66 S 0.80797942826433 0.64491804479705 0.68271832472420 32.065 > 61 67 S 0.30797942826433 0.85508195520295 0.18271832472420 32.065 > 67 68 S 0.80797942826433 0.85508195520295 0.18271832472420 32.065 > 67 69 S 0.30797942826433 0.85508195520295 0.51605165805753 32.065 > 67 70 S 0.80797942826433 0.85508195520295 0.51605165805753 32.065 > 67 71 S 0.30797942826433 0.85508195520295 0.84938499139086 32.065 > 67 72 S 0.80797942826433 0.85508195520295 0.84938499139086 32.065 > 67 73 S 0.40996660995865 0.06561941059567 0.05771307247549 32.065 > 73 74 S 0.90996660995865 0.06561941059567 0.05771307247549 32.065 > 73 75 S 0.40996660995865 0.06561941059567 0.39104640580882 32.065 > 73 76 S 0.90996660995865 0.06561941059567 0.39104640580882 32.065 > 73 77 S 0.40996660995865 0.06561941059567 0.72437973914215 32.065 > 73 78 S 0.90996660995865 0.06561941059567 0.72437973914215 32.065 > 73 79 S 0.09003339004135 0.56561941059567 0.10895359419118 32.065 > 79 80 S 0.59003339004135 0.56561941059567 0.10895359419118 32.065 > 79 81 S 0.09003339004135 0.56561941059567 0.44228692752451 32.065 > 79 82 S 0.59003339004135 0.56561941059567 0.44228692752451 32.065 > 79 83 S 0.09003339004135 0.56561941059567 0.77562026085785 32.065 > 79 84 S 0.59003339004135 0.56561941059567 0.77562026085785 32.065 > 79 85 S 0.09003339004135 0.93438058940433 0.27562026085785 32.065 > 85 86 S 0.59003339004135 0.93438058940433 0.27562026085785 32.065 > 85 87 S 0.09003339004135 0.93438058940433 0.60895359419118 32.065 > 85 88 S 0.59003339004135 0.93438058940433 0.60895359419118 32.065 > 85 89 S 0.09003339004135 0.93438058940433 0.94228692752451 32.065 > 85 90 S 0.59003339004135 0.93438058940433 0.94228692752451 32.065 > 85 91 S 0.40996660995865 0.43438058940433 0.22437973914215 32.065 > 91 92 S 0.90996660995865 0.43438058940433 0.22437973914215 32.065 > 91 93 S 0.40996660995865 0.43438058940433 0.55771307247549 32.065 > 91 94 S 0.90996660995865 0.43438058940433 0.55771307247549 32.065 > 91 95 S 0.40996660995865 0.43438058940433 0.89104640580882 32.065 > 91 96 S 0.90996660995865 0.43438058940433 0.89104640580882 32.065 > 91 97 S 0.48382084718982 0.30701109157309 0.06641791398206 32.065 > 97 98 S 0.98382084718982 0.30701109157309 0.06641791398206 32.065 > 97 99 S 0.48382084718982 0.30701109157309 0.39975124731540 32.065 > 97 100 S 0.98382084718982 0.30701109157309 0.39975124731540 32.065 > 97 101 S 0.48382084718982 0.30701109157309 0.73308458064873 32.065 > 97 102 S 0.98382084718982 0.30701109157309 0.73308458064873 32.065 > 97 103 S 0.01617915281018 0.80701109157309 0.10024875268460 32.065 > 103 104 S 0.51617915281018 0.80701109157309 0.10024875268460 32.065 > 103 105 S 0.01617915281018 0.80701109157309 0.43358208601794 32.065 > 103 106 S 0.51617915281018 0.80701109157309 0.43358208601794 32.065 > 103 107 S 0.01617915281018 0.80701109157309 0.76691541935127 32.065 > 103 108 S 0.51617915281018 0.80701109157309 0.76691541935127 32.065 > 103 109 S 0.01617915281018 0.69298890842691 0.26691541935127 32.065 > 109 110 S 0.51617915281018 0.69298890842691 0.26691541935127 32.065 > 109 111 S 0.01617915281018 0.69298890842691 0.60024875268460 32.065 > 109 112 S 0.51617915281018 0.69298890842691 0.60024875268460 32.065 > 109 113 S 0.01617915281018 0.69298890842691 0.93358208601794 32.065 > 109 114 S 0.51617915281018 0.69298890842691 0.93358208601794 32.065 > 109 115 S 0.48382084718982 0.19298890842691 0.23308458064873 32.065 > 115 116 S 0.98382084718982 0.19298890842691 0.23308458064873 32.065 > 115 117 S 0.48382084718982 0.19298890842691 0.56641791398206 32.065 > 115 118 S 0.98382084718982 0.19298890842691 0.56641791398206 32.065 > 115 119 S 0.48382084718982 0.19298890842691 0.89975124731540 32.065 > 115 120 S 0.98382084718982 0.19298890842691 0.89975124731540 32.065 > 115 121 Ge 0.02173394343040 0.32939286984155 0.28410829227054 72.640 > 121 122 Ge 0.52173394343040 0.32939286984155 0.28410829227054 72.640 > 121 123 Ge 0.02173394343040 0.32939286984155 0.61744162560387 72.640 > 121 124 Ge 0.52173394343040 0.32939286984155 0.61744162560387 72.640 > 121 125 Ge 0.02173394343040 0.32939286984155 0.95077495893721 72.640 > 121 126 Ge 0.52173394343040 0.32939286984155 0.95077495893721 72.640 > 121 127 Ge 0.47826605656960 0.82939286984155 0.21589170772946 72.640 > 127 128 Ge 0.97826605656960 0.82939286984155 0.21589170772946 72.640 > 127 129 Ge 0.47826605656960 0.82939286984155 0.54922504106279 72.640 > 127 130 Ge 0.97826605656960 0.82939286984155 0.54922504106279 72.640 > 127 131 Ge 0.47826605656960 0.82939286984155 0.88255837439613 72.640 > 127 132 Ge 0.97826605656960 0.82939286984155 0.88255837439613 72.640 > 127 133 Ge 0.47826605656960 0.67060713015845 0.04922504106279 72.640 > 133 134 Ge 0.97826605656960 0.67060713015845 0.04922504106279 72.640 > 133 135 Ge 0.47826605656960 0.67060713015845 0.38255837439613 72.640 > 133 136 Ge 0.97826605656960 0.67060713015845 0.38255837439613 72.640 > 133 137 Ge 0.47826605656960 0.67060713015845 0.71589170772946 72.640 > 133 138 Ge 0.97826605656960 0.67060713015845 0.71589170772946 72.640 > 133 139 Ge 0.02173394343040 0.17060713015845 0.11744162560387 72.640 > 139 140 Ge 0.52173394343040 0.17060713015845 0.11744162560387 72.640 > 139 141 Ge 0.02173394343040 0.17060713015845 0.45077495893721 72.640 > 139 142 Ge 0.52173394343040 0.17060713015845 0.45077495893721 72.640 > 139 143 Ge 0.02173394343040 0.17060713015845 0.78410829227054 72.640 > 139 144 Ge 0.52173394343040 0.17060713015845 0.78410829227054 72.640 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3765963 0.0000000 -0.2031407 0.0000000 4.4675304 0.0000000 -0.2031417 0.0000000 4.5497749 -------------------------- Born effective charges -------------------------- 1 Na 1.2147203 -0.1642797 0.0519966 -0.0344719 0.9462810 -0.0117018 0.1138051 -0.1145825 1.2129338 2 Na 1.2147203 -0.1642797 0.0519966 -0.0344719 0.9462810 -0.0117018 0.1138051 -0.1145825 1.2129338 3 Na 1.2147203 0.1642797 0.0519966 0.0344719 0.9462810 0.0117018 0.1138051 0.1145825 1.2129338 4 Na 1.2147203 0.1642797 0.0519966 0.0344719 0.9462810 0.0117018 0.1138051 0.1145825 1.2129338 5 Na 1.0870555 0.1529437 -0.0007880 0.0996173 1.5157883 0.0354152 -0.0379446 0.1202991 1.0571490 6 Na 1.0870555 -0.1529437 -0.0007880 -0.0996173 1.5157883 -0.0354152 -0.0379446 -0.1202991 1.0571490 7 Na 1.0870555 0.1529437 -0.0007880 0.0996173 1.5157883 0.0354152 -0.0379446 0.1202991 1.0571490 8 Na 1.0870555 -0.1529437 -0.0007880 -0.0996173 1.5157883 -0.0354152 -0.0379446 -0.1202991 1.0571490 9 S -2.0119557 0.2610040 -0.1625554 0.3131539 -1.3665600 0.0402458 -0.1834771 0.2173033 -1.3705678 10 S -2.0119557 -0.2610040 -0.1625554 -0.3131539 -1.3665600 -0.0402458 -0.1834771 -0.2173033 -1.3705678 11 S -2.0119557 -0.2610040 -0.1625554 -0.3131539 -1.3665600 -0.0402458 -0.1834771 -0.2173033 -1.3705678 12 S -2.0119557 0.2610040 -0.1625554 0.3131539 -1.3665600 0.0402458 -0.1834771 0.2173033 -1.3705678 13 S -1.5519286 -0.3459691 -0.1213981 -0.3127269 -1.9837846 -0.4349651 -0.1176775 -0.2628880 -1.7025517 14 S -1.5519286 0.3459691 -0.1213981 0.3127269 -1.9837846 0.4349651 -0.1176775 0.2628880 -1.7025517 15 S -1.5519286 -0.3459691 -0.1213981 -0.3127269 -1.9837846 -0.4349651 -0.1176775 -0.2628880 -1.7025517 16 S -1.5519286 0.3459691 -0.1213981 0.3127269 -1.9837846 0.4349651 -0.1176775 0.2628880 -1.7025517 17 S -1.3175971 -0.0526111 0.5207979 -0.0566056 -1.7979637 0.3886189 0.4752681 0.6985182 -1.8361905 18 S -1.3175971 0.0526111 0.5207979 0.0566056 -1.7979637 -0.3886189 0.4752681 -0.6985182 -1.8361905 19 S -1.3175971 -0.0526111 0.5207979 -0.0566056 -1.7979637 0.3886189 0.4752681 0.6985182 -1.8361905 20 S -1.3175971 0.0526111 0.5207979 0.0566056 -1.7979637 -0.3886189 0.4752681 -0.6985182 -1.8361905 21 Ge 2.5797057 -0.4197624 -0.2880529 0.2315059 2.6862389 -0.5193865 -0.2499740 0.4949702 2.6392272 22 Ge 2.5797057 0.4197624 -0.2880529 -0.2315059 2.6862389 0.5193865 -0.2499740 -0.4949702 2.6392272 23 Ge 2.5797057 -0.4197624 -0.2880529 0.2315059 2.6862389 -0.5193865 -0.2499740 0.4949702 2.6392272 24 Ge 2.5797057 0.4197624 -0.2880529 -0.2315059 2.6862389 0.5193865 -0.2499740 -0.4949702 2.6392272 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 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: 0.51, Number of G-points: 315, Lambda: 0.11 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-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 0.840 ( 0.000 0.000 0.000) 0.000 1.013 ( 0.000 0.000 0.000) 0.000 1.133 ( 0.000 0.000 0.000) 0.000 1.305 ( 0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.461 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.137 ( 0.000 0.000 0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 9.315 ( 0.000 0.000 0.000) 0.000 9.357 ( 0.000 0.000 0.000) 0.000 10.517 ( 0.000 0.000 0.000) 0.000 10.564 ( 0.000 0.000 0.000) 0.000 10.705 ( 0.000 0.000 0.000) 0.000 10.711 ( 0.000 0.000 0.000) 0.000 11.052 ( 0.000 0.000 0.000) 0.000 11.052 ( 0.000 0.000 0.000) 0.000 11.503 ( 0.000 0.000 0.000) 0.000 11.930 ( 0.000 0.000 0.000) 0.000 11.984 ( 0.000 0.000 0.000) 0.000 12.116 ( 0.000 0.000 0.000) 0.000 12.213 ( 0.000 0.000 0.000) 0.000 12.348 ( 0.000 0.000 0.000) 0.000 12.495 ( 0.000 0.000 0.000) 0.000 12.510 ( 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.279 ( 10.993 0.000 12.831) 16.896 0.320 ( 13.697 0.000 6.633) 15.219 0.762 ( 32.411 0.000 16.803) 36.508 1.003 ( 9.265 0.000 7.330) 11.814 1.166 ( 13.568 0.000 3.846) 14.102 1.230 ( 9.777 0.000 4.467) 10.749 1.410 ( 9.054 0.000 3.661) 9.766 1.662 ( -1.399 0.000 -5.008) 5.200 2.152 ( -5.462 0.000 -1.034) 5.559 2.216 ( 0.002 0.000 5.511) 5.511 2.440 ( -4.779 0.000 -1.449) 4.994 2.462 ( -1.710 0.000 2.262) 2.836 2.601 ( -4.630 0.000 -5.850) 7.461 2.651 ( -3.263 0.000 1.474) 3.580 2.767 ( -2.157 0.000 0.247) 2.171 2.800 ( 1.458 0.000 2.334) 2.752 2.917 ( 7.523 0.000 -4.778) 8.913 2.977 ( -2.027 0.000 -0.676) 2.136 3.095 ( -1.557 0.000 -0.262) 1.579 3.233 ( 4.435 0.000 1.099) 4.569 3.343 ( 2.290 0.000 -7.879) 8.205 3.405 ( -1.634 0.000 -0.196) 1.646 3.442 ( 0.825 0.000 -3.201) 3.305 3.487 ( -0.250 0.000 4.061) 4.069 3.611 ( 3.721 0.000 2.600) 4.539 3.710 ( -2.934 0.000 -0.901) 3.070 3.904 ( -6.217 0.000 3.251) 7.015 3.954 ( -5.489 0.000 -6.782) 8.725 3.956 ( -0.526 0.000 -3.446) 3.486 4.108 ( -0.690 0.000 2.372) 2.470 4.200 ( 0.544 0.000 1.365) 1.470 4.277 ( 4.229 0.000 5.642) 7.051 4.480 ( 2.643 0.000 -0.589) 2.708 4.796 ( -5.399 0.000 0.284) 5.406 4.887 ( -5.485 0.000 -2.481) 6.019 4.965 ( -0.123 0.000 -2.265) 2.269 5.027 ( -1.657 0.000 1.153) 2.019 5.043 ( 2.172 0.000 1.305) 2.534 5.158 ( 1.177 0.000 1.598) 1.985 5.258 ( 0.677 0.000 -2.290) 2.388 5.286 ( 2.880 0.000 -2.017) 3.516 5.324 ( 1.791 0.000 -0.446) 1.846 5.362 ( 1.035 0.000 2.880) 3.060 5.411 ( 2.009 0.000 0.446) 2.058 5.542 ( -0.721 0.000 0.203) 0.749 5.603 ( -1.771 0.000 -0.082) 1.773 5.636 ( 0.438 0.000 0.194) 0.479 5.655 ( -0.346 0.000 3.186) 3.204 6.010 ( 2.848 0.000 1.182) 3.084 6.151 ( 1.320 0.000 -0.200) 1.335 6.172 ( -5.195 0.000 4.694) 7.001 6.218 ( 0.217 0.000 -0.589) 0.628 6.404 ( -1.171 0.000 0.061) 1.172 6.510 ( 1.423 0.000 0.971) 1.723 6.776 ( -3.057 0.000 -1.043) 3.229 7.100 ( -12.052 0.000 3.167) 12.461 9.319 ( 0.744 0.000 -1.004) 1.249 9.386 ( 4.171 0.000 -10.690) 11.475 10.515 ( -0.589 0.000 0.859) 1.041 10.571 ( -2.605 0.000 4.902) 5.551 10.701 ( -0.575 0.000 0.269) 0.635 10.703 ( -0.864 0.000 -0.012) 0.864 11.030 ( -1.448 0.000 -0.605) 1.570 11.049 ( -0.827 0.000 -0.041) 0.828 11.454 ( -3.361 0.000 -2.760) 4.349 11.941 ( -10.493 0.000 -6.460) 12.322 12.022 ( 2.713 0.000 0.679) 2.797 12.122 ( 1.102 0.000 -2.929) 3.130 12.300 ( 6.044 0.000 2.884) 6.697 12.399 ( 4.767 0.000 2.169) 5.238 12.630 ( 7.113 0.000 4.504) 8.419 13.158 ( 0.374 0.000 -4.149) 4.166 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 11.804 0.000 11.408) 16.416 0.610 ( 12.371 0.000 5.260) 13.443 1.181 ( 4.562 0.000 6.930) 8.297 1.401 ( 23.031 0.000 8.817) 24.661 1.484 ( 13.767 0.000 -0.858) 13.794 1.533 ( 13.714 0.000 8.559) 16.166 1.583 ( 4.599 0.000 1.321) 4.785 1.699 ( 11.279 0.000 5.523) 12.558 2.074 ( -0.058 0.000 0.318) 0.323 2.243 ( -1.144 0.000 2.251) 2.525 2.327 ( -5.543 0.000 -0.771) 5.596 2.415 ( -6.076 0.000 0.501) 6.097 2.487 ( -0.330 0.000 -5.771) 5.781 2.595 ( -4.187 0.000 3.232) 5.289 2.697 ( -4.100 0.000 -1.629) 4.412 2.875 ( 4.507 0.000 1.573) 4.773 2.945 ( -1.302 0.000 -0.780) 1.518 2.978 ( 2.905 0.000 -7.043) 7.618 3.020 ( -4.021 0.000 -2.200) 4.583 3.310 ( 0.133 0.000 -2.175) 2.179 3.336 ( -5.525 0.000 -0.718) 5.572 3.354 ( 5.004 0.000 0.661) 5.048 3.429 ( 0.476 0.000 -4.679) 4.703 3.523 ( 0.189 0.000 4.105) 4.110 3.646 ( -4.012 0.000 -2.190) 4.570 3.665 ( -0.373 0.000 1.361) 1.412 3.761 ( -4.917 0.000 1.986) 5.303 3.868 ( -4.039 0.000 0.690) 4.098 3.941 ( 1.837 0.000 -2.977) 3.498 4.117 ( 0.122 0.000 1.692) 1.697 4.199 ( -0.746 0.000 -2.004) 2.139 4.407 ( 4.470 0.000 6.091) 7.555 4.516 ( 2.015 0.000 -1.550) 2.543 4.698 ( -4.209 0.000 -0.423) 4.230 4.776 ( -3.848 0.000 -1.424) 4.103 4.964 ( 0.227 0.000 0.589) 0.631 4.991 ( -1.813 0.000 -0.316) 1.840 5.086 ( 0.282 0.000 1.638) 1.662 5.180 ( 0.559 0.000 0.792) 0.969 5.251 ( 1.336 0.000 -3.511) 3.756 5.337 ( 3.066 0.000 -0.753) 3.157 5.366 ( 2.584 0.000 -0.348) 2.608 5.395 ( -0.407 0.000 3.520) 3.544 5.476 ( 4.890 0.000 -0.391) 4.906 5.531 ( -0.859 0.000 1.338) 1.590 5.567 ( -0.938 0.000 -0.741) 1.195 5.651 ( 1.137 0.000 0.125) 1.144 5.669 ( -0.960 0.000 3.267) 3.405 6.061 ( 1.196 0.000 -0.034) 1.196 6.128 ( -2.528 0.000 2.965) 3.896 6.169 ( 0.524 0.000 -0.565) 0.771 6.217 ( 0.436 0.000 -1.320) 1.390 6.369 ( -2.668 0.000 0.052) 2.668 6.527 ( -0.038 0.000 -0.813) 0.814 6.686 ( -5.094 0.000 -1.837) 5.415 6.876 ( -11.209 0.000 -1.024) 11.256 9.323 ( 0.677 0.000 -1.451) 1.601 9.375 ( 1.556 0.000 -5.295) 5.518 10.510 ( -0.630 0.000 1.001) 1.182 10.561 ( -1.357 0.000 1.872) 2.313 10.680 ( -1.506 0.000 -0.005) 1.506 10.688 ( -1.002 0.000 0.268) 1.037 10.995 ( -1.668 0.000 -0.604) 1.774 11.026 ( -1.236 0.000 -0.543) 1.350 11.366 ( -3.200 0.000 -2.837) 4.277 11.713 ( -8.394 0.000 -4.986) 9.763 12.058 ( 0.738 0.000 -0.044) 0.740 12.121 ( 0.553 0.000 -0.953) 1.102 12.451 ( 6.863 0.000 3.304) 7.617 12.549 ( 8.122 0.000 3.403) 8.806 12.773 ( 4.820 0.000 2.721) 5.535 13.126 ( -0.737 0.000 -2.667) 2.767 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 7.892 0.000 3.186) 8.511 0.863 ( 8.388 0.000 7.436) 11.209 1.293 ( 2.337 0.000 4.738) 5.283 1.515 ( 0.574 0.000 -3.118) 3.170 1.697 ( 7.387 0.000 -0.561) 7.408 1.743 ( 3.784 0.000 2.854) 4.739 1.835 ( 10.855 0.000 4.093) 11.601 1.967 ( 10.170 0.000 4.935) 11.304 2.185 ( -2.211 0.000 -4.354) 4.883 2.209 ( 5.924 0.000 8.298) 10.196 2.283 ( -0.730 0.000 4.186) 4.249 2.290 ( -5.131 0.000 0.530) 5.158 2.496 ( 5.434 0.000 -5.105) 7.456 2.549 ( -4.040 0.000 1.985) 4.501 2.620 ( -2.486 0.000 -1.179) 2.751 2.908 ( -1.833 0.000 -0.919) 2.050 2.918 ( -0.551 0.000 -5.847) 5.873 2.939 ( -2.558 0.000 -1.914) 3.194 2.974 ( 3.069 0.000 -0.018) 3.069 3.209 ( -6.697 0.000 0.612) 6.725 3.292 ( -0.206 0.000 -0.905) 0.928 3.381 ( -1.552 0.000 -3.485) 3.814 3.444 ( 3.779 0.000 0.853) 3.874 3.530 ( -4.273 0.000 -2.550) 4.975 3.553 ( 0.125 0.000 2.618) 2.621 3.629 ( -3.250 0.000 -0.183) 3.255 3.785 ( 1.145 0.000 3.748) 3.919 3.805 ( -2.717 0.000 0.155) 2.721 3.959 ( 1.779 0.000 -1.764) 2.505 4.132 ( -0.143 0.000 0.891) 0.902 4.158 ( -0.609 0.000 -2.947) 3.009 4.507 ( -0.159 0.000 5.590) 5.592 4.547 ( 4.340 0.000 -3.189) 5.386 4.654 ( -0.574 0.000 0.351) 0.673 4.737 ( -0.182 0.000 0.771) 0.792 4.918 ( -3.095 0.000 -0.319) 3.111 5.018 ( 2.172 0.000 0.851) 2.333 5.069 ( -2.651 0.000 0.522) 2.702 5.197 ( 0.663 0.000 0.398) 0.774 5.253 ( 1.447 0.000 -2.524) 2.909 5.353 ( -0.815 0.000 -0.371) 0.895 5.401 ( 1.292 0.000 0.028) 1.293 5.414 ( -0.230 0.000 3.366) 3.374 5.514 ( 0.289 0.000 -0.820) 0.870 5.581 ( 3.731 0.000 0.341) 3.746 5.602 ( 4.519 0.000 1.867) 4.890 5.664 ( -0.061 0.000 -0.125) 0.139 5.682 ( 0.480 0.000 1.443) 1.520 6.052 ( -1.424 0.000 -1.331) 1.949 6.101 ( -2.637 0.000 1.744) 3.162 6.156 ( -0.895 0.000 -0.685) 1.127 6.207 ( -0.567 0.000 -2.306) 2.375 6.311 ( -3.144 0.000 0.263) 3.155 6.502 ( -0.954 0.000 -1.330) 1.637 6.584 ( -3.772 0.000 -1.342) 4.004 6.724 ( -4.327 0.000 -0.481) 4.354 9.323 ( 0.451 0.000 -1.013) 1.109 9.361 ( 0.361 0.000 -2.583) 2.608 10.508 ( -0.251 0.000 0.606) 0.656 10.552 ( -0.772 0.000 0.779) 1.096 10.653 ( -1.169 0.000 -0.091) 1.172 10.671 ( -0.963 0.000 0.176) 0.979 10.966 ( -0.955 0.000 -0.422) 1.044 11.002 ( -0.774 0.000 -0.484) 0.913 11.302 ( -1.690 0.000 -1.561) 2.301 11.566 ( -4.288 0.000 -2.355) 4.893 12.059 ( -0.196 0.000 -0.231) 0.303 12.126 ( 0.355 0.000 -0.205) 0.410 12.582 ( 4.482 0.000 2.126) 4.961 12.711 ( 5.980 0.000 2.496) 6.481 12.850 ( 2.062 0.000 0.959) 2.274 13.092 ( -0.964 0.000 -1.648) 1.909 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 0.000 0.000) 0.000 0.978 ( 0.000 0.000 -0.000) 0.000 1.334 ( 0.000 0.000 -0.000) 0.000 1.510 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 -0.000) 0.000 1.781 ( 0.000 0.000 0.000) 0.000 1.952 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 -0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 -0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 -0.000) 0.000 2.986 ( 0.000 0.000 -0.000) 0.000 3.155 ( 0.000 0.000 -0.000) 0.000 3.287 ( 0.000 0.000 -0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 -0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.567 ( -0.000 0.000 -0.000) 0.000 3.580 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 -0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 -0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 -0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 -0.000) 0.000 5.206 ( 0.000 0.000 -0.000) 0.000 5.258 ( 0.000 0.000 -0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.431 ( -0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 -0.000) 0.000 5.626 ( 0.000 0.000 -0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.668 ( -0.000 0.000 0.000) 0.000 5.694 ( -0.000 0.000 0.000) 0.000 6.015 ( -0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 -0.000) 0.000 6.284 ( 0.000 0.000 -0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 6.687 ( 0.000 0.000 0.000) 0.000 9.323 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 0.000 0.000) 0.000 10.509 ( 0.000 0.000 0.000) 0.000 10.547 ( 0.000 0.000 0.000) 0.000 10.641 ( 0.000 0.000 -0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 10.955 ( 0.000 0.000 -0.000) 0.000 10.992 ( 0.000 0.000 0.000) 0.000 11.280 ( 0.000 0.000 -0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 12.055 ( 0.000 0.000 0.000) 0.000 12.129 ( 0.000 0.000 0.000) 0.000 12.634 ( 0.000 0.000 0.000) 0.000 12.781 ( 0.000 0.000 0.000) 0.000 12.871 ( 0.000 0.000 0.000) 0.000 13.073 ( 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 0.000 17.032 0.000) 17.032 0.461 ( 0.000 19.894 0.000) 19.894 0.705 ( 0.000 -11.211 0.000) 11.211 0.778 ( 0.000 16.735 0.000) 16.735 0.880 ( 0.000 2.920 0.000) 2.920 1.245 ( 0.000 3.891 0.000) 3.891 1.295 ( 0.000 -1.346 0.000) 1.346 1.458 ( 0.000 -21.832 0.000) 21.832 2.080 ( 0.000 5.602 0.000) 5.602 2.195 ( 0.000 -2.655 0.000) 2.655 2.498 ( 0.000 2.782 0.000) 2.782 2.548 ( 0.000 0.182 0.000) 0.182 2.568 ( 0.000 -4.299 0.000) 4.299 2.662 ( 0.000 -7.807 0.000) 7.807 2.718 ( 0.000 0.650 0.000) 0.650 2.742 ( 0.000 -2.214 0.000) 2.214 2.925 ( 0.000 2.998 0.000) 2.998 2.949 ( 0.000 0.929 0.000) 0.929 3.085 ( 0.000 4.162 0.000) 4.162 3.199 ( 0.000 -4.607 0.000) 4.607 3.356 ( 0.000 8.781 0.000) 8.781 3.400 ( 0.000 0.825 0.000) 0.825 3.446 ( 0.000 -0.996 0.000) 0.996 3.473 ( 0.000 -0.835 0.000) 0.835 3.577 ( 0.000 4.097 0.000) 4.097 3.724 ( 0.000 -4.968 0.000) 4.968 3.833 ( 0.000 -4.602 0.000) 4.602 3.860 ( 0.000 -4.133 0.000) 4.133 4.079 ( 0.000 4.290 0.000) 4.290 4.134 ( 0.000 -0.278 0.000) 0.278 4.184 ( 0.000 0.397 0.000) 0.397 4.193 ( 0.000 -0.218 0.000) 0.218 4.594 ( 0.000 11.666 0.000) 11.666 4.851 ( 0.000 -10.148 0.000) 10.148 4.854 ( 0.000 3.171 0.000) 3.171 4.930 ( 0.000 -3.574 0.000) 3.574 5.025 ( 0.000 -0.124 0.000) 0.124 5.026 ( 0.000 -0.298 0.000) 0.298 5.192 ( 0.000 3.973 0.000) 3.973 5.246 ( 0.000 -1.460 0.000) 1.460 5.287 ( 0.000 2.779 0.000) 2.779 5.340 ( 0.000 1.368 0.000) 1.368 5.363 ( 0.000 -0.620 0.000) 0.620 5.382 ( 0.000 1.600 0.000) 1.600 5.560 ( 0.000 1.590 0.000) 1.590 5.615 ( 0.000 -1.775 0.000) 1.775 5.659 ( 0.000 1.886 0.000) 1.886 5.765 ( 0.000 -7.332 0.000) 7.332 5.845 ( 0.000 1.490 0.000) 1.490 5.891 ( 0.000 -3.327 0.000) 3.327 6.223 ( 0.000 0.418 0.000) 0.418 6.235 ( 0.000 -0.570 0.000) 0.570 6.591 ( 0.000 7.158 0.000) 7.158 6.735 ( 0.000 -5.630 0.000) 5.630 7.006 ( 0.000 2.992 0.000) 2.992 7.061 ( 0.000 -1.847 0.000) 1.847 9.326 ( 0.000 0.907 0.000) 0.907 9.347 ( 0.000 -0.847 0.000) 0.847 10.528 ( 0.000 0.982 0.000) 0.982 10.552 ( 0.000 -1.011 0.000) 1.011 10.712 ( 0.000 0.554 0.000) 0.554 10.725 ( 0.000 -0.540 0.000) 0.540 11.054 ( 0.000 0.195 0.000) 0.195 11.059 ( 0.000 -0.238 0.000) 0.238 11.938 ( 0.000 0.760 0.000) 0.760 11.963 ( 0.000 -1.412 0.000) 1.412 12.105 ( 0.000 1.020 0.000) 1.020 12.116 ( 0.000 -0.071 0.000) 0.071 12.368 ( 0.000 1.853 0.000) 1.853 12.426 ( 0.000 -3.343 0.000) 3.343 12.571 ( 0.000 2.710 0.000) 2.710 12.618 ( 0.000 -1.492 0.000) 1.492 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 6.447 17.428 5.580) 19.402 0.740 ( 13.850 16.064 7.270) 22.422 0.872 ( 8.070 -5.965 6.025) 11.705 0.954 ( 12.360 12.936 6.982) 19.206 0.982 ( 19.497 -7.848 8.417) 22.640 1.325 ( 6.595 2.915 4.302) 8.397 1.404 ( 9.198 -1.323 3.191) 9.826 1.476 ( 3.810 -16.935 -1.588) 17.431 2.115 ( 0.629 0.996 1.213) 1.691 2.190 ( -0.268 -3.414 2.772) 4.406 2.447 ( -5.276 2.658 -0.248) 5.913 2.509 ( -1.281 4.022 -0.759) 4.288 2.530 ( -3.150 -4.084 -0.623) 5.195 2.644 ( -2.542 -4.156 -2.027) 5.276 2.722 ( 2.393 -3.294 -1.027) 4.199 2.731 ( -0.258 -2.213 -0.776) 2.359 2.899 ( -1.491 4.677 -1.453) 5.119 2.991 ( 0.703 -2.520 -0.829) 2.744 3.119 ( 2.381 2.163 0.076) 3.217 3.225 ( -0.952 -4.699 -0.987) 4.895 3.341 ( 1.860 3.786 0.628) 4.265 3.409 ( -0.496 -0.713 -1.735) 1.940 3.466 ( 2.314 2.407 0.211) 3.346 3.501 ( 1.250 0.631 -1.048) 1.749 3.606 ( 1.280 1.891 2.659) 3.505 3.701 ( -2.132 -2.653 -0.399) 3.427 3.834 ( -2.867 -4.556 1.878) 5.701 3.852 ( -0.114 -4.034 0.037) 4.036 4.020 ( -2.816 3.216 -4.630) 6.301 4.061 ( -1.641 -1.090 -3.210) 3.766 4.228 ( 1.488 2.255 4.180) 4.977 4.277 ( 2.750 -1.545 6.626) 7.339 4.616 ( 2.114 10.459 -1.191) 10.737 4.799 ( -3.445 -2.465 -1.801) 4.603 4.838 ( -2.878 -0.827 -0.213) 3.002 4.914 ( -0.809 -4.994 0.416) 5.077 5.014 ( -0.228 0.203 -1.537) 1.567 5.039 ( 1.241 -1.315 -0.201) 1.819 5.177 ( -1.189 2.712 0.001) 2.962 5.231 ( -0.253 -2.041 -3.012) 3.647 5.310 ( 2.644 2.526 -0.167) 3.661 5.356 ( 2.614 1.282 -2.198) 3.648 5.375 ( 0.203 -0.131 1.457) 1.477 5.389 ( -0.723 -0.349 3.281) 3.378 5.561 ( 0.502 1.990 -0.309) 2.075 5.606 ( 0.819 -1.165 -0.986) 1.732 5.661 ( -0.162 1.129 0.808) 1.398 5.696 ( -3.681 0.044 3.253) 4.913 5.930 ( 2.985 -1.456 0.882) 3.436 5.981 ( 5.245 -6.233 2.335) 8.474 6.222 ( 0.333 1.831 -0.019) 1.861 6.257 ( 1.016 -1.487 1.592) 2.404 6.570 ( -2.362 7.688 -1.287) 8.145 6.672 ( -6.565 1.688 -2.079) 7.090 6.794 ( -8.491 7.401 -1.986) 11.438 6.989 ( -10.392 -7.991 0.092) 13.110 9.330 ( 0.971 0.977 -1.525) 2.055 9.358 ( 2.308 -1.517 -4.236) 5.057 10.522 ( -0.682 1.018 0.609) 1.369 10.551 ( -0.968 -1.383 1.598) 2.325 10.707 ( -0.642 0.456 0.230) 0.820 10.714 ( -1.114 -0.004 0.295) 1.153 11.037 ( -1.344 0.522 -0.475) 1.518 11.048 ( -1.021 -0.391 -0.365) 1.153 11.709 ( -13.522 12.091 -5.908) 19.077 11.879 ( -9.846 -4.911 -5.125) 12.138 12.059 ( 1.053 2.245 -1.108) 2.716 12.101 ( 1.303 -1.594 -2.143) 2.972 12.338 ( 3.271 2.448 1.805) 4.467 12.382 ( 3.527 -1.462 1.924) 4.275 12.707 ( 8.297 6.937 3.966) 11.519 12.924 ( 9.584 -13.093 2.172) 16.371 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 9.243 12.336 7.728) 17.244 0.902 ( 5.712 19.682 2.666) 20.667 1.033 ( 6.330 -11.468 5.787) 14.320 1.292 ( 5.169 -14.742 4.269) 16.195 1.448 ( 20.451 3.830 7.145) 21.999 1.512 ( 14.999 -0.036 1.935) 15.124 1.640 ( 12.007 0.597 4.800) 12.945 1.671 ( 12.188 -2.395 5.811) 13.713 2.132 ( 2.201 4.687 2.973) 5.971 2.238 ( 0.484 -3.412 5.430) 6.431 2.334 ( -6.016 2.683 -1.966) 6.874 2.402 ( -7.100 -2.116 -2.024) 7.680 2.512 ( 0.819 2.782 -2.357) 3.737 2.574 ( -3.164 -1.605 0.875) 3.654 2.728 ( 0.169 -0.725 0.284) 0.797 2.778 ( 3.723 -6.738 -2.174) 8.000 2.862 ( 0.210 4.142 -2.283) 4.734 2.973 ( -0.990 -1.940 -2.071) 3.005 3.102 ( -2.217 2.258 -3.050) 4.395 3.194 ( -1.930 -7.199 -0.931) 7.511 3.364 ( -0.720 3.051 -1.535) 3.490 3.387 ( -0.043 1.217 -0.412) 1.286 3.475 ( -0.669 2.307 -1.971) 3.107 3.506 ( -0.120 -0.797 1.672) 1.856 3.608 ( -3.441 -2.277 1.003) 4.246 3.635 ( -4.891 -2.246 -1.221) 5.518 3.789 ( -1.104 2.539 2.640) 3.826 3.857 ( 0.125 -2.751 -0.245) 2.765 3.948 ( -1.383 2.120 -2.530) 3.579 4.027 ( -0.645 -5.088 -1.330) 5.298 4.290 ( 2.106 6.019 2.234) 6.756 4.387 ( 3.678 -2.437 5.893) 7.362 4.634 ( 1.118 7.287 -2.303) 7.723 4.716 ( -3.102 -0.374 -1.705) 3.559 4.783 ( -2.160 2.979 -0.179) 3.684 4.909 ( -0.772 -5.479 0.645) 5.571 4.997 ( -0.115 0.802 -1.517) 1.720 5.051 ( -0.354 -3.135 0.391) 3.179 5.158 ( -0.982 0.474 0.354) 1.146 5.202 ( -0.729 -2.816 -1.758) 3.398 5.364 ( 0.034 1.588 2.772) 3.195 5.376 ( 0.157 0.311 0.791) 0.864 5.387 ( 3.137 1.295 -1.061) 3.556 5.442 ( 4.776 -2.727 -0.227) 5.504 5.576 ( 1.234 3.853 0.443) 4.070 5.641 ( 3.287 -1.002 -1.532) 3.763 5.657 ( -1.131 1.600 0.923) 2.166 5.678 ( -1.412 0.552 4.503) 4.752 5.974 ( 1.025 -0.935 -0.298) 1.419 6.039 ( 0.514 -5.025 0.617) 5.088 6.230 ( -0.029 2.846 -0.004) 2.846 6.281 ( 0.455 -0.760 0.439) 0.989 6.461 ( -6.141 9.077 -1.571) 11.071 6.562 ( -4.251 1.316 -1.693) 4.761 6.685 ( -4.105 0.466 -1.270) 4.322 6.779 ( -9.393 -7.341 -0.968) 11.961 9.333 ( 0.802 0.925 -1.938) 2.292 9.358 ( 1.258 -1.243 -3.646) 4.052 10.516 ( -0.591 0.831 0.865) 1.337 10.544 ( -0.946 -1.387 1.191) 2.059 10.691 ( -1.352 0.418 -0.007) 1.415 10.692 ( -1.327 0.251 0.473) 1.431 11.004 ( -1.533 0.754 -0.653) 1.829 11.021 ( -1.366 -0.571 -0.660) 1.621 11.486 ( -6.739 8.786 -4.049) 11.790 11.652 ( -8.439 -5.546 -4.815) 11.187 12.077 ( 0.629 1.470 -0.404) 1.649 12.108 ( 0.571 -1.159 -0.828) 1.535 12.469 ( 6.796 1.620 3.342) 7.745 12.515 ( 7.274 -2.381 3.428) 8.386 12.851 ( 4.782 6.542 1.771) 8.295 13.021 ( 2.304 -8.020 -0.688) 8.373 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 6.696 8.132 5.955) 12.100 1.026 ( 5.241 13.187 1.255) 14.245 1.180 ( 4.082 -7.783 5.200) 10.212 1.355 ( 2.391 -12.626 0.268) 12.853 1.720 ( 6.970 1.443 -1.026) 7.191 1.738 ( 5.800 -0.092 0.669) 5.839 1.872 ( 8.763 2.065 3.860) 9.796 1.931 ( 9.414 -2.806 4.754) 10.913 2.211 ( -3.701 2.269 -2.219) 4.875 2.244 ( 0.506 1.937 4.504) 4.929 2.265 ( -3.788 -1.599 0.219) 4.118 2.283 ( 0.459 -0.525 4.675) 4.726 2.529 ( 3.905 2.708 -2.025) 5.166 2.563 ( 0.463 0.974 0.994) 1.466 2.727 ( -1.411 5.974 0.255) 6.144 2.802 ( 2.377 -4.391 -1.443) 5.198 2.901 ( 3.842 -0.982 -0.592) 4.009 2.934 ( -1.141 -1.283 -2.037) 2.664 3.028 ( -2.450 2.376 -3.503) 4.891 3.105 ( -5.604 -6.111 -2.438) 8.643 3.335 ( -0.228 0.655 -1.135) 1.331 3.368 ( -2.007 -0.365 -0.241) 2.054 3.454 ( -0.010 2.852 -0.333) 2.872 3.519 ( -1.179 -1.700 1.890) 2.802 3.527 ( -2.840 -1.796 -0.784) 3.450 3.536 ( -4.439 -4.422 -0.428) 6.281 3.823 ( 1.651 2.267 0.727) 2.897 3.845 ( -1.357 2.076 2.072) 3.232 3.935 ( 1.050 -0.725 -1.258) 1.792 4.009 ( -0.616 -6.195 -0.811) 6.278 4.329 ( 1.076 9.998 -0.096) 10.056 4.491 ( 2.899 -3.936 3.914) 6.262 4.615 ( -0.489 5.076 -2.698) 5.769 4.691 ( 0.756 -0.968 0.275) 1.259 4.755 ( -1.034 5.030 -0.146) 5.138 4.875 ( -2.547 -4.150 -0.150) 4.872 4.992 ( -0.232 -0.765 -0.296) 0.852 5.042 ( -0.278 -4.852 0.288) 4.869 5.136 ( -1.574 0.668 -0.332) 1.742 5.190 ( 0.455 -2.988 -0.065) 3.023 5.367 ( -0.221 -0.037 0.873) 0.902 5.382 ( -0.517 -1.321 1.517) 2.077 5.461 ( 3.480 3.207 0.218) 4.737 5.515 ( 2.746 -1.486 -1.356) 3.404 5.628 ( 3.406 4.395 1.950) 5.892 5.655 ( -0.012 1.741 1.500) 2.298 5.665 ( -0.043 -0.244 0.585) 0.635 5.723 ( 3.226 0.509 1.299) 3.515 5.961 ( -1.433 -0.884 -1.381) 2.177 6.037 ( -0.482 -4.229 0.124) 4.258 6.207 ( -1.641 3.245 -1.266) 3.851 6.262 ( -2.208 0.776 -2.432) 3.375 6.368 ( -3.165 3.532 0.814) 4.812 6.448 ( -5.237 -2.898 -1.503) 6.171 6.619 ( -1.890 1.809 -0.800) 2.736 6.671 ( -2.513 -3.506 -0.304) 4.324 9.331 ( 0.420 0.731 -1.275) 1.529 9.350 ( 0.384 -0.871 -2.032) 2.244 10.514 ( -0.277 0.667 0.547) 0.906 10.537 ( -0.565 -1.187 0.622) 1.454 10.665 ( -1.175 0.677 -0.028) 1.356 10.672 ( -1.061 0.004 0.171) 1.075 10.976 ( -0.931 0.830 -0.472) 1.334 10.994 ( -0.848 -0.690 -0.521) 1.211 11.377 ( -2.847 6.047 -1.892) 6.946 11.509 ( -4.063 -5.010 -2.268) 6.837 12.078 ( -0.064 1.505 -0.268) 1.530 12.111 ( 0.220 -1.294 -0.248) 1.335 12.602 ( 4.604 1.886 2.206) 5.442 12.660 ( 5.103 -3.222 2.362) 6.481 12.920 ( 2.038 5.138 0.463) 5.546 13.035 ( 0.309 -4.710 -0.858) 4.797 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.000 6.225 0.000) 6.225 1.084 ( 0.000 10.913 -0.000) 10.913 1.242 ( 0.000 -5.809 -0.000) 5.809 1.383 ( 0.000 -10.549 0.000) 10.549 1.775 ( 0.000 1.028 -0.000) 1.028 1.779 ( -0.000 0.039 0.000) 0.039 1.967 ( 0.000 1.691 0.000) 1.691 2.033 ( 0.000 -3.600 0.000) 3.600 2.174 ( 0.000 1.351 0.000) 1.351 2.194 ( 0.000 -0.914 0.000) 0.914 2.293 ( 0.000 -0.256 -0.000) 0.256 2.320 ( 0.000 -1.529 -0.000) 1.529 2.553 ( 0.000 4.748 0.000) 4.748 2.594 ( 0.000 1.533 0.000) 1.533 2.700 ( 0.000 7.529 -0.000) 7.529 2.856 ( -0.000 -5.546 -0.000) 5.546 2.889 ( 0.000 1.527 0.000) 1.527 2.966 ( 0.000 3.694 0.000) 3.694 2.972 ( -0.000 0.117 -0.000) 0.117 3.018 ( 0.000 -6.925 0.000) 6.925 3.334 ( 0.000 -0.543 0.000) 0.543 3.341 ( 0.000 -1.623 -0.000) 1.623 3.458 ( 0.000 -0.554 0.000) 0.554 3.474 ( -0.000 0.888 0.000) 0.888 3.490 ( -0.000 -3.015 0.000) 3.015 3.531 ( 0.000 -2.896 0.000) 2.896 3.831 ( 0.000 3.835 -0.000) 3.835 3.855 ( 0.000 1.927 -0.000) 1.927 3.946 ( 0.000 -1.579 0.000) 1.579 3.994 ( 0.000 -6.295 0.000) 6.295 4.336 ( 0.000 11.286 0.000) 11.286 4.537 ( 0.000 -5.538 -0.000) 5.538 4.598 ( 0.000 5.684 0.000) 5.684 4.706 ( 0.000 -3.695 0.000) 3.695 4.743 ( 0.000 5.994 -0.000) 5.994 4.848 ( 0.000 -3.266 -0.000) 3.266 4.983 ( 0.000 -1.259 0.000) 1.259 5.043 ( 0.000 -7.693 0.000) 7.693 5.116 ( 0.000 3.873 -0.000) 3.873 5.198 ( 0.000 -3.043 -0.000) 3.043 5.370 ( 0.000 -0.348 -0.000) 0.348 5.382 ( -0.000 -1.971 0.000) 1.971 5.496 ( 0.000 3.499 0.000) 3.499 5.529 ( 0.000 -0.092 -0.000) 0.092 5.663 ( -0.000 0.025 0.000) 0.025 5.663 ( 0.000 0.110 -0.000) 0.110 5.689 ( 0.000 4.814 0.000) 4.814 5.774 ( 0.000 1.224 0.000) 1.224 5.930 ( -0.000 -0.032 0.000) 0.032 6.032 ( 0.000 -4.422 0.000) 4.422 6.181 ( 0.000 2.284 0.000) 2.284 6.207 ( 0.000 1.471 0.000) 1.471 6.345 ( 0.000 2.438 -0.000) 2.438 6.394 ( 0.000 -4.370 0.000) 4.370 6.600 ( 0.000 2.461 0.000) 2.461 6.650 ( 0.000 -2.543 0.000) 2.543 9.330 ( 0.000 0.572 0.000) 0.572 9.345 ( 0.000 -0.656 0.000) 0.656 10.513 ( 0.000 0.577 0.000) 0.577 10.534 ( 0.000 -1.059 0.000) 1.059 10.653 ( 0.000 0.724 -0.000) 0.724 10.662 ( 0.000 -0.072 0.000) 0.072 10.965 ( 0.000 0.831 -0.000) 0.831 10.984 ( 0.000 -0.737 0.000) 0.737 11.344 ( 0.000 5.262 -0.000) 5.262 11.463 ( 0.000 -4.690 0.000) 4.690 12.075 ( 0.000 1.637 0.000) 1.637 12.112 ( 0.000 -1.436 0.000) 1.436 12.656 ( 0.000 2.036 0.000) 2.036 12.720 ( 0.000 -3.610 0.000) 3.610 12.941 ( 0.000 4.450 0.000) 4.450 13.032 ( 0.000 -3.526 -0.000) 3.526 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -2.380 0.000 21.443) 21.575 0.446 ( 15.392 0.000 21.156) 26.163 0.866 ( -7.962 0.000 39.521) 40.315 0.969 ( 6.510 0.000 9.820) 11.782 1.096 ( 0.681 0.000 6.872) 6.905 1.314 ( -5.225 0.000 16.632) 17.433 1.362 ( 2.819 0.000 5.349) 6.046 1.532 ( 0.880 0.000 -7.877) 7.926 2.073 ( 6.596 0.000 -0.779) 6.642 2.377 ( 0.979 0.000 6.755) 6.825 2.548 ( -5.739 0.000 7.594) 9.518 2.590 ( -3.520 0.000 7.187) 8.003 2.730 ( -6.004 0.000 5.977) 8.472 2.767 ( -2.699 0.000 0.554) 2.756 2.768 ( 1.838 0.000 6.646) 6.895 2.774 ( -2.046 0.000 3.959) 4.456 2.930 ( -7.332 0.000 4.670) 8.693 2.935 ( -1.038 0.000 1.765) 2.048 3.045 ( 2.101 0.000 0.373) 2.134 3.201 ( -1.030 0.000 -0.720) 1.257 3.271 ( -0.563 0.000 3.185) 3.234 3.362 ( 1.293 0.000 -2.096) 2.463 3.413 ( -1.148 0.000 -5.427) 5.547 3.480 ( 3.582 0.000 -0.561) 3.625 3.608 ( 0.963 0.000 4.576) 4.676 3.731 ( -0.536 0.000 -0.621) 0.821 3.924 ( 2.317 0.000 -1.042) 2.541 3.927 ( -4.761 0.000 -2.722) 5.485 4.006 ( -5.029 0.000 -3.297) 6.013 4.065 ( 4.666 0.000 3.086) 5.595 4.279 ( 0.069 0.000 7.810) 7.810 4.299 ( 1.846 0.000 6.177) 6.447 4.442 ( -0.113 0.000 -0.487) 0.500 4.762 ( 3.823 0.000 -4.736) 6.086 4.883 ( 1.792 0.000 -7.184) 7.404 4.919 ( -1.854 0.000 -3.275) 3.763 5.021 ( 0.531 0.000 -0.501) 0.730 5.033 ( 0.833 0.000 -1.335) 1.573 5.109 ( 4.013 0.000 -1.059) 4.150 5.222 ( -0.689 0.000 -4.368) 4.422 5.268 ( -3.697 0.000 -0.148) 3.700 5.313 ( -0.181 0.000 -0.062) 0.191 5.373 ( 0.904 0.000 -1.977) 2.174 5.374 ( 1.011 0.000 2.011) 2.251 5.530 ( 1.100 0.000 -1.248) 1.664 5.624 ( -0.117 0.000 0.067) 0.135 5.630 ( -0.176 0.000 -0.764) 0.784 5.826 ( -4.324 0.000 1.818) 4.691 5.974 ( 3.472 0.000 0.282) 3.484 6.150 ( -0.757 0.000 0.536) 0.928 6.218 ( -0.648 0.000 0.161) 0.668 6.430 ( -0.686 0.000 1.422) 1.578 6.492 ( 0.345 0.000 0.380) 0.513 6.655 ( -15.828 0.000 -4.043) 16.336 6.810 ( -1.155 0.000 -0.139) 1.164 7.090 ( 13.214 0.000 -3.491) 13.668 9.380 ( -3.529 0.000 6.022) 6.980 9.625 ( -17.515 0.000 3.308) 17.825 10.590 ( -2.840 0.000 6.278) 6.890 10.661 ( 1.891 0.000 -4.104) 4.518 10.679 ( 1.407 0.000 -3.109) 3.413 11.040 ( -0.403 0.000 -0.567) 0.696 11.058 ( -0.100 0.000 0.181) 0.206 11.079 ( -24.328 0.000 -0.553) 24.334 11.501 ( -3.450 0.000 -0.067) 3.451 11.918 ( 8.967 0.000 -2.482) 9.304 11.968 ( 2.531 0.000 -1.720) 3.060 12.044 ( -9.219 0.000 -5.942) 10.968 12.251 ( 3.554 0.000 3.264) 4.825 12.370 ( 1.270 0.000 2.006) 2.374 12.522 ( 7.871 0.000 0.900) 7.923 12.588 ( 22.050 0.000 -0.632) 22.059 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 3.664 0.000 19.623) 19.962 0.859 ( 4.940 0.000 25.959) 26.425 1.183 ( 12.508 0.000 23.726) 26.821 1.239 ( 8.749 0.000 0.029) 8.749 1.263 ( 11.170 0.000 12.834) 17.014 1.432 ( 4.334 0.000 16.554) 17.112 1.514 ( 5.232 0.000 5.614) 7.674 1.567 ( 9.150 0.000 4.473) 10.185 2.086 ( -0.592 0.000 -0.992) 1.156 2.417 ( -1.828 0.000 1.599) 2.428 2.454 ( -9.689 0.000 8.313) 12.766 2.557 ( -5.427 0.000 5.274) 7.568 2.638 ( -9.323 0.000 7.411) 11.910 2.743 ( -2.185 0.000 -1.028) 2.415 2.774 ( -4.026 0.000 7.870) 8.840 2.827 ( 0.197 0.000 1.386) 1.400 2.899 ( 1.139 0.000 3.100) 3.303 2.906 ( 0.595 0.000 -2.366) 2.440 3.065 ( -3.444 0.000 -0.168) 3.448 3.241 ( 6.129 0.000 -0.228) 6.134 3.282 ( 0.235 0.000 0.872) 0.903 3.344 ( -0.435 0.000 -4.888) 4.907 3.374 ( 0.356 0.000 -1.383) 1.428 3.565 ( 3.148 0.000 2.447) 3.988 3.673 ( 0.713 0.000 4.588) 4.643 3.694 ( -3.074 0.000 -1.239) 3.314 3.841 ( 0.082 0.000 -5.218) 5.219 3.865 ( -5.814 0.000 -0.113) 5.815 3.943 ( -1.152 0.000 0.197) 1.169 4.131 ( 0.858 0.000 1.324) 1.578 4.270 ( -4.780 0.000 3.828) 6.124 4.401 ( 3.412 0.000 5.315) 6.316 4.476 ( 2.273 0.000 1.003) 2.484 4.734 ( -2.289 0.000 -4.899) 5.408 4.812 ( -4.696 0.000 -4.550) 6.539 4.885 ( 3.952 0.000 -5.219) 6.547 5.014 ( -1.599 0.000 -1.954) 2.525 5.068 ( 3.480 0.000 0.809) 3.573 5.157 ( 1.438 0.000 -1.478) 2.062 5.198 ( -1.692 0.000 -3.253) 3.666 5.233 ( 5.090 0.000 -2.487) 5.665 5.323 ( 1.251 0.000 0.065) 1.253 5.380 ( 2.502 0.000 -3.097) 3.981 5.418 ( 1.380 0.000 2.486) 2.843 5.539 ( 0.539 0.000 -0.507) 0.740 5.599 ( -2.260 0.000 -0.315) 2.282 5.619 ( 0.871 0.000 -1.792) 1.993 5.767 ( -3.474 0.000 2.352) 4.195 6.064 ( 3.530 0.000 3.053) 4.667 6.148 ( 0.363 0.000 -0.655) 0.749 6.206 ( -0.597 0.000 -0.532) 0.800 6.359 ( -12.681 0.000 6.720) 14.351 6.418 ( -1.769 0.000 1.070) 2.067 6.518 ( 0.082 0.000 -0.523) 0.529 6.756 ( -4.028 0.000 -1.047) 4.162 7.051 ( -8.113 0.000 -5.573) 9.843 9.364 ( -3.095 0.000 5.490) 6.303 9.420 ( -7.936 0.000 7.185) 10.706 10.582 ( -2.957 0.000 5.372) 6.132 10.654 ( 0.983 0.000 -4.339) 4.448 10.673 ( 0.706 0.000 -3.171) 3.249 10.760 ( -11.993 0.000 8.198) 14.527 11.021 ( -1.265 0.000 -0.192) 1.279 11.044 ( -1.260 0.000 -0.268) 1.288 11.414 ( -4.749 0.000 -0.837) 4.822 11.811 ( -9.364 0.000 -5.483) 10.851 12.002 ( 3.434 0.000 -2.783) 4.420 12.042 ( 4.747 0.000 -3.939) 6.168 12.375 ( 6.113 0.000 3.825) 7.211 12.455 ( 5.744 0.000 2.877) 6.424 12.683 ( 7.398 0.000 0.812) 7.443 12.911 ( 13.838 0.000 -10.268) 17.231 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 4.255 0.000 16.647) 17.183 1.106 ( -1.079 0.000 28.677) 28.698 1.343 ( 6.149 0.000 -6.638) 9.049 1.451 ( -0.656 0.000 15.790) 15.804 1.524 ( 8.977 0.000 4.684) 10.125 1.677 ( 7.791 0.000 5.762) 9.691 1.723 ( 9.905 0.000 9.245) 13.549 1.838 ( 12.144 0.000 7.902) 14.488 2.208 ( 10.580 0.000 10.914) 15.200 2.294 ( -8.269 0.000 1.766) 8.455 2.397 ( -4.990 0.000 4.317) 6.598 2.474 ( -7.513 0.000 4.623) 8.821 2.533 ( -8.441 0.000 8.193) 11.763 2.663 ( -4.140 0.000 -0.978) 4.254 2.731 ( -6.857 0.000 5.364) 8.706 2.837 ( 1.228 0.000 -3.953) 4.139 2.915 ( -0.020 0.000 -0.783) 0.783 2.944 ( 1.206 0.000 3.671) 3.864 2.968 ( -3.987 0.000 -0.909) 4.090 3.289 ( 0.121 0.000 1.006) 1.013 3.306 ( -1.584 0.000 -0.876) 1.810 3.360 ( -1.244 0.000 -0.614) 1.387 3.363 ( 5.630 0.000 0.069) 5.631 3.600 ( -5.348 0.000 -0.202) 5.352 3.612 ( -0.349 0.000 3.135) 3.155 3.663 ( -2.491 0.000 -0.360) 2.517 3.809 ( -2.114 0.000 1.807) 2.782 3.862 ( 4.094 0.000 -3.124) 5.150 3.916 ( -2.395 0.000 3.110) 3.925 4.143 ( -0.170 0.000 0.797) 0.815 4.196 ( -4.756 0.000 1.979) 5.151 4.456 ( 0.978 0.000 -2.386) 2.579 4.552 ( 3.100 0.000 5.330) 6.166 4.654 ( -1.546 0.000 -3.428) 3.761 4.725 ( -0.744 0.000 -3.403) 3.483 4.934 ( 3.427 0.000 -3.588) 4.962 4.944 ( -1.864 0.000 -3.747) 4.185 5.106 ( -0.242 0.000 -0.414) 0.480 5.162 ( 1.072 0.000 -4.697) 4.818 5.174 ( 1.414 0.000 -0.498) 1.499 5.316 ( 4.099 0.000 -1.378) 4.324 5.360 ( 2.650 0.000 -0.611) 2.720 5.430 ( 4.891 0.000 -2.477) 5.483 5.453 ( 0.343 0.000 2.477) 2.501 5.524 ( -0.320 0.000 -2.716) 2.735 5.586 ( 1.335 0.000 2.426) 2.769 5.627 ( 1.215 0.000 -2.158) 2.476 5.736 ( -1.454 0.000 1.679) 2.221 6.112 ( -1.469 0.000 2.978) 3.320 6.144 ( 0.157 0.000 -1.996) 2.002 6.184 ( -0.843 0.000 -1.875) 2.056 6.251 ( -6.274 0.000 7.169) 9.527 6.382 ( -2.944 0.000 0.945) 3.092 6.503 ( -0.849 0.000 -1.113) 1.400 6.658 ( -5.096 0.000 -0.820) 5.162 6.841 ( -9.123 0.000 -2.237) 9.394 9.358 ( -2.065 0.000 5.132) 5.532 9.385 ( -2.400 0.000 5.087) 5.625 10.569 ( -2.674 0.000 4.502) 5.236 10.629 ( 0.308 0.000 -4.562) 4.572 10.656 ( 0.337 0.000 -3.454) 3.470 10.665 ( -5.927 0.000 6.383) 8.711 10.993 ( -1.737 0.000 0.365) 1.775 11.018 ( -1.160 0.000 0.060) 1.162 11.334 ( -3.203 0.000 -0.052) 3.204 11.635 ( -6.222 0.000 -2.471) 6.695 12.024 ( 1.704 0.000 -3.139) 3.571 12.080 ( 2.610 0.000 -2.749) 3.790 12.514 ( 5.765 0.000 2.479) 6.276 12.605 ( 7.564 0.000 1.638) 7.739 12.793 ( 4.458 0.000 -0.452) 4.481 13.002 ( 5.076 0.000 -6.859) 8.533 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -0.259 0.000 12.632) 12.635 1.251 ( -6.937 0.000 24.077) 25.057 1.391 ( 4.607 0.000 -5.817) 7.420 1.497 ( -6.130 0.000 12.504) 13.926 1.645 ( 4.577 0.000 -0.208) 4.582 1.798 ( 2.116 0.000 2.076) 2.964 1.936 ( 5.045 0.000 5.435) 7.416 2.067 ( 4.652 0.000 4.677) 6.597 2.214 ( -1.960 0.000 4.675) 5.069 2.351 ( -1.384 0.000 0.555) 1.491 2.356 ( -6.656 0.000 7.381) 9.939 2.433 ( -4.715 0.000 1.598) 4.978 2.545 ( 6.181 0.000 14.260) 15.542 2.601 ( -8.146 0.000 2.668) 8.572 2.608 ( -1.337 0.000 0.104) 1.341 2.844 ( 2.433 0.000 -1.865) 3.065 2.858 ( -1.537 0.000 -2.651) 3.064 2.961 ( -1.267 0.000 4.996) 5.154 2.993 ( 0.778 0.000 1.580) 1.762 3.256 ( -5.634 0.000 5.289) 7.728 3.299 ( -0.309 0.000 1.912) 1.937 3.341 ( 0.730 0.000 -0.307) 0.792 3.444 ( 3.523 0.000 -1.167) 3.711 3.521 ( -3.955 0.000 2.277) 4.564 3.605 ( -2.009 0.000 0.433) 2.055 3.611 ( -2.762 0.000 0.840) 2.887 3.760 ( -2.674 0.000 -1.925) 3.295 3.912 ( 3.620 0.000 -1.916) 4.096 3.918 ( -2.520 0.000 6.351) 6.832 4.133 ( -0.879 0.000 -0.720) 1.136 4.169 ( -0.447 0.000 4.017) 4.041 4.434 ( 0.705 0.000 -5.637) 5.681 4.627 ( 1.219 0.000 2.710) 2.971 4.633 ( 1.088 0.000 -2.266) 2.514 4.730 ( 2.031 0.000 -0.647) 2.131 4.854 ( -1.550 0.000 -5.020) 5.254 4.992 ( 3.528 0.000 -3.249) 4.796 5.059 ( -3.252 0.000 -1.466) 3.567 5.157 ( 2.877 0.000 -5.858) 6.526 5.194 ( 0.871 0.000 -0.315) 0.926 5.330 ( -0.230 0.000 -2.012) 2.025 5.396 ( 1.845 0.000 -1.510) 2.384 5.467 ( -1.046 0.000 1.841) 2.118 5.468 ( 1.577 0.000 -3.141) 3.515 5.562 ( 5.205 0.000 -1.203) 5.343 5.628 ( 0.901 0.000 -1.807) 2.019 5.664 ( 3.039 0.000 2.941) 4.229 5.736 ( -0.529 0.000 2.077) 2.143 6.073 ( -3.954 0.000 2.401) 4.626 6.128 ( 0.542 0.000 -2.036) 2.107 6.143 ( -0.851 0.000 -3.395) 3.500 6.197 ( -5.377 0.000 6.329) 8.305 6.335 ( -2.849 0.000 1.694) 3.314 6.489 ( -0.008 0.000 0.231) 0.231 6.580 ( -2.925 0.000 0.840) 3.043 6.717 ( -3.428 0.000 -0.308) 3.442 9.369 ( -1.390 0.000 5.404) 5.580 9.395 ( -1.090 0.000 5.392) 5.501 10.556 ( -2.295 0.000 3.938) 4.558 10.602 ( 0.791 0.000 -4.509) 4.578 10.623 ( -3.909 0.000 5.328) 6.609 10.634 ( 0.511 0.000 -3.691) 3.726 10.971 ( -1.013 0.000 0.842) 1.317 11.006 ( -0.639 0.000 0.963) 1.156 11.298 ( -1.232 0.000 1.173) 1.701 11.544 ( -2.576 0.000 0.104) 2.578 12.025 ( 1.226 0.000 -2.939) 3.184 12.099 ( 1.602 0.000 -2.219) 2.737 12.608 ( 2.830 0.000 0.284) 2.844 12.726 ( 4.604 0.000 -1.137) 4.742 12.845 ( 1.992 0.000 -1.237) 2.345 13.023 ( 2.563 0.000 -4.183) 4.906 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -7.712 0.000 8.660) 11.596 1.210 ( -15.109 0.000 17.769) 23.324 1.425 ( 4.350 0.000 -5.667) 7.144 1.449 ( -8.638 0.000 10.755) 13.795 1.700 ( 0.802 0.000 -0.645) 1.029 1.803 ( -2.090 0.000 0.409) 2.130 1.964 ( -4.880 0.000 1.096) 5.001 2.073 ( -5.124 0.000 -0.662) 5.167 2.229 ( -0.871 0.000 0.957) 1.294 2.292 ( -7.742 0.000 -1.144) 7.827 2.330 ( -2.046 0.000 5.465) 5.836 2.360 ( -3.326 0.000 11.120) 11.607 2.573 ( -1.590 0.000 7.654) 7.818 2.603 ( 0.732 0.000 0.667) 0.990 2.693 ( -2.290 0.000 10.403) 10.652 2.853 ( 2.558 0.000 -1.629) 3.032 2.899 ( 5.975 0.000 -1.264) 6.107 2.973 ( -1.900 0.000 6.300) 6.580 3.021 ( 1.367 0.000 3.801) 4.039 3.186 ( -5.692 0.000 2.990) 6.430 3.308 ( -0.319 0.000 2.125) 2.149 3.392 ( 2.574 0.000 3.799) 4.589 3.464 ( 0.024 0.000 -2.888) 2.889 3.503 ( 0.551 0.000 2.503) 2.563 3.562 ( -2.999 0.000 -0.267) 3.011 3.583 ( 0.403 0.000 0.244) 0.472 3.719 ( 0.320 0.000 -1.540) 1.573 3.899 ( -4.745 0.000 5.135) 6.992 3.959 ( 2.077 0.000 -0.795) 2.224 4.114 ( -0.032 0.000 -1.197) 1.197 4.215 ( 0.297 0.000 6.255) 6.262 4.404 ( 1.308 0.000 -6.705) 6.831 4.629 ( 0.232 0.000 -2.462) 2.473 4.659 ( 0.758 0.000 1.735) 1.894 4.719 ( -3.266 0.000 -1.466) 3.580 4.826 ( 2.791 0.000 -4.633) 5.409 5.004 ( 0.671 0.000 -3.367) 3.433 5.013 ( 0.860 0.000 -1.960) 2.141 5.178 ( 4.530 0.000 -5.978) 7.501 5.193 ( -0.387 0.000 -1.175) 1.237 5.323 ( 1.418 0.000 -1.345) 1.954 5.395 ( -0.187 0.000 -3.380) 3.385 5.443 ( -2.455 0.000 1.870) 3.086 5.469 ( 1.741 0.000 -4.008) 4.370 5.610 ( 0.062 0.000 -1.125) 1.127 5.627 ( 0.282 0.000 -1.604) 1.629 5.678 ( -3.306 0.000 0.363) 3.326 5.737 ( -1.334 0.000 2.196) 2.570 6.059 ( 0.209 0.000 3.655) 3.661 6.122 ( 1.878 0.000 -1.967) 2.719 6.163 ( -3.611 0.000 6.046) 7.043 6.171 ( 4.291 0.000 -0.048) 4.292 6.312 ( -1.291 0.000 2.343) 2.675 6.503 ( 0.794 0.000 1.300) 1.523 6.571 ( 0.502 0.000 2.456) 2.507 6.690 ( 0.253 0.000 0.168) 0.304 9.388 ( -1.532 0.000 5.932) 6.127 9.429 ( -0.376 0.000 6.631) 6.641 10.547 ( -2.035 0.000 3.770) 4.284 10.592 ( 2.040 0.000 -4.331) 4.788 10.604 ( -2.633 0.000 5.210) 5.837 10.622 ( 1.480 0.000 -3.717) 4.001 10.970 ( -0.054 0.000 1.342) 1.343 11.008 ( -0.179 0.000 1.365) 1.377 11.307 ( 0.649 0.000 2.551) 2.633 11.544 ( 1.575 0.000 2.354) 2.832 12.027 ( 1.462 0.000 -2.532) 2.924 12.105 ( 0.998 0.000 -2.185) 2.402 12.614 ( -1.620 0.000 -1.823) 2.439 12.739 ( -1.245 0.000 -3.669) 3.874 12.849 ( -0.184 0.000 -2.168) 2.176 13.042 ( 2.615 0.000 -3.189) 4.124 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -14.063 0.000 6.274) 15.399 1.022 ( -19.309 0.000 18.061) 26.440 1.356 ( -10.590 0.000 10.854) 15.165 1.473 ( 5.576 0.000 -5.241) 7.652 1.630 ( -7.201 0.000 -3.270) 7.909 1.674 ( -14.213 0.000 -4.117) 14.798 1.771 ( -14.899 0.000 -1.911) 15.021 1.875 ( -12.910 0.000 -3.667) 13.421 2.121 ( -6.089 0.000 0.529) 6.112 2.237 ( 1.370 0.000 0.543) 1.474 2.402 ( 0.165 0.000 13.771) 13.772 2.442 ( 0.521 0.000 11.405) 11.417 2.569 ( -2.815 0.000 4.607) 5.399 2.644 ( 2.482 0.000 1.310) 2.807 2.677 ( -5.660 0.000 10.416) 11.854 2.899 ( 2.855 0.000 -0.935) 3.004 2.994 ( -4.627 0.000 3.612) 5.870 3.006 ( 0.553 0.000 4.602) 4.635 3.090 ( 3.940 0.000 6.665) 7.743 3.165 ( 5.928 0.000 -2.248) 6.340 3.321 ( 0.059 0.000 0.770) 0.772 3.412 ( -3.006 0.000 -1.592) 3.401 3.479 ( 2.909 0.000 4.737) 5.558 3.504 ( -1.953 0.000 -1.465) 2.441 3.573 ( 4.975 0.000 0.617) 5.013 3.611 ( 2.059 0.000 -1.683) 2.659 3.717 ( -2.487 0.000 -0.069) 2.488 3.851 ( -1.113 0.000 3.720) 3.883 3.969 ( -0.227 0.000 -0.443) 0.497 4.103 ( -0.385 0.000 -1.487) 1.536 4.261 ( -0.974 0.000 5.074) 5.167 4.368 ( -0.213 0.000 -5.496) 5.500 4.618 ( -5.513 0.000 2.052) 5.882 4.622 ( 1.908 0.000 -2.588) 3.215 4.703 ( 3.504 0.000 -1.395) 3.772 4.862 ( 4.354 0.000 -4.916) 6.567 4.981 ( -0.186 0.000 -2.061) 2.069 5.037 ( 2.487 0.000 -2.642) 3.628 5.166 ( -0.724 0.000 -2.415) 2.521 5.229 ( 5.193 0.000 -3.650) 6.348 5.346 ( 1.410 0.000 -1.193) 1.847 5.348 ( -1.133 0.000 -3.030) 3.235 5.420 ( -2.059 0.000 1.914) 2.811 5.463 ( 1.165 0.000 -5.045) 5.178 5.560 ( -3.472 0.000 -1.050) 3.628 5.603 ( -3.330 0.000 0.725) 3.408 5.622 ( 0.940 0.000 -1.752) 1.989 5.718 ( -2.973 0.000 2.675) 3.999 6.086 ( -0.550 0.000 0.653) 0.854 6.159 ( 2.176 0.000 -0.225) 2.188 6.170 ( -1.284 0.000 7.806) 7.911 6.233 ( 1.252 0.000 0.117) 1.258 6.335 ( 1.722 0.000 2.650) 3.160 6.537 ( 0.846 0.000 1.758) 1.951 6.634 ( 3.674 0.000 3.132) 4.828 6.734 ( 5.063 0.000 0.196) 5.067 9.403 ( -2.127 0.000 6.191) 6.547 9.486 ( 0.107 0.000 8.224) 8.225 10.543 ( -1.749 0.000 4.361) 4.699 10.607 ( 3.082 0.000 -4.184) 5.197 10.609 ( -1.758 0.000 6.186) 6.431 10.629 ( 2.401 0.000 -3.698) 4.409 10.987 ( 0.640 0.000 1.463) 1.597 11.020 ( 0.360 0.000 1.186) 1.240 11.361 ( 2.274 0.000 3.862) 4.482 11.642 ( 6.076 0.000 4.607) 7.625 12.036 ( 1.330 0.000 -2.333) 2.685 12.105 ( 0.988 0.000 -2.219) 2.429 12.527 ( -5.403 0.000 -2.827) 6.098 12.635 ( -6.004 0.000 -4.261) 7.362 12.797 ( -2.936 0.000 -4.159) 5.091 13.058 ( 2.297 0.000 -5.447) 5.911 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -16.458 0.000 7.557) 18.110 0.826 ( -19.185 0.000 23.588) 30.405 1.189 ( -29.467 0.000 -6.883) 30.260 1.222 ( -13.425 0.000 7.747) 15.500 1.426 ( -12.066 0.000 2.636) 12.350 1.438 ( -17.262 0.000 -1.002) 17.291 1.540 ( 4.546 0.000 -7.359) 8.650 1.594 ( -13.131 0.000 -0.892) 13.162 2.099 ( -0.070 0.000 0.958) 0.961 2.270 ( 0.535 0.000 2.785) 2.836 2.492 ( -3.135 0.000 14.671) 15.002 2.519 ( -1.250 0.000 9.480) 9.562 2.605 ( 3.218 0.000 3.340) 4.638 2.684 ( -0.001 0.000 6.620) 6.620 2.726 ( 2.393 0.000 5.117) 5.649 2.883 ( -7.242 0.000 2.808) 7.767 2.931 ( 1.119 0.000 -0.473) 1.215 3.052 ( 1.352 0.000 1.902) 2.333 3.152 ( -5.509 0.000 9.032) 10.579 3.272 ( -3.177 0.000 -5.035) 5.953 3.288 ( 7.462 0.000 -4.468) 8.698 3.390 ( 0.076 0.000 2.309) 2.310 3.468 ( -1.304 0.000 -0.580) 1.427 3.519 ( -2.542 0.000 1.074) 2.760 3.605 ( -0.844 0.000 -2.986) 3.102 3.674 ( 1.069 0.000 1.684) 1.995 3.698 ( 8.862 0.000 -1.780) 9.039 3.941 ( 4.985 0.000 5.402) 7.350 3.953 ( -0.566 0.000 -0.532) 0.777 4.079 ( -0.905 0.000 -1.409) 1.674 4.245 ( -2.725 0.000 1.018) 2.909 4.302 ( -3.492 0.000 -2.215) 4.135 4.554 ( -3.930 0.000 2.018) 4.418 4.663 ( 4.735 0.000 -3.677) 5.995 4.791 ( 6.469 0.000 0.132) 6.470 4.891 ( 3.462 0.000 -5.769) 6.728 4.980 ( 1.407 0.000 -1.083) 1.775 5.040 ( 0.126 0.000 -2.891) 2.894 5.135 ( -0.349 0.000 -3.068) 3.088 5.308 ( 4.365 0.000 -0.821) 4.442 5.317 ( -0.870 0.000 -0.023) 0.870 5.340 ( -1.122 0.000 -0.896) 1.436 5.390 ( -2.634 0.000 1.568) 3.065 5.416 ( -1.456 0.000 -4.741) 4.960 5.519 ( 0.077 0.000 -1.188) 1.190 5.586 ( 0.206 0.000 1.116) 1.135 5.636 ( 0.355 0.000 -0.270) 0.447 5.687 ( -0.811 0.000 3.804) 3.890 6.048 ( -2.508 0.000 -2.140) 3.297 6.179 ( -0.238 0.000 0.586) 0.632 6.236 ( -0.518 0.000 0.381) 0.643 6.248 ( 1.820 0.000 12.727) 12.857 6.389 ( 1.550 0.000 2.115) 2.622 6.534 ( -1.795 0.000 -0.067) 1.796 6.732 ( 3.926 0.000 2.290) 4.545 6.874 ( 8.957 0.000 -1.492) 9.081 9.406 ( -2.862 0.000 6.168) 6.799 9.571 ( 1.486 0.000 10.616) 10.719 10.555 ( -1.289 0.000 5.872) 6.011 10.633 ( 3.164 0.000 -4.238) 5.289 10.645 ( -0.578 0.000 9.968) 9.985 10.649 ( 2.685 0.000 -3.425) 4.352 11.014 ( 1.111 0.000 0.988) 1.486 11.038 ( 0.611 0.000 0.690) 0.922 11.445 ( 2.949 0.000 4.377) 5.278 11.834 ( 9.776 0.000 6.099) 11.523 12.028 ( -0.286 0.000 -2.758) 2.773 12.109 ( 1.468 0.000 -2.390) 2.804 12.388 ( -6.790 0.000 -2.265) 7.158 12.480 ( -6.792 0.000 -2.713) 7.314 12.671 ( -5.870 0.000 -6.877) 9.042 13.012 ( -0.558 0.000 -13.509) 13.521 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -13.378 0.000 14.800) 19.950 0.507 ( -28.349 0.000 -0.877) 28.363 0.798 ( -17.247 0.000 35.235) 39.229 0.985 ( -12.344 0.000 1.849) 12.482 1.160 ( -12.087 0.000 3.737) 12.652 1.321 ( -8.026 0.000 15.036) 17.043 1.376 ( -6.923 0.000 0.299) 6.930 1.572 ( 2.761 0.000 -7.930) 8.397 2.044 ( -4.414 0.000 -2.832) 5.245 2.309 ( 0.220 0.000 6.202) 6.205 2.543 ( -2.170 0.000 10.302) 10.528 2.570 ( -1.809 0.000 10.110) 10.271 2.690 ( 1.929 0.000 5.072) 5.426 2.725 ( 0.671 0.000 3.220) 3.289 2.801 ( -4.128 0.000 3.150) 5.193 2.820 ( 0.197 0.000 6.439) 6.442 2.924 ( -1.289 0.000 -0.448) 1.365 3.055 ( -10.552 0.000 7.412) 12.895 3.060 ( -1.254 0.000 -1.558) 2.000 3.199 ( -0.346 0.000 -0.623) 0.713 3.347 ( 3.112 0.000 -3.738) 4.864 3.356 ( -5.050 0.000 -4.094) 6.501 3.451 ( 0.459 0.000 -0.403) 0.611 3.470 ( -1.550 0.000 -2.523) 2.961 3.576 ( -0.430 0.000 2.070) 2.115 3.722 ( 1.886 0.000 0.074) 1.887 3.845 ( 7.040 0.000 -1.007) 7.111 3.964 ( 1.888 0.000 2.052) 2.788 4.030 ( -3.554 0.000 -1.716) 3.946 4.064 ( 2.773 0.000 0.676) 2.854 4.215 ( -0.969 0.000 3.325) 3.463 4.242 ( -1.782 0.000 3.890) 4.279 4.490 ( -3.829 0.000 0.289) 3.840 4.716 ( 4.679 0.000 -5.137) 6.948 4.900 ( 2.476 0.000 -6.161) 6.640 4.912 ( 5.064 0.000 -0.376) 5.078 5.009 ( 2.547 0.000 -1.327) 2.872 5.011 ( -0.041 0.000 -1.788) 1.789 5.102 ( -0.517 0.000 -3.008) 3.052 5.289 ( -2.713 0.000 -2.688) 3.819 5.298 ( -1.049 0.000 0.819) 1.331 5.346 ( -1.574 0.000 0.879) 1.803 5.360 ( -1.237 0.000 1.447) 1.903 5.375 ( 0.202 0.000 -2.056) 2.066 5.521 ( 1.146 0.000 -1.764) 2.104 5.609 ( 1.241 0.000 0.391) 1.301 5.624 ( 0.028 0.000 0.327) 0.328 5.794 ( 5.571 0.000 4.441) 7.125 5.981 ( -2.271 0.000 -2.447) 3.338 6.167 ( -1.484 0.000 0.975) 1.776 6.228 ( -0.663 0.000 0.429) 0.789 6.421 ( 0.314 0.000 1.732) 1.760 6.494 ( -1.003 0.000 -0.178) 1.018 6.518 ( 15.964 0.000 19.572) 25.257 6.800 ( 1.777 0.000 1.016) 2.047 6.958 ( 1.542 0.000 -6.181) 6.371 9.396 ( -3.468 0.000 6.286) 7.180 9.714 ( 4.084 0.000 7.553) 8.586 10.582 ( -1.673 0.000 6.570) 6.780 10.652 ( 2.571 0.000 -4.189) 4.915 10.670 ( 2.274 0.000 -3.155) 3.889 10.843 ( 13.644 0.000 22.700) 26.484 11.039 ( 0.939 0.000 -0.040) 0.940 11.051 ( 0.338 0.000 0.478) 0.585 11.516 ( 0.851 0.000 2.732) 2.862 11.983 ( -1.463 0.000 -2.857) 3.210 12.062 ( 8.273 0.000 4.536) 9.435 12.102 ( -0.993 0.000 -6.712) 6.785 12.265 ( -5.160 0.000 -0.560) 5.191 12.377 ( -2.876 0.000 0.184) 2.882 12.500 ( -4.342 0.000 -6.927) 8.175 12.712 ( -17.694 0.000 -25.745) 31.240 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 10.423 11.426 15.153) 21.652 0.699 ( -0.849 15.507 14.012) 20.917 0.839 ( 7.471 -10.504 10.527) 16.642 0.976 ( -2.104 -6.589 12.889) 14.628 1.106 ( -4.986 12.999 22.527) 26.482 1.296 ( 3.967 -1.114 5.014) 6.490 1.355 ( 2.320 0.118 6.945) 7.323 1.471 ( -4.626 -7.592 6.358) 10.930 2.104 ( 1.547 4.310 2.393) 5.167 2.256 ( -0.114 -8.563 3.427) 9.223 2.594 ( -5.129 4.140 7.693) 10.131 2.621 ( -3.521 0.873 7.033) 7.914 2.664 ( -2.537 -2.908 7.675) 8.591 2.708 ( -3.883 -2.175 3.797) 5.850 2.767 ( -2.898 -0.996 4.952) 5.823 2.808 ( -5.081 -5.431 5.325) 9.147 2.881 ( 0.507 4.201 -1.094) 4.371 2.945 ( -0.026 -1.186 0.224) 1.207 3.093 ( -0.296 4.826 0.576) 4.869 3.210 ( -1.786 -3.639 0.638) 4.104 3.336 ( 1.110 3.275 -2.338) 4.174 3.344 ( -1.354 0.969 -4.106) 4.430 3.448 ( 0.394 4.310 1.389) 4.545 3.492 ( 1.596 -0.283 1.174) 2.001 3.590 ( 2.182 0.273 1.397) 2.605 3.693 ( 0.293 -5.459 -2.188) 5.888 3.859 ( -0.814 -0.848 2.467) 2.732 3.904 ( 0.997 -4.341 2.866) 5.296 4.002 ( -2.189 2.324 -4.164) 5.247 4.043 ( -1.829 -1.349 -3.798) 4.426 4.305 ( 0.724 1.643 7.765) 7.970 4.330 ( 2.530 -0.126 7.838) 8.237 4.581 ( -0.804 11.323 -1.290) 11.425 4.792 ( 1.088 0.118 -4.399) 4.533 4.827 ( 0.088 -5.825 -2.685) 6.415 4.865 ( 2.463 -2.101 -5.786) 6.630 5.000 ( -1.365 0.066 -1.786) 2.249 5.018 ( -0.138 -1.300 -0.424) 1.374 5.142 ( 2.974 2.761 -2.377) 4.703 5.221 ( -1.863 -3.119 -1.699) 4.011 5.263 ( 0.455 0.852 -4.229) 4.338 5.291 ( -0.663 -1.172 -0.555) 1.456 5.400 ( 1.281 3.168 2.093) 4.007 5.422 ( 0.535 1.810 -0.023) 1.888 5.536 ( 0.381 0.798 -1.296) 1.569 5.570 ( -0.159 -2.429 -0.849) 2.578 5.671 ( -0.032 4.632 -0.523) 4.661 5.830 ( -4.793 -4.573 -0.590) 6.651 5.890 ( 4.524 -1.071 2.453) 5.256 5.987 ( 0.629 -9.935 7.519) 12.476 6.224 ( -0.176 2.209 0.158) 2.222 6.275 ( 0.704 -3.309 2.655) 4.301 6.599 ( -1.104 6.861 0.639) 6.979 6.733 ( -2.028 -4.825 -0.290) 5.242 6.914 ( -5.238 8.745 -5.723) 11.691 7.045 ( 3.911 -3.953 -3.085) 6.359 9.397 ( -4.412 1.782 6.468) 8.029 9.478 ( -9.107 -6.498 8.306) 13.934 10.601 ( -2.062 1.216 4.600) 5.186 10.647 ( -0.165 -2.676 0.414) 2.713 10.684 ( 0.780 1.884 -1.422) 2.485 10.754 ( -3.169 -6.425 6.359) 9.579 11.055 ( -0.610 0.231 0.152) 0.669 11.061 ( -0.688 -0.277 0.233) 0.777 11.887 ( -11.616 5.225 -6.899) 14.486 11.930 ( 1.964 -0.539 -3.246) 3.832 11.988 ( 1.437 4.514 -7.549) 8.912 12.043 ( -6.804 -0.593 -6.541) 9.456 12.329 ( -1.112 4.286 -1.622) 4.715 12.372 ( -0.575 -0.305 0.568) 0.863 12.541 ( 11.900 1.895 -0.273) 12.053 12.579 ( 16.976 -1.052 -1.293) 17.058 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 2.559 11.641 12.468) 17.248 0.993 ( 8.901 7.081 15.048) 18.863 1.066 ( 4.843 -8.033 9.143) 13.098 1.203 ( 16.327 -6.387 11.905) 21.192 1.278 ( 5.960 7.246 20.037) 22.125 1.443 ( -2.101 -6.002 8.356) 10.500 1.507 ( 8.925 2.889 11.197) 14.608 1.542 ( 10.141 -1.109 8.588) 13.335 2.142 ( 1.321 5.485 2.986) 6.383 2.314 ( 1.905 -8.522 5.828) 10.499 2.514 ( -8.729 4.885 4.928) 11.151 2.587 ( -5.933 0.531 6.687) 8.956 2.617 ( -9.504 -1.647 6.693) 11.740 2.659 ( -2.877 -4.685 3.575) 6.558 2.756 ( -1.870 -0.934 4.631) 5.081 2.787 ( -1.000 -4.014 3.856) 5.655 2.857 ( -2.507 4.536 -0.546) 5.211 2.952 ( 0.113 -1.583 -1.133) 1.950 3.107 ( -1.025 2.520 -0.276) 2.735 3.188 ( 0.070 -4.143 -1.648) 4.459 3.312 ( 0.958 1.653 -4.478) 4.869 3.330 ( 2.882 0.258 -2.375) 3.743 3.474 ( -0.325 6.200 2.189) 6.583 3.548 ( 1.129 -1.032 3.278) 3.617 3.635 ( 0.129 -1.875 0.596) 1.971 3.671 ( -0.848 -2.886 -1.761) 3.485 3.839 ( -1.742 0.992 -0.158) 2.011 3.873 ( -4.518 -0.800 -0.248) 4.595 3.945 ( -0.585 0.951 -1.554) 1.913 4.016 ( 0.142 -5.849 -0.486) 5.871 4.354 ( -1.787 5.352 6.674) 8.740 4.431 ( 1.968 -1.226 7.529) 7.878 4.576 ( 1.356 8.700 -2.433) 9.135 4.729 ( -3.032 -3.702 -4.148) 6.333 4.797 ( -1.094 1.948 -3.757) 4.372 4.868 ( 2.919 -2.093 -4.565) 5.809 4.968 ( -0.537 -1.441 -2.306) 2.771 5.024 ( 1.342 -4.203 -1.094) 4.546 5.163 ( -0.007 1.034 -0.962) 1.412 5.185 ( -0.271 -0.820 -1.711) 1.917 5.275 ( 4.075 2.098 -2.594) 5.266 5.305 ( 3.496 -1.075 -1.778) 4.067 5.410 ( -0.314 2.162 -0.911) 2.367 5.428 ( -0.592 0.797 1.143) 1.514 5.547 ( 1.471 0.676 -0.257) 1.639 5.575 ( 1.622 -1.855 -0.596) 2.535 5.655 ( -0.013 3.977 -1.995) 4.449 5.761 ( -2.686 -3.246 0.349) 4.228 5.975 ( 1.950 -0.869 2.658) 3.410 6.054 ( 0.992 -7.321 3.001) 7.974 6.232 ( 0.612 3.648 0.750) 3.774 6.307 ( 0.034 -3.476 2.574) 4.325 6.559 ( -4.073 7.269 0.274) 8.337 6.642 ( -6.336 2.973 -1.069) 7.081 6.762 ( -5.803 4.699 -1.717) 7.662 6.948 ( -8.787 -8.337 -3.714) 12.669 9.372 ( -3.338 0.769 5.529) 6.504 9.397 ( -5.195 -1.497 6.250) 8.264 10.591 ( -2.619 1.133 4.150) 5.036 10.634 ( -1.760 -2.579 1.262) 3.368 10.677 ( 0.069 1.569 -2.185) 2.691 10.717 ( -3.649 -2.152 2.559) 4.949 11.030 ( -1.669 0.578 -0.067) 1.768 11.042 ( -1.428 -0.379 -0.200) 1.491 11.588 ( -10.198 10.635 -4.641) 15.448 11.758 ( -9.912 -4.945 -5.449) 12.345 12.016 ( 3.394 1.021 -3.263) 4.817 12.035 ( 4.133 -0.653 -3.771) 5.633 12.396 ( 5.385 1.771 3.322) 6.571 12.436 ( 5.219 -1.598 2.931) 6.195 12.729 ( 8.745 4.072 -0.879) 9.687 12.840 ( 11.844 -5.363 -5.842) 14.254 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 3.792 7.744 10.491) 13.580 1.138 ( 2.603 -7.371 6.508) 10.171 1.265 ( 0.493 6.967 20.676) 21.824 1.469 ( -3.659 -6.861 16.269) 18.031 1.543 ( 9.222 1.434 3.569) 9.992 1.569 ( 12.491 -1.732 4.130) 13.269 1.768 ( 9.776 2.037 7.162) 12.289 1.818 ( 10.862 -2.071 8.336) 13.848 2.262 ( 3.986 4.961 6.532) 9.120 2.353 ( -1.811 -0.500 2.653) 3.251 2.404 ( -5.537 3.832 7.668) 10.205 2.495 ( -8.510 -2.834 9.498) 13.064 2.516 ( -6.396 3.083 3.647) 7.982 2.632 ( -2.652 -5.988 3.058) 7.228 2.762 ( -1.628 1.486 -1.076) 2.453 2.773 ( -0.743 1.255 2.412) 2.819 2.866 ( 2.008 -1.968 3.622) 4.586 2.928 ( -0.657 -2.035 -1.433) 2.574 3.042 ( -3.912 3.973 -0.319) 5.585 3.164 ( -3.120 -7.209 0.308) 7.862 3.312 ( 1.602 1.548 -2.690) 3.493 3.371 ( 1.468 -0.285 -0.557) 1.596 3.472 ( -1.227 5.263 2.237) 5.848 3.563 ( -1.124 -1.928 0.466) 2.280 3.589 ( -3.833 -2.219 0.632) 4.474 3.612 ( -4.442 -2.131 -0.178) 4.930 3.823 ( -0.048 1.084 0.123) 1.092 3.846 ( 2.149 -0.930 -1.020) 2.554 3.923 ( -1.323 1.300 0.612) 1.953 4.012 ( -0.835 -7.013 0.478) 7.079 4.358 ( -1.836 10.176 3.907) 11.054 4.518 ( 0.659 -3.079 5.661) 6.477 4.571 ( 0.935 5.296 -3.305) 6.313 4.663 ( 0.058 -2.446 -3.113) 3.959 4.750 ( -0.654 5.370 -3.049) 6.210 4.881 ( 0.188 -4.972 -3.300) 5.970 4.947 ( 1.579 1.122 -3.028) 3.594 5.030 ( 0.505 -5.374 -2.264) 5.853 5.148 ( -0.711 -0.295 -1.061) 1.311 5.160 ( -0.396 -0.721 -2.697) 2.820 5.355 ( 3.844 1.583 -1.973) 4.602 5.375 ( 4.745 0.139 -0.119) 4.749 5.401 ( -0.359 0.572 -0.595) 0.900 5.431 ( 2.433 -0.643 -0.260) 2.530 5.584 ( 2.556 1.866 0.392) 3.189 5.612 ( 2.489 0.100 -0.807) 2.619 5.644 ( 0.640 3.080 -2.042) 3.751 5.737 ( -0.193 -2.441 0.799) 2.575 5.999 ( -0.922 -0.880 1.700) 2.125 6.073 ( -0.413 -5.302 1.261) 5.466 6.236 ( -1.424 3.064 0.402) 3.403 6.300 ( -2.914 -1.107 1.322) 3.386 6.464 ( -5.334 6.564 1.482) 8.587 6.534 ( -5.171 1.715 -0.804) 5.507 6.665 ( -3.798 1.112 -0.799) 4.037 6.759 ( -7.632 -6.305 -1.207) 9.972 9.364 ( -2.039 0.521 5.012) 5.436 9.377 ( -2.198 -0.588 4.980) 5.475 10.575 ( -2.405 0.871 3.559) 4.382 10.609 ( -2.258 -2.094 2.112) 3.734 10.653 ( -0.426 1.201 -2.751) 3.032 10.674 ( -1.951 -0.403 -0.313) 2.017 11.000 ( -1.615 0.584 0.263) 1.737 11.013 ( -1.358 -0.498 0.099) 1.450 11.430 ( -5.105 7.293 -1.170) 8.979 11.577 ( -6.255 -5.193 -2.262) 8.439 12.039 ( 1.932 1.244 -3.092) 3.852 12.067 ( 2.396 -1.108 -2.890) 3.914 12.531 ( 5.902 1.532 2.334) 6.529 12.575 ( 6.635 -2.202 1.947) 7.257 12.845 ( 5.159 4.189 -1.758) 6.874 12.947 ( 5.341 -4.455 -4.855) 8.482 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.711 5.129 7.677) 9.260 1.220 ( 1.514 -7.704 3.615) 8.644 1.376 ( -5.924 6.146 18.252) 20.149 1.502 ( -5.594 -3.232 13.327) 14.810 1.676 ( 5.038 2.706 0.136) 5.720 1.747 ( 4.580 -3.389 1.485) 5.888 1.954 ( 4.197 1.859 4.617) 6.511 2.019 ( 3.806 -3.553 4.536) 6.906 2.253 ( -2.302 3.417 3.973) 5.724 2.327 ( -2.188 -2.512 2.311) 4.054 2.374 ( -7.122 1.017 5.608) 9.121 2.400 ( -7.639 -1.823 2.635) 8.284 2.594 ( 5.106 3.382 10.650) 12.285 2.623 ( -2.091 2.070 4.934) 5.745 2.710 ( -1.801 5.525 -1.416) 5.981 2.803 ( 2.639 -2.129 -1.278) 3.623 2.905 ( 0.588 2.337 1.797) 3.006 2.955 ( 1.270 -1.695 3.542) 4.127 2.996 ( -1.100 1.573 1.606) 2.502 3.096 ( -4.842 -7.626 3.306) 9.620 3.310 ( 0.556 -0.132 -1.359) 1.474 3.380 ( -0.592 -3.066 2.294) 3.875 3.471 ( -1.013 3.681 1.749) 4.200 3.501 ( -3.117 0.429 -1.340) 3.420 3.537 ( -3.960 -2.265 1.459) 4.789 3.561 ( -2.011 -3.504 2.494) 4.748 3.823 ( -0.318 4.093 -0.365) 4.121 3.892 ( 3.185 -1.587 -0.966) 3.687 3.913 ( -1.368 0.072 1.947) 2.381 3.995 ( -0.848 -6.735 0.110) 6.789 4.361 ( -0.683 11.389 3.076) 11.817 4.506 ( -0.274 2.440 -3.324) 4.133 4.612 ( 1.636 -1.382 2.694) 3.441 4.667 ( 1.685 -3.820 -2.195) 4.717 4.724 ( 0.378 5.776 -2.729) 6.399 4.828 ( -1.171 -2.971 -4.032) 5.144 4.965 ( 1.342 -0.719 -2.252) 2.718 5.020 ( 0.910 -5.791 -2.039) 6.206 5.102 ( -1.394 1.695 -2.818) 3.572 5.156 ( 1.485 -2.865 -2.558) 4.117 5.353 ( -0.360 1.343 -2.536) 2.892 5.386 ( 0.056 -1.868 -1.755) 2.563 5.466 ( 2.611 2.630 0.141) 3.708 5.491 ( 3.638 0.023 -0.317) 3.652 5.626 ( 1.165 0.771 -1.891) 2.351 5.641 ( 1.352 -1.015 -1.098) 2.016 5.665 ( 2.610 5.034 -0.196) 5.674 5.770 ( 2.152 -1.839 1.598) 3.251 5.982 ( -2.050 0.460 2.360) 3.160 6.073 ( -0.368 -4.377 1.340) 4.592 6.190 ( -2.356 2.499 -0.592) 3.485 6.232 ( -3.816 0.588 0.838) 3.951 6.405 ( -3.471 2.665 2.353) 4.969 6.441 ( -3.881 -1.524 0.740) 4.235 6.616 ( -1.358 1.953 0.396) 2.411 6.670 ( -2.189 -3.248 0.081) 3.918 9.375 ( -1.330 0.523 5.359) 5.547 9.388 ( -1.181 -0.589 5.350) 5.510 10.560 ( -1.957 0.668 2.986) 3.633 10.587 ( -1.925 -1.595 2.125) 3.281 10.625 ( -0.079 1.078 -2.612) 2.827 10.642 ( -0.680 -0.196 -1.606) 1.754 10.980 ( -0.907 0.768 0.824) 1.446 10.998 ( -0.720 -0.721 0.887) 1.351 11.367 ( -1.861 5.562 0.854) 5.927 11.490 ( -2.480 -4.743 0.301) 5.361 12.045 ( 1.349 1.645 -2.750) 3.477 12.082 ( 1.540 -1.473 -2.393) 3.204 12.627 ( 2.986 1.741 0.065) 3.457 12.680 ( 3.612 -2.946 -0.536) 4.692 12.901 ( 2.701 3.918 -2.096) 5.200 12.984 ( 2.730 -3.303 -3.452) 5.502 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -5.604 5.194 5.146) 9.212 1.239 ( -2.290 -8.708 2.855) 9.446 1.331 ( -11.946 7.230 13.227) 19.234 1.471 ( -7.162 -3.550 8.566) 11.717 1.739 ( 1.133 2.645 0.175) 2.883 1.785 ( -0.981 -1.394 0.772) 1.872 1.976 ( -4.533 1.392 1.175) 4.885 2.031 ( -4.771 -3.185 0.669) 5.776 2.238 ( -2.009 0.800 -0.751) 2.289 2.264 ( -5.368 -1.632 -1.000) 5.699 2.336 ( -1.870 0.696 6.708) 6.999 2.352 ( -2.105 -0.626 10.430) 10.658 2.613 ( -3.682 4.606 4.549) 7.447 2.690 ( -3.286 -1.271 7.927) 8.675 2.703 ( 1.707 6.085 1.339) 6.460 2.835 ( 0.758 -4.314 -0.726) 4.440 2.944 ( 1.561 2.978 3.458) 4.823 3.005 ( 0.715 3.266 3.898) 5.135 3.020 ( 1.931 1.648 3.493) 4.318 3.061 ( -1.930 -7.359 4.177) 8.679 3.327 ( 1.559 -0.115 0.044) 1.564 3.383 ( -1.643 -4.895 2.744) 5.848 3.459 ( 0.837 -1.127 -0.225) 1.422 3.473 ( -0.424 3.275 1.245) 3.529 3.494 ( -1.418 -3.332 0.464) 3.651 3.539 ( -1.732 -2.100 1.329) 3.029 3.810 ( -0.140 5.441 -1.002) 5.535 3.882 ( -3.445 -1.024 1.928) 4.079 3.932 ( 1.607 -1.467 -1.102) 2.439 3.997 ( 0.819 -6.552 0.215) 6.607 4.377 ( -0.964 9.988 3.507) 10.629 4.478 ( -0.408 2.960 -3.798) 4.833 4.635 ( -0.138 -0.015 0.501) 0.520 4.672 ( 0.873 -3.146 -2.383) 4.042 4.730 ( 1.320 4.448 -0.434) 4.659 4.802 ( 1.983 -2.103 -3.796) 4.772 4.963 ( 1.054 -0.938 -1.790) 2.279 5.020 ( 0.341 -5.592 -2.485) 6.128 5.089 ( 2.324 1.655 -1.772) 3.359 5.157 ( 0.913 -3.145 -3.120) 4.523 5.331 ( 0.766 0.748 -3.337) 3.505 5.361 ( -0.626 -2.129 -2.829) 3.596 5.480 ( -0.065 3.669 -1.141) 3.842 5.541 ( 1.099 -0.311 0.655) 1.317 5.620 ( 0.269 0.945 -2.576) 2.757 5.633 ( -0.564 -0.905 -1.963) 2.234 5.663 ( -2.355 4.327 -2.079) 5.347 5.781 ( -2.027 -2.834 -0.413) 3.509 5.990 ( 0.070 1.590 3.874) 4.188 6.081 ( -0.848 -4.210 2.698) 5.071 6.189 ( 2.308 3.893 1.416) 4.742 6.239 ( 3.034 1.629 3.207) 4.706 6.367 ( -2.174 2.056 1.916) 3.553 6.417 ( 0.237 -4.283 2.057) 4.757 6.615 ( 0.356 1.963 1.269) 2.364 6.656 ( 0.118 -2.257 0.447) 2.304 9.396 ( -1.319 0.762 6.030) 6.219 9.417 ( -0.755 -0.970 6.367) 6.484 10.551 ( -1.585 0.599 2.944) 3.397 10.574 ( -1.294 -1.366 2.168) 2.871 10.614 ( 1.149 0.924 -2.386) 2.805 10.627 ( 0.728 -0.086 -1.972) 2.104 10.980 ( -0.034 0.848 1.339) 1.585 11.000 ( -0.084 -0.760 1.359) 1.559 11.372 ( 0.946 5.265 2.556) 5.928 11.490 ( 1.414 -4.636 2.426) 5.420 12.049 ( 1.370 1.747 -2.401) 3.270 12.088 ( 1.134 -1.502 -2.238) 2.924 12.632 ( -1.580 1.745 -2.112) 3.162 12.687 ( -1.422 -3.148 -2.853) 4.480 12.912 ( 0.505 4.278 -2.729) 5.099 13.001 ( 1.873 -3.464 -3.051) 4.982 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -10.662 8.091 4.994) 14.286 1.179 ( -14.676 10.699 12.803) 22.220 1.190 ( -6.079 -11.907 4.897) 14.238 1.380 ( -8.068 -6.899 3.908) 11.312 1.689 ( -11.277 1.735 -1.739) 11.542 1.695 ( -6.830 1.855 -2.611) 7.544 1.797 ( -12.650 1.598 -2.150) 12.931 1.840 ( -12.998 -2.473 -2.947) 13.555 2.161 ( -3.686 2.838 -0.622) 4.694 2.213 ( -0.701 -1.858 -0.689) 2.102 2.412 ( 0.795 1.292 12.857) 12.947 2.437 ( 0.615 -0.754 11.941) 11.981 2.570 ( -2.393 1.969 3.182) 4.442 2.637 ( -5.990 -3.065 6.327) 9.236 2.758 ( 0.926 5.863 3.887) 7.095 2.851 ( 0.607 -3.555 2.654) 4.478 2.971 ( -6.109 -0.037 5.200) 8.023 2.997 ( -0.350 -0.655 4.489) 4.550 3.104 ( 2.500 -1.043 3.317) 4.283 3.128 ( 4.603 -1.977 -0.373) 5.024 3.346 ( 1.076 2.149 -1.813) 3.010 3.385 ( 0.169 -0.075 3.103) 3.109 3.468 ( 0.202 -1.987 -2.000) 2.826 3.500 ( 1.275 1.642 3.297) 3.898 3.519 ( 4.806 -5.368 -1.994) 7.476 3.551 ( 2.019 -2.222 2.143) 3.688 3.779 ( -2.831 4.292 -1.825) 5.456 3.857 ( -0.069 -1.314 1.138) 1.739 3.947 ( 1.234 0.074 0.414) 1.304 4.018 ( 1.223 -5.235 0.199) 5.380 4.354 ( -4.084 5.518 1.549) 7.038 4.408 ( -4.030 0.833 -3.265) 5.253 4.653 ( 2.627 2.455 -0.926) 3.713 4.670 ( 0.509 2.073 -0.368) 2.166 4.745 ( 0.910 4.276 -0.611) 4.415 4.838 ( 3.715 -2.482 -3.274) 5.539 4.985 ( 2.056 -0.070 -0.618) 2.148 5.007 ( 1.141 -2.108 -2.626) 3.555 5.127 ( 0.759 -2.041 -1.218) 2.495 5.157 ( 3.391 -3.588 -2.489) 5.529 5.322 ( 0.686 -0.007 -3.195) 3.267 5.340 ( 1.093 -1.481 -2.226) 2.889 5.448 ( -2.228 3.472 -1.309) 4.328 5.523 ( -3.542 -2.953 -1.067) 4.734 5.575 ( -1.248 6.536 -2.391) 7.071 5.608 ( -0.237 0.988 -1.626) 1.918 5.621 ( 0.390 -0.153 -2.198) 2.237 5.729 ( -2.967 -3.706 0.418) 4.766 6.017 ( -0.611 0.263 2.762) 2.841 6.083 ( -1.388 -3.822 3.184) 5.165 6.239 ( 0.353 4.183 1.579) 4.485 6.313 ( -0.916 -0.578 2.420) 2.652 6.385 ( 4.758 6.089 2.726) 8.195 6.503 ( 5.726 -3.027 3.423) 7.326 6.647 ( 2.052 0.711 1.625) 2.712 6.683 ( 2.788 -3.199 0.617) 4.288 9.418 ( -1.814 1.386 6.494) 6.884 9.458 ( -0.800 -2.042 7.460) 7.775 10.550 ( -1.296 0.731 3.696) 3.984 10.575 ( -0.687 -1.503 2.803) 3.254 10.627 ( 2.242 0.762 -2.558) 3.486 10.637 ( 1.810 0.081 -1.702) 2.486 10.997 ( 0.639 0.819 1.438) 1.775 11.015 ( 0.522 -0.588 1.305) 1.523 11.443 ( 3.967 6.548 4.206) 8.735 11.583 ( 5.688 -5.198 4.472) 8.910 12.056 ( 1.320 1.629 -2.173) 3.020 12.091 ( 1.130 -1.256 -2.144) 2.730 12.543 ( -5.445 1.510 -3.138) 6.463 12.591 ( -5.647 -2.782 -3.815) 7.361 12.870 ( -2.178 5.494 -4.478) 7.415 12.995 ( 0.484 -5.183 -5.061) 7.260 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -11.257 13.007 7.415) 18.732 1.000 ( -15.624 10.238 9.624) 21.013 1.111 ( -10.112 -11.961 11.260) 19.290 1.186 ( -14.516 -7.153 -3.785) 16.620 1.310 ( -23.059 7.074 -1.177) 24.149 1.450 ( -12.799 -1.582 -2.554) 13.147 1.564 ( -12.416 -0.377 -2.993) 12.777 1.609 ( -9.405 -1.720 2.425) 9.863 2.124 ( -1.530 2.414 1.303) 3.141 2.202 ( -0.644 -4.449 1.965) 4.906 2.498 ( -1.551 0.814 10.833) 10.973 2.540 ( 1.174 -1.946 8.832) 9.120 2.585 ( -0.810 3.228 5.879) 6.756 2.666 ( 1.782 -1.683 8.258) 8.614 2.793 ( -1.415 2.310 7.121) 7.618 2.859 ( -4.957 -4.797 4.294) 8.125 2.909 ( -1.267 4.046 2.110) 4.736 3.018 ( -1.111 -2.739 2.708) 4.009 3.127 ( -1.271 -1.275 -1.120) 2.120 3.172 ( 2.910 -4.449 -1.427) 5.505 3.354 ( 0.608 3.221 -1.153) 3.475 3.411 ( -0.641 -0.723 1.705) 1.960 3.473 ( 1.563 2.602 -1.570) 3.418 3.543 ( -0.574 1.039 2.032) 2.353 3.572 ( 1.742 -1.896 -1.955) 3.233 3.633 ( 4.194 -4.196 0.740) 5.979 3.736 ( 2.017 4.328 -1.503) 5.006 3.852 ( -0.120 -5.471 -1.056) 5.573 4.008 ( 3.260 2.244 2.587) 4.728 4.049 ( 2.053 -1.852 0.363) 2.789 4.272 ( -4.542 1.858 0.524) 4.935 4.300 ( -5.008 -0.552 -1.162) 5.170 4.671 ( -1.656 8.190 1.255) 8.449 4.708 ( 4.397 2.939 -2.751) 5.962 4.770 ( 3.428 -0.893 -1.623) 3.897 4.862 ( 1.952 -4.080 -3.163) 5.519 5.003 ( 0.971 0.736 -1.162) 1.684 5.034 ( 1.688 -0.780 -0.384) 1.898 5.116 ( 1.234 1.680 -3.371) 3.964 5.218 ( 3.709 -5.421 -1.621) 6.766 5.317 ( 0.139 0.432 0.055) 0.457 5.344 ( 0.282 -2.007 -1.553) 2.554 5.398 ( -1.536 2.784 -0.924) 3.311 5.439 ( -3.627 -0.453 -1.141) 3.829 5.552 ( -0.062 3.780 -1.694) 4.143 5.603 ( 0.912 1.578 -1.392) 2.294 5.624 ( 0.567 -1.089 -0.654) 1.391 5.689 ( -1.142 -3.065 1.774) 3.721 5.997 ( -3.214 0.181 0.896) 3.342 6.072 ( -2.971 -5.163 2.965) 6.654 6.238 ( -0.746 1.726 0.729) 2.017 6.283 ( -2.548 -2.317 0.592) 3.494 6.534 ( 6.366 9.863 4.759) 12.667 6.602 ( 3.129 3.395 2.226) 5.125 6.718 ( 3.583 -0.530 1.573) 3.949 6.800 ( 9.199 -6.054 0.546) 11.026 9.430 ( -2.698 2.241 6.729) 7.588 9.504 ( -1.300 -4.393 8.782) 9.905 10.564 ( -0.866 0.850 4.883) 5.031 10.594 ( -0.148 -1.914 3.872) 4.322 10.650 ( 2.404 0.874 -2.676) 3.702 10.665 ( 2.020 -0.174 -0.050) 2.028 11.024 ( 1.021 0.699 1.081) 1.643 11.037 ( 0.858 -0.345 0.879) 1.276 11.587 ( 7.630 9.769 4.939) 13.343 11.765 ( 9.291 -6.002 5.237) 12.238 12.058 ( 0.640 2.097 -1.980) 2.955 12.097 ( 1.312 -1.212 -1.979) 2.666 12.404 ( -6.319 1.402 -2.462) 6.925 12.446 ( -6.240 -2.269 -2.781) 7.199 12.751 ( -5.665 6.539 -7.625) 11.532 12.915 ( -3.336 -7.493 -10.731) 13.507 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -19.880 11.246 0.079) 22.841 0.695 ( -9.763 15.154 10.961) 21.098 0.865 ( -14.611 -9.555 1.189) 17.498 0.997 ( -11.892 -2.409 13.488) 18.143 1.080 ( -9.470 7.423 17.617) 21.334 1.280 ( -4.053 -1.695 -0.501) 4.422 1.363 ( -7.134 0.462 1.789) 7.370 1.512 ( -5.243 -8.304 5.293) 11.157 2.096 ( -2.080 4.779 0.967) 5.301 2.226 ( 0.362 -6.428 3.754) 7.452 2.569 ( 0.747 0.587 8.193) 8.248 2.611 ( -1.573 2.157 6.620) 7.137 2.615 ( -1.033 -0.510 9.261) 9.332 2.728 ( -1.520 -1.419 5.074) 5.484 2.788 ( -4.219 -1.369 3.858) 5.879 2.833 ( -2.669 -3.944 8.949) 10.138 2.905 ( -1.547 3.336 0.335) 3.692 2.979 ( -3.261 -3.539 -0.411) 4.829 3.105 ( -0.434 4.387 -0.340) 4.421 3.222 ( 2.408 -4.265 0.316) 4.908 3.328 ( -2.351 4.121 -0.559) 4.777 3.398 ( -0.291 0.042 -1.849) 1.872 3.462 ( -2.118 2.747 -0.350) 3.487 3.506 ( -1.735 0.453 -1.902) 2.614 3.564 ( -0.255 1.621 -0.166) 1.649 3.686 ( 2.142 -5.357 -1.308) 5.916 3.817 ( 4.139 -0.902 1.101) 4.377 3.860 ( 0.919 -5.019 1.197) 5.241 4.044 ( 0.315 2.896 -1.847) 3.449 4.096 ( 1.331 -1.136 -2.819) 3.318 4.237 ( -0.526 1.115 5.832) 5.961 4.246 ( -1.217 0.134 4.757) 4.912 4.626 ( -3.025 10.729 -0.153) 11.148 4.765 ( 4.593 3.445 -4.345) 7.200 4.829 ( 3.298 -5.176 -1.872) 6.417 4.862 ( 0.982 -5.990 -3.581) 7.047 5.016 ( 1.174 0.952 -0.841) 1.730 5.034 ( -0.901 -0.440 -0.677) 1.210 5.121 ( 2.318 4.710 -4.468) 6.893 5.249 ( 1.045 -5.294 -2.021) 5.763 5.310 ( -1.635 0.118 -1.892) 2.503 5.315 ( -1.296 0.320 -0.179) 1.347 5.382 ( -1.644 1.785 0.766) 2.545 5.399 ( 1.225 0.588 0.447) 1.430 5.543 ( 0.339 2.004 -1.502) 2.527 5.589 ( -1.456 -1.860 -0.258) 2.376 5.645 ( 2.121 3.277 0.744) 3.974 5.759 ( 5.596 -4.497 3.451) 7.965 5.927 ( -3.929 -0.914 -0.611) 4.080 6.003 ( -6.909 -8.242 4.152) 11.528 6.232 ( -0.653 0.475 0.274) 0.852 6.254 ( -0.708 -2.155 1.495) 2.717 6.599 ( 0.230 6.825 1.273) 6.947 6.725 ( 2.741 -3.752 2.225) 5.152 6.852 ( 12.131 8.375 1.991) 14.875 6.951 ( 5.953 -1.567 -2.785) 6.757 9.423 ( -3.933 2.685 6.898) 8.382 9.536 ( -3.967 -8.568 9.411) 13.331 10.590 ( -0.972 0.922 5.149) 5.321 10.629 ( 0.684 -2.729 2.823) 3.985 10.672 ( 1.801 1.443 -1.857) 2.962 10.715 ( 1.236 -3.097 5.124) 6.113 11.048 ( 0.773 0.447 0.605) 1.079 11.057 ( 0.643 -0.250 0.581) 0.902 11.792 ( 10.716 10.399 1.311) 14.990 11.930 ( 3.354 -4.162 -0.720) 5.394 12.079 ( 2.722 1.936 0.083) 3.341 12.113 ( 1.829 -0.551 -1.007) 2.160 12.322 ( 0.854 3.150 -0.332) 3.281 12.367 ( 0.258 -1.176 0.630) 1.359 12.547 ( -7.723 4.499 -10.233) 13.587 12.655 ( -12.733 -4.516 -17.115) 21.805 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 11.669 0.000 20.089) 23.232 0.906 ( -1.586 0.000 22.670) 22.725 1.187 ( 8.096 0.000 11.227) 13.842 1.245 ( -3.995 0.000 7.601) 8.587 1.520 ( 5.862 0.000 10.329) 11.877 1.562 ( 0.651 0.000 9.671) 9.693 1.618 ( -7.213 0.000 28.891) 29.778 1.771 ( -4.322 0.000 25.701) 26.062 2.097 ( -1.126 0.000 2.960) 3.167 2.397 ( 1.949 0.000 -2.065) 2.840 2.653 ( -1.013 0.000 0.847) 1.321 2.718 ( -7.400 0.000 3.426) 8.155 2.748 ( -2.331 0.000 -2.334) 3.299 2.790 ( 0.204 0.000 1.470) 1.484 2.838 ( -5.532 0.000 -1.018) 5.625 2.970 ( -6.749 0.000 2.140) 7.081 3.081 ( -2.642 0.000 7.719) 8.158 3.092 ( 0.400 0.000 6.556) 6.568 3.102 ( -4.839 0.000 15.543) 16.278 3.247 ( -7.042 0.000 9.204) 11.589 3.265 ( -1.606 0.000 -5.426) 5.659 3.375 ( -4.382 0.000 6.288) 7.664 3.398 ( 1.319 0.000 4.694) 4.876 3.491 ( 6.860 0.000 2.343) 7.249 3.696 ( 1.260 0.000 2.688) 2.969 3.715 ( -0.983 0.000 -0.936) 1.357 3.895 ( 2.719 0.000 -1.799) 3.260 3.897 ( -6.691 0.000 0.818) 6.741 3.997 ( -4.814 0.000 2.461) 5.407 4.127 ( 2.135 0.000 2.954) 3.645 4.367 ( -1.987 0.000 -0.212) 1.998 4.450 ( 0.477 0.000 7.511) 7.526 4.479 ( 1.294 0.000 4.675) 4.851 4.642 ( 3.867 0.000 -6.637) 7.681 4.719 ( 3.008 0.000 -7.807) 8.366 4.829 ( -2.940 0.000 -4.963) 5.768 4.990 ( 3.433 0.000 -3.583) 4.962 4.990 ( 1.269 0.000 -2.300) 2.627 5.078 ( 2.444 0.000 -2.732) 3.666 5.119 ( 2.932 0.000 -3.511) 4.574 5.235 ( -6.081 0.000 -2.707) 6.656 5.304 ( 0.861 0.000 -3.971) 4.063 5.312 ( -0.022 0.000 -0.858) 0.858 5.417 ( 1.887 0.000 1.953) 2.716 5.496 ( 2.394 0.000 -2.830) 3.707 5.591 ( -1.187 0.000 -2.500) 2.767 5.632 ( -1.188 0.000 1.413) 1.846 5.833 ( -3.397 0.000 -1.985) 3.934 6.005 ( 6.266 0.000 2.858) 6.886 6.132 ( -0.471 0.000 -2.270) 2.319 6.234 ( -2.056 0.000 1.125) 2.344 6.465 ( -1.449 0.000 1.658) 2.202 6.486 ( 1.928 0.000 -1.793) 2.633 6.547 ( -4.255 0.000 -5.068) 6.617 6.792 ( -1.664 0.000 -1.579) 2.294 6.999 ( 2.509 0.000 -4.868) 5.477 9.552 ( -5.482 0.000 9.691) 11.135 9.724 ( -10.298 0.000 5.953) 11.895 10.539 ( 3.056 0.000 -7.240) 7.859 10.579 ( 2.616 0.000 -6.253) 6.778 10.743 ( -4.325 0.000 7.538) 8.691 11.036 ( -0.495 0.000 0.278) 0.567 11.062 ( -0.696 0.000 0.204) 0.725 11.069 ( -10.970 0.000 -0.177) 10.972 11.507 ( -4.728 0.000 0.858) 4.805 11.853 ( 5.365 0.000 -3.500) 6.406 11.905 ( -9.113 0.000 -6.532) 11.213 11.909 ( 3.373 0.000 -3.791) 5.075 12.336 ( 3.872 0.000 4.474) 5.917 12.424 ( 1.729 0.000 2.890) 3.367 12.541 ( 8.062 0.000 0.885) 8.111 12.579 ( 10.791 0.000 -0.115) 10.791 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.249 0.000 22.145) 22.146 1.262 ( 11.803 0.000 14.916) 19.021 1.264 ( 0.120 0.000 6.135) 6.137 1.473 ( 11.834 0.000 8.849) 14.777 1.721 ( 6.092 0.000 12.315) 13.739 1.725 ( -4.833 0.000 24.853) 25.319 1.756 ( 9.550 0.000 11.235) 14.745 1.867 ( -6.486 0.000 18.659) 19.754 2.181 ( 6.666 0.000 10.631) 12.548 2.380 ( -1.486 0.000 -4.266) 4.517 2.581 ( -8.503 0.000 -0.185) 8.505 2.620 ( -4.189 0.000 0.213) 4.194 2.708 ( -1.655 0.000 -3.170) 3.576 2.733 ( -2.992 0.000 -0.205) 2.999 2.784 ( -1.015 0.000 -0.958) 1.395 2.847 ( -6.215 0.000 0.793) 6.266 3.015 ( -7.386 0.000 11.407) 13.589 3.139 ( -5.646 0.000 12.067) 13.323 3.149 ( -9.614 0.000 8.080) 12.558 3.227 ( 1.537 0.000 -2.367) 2.822 3.244 ( 6.925 0.000 1.601) 7.108 3.362 ( -2.804 0.000 8.281) 8.743 3.456 ( -0.151 0.000 6.847) 6.849 3.594 ( 1.133 0.000 0.580) 1.273 3.679 ( -2.448 0.000 0.508) 2.501 3.749 ( 3.327 0.000 -2.770) 4.329 3.806 ( -4.618 0.000 7.211) 8.562 3.884 ( -2.945 0.000 -0.302) 2.960 3.970 ( -0.202 0.000 4.107) 4.112 4.162 ( -0.116 0.000 1.632) 1.636 4.309 ( -3.281 0.000 -0.340) 3.299 4.473 ( -3.409 0.000 2.890) 4.469 4.561 ( 3.033 0.000 5.267) 6.078 4.614 ( -0.502 0.000 -6.286) 6.306 4.699 ( -3.984 0.000 -6.033) 7.230 4.757 ( 6.672 0.000 -6.361) 9.219 4.955 ( -2.890 0.000 -3.195) 4.308 5.046 ( 4.125 0.000 -2.361) 4.753 5.110 ( 4.012 0.000 -4.327) 5.901 5.117 ( -3.086 0.000 -4.570) 5.514 5.201 ( 5.722 0.000 -0.048) 5.723 5.306 ( 1.011 0.000 -2.147) 2.373 5.316 ( 3.822 0.000 -1.741) 4.199 5.463 ( 1.620 0.000 1.093) 1.954 5.493 ( -0.149 0.000 -4.214) 4.217 5.574 ( 1.091 0.000 -1.821) 2.123 5.614 ( -1.420 0.000 1.926) 2.393 5.765 ( -1.879 0.000 -1.783) 2.591 6.109 ( 0.056 0.000 -2.964) 2.965 6.123 ( 3.421 0.000 2.116) 4.022 6.197 ( -2.344 0.000 -0.430) 2.383 6.437 ( -4.993 0.000 0.995) 5.092 6.441 ( -2.239 0.000 1.037) 2.467 6.497 ( 0.291 0.000 -0.777) 0.829 6.727 ( -3.700 0.000 -1.676) 4.062 6.924 ( -4.765 0.000 -5.941) 7.616 9.529 ( -5.110 0.000 9.522) 10.806 9.597 ( -8.885 0.000 9.261) 12.834 10.527 ( 2.041 0.000 -7.427) 7.702 10.570 ( 1.845 0.000 -6.414) 6.674 10.717 ( -4.593 0.000 6.937) 8.320 10.894 ( -9.070 0.000 4.983) 10.348 11.026 ( -1.023 0.000 0.696) 1.237 11.044 ( -1.209 0.000 0.376) 1.266 11.423 ( -4.975 0.000 1.697) 5.257 11.717 ( -6.674 0.000 -3.518) 7.545 11.915 ( 4.053 0.000 -4.917) 6.372 11.961 ( 5.026 0.000 -3.820) 6.312 12.449 ( 4.823 0.000 3.076) 5.720 12.507 ( 4.855 0.000 1.805) 5.180 12.679 ( 6.514 0.000 -0.850) 6.569 12.766 ( 10.084 0.000 -4.426) 11.012 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -0.905 0.000 13.886) 13.915 1.342 ( 0.254 0.000 10.221) 10.224 1.511 ( 4.618 0.000 9.042) 10.153 1.697 ( 4.739 0.000 6.860) 8.338 1.814 ( -6.625 0.000 23.479) 24.396 1.878 ( -4.352 0.000 12.209) 12.961 1.936 ( 6.021 0.000 10.714) 12.290 2.019 ( 9.402 0.000 8.416) 12.618 2.296 ( -3.108 0.000 -2.738) 4.142 2.412 ( -7.149 0.000 -4.635) 8.521 2.414 ( 6.862 0.000 6.537) 9.477 2.529 ( -5.441 0.000 -0.170) 5.444 2.633 ( -1.911 0.000 -1.268) 2.293 2.709 ( -1.592 0.000 3.544) 3.885 2.742 ( -4.763 0.000 1.879) 5.120 2.778 ( 0.607 0.000 -1.853) 1.950 2.958 ( -7.585 0.000 8.486) 11.382 3.088 ( -5.988 0.000 5.734) 8.291 3.113 ( -2.766 0.000 13.572) 13.851 3.283 ( 4.002 0.000 2.578) 4.760 3.356 ( 3.393 0.000 0.676) 3.460 3.387 ( -1.829 0.000 8.115) 8.319 3.473 ( -5.392 0.000 7.027) 8.857 3.583 ( 0.421 0.000 -2.824) 2.855 3.638 ( -2.952 0.000 2.828) 4.089 3.724 ( -3.673 0.000 2.674) 4.544 3.813 ( -4.154 0.000 -0.767) 4.224 3.854 ( 1.791 0.000 3.837) 4.234 4.027 ( 0.391 0.000 7.360) 7.371 4.152 ( -1.844 0.000 0.277) 1.865 4.261 ( -1.991 0.000 2.788) 3.426 4.396 ( -4.099 0.000 -2.154) 4.631 4.567 ( 0.921 0.000 -4.472) 4.566 4.612 ( 0.102 0.000 -2.274) 2.277 4.669 ( 3.421 0.000 0.622) 3.477 4.827 ( 1.807 0.000 -5.747) 6.024 4.859 ( 0.066 0.000 -3.987) 3.987 5.049 ( 0.095 0.000 -6.216) 6.216 5.065 ( -0.114 0.000 -2.850) 2.852 5.147 ( 3.554 0.000 -3.385) 4.908 5.293 ( 2.301 0.000 0.307) 2.321 5.317 ( 2.267 0.000 -3.612) 4.265 5.410 ( 5.086 0.000 0.597) 5.121 5.439 ( 0.613 0.000 -5.013) 5.050 5.497 ( 1.121 0.000 0.880) 1.426 5.576 ( 0.915 0.000 -2.589) 2.746 5.641 ( 2.673 0.000 2.694) 3.795 5.749 ( 0.512 0.000 0.201) 0.551 6.083 ( 0.128 0.000 -3.601) 3.603 6.135 ( -2.909 0.000 -2.728) 3.988 6.150 ( -1.199 0.000 0.413) 1.269 6.372 ( -4.715 0.000 3.615) 5.941 6.403 ( -2.506 0.000 1.038) 2.713 6.497 ( 0.042 0.000 0.911) 0.912 6.649 ( -3.423 0.000 0.021) 3.423 6.786 ( -5.183 0.000 -2.790) 5.886 9.520 ( -3.944 0.000 9.412) 10.205 9.549 ( -4.912 0.000 9.860) 11.015 10.501 ( 1.598 0.000 -7.353) 7.525 10.548 ( 1.404 0.000 -6.541) 6.690 10.689 ( -4.159 0.000 6.631) 7.827 10.803 ( -6.195 0.000 6.502) 8.981 11.007 ( -1.417 0.000 0.886) 1.671 11.036 ( -0.638 0.000 1.676) 1.793 11.364 ( -3.198 0.000 2.808) 4.256 11.603 ( -3.896 0.000 -0.741) 3.965 11.935 ( 2.680 0.000 -4.946) 5.625 12.013 ( 3.582 0.000 -3.413) 4.948 12.549 ( 3.942 0.000 0.736) 4.011 12.611 ( 5.426 0.000 -1.082) 5.533 12.766 ( 4.132 0.000 -1.974) 4.580 12.875 ( 6.220 0.000 -5.226) 8.124 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -1.813 0.000 8.235) 8.433 1.381 ( -4.831 0.000 9.203) 10.394 1.579 ( -3.522 0.000 6.192) 7.124 1.768 ( -2.109 0.000 6.852) 7.169 1.838 ( -8.771 0.000 18.094) 20.107 1.892 ( -4.625 0.000 10.770) 11.721 2.057 ( -1.003 0.000 4.974) 5.074 2.129 ( -2.491 0.000 -2.230) 3.344 2.283 ( -1.193 0.000 3.685) 3.873 2.332 ( 5.726 0.000 -0.463) 5.745 2.427 ( -5.751 0.000 0.503) 5.773 2.496 ( 0.763 0.000 3.159) 3.250 2.609 ( -0.863 0.000 -0.877) 1.230 2.703 ( -1.116 0.000 5.514) 5.626 2.745 ( 2.818 0.000 0.187) 2.824 2.805 ( 1.541 0.000 0.379) 1.586 2.944 ( -4.510 0.000 15.228) 15.882 3.049 ( -1.010 0.000 3.461) 3.606 3.182 ( -3.202 0.000 13.812) 14.178 3.369 ( -4.706 0.000 2.734) 5.443 3.371 ( -1.119 0.000 -0.700) 1.320 3.405 ( 0.473 0.000 7.552) 7.566 3.411 ( -1.039 0.000 4.895) 5.005 3.586 ( 0.500 0.000 -0.418) 0.652 3.610 ( -4.238 0.000 5.174) 6.689 3.664 ( -5.101 0.000 2.263) 5.581 3.734 ( -3.003 0.000 -0.366) 3.025 3.917 ( 1.986 0.000 3.400) 3.937 4.065 ( -3.025 0.000 7.675) 8.249 4.110 ( -1.649 0.000 -1.135) 2.002 4.281 ( 0.129 0.000 -0.480) 0.497 4.328 ( -0.506 0.000 1.787) 1.858 4.573 ( 1.998 0.000 -2.961) 3.572 4.602 ( 1.188 0.000 -3.532) 3.727 4.729 ( 2.524 0.000 -0.630) 2.602 4.740 ( -1.261 0.000 -5.068) 5.223 4.908 ( 4.151 0.000 -4.192) 5.899 5.012 ( -2.654 0.000 -2.760) 3.829 5.021 ( 2.737 0.000 -6.849) 7.375 5.173 ( 1.306 0.000 -2.519) 2.838 5.285 ( -0.403 0.000 -1.914) 1.956 5.319 ( 1.537 0.000 -4.998) 5.229 5.390 ( -0.326 0.000 -3.290) 3.306 5.503 ( -1.243 0.000 0.748) 1.451 5.545 ( 5.560 0.000 -0.502) 5.583 5.582 ( 2.029 0.000 -3.097) 3.703 5.711 ( 1.011 0.000 1.357) 1.692 5.763 ( 0.135 0.000 0.769) 0.781 6.059 ( 0.170 0.000 -3.786) 3.790 6.089 ( 2.450 0.000 -1.967) 3.142 6.121 ( -1.502 0.000 1.704) 2.272 6.317 ( -4.388 0.000 4.419) 6.228 6.374 ( -1.786 0.000 1.883) 2.595 6.512 ( 0.267 0.000 1.886) 1.905 6.613 ( -1.362 0.000 2.189) 2.578 6.707 ( -2.088 0.000 -0.666) 2.192 9.531 ( -2.977 0.000 9.240) 9.708 9.560 ( -2.556 0.000 9.677) 10.009 10.477 ( 2.166 0.000 -7.061) 7.386 10.523 ( 1.740 0.000 -6.502) 6.731 10.670 ( -3.554 0.000 6.679) 7.566 10.760 ( -4.483 0.000 7.426) 8.674 10.997 ( -0.652 0.000 1.495) 1.631 11.041 ( -0.637 0.000 2.252) 2.341 11.351 ( -1.045 0.000 3.867) 4.006 11.563 ( -0.637 0.000 1.549) 1.675 11.944 ( 2.439 0.000 -4.452) 5.077 12.039 ( 2.109 0.000 -3.318) 3.932 12.595 ( 1.142 0.000 -1.436) 1.835 12.670 ( 2.726 0.000 -3.890) 4.751 12.801 ( 1.727 0.000 -2.899) 3.375 12.925 ( 3.916 0.000 -5.257) 6.555 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -11.861 0.000 11.496) 16.518 1.360 ( 0.323 0.000 0.832) 0.892 1.498 ( -10.434 0.000 7.937) 13.110 1.727 ( -8.154 0.000 6.024) 10.138 1.810 ( -8.225 0.000 14.173) 16.386 1.862 ( -7.519 0.000 8.682) 11.485 1.994 ( -7.755 0.000 1.198) 7.847 2.002 ( -7.345 0.000 -4.483) 8.605 2.286 ( -2.627 0.000 4.930) 5.586 2.300 ( -9.034 0.000 2.185) 9.295 2.465 ( 5.488 0.000 4.545) 7.125 2.559 ( 1.713 0.000 6.129) 6.364 2.598 ( 1.640 0.000 -1.747) 2.396 2.785 ( -1.901 0.000 11.098) 11.260 2.800 ( 2.266 0.000 0.031) 2.267 2.833 ( 7.494 0.000 -3.662) 8.341 2.974 ( -4.930 0.000 13.856) 14.707 3.124 ( 3.659 0.000 5.148) 6.316 3.189 ( -6.797 0.000 12.883) 14.566 3.272 ( -7.438 0.000 5.291) 9.128 3.330 ( -1.311 0.000 -3.954) 4.165 3.443 ( 0.030 0.000 5.554) 5.554 3.489 ( 1.461 0.000 5.087) 5.292 3.560 ( -4.475 0.000 0.601) 4.516 3.582 ( -2.258 0.000 4.865) 5.363 3.594 ( -1.901 0.000 0.918) 2.112 3.729 ( 1.823 0.000 1.843) 2.592 3.968 ( 0.628 0.000 2.396) 2.477 4.025 ( -7.747 0.000 6.617) 10.188 4.088 ( -0.048 0.000 -1.000) 1.001 4.243 ( 1.177 0.000 -6.217) 6.327 4.393 ( 0.152 0.000 7.460) 7.462 4.567 ( 0.137 0.000 -3.156) 3.159 4.589 ( 1.492 0.000 -5.213) 5.422 4.725 ( 3.048 0.000 -4.447) 5.391 4.741 ( -1.119 0.000 0.386) 1.184 4.934 ( 1.966 0.000 -2.636) 3.288 4.959 ( -0.016 0.000 -2.602) 2.602 5.054 ( 6.272 0.000 -5.168) 8.127 5.152 ( -0.909 0.000 -2.711) 2.859 5.283 ( 1.904 0.000 -2.896) 3.465 5.297 ( 0.757 0.000 -4.957) 5.014 5.364 ( 1.019 0.000 -5.257) 5.355 5.473 ( -1.823 0.000 -0.698) 1.953 5.575 ( -0.947 0.000 -2.653) 2.817 5.588 ( 1.008 0.000 -1.886) 2.138 5.680 ( -3.513 0.000 0.283) 3.524 5.767 ( -0.202 0.000 0.898) 0.920 6.083 ( 4.328 0.000 -1.467) 4.570 6.133 ( -0.526 0.000 2.675) 2.726 6.164 ( 4.983 0.000 -0.345) 4.995 6.286 ( -2.432 0.000 4.715) 5.305 6.373 ( -0.359 0.000 3.280) 3.300 6.542 ( 1.343 0.000 2.397) 2.748 6.632 ( 1.122 0.000 3.012) 3.214 6.684 ( 0.114 0.000 -0.995) 1.001 9.550 ( -2.884 0.000 8.831) 9.290 9.603 ( -1.003 0.000 9.400) 9.453 10.472 ( 3.314 0.000 -6.826) 7.588 10.513 ( 2.741 0.000 -6.352) 6.919 10.666 ( -2.830 0.000 7.238) 7.771 10.756 ( -2.891 0.000 8.715) 9.182 11.004 ( -0.024 0.000 1.739) 1.739 11.046 ( -0.686 0.000 2.150) 2.257 11.386 ( 0.959 0.000 4.816) 4.911 11.609 ( 3.460 0.000 3.630) 5.015 11.957 ( 2.505 0.000 -4.006) 4.725 12.042 ( 1.331 0.000 -3.682) 3.915 12.566 ( -2.461 0.000 -2.413) 3.447 12.645 ( -1.529 0.000 -4.789) 5.027 12.778 ( -1.236 0.000 -4.490) 4.656 12.935 ( 2.089 0.000 -6.864) 7.174 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -16.011 0.000 11.239) 19.561 1.346 ( -13.787 0.000 8.223) 16.053 1.390 ( 2.294 0.000 -1.179) 2.579 1.537 ( -15.461 0.000 0.510) 15.469 1.710 ( -17.678 0.000 12.594) 21.705 1.760 ( -9.564 0.000 15.489) 18.204 1.764 ( -15.113 0.000 1.081) 15.152 1.828 ( -11.268 0.000 0.098) 11.268 2.195 ( -4.896 0.000 6.345) 8.014 2.290 ( -0.126 0.000 3.848) 3.850 2.600 ( 4.199 0.000 4.832) 6.402 2.607 ( 1.734 0.000 0.729) 1.881 2.670 ( 3.377 0.000 3.216) 4.664 2.795 ( -5.072 0.000 14.212) 15.090 2.807 ( -0.438 0.000 0.801) 0.913 3.007 ( 11.602 0.000 -7.611) 13.876 3.014 ( -2.592 0.000 13.251) 13.502 3.113 ( -7.811 0.000 7.177) 10.608 3.167 ( -5.409 0.000 9.226) 10.695 3.252 ( -2.655 0.000 -4.511) 5.234 3.282 ( 2.066 0.000 6.223) 6.557 3.471 ( -3.979 0.000 6.566) 7.678 3.511 ( -0.417 0.000 2.802) 2.833 3.553 ( 0.233 0.000 3.127) 3.136 3.579 ( -0.156 0.000 -0.757) 0.773 3.611 ( 2.219 0.000 4.222) 4.770 3.750 ( -3.683 0.000 0.673) 3.744 3.953 ( -1.296 0.000 5.457) 5.609 3.978 ( -1.245 0.000 1.990) 2.347 4.076 ( -0.426 0.000 -1.147) 1.223 4.237 ( 1.684 0.000 -2.899) 3.352 4.389 ( -4.657 0.000 3.263) 5.687 4.551 ( 1.602 0.000 -4.049) 4.354 4.621 ( 3.717 0.000 -0.504) 3.751 4.709 ( -1.710 0.000 0.505) 1.783 4.751 ( 3.538 0.000 -4.919) 6.059 4.942 ( 0.573 0.000 -1.538) 1.642 4.960 ( 2.302 0.000 -4.108) 4.709 5.112 ( -1.067 0.000 -2.221) 2.464 5.160 ( 7.616 0.000 -2.642) 8.061 5.296 ( 2.168 0.000 -3.672) 4.264 5.296 ( 2.623 0.000 -1.497) 3.020 5.339 ( 1.107 0.000 -6.398) 6.493 5.432 ( -1.331 0.000 -1.825) 2.259 5.502 ( -2.239 0.000 -4.883) 5.372 5.605 ( 1.896 0.000 0.163) 1.903 5.636 ( -2.381 0.000 2.700) 3.600 5.763 ( -1.461 0.000 1.314) 1.965 6.093 ( -4.600 0.000 -0.089) 4.601 6.154 ( 3.204 0.000 -0.378) 3.226 6.227 ( 1.934 0.000 0.018) 1.934 6.326 ( 2.423 0.000 5.294) 5.822 6.410 ( 0.832 0.000 4.041) 4.126 6.572 ( -1.315 0.000 1.295) 1.845 6.695 ( 3.114 0.000 2.236) 3.834 6.719 ( 5.649 0.000 -1.566) 5.862 9.563 ( -3.218 0.000 8.662) 9.240 9.671 ( 0.453 0.000 8.986) 8.998 10.488 ( 4.159 0.000 -6.895) 8.053 10.524 ( 3.727 0.000 -6.085) 7.135 10.683 ( -1.972 0.000 8.199) 8.432 10.795 ( -0.844 0.000 10.529) 10.563 11.020 ( 0.189 0.000 1.553) 1.564 11.050 ( -0.409 0.000 1.588) 1.640 11.458 ( 2.284 0.000 5.129) 5.615 11.746 ( 7.550 0.000 4.966) 9.036 11.967 ( 1.801 0.000 -4.117) 4.494 12.033 ( 1.346 0.000 -4.505) 4.702 12.476 ( -5.139 0.000 -1.675) 5.405 12.550 ( -4.655 0.000 -3.343) 5.731 12.679 ( -4.777 0.000 -6.720) 8.245 12.877 ( -1.417 0.000 -10.527) 10.622 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -14.030 0.000 14.424) 20.121 1.013 ( -24.935 0.000 2.262) 25.037 1.273 ( -14.570 0.000 3.249) 14.928 1.404 ( 0.145 0.000 -1.811) 1.817 1.497 ( -15.407 0.000 4.819) 16.143 1.522 ( -15.605 0.000 25.441) 29.846 1.636 ( -10.089 0.000 4.793) 11.170 1.722 ( -8.942 0.000 17.718) 19.847 2.159 ( -5.876 0.000 6.211) 8.550 2.328 ( 0.962 0.000 2.618) 2.789 2.664 ( 3.649 0.000 1.711) 4.031 2.684 ( 1.331 0.000 4.828) 5.008 2.727 ( 0.008 0.000 3.000) 3.000 2.826 ( -3.458 0.000 10.576) 11.127 2.853 ( 3.755 0.000 1.849) 4.186 2.988 ( -6.257 0.000 7.806) 10.005 3.057 ( -3.479 0.000 11.192) 11.720 3.089 ( -4.519 0.000 -2.676) 5.252 3.186 ( 6.728 0.000 -2.637) 7.226 3.235 ( -1.240 0.000 7.581) 7.682 3.330 ( -2.328 0.000 4.946) 5.467 3.435 ( -4.623 0.000 4.125) 6.195 3.472 ( -7.618 0.000 -1.500) 7.765 3.495 ( -3.719 0.000 2.055) 4.249 3.603 ( 1.299 0.000 3.265) 3.514 3.708 ( 0.651 0.000 0.650) 0.920 3.726 ( 5.524 0.000 2.534) 6.077 3.976 ( -0.159 0.000 2.816) 2.820 4.030 ( 2.909 0.000 3.194) 4.320 4.057 ( -0.952 0.000 -0.796) 1.241 4.256 ( 1.232 0.000 1.955) 2.311 4.336 ( -3.012 0.000 4.027) 5.029 4.563 ( 3.673 0.000 -5.406) 6.536 4.591 ( -5.509 0.000 1.126) 5.623 4.772 ( 2.675 0.000 -5.391) 6.018 4.775 ( 7.216 0.000 -2.244) 7.556 4.938 ( 1.339 0.000 -2.348) 2.703 4.963 ( 1.486 0.000 -4.271) 4.522 5.079 ( -0.880 0.000 -1.648) 1.868 5.262 ( 4.704 0.000 -0.730) 4.761 5.274 ( -1.493 0.000 -5.399) 5.602 5.320 ( 1.935 0.000 -4.011) 4.454 5.343 ( 1.926 0.000 -1.420) 2.393 5.407 ( -0.898 0.000 0.987) 1.335 5.453 ( 1.660 0.000 -5.280) 5.535 5.625 ( -1.431 0.000 2.955) 3.283 5.650 ( 0.337 0.000 1.024) 1.078 5.758 ( 1.872 0.000 2.275) 2.946 5.998 ( -3.885 0.000 -2.428) 4.581 6.181 ( 0.349 0.000 -1.004) 1.063 6.250 ( 0.064 0.000 1.608) 1.610 6.451 ( 0.156 0.000 3.355) 3.359 6.454 ( 7.293 0.000 3.554) 8.113 6.521 ( -2.920 0.000 -1.616) 3.337 6.767 ( 2.973 0.000 0.765) 3.069 6.831 ( 6.323 0.000 -1.310) 6.457 9.570 ( -3.662 0.000 9.166) 9.871 9.759 ( 1.595 0.000 7.571) 7.737 10.511 ( 4.295 0.000 -7.060) 8.263 10.549 ( 4.020 0.000 -5.923) 7.158 10.719 ( -1.664 0.000 8.737) 8.895 10.909 ( 4.056 0.000 12.071) 12.734 11.033 ( 0.123 0.000 0.930) 0.938 11.058 ( 0.007 0.000 1.069) 1.069 11.535 ( 1.681 0.000 3.894) 4.242 11.948 ( -0.061 0.000 -4.846) 4.847 11.950 ( 9.713 0.000 4.400) 10.663 12.015 ( 0.734 0.000 -6.409) 6.451 12.369 ( -5.693 0.000 0.497) 5.714 12.447 ( -4.280 0.000 -0.225) 4.286 12.505 ( -6.803 0.000 -7.859) 10.395 12.697 ( -7.995 0.000 -12.787) 15.081 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -11.652 0.000 16.005) 19.797 0.816 ( -7.591 0.000 19.678) 21.091 1.087 ( -7.069 0.000 8.185) 10.815 1.307 ( -10.385 0.000 8.637) 13.507 1.402 ( 0.443 0.000 4.204) 4.228 1.533 ( -9.664 0.000 31.500) 32.949 1.546 ( -4.820 0.000 5.972) 7.675 1.707 ( -7.875 0.000 18.727) 20.315 2.104 ( -4.305 0.000 6.588) 7.870 2.364 ( 1.708 0.000 0.665) 1.833 2.690 ( -2.566 0.000 0.613) 2.638 2.743 ( -0.059 0.000 6.771) 6.771 2.771 ( 2.491 0.000 -0.094) 2.493 2.808 ( -3.621 0.000 2.115) 4.193 2.899 ( -1.064 0.000 2.301) 2.535 2.984 ( -3.926 0.000 12.897) 13.481 3.014 ( -1.178 0.000 -1.085) 1.601 3.103 ( -2.054 0.000 11.968) 12.143 3.175 ( -8.319 0.000 3.835) 9.161 3.275 ( -2.422 0.000 8.728) 9.058 3.333 ( 0.949 0.000 1.719) 1.963 3.355 ( -2.104 0.000 -4.150) 4.653 3.361 ( -4.368 0.000 4.707) 6.422 3.455 ( -2.330 0.000 1.403) 2.720 3.651 ( 0.481 0.000 4.653) 4.678 3.724 ( 0.491 0.000 -0.263) 0.557 3.834 ( 4.871 0.000 -0.646) 4.914 3.996 ( -2.890 0.000 -0.348) 2.911 4.047 ( 1.979 0.000 3.916) 4.388 4.055 ( -1.991 0.000 0.955) 2.209 4.325 ( 2.502 0.000 4.934) 5.533 4.371 ( 1.599 0.000 7.632) 7.797 4.496 ( -4.910 0.000 0.477) 4.933 4.600 ( 5.182 0.000 -6.024) 7.946 4.751 ( 1.005 0.000 -7.535) 7.602 4.859 ( 3.596 0.000 -4.580) 5.823 4.960 ( 2.572 0.000 -3.510) 4.352 4.964 ( 2.984 0.000 -2.328) 3.785 5.059 ( 0.138 0.000 -0.760) 0.772 5.182 ( -2.840 0.000 -6.517) 7.109 5.308 ( 0.696 0.000 -0.680) 0.973 5.319 ( 1.110 0.000 -3.746) 3.907 5.358 ( -2.188 0.000 -0.114) 2.191 5.373 ( -0.795 0.000 0.897) 1.199 5.467 ( 3.196 0.000 -3.741) 4.920 5.628 ( -1.284 0.000 -0.502) 1.379 5.629 ( -0.392 0.000 2.124) 2.160 5.866 ( 4.789 0.000 3.321) 5.828 5.919 ( -2.050 0.000 -3.417) 3.985 6.162 ( -0.886 0.000 -1.661) 1.882 6.253 ( -1.327 0.000 1.972) 2.377 6.468 ( -0.715 0.000 2.438) 2.541 6.474 ( 0.418 0.000 -2.536) 2.570 6.597 ( 5.853 0.000 -5.735) 8.195 6.807 ( 1.036 0.000 -0.545) 1.170 6.925 ( 5.165 0.000 0.484) 5.188 9.570 ( -4.655 0.000 9.669) 10.731 9.812 ( -2.447 0.000 4.461) 5.088 10.531 ( 3.889 0.000 -7.106) 8.101 10.572 ( 3.480 0.000 -6.056) 6.985 10.748 ( -2.852 0.000 8.337) 8.812 11.039 ( -0.043 0.000 0.281) 0.285 11.065 ( -0.070 0.000 0.671) 0.674 11.115 ( 7.201 0.000 4.682) 8.589 11.561 ( -1.597 0.000 1.603) 2.263 11.898 ( -2.442 0.000 -6.856) 7.278 11.915 ( -3.151 0.000 -5.928) 6.714 12.091 ( -0.779 0.000 -3.485) 3.571 12.265 ( -2.385 0.000 1.561) 2.850 12.402 ( -1.482 0.000 2.132) 2.597 12.415 ( 2.694 0.000 0.140) 2.698 12.484 ( -3.191 0.000 -2.024) 3.779 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 6.838 5.547 16.670) 18.853 1.023 ( 2.904 4.698 15.973) 16.901 1.107 ( 4.042 -3.564 15.220) 16.146 1.210 ( -1.165 -4.616 11.868) 12.788 1.462 ( 5.301 -2.688 11.482) 12.929 1.476 ( 2.190 -3.473 12.175) 12.849 1.732 ( -6.188 6.695 23.128) 24.860 1.810 ( -5.170 0.320 22.171) 22.768 2.178 ( -0.771 6.573 4.646) 8.086 2.329 ( 0.879 -5.670 3.051) 6.498 2.675 ( 0.322 -1.032 -2.259) 2.504 2.691 ( -0.801 -0.608 -1.483) 1.792 2.753 ( -4.978 3.902 1.989) 6.630 2.811 ( -2.965 0.249 2.543) 3.914 2.875 ( -6.318 -0.024 1.328) 6.456 2.903 ( -5.852 -3.796 5.371) 8.803 3.018 ( -3.894 -2.609 9.489) 10.583 3.048 ( -3.323 -3.163 8.782) 9.908 3.133 ( -1.913 4.104 6.011) 7.526 3.231 ( -4.190 -3.249 4.374) 6.874 3.298 ( -3.777 2.137 1.831) 4.710 3.334 ( -2.728 -0.639 3.942) 4.837 3.497 ( 4.929 3.340 1.833) 6.229 3.544 ( -0.746 6.688 5.122) 8.457 3.614 ( 2.532 -4.988 0.037) 5.593 3.695 ( -1.093 -3.860 2.920) 4.962 3.905 ( -4.090 0.892 -2.097) 4.682 3.907 ( 1.921 0.806 0.829) 2.242 3.966 ( -4.463 -1.786 0.385) 4.822 4.001 ( 1.986 -5.874 0.663) 6.235 4.466 ( 0.383 1.482 6.599) 6.774 4.483 ( 1.662 -0.012 5.487) 5.733 4.552 ( -1.051 10.916 -0.000) 10.966 4.678 ( 3.534 1.997 -6.433) 7.607 4.721 ( 3.133 -0.505 -7.080) 7.759 4.761 ( -2.040 -6.251 -3.141) 7.287 4.954 ( -1.470 1.053 -3.027) 3.526 5.004 ( -0.284 -2.154 -1.872) 2.868 5.108 ( 3.358 2.212 -0.690) 4.080 5.160 ( 3.010 2.137 -4.296) 5.664 5.185 ( -1.259 -1.273 -2.110) 2.767 5.264 ( -1.583 -2.720 -2.376) 3.943 5.384 ( -0.208 2.982 -3.035) 4.260 5.423 ( 1.519 -0.425 0.246) 1.596 5.513 ( 2.204 1.694 -1.869) 3.350 5.567 ( -0.794 -3.454 0.599) 3.594 5.623 ( -1.089 4.101 -3.383) 5.426 5.772 ( -1.082 -7.419 -4.220) 8.604 5.966 ( 2.626 2.364 3.618) 5.057 6.088 ( -0.339 -8.163 2.868) 8.659 6.222 ( 0.861 4.496 -0.260) 4.585 6.320 ( 1.411 -5.214 1.494) 5.605 6.609 ( -1.363 6.234 0.100) 6.382 6.709 ( -2.761 0.307 -2.654) 3.842 6.794 ( -1.454 6.181 -5.122) 8.158 6.947 ( 0.492 -4.991 -5.708) 7.598 9.573 ( -6.170 2.147 9.634) 11.640 9.652 ( -8.438 -4.837 8.370) 12.832 10.546 ( 2.812 0.711 -6.614) 7.222 10.567 ( 2.615 -0.993 -6.184) 6.787 10.781 ( -4.278 3.442 6.995) 8.892 10.896 ( -5.132 -7.321 5.398) 10.444 11.061 ( -1.047 0.396 0.358) 1.176 11.070 ( -1.626 -0.346 0.567) 1.756 11.706 ( -8.945 10.509 -6.469) 15.241 11.844 ( -2.709 -2.398 -5.118) 6.267 11.883 ( 0.366 0.029 -4.747) 4.761 11.905 ( 1.780 -1.067 -5.115) 5.520 12.364 ( 2.936 2.249 3.425) 5.041 12.410 ( 1.749 -1.481 2.672) 3.520 12.548 ( 9.056 0.695 0.670) 9.107 12.568 ( 10.313 -0.900 0.117) 10.353 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.147 2.560 16.917) 17.110 1.193 ( 0.230 -4.829 10.161) 11.252 1.340 ( 10.483 5.303 14.226) 18.450 1.442 ( 11.151 -3.205 11.003) 15.990 1.662 ( 5.267 -1.198 13.609) 14.642 1.695 ( 7.515 -3.402 13.278) 15.632 1.816 ( -2.576 4.674 19.298) 20.023 1.885 ( -4.759 -0.808 18.565) 19.182 2.255 ( 4.594 6.030 6.232) 9.814 2.366 ( 1.071 -2.477 -1.238) 2.969 2.595 ( -7.468 1.595 -0.638) 7.663 2.645 ( -4.256 -1.901 -0.927) 4.753 2.707 ( -2.266 2.984 0.417) 3.770 2.728 ( -1.712 0.387 -0.302) 1.781 2.802 ( -3.460 0.704 1.766) 3.948 2.830 ( -4.632 -1.477 1.708) 5.153 3.001 ( -6.762 -1.839 11.589) 13.543 3.012 ( -6.109 -4.326 7.574) 10.649 3.207 ( -3.146 0.960 8.683) 9.285 3.218 ( 1.565 1.523 3.989) 4.548 3.263 ( -2.178 -0.201 4.795) 5.270 3.341 ( 0.487 -2.583 3.306) 4.224 3.548 ( 0.185 1.575 -1.638) 2.280 3.560 ( -1.644 6.944 5.634) 9.092 3.653 ( 0.019 -4.704 -0.059) 4.704 3.702 ( -1.136 -5.045 4.278) 6.711 3.799 ( -3.799 2.840 -1.345) 4.930 3.884 ( -3.439 -3.701 0.784) 5.113 3.944 ( 0.642 1.706 1.237) 2.203 4.039 ( 0.558 -6.631 2.149) 6.993 4.460 ( -2.581 8.877 0.711) 9.272 4.526 ( 0.325 2.314 1.307) 2.678 4.591 ( 0.661 1.343 5.375) 5.579 4.635 ( -3.407 -1.298 -4.591) 5.863 4.698 ( 0.167 2.294 -4.694) 5.227 4.753 ( 5.563 -0.865 -5.773) 8.063 4.917 ( -0.992 -1.063 -2.176) 2.617 4.983 ( 0.309 -5.449 -3.181) 6.317 5.117 ( -0.022 2.419 -3.434) 4.201 5.151 ( -1.510 -0.318 -2.674) 3.088 5.231 ( 6.246 2.142 -1.158) 6.704 5.266 ( 4.473 -1.579 -1.299) 4.918 5.356 ( 0.555 2.746 -3.591) 4.555 5.430 ( -0.374 -3.142 -1.097) 3.349 5.543 ( 2.331 2.839 -1.075) 3.828 5.567 ( 1.067 0.594 -1.769) 2.149 5.602 ( 0.705 1.263 -1.035) 1.778 5.728 ( -0.125 -6.024 -2.606) 6.564 6.015 ( 0.557 0.222 0.921) 1.099 6.089 ( -0.854 -5.366 0.722) 5.481 6.250 ( 0.944 4.628 0.906) 4.809 6.349 ( -0.035 -4.429 1.352) 4.631 6.568 ( -3.298 5.761 0.251) 6.643 6.613 ( -4.708 5.592 -2.039) 7.589 6.714 ( -3.231 1.010 -2.546) 4.236 6.849 ( -5.177 -6.580 -5.277) 9.897 9.538 ( -5.589 0.961 9.611) 11.159 9.571 ( -7.345 -1.858 9.567) 12.203 10.536 ( 1.905 0.797 -6.834) 7.139 10.558 ( 1.815 -0.988 -6.366) 6.693 10.749 ( -4.782 2.803 6.467) 8.518 10.828 ( -6.247 -4.247 5.800) 9.524 11.036 ( -1.636 0.530 0.579) 1.815 11.044 ( -1.517 -0.158 0.551) 1.622 11.529 ( -6.727 7.457 -1.045) 10.097 11.667 ( -6.995 -4.562 -3.125) 8.917 11.928 ( 4.237 1.013 -4.711) 6.417 11.951 ( 4.721 -0.911 -4.148) 6.351 12.463 ( 4.657 1.178 2.745) 5.533 12.492 ( 4.635 -1.241 2.117) 5.244 12.700 ( 7.410 1.730 -1.656) 7.787 12.743 ( 9.146 -1.901 -3.417) 9.947 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -1.000 0.545 12.997) 13.047 1.275 ( -0.712 -4.347 11.153) 11.992 1.579 ( 4.747 4.961 7.706) 10.321 1.675 ( 5.355 -2.887 6.266) 8.734 1.818 ( -3.176 0.980 20.014) 20.288 1.857 ( -4.182 -2.123 17.089) 17.721 1.954 ( 4.498 2.235 10.545) 11.680 2.005 ( 6.332 -1.662 8.614) 10.820 2.311 ( -1.916 1.954 -2.446) 3.671 2.363 ( -1.254 -2.240 -3.037) 3.977 2.482 ( -1.779 2.886 0.203) 3.396 2.535 ( -5.593 -1.706 -1.484) 6.033 2.691 ( -0.369 5.095 0.670) 5.152 2.724 ( -0.172 1.763 0.939) 2.005 2.756 ( -2.705 1.151 3.437) 4.523 2.785 ( -2.159 -0.541 4.458) 4.982 2.960 ( -3.836 0.474 8.464) 9.305 3.030 ( -2.142 -4.267 11.285) 12.253 3.166 ( -7.248 3.622 9.947) 12.829 3.246 ( -1.389 0.029 3.440) 3.710 3.282 ( -1.598 -3.603 3.968) 5.593 3.392 ( 2.314 -5.913 1.505) 6.526 3.521 ( -1.159 3.281 -0.644) 3.539 3.565 ( -3.429 4.100 6.138) 8.139 3.630 ( -1.736 -2.648 2.205) 3.858 3.689 ( -4.817 -4.658 6.122) 9.077 3.781 ( 2.389 2.680 -2.014) 4.117 3.864 ( -0.124 -2.125 1.660) 2.699 3.954 ( -0.945 -0.725 2.294) 2.585 4.052 ( -1.551 -6.889 2.963) 7.658 4.424 ( -1.211 10.229 0.108) 10.301 4.490 ( -3.635 6.406 -1.277) 7.475 4.575 ( 1.388 -2.711 -3.278) 4.474 4.625 ( 1.187 -2.591 -0.882) 2.984 4.690 ( 0.384 5.041 0.079) 5.056 4.789 ( 0.695 -3.401 -4.524) 5.702 4.881 ( 1.164 2.140 -2.950) 3.826 4.963 ( 0.762 -4.873 -3.826) 6.242 5.088 ( -1.122 0.218 -4.070) 4.228 5.106 ( 0.688 -2.370 -2.742) 3.689 5.295 ( 1.526 1.373 -3.436) 4.003 5.337 ( 1.045 -1.677 -4.124) 4.574 5.385 ( 6.619 1.886 0.115) 6.884 5.430 ( 1.743 -0.794 -0.478) 1.974 5.586 ( 3.879 5.170 -1.652) 6.671 5.588 ( 1.779 0.697 -1.316) 2.320 5.607 ( 0.902 -0.510 -0.594) 1.194 5.737 ( 2.146 -5.178 -0.366) 5.617 6.015 ( -0.500 0.171 -0.203) 0.567 6.074 ( -0.732 -3.189 -0.810) 3.371 6.239 ( -2.520 3.996 -0.216) 4.730 6.327 ( -3.102 -3.265 0.876) 4.588 6.506 ( -3.710 4.122 2.190) 5.963 6.525 ( -3.958 3.317 -0.217) 5.169 6.650 ( -2.054 0.484 -0.568) 2.185 6.724 ( -4.151 -4.932 -1.961) 6.738 9.525 ( -4.065 0.486 9.509) 10.353 9.539 ( -4.524 -0.732 9.731) 10.756 10.512 ( 1.494 0.939 -6.935) 7.156 10.535 ( 1.398 -1.028 -6.531) 6.758 10.714 ( -4.375 2.159 6.421) 8.064 10.770 ( -5.288 -2.543 6.394) 8.678 11.014 ( -1.318 0.631 1.058) 1.804 11.029 ( -0.951 -0.606 1.431) 1.822 11.435 ( -3.775 5.572 1.553) 6.907 11.553 ( -4.019 -4.376 -0.169) 5.944 11.956 ( 2.946 1.693 -4.519) 5.655 11.995 ( 3.397 -1.570 -3.758) 5.304 12.561 ( 4.084 1.074 0.412) 4.242 12.591 ( 4.725 -1.494 -0.442) 4.975 12.795 ( 4.933 2.302 -2.848) 6.143 12.848 ( 5.874 -2.227 -4.410) 7.676 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -2.923 -0.077 9.105) 9.563 1.316 ( -3.909 -4.048 9.017) 10.629 1.639 ( -3.419 4.536 5.832) 8.141 1.736 ( -3.208 -3.549 6.173) 7.810 1.863 ( -5.979 2.306 14.387) 15.750 1.901 ( -4.442 -0.379 13.306) 14.033 2.067 ( -0.646 1.429 4.941) 5.184 2.112 ( -1.596 -1.860 1.877) 3.087 2.277 ( -2.061 0.259 -0.867) 2.251 2.305 ( 1.967 -1.711 -1.924) 3.240 2.431 ( -3.814 1.312 2.128) 4.560 2.482 ( -1.002 -2.526 3.804) 4.675 2.676 ( -0.560 5.541 -0.389) 5.583 2.747 ( 1.591 0.515 1.228) 2.075 2.777 ( 1.249 4.927 4.387) 6.714 2.838 ( 2.220 -0.121 6.436) 6.809 2.985 ( -2.658 2.354 7.862) 8.627 3.033 ( -3.087 -0.560 3.881) 4.991 3.155 ( -3.734 -1.314 12.042) 12.676 3.232 ( -4.435 -6.634 9.539) 12.436 3.302 ( 1.317 0.627 1.097) 1.825 3.420 ( -0.238 -9.103 0.365) 9.113 3.497 ( -2.338 4.674 1.126) 5.346 3.551 ( -2.724 3.556 6.170) 7.624 3.601 ( -4.801 -1.310 4.586) 6.767 3.646 ( -4.553 -1.817 5.656) 7.485 3.806 ( 0.449 5.356 -0.859) 5.443 3.886 ( 1.276 -0.748 1.130) 1.862 3.952 ( -0.836 -4.680 1.311) 4.932 4.029 ( -3.122 -7.431 2.780) 8.526 4.412 ( 0.586 8.549 -3.062) 9.099 4.452 ( -0.772 7.597 3.258) 8.302 4.579 ( 1.795 -1.862 -4.254) 4.979 4.655 ( 3.719 -0.199 -2.273) 4.363 4.674 ( -2.344 0.528 -0.682) 2.498 4.744 ( 0.009 -1.063 -2.603) 2.812 4.904 ( 2.451 0.200 -3.454) 4.240 4.955 ( 1.633 -4.458 -4.516) 6.552 5.036 ( -0.408 2.132 -2.839) 3.574 5.111 ( 0.919 -4.679 -1.012) 4.875 5.268 ( 0.061 1.415 -4.970) 5.168 5.307 ( 0.282 -1.684 -5.138) 5.414 5.452 ( 1.061 3.748 -1.325) 4.114 5.493 ( 4.542 -0.319 -0.509) 4.582 5.589 ( 0.464 0.899 -1.852) 2.110 5.616 ( -0.122 -3.165 -1.424) 3.473 5.642 ( 1.811 5.312 -2.013) 5.963 5.779 ( 1.267 -5.260 -0.785) 5.467 6.007 ( 0.572 1.524 -0.204) 1.640 6.067 ( 1.636 -2.184 -1.047) 2.923 6.196 ( -0.818 4.704 1.460) 4.993 6.288 ( -1.702 -2.509 3.058) 4.306 6.454 ( -3.556 3.091 2.025) 5.128 6.476 ( -2.589 -1.130 2.446) 3.737 6.631 ( -0.363 1.027 0.979) 1.464 6.671 ( -1.254 -2.579 -0.136) 2.871 9.537 ( -2.888 0.512 9.323) 9.773 9.551 ( -2.678 -0.686 9.536) 9.929 10.488 ( 1.997 0.951 -6.787) 7.138 10.511 ( 1.784 -1.006 -6.501) 6.816 10.692 ( -3.652 1.806 6.689) 7.832 10.736 ( -4.110 -1.925 7.069) 8.400 11.007 ( -0.619 0.892 1.662) 1.985 11.029 ( -0.603 -0.951 2.015) 2.308 11.410 ( -1.033 4.740 3.192) 5.807 11.516 ( -0.808 -4.104 2.017) 4.643 11.970 ( 2.389 2.108 -4.098) 5.191 12.017 ( 2.224 -1.857 -3.547) 4.580 12.607 ( 1.298 1.124 -1.836) 2.514 12.642 ( 1.939 -1.910 -2.922) 3.993 12.838 ( 2.615 2.759 -3.768) 5.352 12.898 ( 3.560 -2.324 -4.800) 6.412 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -9.134 0.348 9.329) 13.061 1.294 ( -3.407 -4.445 4.384) 7.113 1.567 ( -9.437 5.054 7.070) 12.829 1.677 ( -8.567 -4.431 6.729) 11.760 1.849 ( -6.098 2.977 8.971) 11.248 1.884 ( -7.180 0.514 9.268) 11.735 2.005 ( -9.258 0.938 1.111) 9.372 2.020 ( -6.956 0.447 -0.953) 7.035 2.248 ( -3.790 -1.544 2.495) 4.793 2.263 ( -3.494 -2.288 2.100) 4.675 2.481 ( 4.354 1.560 4.462) 6.427 2.526 ( 2.234 -2.323 4.833) 5.809 2.668 ( -1.300 6.509 1.290) 6.761 2.789 ( 0.328 -0.848 3.401) 3.520 2.857 ( -1.503 1.855 7.799) 8.156 2.910 ( 2.028 0.156 5.201) 5.584 2.971 ( -1.675 4.090 4.897) 6.596 3.064 ( 2.749 -3.158 2.046) 4.660 3.185 ( -2.755 0.264 10.530) 10.887 3.231 ( -5.701 -2.655 11.950) 13.504 3.316 ( -0.549 0.695 -1.057) 1.379 3.416 ( 1.014 -8.390 -1.369) 8.562 3.464 ( -1.937 1.465 3.795) 4.506 3.516 ( -4.330 -3.060 2.221) 5.749 3.579 ( -2.913 3.786 7.408) 8.815 3.613 ( -3.480 0.377 5.796) 6.771 3.798 ( -0.326 4.449 -0.148) 4.464 3.904 ( -1.336 -4.892 -0.940) 5.157 3.938 ( -0.934 -1.977 2.419) 3.261 4.005 ( -0.298 -5.762 0.875) 5.836 4.395 ( -0.250 8.066 -2.868) 8.565 4.463 ( -2.484 2.918 2.925) 4.821 4.579 ( 2.041 1.690 -3.368) 4.286 4.633 ( 0.028 0.480 -2.139) 2.192 4.715 ( 4.387 0.628 -3.008) 5.356 4.742 ( 0.565 -0.313 -0.608) 0.888 4.919 ( 2.283 -0.443 -2.037) 3.092 4.943 ( 1.620 -1.567 -4.068) 4.651 5.051 ( 3.447 0.665 -2.137) 4.110 5.116 ( -0.174 -4.520 0.042) 4.523 5.239 ( 1.420 0.658 -4.972) 5.213 5.277 ( 1.176 -2.020 -4.547) 5.112 5.442 ( -0.633 5.652 -2.593) 6.250 5.533 ( 0.496 -0.826 -2.205) 2.406 5.580 ( -0.409 -0.659 -1.575) 1.756 5.581 ( -2.006 4.348 -3.617) 6.001 5.608 ( -0.600 -1.365 -2.300) 2.742 5.754 ( -1.375 -6.814 -1.774) 7.174 6.039 ( 1.721 2.118 1.091) 2.940 6.110 ( 1.918 -3.394 0.678) 3.957 6.248 ( 2.497 6.389 3.300) 7.612 6.326 ( 2.556 1.561 3.958) 4.963 6.417 ( -2.640 1.439 2.572) 3.957 6.473 ( 1.213 -4.258 3.097) 5.403 6.643 ( 0.554 0.415 1.084) 1.286 6.662 ( 0.345 -1.288 0.022) 1.333 9.560 ( -2.543 0.936 8.954) 9.355 9.587 ( -1.627 -1.281 9.235) 9.465 10.481 ( 3.064 0.807 -6.576) 7.300 10.502 ( 2.776 -0.917 -6.331) 6.974 10.688 ( -2.752 1.817 7.342) 8.049 10.732 ( -2.813 -1.902 8.063) 8.749 11.015 ( -0.095 0.912 1.864) 2.077 11.036 ( -0.405 -0.846 2.030) 2.236 11.448 ( 1.750 4.983 4.504) 6.941 11.558 ( 2.965 -4.335 3.851) 6.512 11.982 ( 2.277 1.966 -3.823) 4.865 12.024 ( 1.677 -1.585 -3.693) 4.355 12.577 ( -2.391 1.060 -2.826) 3.851 12.613 ( -2.037 -2.081 -3.883) 4.854 12.826 ( -0.223 3.495 -5.319) 6.368 12.901 ( 1.330 -2.898 -6.368) 7.122 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -11.819 4.304 8.835) 15.371 1.259 ( -3.884 -8.747 3.173) 10.083 1.411 ( -13.944 4.776 5.744) 15.820 1.511 ( -14.476 -3.572 3.591) 15.336 1.731 ( -15.603 0.881 4.643) 16.303 1.748 ( -12.671 -0.250 5.530) 13.828 1.815 ( -12.822 4.156 7.996) 15.672 1.861 ( -9.934 0.518 7.248) 12.308 2.206 ( -2.663 1.340 4.594) 5.477 2.254 ( -0.966 -2.617 4.210) 5.050 2.592 ( 2.006 0.500 3.904) 4.417 2.628 ( 2.415 -1.131 3.494) 4.396 2.678 ( 2.499 3.424 4.898) 6.478 2.771 ( -2.379 -2.715 4.610) 5.855 2.889 ( -0.632 5.584 8.337) 10.055 2.986 ( -1.982 -1.900 10.658) 11.006 3.020 ( 3.625 -1.155 -2.637) 4.629 3.062 ( -5.389 -2.931 3.695) 7.161 3.182 ( -6.193 2.113 8.405) 10.652 3.253 ( -3.805 -3.053 7.497) 8.944 3.284 ( 2.897 5.257 -0.405) 6.016 3.445 ( 1.827 -6.176 -0.584) 6.467 3.483 ( -1.099 -2.051 4.201) 4.802 3.493 ( -0.470 -1.438 4.341) 4.597 3.592 ( -0.063 2.501 4.833) 5.442 3.632 ( 0.961 0.281 4.975) 5.075 3.749 ( -4.648 1.701 -1.530) 5.181 3.855 ( -1.753 -6.270 -0.765) 6.555 3.976 ( 2.649 0.543 1.723) 3.207 4.022 ( 1.003 -2.804 0.394) 3.004 4.351 ( -2.584 5.022 -0.407) 5.663 4.398 ( -4.965 -0.017 1.335) 5.141 4.600 ( 2.541 3.425 -3.310) 5.398 4.651 ( 3.397 -0.060 -1.954) 3.920 4.725 ( -0.969 2.872 -1.668) 3.460 4.767 ( 3.262 0.636 -3.213) 4.623 4.948 ( 2.328 0.761 -2.367) 3.406 4.976 ( 3.301 1.643 -0.286) 3.698 5.079 ( 0.268 -1.777 -2.297) 2.916 5.125 ( 2.564 -4.981 -0.503) 5.625 5.257 ( 4.326 0.244 -2.828) 5.174 5.290 ( 2.901 -1.756 -2.488) 4.206 5.387 ( -1.915 4.232 -4.441) 6.427 5.463 ( -3.422 -1.932 -4.675) 6.107 5.527 ( 0.011 6.516 -3.186) 7.253 5.580 ( 1.142 -0.326 -0.303) 1.225 5.606 ( 0.526 -1.315 0.110) 1.421 5.723 ( -1.189 -7.635 -0.826) 7.772 6.064 ( -1.067 1.849 1.881) 2.846 6.128 ( -0.559 -2.925 1.048) 3.157 6.266 ( -1.338 4.458 0.932) 4.747 6.361 ( -3.426 -3.139 1.829) 4.994 6.467 ( 6.529 6.948 3.928) 10.312 6.576 ( 4.634 -1.120 3.215) 5.750 6.668 ( 3.356 -1.370 -0.305) 3.638 6.690 ( 2.242 -1.876 0.335) 2.942 9.583 ( -2.692 1.801 8.768) 9.347 9.635 ( -0.978 -2.686 8.954) 9.399 10.495 ( 3.903 0.644 -6.488) 7.599 10.513 ( 3.690 -0.874 -6.082) 7.167 10.708 ( -1.790 2.107 8.279) 8.729 10.762 ( -1.408 -2.503 9.324) 9.756 11.031 ( 0.191 0.782 1.632) 1.819 11.046 ( -0.111 -0.495 1.579) 1.659 11.543 ( 4.324 6.585 4.904) 9.279 11.682 ( 6.556 -5.354 4.588) 9.627 11.992 ( 2.100 1.778 -3.784) 4.678 12.024 ( 1.772 -0.957 -4.115) 4.582 12.484 ( -5.120 0.844 -2.085) 5.592 12.516 ( -4.972 -2.051 -2.954) 6.136 12.739 ( -3.891 4.360 -7.496) 9.505 12.833 ( -2.292 -3.736 -9.408) 10.379 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -11.709 7.505 9.047) 16.591 1.079 ( -20.121 4.482 3.564) 20.920 1.185 ( -13.004 -6.613 2.767) 14.849 1.276 ( -8.620 -9.280 4.458) 13.427 1.486 ( -14.820 1.342 8.168) 16.975 1.545 ( -13.042 -3.772 7.539) 15.529 1.675 ( -12.253 9.219 18.326) 23.896 1.789 ( -8.012 0.196 13.805) 15.963 2.196 ( -3.429 3.216 5.934) 7.571 2.286 ( -0.427 -3.907 5.330) 6.623 2.631 ( 0.518 -1.343 3.485) 3.771 2.652 ( 0.474 -2.239 2.506) 3.394 2.787 ( 2.213 3.908 2.658) 5.218 2.816 ( -0.507 1.749 6.663) 6.907 2.921 ( -2.450 1.529 1.497) 3.253 2.986 ( -2.804 2.657 10.054) 10.771 3.027 ( 0.225 -7.456 -1.566) 7.622 3.050 ( -3.533 -2.019 11.478) 12.178 3.139 ( -3.431 2.222 6.009) 7.268 3.234 ( -2.240 -5.093 4.966) 7.458 3.348 ( 0.616 6.051 2.626) 6.624 3.449 ( -3.122 2.112 2.193) 4.361 3.469 ( -1.646 -3.064 -0.208) 3.484 3.518 ( -0.928 -3.001 3.563) 4.750 3.597 ( -3.418 4.409 0.774) 5.633 3.679 ( -0.175 -2.294 2.174) 3.166 3.734 ( 5.318 1.512 1.334) 5.687 3.841 ( 1.297 -7.849 0.565) 7.976 4.032 ( 0.626 -0.656 -1.214) 1.515 4.034 ( 1.508 -0.556 0.102) 1.611 4.327 ( -1.051 2.601 4.766) 5.531 4.345 ( -2.555 0.443 4.451) 5.152 4.622 ( 3.471 3.906 -4.943) 7.193 4.674 ( -2.633 6.631 -1.926) 7.390 4.703 ( 4.039 -3.227 -3.634) 6.319 4.795 ( 2.668 -2.362 -3.904) 5.286 4.973 ( 1.860 2.663 -1.003) 3.400 5.016 ( 1.743 5.331 -2.260) 6.047 5.057 ( -0.722 -1.734 -0.850) 2.062 5.177 ( 3.047 -7.154 -1.326) 7.888 5.293 ( -1.055 1.369 -3.954) 4.315 5.329 ( 1.831 -1.380 -1.106) 2.546 5.341 ( 2.084 1.891 -3.132) 4.210 5.389 ( 0.268 -1.921 -2.910) 3.497 5.509 ( 0.282 5.812 -2.785) 6.451 5.605 ( 0.848 1.495 1.405) 2.219 5.638 ( 1.048 -2.670 1.344) 3.168 5.704 ( 1.550 -6.665 -0.537) 6.864 6.008 ( -5.151 3.554 0.275) 6.264 6.116 ( -1.949 -4.555 0.893) 5.034 6.253 ( -0.972 0.509 0.547) 1.226 6.300 ( -3.087 -4.980 0.700) 5.901 6.603 ( 2.184 6.945 1.401) 7.414 6.660 ( 6.959 6.473 1.827) 9.678 6.731 ( 2.158 -2.564 -0.522) 3.392 6.795 ( 8.060 -3.502 -0.611) 8.809 9.600 ( -3.255 2.774 9.107) 10.061 9.689 ( -1.049 -4.974 8.554) 9.951 10.518 ( 4.081 0.645 -6.474) 7.680 10.537 ( 3.956 -0.958 -5.932) 7.194 10.749 ( -1.356 2.636 8.815) 9.300 10.829 ( 0.171 -4.621 10.114) 11.121 11.048 ( 0.438 0.676 1.205) 1.450 11.058 ( 0.314 -0.217 1.117) 1.180 11.670 ( 5.605 8.959 2.529) 10.866 11.838 ( 5.819 -6.318 0.698) 8.618 12.008 ( 2.947 1.903 -2.743) 4.453 12.029 ( 2.850 0.293 -3.962) 4.889 12.377 ( -5.063 0.842 0.013) 5.133 12.408 ( -4.258 -2.048 -0.755) 4.785 12.568 ( -7.229 4.215 -8.198) 11.715 12.657 ( -7.676 -3.427 -11.081) 13.908 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -9.203 8.041 13.044) 17.875 0.933 ( -5.666 3.625 11.880) 13.652 1.009 ( -7.584 -1.403 12.856) 14.992 1.218 ( -6.086 -10.531 8.292) 14.721 1.359 ( -4.515 0.701 9.314) 10.374 1.428 ( -6.744 -5.104 10.527) 13.504 1.666 ( -8.010 8.707 24.743) 27.426 1.770 ( -7.081 0.543 16.644) 18.096 2.177 ( -3.454 5.438 6.196) 8.939 2.307 ( -1.187 -5.264 4.212) 6.845 2.677 ( 1.602 -1.562 1.834) 2.893 2.687 ( 0.942 -1.805 -0.959) 2.250 2.796 ( -0.358 1.522 1.016) 1.864 2.818 ( -2.502 1.189 3.153) 4.197 2.901 ( -4.054 -0.294 9.305) 10.154 2.990 ( -4.738 0.214 3.943) 6.168 3.020 ( -3.534 -3.126 8.096) 9.371 3.053 ( -4.736 -2.753 7.257) 9.093 3.151 ( -2.517 3.591 6.595) 7.920 3.261 ( 0.724 -4.297 2.259) 4.908 3.340 ( -3.713 3.917 3.980) 6.707 3.371 ( -4.479 0.971 2.514) 5.227 3.434 ( -0.111 3.667 -2.844) 4.642 3.520 ( -1.865 2.082 5.429) 6.106 3.579 ( 0.722 -1.972 1.004) 2.327 3.690 ( -0.526 -4.223 2.110) 4.750 3.839 ( 4.754 0.730 0.173) 4.813 3.906 ( 3.122 -6.540 2.483) 7.661 4.005 ( -2.057 0.820 -1.320) 2.578 4.033 ( -1.158 -1.831 -1.812) 2.824 4.382 ( 1.129 1.070 7.438) 7.599 4.391 ( 1.788 1.023 7.624) 7.897 4.605 ( -2.814 9.338 -1.961) 9.948 4.652 ( 4.348 3.429 -6.252) 8.352 4.727 ( 2.700 -2.365 -6.353) 7.297 4.797 ( 0.745 -6.051 -3.656) 7.109 5.002 ( 1.613 1.925 -0.626) 2.588 5.005 ( -1.049 3.635 -2.253) 4.403 5.057 ( 1.989 1.574 -0.686) 2.627 5.180 ( 0.057 -4.781 -5.161) 7.036 5.233 ( -1.185 0.955 -3.877) 4.165 5.307 ( -1.184 -3.882 -1.458) 4.312 5.372 ( 2.581 2.163 -1.045) 3.526 5.409 ( 0.495 -0.034 0.143) 0.516 5.496 ( 1.452 3.828 -3.304) 5.261 5.595 ( -2.499 -3.489 0.803) 4.366 5.656 ( 0.435 3.682 -0.447) 3.734 5.780 ( 4.393 -6.890 -1.548) 8.317 5.928 ( -2.787 3.598 1.388) 4.758 6.077 ( -2.109 -9.091 2.434) 9.645 6.228 ( -0.930 1.707 -0.631) 2.043 6.290 ( 0.392 -4.461 1.321) 4.669 6.619 ( -0.119 6.634 0.515) 6.655 6.746 ( 0.141 -4.177 -0.859) 4.267 6.801 ( 6.358 8.348 -5.030) 11.637 6.912 ( 5.639 -2.058 -1.967) 6.317 9.601 ( -4.818 3.088 9.492) 11.084 9.711 ( -4.205 -6.744 7.718) 11.079 10.538 ( 3.642 0.701 -6.495) 7.480 10.559 ( 3.463 -1.019 -6.020) 7.019 10.785 ( -2.476 3.385 8.152) 9.167 10.903 ( -0.929 -7.977 7.657) 11.096 11.063 ( 0.179 0.429 0.790) 0.917 11.076 ( 0.389 -0.698 1.166) 1.414 11.768 ( 5.167 8.429 -2.879) 10.298 11.869 ( 1.202 -2.612 -4.485) 5.328 11.969 ( -4.315 5.142 -8.217) 10.611 12.066 ( -1.753 -2.679 -5.523) 6.384 12.313 ( -0.421 3.745 0.676) 3.829 12.386 ( 1.890 -2.522 0.362) 3.172 12.420 ( -1.729 1.726 0.977) 2.631 12.466 ( -2.586 -1.825 -1.756) 3.619 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 7.781 0.000 18.724) 20.277 1.367 ( -0.439 0.000 19.951) 19.956 1.439 ( 5.578 0.000 12.494) 13.682 1.481 ( -6.103 0.000 15.032) 16.224 1.771 ( 3.913 0.000 11.208) 11.872 1.826 ( 3.055 0.000 14.452) 14.772 2.040 ( -0.078 0.000 11.325) 11.326 2.160 ( -5.191 0.000 2.261) 5.661 2.255 ( 2.136 0.000 13.608) 13.774 2.313 ( -0.790 0.000 -5.637) 5.692 2.566 ( -2.946 0.000 -12.721) 13.058 2.684 ( -1.812 0.000 0.208) 1.824 2.707 ( -3.380 0.000 -2.054) 3.955 2.765 ( -5.279 0.000 1.697) 5.545 2.910 ( -3.093 0.000 5.587) 6.386 2.985 ( -7.185 0.000 -1.420) 7.324 3.083 ( 6.867 0.000 -0.076) 6.868 3.217 ( -3.148 0.000 4.800) 5.740 3.360 ( -8.639 0.000 11.623) 14.482 3.391 ( -1.356 0.000 5.525) 5.689 3.445 ( -4.544 0.000 5.772) 7.346 3.491 ( 1.710 0.000 3.723) 4.097 3.607 ( 1.667 0.000 8.998) 9.151 3.617 ( -2.095 0.000 14.153) 14.308 3.710 ( -5.790 0.000 1.936) 6.105 3.722 ( -0.318 0.000 2.069) 2.094 3.857 ( 1.734 0.000 -1.186) 2.101 3.976 ( -3.322 0.000 5.809) 6.692 4.085 ( -4.373 0.000 4.840) 6.523 4.205 ( -0.734 0.000 4.854) 4.909 4.340 ( -2.933 0.000 -2.096) 3.605 4.478 ( 5.051 0.000 -8.356) 9.764 4.552 ( -0.924 0.000 0.313) 0.976 4.566 ( 3.209 0.000 0.812) 3.310 4.575 ( 3.049 0.000 -5.633) 6.406 4.735 ( -5.452 0.000 -2.218) 5.886 4.900 ( 7.667 0.000 -2.184) 7.972 4.943 ( 3.448 0.000 -8.329) 9.014 4.957 ( -0.346 0.000 -0.489) 0.599 5.124 ( 3.793 0.000 2.346) 4.460 5.159 ( -6.604 0.000 -4.468) 7.973 5.247 ( 1.487 0.000 -0.893) 1.735 5.265 ( -0.732 0.000 -3.464) 3.541 5.394 ( 3.570 0.000 -6.308) 7.248 5.428 ( 0.501 0.000 -1.995) 2.057 5.550 ( -0.264 0.000 -1.170) 1.200 5.690 ( -2.905 0.000 3.410) 4.480 5.752 ( -1.166 0.000 -4.684) 4.826 6.070 ( -0.445 0.000 -3.061) 3.093 6.070 ( 4.874 0.000 2.460) 5.460 6.256 ( -3.377 0.000 0.951) 3.508 6.382 ( 5.072 0.000 -5.911) 7.789 6.499 ( -2.233 0.000 1.723) 2.821 6.501 ( 0.019 0.000 -0.349) 0.349 6.747 ( -1.574 0.000 -2.501) 2.955 6.888 ( -0.480 0.000 -5.687) 5.707 9.764 ( -5.622 0.000 10.058) 11.523 9.871 ( -7.402 0.000 7.920) 10.840 10.366 ( 3.612 0.000 -8.904) 9.609 10.424 ( 3.478 0.000 -8.305) 9.003 10.889 ( -4.026 0.000 6.057) 7.273 11.051 ( -0.521 0.000 0.813) 0.966 11.066 ( -0.553 0.000 0.344) 0.652 11.074 ( -5.804 0.000 0.574) 5.833 11.540 ( -4.310 0.000 2.296) 4.884 11.775 ( 3.810 0.000 -3.962) 5.496 11.788 ( -6.749 0.000 -4.331) 8.019 11.820 ( 4.331 0.000 -4.253) 6.070 12.427 ( 2.630 0.000 3.925) 4.725 12.482 ( 1.003 0.000 2.318) 2.525 12.559 ( 5.429 0.000 0.714) 5.476 12.580 ( 6.373 0.000 0.065) 6.373 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -5.094 0.000 13.047) 14.006 1.560 ( 5.481 0.000 13.762) 14.814 1.586 ( -0.306 0.000 20.357) 20.359 1.661 ( 7.941 0.000 9.132) 12.102 1.943 ( 7.107 0.000 6.674) 9.749 2.018 ( 4.080 0.000 12.309) 12.967 2.063 ( -3.346 0.000 1.553) 3.689 2.160 ( -0.939 0.000 13.186) 13.220 2.235 ( -0.834 0.000 -8.805) 8.845 2.384 ( 4.049 0.000 2.137) 4.578 2.409 ( -3.297 0.000 -10.244) 10.762 2.576 ( -2.302 0.000 -7.319) 7.672 2.671 ( -5.422 0.000 5.519) 7.737 2.746 ( -0.444 0.000 3.864) 3.889 2.839 ( -6.596 0.000 0.691) 6.633 2.879 ( -4.648 0.000 3.700) 5.941 3.179 ( 0.881 0.000 3.096) 3.218 3.238 ( -1.276 0.000 6.811) 6.929 3.337 ( -3.416 0.000 9.339) 9.944 3.345 ( -5.063 0.000 4.101) 6.516 3.382 ( -4.965 0.000 10.899) 11.977 3.552 ( 2.957 0.000 0.370) 2.980 3.601 ( -5.358 0.000 1.132) 5.476 3.661 ( -5.763 0.000 16.079) 17.081 3.726 ( -3.281 0.000 3.892) 5.090 3.728 ( 2.830 0.000 2.894) 4.048 3.857 ( -1.271 0.000 -1.573) 2.022 3.983 ( -2.457 0.000 9.039) 9.367 4.091 ( 1.693 0.000 5.513) 5.767 4.212 ( -2.047 0.000 3.635) 4.172 4.273 ( -1.903 0.000 -3.081) 3.621 4.477 ( 1.839 0.000 -6.179) 6.447 4.507 ( -3.941 0.000 -1.467) 4.206 4.567 ( -2.231 0.000 -5.581) 6.010 4.640 ( 7.360 0.000 -4.162) 8.455 4.655 ( 0.855 0.000 2.636) 2.772 4.894 ( -5.018 0.000 -2.519) 5.615 4.966 ( 3.938 0.000 -6.572) 7.661 5.006 ( -4.755 0.000 -5.768) 7.475 5.039 ( 5.542 0.000 2.067) 5.914 5.222 ( 5.301 0.000 2.408) 5.822 5.234 ( 0.895 0.000 -4.124) 4.220 5.305 ( 4.089 0.000 -2.016) 4.559 5.390 ( 1.671 0.000 -3.091) 3.514 5.424 ( 2.509 0.000 -4.671) 5.303 5.544 ( 0.123 0.000 -2.807) 2.810 5.664 ( -1.653 0.000 2.307) 2.838 5.733 ( 1.218 0.000 0.078) 1.221 6.039 ( -0.452 0.000 -2.970) 3.004 6.135 ( 1.605 0.000 -1.191) 1.999 6.183 ( -4.753 0.000 -0.967) 4.851 6.412 ( 1.496 0.000 -2.289) 2.734 6.463 ( -2.776 0.000 0.990) 2.948 6.515 ( 0.541 0.000 2.253) 2.317 6.695 ( -2.088 0.000 -0.829) 2.246 6.807 ( -2.809 0.000 -5.130) 5.849 9.741 ( -5.460 0.000 10.296) 11.654 9.804 ( -7.190 0.000 10.243) 12.515 10.354 ( 2.724 0.000 -8.786) 9.199 10.415 ( 2.608 0.000 -8.019) 8.432 10.860 ( -4.325 0.000 6.447) 7.763 10.985 ( -5.425 0.000 3.773) 6.608 11.039 ( -1.053 0.000 0.386) 1.121 11.069 ( -0.188 0.000 1.935) 1.944 11.481 ( -4.377 0.000 3.702) 5.733 11.661 ( -4.321 0.000 -1.745) 4.660 11.808 ( 3.568 0.000 -5.088) 6.215 11.885 ( 5.254 0.000 -3.255) 6.181 12.499 ( 2.716 0.000 1.528) 3.116 12.525 ( 2.548 0.000 -0.120) 2.551 12.654 ( 4.981 0.000 -1.584) 5.227 12.693 ( 6.657 0.000 -3.058) 7.326 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -4.765 0.000 10.446) 11.482 1.690 ( -0.279 0.000 7.884) 7.889 1.694 ( -5.021 0.000 17.024) 17.749 1.831 ( 3.034 0.000 6.685) 7.341 2.025 ( -2.083 0.000 0.152) 2.089 2.048 ( 1.684 0.000 -9.767) 9.911 2.116 ( 1.724 0.000 -1.780) 2.479 2.198 ( -3.481 0.000 6.544) 7.412 2.208 ( 3.717 0.000 2.726) 4.609 2.355 ( 0.526 0.000 5.323) 5.349 2.485 ( 3.685 0.000 -1.403) 3.943 2.501 ( 0.021 0.000 0.046) 0.051 2.602 ( -5.258 0.000 3.081) 6.094 2.750 ( -2.758 0.000 -0.558) 2.814 2.762 ( -1.215 0.000 5.353) 5.489 2.857 ( -1.127 0.000 5.772) 5.881 3.183 ( -1.192 0.000 0.887) 1.486 3.190 ( -6.680 0.000 6.219) 9.126 3.337 ( -4.605 0.000 14.248) 14.974 3.389 ( 3.029 0.000 4.979) 5.828 3.478 ( 1.266 0.000 8.880) 8.970 3.539 ( -1.773 0.000 1.676) 2.440 3.558 ( -3.061 0.000 -0.264) 3.073 3.652 ( -6.371 0.000 9.547) 11.478 3.699 ( -1.016 0.000 3.771) 3.905 3.770 ( -1.986 0.000 7.094) 7.367 3.796 ( -3.687 0.000 -0.470) 3.717 4.016 ( -2.103 0.000 8.985) 9.228 4.177 ( -4.596 0.000 3.352) 5.688 4.178 ( -0.102 0.000 4.430) 4.431 4.230 ( 1.352 0.000 -4.334) 4.540 4.411 ( -3.430 0.000 0.601) 3.482 4.490 ( 3.241 0.000 -2.219) 3.927 4.535 ( 1.474 0.000 -3.370) 3.679 4.687 ( 0.944 0.000 -0.418) 1.032 4.728 ( 1.395 0.000 -2.796) 3.125 4.775 ( -0.620 0.000 -4.112) 4.158 4.905 ( -0.533 0.000 -7.058) 7.078 4.966 ( 1.506 0.000 -5.372) 5.579 5.119 ( 1.657 0.000 2.757) 3.217 5.226 ( 1.538 0.000 -4.386) 4.648 5.251 ( -1.550 0.000 -6.282) 6.471 5.397 ( 6.196 0.000 2.779) 6.791 5.433 ( 2.019 0.000 1.035) 2.269 5.441 ( 3.527 0.000 -5.940) 6.908 5.517 ( 0.436 0.000 -4.029) 4.052 5.692 ( 2.538 0.000 1.943) 3.196 5.771 ( 0.996 0.000 2.314) 2.519 6.009 ( 0.013 0.000 -2.820) 2.820 6.072 ( -4.389 0.000 -3.153) 5.404 6.130 ( 0.076 0.000 -2.087) 2.088 6.401 ( -1.229 0.000 -0.261) 1.257 6.424 ( -1.924 0.000 0.866) 2.110 6.545 ( 0.004 0.000 3.090) 3.090 6.667 ( -1.456 0.000 1.830) 2.339 6.729 ( -2.079 0.000 -2.480) 3.236 9.730 ( -4.555 0.000 10.279) 11.242 9.774 ( -5.286 0.000 11.075) 12.272 10.332 ( 2.435 0.000 -8.411) 8.756 10.394 ( 2.040 0.000 -7.774) 8.037 10.835 ( -4.052 0.000 6.949) 8.044 10.934 ( -4.244 0.000 5.801) 7.187 11.027 ( -0.743 0.000 0.922) 1.184 11.084 ( -0.330 0.000 2.600) 2.621 11.447 ( -2.856 0.000 4.984) 5.744 11.599 ( -1.801 0.000 0.443) 1.855 11.828 ( 3.124 0.000 -4.974) 5.874 11.945 ( 3.597 0.000 -2.884) 4.611 12.546 ( 2.041 0.000 -0.861) 2.215 12.565 ( 2.899 0.000 -3.122) 4.261 12.713 ( 3.366 0.000 -3.075) 4.559 12.770 ( 5.127 0.000 -5.060) 7.203 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -4.072 0.000 8.264) 9.213 1.663 ( -11.015 0.000 13.039) 17.069 1.691 ( -4.397 0.000 3.856) 5.848 1.879 ( -2.296 0.000 4.455) 5.012 1.970 ( 0.159 0.000 -8.313) 8.315 1.986 ( -2.500 0.000 2.150) 3.297 2.103 ( 0.093 0.000 -3.460) 3.462 2.179 ( -3.724 0.000 5.082) 6.300 2.327 ( 5.155 0.000 1.811) 5.464 2.391 ( -4.013 0.000 -4.175) 5.791 2.421 ( -0.713 0.000 6.639) 6.677 2.537 ( 0.951 0.000 -4.377) 4.479 2.644 ( -0.138 0.000 12.723) 12.723 2.724 ( 0.453 0.000 -0.483) 0.662 2.809 ( 0.920 0.000 7.977) 8.030 2.924 ( 1.913 0.000 6.340) 6.622 3.161 ( 0.275 0.000 -3.953) 3.963 3.167 ( -1.009 0.000 7.743) 7.809 3.356 ( -6.100 0.000 12.081) 13.534 3.424 ( -2.569 0.000 2.261) 3.423 3.483 ( -5.989 0.000 9.619) 11.331 3.546 ( 0.769 0.000 4.186) 4.256 3.578 ( 2.093 0.000 0.081) 2.095 3.598 ( -5.144 0.000 5.685) 7.667 3.712 ( -2.201 0.000 5.018) 5.480 3.741 ( -1.792 0.000 1.202) 2.158 3.769 ( -6.427 0.000 11.877) 13.504 4.035 ( -1.645 0.000 4.411) 4.708 4.130 ( -3.912 0.000 5.742) 6.948 4.143 ( -0.286 0.000 -6.520) 6.526 4.221 ( -3.702 0.000 4.221) 5.614 4.424 ( 3.594 0.000 -0.823) 3.687 4.525 ( 1.084 0.000 -1.517) 1.864 4.537 ( -0.143 0.000 -0.778) 0.791 4.657 ( -1.299 0.000 -3.000) 3.269 4.686 ( 1.068 0.000 -3.312) 3.480 4.838 ( 5.342 0.000 -1.523) 5.555 4.883 ( 4.078 0.000 -5.622) 6.946 4.950 ( 0.542 0.000 -2.870) 2.921 5.141 ( -1.801 0.000 1.284) 2.212 5.190 ( 1.482 0.000 -5.581) 5.775 5.213 ( 0.985 0.000 -4.787) 4.887 5.370 ( -4.937 0.000 -0.898) 5.018 5.435 ( 0.758 0.000 -7.021) 7.062 5.512 ( 2.905 0.000 -3.949) 4.902 5.536 ( 2.521 0.000 -0.429) 2.557 5.726 ( -0.693 0.000 0.575) 0.901 5.793 ( -0.594 0.000 2.430) 2.502 5.990 ( 2.023 0.000 -2.285) 3.052 6.067 ( 4.800 0.000 0.127) 4.801 6.133 ( 1.710 0.000 -0.674) 1.838 6.373 ( -2.131 0.000 0.970) 2.342 6.413 ( -0.299 0.000 1.900) 1.923 6.562 ( -0.184 0.000 2.555) 2.561 6.666 ( -0.667 0.000 2.608) 2.692 6.686 ( -1.401 0.000 -1.336) 1.935 9.734 ( -3.792 0.000 9.766) 10.476 9.780 ( -3.608 0.000 10.808) 11.394 10.315 ( 2.933 0.000 -8.068) 8.585 10.372 ( 2.368 0.000 -7.658) 8.016 10.823 ( -3.389 0.000 7.387) 8.127 10.920 ( -2.924 0.000 7.301) 7.865 11.027 ( -0.204 0.000 1.189) 1.206 11.094 ( -0.866 0.000 2.501) 2.647 11.457 ( -0.911 0.000 6.031) 6.099 11.606 ( 1.318 0.000 2.509) 2.834 11.847 ( 3.021 0.000 -4.637) 5.534 11.968 ( 1.576 0.000 -3.150) 3.522 12.556 ( 0.209 0.000 -1.984) 1.995 12.577 ( 1.681 0.000 -4.583) 4.881 12.724 ( 0.845 0.000 -4.360) 4.441 12.800 ( 3.021 0.000 -6.584) 7.244 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -3.742 0.000 6.988) 7.927 1.519 ( -13.397 0.000 10.465) 17.000 1.604 ( -7.526 0.000 3.023) 8.110 1.821 ( -9.806 0.000 4.787) 10.912 1.921 ( -2.875 0.000 -1.620) 3.299 1.956 ( -2.559 0.000 2.598) 3.646 2.032 ( -7.051 0.000 1.755) 7.266 2.119 ( -7.711 0.000 6.667) 10.194 2.326 ( 0.251 0.000 -2.204) 2.218 2.389 ( -3.792 0.000 4.000) 5.512 2.481 ( 10.441 0.000 -3.101) 10.892 2.545 ( 2.810 0.000 -2.339) 3.656 2.703 ( -2.198 0.000 10.224) 10.458 2.773 ( 4.424 0.000 -0.496) 4.452 2.876 ( -2.726 0.000 8.146) 8.590 2.988 ( -0.373 0.000 6.772) 6.782 3.160 ( 3.109 0.000 -3.914) 4.998 3.253 ( 2.186 0.000 6.773) 7.117 3.288 ( -7.586 0.000 6.636) 10.079 3.385 ( -4.349 0.000 3.889) 5.834 3.437 ( -6.814 0.000 8.810) 11.137 3.577 ( -2.483 0.000 6.849) 7.285 3.589 ( 0.610 0.000 4.609) 4.649 3.601 ( -0.203 0.000 2.325) 2.334 3.703 ( -2.698 0.000 5.883) 6.472 3.732 ( -8.045 0.000 13.816) 15.987 3.754 ( 0.944 0.000 -0.332) 1.000 4.039 ( -0.415 0.000 1.820) 1.867 4.077 ( -2.596 0.000 -3.447) 4.316 4.108 ( -3.711 0.000 5.001) 6.228 4.192 ( -1.122 0.000 2.936) 3.144 4.482 ( 2.920 0.000 -4.925) 5.725 4.499 ( -1.058 0.000 -3.373) 3.535 4.519 ( -0.585 0.000 3.528) 3.576 4.642 ( 1.963 0.000 -3.662) 4.154 4.684 ( 2.178 0.000 -5.394) 5.817 4.912 ( 2.750 0.000 0.774) 2.857 4.937 ( -1.142 0.000 -0.051) 1.143 4.982 ( 8.189 0.000 -1.191) 8.275 5.111 ( -0.714 0.000 -0.840) 1.102 5.192 ( 1.642 0.000 -2.975) 3.398 5.203 ( 2.708 0.000 -3.786) 4.655 5.265 ( -2.661 0.000 -5.039) 5.699 5.379 ( 0.293 0.000 -7.126) 7.132 5.480 ( -3.975 0.000 -6.393) 7.528 5.548 ( 3.562 0.000 -2.996) 4.654 5.718 ( -1.421 0.000 3.517) 3.793 5.794 ( -1.114 0.000 1.826) 2.139 6.064 ( 5.305 0.000 -0.389) 5.319 6.157 ( -0.229 0.000 -0.456) 0.510 6.171 ( 4.775 0.000 1.309) 4.951 6.338 ( -1.430 0.000 0.072) 1.432 6.443 ( 1.165 0.000 3.284) 3.485 6.600 ( 2.124 0.000 2.948) 3.633 6.643 ( -1.480 0.000 -2.819) 3.184 6.683 ( 0.772 0.000 1.555) 1.736 9.743 ( -3.423 0.000 9.364) 9.970 9.810 ( -2.147 0.000 9.936) 10.166 10.313 ( 3.796 0.000 -8.096) 8.942 10.365 ( 3.473 0.000 -7.572) 8.330 10.830 ( -2.367 0.000 7.692) 8.048 10.942 ( -1.361 0.000 8.254) 8.365 11.036 ( 0.180 0.000 1.065) 1.080 11.091 ( -1.251 0.000 1.935) 2.304 11.504 ( 0.560 0.000 6.241) 6.266 11.689 ( 4.880 0.000 3.871) 6.229 11.864 ( 2.744 0.000 -4.708) 5.449 11.956 ( 0.431 0.000 -4.370) 4.392 12.525 ( -2.098 0.000 -1.233) 2.434 12.554 ( -0.607 0.000 -3.458) 3.511 12.669 ( -2.680 0.000 -5.545) 6.158 12.771 ( 0.025 0.000 -8.080) 8.080 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -13.410 0.000 11.865) 17.906 1.442 ( -14.839 0.000 4.069) 15.386 1.450 ( -2.543 0.000 6.735) 7.199 1.596 ( -15.584 0.000 5.038) 16.378 1.799 ( -10.106 0.000 2.823) 10.493 1.904 ( -9.644 0.000 6.232) 11.482 1.934 ( -3.397 0.000 5.828) 6.746 2.022 ( -7.473 0.000 6.039) 9.608 2.353 ( -0.179 0.000 5.650) 5.653 2.368 ( -1.159 0.000 2.834) 3.061 2.602 ( 4.408 0.000 0.186) 4.412 2.657 ( 8.952 0.000 -0.605) 8.972 2.752 ( 0.263 0.000 6.269) 6.274 2.821 ( 2.555 0.000 -5.881) 6.412 2.856 ( -3.456 0.000 5.313) 6.338 3.067 ( 3.031 0.000 9.114) 9.605 3.095 ( -4.173 0.000 -6.018) 7.323 3.285 ( -5.503 0.000 8.023) 9.729 3.288 ( -4.017 0.000 9.928) 10.710 3.352 ( -0.520 0.000 0.426) 0.672 3.404 ( -1.374 0.000 7.474) 7.599 3.592 ( -2.794 0.000 6.215) 6.814 3.614 ( -3.428 0.000 -0.758) 3.511 3.616 ( -2.152 0.000 7.273) 7.585 3.703 ( -0.349 0.000 -0.712) 0.793 3.706 ( -5.665 0.000 12.395) 13.628 3.739 ( -0.888 0.000 5.603) 5.673 4.045 ( -0.251 0.000 0.904) 0.938 4.055 ( 0.519 0.000 3.773) 3.808 4.073 ( -3.363 0.000 4.237) 5.410 4.229 ( 2.747 0.000 1.597) 3.177 4.452 ( -2.828 0.000 3.298) 4.344 4.457 ( 0.251 0.000 -4.610) 4.616 4.590 ( 6.149 0.000 -3.641) 7.145 4.660 ( 2.837 0.000 -4.047) 4.943 4.661 ( -0.511 0.000 -5.352) 5.376 4.902 ( -1.617 0.000 -1.299) 2.075 4.927 ( -1.423 0.000 0.441) 1.490 5.099 ( -1.066 0.000 1.032) 1.484 5.130 ( 8.410 0.000 0.182) 8.412 5.207 ( 2.871 0.000 -3.496) 4.523 5.210 ( 0.671 0.000 -5.216) 5.258 5.251 ( 3.391 0.000 -4.625) 5.736 5.349 ( -2.173 0.000 -9.454) 9.701 5.380 ( 4.385 0.000 -0.775) 4.453 5.595 ( 4.210 0.000 -2.078) 4.695 5.720 ( -2.257 0.000 4.966) 5.454 5.778 ( -1.632 0.000 0.378) 1.675 6.080 ( -6.452 0.000 -1.239) 6.570 6.132 ( 2.589 0.000 -1.664) 3.078 6.254 ( 2.532 0.000 2.431) 3.510 6.350 ( 3.376 0.000 -3.297) 4.719 6.492 ( 0.731 0.000 3.581) 3.655 6.558 ( -3.820 0.000 -2.575) 4.607 6.709 ( 6.159 0.000 1.045) 6.247 6.719 ( 2.391 0.000 0.001) 2.391 9.757 ( -3.157 0.000 9.572) 10.079 9.858 ( -0.769 0.000 8.683) 8.717 10.325 ( 4.517 0.000 -8.397) 9.534 10.379 ( 4.459 0.000 -7.628) 8.836 10.857 ( -1.410 0.000 7.627) 7.756 11.001 ( 0.688 0.000 8.058) 8.088 11.048 ( 0.207 0.000 0.864) 0.889 11.081 ( -1.087 0.000 1.242) 1.650 11.566 ( 0.927 0.000 4.915) 5.002 11.838 ( 7.663 0.000 3.469) 8.412 11.864 ( 1.362 0.000 -5.612) 5.775 11.920 ( 0.330 0.000 -6.037) 6.046 12.469 ( -3.554 0.000 1.263) 3.772 12.508 ( -2.377 0.000 -0.473) 2.423 12.538 ( -6.253 0.000 -5.847) 8.560 12.669 ( -3.863 0.000 -8.160) 9.028 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -17.947 0.000 11.095) 21.100 1.211 ( -9.489 0.000 16.052) 18.647 1.389 ( -12.376 0.000 7.974) 14.722 1.472 ( -1.362 0.000 8.104) 8.217 1.646 ( -10.255 0.000 8.722) 13.462 1.792 ( -8.883 0.000 9.523) 13.023 1.948 ( -2.276 0.000 11.251) 11.479 1.969 ( -2.996 0.000 6.478) 7.137 2.356 ( -6.278 0.000 9.321) 11.238 2.369 ( -0.741 0.000 0.961) 1.214 2.695 ( 3.050 0.000 1.905) 3.596 2.782 ( -0.887 0.000 -1.604) 1.833 2.792 ( -0.669 0.000 3.940) 3.997 2.796 ( 5.641 0.000 -2.847) 6.318 2.850 ( 0.394 0.000 -0.541) 0.669 3.005 ( -1.372 0.000 -2.222) 2.612 3.213 ( 3.207 0.000 8.288) 8.887 3.233 ( -4.960 0.000 4.736) 6.858 3.254 ( -2.881 0.000 5.110) 5.866 3.325 ( -2.068 0.000 -1.299) 2.442 3.477 ( -1.062 0.000 10.594) 10.647 3.478 ( -5.974 0.000 -1.776) 6.233 3.561 ( -6.305 0.000 8.395) 10.499 3.616 ( -5.418 0.000 10.064) 11.429 3.719 ( 0.379 0.000 1.344) 1.397 3.730 ( -1.268 0.000 8.268) 8.364 3.789 ( 1.143 0.000 3.779) 3.948 4.039 ( -1.345 0.000 1.008) 1.681 4.081 ( 0.274 0.000 5.603) 5.609 4.107 ( 0.493 0.000 4.310) 4.338 4.311 ( 4.066 0.000 2.684) 4.872 4.439 ( 2.562 0.000 -6.292) 6.794 4.460 ( -0.594 0.000 7.092) 7.117 4.581 ( -3.737 0.000 -2.728) 4.627 4.656 ( 0.460 0.000 -5.718) 5.736 4.674 ( 7.126 0.000 -6.890) 9.912 4.870 ( 0.592 0.000 -4.659) 4.696 4.910 ( 0.213 0.000 0.213) 0.302 5.070 ( -2.535 0.000 -0.347) 2.559 5.157 ( -2.349 0.000 -4.807) 5.351 5.235 ( 2.409 0.000 -3.084) 3.913 5.249 ( 2.112 0.000 -5.209) 5.621 5.291 ( 6.985 0.000 2.089) 7.290 5.303 ( 5.058 0.000 -8.207) 9.640 5.434 ( -0.755 0.000 0.756) 1.069 5.656 ( -0.034 0.000 -0.895) 0.896 5.712 ( -2.697 0.000 5.040) 5.717 5.772 ( 4.074 0.000 -0.932) 4.179 5.958 ( -4.508 0.000 -1.005) 4.619 6.139 ( 0.240 0.000 -2.727) 2.737 6.298 ( 0.037 0.000 2.527) 2.527 6.352 ( 2.000 0.000 -10.109) 10.305 6.501 ( 0.271 0.000 -0.923) 0.962 6.519 ( -0.693 0.000 2.924) 3.005 6.762 ( 2.374 0.000 -1.165) 2.645 6.826 ( 5.663 0.000 -0.305) 5.671 9.776 ( -3.428 0.000 9.890) 10.468 9.911 ( -0.697 0.000 7.087) 7.122 10.344 ( 4.813 0.000 -8.630) 9.882 10.402 ( 4.628 0.000 -8.004) 9.246 10.891 ( -1.462 0.000 7.002) 7.154 11.054 ( -0.352 0.000 0.862) 0.931 11.075 ( -0.292 0.000 0.457) 0.542 11.091 ( 2.895 0.000 5.196) 5.948 11.603 ( -0.374 0.000 2.683) 2.709 11.823 ( -0.102 0.000 -6.717) 6.718 11.867 ( -0.841 0.000 -6.944) 6.995 11.993 ( 6.182 0.000 -0.920) 6.250 12.366 ( -6.993 0.000 -1.253) 7.104 12.437 ( -1.942 0.000 2.995) 3.569 12.469 ( -2.393 0.000 2.031) 3.139 12.529 ( -4.755 0.000 -3.409) 5.850 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -3.374 0.000 19.169) 19.464 1.233 ( -3.516 0.000 19.414) 19.730 1.311 ( -3.802 0.000 12.537) 13.101 1.501 ( -5.895 0.000 11.721) 13.120 1.619 ( -0.331 0.000 13.342) 13.347 1.743 ( -4.810 0.000 11.445) 12.415 1.973 ( -1.445 0.000 8.304) 8.429 2.067 ( 2.478 0.000 13.666) 13.889 2.282 ( -8.914 0.000 8.525) 12.335 2.353 ( -0.622 0.000 -1.767) 1.873 2.698 ( -2.662 0.000 2.225) 3.470 2.700 ( -1.583 0.000 -9.936) 10.062 2.789 ( -2.424 0.000 0.425) 2.461 2.852 ( -1.337 0.000 -2.483) 2.821 2.884 ( 1.272 0.000 4.738) 4.905 2.984 ( 2.230 0.000 -0.764) 2.357 3.128 ( -7.642 0.000 0.840) 7.688 3.268 ( -3.763 0.000 0.707) 3.829 3.323 ( 2.071 0.000 6.139) 6.479 3.333 ( 5.185 0.000 6.286) 8.149 3.435 ( 0.190 0.000 3.863) 3.868 3.464 ( -6.822 0.000 6.609) 9.499 3.559 ( -4.064 0.000 15.052) 15.591 3.586 ( -6.076 0.000 10.049) 11.743 3.725 ( -0.595 0.000 0.815) 1.009 3.758 ( -2.402 0.000 5.581) 6.076 3.830 ( 1.319 0.000 0.919) 1.608 4.008 ( -3.251 0.000 2.383) 4.031 4.121 ( -2.903 0.000 4.729) 5.549 4.153 ( 1.511 0.000 6.135) 6.319 4.386 ( 0.646 0.000 0.464) 0.795 4.449 ( 4.617 0.000 -8.096) 9.320 4.515 ( -0.645 0.000 0.533) 0.836 4.529 ( 1.130 0.000 6.153) 6.256 4.602 ( -0.091 0.000 -6.530) 6.531 4.741 ( 5.212 0.000 -4.964) 7.198 4.849 ( 2.604 0.000 -6.667) 7.157 4.936 ( 1.850 0.000 0.253) 1.867 5.011 ( -0.873 0.000 -8.394) 8.439 5.082 ( -2.122 0.000 1.064) 2.374 5.244 ( 0.855 0.000 -2.038) 2.210 5.246 ( 1.326 0.000 -4.702) 4.885 5.349 ( -5.270 0.000 -1.011) 5.366 5.354 ( 5.878 0.000 -6.628) 8.859 5.408 ( 1.425 0.000 1.710) 2.226 5.598 ( -2.643 0.000 -2.229) 3.457 5.705 ( -2.319 0.000 4.636) 5.184 5.820 ( -0.007 0.000 -5.649) 5.649 5.949 ( 3.616 0.000 4.002) 5.394 6.107 ( -0.777 0.000 -3.181) 3.274 6.296 ( -2.059 0.000 1.866) 2.779 6.334 ( 5.587 0.000 -9.279) 10.831 6.509 ( 0.860 0.000 -2.206) 2.368 6.518 ( -1.512 0.000 2.253) 2.713 6.777 ( 0.519 0.000 -2.127) 2.190 6.898 ( 3.230 0.000 -3.089) 4.469 9.781 ( -4.636 0.000 9.940) 10.968 9.925 ( -3.880 0.000 6.225) 7.336 10.362 ( 4.475 0.000 -8.798) 9.871 10.419 ( 4.191 0.000 -8.342) 9.335 10.905 ( -2.808 0.000 6.227) 6.831 11.052 ( -0.473 0.000 0.851) 0.974 11.073 ( -0.216 0.000 0.026) 0.217 11.146 ( -0.489 0.000 -0.222) 0.537 11.592 ( -2.620 0.000 1.584) 3.061 11.766 ( -0.106 0.000 -4.951) 4.952 11.808 ( 1.013 0.000 -5.392) 5.486 11.959 ( -5.566 0.000 -6.751) 8.750 12.343 ( 2.081 0.000 4.737) 5.174 12.457 ( -0.592 0.000 2.627) 2.693 12.464 ( 2.161 0.000 3.473) 4.090 12.491 ( 1.231 0.000 1.929) 2.288 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 5.257 1.029 17.399) 18.205 1.338 ( 2.518 -2.987 15.002) 15.502 1.489 ( 1.816 3.313 18.357) 18.742 1.509 ( -3.504 1.526 16.418) 16.857 1.730 ( 3.336 -2.461 11.695) 12.409 1.745 ( 3.826 -4.280 13.809) 14.955 2.094 ( -0.155 3.887 10.160) 10.879 2.184 ( -1.659 -3.890 9.059) 9.998 2.252 ( -1.445 5.870 -0.394) 6.058 2.346 ( -2.703 -0.815 -2.419) 3.718 2.566 ( -0.285 1.642 -7.980) 8.152 2.636 ( -0.995 -3.454 -4.515) 5.771 2.726 ( -2.126 1.658 -0.823) 2.819 2.766 ( -3.362 -1.288 0.325) 3.615 2.947 ( -4.340 3.308 4.428) 7.027 3.001 ( -7.612 -0.416 2.911) 8.160 3.112 ( 0.534 4.785 4.453) 6.558 3.244 ( -1.547 -2.267 7.379) 7.873 3.310 ( -0.896 -2.225 6.646) 7.066 3.374 ( -3.582 -2.057 7.842) 8.863 3.430 ( -1.856 0.201 4.975) 5.314 3.468 ( -3.379 -0.763 6.063) 6.983 3.598 ( -2.855 0.835 8.404) 8.915 3.649 ( -1.508 0.152 5.890) 6.082 3.699 ( -1.522 0.912 9.106) 9.278 3.740 ( -2.921 0.540 1.092) 3.165 3.854 ( 1.307 1.011 -1.233) 2.062 3.958 ( -3.216 -8.132 0.671) 8.770 3.985 ( -2.355 0.606 5.458) 5.976 4.052 ( 0.602 -6.340 3.254) 7.152 4.465 ( -1.631 5.157 -3.702) 6.555 4.525 ( 2.408 1.109 -3.853) 4.677 4.545 ( 1.618 0.615 -4.545) 4.864 4.581 ( 3.210 -0.313 -5.739) 6.583 4.651 ( 1.343 5.864 4.464) 7.491 4.732 ( -3.829 -1.027 0.448) 3.989 4.870 ( 4.005 -0.355 -2.815) 4.908 4.903 ( 1.972 -2.552 -6.737) 7.469 5.086 ( -1.233 6.302 -2.253) 6.805 5.137 ( 3.287 1.657 1.689) 4.050 5.150 ( -0.357 -0.398 -1.330) 1.434 5.214 ( -1.786 -2.291 -0.358) 2.926 5.305 ( -1.022 2.799 -4.284) 5.219 5.389 ( 1.955 -2.903 -4.505) 5.705 5.464 ( 2.015 4.359 -1.948) 5.182 5.538 ( -1.497 -0.202 -2.978) 3.339 5.589 ( -0.246 -3.471 -0.863) 3.585 5.672 ( 0.997 -8.807 -4.407) 9.898 6.026 ( 0.350 3.000 2.184) 3.727 6.127 ( -1.455 -5.595 0.865) 5.845 6.227 ( 2.801 5.499 1.196) 6.286 6.340 ( 2.186 -4.693 0.363) 5.190 6.599 ( -1.145 5.226 -1.347) 5.517 6.618 ( -0.921 8.235 -4.006) 9.204 6.717 ( -1.340 -1.761 -2.868) 3.623 6.821 ( -0.776 -5.994 -5.986) 8.507 9.782 ( -5.938 1.694 9.916) 11.681 9.834 ( -6.807 -2.748 8.953) 11.578 10.382 ( 3.553 1.228 -8.715) 9.491 10.410 ( 3.489 -1.156 -8.415) 9.183 10.915 ( -3.939 2.383 5.519) 7.187 10.988 ( -3.751 -4.097 3.666) 6.656 11.067 ( -0.888 0.720 0.079) 1.146 11.081 ( -1.524 -0.402 0.413) 1.629 11.631 ( -5.367 6.256 -1.167) 8.325 11.743 ( -4.970 -3.458 -3.702) 7.097 11.791 ( 2.391 0.680 -4.106) 4.800 11.810 ( 4.078 -0.857 -4.242) 5.946 12.441 ( 2.241 1.163 3.436) 4.264 12.469 ( 1.433 -1.147 2.601) 3.184 12.563 ( 5.633 0.412 0.598) 5.680 12.574 ( 6.105 -0.500 0.261) 6.131 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -3.245 0.888 14.768) 15.146 1.490 ( 0.683 -3.512 16.158) 16.550 1.635 ( 3.180 3.150 12.357) 13.143 1.686 ( 4.795 -0.334 12.963) 13.826 1.914 ( 7.090 -0.612 8.962) 11.444 1.950 ( 6.341 -3.261 10.199) 12.444 2.134 ( -4.759 3.576 3.911) 7.123 2.172 ( -2.776 0.195 9.595) 9.990 2.245 ( 0.497 1.164 -7.294) 7.403 2.303 ( 1.629 -3.958 -3.525) 5.545 2.477 ( -1.250 3.290 -6.853) 7.704 2.543 ( -1.810 -2.683 -7.349) 8.030 2.727 ( -1.351 1.931 3.761) 4.438 2.735 ( -1.468 0.100 2.896) 3.248 2.892 ( -5.148 1.467 5.120) 7.407 2.897 ( -5.838 2.351 3.051) 6.994 3.166 ( -0.334 3.983 5.871) 7.102 3.275 ( -2.423 1.011 9.952) 10.292 3.296 ( -7.235 -2.671 8.625) 11.571 3.367 ( -0.230 -4.569 2.945) 5.440 3.428 ( -3.364 3.188 6.516) 7.996 3.475 ( -2.690 -2.032 7.366) 8.101 3.570 ( -3.742 -0.417 4.729) 6.045 3.664 ( -2.325 -4.458 2.542) 5.634 3.716 ( 1.949 3.870 -0.506) 4.363 3.750 ( -2.649 2.644 11.326) 11.929 3.851 ( -3.437 -1.110 3.486) 5.020 3.914 ( -1.166 -7.538 2.292) 7.965 4.007 ( -0.717 -0.038 5.992) 6.035 4.087 ( 0.795 -6.614 1.830) 6.908 4.410 ( -1.131 6.459 -3.459) 7.414 4.505 ( 0.332 -2.237 -4.668) 5.186 4.533 ( -0.304 4.248 -5.360) 6.846 4.607 ( 0.301 -1.805 -3.628) 4.064 4.650 ( 1.666 5.027 -1.999) 5.660 4.701 ( 2.330 1.591 0.760) 2.922 4.901 ( -1.485 0.042 -1.427) 2.059 4.929 ( -0.821 -1.761 1.859) 2.689 5.032 ( -0.142 1.478 -5.176) 5.385 5.050 ( -1.272 0.136 -3.918) 4.122 5.226 ( 2.910 0.746 -0.059) 3.005 5.266 ( 1.983 -1.973 -1.777) 3.314 5.282 ( 3.649 3.367 -0.238) 4.970 5.380 ( 1.372 -2.764 -3.134) 4.398 5.473 ( 2.970 4.569 -4.604) 7.134 5.531 ( 1.950 -0.811 -2.265) 3.096 5.579 ( 0.718 -1.565 -1.748) 2.454 5.683 ( 2.320 -7.627 -1.623) 8.135 6.029 ( -0.971 2.348 1.031) 2.742 6.097 ( -2.029 -3.147 0.119) 3.746 6.263 ( -0.473 4.844 0.038) 4.867 6.359 ( -0.436 -3.764 -0.658) 3.846 6.562 ( -1.489 5.208 -1.353) 5.583 6.575 ( -1.710 5.470 0.096) 5.732 6.668 ( -1.475 -1.978 -1.567) 2.923 6.743 ( -2.336 -5.554 -4.459) 7.496 9.753 ( -5.754 1.085 10.418) 11.951 9.784 ( -6.600 -1.552 10.420) 12.431 10.370 ( 2.685 1.303 -8.594) 9.098 10.400 ( 2.630 -1.244 -8.208) 8.708 10.884 ( -4.289 2.096 6.075) 7.726 10.943 ( -4.573 -2.982 4.956) 7.374 11.050 ( -1.083 0.793 0.619) 1.478 11.066 ( -0.834 -0.501 1.334) 1.651 11.537 ( -4.662 4.293 1.691) 6.560 11.625 ( -4.541 -3.186 -0.885) 5.618 11.828 ( 4.036 1.696 -4.528) 6.299 11.867 ( 4.869 -1.552 -3.618) 6.261 12.505 ( 2.642 0.563 1.158) 2.939 12.519 ( 2.552 -0.569 0.332) 2.636 12.662 ( 5.412 0.761 -1.975) 5.811 12.682 ( 6.237 -0.891 -2.709) 6.858 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -4.881 3.119 12.092) 13.407 1.578 ( -4.392 -6.599 14.477) 16.505 1.747 ( -0.103 3.698 7.052) 7.964 1.826 ( 1.093 -2.494 7.269) 7.762 2.038 ( -0.266 2.135 -2.803) 3.534 2.075 ( 2.435 0.144 -2.522) 3.509 2.098 ( -0.655 0.350 -0.607) 0.960 2.150 ( -0.748 -2.800 1.833) 3.429 2.235 ( 0.460 1.828 2.979) 3.526 2.295 ( 0.185 -3.484 3.688) 5.077 2.486 ( 1.508 -0.025 -1.605) 2.202 2.493 ( 1.892 -0.746 -0.943) 2.242 2.712 ( -2.640 3.584 4.327) 6.208 2.740 ( -0.372 1.542 4.327) 4.608 2.846 ( -2.230 4.084 3.020) 5.547 2.866 ( -1.449 1.410 4.477) 4.912 3.157 ( -3.032 1.365 2.546) 4.188 3.210 ( -6.611 -0.534 5.374) 8.536 3.327 ( -2.883 -0.238 8.964) 9.420 3.413 ( 0.655 -4.906 4.683) 6.814 3.432 ( -1.760 1.243 9.854) 10.087 3.464 ( -4.641 -5.189 8.089) 10.672 3.553 ( -2.282 2.386 4.938) 5.940 3.655 ( -1.319 -4.286 1.938) 4.886 3.743 ( 1.695 7.806 -1.930) 8.218 3.781 ( -3.399 2.233 10.483) 11.244 3.811 ( -3.569 -0.315 5.229) 6.339 3.933 ( -0.736 -7.140 4.418) 8.428 4.022 ( -3.211 -2.081 5.044) 6.331 4.101 ( -0.798 -7.829 0.986) 7.931 4.374 ( -0.307 7.451 -2.180) 7.770 4.474 ( 1.012 3.676 -5.209) 6.455 4.499 ( 0.763 -0.781 -1.175) 1.604 4.584 ( 0.968 -0.889 -1.456) 1.961 4.696 ( 1.624 3.288 -0.929) 3.783 4.737 ( -0.487 0.626 -0.891) 1.193 4.813 ( -1.301 2.723 -4.127) 5.113 4.879 ( -1.800 -2.416 -4.751) 5.626 4.992 ( 0.924 2.853 -3.411) 4.542 5.091 ( 2.114 -4.204 2.476) 5.318 5.220 ( -0.626 0.119 -3.333) 3.393 5.238 ( -0.922 -0.721 -4.693) 4.837 5.374 ( 4.821 0.042 -1.484) 5.045 5.408 ( 2.531 -0.720 -1.629) 3.095 5.523 ( 4.571 4.677 -2.476) 6.993 5.554 ( 2.274 1.105 -3.205) 4.082 5.602 ( 1.908 -1.756 0.133) 2.596 5.720 ( 3.062 -7.714 -1.468) 8.428 6.011 ( -1.663 2.135 0.254) 2.718 6.052 ( -1.866 -0.983 -1.035) 2.350 6.224 ( -1.720 5.498 -1.155) 5.875 6.332 ( -1.101 -3.997 -0.320) 4.158 6.524 ( -2.131 4.492 0.143) 4.974 6.554 ( -2.055 1.193 2.330) 3.328 6.648 ( -0.330 -1.066 0.532) 1.236 6.687 ( -1.216 -3.363 -1.356) 3.825 9.739 ( -4.697 0.817 10.505) 11.536 9.761 ( -5.058 -1.027 10.907) 12.067 10.348 ( 2.336 1.322 -8.264) 8.689 10.379 ( 2.139 -1.277 -7.944) 8.326 10.857 ( -4.027 1.887 6.766) 8.097 10.906 ( -4.103 -2.215 6.229) 7.781 11.041 ( -0.689 1.127 1.290) 1.846 11.068 ( -0.496 -1.225 2.078) 2.462 11.490 ( -2.655 3.405 3.516) 5.568 11.565 ( -2.122 -2.936 1.279) 3.842 11.861 ( 3.269 2.598 -4.263) 5.967 11.919 ( 3.497 -2.251 -3.254) 5.280 12.550 ( 2.133 0.334 -1.317) 2.529 12.559 ( 2.539 -0.437 -2.423) 3.536 12.726 ( 3.919 1.158 -3.662) 5.487 12.755 ( 4.774 -1.223 -4.631) 6.763 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -5.624 2.915 9.813) 11.680 1.561 ( -8.647 -6.215 11.865) 15.943 1.748 ( -3.921 4.059 3.319) 6.547 1.841 ( -3.109 -3.783 2.799) 5.640 1.988 ( -1.332 2.644 -2.315) 3.758 2.046 ( -2.412 0.686 -1.215) 2.787 2.070 ( 1.071 0.189 -3.586) 3.748 2.139 ( -1.573 -3.179 0.929) 3.667 2.295 ( 0.805 -0.753 3.372) 3.547 2.322 ( -2.265 -3.152 1.464) 4.148 2.474 ( 0.108 3.608 2.103) 4.177 2.549 ( 1.994 -2.557 0.715) 3.321 2.727 ( -1.256 6.205 6.690) 9.210 2.802 ( 2.104 3.668 4.998) 6.547 2.855 ( -0.038 3.115 4.475) 5.452 2.914 ( 2.967 -0.434 3.231) 4.408 3.132 ( -1.179 0.219 1.755) 2.125 3.165 ( -3.294 -0.319 7.867) 8.534 3.311 ( -3.878 -2.510 4.710) 6.597 3.409 ( -2.380 -10.700 0.532) 10.975 3.454 ( -4.038 2.752 11.833) 12.802 3.511 ( -3.744 -2.396 11.818) 12.626 3.548 ( -1.397 4.170 4.332) 6.173 3.627 ( -3.133 -2.328 3.017) 4.933 3.738 ( -1.644 7.395 -0.526) 7.594 3.772 ( -2.607 2.850 4.150) 5.669 3.831 ( -2.269 0.368 10.424) 10.675 3.934 ( -2.562 -8.269 1.805) 8.842 3.978 ( -2.903 -1.637 1.284) 3.571 4.077 ( -2.943 -7.847 3.084) 8.930 4.362 ( 0.200 8.405 -1.025) 8.470 4.476 ( 3.089 0.329 -5.567) 6.375 4.521 ( 0.476 1.843 2.111) 2.843 4.616 ( 2.582 -2.603 -1.097) 3.827 4.650 ( -3.296 4.606 -1.399) 5.834 4.696 ( -0.253 0.521 -3.373) 3.422 4.828 ( 3.938 -0.465 -3.191) 5.090 4.843 ( 2.628 -2.172 -4.787) 5.877 4.996 ( 1.187 4.654 -0.436) 4.822 5.136 ( 0.252 -5.947 2.613) 6.501 5.171 ( -1.080 1.483 -3.112) 3.613 5.196 ( 0.387 -0.498 -4.737) 4.779 5.405 ( 1.315 3.108 -3.717) 5.021 5.451 ( 3.466 0.647 -3.109) 4.701 5.526 ( 0.169 0.974 -4.682) 4.785 5.567 ( -0.723 0.527 -3.215) 3.337 5.606 ( -0.923 -1.356 -0.631) 1.757 5.741 ( 0.182 -8.392 -2.400) 8.730 6.006 ( 1.984 3.120 0.863) 3.797 6.060 ( 3.124 -1.280 0.818) 3.474 6.228 ( 2.357 6.321 0.928) 6.810 6.333 ( 0.910 -2.783 1.098) 3.127 6.490 ( -2.167 3.537 1.467) 4.400 6.533 ( -2.194 -1.669 2.792) 3.924 6.651 ( -0.237 -0.812 0.487) 0.976 6.665 ( -0.641 -1.476 -0.012) 1.609 9.744 ( -3.775 0.883 10.036) 10.759 9.767 ( -3.686 -1.071 10.557) 11.233 10.330 ( 2.785 1.205 -7.971) 8.529 10.358 ( 2.502 -1.174 -7.767) 8.244 10.845 ( -3.299 1.886 7.362) 8.285 10.893 ( -3.085 -2.133 7.289) 8.197 11.044 ( -0.299 1.330 1.578) 2.086 11.076 ( -0.618 -1.419 2.165) 2.662 11.497 ( -0.267 3.233 4.922) 5.895 11.570 ( 0.822 -2.967 3.141) 4.399 11.882 ( 2.634 2.768 -4.081) 5.590 11.942 ( 1.913 -2.296 -3.390) 4.519 12.559 ( 0.393 0.277 -2.466) 2.513 12.569 ( 1.062 -0.588 -3.704) 3.898 12.744 ( 1.594 1.632 -5.094) 5.582 12.781 ( 2.621 -1.527 -6.147) 6.854 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -6.591 0.381 8.324) 10.624 1.459 ( -10.951 -3.390 9.829) 15.100 1.667 ( -7.451 4.689 2.961) 9.288 1.775 ( -7.718 -4.426 3.759) 9.659 1.931 ( -5.084 2.082 0.437) 5.512 1.975 ( -6.291 -0.966 1.083) 6.456 2.047 ( -2.574 2.236 0.600) 3.462 2.102 ( -4.750 -2.062 3.800) 6.423 2.286 ( -0.044 -0.249 0.123) 0.281 2.334 ( 0.907 -3.743 3.051) 4.913 2.516 ( 4.322 3.472 -0.297) 5.552 2.585 ( 1.986 -1.978 0.575) 2.861 2.740 ( -3.103 7.069 6.802) 10.289 2.878 ( -2.197 -2.710 5.710) 6.691 2.890 ( 3.402 7.015 0.785) 7.836 2.984 ( 1.087 -1.234 3.039) 3.455 3.158 ( 1.771 2.283 3.755) 4.737 3.210 ( -0.564 -2.413 9.477) 9.796 3.259 ( -4.586 -0.998 2.865) 5.498 3.364 ( -1.648 -7.349 -2.434) 7.916 3.451 ( -5.647 2.573 10.209) 11.947 3.505 ( -4.395 -2.798 12.176) 13.243 3.583 ( -0.861 0.946 6.606) 6.729 3.616 ( -1.790 -1.835 6.391) 6.886 3.687 ( -2.928 4.759 0.224) 5.592 3.766 ( -2.821 4.108 5.861) 7.693 3.826 ( -6.601 -2.428 3.685) 7.940 3.891 ( -1.321 -7.255 3.012) 7.965 3.966 ( 0.399 -1.405 0.341) 1.500 4.053 ( -2.550 -5.255 4.042) 7.103 4.358 ( 0.109 7.958 -0.888) 8.008 4.471 ( -0.838 -2.562 -2.090) 3.411 4.531 ( 0.874 3.365 -2.143) 4.084 4.581 ( -0.249 0.521 -2.853) 2.910 4.656 ( 2.155 2.244 -2.923) 4.269 4.688 ( 2.151 -0.018 -4.853) 5.308 4.886 ( 3.494 -0.745 0.004) 3.572 4.905 ( 4.691 -1.092 1.161) 4.954 5.027 ( 2.037 3.532 0.325) 4.090 5.136 ( -0.044 -4.928 -1.518) 5.156 5.144 ( 0.220 2.064 -1.273) 2.435 5.191 ( 2.544 -1.335 -2.702) 3.944 5.369 ( -2.431 6.858 -4.263) 8.433 5.439 ( 1.486 4.274 -6.643) 8.038 5.459 ( -4.638 -1.220 -6.586) 8.147 5.537 ( 4.000 -1.915 -4.382) 6.234 5.591 ( -0.751 -2.541 1.540) 3.065 5.726 ( -0.133 -9.559 -0.783) 9.592 6.068 ( 2.353 3.234 2.161) 4.547 6.133 ( 2.200 -2.361 1.751) 3.671 6.291 ( 1.665 7.108 0.416) 7.313 6.370 ( 2.353 0.933 -0.186) 2.538 6.471 ( -1.285 1.648 2.680) 3.399 6.543 ( 1.727 -4.405 3.344) 5.794 6.635 ( -0.560 0.546 -1.501) 1.692 6.669 ( 0.733 -1.523 0.260) 1.710 9.757 ( -3.218 1.234 9.532) 10.136 9.790 ( -2.597 -1.557 9.820) 10.277 10.326 ( 3.697 1.080 -7.943) 8.827 10.352 ( 3.536 -1.072 -7.684) 8.526 10.854 ( -2.224 2.101 7.746) 8.329 10.909 ( -1.779 -2.534 7.932) 8.515 11.052 ( -0.097 1.181 1.436) 1.862 11.078 ( -0.785 -1.062 1.763) 2.203 11.554 ( 1.813 3.981 5.413) 6.960 11.644 ( 3.837 -3.662 4.114) 6.712 11.894 ( 2.364 2.198 -4.361) 5.426 11.938 ( 1.138 -1.568 -4.316) 4.731 12.527 ( -1.989 0.271 -1.637) 2.590 12.540 ( -1.408 -0.904 -2.677) 3.157 12.699 ( -1.637 2.300 -6.346) 6.945 12.749 ( -0.440 -1.927 -7.541) 7.795 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -11.461 0.657 10.553) 15.593 1.373 ( -6.616 -4.469 7.714) 11.101 1.494 ( -15.011 4.397 4.669) 16.323 1.591 ( -14.557 -2.844 5.404) 15.786 1.803 ( -9.883 1.027 3.530) 10.545 1.845 ( -9.749 -2.740 5.667) 11.605 2.007 ( -2.848 3.323 3.588) 5.659 2.039 ( -5.122 0.663 5.397) 7.470 2.319 ( 0.356 1.027 4.573) 4.700 2.379 ( 0.300 -2.306 6.211) 6.632 2.620 ( 5.514 0.541 -2.249) 5.980 2.649 ( 5.214 -2.463 -1.537) 5.968 2.738 ( -1.785 5.263 4.538) 7.175 2.848 ( -2.883 -2.395 3.037) 4.824 2.929 ( 0.163 5.551 1.031) 5.649 3.024 ( 0.198 -3.314 3.729) 4.993 3.173 ( 0.192 6.215 -1.850) 6.488 3.224 ( -5.175 -1.566 8.305) 9.910 3.273 ( -1.862 -1.743 9.717) 10.046 3.360 ( 0.682 -5.389 3.790) 6.623 3.422 ( -3.013 4.362 4.942) 7.248 3.529 ( -2.589 -5.672 8.266) 10.354 3.596 ( -4.198 2.324 3.901) 6.184 3.649 ( -1.627 0.071 4.920) 5.182 3.669 ( 1.074 0.878 3.238) 3.522 3.712 ( -5.211 -3.017 3.008) 6.730 3.761 ( -3.663 2.816 7.835) 9.096 3.889 ( -2.814 -7.561 5.210) 9.604 3.990 ( 1.767 -0.542 -0.154) 1.855 4.049 ( -0.931 -3.619 2.312) 4.395 4.366 ( 1.288 6.134 1.374) 6.417 4.439 ( -1.602 -1.220 2.138) 2.937 4.525 ( 1.035 3.807 -3.401) 5.208 4.593 ( 3.101 -1.850 -3.395) 4.956 4.658 ( 0.679 0.917 -4.946) 5.076 4.672 ( 1.887 0.313 -6.294) 6.578 4.927 ( 0.740 5.473 -0.178) 5.526 4.988 ( 1.715 3.014 2.438) 4.239 5.061 ( 1.001 -1.778 0.908) 2.234 5.129 ( 0.564 -6.934 -0.322) 6.964 5.188 ( 5.797 3.096 -3.237) 7.326 5.249 ( 4.502 -1.333 -1.613) 4.965 5.277 ( -1.780 3.534 -5.215) 6.546 5.327 ( -2.561 -1.294 -7.792) 8.303 5.444 ( 3.062 7.027 -3.699) 8.511 5.580 ( 3.946 -2.849 -2.994) 5.714 5.604 ( 0.740 -1.944 1.967) 2.862 5.710 ( -1.449 -9.402 -0.297) 9.517 6.102 ( -1.920 3.011 1.666) 3.940 6.137 ( -1.802 0.032 -0.005) 1.803 6.280 ( -1.136 2.690 0.420) 2.950 6.364 ( -2.774 -3.589 -2.247) 5.062 6.523 ( 4.674 6.176 1.676) 7.924 6.617 ( 0.610 3.615 -0.474) 3.697 6.655 ( 6.513 -4.521 0.711) 7.960 6.692 ( 1.770 -2.640 -0.460) 3.212 9.777 ( -2.822 1.753 9.454) 10.020 9.826 ( -1.682 -2.426 9.031) 9.502 10.339 ( 4.489 1.129 -8.136) 9.361 10.365 ( 4.459 -1.122 -7.759) 9.019 10.884 ( -1.257 2.422 7.667) 8.138 10.951 ( -0.477 -3.369 7.751) 8.465 11.062 ( 0.004 0.775 1.099) 1.345 11.077 ( -0.607 -0.503 1.200) 1.436 11.636 ( 2.624 5.398 3.682) 7.042 11.756 ( 4.470 -5.113 1.721) 7.006 11.906 ( 3.020 1.558 -4.036) 5.276 11.923 ( 1.705 -0.067 -5.180) 5.454 12.468 ( -3.681 0.026 0.769) 3.761 12.479 ( -3.715 -1.139 -0.481) 3.915 12.587 ( -4.667 2.916 -5.894) 8.064 12.645 ( -4.085 -2.129 -7.442) 8.752 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -14.300 2.447 11.018) 18.217 1.256 ( -11.744 -1.889 11.171) 16.318 1.327 ( -8.319 1.365 11.159) 13.986 1.436 ( -6.740 -4.462 11.189) 13.804 1.658 ( -10.274 1.519 8.944) 13.706 1.722 ( -9.670 -4.248 9.742) 14.369 2.007 ( -1.672 3.194 6.239) 7.205 2.020 ( -2.238 2.582 7.867) 8.577 2.347 ( -2.464 2.633 6.423) 7.366 2.418 ( -2.267 -0.549 6.158) 6.586 2.658 ( 0.864 -2.462 -2.000) 3.288 2.690 ( -0.835 -4.185 0.271) 4.276 2.751 ( 2.485 2.284 -1.916) 3.881 2.818 ( -0.927 -1.842 -1.425) 2.507 2.987 ( 2.590 7.408 5.417) 9.535 3.059 ( 0.652 2.880 2.553) 3.904 3.171 ( -4.098 -2.041 3.912) 6.022 3.175 ( -1.332 -3.705 2.276) 4.548 3.312 ( -1.851 1.835 6.898) 7.374 3.342 ( -3.915 -1.147 4.405) 6.004 3.438 ( -2.600 2.571 1.636) 4.006 3.514 ( -1.818 0.970 2.254) 3.053 3.543 ( -4.480 -1.088 9.544) 10.599 3.643 ( -3.983 -4.596 7.222) 9.441 3.676 ( -3.140 4.011 8.073) 9.546 3.745 ( 0.459 -1.831 4.712) 5.076 3.776 ( 0.887 1.345 2.972) 3.381 3.897 ( -0.237 -9.339 5.376) 10.778 4.015 ( 0.691 -0.841 -0.073) 1.091 4.046 ( -1.018 -3.248 1.415) 3.686 4.437 ( 3.523 4.299 4.409) 7.095 4.463 ( 0.775 0.667 5.736) 5.827 4.515 ( 1.066 4.005 -3.842) 5.651 4.589 ( -0.651 -0.904 -4.625) 4.757 4.625 ( 1.016 0.298 -5.063) 5.173 4.677 ( 4.133 -1.539 -7.279) 8.511 4.924 ( 0.882 7.641 -3.919) 8.632 5.015 ( 0.028 5.034 2.480) 5.611 5.068 ( -1.109 -0.538 0.528) 1.341 5.121 ( -0.403 -7.034 -4.707) 8.473 5.182 ( -1.302 2.011 -5.847) 6.319 5.259 ( 2.783 -3.774 -2.895) 5.511 5.296 ( 4.219 1.853 -2.080) 5.055 5.334 ( 4.375 0.451 -2.324) 4.975 5.462 ( -0.072 5.141 -0.896) 5.219 5.635 ( 1.860 -1.187 0.298) 2.227 5.659 ( 3.384 -1.497 -0.402) 3.722 5.670 ( -0.849 -9.604 -1.223) 9.719 6.010 ( -5.273 4.906 -0.136) 7.204 6.116 ( -1.366 -2.761 -0.731) 3.166 6.251 ( -2.526 -0.294 -1.289) 2.851 6.302 ( -0.954 -4.202 -0.188) 4.313 6.607 ( 2.684 7.200 -1.077) 7.759 6.633 ( 3.007 6.795 -2.385) 7.804 6.724 ( 1.965 -3.230 -0.640) 3.835 6.778 ( 6.114 -4.485 -1.237) 7.683 9.799 ( -3.127 2.191 9.516) 10.254 9.865 ( -1.854 -3.416 8.203) 9.077 10.359 ( 4.751 1.228 -8.380) 9.711 10.388 ( 4.658 -1.181 -8.073) 9.395 10.921 ( -1.345 2.720 6.858) 7.499 11.002 ( -0.445 -4.352 5.834) 7.292 11.070 ( 0.172 0.406 0.623) 0.763 11.081 ( 0.405 -0.490 1.060) 1.236 11.691 ( 1.652 5.614 -0.258) 5.857 11.787 ( 0.895 -3.151 -4.572) 5.624 11.902 ( 0.572 3.032 -6.142) 6.873 11.970 ( 4.274 -2.372 -3.213) 5.850 12.384 ( -5.258 1.557 0.183) 5.486 12.420 ( -2.730 -1.453 2.353) 3.886 12.483 ( -3.231 1.178 0.483) 3.473 12.513 ( -4.399 -1.352 -2.300) 5.145 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -3.098 3.402 16.998) 17.610 1.207 ( -3.348 -4.760 14.381) 15.514 1.348 ( -2.485 5.219 17.669) 18.591 1.466 ( -3.820 -3.968 15.149) 16.120 1.606 ( -3.475 0.321 12.988) 13.449 1.666 ( -5.152 -4.728 12.014) 13.900 2.033 ( -0.985 3.932 7.456) 8.487 2.088 ( 1.099 -0.188 10.253) 10.314 2.318 ( -5.716 4.446 5.469) 9.075 2.398 ( -3.318 0.654 3.032) 4.543 2.624 ( -0.689 -2.511 -5.077) 5.706 2.663 ( -1.081 -3.305 -0.934) 3.600 2.782 ( 1.349 -0.207 -4.413) 4.620 2.801 ( -0.751 -1.126 0.935) 1.645 2.999 ( -4.331 6.233 1.912) 7.827 3.079 ( 0.388 6.218 2.645) 6.769 3.113 ( -6.534 -3.177 3.632) 8.123 3.204 ( 0.121 -5.982 6.038) 8.501 3.289 ( -1.113 1.181 0.967) 1.889 3.355 ( -0.831 -3.632 6.309) 7.327 3.413 ( -1.020 5.407 3.903) 6.746 3.497 ( -4.998 1.152 7.426) 9.025 3.558 ( -2.885 -0.885 11.241) 11.639 3.638 ( -2.683 -5.289 6.766) 8.997 3.680 ( -3.671 5.597 9.281) 11.443 3.765 ( -1.838 -0.632 3.905) 4.362 3.825 ( 2.778 1.028 -0.762) 3.058 3.957 ( 1.875 -10.831 3.180) 11.443 4.005 ( -2.289 -0.006 1.892) 2.970 4.037 ( -1.310 -3.728 1.873) 4.373 4.503 ( 2.671 3.415 -6.587) 7.886 4.523 ( -0.816 0.658 0.651) 1.234 4.533 ( 1.249 0.572 4.444) 4.652 4.568 ( 2.887 6.491 2.462) 7.519 4.590 ( 0.712 0.213 -6.216) 6.260 4.708 ( 4.102 -3.533 -3.352) 6.367 4.891 ( 0.568 4.958 -7.518) 9.024 4.982 ( -2.737 -1.090 -6.864) 7.469 5.071 ( 1.460 2.528 2.074) 3.581 5.090 ( 0.284 3.325 0.409) 3.362 5.143 ( 1.033 -1.407 -3.826) 4.205 5.277 ( -0.022 -6.061 -1.816) 6.327 5.339 ( 1.181 2.691 -2.157) 3.646 5.379 ( 2.613 -0.005 -3.523) 4.386 5.442 ( -0.016 4.999 -0.229) 5.005 5.612 ( -2.097 -1.435 -1.751) 3.086 5.619 ( -3.294 -3.822 -0.748) 5.101 5.704 ( 1.221 -7.214 -5.309) 9.040 5.980 ( 0.938 4.438 3.029) 5.455 6.112 ( 1.411 -6.395 1.195) 6.657 6.206 ( -0.739 3.623 -1.381) 3.947 6.304 ( 0.965 -4.619 0.131) 4.720 6.618 ( -0.094 5.529 -0.484) 5.550 6.653 ( 1.777 8.255 -5.523) 10.090 6.743 ( 0.797 -1.820 -1.926) 2.767 6.843 ( 3.047 -5.093 -4.280) 7.317 9.804 ( -4.635 2.233 9.545) 10.844 9.874 ( -4.311 -3.733 7.843) 9.697 10.377 ( 4.372 1.230 -8.604) 9.729 10.405 ( 4.232 -1.155 -8.380) 9.459 10.934 ( -2.744 2.669 5.735) 6.896 11.014 ( -2.054 -4.035 3.469) 5.703 11.075 ( -0.072 0.634 0.134) 0.652 11.098 ( -0.148 -1.743 0.657) 1.868 11.702 ( 0.765 5.845 -2.714) 6.489 11.764 ( 1.220 -0.812 -4.840) 5.057 11.824 ( -2.381 2.810 -5.635) 6.732 11.918 ( -5.101 -3.832 -6.718) 9.265 12.371 ( 1.631 2.330 3.937) 4.857 12.425 ( 0.876 -2.296 2.859) 3.770 12.475 ( 1.060 0.489 3.200) 3.406 12.486 ( 1.158 -0.450 2.466) 2.761 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 4.928 0.000 14.841) 15.637 1.699 ( 2.103 0.000 11.679) 11.867 1.712 ( -5.076 0.000 11.593) 12.656 1.805 ( 2.435 0.000 11.203) 11.465 1.901 ( -0.210 0.000 0.244) 0.322 2.050 ( -0.304 0.000 -7.878) 7.884 2.119 ( 1.659 0.000 10.517) 10.647 2.164 ( 6.146 0.000 -2.561) 6.658 2.193 ( -5.312 0.000 -4.739) 7.118 2.311 ( 0.035 0.000 -4.586) 4.586 2.345 ( -0.527 0.000 -1.703) 1.782 2.497 ( -3.195 0.000 -10.961) 11.417 2.793 ( 0.531 0.000 4.885) 4.914 2.894 ( -2.197 0.000 -4.453) 4.965 2.967 ( -6.290 0.000 11.266) 12.903 3.026 ( -5.431 0.000 2.906) 6.159 3.111 ( 3.976 0.000 2.712) 4.813 3.261 ( 6.356 0.000 -6.359) 8.991 3.435 ( -3.702 0.000 5.193) 6.377 3.515 ( -2.589 0.000 1.496) 2.990 3.557 ( 2.502 0.000 2.749) 3.717 3.562 ( -0.942 0.000 1.934) 2.151 3.665 ( -5.804 0.000 3.673) 6.869 3.748 ( 3.346 0.000 -1.211) 3.559 3.805 ( -3.059 0.000 6.699) 7.365 3.860 ( -0.418 0.000 0.526) 0.672 3.991 ( -1.443 0.000 12.855) 12.936 4.136 ( -3.058 0.000 -1.429) 3.376 4.138 ( -3.426 0.000 10.176) 10.737 4.276 ( -3.367 0.000 -3.566) 4.905 4.285 ( 0.657 0.000 -0.239) 0.700 4.371 ( 1.142 0.000 2.058) 2.354 4.411 ( 4.487 0.000 -10.597) 11.508 4.486 ( 1.181 0.000 -6.784) 6.886 4.515 ( 2.804 0.000 1.589) 3.223 4.649 ( -1.872 0.000 -8.910) 9.104 4.900 ( 3.040 0.000 6.138) 6.850 4.945 ( 7.977 0.000 3.879) 8.871 4.970 ( -4.517 0.000 1.145) 4.659 5.045 ( -5.273 0.000 -6.347) 8.251 5.188 ( -1.581 0.000 -2.786) 3.204 5.195 ( 3.037 0.000 0.377) 3.061 5.227 ( 1.886 0.000 1.135) 2.201 5.331 ( 1.378 0.000 3.597) 3.852 5.339 ( -2.137 0.000 -5.644) 6.035 5.470 ( 0.584 0.000 -7.180) 7.204 5.710 ( 2.078 0.000 1.172) 2.386 5.736 ( -3.464 0.000 0.143) 3.467 6.036 ( -1.028 0.000 0.525) 1.154 6.077 ( 2.266 0.000 -1.934) 2.979 6.273 ( -4.883 0.000 0.719) 4.936 6.296 ( 6.715 0.000 -2.020) 7.013 6.515 ( 2.241 0.000 1.459) 2.674 6.531 ( -3.040 0.000 0.702) 3.120 6.709 ( -0.385 0.000 -0.081) 0.394 6.769 ( -0.728 0.000 -5.091) 5.143 9.970 ( -4.835 0.000 9.592) 10.742 10.051 ( -5.549 0.000 8.918) 10.503 10.171 ( 4.071 0.000 -9.508) 10.343 10.240 ( 4.346 0.000 -8.962) 9.961 10.992 ( -2.334 0.000 3.693) 4.369 11.045 ( 0.284 0.000 -1.350) 1.379 11.084 ( 0.775 0.000 0.787) 1.105 11.087 ( -2.775 0.000 0.448) 2.811 11.603 ( -3.372 0.000 3.567) 4.908 11.687 ( 2.781 0.000 -4.265) 5.091 11.730 ( -5.512 0.000 -0.969) 5.597 11.747 ( 5.384 0.000 -2.360) 5.879 12.493 ( 1.060 0.000 2.190) 2.433 12.513 ( -0.218 0.000 0.396) 0.452 12.570 ( 1.890 0.000 0.413) 1.934 12.578 ( 2.565 0.000 -0.281) 2.580 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -4.753 0.000 6.177) 7.794 1.781 ( -0.222 0.000 4.615) 4.621 1.856 ( 4.908 0.000 6.187) 7.897 1.856 ( 0.396 0.000 -12.690) 12.696 1.952 ( 0.929 0.000 8.006) 8.060 1.964 ( 0.152 0.000 -7.241) 7.242 2.006 ( -4.323 0.000 -2.872) 5.190 2.224 ( -2.378 0.000 -7.547) 7.913 2.257 ( 2.119 0.000 7.625) 7.914 2.314 ( 8.939 0.000 -2.868) 9.388 2.411 ( 1.654 0.000 -6.680) 6.882 2.415 ( 2.956 0.000 9.631) 10.075 2.804 ( -3.582 0.000 -2.394) 4.309 2.835 ( -1.136 0.000 7.319) 7.407 2.932 ( -7.196 0.000 12.648) 14.552 2.956 ( -4.087 0.000 2.177) 4.631 3.169 ( 0.310 0.000 -2.318) 2.338 3.304 ( 3.370 0.000 -8.237) 8.900 3.431 ( -1.027 0.000 8.745) 8.805 3.467 ( -1.608 0.000 0.354) 1.647 3.518 ( -3.246 0.000 -1.696) 3.662 3.602 ( 1.064 0.000 1.361) 1.727 3.639 ( -2.466 0.000 8.802) 9.141 3.784 ( -4.162 0.000 4.692) 6.272 3.789 ( 0.247 0.000 -0.046) 0.251 3.843 ( -1.679 0.000 1.067) 1.989 4.061 ( -4.394 0.000 16.599) 17.171 4.113 ( 2.882 0.000 -5.036) 5.802 4.156 ( -2.626 0.000 6.824) 7.312 4.201 ( -1.507 0.000 -1.865) 2.398 4.308 ( -0.229 0.000 3.784) 3.791 4.386 ( 0.940 0.000 -8.257) 8.310 4.411 ( 2.637 0.000 2.568) 3.681 4.460 ( 1.339 0.000 -6.004) 6.152 4.588 ( 2.713 0.000 -7.619) 8.087 4.615 ( 5.276 0.000 2.536) 5.854 4.844 ( -6.910 0.000 -2.446) 7.330 4.886 ( -6.403 0.000 -5.500) 8.441 4.964 ( -1.008 0.000 5.641) 5.731 5.100 ( 4.666 0.000 -0.725) 4.722 5.165 ( 0.125 0.000 -1.509) 1.515 5.216 ( 1.690 0.000 0.163) 1.698 5.291 ( 2.214 0.000 -7.252) 7.582 5.332 ( 4.072 0.000 7.260) 8.324 5.406 ( 3.724 0.000 2.511) 4.492 5.424 ( 0.916 0.000 -7.499) 7.554 5.690 ( -0.672 0.000 0.147) 0.688 5.775 ( 2.583 0.000 2.693) 3.732 6.013 ( -1.951 0.000 0.786) 2.103 6.082 ( 0.914 0.000 -3.077) 3.210 6.154 ( -7.561 0.000 -1.547) 7.718 6.366 ( 2.791 0.000 -1.896) 3.374 6.474 ( -2.823 0.000 0.052) 2.824 6.569 ( 1.560 0.000 1.968) 2.511 6.716 ( -0.522 0.000 3.046) 3.090 6.720 ( -0.879 0.000 -2.498) 2.648 9.957 ( -5.055 0.000 10.151) 11.340 10.020 ( -5.750 0.000 10.137) 11.654 10.166 ( 3.329 0.000 -8.930) 9.530 10.242 ( 3.222 0.000 -8.234) 8.842 10.979 ( -2.695 0.000 4.607) 5.337 11.039 ( 0.034 0.000 -0.590) 0.591 11.049 ( -2.373 0.000 2.185) 3.226 11.110 ( 0.818 0.000 1.638) 1.831 11.574 ( -3.279 0.000 5.023) 5.998 11.647 ( -3.139 0.000 0.512) 3.181 11.709 ( 3.104 0.000 -4.148) 5.180 11.835 ( 5.257 0.000 -1.168) 5.385 12.502 ( -0.029 0.000 -2.116) 2.116 12.513 ( 0.530 0.000 -0.080) 0.536 12.612 ( 3.092 0.000 -2.448) 3.944 12.625 ( 3.839 0.000 -3.550) 5.229 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -5.023 0.000 7.508) 9.033 1.756 ( -1.233 0.000 -3.833) 4.027 1.756 ( 4.533 0.000 -15.129) 15.793 1.916 ( 0.345 0.000 -7.935) 7.943 1.927 ( 1.358 0.000 -7.708) 7.826 1.950 ( 2.318 0.000 0.872) 2.477 1.991 ( -5.103 0.000 9.008) 10.353 2.154 ( 1.600 0.000 -5.812) 6.028 2.366 ( 1.793 0.000 6.607) 6.846 2.401 ( 0.114 0.000 -0.467) 0.480 2.426 ( 4.119 0.000 -4.171) 5.862 2.519 ( -0.303 0.000 7.989) 7.995 2.745 ( -1.881 0.000 0.685) 2.002 2.890 ( -1.988 0.000 13.713) 13.856 2.924 ( -2.044 0.000 9.120) 9.346 2.940 ( 1.131 0.000 1.827) 2.149 3.106 ( -2.834 0.000 -2.890) 4.048 3.290 ( -0.551 0.000 0.370) 0.664 3.408 ( -0.902 0.000 -8.492) 8.540 3.491 ( 3.323 0.000 -1.500) 3.646 3.533 ( 2.859 0.000 5.629) 6.314 3.589 ( -2.675 0.000 -2.152) 3.433 3.677 ( -2.443 0.000 10.026) 10.319 3.743 ( -4.214 0.000 5.564) 6.980 3.784 ( -1.240 0.000 0.846) 1.501 3.831 ( -1.589 0.000 4.688) 4.950 4.073 ( -1.034 0.000 -7.692) 7.761 4.082 ( -7.040 0.000 14.383) 16.014 4.144 ( -3.179 0.000 5.602) 6.441 4.231 ( 4.295 0.000 -1.674) 4.609 4.311 ( -1.029 0.000 -7.865) 7.932 4.321 ( -2.959 0.000 6.647) 7.276 4.471 ( 3.987 0.000 -4.807) 6.245 4.501 ( 2.115 0.000 3.719) 4.279 4.595 ( 3.339 0.000 -6.617) 7.411 4.683 ( -4.377 0.000 -4.247) 6.099 4.740 ( 2.863 0.000 3.263) 4.341 4.780 ( 0.489 0.000 -2.706) 2.750 4.966 ( -2.818 0.000 4.825) 5.588 5.090 ( 0.083 0.000 -6.558) 6.559 5.151 ( -0.203 0.000 -2.285) 2.294 5.265 ( -1.365 0.000 8.355) 8.465 5.290 ( 3.472 0.000 -7.412) 8.185 5.390 ( 1.864 0.000 -7.281) 7.516 5.431 ( -2.675 0.000 -1.531) 3.082 5.487 ( 5.555 0.000 5.099) 7.540 5.721 ( 1.978 0.000 0.843) 2.150 5.829 ( 0.968 0.000 2.120) 2.331 5.997 ( -4.280 0.000 1.199) 4.445 6.011 ( 0.032 0.000 -1.273) 1.274 6.079 ( 1.351 0.000 -2.076) 2.477 6.382 ( 0.547 0.000 -1.358) 1.464 6.442 ( -1.014 0.000 1.065) 1.471 6.595 ( 0.151 0.000 0.742) 0.757 6.696 ( -1.051 0.000 -0.031) 1.052 6.725 ( -1.492 0.000 3.426) 3.736 9.945 ( -4.852 0.000 10.082) 11.189 10.003 ( -4.972 0.000 10.565) 11.677 10.154 ( 2.895 0.000 -8.426) 8.909 10.228 ( 2.267 0.000 -7.918) 8.236 10.967 ( -2.753 0.000 5.231) 5.911 11.036 ( -1.572 0.000 3.553) 3.885 11.037 ( 0.034 0.000 -0.308) 0.310 11.132 ( -0.031 0.000 1.733) 1.733 11.568 ( -2.072 0.000 6.276) 6.609 11.628 ( -0.250 0.000 2.513) 2.526 11.733 ( 2.942 0.000 -4.055) 5.010 11.906 ( 2.661 0.000 -0.430) 2.695 12.486 ( 1.312 0.000 -4.193) 4.393 12.519 ( 0.892 0.000 -1.536) 1.777 12.637 ( 2.301 0.000 -4.049) 4.657 12.656 ( 3.440 0.000 -5.723) 6.678 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -4.095 0.000 4.850) 6.348 1.701 ( -1.652 0.000 -3.101) 3.514 1.789 ( -1.470 0.000 -0.936) 1.742 1.859 ( 1.363 0.000 -8.040) 8.154 1.890 ( 4.036 0.000 -2.238) 4.615 1.999 ( 3.350 0.000 -1.552) 3.692 2.011 ( 2.558 0.000 1.169) 2.812 2.151 ( 1.395 0.000 -4.344) 4.563 2.348 ( -6.962 0.000 3.387) 7.742 2.369 ( -3.361 0.000 1.176) 3.560 2.449 ( 2.843 0.000 -3.572) 4.566 2.523 ( -4.492 0.000 3.116) 5.467 2.762 ( 1.549 0.000 4.548) 4.804 2.926 ( -3.493 0.000 9.924) 10.521 3.002 ( 3.319 0.000 0.901) 3.439 3.011 ( 3.364 0.000 -4.504) 5.621 3.081 ( -1.066 0.000 14.390) 14.429 3.292 ( 0.108 0.000 1.348) 1.352 3.384 ( 4.079 0.000 -5.760) 7.058 3.463 ( -6.612 0.000 -2.285) 6.995 3.537 ( 1.274 0.000 -2.387) 2.706 3.618 ( 1.990 0.000 2.631) 3.299 3.699 ( -2.289 0.000 6.977) 7.343 3.733 ( -2.572 0.000 8.051) 8.452 3.763 ( -1.800 0.000 0.871) 1.999 3.828 ( -2.753 0.000 3.496) 4.449 4.010 ( 0.781 0.000 -4.470) 4.538 4.036 ( -6.151 0.000 6.831) 9.192 4.136 ( -5.402 0.000 10.762) 12.041 4.235 ( -1.042 0.000 -3.638) 3.785 4.294 ( -5.252 0.000 5.486) 7.594 4.299 ( 5.946 0.000 -7.574) 9.629 4.503 ( -2.485 0.000 -0.121) 2.487 4.505 ( 3.691 0.000 -5.163) 6.346 4.586 ( -1.236 0.000 -3.715) 3.915 4.593 ( 0.971 0.000 -3.813) 3.934 4.822 ( 6.006 0.000 0.420) 6.021 4.896 ( 5.755 0.000 7.422) 9.392 4.958 ( -1.618 0.000 4.411) 4.699 5.051 ( 1.134 0.000 -4.947) 5.075 5.125 ( 0.187 0.000 -3.389) 3.394 5.266 ( 0.331 0.000 -7.789) 7.796 5.282 ( -5.005 0.000 3.780) 6.272 5.305 ( -5.877 0.000 -0.150) 5.878 5.397 ( 4.956 0.000 -6.653) 8.296 5.507 ( -5.632 0.000 -2.500) 6.162 5.756 ( 1.762 0.000 1.996) 2.663 5.846 ( -0.676 0.000 1.587) 1.726 5.983 ( 3.470 0.000 1.653) 3.844 6.102 ( 2.452 0.000 -1.657) 2.959 6.103 ( 5.218 0.000 3.515) 6.291 6.365 ( -1.421 0.000 -1.613) 2.149 6.455 ( 1.077 0.000 2.141) 2.397 6.596 ( -0.020 0.000 -0.266) 0.267 6.669 ( -2.050 0.000 0.581) 2.131 6.713 ( -1.873 0.000 1.641) 2.490 9.939 ( -4.330 0.000 9.670) 10.595 10.003 ( -4.098 0.000 10.144) 10.940 10.141 ( 3.049 0.000 -8.457) 8.989 10.207 ( 2.480 0.000 -7.997) 8.373 10.962 ( -2.341 0.000 5.387) 5.874 11.035 ( 0.265 0.000 -0.751) 0.797 11.047 ( -0.657 0.000 4.337) 4.386 11.134 ( -0.936 0.000 0.963) 1.343 11.597 ( -0.766 0.000 6.908) 6.950 11.674 ( 2.246 0.000 4.224) 4.784 11.752 ( 2.704 0.000 -4.366) 5.136 11.915 ( -0.699 0.000 -1.766) 1.900 12.490 ( 2.370 0.000 -3.249) 4.022 12.524 ( 0.577 0.000 -0.796) 0.983 12.626 ( 0.117 0.000 -4.561) 4.563 12.657 ( 1.898 0.000 -6.668) 6.933 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -2.069 0.000 7.840) 8.108 1.643 ( -4.123 0.000 0.774) 4.195 1.672 ( -9.373 0.000 4.823) 10.541 1.838 ( 2.879 0.000 -7.216) 7.769 1.978 ( -9.704 0.000 3.920) 10.466 1.980 ( -3.104 0.000 7.156) 7.801 2.047 ( 1.512 0.000 -1.060) 1.847 2.143 ( 1.638 0.000 -5.264) 5.513 2.274 ( 0.284 0.000 1.693) 1.716 2.372 ( 7.703 0.000 -6.007) 9.768 2.445 ( -4.381 0.000 1.887) 4.770 2.493 ( 4.816 0.000 -2.648) 5.496 2.826 ( 0.085 0.000 5.071) 5.072 2.920 ( -2.757 0.000 3.143) 4.181 2.991 ( -2.822 0.000 2.377) 3.690 3.070 ( 3.919 0.000 0.566) 3.959 3.170 ( -4.786 0.000 8.459) 9.719 3.310 ( 2.742 0.000 -3.940) 4.800 3.388 ( 1.043 0.000 4.978) 5.086 3.422 ( 0.281 0.000 2.334) 2.350 3.503 ( -3.355 0.000 -0.694) 3.426 3.597 ( -2.261 0.000 -7.869) 8.188 3.723 ( -0.972 0.000 6.081) 6.158 3.745 ( -1.227 0.000 3.467) 3.677 3.763 ( -1.311 0.000 7.894) 8.002 3.816 ( -0.986 0.000 2.458) 2.648 3.978 ( -5.253 0.000 5.187) 7.382 4.031 ( 3.325 0.000 -1.318) 3.577 4.109 ( -5.610 0.000 8.632) 10.295 4.218 ( 1.520 0.000 -0.406) 1.574 4.231 ( -4.979 0.000 4.138) 6.474 4.350 ( 6.490 0.000 -7.946) 10.260 4.447 ( -3.057 0.000 0.011) 3.057 4.525 ( 2.864 0.000 -4.518) 5.350 4.571 ( -0.753 0.000 -2.447) 2.560 4.573 ( 1.747 0.000 -2.219) 2.825 4.958 ( -3.029 0.000 2.597) 3.990 4.963 ( 6.271 0.000 3.432) 7.149 5.002 ( 0.687 0.000 2.115) 2.224 5.057 ( 2.501 0.000 -2.230) 3.351 5.135 ( 2.327 0.000 -3.288) 4.028 5.141 ( -2.378 0.000 -5.554) 6.042 5.249 ( 6.187 0.000 -2.266) 6.589 5.280 ( -5.306 0.000 7.657) 9.316 5.327 ( -7.469 0.000 -6.893) 10.164 5.444 ( 5.493 0.000 -6.721) 8.680 5.803 ( 0.441 0.000 3.485) 3.513 5.830 ( -2.140 0.000 0.872) 2.311 6.069 ( 2.904 0.000 1.124) 3.114 6.118 ( 0.143 0.000 -2.894) 2.897 6.223 ( 4.636 0.000 3.425) 5.764 6.299 ( -3.098 0.000 -3.290) 4.519 6.509 ( 2.032 0.000 3.029) 3.647 6.574 ( -1.791 0.000 -3.204) 3.671 6.660 ( 1.110 0.000 2.349) 2.598 6.693 ( -0.339 0.000 -0.605) 0.693 9.941 ( -3.542 0.000 9.380) 10.026 10.013 ( -3.085 0.000 9.238) 9.739 10.134 ( 3.712 0.000 -8.878) 9.623 10.198 ( 3.583 0.000 -8.321) 9.059 10.968 ( -1.520 0.000 5.042) 5.267 11.035 ( 0.749 0.000 -1.445) 1.627 11.077 ( 0.200 0.000 4.211) 4.215 11.117 ( -1.213 0.000 0.130) 1.220 11.637 ( -0.707 0.000 6.152) 6.193 11.758 ( 2.042 0.000 -5.357) 5.733 11.772 ( 4.517 0.000 4.064) 6.077 11.862 ( -1.980 0.000 -4.458) 4.878 12.514 ( 1.326 0.000 -0.118) 1.331 12.524 ( -0.827 0.000 0.934) 1.247 12.569 ( -2.855 0.000 -2.875) 4.052 12.620 ( -0.478 0.000 -5.777) 5.797 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -8.822 0.000 5.632) 10.466 1.564 ( -8.338 0.000 10.312) 13.261 1.633 ( -1.737 0.000 10.336) 10.481 1.736 ( -14.648 0.000 7.954) 16.669 1.895 ( 4.945 0.000 -6.790) 8.400 1.898 ( -7.883 0.000 6.153) 9.999 2.045 ( -4.573 0.000 6.234) 7.732 2.084 ( -2.856 0.000 -0.686) 2.937 2.383 ( 7.337 0.000 -0.695) 7.370 2.402 ( -1.549 0.000 1.038) 1.865 2.511 ( 10.800 0.000 -9.853) 14.619 2.579 ( 6.129 0.000 -2.268) 6.535 2.848 ( -1.275 0.000 5.809) 5.948 2.872 ( -2.695 0.000 -3.116) 4.120 2.948 ( -4.682 0.000 5.160) 6.967 3.123 ( -5.295 0.000 10.399) 11.669 3.137 ( 3.809 0.000 -4.486) 5.885 3.329 ( 0.890 0.000 -3.581) 3.690 3.372 ( -6.039 0.000 -0.435) 6.055 3.401 ( -2.613 0.000 1.726) 3.131 3.495 ( -2.370 0.000 -2.411) 3.381 3.545 ( 3.503 0.000 7.254) 8.056 3.743 ( -1.758 0.000 4.858) 5.167 3.747 ( -0.736 0.000 1.460) 1.635 3.801 ( -1.239 0.000 7.065) 7.173 3.825 ( 0.492 0.000 0.598) 0.775 3.929 ( -4.596 0.000 5.940) 7.510 4.082 ( -2.983 0.000 6.182) 6.864 4.100 ( 4.424 0.000 -0.188) 4.428 4.199 ( -2.368 0.000 5.129) 5.650 4.278 ( 3.405 0.000 2.280) 4.098 4.393 ( -3.179 0.000 0.787) 3.275 4.412 ( 7.202 0.000 -9.762) 12.132 4.538 ( -0.610 0.000 0.027) 0.611 4.545 ( 2.458 0.000 -2.880) 3.787 4.585 ( 0.736 0.000 -2.345) 2.458 4.868 ( -5.091 0.000 -2.492) 5.669 4.965 ( -2.911 0.000 3.002) 4.181 5.087 ( -1.816 0.000 -2.211) 2.861 5.098 ( 4.043 0.000 -7.250) 8.301 5.111 ( 2.269 0.000 -8.777) 9.065 5.163 ( -0.961 0.000 0.082) 0.965 5.188 ( 8.100 0.000 3.890) 8.986 5.254 ( -4.149 0.000 6.120) 7.393 5.404 ( 4.939 0.000 1.070) 5.054 5.508 ( 8.716 0.000 -5.123) 10.110 5.782 ( -3.210 0.000 -0.265) 3.221 5.822 ( -1.528 0.000 3.857) 4.149 6.038 ( -5.321 0.000 -2.729) 5.980 6.096 ( 0.507 0.000 -1.253) 1.352 6.221 ( -1.320 0.000 -7.244) 7.363 6.314 ( 2.122 0.000 2.937) 3.624 6.503 ( -2.305 0.000 -2.397) 3.326 6.558 ( 0.544 0.000 2.641) 2.696 6.700 ( 1.983 0.000 -1.586) 2.539 6.728 ( 4.189 0.000 0.231) 4.195 9.956 ( -2.904 0.000 9.164) 9.613 10.036 ( -2.007 0.000 8.253) 8.493 10.139 ( 4.534 0.000 -9.243) 10.295 10.204 ( 4.449 0.000 -8.961) 10.004 10.984 ( -0.784 0.000 4.247) 4.319 11.040 ( 1.148 0.000 -1.948) 2.262 11.095 ( -1.008 0.000 -0.389) 1.081 11.117 ( 0.855 0.000 2.949) 3.070 11.662 ( -1.244 0.000 4.291) 4.468 11.736 ( 0.494 0.000 -6.347) 6.366 11.788 ( -1.058 0.000 -6.286) 6.374 11.887 ( 4.911 0.000 1.381) 5.101 12.461 ( -4.813 0.000 -0.979) 4.911 12.524 ( -1.168 0.000 0.658) 1.340 12.534 ( -2.181 0.000 4.672) 5.156 12.563 ( -1.810 0.000 -0.781) 1.972 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -9.796 0.000 14.535) 17.527 1.539 ( -4.830 0.000 14.413) 15.201 1.590 ( -8.269 0.000 10.057) 13.020 1.700 ( -0.546 0.000 12.003) 12.016 1.841 ( -4.579 0.000 8.963) 10.066 1.933 ( 4.345 0.000 -5.227) 6.797 2.000 ( -6.331 0.000 9.157) 11.133 2.094 ( 3.779 0.000 0.394) 3.800 2.374 ( -2.411 0.000 0.288) 2.429 2.442 ( -1.515 0.000 -0.439) 1.577 2.552 ( 2.444 0.000 -11.383) 11.643 2.662 ( 5.113 0.000 -5.149) 7.256 2.795 ( -1.725 0.000 -3.352) 3.770 2.901 ( 1.509 0.000 5.195) 5.410 2.915 ( -2.624 0.000 4.314) 5.049 3.123 ( -6.857 0.000 11.951) 13.778 3.144 ( 3.936 0.000 -8.202) 9.098 3.228 ( -3.021 0.000 -8.679) 9.189 3.305 ( 1.245 0.000 1.664) 2.078 3.426 ( -2.289 0.000 5.345) 5.815 3.480 ( 0.378 0.000 5.070) 5.084 3.601 ( -1.412 0.000 1.550) 2.097 3.748 ( -0.161 0.000 0.494) 0.520 3.749 ( -1.819 0.000 5.206) 5.514 3.822 ( -2.812 0.000 7.292) 7.816 3.840 ( 1.141 0.000 -0.622) 1.299 3.912 ( -3.169 0.000 7.930) 8.539 4.104 ( -0.811 0.000 6.461) 6.511 4.175 ( 3.067 0.000 0.475) 3.104 4.220 ( 0.452 0.000 4.690) 4.711 4.345 ( -2.630 0.000 1.122) 2.860 4.349 ( 2.915 0.000 -0.639) 2.984 4.419 ( 2.849 0.000 -10.622) 10.998 4.553 ( -1.713 0.000 -2.762) 3.250 4.570 ( 1.554 0.000 -0.835) 1.764 4.602 ( 5.627 0.000 3.381) 6.565 4.769 ( -2.422 0.000 -3.940) 4.624 4.930 ( -3.873 0.000 -10.567) 11.255 4.958 ( -0.898 0.000 4.126) 4.223 5.113 ( 4.183 0.000 -6.787) 7.972 5.161 ( 4.845 0.000 -3.951) 6.252 5.165 ( -2.741 0.000 3.989) 4.840 5.252 ( -0.719 0.000 4.697) 4.751 5.367 ( 5.475 0.000 3.907) 6.726 5.409 ( -1.087 0.000 -3.812) 3.964 5.598 ( -0.026 0.000 -4.663) 4.663 5.739 ( 0.557 0.000 -1.364) 1.474 5.814 ( -2.429 0.000 3.686) 4.415 5.962 ( -0.315 0.000 1.290) 1.328 6.080 ( -0.515 0.000 -2.212) 2.272 6.132 ( 0.704 0.000 -9.322) 9.349 6.347 ( -0.560 0.000 2.008) 2.085 6.472 ( 0.340 0.000 -1.619) 1.655 6.572 ( -0.913 0.000 2.135) 2.322 6.726 ( 1.841 0.000 -2.028) 2.739 6.794 ( 3.550 0.000 -2.701) 4.461 9.974 ( -3.104 0.000 8.866) 9.394 10.064 ( -1.990 0.000 7.555) 7.813 10.152 ( 4.948 0.000 -9.526) 10.735 10.216 ( 4.778 0.000 -9.557) 10.685 11.001 ( -0.841 0.000 3.353) 3.457 11.045 ( 1.153 0.000 -2.074) 2.373 11.077 ( -0.449 0.000 -0.514) 0.682 11.147 ( 0.474 0.000 0.624) 0.784 11.659 ( -2.039 0.000 2.915) 3.557 11.692 ( 0.524 0.000 -5.493) 5.518 11.724 ( -0.302 0.000 -6.507) 6.514 11.935 ( 0.083 0.000 -3.039) 3.041 12.399 ( -2.062 0.000 3.654) 4.196 12.492 ( -1.397 0.000 0.735) 1.578 12.535 ( -2.126 0.000 5.543) 5.937 12.550 ( -1.782 0.000 3.833) 4.227 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -0.684 0.000 18.142) 18.155 1.590 ( -1.970 0.000 13.206) 13.352 1.614 ( -0.489 0.000 16.155) 16.163 1.766 ( -3.382 0.000 10.644) 11.168 1.875 ( -0.470 0.000 8.888) 8.901 1.990 ( -1.909 0.000 11.790) 11.944 1.998 ( 6.772 0.000 -4.129) 7.931 2.163 ( 2.682 0.000 -3.384) 4.318 2.314 ( -4.062 0.000 -0.569) 4.102 2.359 ( -4.219 0.000 -1.386) 4.441 2.448 ( -2.709 0.000 -11.576) 11.889 2.639 ( -1.360 0.000 -9.968) 10.060 2.763 ( -0.884 0.000 1.762) 1.971 2.935 ( 0.077 0.000 -0.942) 0.945 2.947 ( 1.986 0.000 3.674) 4.177 3.070 ( -6.488 0.000 10.837) 12.631 3.110 ( -4.276 0.000 -1.493) 4.529 3.198 ( 6.491 0.000 -7.240) 9.724 3.430 ( 1.704 0.000 3.779) 4.146 3.430 ( 5.123 0.000 4.164) 6.602 3.529 ( -0.113 0.000 5.115) 5.116 3.560 ( -2.795 0.000 0.226) 2.804 3.736 ( -3.840 0.000 3.595) 5.260 3.742 ( -0.685 0.000 -0.211) 0.717 3.814 ( -3.845 0.000 6.870) 7.873 3.853 ( 0.762 0.000 -0.475) 0.898 3.933 ( -2.513 0.000 10.558) 10.853 4.127 ( -2.807 0.000 7.756) 8.249 4.196 ( -1.787 0.000 0.742) 1.935 4.274 ( 1.198 0.000 1.645) 2.035 4.328 ( 0.205 0.000 2.206) 2.216 4.359 ( -2.106 0.000 -2.209) 3.052 4.392 ( 5.954 0.000 -11.913) 13.318 4.502 ( -1.222 0.000 -1.189) 1.705 4.547 ( -1.661 0.000 -5.350) 5.602 4.727 ( 3.411 0.000 -4.659) 5.775 4.773 ( 4.779 0.000 4.846) 6.806 4.825 ( 1.144 0.000 -4.505) 4.648 4.984 ( -0.369 0.000 3.920) 3.937 5.127 ( 1.995 0.000 -6.132) 6.449 5.146 ( -1.542 0.000 4.496) 4.754 5.210 ( 3.174 0.000 -4.120) 5.201 5.284 ( 0.348 0.000 4.304) 4.318 5.299 ( -6.308 0.000 -3.981) 7.459 5.420 ( -1.646 0.000 -0.899) 1.876 5.521 ( -0.936 0.000 -6.099) 6.171 5.708 ( -1.087 0.000 -3.170) 3.351 5.789 ( -2.997 0.000 2.224) 3.732 6.022 ( 3.353 0.000 1.999) 3.904 6.052 ( -0.761 0.000 -1.084) 1.325 6.170 ( 8.579 0.000 -4.878) 9.869 6.331 ( -2.593 0.000 1.572) 3.032 6.478 ( 1.389 0.000 -0.714) 1.562 6.564 ( -1.766 0.000 1.943) 2.626 6.726 ( 0.139 0.000 -2.300) 2.304 6.808 ( 1.247 0.000 -4.982) 5.136 9.979 ( -4.027 0.000 8.954) 9.818 10.073 ( -3.761 0.000 7.711) 8.579 10.166 ( 4.735 0.000 -9.690) 10.785 10.228 ( 4.801 0.000 -9.584) 10.719 11.003 ( -1.640 0.000 3.079) 3.489 11.048 ( 0.785 0.000 -1.879) 2.036 11.072 ( 0.215 0.000 -0.098) 0.236 11.134 ( -1.697 0.000 -0.778) 1.866 11.636 ( -2.830 0.000 2.756) 3.950 11.682 ( 1.307 0.000 -3.528) 3.762 11.691 ( 3.091 0.000 -5.104) 5.967 11.852 ( -5.299 0.000 -3.023) 6.101 12.437 ( 1.846 0.000 3.939) 4.350 12.498 ( 0.708 0.000 1.328) 1.505 12.544 ( -0.864 0.000 3.949) 4.043 12.551 ( -0.974 0.000 3.194) 3.339 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 3.792 -0.697 15.138) 15.621 1.652 ( 1.184 -1.881 13.975) 14.151 1.770 ( -3.496 3.644 6.830) 8.494 1.858 ( -2.333 -3.528 4.334) 6.056 1.883 ( 3.978 4.965 7.605) 9.915 1.990 ( 1.902 -4.469 6.010) 7.727 2.137 ( 4.035 1.847 -1.211) 4.600 2.172 ( 0.446 -0.101 -5.072) 5.093 2.222 ( -2.218 1.389 -2.166) 3.397 2.259 ( -1.612 -2.445 -2.854) 4.089 2.392 ( -0.887 3.049 -5.732) 6.553 2.463 ( -2.081 -2.894 -9.000) 9.680 2.794 ( 0.156 0.729 4.151) 4.218 2.837 ( -2.338 -3.058 1.569) 4.156 3.027 ( -3.314 2.331 2.620) 4.825 3.041 ( -3.544 0.617 1.584) 3.931 3.214 ( 0.466 8.849 4.844) 10.099 3.312 ( 3.338 4.645 -2.828) 6.381 3.421 ( 0.374 -6.257 5.097) 8.079 3.456 ( 1.096 -6.929 1.678) 7.213 3.536 ( -2.224 2.612 4.427) 5.601 3.577 ( -3.165 3.156 2.145) 4.958 3.685 ( -1.677 -0.677 1.456) 2.321 3.724 ( -0.966 -1.065 -0.584) 1.553 3.802 ( -5.714 1.736 5.923) 8.411 3.850 ( 2.843 1.341 0.233) 3.152 3.932 ( 0.680 -6.485 5.795) 8.723 3.976 ( -3.368 -9.221 0.429) 9.826 4.140 ( -1.946 0.495 9.420) 9.632 4.172 ( -2.250 -2.635 8.872) 9.525 4.352 ( 0.066 3.688 -6.580) 7.543 4.403 ( 2.052 -0.204 -8.851) 9.088 4.469 ( 1.433 1.754 -0.837) 2.415 4.490 ( 1.840 0.122 -2.175) 2.851 4.599 ( 0.233 4.553 -4.443) 6.366 4.649 ( -1.051 -0.507 -7.669) 7.757 4.889 ( 3.188 0.954 4.728) 5.782 4.917 ( 5.514 -1.258 3.197) 6.497 5.048 ( -2.585 2.912 -0.880) 3.992 5.069 ( -3.352 0.834 -3.625) 5.008 5.225 ( 0.215 3.582 0.226) 3.596 5.227 ( -1.832 2.209 0.886) 3.003 5.264 ( 0.966 2.322 1.749) 3.064 5.307 ( 1.859 -1.734 2.435) 3.520 5.376 ( -0.730 3.407 -5.969) 6.911 5.451 ( 0.416 -1.921 -7.366) 7.624 5.570 ( -0.421 -6.429 1.735) 6.672 5.618 ( 1.430 -8.821 -2.100) 9.179 6.073 ( -0.676 3.119 2.502) 4.056 6.120 ( -0.449 -0.295 -1.504) 1.597 6.271 ( 1.583 2.485 2.623) 3.945 6.324 ( 1.438 -0.947 -1.998) 2.638 6.562 ( 0.223 5.133 0.280) 5.145 6.590 ( -1.071 4.380 -1.148) 4.653 6.668 ( -0.441 -3.576 -0.799) 3.691 6.709 ( -0.714 -5.095 -4.179) 6.628 9.986 ( -4.924 1.431 9.471) 10.770 10.025 ( -5.211 -1.921 9.029) 10.600 10.190 ( 4.004 1.477 -9.208) 10.149 10.224 ( 4.208 -1.372 -9.058) 10.082 11.009 ( -2.264 1.488 3.353) 4.311 11.049 ( -1.320 -1.516 1.234) 2.359 11.060 ( -0.320 0.498 -0.119) 0.603 11.082 ( -0.059 -0.884 -0.515) 1.024 11.641 ( -3.762 2.914 1.874) 5.114 11.693 ( -0.112 -0.604 -1.978) 2.071 11.716 ( -1.528 -0.321 -1.895) 2.456 11.735 ( 4.554 -1.040 -2.640) 5.365 12.498 ( 0.784 0.395 1.766) 1.973 12.508 ( 0.153 -0.422 0.863) 0.973 12.571 ( 2.010 0.110 0.225) 2.025 12.575 ( 2.351 -0.197 -0.137) 2.363 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -3.364 2.670 5.087) 6.658 1.785 ( 0.290 -4.502 5.595) 7.188 1.796 ( 0.804 1.104 3.085) 3.374 1.828 ( 1.955 -1.861 -4.155) 4.955 1.970 ( -1.145 1.883 -6.592) 6.951 1.994 ( -0.073 0.730 3.030) 3.117 2.054 ( -2.429 3.347 -4.306) 5.970 2.145 ( -1.958 -5.033 -4.555) 7.065 2.270 ( 3.072 1.343 3.716) 5.005 2.313 ( 6.970 -1.300 1.883) 7.336 2.400 ( 1.908 -0.149 3.459) 3.954 2.411 ( 2.241 -0.352 -3.566) 4.226 2.800 ( -1.830 0.877 0.796) 2.180 2.837 ( 0.226 -1.518 4.770) 5.011 2.984 ( -4.830 2.380 4.458) 6.990 2.993 ( -4.101 2.577 6.737) 8.298 3.214 ( -2.876 4.839 -0.051) 5.630 3.300 ( -1.636 -0.906 -4.064) 4.474 3.412 ( -0.314 -1.204 -1.590) 2.019 3.506 ( -0.493 -0.727 6.061) 6.125 3.515 ( -0.770 -0.979 0.663) 1.411 3.587 ( 0.433 1.294 4.976) 5.160 3.681 ( -0.375 3.038 2.461) 3.927 3.726 ( -0.630 -3.978 1.879) 4.444 3.741 ( -5.145 1.473 5.769) 7.869 3.879 ( -1.784 1.462 1.342) 2.669 3.937 ( 1.371 -9.572 -0.643) 9.691 3.997 ( -0.121 -6.409 5.124) 8.206 4.166 ( -3.906 1.560 8.711) 9.674 4.202 ( -1.986 -1.174 9.753) 10.022 4.313 ( 1.597 2.625 -6.064) 6.798 4.357 ( 0.892 -0.825 -7.629) 7.725 4.463 ( 0.510 2.921 -2.007) 3.581 4.523 ( 2.133 -3.081 -3.531) 5.149 4.610 ( 4.115 5.307 -0.283) 6.721 4.660 ( 4.389 0.367 -1.391) 4.619 4.856 ( -5.557 2.563 -4.718) 7.727 4.889 ( -5.647 0.141 -5.459) 7.855 5.004 ( -1.940 2.930 3.762) 5.148 5.080 ( 3.080 -2.475 2.575) 4.717 5.203 ( -1.085 2.545 0.497) 2.811 5.233 ( -1.004 0.853 -1.596) 2.070 5.318 ( 0.780 1.805 0.215) 1.978 5.357 ( 1.038 -2.100 0.153) 2.348 5.386 ( 6.373 4.217 0.490) 7.657 5.439 ( 4.671 -0.158 -4.217) 6.295 5.577 ( 0.637 -5.296 0.642) 5.372 5.642 ( 2.636 -8.810 -2.070) 9.426 6.071 ( -1.941 2.455 2.780) 4.186 6.087 ( -2.358 0.503 -1.290) 2.735 6.240 ( -3.210 5.022 -2.285) 6.383 6.326 ( 0.097 -2.991 -1.723) 3.453 6.550 ( -1.087 5.359 -0.034) 5.468 6.595 ( 0.456 2.540 1.322) 2.899 6.663 ( -0.474 -3.954 0.658) 4.037 6.682 ( 0.089 -3.597 0.026) 3.598 9.970 ( -5.150 1.177 10.125) 11.420 10.001 ( -5.452 -1.468 10.038) 11.517 10.186 ( 3.230 1.601 -8.661) 9.382 10.223 ( 3.222 -1.577 -8.399) 9.133 10.995 ( -2.552 1.398 4.271) 5.168 11.030 ( -2.339 -1.553 3.114) 4.193 11.056 ( 0.108 1.365 -0.285) 1.399 11.090 ( 0.512 -1.566 0.726) 1.801 11.593 ( -3.353 1.575 3.381) 5.016 11.629 ( -3.269 -1.488 1.283) 3.814 11.747 ( 3.730 2.950 -2.882) 5.561 11.809 ( 4.779 -2.285 -1.554) 5.520 12.505 ( 0.141 0.273 -1.622) 1.651 12.511 ( 0.420 -0.218 -0.587) 0.754 12.613 ( 3.253 0.192 -2.702) 4.233 12.620 ( 3.626 -0.355 -3.270) 4.896 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -2.626 3.146 3.852) 5.624 1.735 ( 3.081 -0.319 -12.270) 12.655 1.801 ( -0.954 0.311 -1.946) 2.189 1.842 ( -5.241 -5.130 7.939) 10.807 1.891 ( 2.029 1.811 -10.298) 10.651 1.955 ( -0.969 -1.391 -6.547) 6.763 2.036 ( 0.885 2.275 0.130) 2.445 2.098 ( 1.608 -3.609 -4.182) 5.754 2.364 ( 0.326 1.492 5.240) 5.459 2.427 ( -2.945 -1.039 3.340) 4.572 2.448 ( 3.079 0.548 0.205) 3.134 2.458 ( 5.752 -1.697 2.046) 6.336 2.789 ( -0.205 4.019 1.735) 4.382 2.886 ( 1.080 -4.062 3.423) 5.420 2.964 ( -2.402 3.260 7.841) 8.825 3.004 ( -1.788 3.063 11.254) 11.800 3.131 ( -2.984 5.423 -2.077) 6.529 3.272 ( 0.431 -3.143 -0.470) 3.207 3.371 ( -1.528 0.197 -3.338) 3.677 3.476 ( -2.439 -7.723 -2.507) 8.478 3.571 ( 1.308 3.932 5.793) 7.123 3.624 ( 1.278 5.263 -2.188) 5.842 3.691 ( -2.345 0.444 5.316) 5.827 3.705 ( -1.935 0.735 5.139) 5.540 3.738 ( -2.116 -2.846 4.985) 6.118 3.847 ( -1.868 -1.577 0.954) 2.624 3.945 ( -0.157 -6.482 -1.967) 6.776 4.008 ( -2.409 -6.692 2.957) 7.703 4.141 ( -5.312 4.163 9.300) 11.491 4.227 ( -2.944 -3.443 5.806) 7.364 4.317 ( 3.461 2.399 -4.871) 6.438 4.337 ( 1.193 0.516 -2.497) 2.816 4.482 ( 2.774 3.086 -1.873) 4.553 4.547 ( 3.163 -2.645 -2.030) 4.596 4.678 ( 0.014 3.423 -1.217) 3.633 4.707 ( -5.542 2.774 -5.102) 8.027 4.733 ( 3.669 -0.799 1.821) 4.173 4.761 ( -1.190 -0.211 -3.037) 3.269 5.006 ( -0.817 5.289 3.633) 6.468 5.121 ( 0.398 0.966 -2.320) 2.545 5.171 ( -2.271 0.217 -0.909) 2.456 5.208 ( 1.143 -3.552 1.214) 3.924 5.323 ( -0.046 1.172 -1.413) 1.836 5.357 ( 1.204 -1.142 -3.131) 3.544 5.477 ( 0.605 3.195 -3.185) 4.552 5.522 ( 4.375 2.273 2.251) 5.420 5.605 ( 0.878 -5.473 0.212) 5.547 5.684 ( 2.930 -8.799 -1.278) 9.362 6.015 ( -2.532 2.199 -0.456) 3.384 6.052 ( -0.915 0.281 1.549) 1.821 6.197 ( 0.639 7.067 -1.025) 7.170 6.320 ( 0.677 -4.169 -0.655) 4.274 6.534 ( -1.216 5.553 0.937) 5.762 6.595 ( -1.127 -0.025 1.230) 1.668 6.666 ( -0.494 -1.806 0.967) 2.108 6.688 ( -0.764 -3.073 1.852) 3.668 9.958 ( -4.840 1.107 10.142) 11.292 9.987 ( -4.867 -1.309 10.309) 11.475 10.173 ( 2.704 1.545 -8.209) 8.780 10.209 ( 2.424 -1.537 -8.031) 8.528 10.984 ( -2.548 1.423 4.946) 5.743 11.018 ( -2.041 -1.380 4.036) 4.728 11.058 ( 0.218 1.734 0.094) 1.750 11.104 ( 0.124 -2.179 1.000) 2.401 11.579 ( -1.515 1.063 4.752) 5.100 11.609 ( -0.715 -1.408 2.869) 3.275 11.788 ( 2.731 4.091 -2.303) 5.431 11.871 ( 2.640 -3.038 -0.850) 4.114 12.495 ( 1.195 0.734 -3.508) 3.778 12.512 ( 0.978 -0.651 -2.163) 2.461 12.640 ( 2.589 0.310 -4.455) 5.162 12.650 ( 3.165 -0.483 -5.309) 6.200 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -4.268 3.497 2.920) 6.242 1.717 ( -0.583 -0.995 -5.366) 5.489 1.753 ( -5.414 -0.470 3.514) 6.472 1.820 ( 0.268 -4.668 1.987) 5.081 1.890 ( 6.978 2.504 -9.046) 11.696 1.952 ( 6.041 -2.569 -4.894) 8.188 2.051 ( 0.096 1.697 -0.041) 1.700 2.100 ( 0.364 -3.117 -2.517) 4.023 2.338 ( -4.699 0.328 2.430) 5.300 2.359 ( -5.088 -0.823 1.940) 5.507 2.507 ( 2.051 2.445 -0.162) 3.195 2.531 ( 0.729 0.048 0.262) 0.776 2.822 ( 1.874 5.081 2.957) 6.170 2.933 ( 2.325 -4.357 0.903) 5.020 2.982 ( -3.599 4.189 9.004) 10.563 3.056 ( -1.974 -1.471 3.636) 4.391 3.139 ( 2.817 8.235 7.355) 11.395 3.290 ( -0.009 -0.514 2.501) 2.553 3.341 ( 1.539 -2.734 -2.305) 3.893 3.390 ( -4.337 -7.890 -1.952) 9.213 3.594 ( -0.700 6.192 -5.335) 8.203 3.628 ( 1.264 1.574 0.480) 2.075 3.693 ( -1.345 -1.698 4.788) 5.255 3.720 ( -2.578 0.306 7.068) 7.530 3.727 ( -2.755 -1.939 4.078) 5.289 3.831 ( -0.985 -3.877 1.340) 4.219 3.913 ( -1.362 -2.914 -0.153) 3.220 3.971 ( -1.984 -4.228 0.280) 4.679 4.131 ( -5.678 2.456 11.977) 13.481 4.205 ( -3.058 -3.044 3.726) 5.701 4.336 ( 0.417 2.422 -1.647) 2.959 4.347 ( 3.380 1.694 -4.043) 5.535 4.503 ( 1.078 2.590 -3.889) 4.795 4.564 ( -1.249 -1.867 -4.789) 5.289 4.597 ( -0.584 1.787 -2.623) 3.227 4.602 ( -1.360 1.065 -4.666) 4.975 4.819 ( 4.700 -0.418 3.126) 5.660 4.844 ( 5.086 -2.756 5.797) 8.189 5.032 ( 0.133 6.774 3.316) 7.543 5.094 ( -0.390 1.902 -2.430) 3.110 5.136 ( -0.522 1.543 -0.793) 1.812 5.234 ( -2.838 -4.759 2.819) 6.217 5.299 ( 1.798 3.485 -5.628) 6.860 5.372 ( 4.333 -2.015 -5.642) 7.394 5.406 ( -4.551 5.733 -3.048) 7.929 5.494 ( -6.325 -1.744 -3.664) 7.515 5.624 ( 0.558 -5.051 2.055) 5.482 5.701 ( 0.778 -8.874 -1.175) 8.985 6.048 ( 3.904 3.747 2.822) 6.103 6.106 ( 3.712 -0.876 3.210) 4.985 6.228 ( 2.865 7.069 -0.440) 7.640 6.335 ( 1.085 -2.738 -0.870) 3.071 6.521 ( -1.047 4.495 1.583) 4.880 6.582 ( -1.175 -1.149 1.414) 2.168 6.648 ( -1.909 -0.994 0.123) 2.156 6.677 ( -1.321 -2.853 0.536) 3.189 9.953 ( -4.268 1.220 9.711) 10.677 9.984 ( -4.122 -1.437 9.864) 10.787 10.158 ( 2.875 1.379 -8.210) 8.807 10.191 ( 2.622 -1.343 -8.065) 8.586 10.981 ( -2.076 1.604 5.104) 5.739 11.019 ( -1.293 -1.541 3.916) 4.402 11.064 ( 0.214 1.652 0.345) 1.701 11.108 ( -0.387 -2.038 0.503) 2.135 11.611 ( 0.309 1.318 5.683) 5.842 11.647 ( 1.743 -1.766 4.014) 4.720 11.807 ( 1.470 3.860 -2.707) 4.939 11.884 ( -0.096 -2.775 -1.921) 3.376 12.499 ( 1.834 0.704 -2.565) 3.231 12.515 ( 0.929 -0.681 -1.324) 1.755 12.633 ( 0.613 0.571 -5.133) 5.201 12.648 ( 1.512 -0.703 -6.195) 6.416 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -5.139 0.419 6.256) 8.107 1.624 ( -7.403 -2.723 4.032) 8.859 1.713 ( -2.959 4.915 3.328) 6.632 1.819 ( 0.056 -3.391 -1.769) 3.825 1.955 ( -1.904 0.130 1.545) 2.455 1.989 ( -7.261 -0.475 1.360) 7.403 2.027 ( 1.962 -0.134 -0.400) 2.006 2.082 ( 2.392 -3.892 -4.555) 6.452 2.290 ( -0.177 2.190 1.675) 2.763 2.343 ( 4.386 -2.133 -2.179) 5.342 2.505 ( -1.219 3.859 0.441) 4.071 2.546 ( 3.170 1.027 -2.977) 4.468 2.875 ( -1.106 4.353 4.677) 6.484 2.951 ( -0.581 -0.137 -1.579) 1.689 2.988 ( -2.725 1.862 6.909) 7.657 3.053 ( 1.526 -1.888 1.397) 2.800 3.214 ( -3.473 4.042 5.581) 7.716 3.303 ( 0.317 -0.814 -1.850) 2.046 3.353 ( 3.310 -2.814 6.006) 7.413 3.391 ( 0.678 -4.709 5.604) 7.351 3.511 ( -3.378 3.518 -5.223) 7.146 3.576 ( -2.646 -1.346 -9.239) 9.704 3.720 ( -1.354 -0.469 5.582) 5.763 3.725 ( -0.586 -1.141 5.647) 5.791 3.746 ( -1.245 -0.093 7.143) 7.251 3.820 ( -1.556 -3.573 1.391) 4.138 3.912 ( -0.546 -1.781 2.824) 3.383 3.953 ( 0.566 -2.420 -1.252) 2.782 4.104 ( -7.295 1.737 11.509) 13.737 4.174 ( -4.161 -3.384 5.807) 7.905 4.339 ( 1.629 4.934 -1.060) 5.303 4.385 ( 5.256 1.289 -6.034) 8.106 4.468 ( -1.230 0.933 -2.309) 2.778 4.505 ( 0.996 -1.855 -4.756) 5.202 4.576 ( 0.746 0.744 -3.189) 3.358 4.585 ( 0.446 0.329 -3.101) 3.150 4.943 ( 2.948 0.879 4.245) 5.243 4.985 ( 3.952 -1.595 4.721) 6.360 5.047 ( 1.103 5.363 -0.332) 5.485 5.085 ( -0.328 1.510 1.855) 2.414 5.134 ( 1.698 -0.272 -1.020) 2.000 5.159 ( -2.497 -0.923 -4.757) 5.452 5.294 ( 1.039 2.653 -3.289) 4.352 5.316 ( -6.651 0.961 -4.045) 7.843 5.332 ( -1.278 4.261 -0.337) 4.462 5.425 ( 5.602 -1.951 -5.694) 8.222 5.647 ( -0.691 -6.263 3.151) 7.045 5.703 ( 0.676 -9.237 -1.859) 9.446 6.132 ( 1.301 3.863 3.502) 5.374 6.173 ( 0.283 0.324 0.846) 0.949 6.279 ( 2.285 4.443 -0.243) 5.002 6.325 ( -0.440 0.684 -3.381) 3.477 6.531 ( 0.050 2.206 2.857) 3.610 6.583 ( 0.624 0.541 -1.516) 1.726 6.619 ( -0.261 -2.353 1.895) 3.032 6.659 ( 0.123 -2.866 -1.288) 3.145 9.956 ( -3.465 1.326 9.271) 9.986 9.992 ( -3.208 -1.650 9.088) 9.778 10.151 ( 3.637 1.360 -8.530) 9.372 10.182 ( 3.610 -1.268 -8.370) 9.203 10.990 ( -1.210 1.841 4.685) 5.177 11.031 ( -0.125 -1.263 2.191) 2.532 11.072 ( 0.045 0.530 1.204) 1.316 11.100 ( -0.600 -1.409 -0.107) 1.535 11.667 ( 0.559 2.331 5.009) 5.553 11.720 ( 2.479 -2.306 2.068) 3.968 11.809 ( 1.866 2.020 -2.675) 3.837 11.847 ( -0.768 -1.327 -4.143) 4.417 12.514 ( 0.291 0.133 0.487) 0.583 12.520 ( -0.473 -0.339 1.052) 1.203 12.582 ( -1.889 1.089 -4.013) 4.567 12.607 ( -0.814 -1.042 -5.312) 5.474 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -8.550 -0.299 8.773) 12.253 1.555 ( -5.662 -2.802 8.751) 10.793 1.650 ( -9.651 4.378 10.180) 14.695 1.744 ( -10.091 -2.303 8.399) 13.329 1.887 ( -2.916 0.505 0.880) 3.088 1.905 ( -0.692 -0.259 -1.551) 1.718 2.023 ( -2.747 0.033 2.784) 3.911 2.066 ( -1.013 -2.306 -1.313) 2.840 2.363 ( 5.179 2.339 0.047) 5.683 2.447 ( 6.085 -3.537 -1.218) 7.143 2.510 ( 3.255 4.020 -4.332) 6.747 2.580 ( 2.366 -1.577 -3.766) 4.719 2.844 ( -4.073 2.706 2.727) 5.599 2.909 ( -3.558 -2.096 1.961) 4.571 3.012 ( 1.199 6.718 3.692) 7.759 3.116 ( 3.118 -2.231 0.345) 3.850 3.180 ( -3.702 4.745 5.521) 8.167 3.292 ( -2.182 -3.913 2.865) 5.318 3.372 ( -3.518 0.648 -7.200) 8.040 3.433 ( -2.280 -4.255 -2.200) 5.305 3.462 ( -0.465 4.010 1.481) 4.300 3.518 ( 4.485 -1.417 6.959) 8.400 3.718 ( -2.460 -0.786 3.899) 4.677 3.750 ( -0.686 -0.765 2.774) 2.958 3.783 ( -1.043 -2.596 5.990) 6.611 3.803 ( -0.767 -2.629 0.934) 2.894 3.912 ( -1.675 0.005 2.647) 3.133 3.977 ( 2.290 -3.392 -0.362) 4.109 4.064 ( -5.822 1.590 10.400) 12.024 4.153 ( -3.927 -4.849 7.294) 9.599 4.384 ( 3.225 6.153 -0.984) 7.016 4.436 ( 5.118 2.518 -7.202) 9.187 4.465 ( 2.907 0.520 0.510) 2.997 4.507 ( 2.277 -3.105 -3.921) 5.495 4.551 ( -0.852 1.369 -1.296) 2.069 4.574 ( -0.097 -0.850 -1.083) 1.380 4.909 ( -3.859 4.997 -2.908) 6.952 5.003 ( -0.549 -2.384 -6.690) 7.123 5.064 ( -1.385 2.733 1.307) 3.331 5.110 ( 2.326 -0.820 -2.235) 3.328 5.143 ( -0.831 2.227 -2.360) 3.350 5.195 ( 4.923 0.022 1.937) 5.290 5.224 ( 0.382 3.839 1.285) 4.066 5.259 ( -1.525 -0.312 2.070) 2.590 5.410 ( 5.340 2.079 0.408) 5.745 5.490 ( 6.937 -1.867 -4.533) 8.494 5.643 ( -1.296 -5.305 1.081) 5.567 5.698 ( -0.154 -8.944 -0.864) 8.987 6.106 ( -5.772 3.939 -2.000) 7.268 6.142 ( -2.041 1.933 0.533) 2.862 6.262 ( -1.994 1.917 -3.701) 4.620 6.312 ( 0.077 -1.625 0.414) 1.679 6.545 ( 0.755 4.981 -0.060) 5.038 6.593 ( 1.573 2.314 -0.640) 2.871 6.668 ( 2.377 -2.582 -1.094) 3.676 6.679 ( 3.585 -4.157 0.249) 5.495 9.972 ( -2.760 1.393 8.912) 9.433 10.011 ( -2.274 -1.892 8.306) 8.817 10.157 ( 4.446 1.440 -8.890) 10.044 10.189 ( 4.459 -1.271 -8.908) 10.042 11.009 ( -0.481 2.090 3.852) 4.409 11.046 ( 0.890 -0.080 -0.391) 0.975 11.081 ( -0.642 -1.080 0.947) 1.573 11.090 ( -0.026 -1.447 0.711) 1.612 11.689 ( -0.813 1.943 0.770) 2.243 11.726 ( -0.347 -1.166 -4.114) 4.290 11.812 ( 1.024 2.266 -4.032) 4.737 11.865 ( 3.869 -2.029 -0.201) 4.374 12.475 ( -4.158 1.182 -0.276) 4.331 12.505 ( -2.701 -1.371 0.998) 3.189 12.543 ( -1.443 0.608 2.527) 2.973 12.556 ( -1.601 -0.547 0.436) 1.747 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -9.089 1.180 14.121) 16.835 1.506 ( -7.809 -4.778 12.448) 15.453 1.611 ( -3.718 5.266 14.142) 15.542 1.711 ( -2.811 -2.181 13.599) 14.057 1.848 ( -4.636 1.269 7.626) 9.015 1.897 ( -1.616 -2.908 2.436) 4.123 2.011 ( 0.492 2.173 0.420) 2.267 2.072 ( 3.438 -2.343 -2.440) 4.824 2.421 ( -0.031 3.919 0.587) 3.963 2.464 ( -2.744 1.609 -1.269) 3.424 2.541 ( 0.898 -1.148 -8.184) 8.312 2.572 ( 4.293 -6.020 -5.896) 9.457 2.798 ( -2.465 3.481 1.524) 4.529 2.880 ( -2.154 -3.115 3.433) 5.112 3.060 ( 1.182 7.223 0.754) 7.358 3.131 ( -0.116 0.306 -2.320) 2.343 3.182 ( -2.234 2.882 6.138) 7.140 3.241 ( -3.619 0.288 -4.761) 5.987 3.278 ( 0.356 -0.217 0.232) 0.477 3.393 ( 0.399 -6.856 2.454) 7.292 3.512 ( -0.232 7.526 6.010) 9.634 3.611 ( 0.235 0.647 2.948) 3.028 3.710 ( -1.649 -2.414 3.671) 4.693 3.755 ( -0.444 -2.984 2.971) 4.235 3.800 ( 0.222 -2.108 0.984) 2.336 3.814 ( 0.428 -3.056 2.343) 3.875 3.898 ( -3.290 1.769 4.972) 6.218 4.019 ( 1.778 -5.828 1.098) 6.191 4.068 ( -2.120 -0.203 8.779) 9.034 4.136 ( -4.433 -4.661 7.634) 9.983 4.403 ( 1.371 5.567 -3.809) 6.883 4.456 ( 2.707 2.511 -9.113) 9.833 4.497 ( 1.701 -0.466 -5.555) 5.829 4.520 ( -0.376 -2.008 -0.939) 2.248 4.581 ( 3.001 2.192 4.933) 6.176 4.606 ( 4.427 -0.054 4.732) 6.481 4.816 ( -2.377 4.942 -5.993) 8.123 4.899 ( -2.159 -2.121 -10.730) 11.149 5.077 ( 0.471 6.313 0.089) 6.331 5.094 ( 0.840 1.569 -1.169) 2.129 5.152 ( -0.732 -2.204 2.849) 3.676 5.175 ( 0.382 -0.415 -1.688) 1.780 5.296 ( 1.921 2.650 0.953) 3.408 5.329 ( 3.338 -2.461 1.549) 4.427 5.452 ( 0.326 3.978 -0.642) 4.043 5.591 ( 3.583 -3.916 -3.534) 6.377 5.618 ( -1.414 -3.693 -1.358) 4.181 5.678 ( -1.886 -8.019 -0.097) 8.238 6.007 ( -1.827 4.037 0.080) 4.432 6.090 ( -0.810 -1.734 -1.618) 2.506 6.204 ( -1.393 4.987 -1.974) 5.542 6.307 ( -0.769 -3.794 0.528) 3.907 6.565 ( 1.820 7.088 -1.995) 7.585 6.609 ( 0.535 2.527 -0.512) 2.633 6.697 ( 1.684 -2.097 -1.650) 3.155 6.738 ( 3.099 -4.783 -2.446) 6.202 9.991 ( -2.904 1.523 8.588) 9.193 10.034 ( -2.282 -2.192 7.757) 8.377 10.171 ( 4.782 1.424 -9.210) 10.475 10.202 ( 4.776 -1.200 -9.414) 10.624 11.026 ( -0.855 2.148 3.014) 3.798 11.056 ( 1.035 0.691 -1.449) 1.910 11.069 ( -0.500 -0.612 -0.397) 0.885 11.103 ( 0.085 -3.070 0.982) 3.225 11.668 ( -0.188 0.641 -2.320) 2.415 11.683 ( 0.316 -0.694 -4.664) 4.726 11.791 ( -0.840 5.080 -3.282) 6.106 11.894 ( -0.218 -3.700 -2.955) 4.740 12.421 ( -1.900 1.896 3.130) 4.123 12.467 ( -1.617 -1.985 1.913) 3.196 12.540 ( -1.952 0.361 4.624) 5.033 12.547 ( -1.842 -0.260 4.004) 4.415 ======================= 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 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -1.040 0.964 17.304) 17.362 1.527 ( -1.768 -3.857 15.295) 15.873 1.705 ( 0.352 6.154 15.264) 16.462 1.794 ( -2.833 1.091 13.023) 13.372 1.859 ( -0.447 -1.566 9.236) 9.379 1.888 ( -2.366 -5.548 7.257) 9.437 2.053 ( 5.084 3.421 -2.809) 6.741 2.131 ( 4.818 -3.052 -3.351) 6.615 2.351 ( -6.056 2.154 -1.839) 6.685 2.369 ( -4.872 0.578 -4.402) 6.591 2.470 ( -0.777 2.402 -7.804) 8.202 2.566 ( 0.076 -5.729 -8.350) 10.127 2.776 ( -1.307 3.284 2.094) 4.108 2.865 ( -2.375 -4.040 2.643) 5.380 3.063 ( 0.015 4.433 -2.412) 5.047 3.091 ( -3.841 1.324 2.652) 4.852 3.163 ( -0.759 4.063 1.851) 4.528 3.253 ( 6.481 2.019 -1.493) 6.951 3.324 ( 0.856 -2.426 5.135) 5.744 3.445 ( 0.775 -6.808 4.027) 7.948 3.530 ( -1.997 6.067 5.077) 8.159 3.610 ( -1.552 3.146 1.399) 3.777 3.702 ( -1.860 -2.773 3.104) 4.559 3.756 ( -1.175 -1.011 -0.214) 1.565 3.814 ( 1.314 -0.099 -0.771) 1.526 3.853 ( -3.088 3.640 5.343) 7.164 3.872 ( -0.903 -6.204 5.502) 8.341 4.034 ( -2.189 -10.171 1.178) 10.471 4.103 ( -1.683 -0.614 8.055) 8.251 4.135 ( -1.876 -2.389 8.712) 9.226 4.392 ( 0.599 4.522 -3.455) 5.722 4.420 ( 2.179 2.442 -9.433) 9.984 4.482 ( 1.415 -1.388 -4.232) 4.673 4.485 ( -0.836 -1.447 -2.680) 3.158 4.666 ( -1.809 9.613 -0.652) 9.804 4.732 ( 3.092 0.822 -3.798) 4.965 4.762 ( 4.424 -1.367 2.898) 5.462 4.795 ( 0.676 -2.545 -3.343) 4.256 5.068 ( 0.524 2.905 -1.859) 3.489 5.114 ( -0.354 -0.742 -1.539) 1.744 5.161 ( 2.025 4.190 4.769) 6.663 5.234 ( 4.099 -0.484 -0.936) 4.233 5.306 ( -1.839 2.183 0.624) 2.922 5.320 ( -3.980 0.901 -1.892) 4.498 5.440 ( -1.308 2.867 -1.351) 3.429 5.520 ( -2.198 0.003 -6.600) 6.956 5.590 ( -2.136 -6.396 -2.557) 7.211 5.625 ( -1.432 -10.810 -0.176) 10.906 6.043 ( 2.024 3.496 2.746) 4.885 6.123 ( 2.644 -3.087 -1.197) 4.237 6.191 ( 2.003 6.423 1.135) 6.824 6.306 ( 0.613 -3.658 0.307) 3.721 6.568 ( 0.376 7.109 -2.265) 7.471 6.608 ( -0.187 3.238 -0.312) 3.258 6.694 ( -0.193 -2.437 -2.513) 3.506 6.747 ( 0.865 -5.278 -4.481) 6.977 9.997 ( -3.948 1.598 8.733) 9.716 10.042 ( -3.724 -2.279 7.960) 9.079 10.184 ( 4.582 1.382 -9.389) 10.539 10.215 ( 4.701 -1.183 -9.509) 10.673 11.023 ( -1.758 1.705 2.709) 3.652 11.059 ( -0.096 -0.275 -0.742) 0.797 11.062 ( 0.251 0.202 -0.289) 0.433 11.099 ( -0.748 -2.399 -0.418) 2.547 11.660 ( 1.272 1.124 -2.146) 2.736 11.678 ( 2.557 -0.604 -3.268) 4.193 11.731 ( -2.561 3.995 -2.261) 5.256 11.817 ( -4.768 -3.132 -2.581) 6.261 12.452 ( 1.496 1.215 3.383) 3.894 12.482 ( 0.906 -1.308 2.156) 2.680 12.546 ( -0.841 0.140 3.566) 3.666 12.549 ( -0.912 -0.131 3.264) 3.391 =================== 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 82.677 48.357 105.409 0.000 12.698 0.000 3/15552 20.0 26.154 14.103 42.608 0.000 -2.395 0.000 3/15552 30.0 11.828 6.094 19.319 0.000 -1.531 0.000 3/15552 40.0 6.818 3.489 10.974 0.000 -0.928 0.000 3/15552 50.0 4.579 2.354 7.295 0.000 -0.633 0.000 3/15552 60.0 3.391 1.758 5.375 0.000 -0.475 0.000 3/15552 70.0 2.682 1.402 4.240 0.000 -0.382 0.000 3/15552 80.0 2.219 1.169 3.507 0.000 -0.322 0.000 3/15552 90.0 1.897 1.006 3.000 0.000 -0.281 0.000 3/15552 100.0 1.661 0.885 2.631 0.000 -0.252 0.000 3/15552 110.0 1.482 0.793 2.352 0.000 -0.229 0.000 3/15552 120.0 1.341 0.720 2.132 0.000 -0.212 0.000 3/15552 130.0 1.228 0.661 1.955 0.000 -0.197 0.000 3/15552 140.0 1.134 0.611 1.809 0.000 -0.185 0.000 3/15552 150.0 1.055 0.569 1.686 0.000 -0.175 0.000 3/15552 160.0 0.988 0.534 1.581 0.000 -0.165 0.000 3/15552 170.0 0.930 0.502 1.489 0.000 -0.157 0.000 3/15552 180.0 0.879 0.475 1.409 0.000 -0.150 0.000 3/15552 190.0 0.834 0.451 1.338 0.000 -0.143 0.000 3/15552 200.0 0.794 0.429 1.274 0.000 -0.137 0.000 3/15552 210.0 0.758 0.409 1.216 0.000 -0.132 0.000 3/15552 220.0 0.725 0.391 1.164 0.000 -0.127 0.000 3/15552 230.0 0.695 0.375 1.116 0.000 -0.122 0.000 3/15552 240.0 0.668 0.360 1.073 0.000 -0.118 0.000 3/15552 250.0 0.643 0.347 1.032 0.000 -0.113 0.000 3/15552 260.0 0.620 0.334 0.995 0.000 -0.110 0.000 3/15552 270.0 0.598 0.322 0.961 0.000 -0.106 0.000 3/15552 280.0 0.578 0.311 0.928 0.000 -0.103 0.000 3/15552 290.0 0.560 0.301 0.898 0.000 -0.099 0.000 3/15552 300.0 0.542 0.291 0.870 0.000 -0.096 0.000 3/15552 310.0 0.526 0.282 0.844 0.000 -0.094 0.000 3/15552 320.0 0.511 0.274 0.819 0.000 -0.091 0.000 3/15552 330.0 0.496 0.266 0.796 0.000 -0.088 0.000 3/15552 340.0 0.482 0.259 0.774 0.000 -0.086 0.000 3/15552 350.0 0.470 0.252 0.753 0.000 -0.084 0.000 3/15552 360.0 0.457 0.245 0.733 0.000 -0.081 0.000 3/15552 370.0 0.446 0.239 0.714 0.000 -0.079 0.000 3/15552 380.0 0.435 0.233 0.697 0.000 -0.077 0.000 3/15552 390.0 0.424 0.227 0.680 0.000 -0.076 0.000 3/15552 400.0 0.414 0.222 0.664 0.000 -0.074 0.000 3/15552 410.0 0.405 0.216 0.648 0.000 -0.072 0.000 3/15552 420.0 0.396 0.211 0.633 0.000 -0.070 0.000 3/15552 430.0 0.387 0.207 0.619 0.000 -0.069 0.000 3/15552 440.0 0.379 0.202 0.606 0.000 -0.067 0.000 3/15552 450.0 0.371 0.198 0.593 0.000 -0.066 0.000 3/15552 460.0 0.363 0.194 0.581 0.000 -0.065 0.000 3/15552 470.0 0.356 0.190 0.569 0.000 -0.063 0.000 3/15552 480.0 0.349 0.186 0.558 0.000 -0.062 0.000 3/15552 490.0 0.342 0.182 0.547 0.000 -0.061 0.000 3/15552 500.0 0.336 0.179 0.536 0.000 -0.060 0.000 3/15552 510.0 0.330 0.175 0.526 0.000 -0.058 0.000 3/15552 520.0 0.324 0.172 0.517 0.000 -0.057 0.000 3/15552 530.0 0.318 0.169 0.507 0.000 -0.056 0.000 3/15552 540.0 0.312 0.166 0.498 0.000 -0.055 0.000 3/15552 550.0 0.307 0.163 0.489 0.000 -0.054 0.000 3/15552 560.0 0.302 0.160 0.481 0.000 -0.053 0.000 3/15552 570.0 0.297 0.157 0.473 0.000 -0.052 0.000 3/15552 580.0 0.292 0.155 0.465 0.000 -0.052 0.000 3/15552 590.0 0.287 0.152 0.457 0.000 -0.051 0.000 3/15552 600.0 0.283 0.150 0.450 0.000 -0.050 0.000 3/15552 610.0 0.278 0.147 0.443 0.000 -0.049 0.000 3/15552 620.0 0.274 0.145 0.436 0.000 -0.048 0.000 3/15552 630.0 0.270 0.143 0.429 0.000 -0.048 0.000 3/15552 640.0 0.266 0.141 0.423 0.000 -0.047 0.000 3/15552 650.0 0.262 0.139 0.417 0.000 -0.046 0.000 3/15552 660.0 0.258 0.137 0.410 0.000 -0.045 0.000 3/15552 670.0 0.254 0.135 0.405 0.000 -0.045 0.000 3/15552 680.0 0.251 0.133 0.399 0.000 -0.044 0.000 3/15552 690.0 0.247 0.131 0.393 0.000 -0.043 0.000 3/15552 700.0 0.244 0.129 0.388 0.000 -0.043 0.000 3/15552 710.0 0.241 0.127 0.382 0.000 -0.042 0.000 3/15552 720.0 0.237 0.125 0.377 0.000 -0.042 0.000 3/15552 730.0 0.234 0.124 0.372 0.000 -0.041 0.000 3/15552 740.0 0.231 0.122 0.367 0.000 -0.041 0.000 3/15552 750.0 0.228 0.121 0.363 0.000 -0.040 0.000 3/15552 760.0 0.225 0.119 0.358 0.000 -0.039 0.000 3/15552 770.0 0.223 0.118 0.353 0.000 -0.039 0.000 3/15552 780.0 0.220 0.116 0.349 0.000 -0.038 0.000 3/15552 790.0 0.217 0.115 0.345 0.000 -0.038 0.000 3/15552 800.0 0.215 0.113 0.340 0.000 -0.037 0.000 3/15552 810.0 0.212 0.112 0.336 0.000 -0.037 0.000 3/15552 820.0 0.210 0.110 0.332 0.000 -0.037 0.000 3/15552 830.0 0.207 0.109 0.328 0.000 -0.036 0.000 3/15552 840.0 0.205 0.108 0.325 0.000 -0.036 0.000 3/15552 850.0 0.202 0.107 0.321 0.000 -0.035 0.000 3/15552 860.0 0.200 0.105 0.317 0.000 -0.035 0.000 3/15552 870.0 0.198 0.104 0.314 0.000 -0.034 0.000 3/15552 880.0 0.196 0.103 0.310 0.000 -0.034 0.000 3/15552 890.0 0.194 0.102 0.307 0.000 -0.034 0.000 3/15552 900.0 0.192 0.101 0.304 0.000 -0.033 0.000 3/15552 910.0 0.189 0.100 0.300 0.000 -0.033 0.000 3/15552 920.0 0.187 0.099 0.297 0.000 -0.033 0.000 3/15552 930.0 0.186 0.098 0.294 0.000 -0.032 0.000 3/15552 940.0 0.184 0.097 0.291 0.000 -0.032 0.000 3/15552 950.0 0.182 0.096 0.288 0.000 -0.032 0.000 3/15552 960.0 0.180 0.095 0.285 0.000 -0.031 0.000 3/15552 970.0 0.178 0.094 0.282 0.000 -0.031 0.000 3/15552 980.0 0.176 0.093 0.279 0.000 -0.031 0.000 3/15552 990.0 0.175 0.092 0.276 0.000 -0.030 0.000 3/15552 1000.0 0.173 0.091 0.274 0.000 -0.030 0.000 3/15552 Thermal conductivity related properties were written into "kappa-m839.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:06:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|