----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:29:34]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.453960120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.579480950000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.383750049999998 Atomic positions (fractional): *1 Na 0.01072438242713 0.06252465042994 0.47792865617241 22.990 *2 Na 0.75462950776952 0.08600665434479 0.75252905202343 22.990 3 Na 0.25462950776952 0.91399334565521 0.75252905202343 22.990 4 Na 0.24537049223048 0.91399334565521 0.25252905202343 22.990 5 Na 0.51072438242713 0.93747534957006 0.47792865617241 22.990 6 Na 0.48927561757287 0.06252465042994 0.97792865617241 22.990 7 Na 0.98927561757287 0.93747534957006 0.97792865617241 22.990 8 Na 0.74537049223048 0.08600665434479 0.25252905202343 22.990 *9 Si 0.95371525261327 0.54876123320666 0.24927746026284 28.085 *10 Si 0.19303409370835 0.37025409092255 0.05672405861904 28.085 11 Si 0.30696590629165 0.37025409092255 0.55672405861904 28.085 12 Si 0.80696590629165 0.62974590907745 0.55672405861904 28.085 13 Si 0.45371525261327 0.45123876679334 0.24927746026284 28.085 14 Si 0.54628474738673 0.54876123320666 0.74927746026284 28.085 15 Si 0.69303409370835 0.62974590907745 0.05672405861904 28.085 16 Si 0.04628474738673 0.45123876679334 0.74927746026284 28.085 *17 O 0.73368628630379 0.89318677485854 0.00091121833514 15.999 *18 O 0.99964286277042 0.17807233608114 0.74639227331439 15.999 *19 O 0.91764915519984 0.64321263553118 0.71123774937319 15.999 20 O 0.00035713722958 0.82192766391886 0.24639227331439 15.999 21 O 0.41764915519984 0.35678736446882 0.71123774937319 15.999 *22 O 0.88597155864025 0.45566371443873 0.42200453589018 15.999 23 O 0.23368628630379 0.10681322514146 0.00091121833514 15.999 *24 O 0.67041260346465 0.46973796451943 0.61829500600939 15.999 25 O 0.08235084480016 0.35678736446882 0.21123774937319 15.999 26 O 0.32958739653535 0.53026203548057 0.11829500600939 15.999 27 O 0.82958739653535 0.46973796451943 0.11829500600939 15.999 28 O 0.76631371369621 0.89318677485854 0.50091121833514 15.999 29 O 0.26631371369621 0.10681322514146 0.50091121833514 15.999 30 O 0.38597155864025 0.54433628556127 0.42200453589018 15.999 31 O 0.50035713722958 0.17807233608114 0.24639227331439 15.999 32 O 0.17041260346465 0.53026203548057 0.61829500600939 15.999 33 O 0.49964286277042 0.82192766391886 0.74639227331439 15.999 34 O 0.11402844135975 0.54433628556127 0.92200453589018 15.999 35 O 0.58235084480016 0.64321263553118 0.21123774937319 15.999 36 O 0.61402844135975 0.45566371443873 0.92200453589018 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.453960120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.579480950000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.383750049999998 Atomic positions (fractional): *1 Na 0.01072438242713 0.06252465042994 0.47792865617241 22.990 > 1 *2 Na 0.75462950776952 0.08600665434479 0.75252905202343 22.990 > 2 3 Na 0.25462950776952 0.91399334565521 0.75252905202343 22.990 > 3 4 Na 0.24537049223048 0.91399334565521 0.25252905202343 22.990 > 4 5 Na 0.51072438242713 0.93747534957006 0.47792865617241 22.990 > 5 6 Na 0.48927561757287 0.06252465042994 0.97792865617241 22.990 > 6 7 Na 0.98927561757287 0.93747534957006 0.97792865617241 22.990 > 7 8 Na 0.74537049223048 0.08600665434479 0.25252905202343 22.990 > 8 *9 Si 0.95371525261327 0.54876123320666 0.24927746026284 28.085 > 9 *10 Si 0.19303409370835 0.37025409092255 0.05672405861904 28.085 > 10 11 Si 0.30696590629165 0.37025409092255 0.55672405861904 28.085 > 11 12 Si 0.80696590629165 0.62974590907745 0.55672405861904 28.085 > 12 13 Si 0.45371525261327 0.45123876679334 0.24927746026284 28.085 > 13 14 Si 0.54628474738673 0.54876123320666 0.74927746026284 28.085 > 14 15 Si 0.69303409370835 0.62974590907745 0.05672405861904 28.085 > 15 16 Si 0.04628474738673 0.45123876679334 0.74927746026284 28.085 > 16 *17 O 0.73368628630379 0.89318677485854 0.00091121833514 15.999 > 17 *18 O 0.99964286277042 0.17807233608114 0.74639227331439 15.999 > 18 *19 O 0.91764915519984 0.64321263553118 0.71123774937319 15.999 > 19 20 O 0.00035713722958 0.82192766391886 0.24639227331439 15.999 > 20 21 O 0.41764915519984 0.35678736446882 0.71123774937319 15.999 > 21 *22 O 0.88597155864025 0.45566371443873 0.42200453589018 15.999 > 22 23 O 0.23368628630379 0.10681322514146 0.00091121833514 15.999 > 23 *24 O 0.67041260346465 0.46973796451943 0.61829500600939 15.999 > 24 25 O 0.08235084480016 0.35678736446882 0.21123774937319 15.999 > 25 26 O 0.32958739653535 0.53026203548057 0.11829500600939 15.999 > 26 27 O 0.82958739653535 0.46973796451943 0.11829500600939 15.999 > 27 28 O 0.76631371369621 0.89318677485854 0.50091121833514 15.999 > 28 29 O 0.26631371369621 0.10681322514146 0.50091121833514 15.999 > 29 30 O 0.38597155864025 0.54433628556127 0.42200453589018 15.999 > 30 31 O 0.50035713722958 0.17807233608114 0.24639227331439 15.999 > 31 32 O 0.17041260346465 0.53026203548057 0.61829500600939 15.999 > 32 33 O 0.49964286277042 0.82192766391886 0.74639227331439 15.999 > 33 34 O 0.11402844135975 0.54433628556127 0.92200453589018 15.999 > 34 35 O 0.58235084480016 0.64321263553118 0.21123774937319 15.999 > 35 36 O 0.61402844135975 0.45566371443873 0.92200453589018 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.453960120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.158961900000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.767500099999996 Atomic positions (fractional): *1 Na 0.01072438242713 0.03126232521497 0.23896432808620 22.990 > 1 2 Na 0.01072438242713 0.53126232521497 0.23896432808620 22.990 > 1 3 Na 0.01072438242713 0.03126232521497 0.73896432808621 22.990 > 1 4 Na 0.01072438242713 0.53126232521497 0.73896432808621 22.990 > 1 *5 Na 0.75462950776952 0.04300332717239 0.37626452601172 22.990 > 2 6 Na 0.75462950776952 0.54300332717239 0.37626452601172 22.990 > 2 7 Na 0.75462950776952 0.04300332717239 0.87626452601172 22.990 > 2 8 Na 0.75462950776952 0.54300332717239 0.87626452601172 22.990 > 2 9 Na 0.25462950776952 0.45699667282761 0.37626452601172 22.990 > 3 10 Na 0.25462950776952 0.95699667282761 0.37626452601172 22.990 > 3 11 Na 0.25462950776952 0.45699667282761 0.87626452601172 22.990 > 3 12 Na 0.25462950776952 0.95699667282761 0.87626452601172 22.990 > 3 13 Na 0.24537049223048 0.45699667282761 0.12626452601172 22.990 > 4 14 Na 0.24537049223048 0.95699667282761 0.12626452601172 22.990 > 4 15 Na 0.24537049223048 0.45699667282761 0.62626452601172 22.990 > 4 16 Na 0.24537049223048 0.95699667282761 0.62626452601172 22.990 > 4 17 Na 0.51072438242713 0.46873767478503 0.23896432808620 22.990 > 5 18 Na 0.51072438242713 0.96873767478503 0.23896432808620 22.990 > 5 19 Na 0.51072438242713 0.46873767478503 0.73896432808621 22.990 > 5 20 Na 0.51072438242713 0.96873767478503 0.73896432808621 22.990 > 5 21 Na 0.48927561757287 0.03126232521497 0.48896432808620 22.990 > 6 22 Na 0.48927561757287 0.53126232521497 0.48896432808620 22.990 > 6 23 Na 0.48927561757287 0.03126232521497 0.98896432808621 22.990 > 6 24 Na 0.48927561757287 0.53126232521497 0.98896432808621 22.990 > 6 25 Na 0.98927561757287 0.46873767478503 0.48896432808620 22.990 > 7 26 Na 0.98927561757287 0.96873767478503 0.48896432808620 22.990 > 7 27 Na 0.98927561757287 0.46873767478503 0.98896432808621 22.990 > 7 28 Na 0.98927561757287 0.96873767478503 0.98896432808621 22.990 > 7 29 Na 0.74537049223048 0.04300332717239 0.12626452601172 22.990 > 8 30 Na 0.74537049223048 0.54300332717239 0.12626452601172 22.990 > 8 31 Na 0.74537049223048 0.04300332717239 0.62626452601172 22.990 > 8 32 Na 0.74537049223048 0.54300332717239 0.62626452601172 22.990 > 8 *33 Si 0.95371525261327 0.27438061660333 0.12463873013142 28.085 > 9 34 Si 0.95371525261327 0.77438061660333 0.12463873013142 28.085 > 9 35 Si 0.95371525261327 0.27438061660333 0.62463873013142 28.085 > 9 36 Si 0.95371525261327 0.77438061660333 0.62463873013142 28.085 > 9 *37 Si 0.19303409370835 0.18512704546127 0.02836202930952 28.085 > 10 38 Si 0.19303409370835 0.68512704546127 0.02836202930952 28.085 > 10 39 Si 0.19303409370835 0.18512704546127 0.52836202930952 28.085 > 10 40 Si 0.19303409370835 0.68512704546127 0.52836202930952 28.085 > 10 41 Si 0.30696590629165 0.18512704546127 0.27836202930952 28.085 > 11 42 Si 0.30696590629165 0.68512704546127 0.27836202930952 28.085 > 11 43 Si 0.30696590629165 0.18512704546127 0.77836202930952 28.085 > 11 44 Si 0.30696590629165 0.68512704546127 0.77836202930952 28.085 > 11 45 Si 0.80696590629165 0.31487295453873 0.27836202930952 28.085 > 12 46 Si 0.80696590629165 0.81487295453873 0.27836202930952 28.085 > 12 47 Si 0.80696590629165 0.31487295453873 0.77836202930952 28.085 > 12 48 Si 0.80696590629165 0.81487295453873 0.77836202930952 28.085 > 12 49 Si 0.45371525261327 0.22561938339667 0.12463873013142 28.085 > 13 50 Si 0.45371525261327 0.72561938339667 0.12463873013142 28.085 > 13 51 Si 0.45371525261327 0.22561938339667 0.62463873013142 28.085 > 13 52 Si 0.45371525261327 0.72561938339667 0.62463873013142 28.085 > 13 53 Si 0.54628474738673 0.27438061660333 0.37463873013142 28.085 > 14 54 Si 0.54628474738673 0.77438061660333 0.37463873013142 28.085 > 14 55 Si 0.54628474738673 0.27438061660333 0.87463873013142 28.085 > 14 56 Si 0.54628474738673 0.77438061660333 0.87463873013142 28.085 > 14 57 Si 0.69303409370835 0.31487295453873 0.02836202930952 28.085 > 15 58 Si 0.69303409370835 0.81487295453873 0.02836202930952 28.085 > 15 59 Si 0.69303409370835 0.31487295453873 0.52836202930952 28.085 > 15 60 Si 0.69303409370835 0.81487295453873 0.52836202930952 28.085 > 15 61 Si 0.04628474738673 0.22561938339667 0.37463873013142 28.085 > 16 62 Si 0.04628474738673 0.72561938339667 0.37463873013142 28.085 > 16 63 Si 0.04628474738673 0.22561938339667 0.87463873013142 28.085 > 16 64 Si 0.04628474738673 0.72561938339667 0.87463873013142 28.085 > 16 *65 O 0.73368628630379 0.44659338742927 0.00045560916757 15.999 > 17 66 O 0.73368628630379 0.94659338742927 0.00045560916757 15.999 > 17 67 O 0.73368628630379 0.44659338742927 0.50045560916757 15.999 > 17 68 O 0.73368628630379 0.94659338742927 0.50045560916757 15.999 > 17 *69 O 0.99964286277042 0.08903616804057 0.37319613665720 15.999 > 18 70 O 0.99964286277042 0.58903616804057 0.37319613665720 15.999 > 18 71 O 0.99964286277042 0.08903616804057 0.87319613665720 15.999 > 18 72 O 0.99964286277042 0.58903616804057 0.87319613665720 15.999 > 18 *73 O 0.91764915519984 0.32160631776559 0.35561887468659 15.999 > 19 74 O 0.91764915519984 0.82160631776559 0.35561887468659 15.999 > 19 75 O 0.91764915519984 0.32160631776559 0.85561887468659 15.999 > 19 76 O 0.91764915519984 0.82160631776559 0.85561887468659 15.999 > 19 77 O 0.00035713722958 0.41096383195943 0.12319613665720 15.999 > 20 78 O 0.00035713722958 0.91096383195943 0.12319613665720 15.999 > 20 79 O 0.00035713722958 0.41096383195943 0.62319613665720 15.999 > 20 80 O 0.00035713722958 0.91096383195943 0.62319613665720 15.999 > 20 81 O 0.41764915519984 0.17839368223441 0.35561887468659 15.999 > 21 82 O 0.41764915519984 0.67839368223441 0.35561887468659 15.999 > 21 83 O 0.41764915519984 0.17839368223441 0.85561887468659 15.999 > 21 84 O 0.41764915519984 0.67839368223441 0.85561887468659 15.999 > 21 *85 O 0.88597155864025 0.22783185721937 0.21100226794509 15.999 > 22 86 O 0.88597155864025 0.72783185721937 0.21100226794509 15.999 > 22 87 O 0.88597155864025 0.22783185721937 0.71100226794509 15.999 > 22 88 O 0.88597155864025 0.72783185721937 0.71100226794509 15.999 > 22 89 O 0.23368628630379 0.05340661257073 0.00045560916757 15.999 > 23 90 O 0.23368628630379 0.55340661257073 0.00045560916757 15.999 > 23 91 O 0.23368628630379 0.05340661257073 0.50045560916757 15.999 > 23 92 O 0.23368628630379 0.55340661257073 0.50045560916757 15.999 > 23 *93 O 0.67041260346465 0.23486898225972 0.30914750300470 15.999 > 24 94 O 0.67041260346465 0.73486898225972 0.30914750300470 15.999 > 24 95 O 0.67041260346465 0.23486898225972 0.80914750300470 15.999 > 24 96 O 0.67041260346465 0.73486898225972 0.80914750300470 15.999 > 24 97 O 0.08235084480016 0.17839368223441 0.10561887468659 15.999 > 25 98 O 0.08235084480016 0.67839368223441 0.10561887468659 15.999 > 25 99 O 0.08235084480016 0.17839368223441 0.60561887468659 15.999 > 25 100 O 0.08235084480016 0.67839368223441 0.60561887468659 15.999 > 25 101 O 0.32958739653535 0.26513101774028 0.05914750300470 15.999 > 26 102 O 0.32958739653535 0.76513101774028 0.05914750300470 15.999 > 26 103 O 0.32958739653535 0.26513101774028 0.55914750300470 15.999 > 26 104 O 0.32958739653535 0.76513101774028 0.55914750300470 15.999 > 26 105 O 0.82958739653535 0.23486898225972 0.05914750300470 15.999 > 27 106 O 0.82958739653535 0.73486898225972 0.05914750300470 15.999 > 27 107 O 0.82958739653535 0.23486898225972 0.55914750300470 15.999 > 27 108 O 0.82958739653535 0.73486898225972 0.55914750300470 15.999 > 27 109 O 0.76631371369621 0.44659338742927 0.25045560916757 15.999 > 28 110 O 0.76631371369621 0.94659338742927 0.25045560916757 15.999 > 28 111 O 0.76631371369621 0.44659338742927 0.75045560916757 15.999 > 28 112 O 0.76631371369621 0.94659338742927 0.75045560916757 15.999 > 28 113 O 0.26631371369621 0.05340661257073 0.25045560916757 15.999 > 29 114 O 0.26631371369621 0.55340661257073 0.25045560916757 15.999 > 29 115 O 0.26631371369621 0.05340661257073 0.75045560916757 15.999 > 29 116 O 0.26631371369621 0.55340661257073 0.75045560916757 15.999 > 29 117 O 0.38597155864025 0.27216814278063 0.21100226794509 15.999 > 30 118 O 0.38597155864025 0.77216814278063 0.21100226794509 15.999 > 30 119 O 0.38597155864025 0.27216814278063 0.71100226794509 15.999 > 30 120 O 0.38597155864025 0.77216814278063 0.71100226794509 15.999 > 30 121 O 0.50035713722958 0.08903616804057 0.12319613665720 15.999 > 31 122 O 0.50035713722958 0.58903616804057 0.12319613665720 15.999 > 31 123 O 0.50035713722958 0.08903616804057 0.62319613665720 15.999 > 31 124 O 0.50035713722958 0.58903616804057 0.62319613665720 15.999 > 31 125 O 0.17041260346465 0.26513101774028 0.30914750300470 15.999 > 32 126 O 0.17041260346465 0.76513101774028 0.30914750300470 15.999 > 32 127 O 0.17041260346465 0.26513101774028 0.80914750300470 15.999 > 32 128 O 0.17041260346465 0.76513101774028 0.80914750300470 15.999 > 32 129 O 0.49964286277042 0.41096383195943 0.37319613665720 15.999 > 33 130 O 0.49964286277042 0.91096383195943 0.37319613665720 15.999 > 33 131 O 0.49964286277042 0.41096383195943 0.87319613665720 15.999 > 33 132 O 0.49964286277042 0.91096383195943 0.87319613665720 15.999 > 33 133 O 0.11402844135975 0.27216814278063 0.46100226794509 15.999 > 34 134 O 0.11402844135975 0.77216814278063 0.46100226794509 15.999 > 34 135 O 0.11402844135975 0.27216814278063 0.96100226794509 15.999 > 34 136 O 0.11402844135975 0.77216814278063 0.96100226794509 15.999 > 34 137 O 0.58235084480016 0.32160631776559 0.10561887468659 15.999 > 35 138 O 0.58235084480016 0.82160631776559 0.10561887468659 15.999 > 35 139 O 0.58235084480016 0.32160631776559 0.60561887468659 15.999 > 35 140 O 0.58235084480016 0.82160631776559 0.60561887468659 15.999 > 35 141 O 0.61402844135975 0.22783185721937 0.46100226794509 15.999 > 36 142 O 0.61402844135975 0.72783185721937 0.46100226794509 15.999 > 36 143 O 0.61402844135975 0.22783185721937 0.96100226794509 15.999 > 36 144 O 0.61402844135975 0.72783185721937 0.96100226794509 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5672848 0.0000000 0.0000000 0.0000000 2.4778612 0.0000000 0.0000000 0.0000000 2.5631647 -------------------------- Born effective charges -------------------------- 1 Na 1.0459273 0.0829692 0.0546891 0.1438634 1.1812186 0.0692181 -0.0060640 0.0178195 1.0607518 2 Na 1.0727080 0.0119272 -0.0635410 0.0525596 1.2574202 -0.0103125 -0.0340489 0.0027739 1.0219541 3 Na 1.0727080 -0.0119272 -0.0635410 -0.0525596 1.2574202 0.0103125 -0.0340489 -0.0027739 1.0219541 4 Na 1.0727080 0.0119272 0.0635410 0.0525596 1.2574202 0.0103125 0.0340489 -0.0027739 1.0219541 5 Na 1.0459273 -0.0829692 0.0546891 -0.1438634 1.1812186 -0.0692181 -0.0060640 -0.0178195 1.0607518 6 Na 1.0459273 -0.0829692 -0.0546891 -0.1438634 1.1812186 0.0692181 0.0060640 0.0178195 1.0607518 7 Na 1.0459273 0.0829692 -0.0546891 0.1438634 1.1812186 -0.0692181 0.0060640 -0.0178195 1.0607518 8 Na 1.0727080 -0.0119272 0.0635410 -0.0525596 1.2574202 -0.0103125 0.0340489 0.0027739 1.0219541 9 Si 3.1512455 -0.1503339 0.0006875 -0.2127357 2.4796156 0.0846799 -0.2980614 0.1465395 3.1714141 10 Si 3.1847506 0.0192690 -0.0277859 -0.2078213 2.4252348 0.2219838 0.2801454 0.0236924 3.1092879 11 Si 3.1847506 -0.0192690 0.0277859 0.2078213 2.4252348 0.2219838 -0.2801454 0.0236924 3.1092879 12 Si 3.1847506 0.0192690 0.0277859 -0.2078213 2.4252348 -0.2219838 -0.2801454 -0.0236924 3.1092879 13 Si 3.1512455 0.1503339 0.0006875 0.2127357 2.4796156 -0.0846799 -0.2980614 -0.1465395 3.1714141 14 Si 3.1512455 0.1503339 -0.0006875 0.2127357 2.4796156 0.0846799 0.2980614 0.1465395 3.1714141 15 Si 3.1847506 -0.0192690 -0.0277859 0.2078213 2.4252348 -0.2219838 0.2801454 -0.0236924 3.1092879 16 Si 3.1512455 -0.1503339 -0.0006875 -0.2127357 2.4796156 -0.0846799 0.2980614 -0.1465395 3.1714141 17 O -1.3990606 -0.1295561 0.0193550 -0.1371213 -1.6948541 0.1565382 -0.0332891 0.1602958 -1.4064946 18 O -1.4207836 -0.1442245 -0.0135550 -0.1945467 -1.7224418 0.0247422 -0.0682488 0.0617632 -1.3539292 19 O -2.0358427 0.5146447 -0.6578235 0.4366163 -1.3534289 0.2017762 -0.5825981 0.1899227 -1.6691791 20 O -1.4207836 -0.1442245 0.0135550 -0.1945467 -1.7224418 -0.0247422 0.0682488 -0.0617632 -1.3539292 21 O -2.0358427 -0.5146447 -0.6578235 -0.4366163 -1.3534289 -0.2017762 -0.5825981 -0.1899227 -1.6691791 22 O -1.3672961 0.1577609 0.4105635 0.1597126 -1.3230044 -0.0658330 0.6414190 -0.1392892 -2.3664159 23 O -1.3990606 0.1295561 0.0193550 0.1371213 -1.6948541 -0.1565382 -0.0332891 -0.1602958 -1.4064946 24 O -2.2316483 -0.2005414 0.6751753 -0.1406145 -1.2497600 0.0798288 0.6453175 0.0613362 -1.5673890 25 O -2.0358427 0.5146447 0.6578235 0.4366163 -1.3534289 -0.2017762 0.5825981 -0.1899227 -1.6691791 26 O -2.2316483 -0.2005414 -0.6751753 -0.1406145 -1.2497600 -0.0798288 -0.6453175 -0.0613362 -1.5673890 27 O -2.2316483 0.2005414 -0.6751753 0.1406145 -1.2497600 0.0798288 -0.6453175 0.0613362 -1.5673890 28 O -1.3990606 0.1295561 -0.0193550 0.1371213 -1.6948541 0.1565382 0.0332891 0.1602958 -1.4064946 29 O -1.3990606 -0.1295561 -0.0193550 -0.1371213 -1.6948541 -0.1565382 0.0332891 -0.1602958 -1.4064946 30 O -1.3672961 -0.1577609 0.4105635 -0.1597126 -1.3230044 0.0658330 0.6414190 0.1392892 -2.3664159 31 O -1.4207836 0.1442245 0.0135550 0.1945467 -1.7224418 0.0247422 0.0682488 0.0617632 -1.3539292 32 O -2.2316483 0.2005414 0.6751753 0.1406145 -1.2497600 -0.0798288 0.6453175 -0.0613362 -1.5673890 33 O -1.4207836 0.1442245 -0.0135550 0.1945467 -1.7224418 -0.0247422 -0.0682488 -0.0617632 -1.3539292 34 O -1.3672961 0.1577609 -0.4105635 0.1597126 -1.3230044 0.0658330 -0.6414190 0.1392892 -2.3664159 35 O -2.0358427 -0.5146447 0.6578235 -0.4366163 -1.3534289 0.2017762 0.5825981 0.1899227 -1.6691791 36 O -1.3672961 -0.1577609 -0.4105635 -0.1597126 -1.3230044 -0.0658330 -0.6414190 -0.1392892 -2.3664159 ---------------------------------------------------------------------------- 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: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 281), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 283), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 1120 - Time: 2.255 Solver_block: 200 / 1120 - Time: 2.127 Solver_block: 300 / 1120 - Time: 2.125 Solver_block: 400 / 1120 - Time: 2.127 Solver_block: 500 / 1120 - Time: 2.129 Solver_block: 600 / 1120 - Time: 2.130 Solver_block: 700 / 1120 - Time: 2.123 Solver_block: 800 / 1120 - Time: 2.127 Solver_block: 900 / 1120 - Time: 2.126 Solver_block: 1000 / 1120 - Time: 2.124 Solver_block: 1100 / 1120 - Time: 2.126 Solver_block: 1120 / 1120 - Time: 0.604 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.762 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 281), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 283), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zx) -0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:31:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:31:08]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.453960120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.579480950000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.383750049999998 Atomic positions (fractional): 1 Na 0.01072438242713 0.06252465042994 0.47792865617241 22.990 2 Na 0.75462950776952 0.08600665434479 0.75252905202343 22.990 3 Na 0.25462950776952 0.91399334565521 0.75252905202343 22.990 4 Na 0.24537049223048 0.91399334565521 0.25252905202343 22.990 5 Na 0.51072438242713 0.93747534957006 0.47792865617241 22.990 6 Na 0.48927561757287 0.06252465042994 0.97792865617241 22.990 7 Na 0.98927561757287 0.93747534957006 0.97792865617241 22.990 8 Na 0.74537049223048 0.08600665434479 0.25252905202343 22.990 9 Si 0.95371525261327 0.54876123320666 0.24927746026284 28.085 10 Si 0.19303409370835 0.37025409092255 0.05672405861904 28.085 11 Si 0.30696590629165 0.37025409092255 0.55672405861904 28.085 12 Si 0.80696590629165 0.62974590907745 0.55672405861904 28.085 13 Si 0.45371525261327 0.45123876679334 0.24927746026284 28.085 14 Si 0.54628474738673 0.54876123320666 0.74927746026284 28.085 15 Si 0.69303409370835 0.62974590907745 0.05672405861904 28.085 16 Si 0.04628474738673 0.45123876679334 0.74927746026284 28.085 17 O 0.73368628630379 0.89318677485854 0.00091121833514 15.999 18 O 0.99964286277042 0.17807233608114 0.74639227331439 15.999 19 O 0.91764915519984 0.64321263553118 0.71123774937319 15.999 20 O 0.00035713722958 0.82192766391886 0.24639227331439 15.999 21 O 0.41764915519984 0.35678736446882 0.71123774937319 15.999 22 O 0.88597155864025 0.45566371443873 0.42200453589018 15.999 23 O 0.23368628630379 0.10681322514146 0.00091121833514 15.999 24 O 0.67041260346465 0.46973796451943 0.61829500600939 15.999 25 O 0.08235084480016 0.35678736446882 0.21123774937319 15.999 26 O 0.32958739653535 0.53026203548057 0.11829500600939 15.999 27 O 0.82958739653535 0.46973796451943 0.11829500600939 15.999 28 O 0.76631371369621 0.89318677485854 0.50091121833514 15.999 29 O 0.26631371369621 0.10681322514146 0.50091121833514 15.999 30 O 0.38597155864025 0.54433628556127 0.42200453589018 15.999 31 O 0.50035713722958 0.17807233608114 0.24639227331439 15.999 32 O 0.17041260346465 0.53026203548057 0.61829500600939 15.999 33 O 0.49964286277042 0.82192766391886 0.74639227331439 15.999 34 O 0.11402844135975 0.54433628556127 0.92200453589018 15.999 35 O 0.58235084480016 0.64321263553118 0.21123774937319 15.999 36 O 0.61402844135975 0.45566371443873 0.92200453589018 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.453960120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.158961900000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.767500099999996 Atomic positions (fractional): 1 Na 0.01072438242713 0.03126232521497 0.23896432808620 22.990 > 1 2 Na 0.01072438242713 0.53126232521497 0.23896432808620 22.990 > 1 3 Na 0.01072438242713 0.03126232521497 0.73896432808621 22.990 > 1 4 Na 0.01072438242713 0.53126232521497 0.73896432808621 22.990 > 1 5 Na 0.75462950776952 0.04300332717239 0.37626452601172 22.990 > 5 6 Na 0.75462950776952 0.54300332717239 0.37626452601172 22.990 > 5 7 Na 0.75462950776952 0.04300332717239 0.87626452601172 22.990 > 5 8 Na 0.75462950776952 0.54300332717239 0.87626452601172 22.990 > 5 9 Na 0.25462950776952 0.45699667282761 0.37626452601172 22.990 > 9 10 Na 0.25462950776952 0.95699667282761 0.37626452601172 22.990 > 9 11 Na 0.25462950776952 0.45699667282761 0.87626452601172 22.990 > 9 12 Na 0.25462950776952 0.95699667282761 0.87626452601172 22.990 > 9 13 Na 0.24537049223048 0.45699667282761 0.12626452601172 22.990 > 13 14 Na 0.24537049223048 0.95699667282761 0.12626452601172 22.990 > 13 15 Na 0.24537049223048 0.45699667282761 0.62626452601172 22.990 > 13 16 Na 0.24537049223048 0.95699667282761 0.62626452601172 22.990 > 13 17 Na 0.51072438242713 0.46873767478503 0.23896432808620 22.990 > 17 18 Na 0.51072438242713 0.96873767478503 0.23896432808620 22.990 > 17 19 Na 0.51072438242713 0.46873767478503 0.73896432808621 22.990 > 17 20 Na 0.51072438242713 0.96873767478503 0.73896432808621 22.990 > 17 21 Na 0.48927561757287 0.03126232521497 0.48896432808620 22.990 > 21 22 Na 0.48927561757287 0.53126232521497 0.48896432808620 22.990 > 21 23 Na 0.48927561757287 0.03126232521497 0.98896432808621 22.990 > 21 24 Na 0.48927561757287 0.53126232521497 0.98896432808621 22.990 > 21 25 Na 0.98927561757287 0.46873767478503 0.48896432808620 22.990 > 25 26 Na 0.98927561757287 0.96873767478503 0.48896432808620 22.990 > 25 27 Na 0.98927561757287 0.46873767478503 0.98896432808621 22.990 > 25 28 Na 0.98927561757287 0.96873767478503 0.98896432808621 22.990 > 25 29 Na 0.74537049223048 0.04300332717239 0.12626452601172 22.990 > 29 30 Na 0.74537049223048 0.54300332717239 0.12626452601172 22.990 > 29 31 Na 0.74537049223048 0.04300332717239 0.62626452601172 22.990 > 29 32 Na 0.74537049223048 0.54300332717239 0.62626452601172 22.990 > 29 33 Si 0.95371525261327 0.27438061660333 0.12463873013142 28.085 > 33 34 Si 0.95371525261327 0.77438061660333 0.12463873013142 28.085 > 33 35 Si 0.95371525261327 0.27438061660333 0.62463873013142 28.085 > 33 36 Si 0.95371525261327 0.77438061660333 0.62463873013142 28.085 > 33 37 Si 0.19303409370835 0.18512704546127 0.02836202930952 28.085 > 37 38 Si 0.19303409370835 0.68512704546127 0.02836202930952 28.085 > 37 39 Si 0.19303409370835 0.18512704546127 0.52836202930952 28.085 > 37 40 Si 0.19303409370835 0.68512704546127 0.52836202930952 28.085 > 37 41 Si 0.30696590629165 0.18512704546127 0.27836202930952 28.085 > 41 42 Si 0.30696590629165 0.68512704546127 0.27836202930952 28.085 > 41 43 Si 0.30696590629165 0.18512704546127 0.77836202930952 28.085 > 41 44 Si 0.30696590629165 0.68512704546127 0.77836202930952 28.085 > 41 45 Si 0.80696590629165 0.31487295453873 0.27836202930952 28.085 > 45 46 Si 0.80696590629165 0.81487295453873 0.27836202930952 28.085 > 45 47 Si 0.80696590629165 0.31487295453873 0.77836202930952 28.085 > 45 48 Si 0.80696590629165 0.81487295453873 0.77836202930952 28.085 > 45 49 Si 0.45371525261327 0.22561938339667 0.12463873013142 28.085 > 49 50 Si 0.45371525261327 0.72561938339667 0.12463873013142 28.085 > 49 51 Si 0.45371525261327 0.22561938339667 0.62463873013142 28.085 > 49 52 Si 0.45371525261327 0.72561938339667 0.62463873013142 28.085 > 49 53 Si 0.54628474738673 0.27438061660333 0.37463873013142 28.085 > 53 54 Si 0.54628474738673 0.77438061660333 0.37463873013142 28.085 > 53 55 Si 0.54628474738673 0.27438061660333 0.87463873013142 28.085 > 53 56 Si 0.54628474738673 0.77438061660333 0.87463873013142 28.085 > 53 57 Si 0.69303409370835 0.31487295453873 0.02836202930952 28.085 > 57 58 Si 0.69303409370835 0.81487295453873 0.02836202930952 28.085 > 57 59 Si 0.69303409370835 0.31487295453873 0.52836202930952 28.085 > 57 60 Si 0.69303409370835 0.81487295453873 0.52836202930952 28.085 > 57 61 Si 0.04628474738673 0.22561938339667 0.37463873013142 28.085 > 61 62 Si 0.04628474738673 0.72561938339667 0.37463873013142 28.085 > 61 63 Si 0.04628474738673 0.22561938339667 0.87463873013142 28.085 > 61 64 Si 0.04628474738673 0.72561938339667 0.87463873013142 28.085 > 61 65 O 0.73368628630379 0.44659338742927 0.00045560916757 15.999 > 65 66 O 0.73368628630379 0.94659338742927 0.00045560916757 15.999 > 65 67 O 0.73368628630379 0.44659338742927 0.50045560916757 15.999 > 65 68 O 0.73368628630379 0.94659338742927 0.50045560916757 15.999 > 65 69 O 0.99964286277042 0.08903616804057 0.37319613665720 15.999 > 69 70 O 0.99964286277042 0.58903616804057 0.37319613665720 15.999 > 69 71 O 0.99964286277042 0.08903616804057 0.87319613665720 15.999 > 69 72 O 0.99964286277042 0.58903616804057 0.87319613665720 15.999 > 69 73 O 0.91764915519984 0.32160631776559 0.35561887468659 15.999 > 73 74 O 0.91764915519984 0.82160631776559 0.35561887468659 15.999 > 73 75 O 0.91764915519984 0.32160631776559 0.85561887468659 15.999 > 73 76 O 0.91764915519984 0.82160631776559 0.85561887468659 15.999 > 73 77 O 0.00035713722958 0.41096383195943 0.12319613665720 15.999 > 77 78 O 0.00035713722958 0.91096383195943 0.12319613665720 15.999 > 77 79 O 0.00035713722958 0.41096383195943 0.62319613665720 15.999 > 77 80 O 0.00035713722958 0.91096383195943 0.62319613665720 15.999 > 77 81 O 0.41764915519984 0.17839368223441 0.35561887468659 15.999 > 81 82 O 0.41764915519984 0.67839368223441 0.35561887468659 15.999 > 81 83 O 0.41764915519984 0.17839368223441 0.85561887468659 15.999 > 81 84 O 0.41764915519984 0.67839368223441 0.85561887468659 15.999 > 81 85 O 0.88597155864025 0.22783185721937 0.21100226794509 15.999 > 85 86 O 0.88597155864025 0.72783185721937 0.21100226794509 15.999 > 85 87 O 0.88597155864025 0.22783185721937 0.71100226794509 15.999 > 85 88 O 0.88597155864025 0.72783185721937 0.71100226794509 15.999 > 85 89 O 0.23368628630379 0.05340661257073 0.00045560916757 15.999 > 89 90 O 0.23368628630379 0.55340661257073 0.00045560916757 15.999 > 89 91 O 0.23368628630379 0.05340661257073 0.50045560916757 15.999 > 89 92 O 0.23368628630379 0.55340661257073 0.50045560916757 15.999 > 89 93 O 0.67041260346465 0.23486898225972 0.30914750300470 15.999 > 93 94 O 0.67041260346465 0.73486898225972 0.30914750300470 15.999 > 93 95 O 0.67041260346465 0.23486898225972 0.80914750300470 15.999 > 93 96 O 0.67041260346465 0.73486898225972 0.80914750300470 15.999 > 93 97 O 0.08235084480016 0.17839368223441 0.10561887468659 15.999 > 97 98 O 0.08235084480016 0.67839368223441 0.10561887468659 15.999 > 97 99 O 0.08235084480016 0.17839368223441 0.60561887468659 15.999 > 97 100 O 0.08235084480016 0.67839368223441 0.60561887468659 15.999 > 97 101 O 0.32958739653535 0.26513101774028 0.05914750300470 15.999 > 101 102 O 0.32958739653535 0.76513101774028 0.05914750300470 15.999 > 101 103 O 0.32958739653535 0.26513101774028 0.55914750300470 15.999 > 101 104 O 0.32958739653535 0.76513101774028 0.55914750300470 15.999 > 101 105 O 0.82958739653535 0.23486898225972 0.05914750300470 15.999 > 105 106 O 0.82958739653535 0.73486898225972 0.05914750300470 15.999 > 105 107 O 0.82958739653535 0.23486898225972 0.55914750300470 15.999 > 105 108 O 0.82958739653535 0.73486898225972 0.55914750300470 15.999 > 105 109 O 0.76631371369621 0.44659338742927 0.25045560916757 15.999 > 109 110 O 0.76631371369621 0.94659338742927 0.25045560916757 15.999 > 109 111 O 0.76631371369621 0.44659338742927 0.75045560916757 15.999 > 109 112 O 0.76631371369621 0.94659338742927 0.75045560916757 15.999 > 109 113 O 0.26631371369621 0.05340661257073 0.25045560916757 15.999 > 113 114 O 0.26631371369621 0.55340661257073 0.25045560916757 15.999 > 113 115 O 0.26631371369621 0.05340661257073 0.75045560916757 15.999 > 113 116 O 0.26631371369621 0.55340661257073 0.75045560916757 15.999 > 113 117 O 0.38597155864025 0.27216814278063 0.21100226794509 15.999 > 117 118 O 0.38597155864025 0.77216814278063 0.21100226794509 15.999 > 117 119 O 0.38597155864025 0.27216814278063 0.71100226794509 15.999 > 117 120 O 0.38597155864025 0.77216814278063 0.71100226794509 15.999 > 117 121 O 0.50035713722958 0.08903616804057 0.12319613665720 15.999 > 121 122 O 0.50035713722958 0.58903616804057 0.12319613665720 15.999 > 121 123 O 0.50035713722958 0.08903616804057 0.62319613665720 15.999 > 121 124 O 0.50035713722958 0.58903616804057 0.62319613665720 15.999 > 121 125 O 0.17041260346465 0.26513101774028 0.30914750300470 15.999 > 125 126 O 0.17041260346465 0.76513101774028 0.30914750300470 15.999 > 125 127 O 0.17041260346465 0.26513101774028 0.80914750300470 15.999 > 125 128 O 0.17041260346465 0.76513101774028 0.80914750300470 15.999 > 125 129 O 0.49964286277042 0.41096383195943 0.37319613665720 15.999 > 129 130 O 0.49964286277042 0.91096383195943 0.37319613665720 15.999 > 129 131 O 0.49964286277042 0.41096383195943 0.87319613665720 15.999 > 129 132 O 0.49964286277042 0.91096383195943 0.87319613665720 15.999 > 129 133 O 0.11402844135975 0.27216814278063 0.46100226794509 15.999 > 133 134 O 0.11402844135975 0.77216814278063 0.46100226794509 15.999 > 133 135 O 0.11402844135975 0.27216814278063 0.96100226794509 15.999 > 133 136 O 0.11402844135975 0.77216814278063 0.96100226794509 15.999 > 133 137 O 0.58235084480016 0.32160631776559 0.10561887468659 15.999 > 137 138 O 0.58235084480016 0.82160631776559 0.10561887468659 15.999 > 137 139 O 0.58235084480016 0.32160631776559 0.60561887468659 15.999 > 137 140 O 0.58235084480016 0.82160631776559 0.60561887468659 15.999 > 137 141 O 0.61402844135975 0.22783185721937 0.46100226794509 15.999 > 141 142 O 0.61402844135975 0.72783185721937 0.46100226794509 15.999 > 141 143 O 0.61402844135975 0.22783185721937 0.96100226794509 15.999 > 141 144 O 0.61402844135975 0.72783185721937 0.96100226794509 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5672848 0.0000000 0.0000000 0.0000000 2.4778612 0.0000000 0.0000000 0.0000000 2.5631647 -------------------------- Born effective charges -------------------------- 1 Na 1.0459273 0.0829692 0.0546891 0.1438634 1.1812186 0.0692181 -0.0060640 0.0178195 1.0607518 2 Na 1.0727080 0.0119272 -0.0635410 0.0525596 1.2574202 -0.0103125 -0.0340489 0.0027739 1.0219541 3 Na 1.0727080 -0.0119272 -0.0635410 -0.0525596 1.2574202 0.0103125 -0.0340489 -0.0027739 1.0219541 4 Na 1.0727080 0.0119272 0.0635410 0.0525596 1.2574202 0.0103125 0.0340489 -0.0027739 1.0219541 5 Na 1.0459273 -0.0829692 0.0546891 -0.1438634 1.1812186 -0.0692181 -0.0060640 -0.0178195 1.0607518 6 Na 1.0459273 -0.0829692 -0.0546891 -0.1438634 1.1812186 0.0692181 0.0060640 0.0178195 1.0607518 7 Na 1.0459273 0.0829692 -0.0546891 0.1438634 1.1812186 -0.0692181 0.0060640 -0.0178195 1.0607518 8 Na 1.0727080 -0.0119272 0.0635410 -0.0525596 1.2574202 -0.0103125 0.0340489 0.0027739 1.0219541 9 Si 3.1512455 -0.1503339 0.0006875 -0.2127357 2.4796156 0.0846799 -0.2980614 0.1465395 3.1714141 10 Si 3.1847506 0.0192690 -0.0277859 -0.2078213 2.4252348 0.2219838 0.2801454 0.0236924 3.1092879 11 Si 3.1847506 -0.0192690 0.0277859 0.2078213 2.4252348 0.2219838 -0.2801454 0.0236924 3.1092879 12 Si 3.1847506 0.0192690 0.0277859 -0.2078213 2.4252348 -0.2219838 -0.2801454 -0.0236924 3.1092879 13 Si 3.1512455 0.1503339 0.0006875 0.2127357 2.4796156 -0.0846799 -0.2980614 -0.1465395 3.1714141 14 Si 3.1512455 0.1503339 -0.0006875 0.2127357 2.4796156 0.0846799 0.2980614 0.1465395 3.1714141 15 Si 3.1847506 -0.0192690 -0.0277859 0.2078213 2.4252348 -0.2219838 0.2801454 -0.0236924 3.1092879 16 Si 3.1512455 -0.1503339 -0.0006875 -0.2127357 2.4796156 -0.0846799 0.2980614 -0.1465395 3.1714141 17 O -1.3990606 -0.1295561 0.0193550 -0.1371213 -1.6948541 0.1565382 -0.0332891 0.1602958 -1.4064946 18 O -1.4207836 -0.1442245 -0.0135550 -0.1945467 -1.7224418 0.0247422 -0.0682488 0.0617632 -1.3539292 19 O -2.0358427 0.5146447 -0.6578235 0.4366163 -1.3534289 0.2017762 -0.5825981 0.1899227 -1.6691791 20 O -1.4207836 -0.1442245 0.0135550 -0.1945467 -1.7224418 -0.0247422 0.0682488 -0.0617632 -1.3539292 21 O -2.0358427 -0.5146447 -0.6578235 -0.4366163 -1.3534289 -0.2017762 -0.5825981 -0.1899227 -1.6691791 22 O -1.3672961 0.1577609 0.4105635 0.1597126 -1.3230044 -0.0658330 0.6414190 -0.1392892 -2.3664159 23 O -1.3990606 0.1295561 0.0193550 0.1371213 -1.6948541 -0.1565382 -0.0332891 -0.1602958 -1.4064946 24 O -2.2316483 -0.2005414 0.6751753 -0.1406145 -1.2497600 0.0798288 0.6453175 0.0613362 -1.5673890 25 O -2.0358427 0.5146447 0.6578235 0.4366163 -1.3534289 -0.2017762 0.5825981 -0.1899227 -1.6691791 26 O -2.2316483 -0.2005414 -0.6751753 -0.1406145 -1.2497600 -0.0798288 -0.6453175 -0.0613362 -1.5673890 27 O -2.2316483 0.2005414 -0.6751753 0.1406145 -1.2497600 0.0798288 -0.6453175 0.0613362 -1.5673890 28 O -1.3990606 0.1295561 -0.0193550 0.1371213 -1.6948541 0.1565382 0.0332891 0.1602958 -1.4064946 29 O -1.3990606 -0.1295561 -0.0193550 -0.1371213 -1.6948541 -0.1565382 0.0332891 -0.1602958 -1.4064946 30 O -1.3672961 -0.1577609 0.4105635 -0.1597126 -1.3230044 0.0658330 0.6414190 0.1392892 -2.3664159 31 O -1.4207836 0.1442245 0.0135550 0.1945467 -1.7224418 0.0247422 0.0682488 0.0617632 -1.3539292 32 O -2.2316483 0.2005414 0.6751753 0.1406145 -1.2497600 -0.0798288 0.6453175 -0.0613362 -1.5673890 33 O -1.4207836 0.1442245 -0.0135550 0.1945467 -1.7224418 -0.0247422 -0.0682488 -0.0617632 -1.3539292 34 O -1.3672961 0.1577609 -0.4105635 0.1597126 -1.3230044 0.0658330 -0.6414190 0.1392892 -2.3664159 35 O -2.0358427 -0.5146447 0.6578235 -0.4366163 -1.3534289 0.2017762 0.5825981 0.1899227 -1.6691791 36 O -1.3672961 -0.1577609 -0.4105635 -0.1597126 -1.3230044 -0.0658330 -0.6414190 -0.1392892 -2.3664159 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 93, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:32:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:32:17]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.453960120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.579480950000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.383750049999998 Atomic positions (fractional): 1 Na 0.01072438242713 0.06252465042994 0.47792865617241 22.990 2 Na 0.75462950776952 0.08600665434479 0.75252905202343 22.990 3 Na 0.25462950776952 0.91399334565521 0.75252905202343 22.990 4 Na 0.24537049223048 0.91399334565521 0.25252905202343 22.990 5 Na 0.51072438242713 0.93747534957006 0.47792865617241 22.990 6 Na 0.48927561757287 0.06252465042994 0.97792865617241 22.990 7 Na 0.98927561757287 0.93747534957006 0.97792865617241 22.990 8 Na 0.74537049223048 0.08600665434479 0.25252905202343 22.990 9 Si 0.95371525261327 0.54876123320666 0.24927746026284 28.085 10 Si 0.19303409370835 0.37025409092255 0.05672405861904 28.085 11 Si 0.30696590629165 0.37025409092255 0.55672405861904 28.085 12 Si 0.80696590629165 0.62974590907745 0.55672405861904 28.085 13 Si 0.45371525261327 0.45123876679334 0.24927746026284 28.085 14 Si 0.54628474738673 0.54876123320666 0.74927746026284 28.085 15 Si 0.69303409370835 0.62974590907745 0.05672405861904 28.085 16 Si 0.04628474738673 0.45123876679334 0.74927746026284 28.085 17 O 0.73368628630379 0.89318677485854 0.00091121833514 15.999 18 O 0.99964286277042 0.17807233608114 0.74639227331439 15.999 19 O 0.91764915519984 0.64321263553118 0.71123774937319 15.999 20 O 0.00035713722958 0.82192766391886 0.24639227331439 15.999 21 O 0.41764915519984 0.35678736446882 0.71123774937319 15.999 22 O 0.88597155864025 0.45566371443873 0.42200453589018 15.999 23 O 0.23368628630379 0.10681322514146 0.00091121833514 15.999 24 O 0.67041260346465 0.46973796451943 0.61829500600939 15.999 25 O 0.08235084480016 0.35678736446882 0.21123774937319 15.999 26 O 0.32958739653535 0.53026203548057 0.11829500600939 15.999 27 O 0.82958739653535 0.46973796451943 0.11829500600939 15.999 28 O 0.76631371369621 0.89318677485854 0.50091121833514 15.999 29 O 0.26631371369621 0.10681322514146 0.50091121833514 15.999 30 O 0.38597155864025 0.54433628556127 0.42200453589018 15.999 31 O 0.50035713722958 0.17807233608114 0.24639227331439 15.999 32 O 0.17041260346465 0.53026203548057 0.61829500600939 15.999 33 O 0.49964286277042 0.82192766391886 0.74639227331439 15.999 34 O 0.11402844135975 0.54433628556127 0.92200453589018 15.999 35 O 0.58235084480016 0.64321263553118 0.21123774937319 15.999 36 O 0.61402844135975 0.45566371443873 0.92200453589018 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.453960120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.158961900000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.767500099999996 Atomic positions (fractional): 1 Na 0.01072438242713 0.03126232521497 0.23896432808620 22.990 > 1 2 Na 0.01072438242713 0.53126232521497 0.23896432808620 22.990 > 1 3 Na 0.01072438242713 0.03126232521497 0.73896432808621 22.990 > 1 4 Na 0.01072438242713 0.53126232521497 0.73896432808621 22.990 > 1 5 Na 0.75462950776952 0.04300332717239 0.37626452601172 22.990 > 5 6 Na 0.75462950776952 0.54300332717239 0.37626452601172 22.990 > 5 7 Na 0.75462950776952 0.04300332717239 0.87626452601172 22.990 > 5 8 Na 0.75462950776952 0.54300332717239 0.87626452601172 22.990 > 5 9 Na 0.25462950776952 0.45699667282761 0.37626452601172 22.990 > 9 10 Na 0.25462950776952 0.95699667282761 0.37626452601172 22.990 > 9 11 Na 0.25462950776952 0.45699667282761 0.87626452601172 22.990 > 9 12 Na 0.25462950776952 0.95699667282761 0.87626452601172 22.990 > 9 13 Na 0.24537049223048 0.45699667282761 0.12626452601172 22.990 > 13 14 Na 0.24537049223048 0.95699667282761 0.12626452601172 22.990 > 13 15 Na 0.24537049223048 0.45699667282761 0.62626452601172 22.990 > 13 16 Na 0.24537049223048 0.95699667282761 0.62626452601172 22.990 > 13 17 Na 0.51072438242713 0.46873767478503 0.23896432808620 22.990 > 17 18 Na 0.51072438242713 0.96873767478503 0.23896432808620 22.990 > 17 19 Na 0.51072438242713 0.46873767478503 0.73896432808621 22.990 > 17 20 Na 0.51072438242713 0.96873767478503 0.73896432808621 22.990 > 17 21 Na 0.48927561757287 0.03126232521497 0.48896432808620 22.990 > 21 22 Na 0.48927561757287 0.53126232521497 0.48896432808620 22.990 > 21 23 Na 0.48927561757287 0.03126232521497 0.98896432808621 22.990 > 21 24 Na 0.48927561757287 0.53126232521497 0.98896432808621 22.990 > 21 25 Na 0.98927561757287 0.46873767478503 0.48896432808620 22.990 > 25 26 Na 0.98927561757287 0.96873767478503 0.48896432808620 22.990 > 25 27 Na 0.98927561757287 0.46873767478503 0.98896432808621 22.990 > 25 28 Na 0.98927561757287 0.96873767478503 0.98896432808621 22.990 > 25 29 Na 0.74537049223048 0.04300332717239 0.12626452601172 22.990 > 29 30 Na 0.74537049223048 0.54300332717239 0.12626452601172 22.990 > 29 31 Na 0.74537049223048 0.04300332717239 0.62626452601172 22.990 > 29 32 Na 0.74537049223048 0.54300332717239 0.62626452601172 22.990 > 29 33 Si 0.95371525261327 0.27438061660333 0.12463873013142 28.085 > 33 34 Si 0.95371525261327 0.77438061660333 0.12463873013142 28.085 > 33 35 Si 0.95371525261327 0.27438061660333 0.62463873013142 28.085 > 33 36 Si 0.95371525261327 0.77438061660333 0.62463873013142 28.085 > 33 37 Si 0.19303409370835 0.18512704546127 0.02836202930952 28.085 > 37 38 Si 0.19303409370835 0.68512704546127 0.02836202930952 28.085 > 37 39 Si 0.19303409370835 0.18512704546127 0.52836202930952 28.085 > 37 40 Si 0.19303409370835 0.68512704546127 0.52836202930952 28.085 > 37 41 Si 0.30696590629165 0.18512704546127 0.27836202930952 28.085 > 41 42 Si 0.30696590629165 0.68512704546127 0.27836202930952 28.085 > 41 43 Si 0.30696590629165 0.18512704546127 0.77836202930952 28.085 > 41 44 Si 0.30696590629165 0.68512704546127 0.77836202930952 28.085 > 41 45 Si 0.80696590629165 0.31487295453873 0.27836202930952 28.085 > 45 46 Si 0.80696590629165 0.81487295453873 0.27836202930952 28.085 > 45 47 Si 0.80696590629165 0.31487295453873 0.77836202930952 28.085 > 45 48 Si 0.80696590629165 0.81487295453873 0.77836202930952 28.085 > 45 49 Si 0.45371525261327 0.22561938339667 0.12463873013142 28.085 > 49 50 Si 0.45371525261327 0.72561938339667 0.12463873013142 28.085 > 49 51 Si 0.45371525261327 0.22561938339667 0.62463873013142 28.085 > 49 52 Si 0.45371525261327 0.72561938339667 0.62463873013142 28.085 > 49 53 Si 0.54628474738673 0.27438061660333 0.37463873013142 28.085 > 53 54 Si 0.54628474738673 0.77438061660333 0.37463873013142 28.085 > 53 55 Si 0.54628474738673 0.27438061660333 0.87463873013142 28.085 > 53 56 Si 0.54628474738673 0.77438061660333 0.87463873013142 28.085 > 53 57 Si 0.69303409370835 0.31487295453873 0.02836202930952 28.085 > 57 58 Si 0.69303409370835 0.81487295453873 0.02836202930952 28.085 > 57 59 Si 0.69303409370835 0.31487295453873 0.52836202930952 28.085 > 57 60 Si 0.69303409370835 0.81487295453873 0.52836202930952 28.085 > 57 61 Si 0.04628474738673 0.22561938339667 0.37463873013142 28.085 > 61 62 Si 0.04628474738673 0.72561938339667 0.37463873013142 28.085 > 61 63 Si 0.04628474738673 0.22561938339667 0.87463873013142 28.085 > 61 64 Si 0.04628474738673 0.72561938339667 0.87463873013142 28.085 > 61 65 O 0.73368628630379 0.44659338742927 0.00045560916757 15.999 > 65 66 O 0.73368628630379 0.94659338742927 0.00045560916757 15.999 > 65 67 O 0.73368628630379 0.44659338742927 0.50045560916757 15.999 > 65 68 O 0.73368628630379 0.94659338742927 0.50045560916757 15.999 > 65 69 O 0.99964286277042 0.08903616804057 0.37319613665720 15.999 > 69 70 O 0.99964286277042 0.58903616804057 0.37319613665720 15.999 > 69 71 O 0.99964286277042 0.08903616804057 0.87319613665720 15.999 > 69 72 O 0.99964286277042 0.58903616804057 0.87319613665720 15.999 > 69 73 O 0.91764915519984 0.32160631776559 0.35561887468659 15.999 > 73 74 O 0.91764915519984 0.82160631776559 0.35561887468659 15.999 > 73 75 O 0.91764915519984 0.32160631776559 0.85561887468659 15.999 > 73 76 O 0.91764915519984 0.82160631776559 0.85561887468659 15.999 > 73 77 O 0.00035713722958 0.41096383195943 0.12319613665720 15.999 > 77 78 O 0.00035713722958 0.91096383195943 0.12319613665720 15.999 > 77 79 O 0.00035713722958 0.41096383195943 0.62319613665720 15.999 > 77 80 O 0.00035713722958 0.91096383195943 0.62319613665720 15.999 > 77 81 O 0.41764915519984 0.17839368223441 0.35561887468659 15.999 > 81 82 O 0.41764915519984 0.67839368223441 0.35561887468659 15.999 > 81 83 O 0.41764915519984 0.17839368223441 0.85561887468659 15.999 > 81 84 O 0.41764915519984 0.67839368223441 0.85561887468659 15.999 > 81 85 O 0.88597155864025 0.22783185721937 0.21100226794509 15.999 > 85 86 O 0.88597155864025 0.72783185721937 0.21100226794509 15.999 > 85 87 O 0.88597155864025 0.22783185721937 0.71100226794509 15.999 > 85 88 O 0.88597155864025 0.72783185721937 0.71100226794509 15.999 > 85 89 O 0.23368628630379 0.05340661257073 0.00045560916757 15.999 > 89 90 O 0.23368628630379 0.55340661257073 0.00045560916757 15.999 > 89 91 O 0.23368628630379 0.05340661257073 0.50045560916757 15.999 > 89 92 O 0.23368628630379 0.55340661257073 0.50045560916757 15.999 > 89 93 O 0.67041260346465 0.23486898225972 0.30914750300470 15.999 > 93 94 O 0.67041260346465 0.73486898225972 0.30914750300470 15.999 > 93 95 O 0.67041260346465 0.23486898225972 0.80914750300470 15.999 > 93 96 O 0.67041260346465 0.73486898225972 0.80914750300470 15.999 > 93 97 O 0.08235084480016 0.17839368223441 0.10561887468659 15.999 > 97 98 O 0.08235084480016 0.67839368223441 0.10561887468659 15.999 > 97 99 O 0.08235084480016 0.17839368223441 0.60561887468659 15.999 > 97 100 O 0.08235084480016 0.67839368223441 0.60561887468659 15.999 > 97 101 O 0.32958739653535 0.26513101774028 0.05914750300470 15.999 > 101 102 O 0.32958739653535 0.76513101774028 0.05914750300470 15.999 > 101 103 O 0.32958739653535 0.26513101774028 0.55914750300470 15.999 > 101 104 O 0.32958739653535 0.76513101774028 0.55914750300470 15.999 > 101 105 O 0.82958739653535 0.23486898225972 0.05914750300470 15.999 > 105 106 O 0.82958739653535 0.73486898225972 0.05914750300470 15.999 > 105 107 O 0.82958739653535 0.23486898225972 0.55914750300470 15.999 > 105 108 O 0.82958739653535 0.73486898225972 0.55914750300470 15.999 > 105 109 O 0.76631371369621 0.44659338742927 0.25045560916757 15.999 > 109 110 O 0.76631371369621 0.94659338742927 0.25045560916757 15.999 > 109 111 O 0.76631371369621 0.44659338742927 0.75045560916757 15.999 > 109 112 O 0.76631371369621 0.94659338742927 0.75045560916757 15.999 > 109 113 O 0.26631371369621 0.05340661257073 0.25045560916757 15.999 > 113 114 O 0.26631371369621 0.55340661257073 0.25045560916757 15.999 > 113 115 O 0.26631371369621 0.05340661257073 0.75045560916757 15.999 > 113 116 O 0.26631371369621 0.55340661257073 0.75045560916757 15.999 > 113 117 O 0.38597155864025 0.27216814278063 0.21100226794509 15.999 > 117 118 O 0.38597155864025 0.77216814278063 0.21100226794509 15.999 > 117 119 O 0.38597155864025 0.27216814278063 0.71100226794509 15.999 > 117 120 O 0.38597155864025 0.77216814278063 0.71100226794509 15.999 > 117 121 O 0.50035713722958 0.08903616804057 0.12319613665720 15.999 > 121 122 O 0.50035713722958 0.58903616804057 0.12319613665720 15.999 > 121 123 O 0.50035713722958 0.08903616804057 0.62319613665720 15.999 > 121 124 O 0.50035713722958 0.58903616804057 0.62319613665720 15.999 > 121 125 O 0.17041260346465 0.26513101774028 0.30914750300470 15.999 > 125 126 O 0.17041260346465 0.76513101774028 0.30914750300470 15.999 > 125 127 O 0.17041260346465 0.26513101774028 0.80914750300470 15.999 > 125 128 O 0.17041260346465 0.76513101774028 0.80914750300470 15.999 > 125 129 O 0.49964286277042 0.41096383195943 0.37319613665720 15.999 > 129 130 O 0.49964286277042 0.91096383195943 0.37319613665720 15.999 > 129 131 O 0.49964286277042 0.41096383195943 0.87319613665720 15.999 > 129 132 O 0.49964286277042 0.91096383195943 0.87319613665720 15.999 > 129 133 O 0.11402844135975 0.27216814278063 0.46100226794509 15.999 > 133 134 O 0.11402844135975 0.77216814278063 0.46100226794509 15.999 > 133 135 O 0.11402844135975 0.27216814278063 0.96100226794509 15.999 > 133 136 O 0.11402844135975 0.77216814278063 0.96100226794509 15.999 > 133 137 O 0.58235084480016 0.32160631776559 0.10561887468659 15.999 > 137 138 O 0.58235084480016 0.82160631776559 0.10561887468659 15.999 > 137 139 O 0.58235084480016 0.32160631776559 0.60561887468659 15.999 > 137 140 O 0.58235084480016 0.82160631776559 0.60561887468659 15.999 > 137 141 O 0.61402844135975 0.22783185721937 0.46100226794509 15.999 > 141 142 O 0.61402844135975 0.72783185721937 0.46100226794509 15.999 > 141 143 O 0.61402844135975 0.22783185721937 0.96100226794509 15.999 > 141 144 O 0.61402844135975 0.72783185721937 0.96100226794509 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5672848 0.0000000 0.0000000 0.0000000 2.4778612 0.0000000 0.0000000 0.0000000 2.5631647 -------------------------- Born effective charges -------------------------- 1 Na 1.0459273 0.0829692 0.0546891 0.1438634 1.1812186 0.0692181 -0.0060640 0.0178195 1.0607518 2 Na 1.0727080 0.0119272 -0.0635410 0.0525596 1.2574202 -0.0103125 -0.0340489 0.0027739 1.0219541 3 Na 1.0727080 -0.0119272 -0.0635410 -0.0525596 1.2574202 0.0103125 -0.0340489 -0.0027739 1.0219541 4 Na 1.0727080 0.0119272 0.0635410 0.0525596 1.2574202 0.0103125 0.0340489 -0.0027739 1.0219541 5 Na 1.0459273 -0.0829692 0.0546891 -0.1438634 1.1812186 -0.0692181 -0.0060640 -0.0178195 1.0607518 6 Na 1.0459273 -0.0829692 -0.0546891 -0.1438634 1.1812186 0.0692181 0.0060640 0.0178195 1.0607518 7 Na 1.0459273 0.0829692 -0.0546891 0.1438634 1.1812186 -0.0692181 0.0060640 -0.0178195 1.0607518 8 Na 1.0727080 -0.0119272 0.0635410 -0.0525596 1.2574202 -0.0103125 0.0340489 0.0027739 1.0219541 9 Si 3.1512455 -0.1503339 0.0006875 -0.2127357 2.4796156 0.0846799 -0.2980614 0.1465395 3.1714141 10 Si 3.1847506 0.0192690 -0.0277859 -0.2078213 2.4252348 0.2219838 0.2801454 0.0236924 3.1092879 11 Si 3.1847506 -0.0192690 0.0277859 0.2078213 2.4252348 0.2219838 -0.2801454 0.0236924 3.1092879 12 Si 3.1847506 0.0192690 0.0277859 -0.2078213 2.4252348 -0.2219838 -0.2801454 -0.0236924 3.1092879 13 Si 3.1512455 0.1503339 0.0006875 0.2127357 2.4796156 -0.0846799 -0.2980614 -0.1465395 3.1714141 14 Si 3.1512455 0.1503339 -0.0006875 0.2127357 2.4796156 0.0846799 0.2980614 0.1465395 3.1714141 15 Si 3.1847506 -0.0192690 -0.0277859 0.2078213 2.4252348 -0.2219838 0.2801454 -0.0236924 3.1092879 16 Si 3.1512455 -0.1503339 -0.0006875 -0.2127357 2.4796156 -0.0846799 0.2980614 -0.1465395 3.1714141 17 O -1.3990606 -0.1295561 0.0193550 -0.1371213 -1.6948541 0.1565382 -0.0332891 0.1602958 -1.4064946 18 O -1.4207836 -0.1442245 -0.0135550 -0.1945467 -1.7224418 0.0247422 -0.0682488 0.0617632 -1.3539292 19 O -2.0358427 0.5146447 -0.6578235 0.4366163 -1.3534289 0.2017762 -0.5825981 0.1899227 -1.6691791 20 O -1.4207836 -0.1442245 0.0135550 -0.1945467 -1.7224418 -0.0247422 0.0682488 -0.0617632 -1.3539292 21 O -2.0358427 -0.5146447 -0.6578235 -0.4366163 -1.3534289 -0.2017762 -0.5825981 -0.1899227 -1.6691791 22 O -1.3672961 0.1577609 0.4105635 0.1597126 -1.3230044 -0.0658330 0.6414190 -0.1392892 -2.3664159 23 O -1.3990606 0.1295561 0.0193550 0.1371213 -1.6948541 -0.1565382 -0.0332891 -0.1602958 -1.4064946 24 O -2.2316483 -0.2005414 0.6751753 -0.1406145 -1.2497600 0.0798288 0.6453175 0.0613362 -1.5673890 25 O -2.0358427 0.5146447 0.6578235 0.4366163 -1.3534289 -0.2017762 0.5825981 -0.1899227 -1.6691791 26 O -2.2316483 -0.2005414 -0.6751753 -0.1406145 -1.2497600 -0.0798288 -0.6453175 -0.0613362 -1.5673890 27 O -2.2316483 0.2005414 -0.6751753 0.1406145 -1.2497600 0.0798288 -0.6453175 0.0613362 -1.5673890 28 O -1.3990606 0.1295561 -0.0193550 0.1371213 -1.6948541 0.1565382 0.0332891 0.1602958 -1.4064946 29 O -1.3990606 -0.1295561 -0.0193550 -0.1371213 -1.6948541 -0.1565382 0.0332891 -0.1602958 -1.4064946 30 O -1.3672961 -0.1577609 0.4105635 -0.1597126 -1.3230044 0.0658330 0.6414190 0.1392892 -2.3664159 31 O -1.4207836 0.1442245 0.0135550 0.1945467 -1.7224418 0.0247422 0.0682488 0.0617632 -1.3539292 32 O -2.2316483 0.2005414 0.6751753 0.1406145 -1.2497600 -0.0798288 0.6453175 -0.0613362 -1.5673890 33 O -1.4207836 0.1442245 -0.0135550 0.1945467 -1.7224418 -0.0247422 -0.0682488 -0.0617632 -1.3539292 34 O -1.3672961 0.1577609 -0.4105635 0.1597126 -1.3230044 0.0658330 -0.6414190 0.1392892 -2.3664159 35 O -2.0358427 -0.5146447 0.6578235 -0.4366163 -1.3534289 0.2017762 0.5825981 0.1899227 -1.6691791 36 O -1.3672961 -0.1577609 -0.4105635 -0.1597126 -1.3230044 -0.0658330 -0.6414190 -0.1392892 -2.3664159 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 289, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 2.397 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 -0.000) 0.000 3.658 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 -0.000) 0.000 4.003 ( 0.000 0.000 -0.000) 0.000 4.106 ( 0.000 0.000 -0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.600 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 -0.000) 0.000 4.964 ( 0.000 0.000 0.000) 0.000 4.986 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 -0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.222 ( 0.000 0.000 -0.000) 0.000 5.331 ( 0.000 0.000 -0.000) 0.000 5.739 ( 0.000 0.000 -0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 -0.000) 0.000 6.008 ( 0.000 0.000 -0.000) 0.000 6.316 ( 0.000 0.000 -0.000) 0.000 6.508 ( 0.000 0.000 -0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 -0.000) 0.000 7.319 ( 0.000 0.000 -0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.404 ( 0.000 0.000 -0.000) 0.000 7.660 ( 0.000 0.000 -0.000) 0.000 7.791 ( 0.000 0.000 -0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.317 ( 0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 0.000) 0.000 8.525 ( 0.000 0.000 0.000) 0.000 8.527 ( 0.000 0.000 0.000) 0.000 9.032 ( 0.000 0.000 0.000) 0.000 9.183 ( 0.000 0.000 0.000) 0.000 9.424 ( 0.000 0.000 0.000) 0.000 9.463 ( 0.000 0.000 0.000) 0.000 9.551 ( 0.000 0.000 0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 10.291 ( 0.000 0.000 -0.000) 0.000 10.388 ( 0.000 0.000 0.000) 0.000 10.607 ( 0.000 0.000 0.000) 0.000 10.692 ( 0.000 0.000 -0.000) 0.000 11.081 ( 0.000 0.000 -0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.196 ( 0.000 0.000 0.000) 0.000 12.795 ( 0.000 0.000 0.000) 0.000 13.189 ( 0.000 0.000 0.000) 0.000 13.210 ( 0.000 0.000 -0.000) 0.000 13.325 ( 0.000 0.000 0.000) 0.000 13.740 ( 0.000 0.000 0.000) 0.000 13.826 ( 0.000 0.000 0.000) 0.000 14.140 ( 0.000 0.000 0.000) 0.000 14.141 ( 0.000 0.000 0.000) 0.000 14.464 ( 0.000 0.000 0.000) 0.000 14.522 ( 0.000 0.000 0.000) 0.000 15.372 ( 0.000 0.000 -0.000) 0.000 15.724 ( 0.000 0.000 -0.000) 0.000 18.326 ( 0.000 0.000 -0.000) 0.000 18.519 ( 0.000 0.000 0.000) 0.000 18.943 ( 0.000 0.000 0.000) 0.000 19.219 ( 0.000 0.000 0.000) 0.000 20.123 ( 0.000 0.000 -0.000) 0.000 20.594 ( 0.000 0.000 0.000) 0.000 20.963 ( 0.000 0.000 0.000) 0.000 21.586 ( 0.000 0.000 0.000) 0.000 22.235 ( 0.000 0.000 -0.000) 0.000 22.840 ( 0.000 0.000 0.000) 0.000 23.062 ( 0.000 0.000 0.000) 0.000 23.231 ( 0.000 0.000 0.000) 0.000 26.844 ( 0.000 0.000 0.000) 0.000 26.857 ( 0.000 0.000 -0.000) 0.000 27.021 ( 0.000 0.000 0.000) 0.000 27.294 ( 0.000 0.000 -0.000) 0.000 27.360 ( 0.000 0.000 0.000) 0.000 28.108 ( 0.000 0.000 0.000) 0.000 29.301 ( 0.000 0.000 0.000) 0.000 29.485 ( 0.000 0.000 -0.000) 0.000 29.498 ( 0.000 0.000 0.000) 0.000 29.788 ( 0.000 0.000 0.000) 0.000 29.947 ( 0.000 0.000 -0.000) 0.000 30.289 ( 0.000 0.000 0.000) 0.000 30.722 ( 0.000 0.000 0.000) 0.000 30.733 ( 0.000 0.000 0.000) 0.000 30.866 ( 0.000 0.000 0.000) 0.000 31.162 ( 0.000 0.000 0.000) 0.000 31.357 ( 0.000 0.000 0.000) 0.000 31.400 ( 0.000 0.000 -0.000) 0.000 31.468 ( 0.000 0.000 0.000) 0.000 31.524 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 27.391 0.000 0.000) 27.391 0.967 ( 45.305 0.000 0.000) 45.305 1.369 ( 55.470 0.000 0.000) 55.470 1.849 ( -6.469 0.000 0.000) 6.469 2.084 ( 8.701 0.000 0.000) 8.701 2.550 ( 13.692 0.000 0.000) 13.692 2.827 ( -0.043 0.000 0.000) 0.043 2.977 ( 10.904 0.000 0.000) 10.904 3.143 ( -0.171 0.000 0.000) 0.171 3.459 ( -11.156 0.000 0.000) 11.156 3.596 ( -16.403 0.000 0.000) 16.403 3.617 ( -9.984 0.000 0.000) 9.984 3.676 ( -17.416 0.000 0.000) 17.416 3.768 ( -7.235 0.000 0.000) 7.235 4.089 ( 3.017 0.000 0.000) 3.017 4.105 ( 2.417 0.000 0.000) 2.417 4.235 ( 0.158 0.000 0.000) 0.158 4.383 ( 1.654 0.000 0.000) 1.654 4.657 ( -7.759 0.000 0.000) 7.759 4.708 ( 4.058 0.000 0.000) 4.058 4.766 ( 4.695 0.000 0.000) 4.695 4.837 ( -5.023 0.000 0.000) 5.023 5.025 ( -5.471 0.000 0.000) 5.471 5.112 ( 2.319 0.000 0.000) 2.319 5.140 ( 9.039 0.000 0.000) 9.039 5.198 ( 15.826 0.000 0.000) 15.826 5.343 ( 9.519 0.000 0.000) 9.519 5.377 ( 4.796 0.000 0.000) 4.796 5.609 ( 7.816 0.000 0.000) 7.816 5.678 ( -8.711 0.000 0.000) 8.711 5.783 ( 0.925 0.000 0.000) 0.925 5.990 ( 12.670 0.000 0.000) 12.670 6.003 ( 2.521 0.000 0.000) 2.521 6.025 ( -1.211 0.000 0.000) 1.211 6.414 ( -10.663 0.000 0.000) 10.663 6.433 ( 7.223 0.000 0.000) 7.223 6.663 ( -0.989 0.000 0.000) 0.989 6.676 ( 2.709 0.000 0.000) 2.709 6.817 ( -11.002 0.000 0.000) 11.002 7.203 ( -2.261 0.000 0.000) 2.261 7.286 ( -3.295 0.000 0.000) 3.295 7.293 ( -4.451 0.000 0.000) 4.451 7.480 ( -7.137 0.000 0.000) 7.137 7.608 ( -6.996 0.000 0.000) 6.996 7.690 ( 1.175 0.000 0.000) 1.175 8.087 ( -18.433 0.000 0.000) 18.433 8.110 ( -2.504 0.000 0.000) 2.504 8.431 ( -6.608 0.000 0.000) 6.608 8.488 ( 4.005 0.000 0.000) 4.005 8.659 ( 9.779 0.000 0.000) 9.779 8.964 ( -7.021 0.000 0.000) 7.021 9.000 ( -7.016 0.000 0.000) 7.016 9.321 ( -11.725 0.000 0.000) 11.725 9.393 ( -14.398 0.000 0.000) 14.398 9.896 ( 2.216 0.000 0.000) 2.216 9.945 ( 14.801 0.000 0.000) 14.801 10.383 ( 22.036 0.000 0.000) 22.036 10.515 ( -3.014 0.000 0.000) 3.014 10.880 ( 10.647 0.000 0.000) 10.647 10.996 ( 3.182 0.000 0.000) 3.182 11.113 ( 19.770 0.000 0.000) 19.770 11.114 ( 9.892 0.000 0.000) 9.892 11.758 ( -19.498 0.000 0.000) 19.498 12.631 ( -7.734 0.000 0.000) 7.734 12.870 ( 6.045 0.000 0.000) 6.045 12.941 ( -12.669 0.000 0.000) 12.669 13.333 ( 3.413 0.000 0.000) 3.413 13.684 ( -13.402 0.000 0.000) 13.402 13.726 ( -0.767 0.000 0.000) 0.767 13.866 ( 1.051 0.000 0.000) 1.051 14.194 ( 7.312 0.000 0.000) 7.312 14.630 ( 13.782 0.000 0.000) 13.782 14.666 ( 10.243 0.000 0.000) 10.243 15.029 ( -7.794 0.000 0.000) 7.794 15.320 ( -4.766 0.000 0.000) 4.766 15.630 ( -8.846 0.000 0.000) 8.846 18.304 ( 0.196 0.000 0.000) 0.196 18.663 ( 10.760 0.000 0.000) 10.760 18.829 ( -9.975 0.000 0.000) 9.975 19.187 ( -2.712 0.000 0.000) 2.712 20.080 ( -2.969 0.000 0.000) 2.969 20.424 ( -13.240 0.000 0.000) 13.240 21.173 ( 17.691 0.000 0.000) 17.691 21.693 ( 8.350 0.000 0.000) 8.350 22.282 ( 1.289 0.000 0.000) 1.289 22.619 ( -14.454 0.000 0.000) 14.454 23.195 ( -1.562 0.000 0.000) 1.562 23.205 ( 7.149 0.000 0.000) 7.149 26.850 ( 0.460 0.000 0.000) 0.460 26.854 ( -0.132 0.000 0.000) 0.132 27.067 ( 3.952 0.000 0.000) 3.952 27.337 ( -2.171 0.000 0.000) 2.171 28.214 ( 9.637 0.000 0.000) 9.637 29.138 ( -12.626 0.000 0.000) 12.626 29.144 ( 4.168 0.000 0.000) 4.168 29.493 ( -1.551 0.000 0.000) 1.551 29.796 ( 0.876 0.000 0.000) 0.876 29.932 ( -1.445 0.000 0.000) 1.445 30.308 ( 1.433 0.000 0.000) 1.433 30.432 ( -1.553 0.000 0.000) 1.553 30.705 ( 0.184 0.000 0.000) 0.184 30.974 ( 7.494 0.000 0.000) 7.494 31.064 ( -5.997 0.000 0.000) 5.997 31.224 ( 1.888 0.000 0.000) 1.888 31.342 ( -1.086 0.000 0.000) 1.086 31.429 ( -3.513 0.000 0.000) 3.513 31.564 ( 3.355 0.000 0.000) 3.355 31.804 ( -2.161 0.000 0.000) 2.161 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 22.494 0.000 0.000) 22.494 1.525 ( -11.083 0.000 0.000) 11.083 1.958 ( 36.064 0.000 0.000) 36.064 2.230 ( 22.684 0.000 0.000) 22.684 2.287 ( 7.537 0.000 0.000) 7.537 2.704 ( -20.083 0.000 0.000) 20.083 2.807 ( 5.111 0.000 0.000) 5.111 2.971 ( -15.417 0.000 0.000) 15.417 3.190 ( 9.400 0.000 0.000) 9.400 3.259 ( -2.852 0.000 0.000) 2.852 3.328 ( -0.595 0.000 0.000) 0.595 3.453 ( -5.299 0.000 0.000) 5.299 3.507 ( -0.471 0.000 0.000) 0.471 3.568 ( -10.694 0.000 0.000) 10.694 4.157 ( 1.890 0.000 0.000) 1.890 4.203 ( 3.118 0.000 0.000) 3.118 4.263 ( 0.907 0.000 0.000) 0.907 4.311 ( 5.565 0.000 0.000) 5.565 4.568 ( -3.724 0.000 0.000) 3.724 4.623 ( -8.603 0.000 0.000) 8.603 4.839 ( 0.215 0.000 0.000) 0.215 4.840 ( 1.402 0.000 0.000) 1.402 5.081 ( 9.767 0.000 0.000) 9.767 5.161 ( 1.679 0.000 0.000) 1.679 5.248 ( 1.574 0.000 0.000) 1.574 5.326 ( -5.531 0.000 0.000) 5.531 5.498 ( 9.187 0.000 0.000) 9.187 5.596 ( 9.768 0.000 0.000) 9.768 5.684 ( 11.488 0.000 0.000) 11.488 5.691 ( 1.280 0.000 0.000) 1.280 5.875 ( -7.418 0.000 0.000) 7.418 5.950 ( -28.504 0.000 0.000) 28.504 6.008 ( 0.704 0.000 0.000) 0.704 6.014 ( 10.719 0.000 0.000) 10.719 6.339 ( 14.207 0.000 0.000) 14.207 6.521 ( 3.756 0.000 0.000) 3.756 6.634 ( -9.140 0.000 0.000) 9.140 6.670 ( -5.122 0.000 0.000) 5.122 6.744 ( 10.712 0.000 0.000) 10.712 7.049 ( -15.214 0.000 0.000) 15.214 7.232 ( -0.047 0.000 0.000) 0.047 7.248 ( 0.366 0.000 0.000) 0.366 7.295 ( -5.765 0.000 0.000) 5.765 7.349 ( -10.125 0.000 0.000) 10.125 7.784 ( 3.780 0.000 0.000) 3.780 7.849 ( -4.342 0.000 0.000) 4.342 8.073 ( 1.679 0.000 0.000) 1.679 8.228 ( -11.377 0.000 0.000) 11.377 8.599 ( 6.361 0.000 0.000) 6.361 8.767 ( -9.789 0.000 0.000) 9.789 8.859 ( 7.759 0.000 0.000) 7.759 8.929 ( -0.288 0.000 0.000) 0.288 9.120 ( -6.399 0.000 0.000) 6.399 9.128 ( -7.293 0.000 0.000) 7.293 10.121 ( 10.984 0.000 0.000) 10.984 10.190 ( 5.522 0.000 0.000) 5.522 10.539 ( 6.361 0.000 0.000) 6.361 10.665 ( 3.289 0.000 0.000) 3.289 10.859 ( -4.058 0.000 0.000) 4.058 10.988 ( -5.116 0.000 0.000) 5.116 11.293 ( 9.197 0.000 0.000) 9.197 11.418 ( -7.917 0.000 0.000) 7.917 11.800 ( 30.735 0.000 0.000) 30.735 12.341 ( -19.639 0.000 0.000) 19.639 12.756 ( -2.456 0.000 0.000) 2.456 12.852 ( -7.646 0.000 0.000) 7.646 13.392 ( 2.790 0.000 0.000) 2.790 13.469 ( -5.566 0.000 0.000) 5.566 13.743 ( 2.871 0.000 0.000) 2.871 13.826 ( -3.933 0.000 0.000) 3.933 14.443 ( 14.379 0.000 0.000) 14.379 14.734 ( -10.558 0.000 0.000) 10.558 14.956 ( 7.447 0.000 0.000) 7.447 14.967 ( 15.483 0.000 0.000) 15.483 15.187 ( -6.231 0.000 0.000) 6.231 15.367 ( -15.220 0.000 0.000) 15.220 18.379 ( 6.974 0.000 0.000) 6.974 18.584 ( -11.683 0.000 0.000) 11.683 18.904 ( 11.023 0.000 0.000) 11.023 19.095 ( -6.535 0.000 0.000) 6.535 20.049 ( 1.226 0.000 0.000) 1.226 20.164 ( -9.636 0.000 0.000) 9.636 21.607 ( 20.757 0.000 0.000) 20.757 21.857 ( 2.807 0.000 0.000) 2.807 22.197 ( -5.628 0.000 0.000) 5.628 22.316 ( -13.059 0.000 0.000) 13.059 23.229 ( 4.085 0.000 0.000) 4.085 23.286 ( 0.147 0.000 0.000) 0.147 26.855 ( 0.187 0.000 0.000) 0.187 26.857 ( 0.086 0.000 0.000) 0.086 27.168 ( 5.112 0.000 0.000) 5.112 27.269 ( -4.170 0.000 0.000) 4.170 28.487 ( 15.322 0.000 0.000) 15.322 28.827 ( -16.069 0.000 0.000) 16.069 29.263 ( 6.676 0.000 0.000) 6.676 29.405 ( -6.117 0.000 0.000) 6.117 29.829 ( 2.232 0.000 0.000) 2.232 29.885 ( -2.792 0.000 0.000) 2.792 30.343 ( 1.943 0.000 0.000) 1.943 30.389 ( -2.269 0.000 0.000) 2.269 30.773 ( 5.758 0.000 0.000) 5.758 30.919 ( -7.387 0.000 0.000) 7.387 31.136 ( 7.292 0.000 0.000) 7.292 31.241 ( -1.207 0.000 0.000) 1.207 31.320 ( -0.822 0.000 0.000) 0.822 31.339 ( -3.743 0.000 0.000) 3.743 31.650 ( 4.447 0.000 0.000) 4.447 31.740 ( -3.816 0.000 0.000) 3.816 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.11 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 0.000 27.978 0.000) 27.978 0.577 ( 0.000 28.503 0.000) 28.503 1.005 ( 0.000 48.693 0.000) 48.693 2.117 ( 0.000 16.510 0.000) 16.510 2.124 ( 0.000 14.194 0.000) 14.194 2.541 ( 0.000 12.981 0.000) 12.981 2.895 ( 0.000 4.677 0.000) 4.677 2.992 ( 0.000 0.832 0.000) 0.832 3.140 ( 0.000 -0.199 0.000) 0.199 3.656 ( 0.000 -5.645 0.000) 5.645 3.666 ( 0.000 0.443 0.000) 0.443 3.723 ( 0.000 0.943 0.000) 0.943 3.836 ( 0.000 1.581 0.000) 1.581 3.925 ( 0.000 -2.877 0.000) 2.877 3.938 ( 0.000 -2.842 0.000) 2.842 4.083 ( 0.000 2.344 0.000) 2.344 4.223 ( 0.000 -4.741 0.000) 4.741 4.308 ( 0.000 -0.438 0.000) 0.438 4.345 ( 0.000 10.090 0.000) 10.090 4.635 ( 0.000 2.679 0.000) 2.679 4.819 ( 0.000 -7.016 0.000) 7.016 4.870 ( 0.000 -5.586 0.000) 5.586 4.952 ( 0.000 -0.397 0.000) 0.397 5.066 ( 0.000 2.718 0.000) 2.718 5.141 ( 0.000 4.390 0.000) 4.390 5.148 ( 0.000 0.275 0.000) 0.275 5.248 ( 0.000 3.030 0.000) 3.030 5.293 ( 0.000 -1.192 0.000) 1.192 5.361 ( 0.000 2.753 0.000) 2.753 5.729 ( 0.000 -1.868 0.000) 1.868 5.874 ( 0.000 -2.950 0.000) 2.950 5.901 ( 0.000 3.443 0.000) 3.443 6.007 ( 0.000 -0.217 0.000) 0.217 6.282 ( 0.000 -3.183 0.000) 3.183 6.348 ( 0.000 -1.285 0.000) 1.285 6.444 ( 0.000 -4.473 0.000) 4.473 6.742 ( 0.000 4.330 0.000) 4.330 6.877 ( 0.000 -7.547 0.000) 7.547 6.920 ( 0.000 -4.481 0.000) 4.481 7.278 ( 0.000 -2.824 0.000) 2.824 7.359 ( 0.000 1.337 0.000) 1.337 7.370 ( 0.000 -3.628 0.000) 3.628 7.552 ( 0.000 -0.960 0.000) 0.960 7.780 ( 0.000 -1.184 0.000) 1.184 8.059 ( 0.000 2.285 0.000) 2.285 8.139 ( 0.000 -1.793 0.000) 1.793 8.280 ( 0.000 -3.694 0.000) 3.694 8.371 ( 0.000 -1.476 0.000) 1.476 8.408 ( 0.000 -10.495 0.000) 10.495 8.747 ( 0.000 -2.588 0.000) 2.588 9.022 ( 0.000 -1.030 0.000) 1.030 9.233 ( 0.000 -0.594 0.000) 0.594 9.399 ( 0.000 -2.622 0.000) 2.622 9.465 ( 0.000 0.344 0.000) 0.344 9.599 ( 0.000 4.191 0.000) 4.191 10.030 ( 0.000 0.966 0.000) 0.966 10.287 ( 0.000 -0.424 0.000) 0.424 10.404 ( 0.000 -0.004 0.000) 0.004 10.619 ( 0.000 1.086 0.000) 1.086 10.695 ( 0.000 0.075 0.000) 0.075 11.090 ( 0.000 0.854 0.000) 0.854 11.111 ( 0.000 0.358 0.000) 0.358 12.032 ( 0.000 0.469 0.000) 0.469 12.205 ( 0.000 0.914 0.000) 0.914 12.795 ( 0.000 0.021 0.000) 0.021 13.198 ( 0.000 0.859 0.000) 0.859 13.205 ( 0.000 -0.707 0.000) 0.707 13.326 ( 0.000 0.112 0.000) 0.112 13.731 ( 0.000 -0.675 0.000) 0.675 13.847 ( 0.000 1.766 0.000) 1.766 14.115 ( 0.000 -2.397 0.000) 2.397 14.141 ( 0.000 -1.340 0.000) 1.340 14.447 ( 0.000 -1.639 0.000) 1.639 14.525 ( 0.000 0.279 0.000) 0.279 15.375 ( 0.000 0.319 0.000) 0.319 15.733 ( 0.000 0.856 0.000) 0.856 18.312 ( 0.000 -1.324 0.000) 1.324 18.528 ( 0.000 0.956 0.000) 0.956 18.926 ( 0.000 -1.552 0.000) 1.552 19.212 ( 0.000 -2.147 0.000) 2.147 20.114 ( 0.000 -0.810 0.000) 0.810 20.583 ( 0.000 -0.988 0.000) 0.988 21.221 ( 0.000 -3.289 0.000) 3.289 21.586 ( 0.000 -0.016 0.000) 0.016 22.244 ( 0.000 0.793 0.000) 0.793 22.838 ( 0.000 -0.140 0.000) 0.140 23.074 ( 0.000 -0.457 0.000) 0.457 23.216 ( 0.000 -1.434 0.000) 1.434 26.845 ( 0.000 0.123 0.000) 0.123 26.858 ( 0.000 -0.070 0.000) 0.070 27.024 ( 0.000 0.254 0.000) 0.254 27.294 ( 0.000 -0.012 0.000) 0.012 27.362 ( 0.000 0.251 0.000) 0.251 28.115 ( 0.000 0.787 0.000) 0.787 29.281 ( 0.000 -1.949 0.000) 1.949 29.456 ( 0.000 -4.171 0.000) 4.171 29.470 ( 0.000 -1.785 0.000) 1.785 29.798 ( 0.000 1.422 0.000) 1.422 29.981 ( 0.000 -0.053 0.000) 0.053 30.309 ( 0.000 1.384 0.000) 1.384 30.754 ( 0.000 3.273 0.000) 3.273 30.785 ( 0.000 4.611 0.000) 4.611 31.103 ( 0.000 -5.285 0.000) 5.285 31.284 ( 0.000 -3.762 0.000) 3.762 31.465 ( 0.000 3.345 0.000) 3.345 31.495 ( 0.000 2.584 0.000) 2.584 31.578 ( 0.000 7.953 0.000) 7.953 33.305 ( 0.000 -2.475 0.000) 2.475 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.20 0.11 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 30.534 19.672 0.000) 36.323 1.142 ( 25.017 25.050 0.000) 35.403 1.481 ( 44.629 14.604 0.000) 46.957 2.077 ( -5.446 20.164 0.000) 20.886 2.207 ( 7.633 12.048 0.000) 14.262 2.638 ( 7.931 7.063 0.000) 10.620 2.884 ( -2.275 2.842 0.000) 3.640 3.047 ( 7.534 6.051 0.000) 9.663 3.149 ( 0.185 0.157 0.000) 0.242 3.436 ( -11.290 -2.267 0.000) 11.516 3.511 ( -10.427 -3.449 0.000) 10.983 3.610 ( -12.538 1.920 0.000) 12.684 3.776 ( -6.979 4.517 0.000) 8.313 3.836 ( -8.071 6.614 0.000) 10.435 4.031 ( 6.073 -2.591 0.000) 6.602 4.135 ( 1.736 -1.164 0.000) 2.090 4.246 ( 1.315 0.944 0.000) 1.619 4.354 ( 3.043 -1.844 0.000) 3.558 4.422 ( 3.474 -6.972 0.000) 7.789 4.711 ( -1.210 -3.070 0.000) 3.300 4.771 ( 4.832 -1.765 0.000) 5.144 4.839 ( -4.486 2.115 0.000) 4.960 4.971 ( -3.161 -4.520 0.000) 5.516 5.089 ( 6.282 -1.424 0.000) 6.441 5.141 ( 1.148 1.901 0.000) 2.221 5.204 ( 10.286 -1.829 0.000) 10.447 5.373 ( 7.230 1.791 0.000) 7.448 5.400 ( 5.896 2.103 0.000) 6.259 5.567 ( 13.543 -0.196 0.000) 13.545 5.732 ( -0.260 -1.309 0.000) 1.335 5.811 ( -2.785 -0.929 0.000) 2.936 5.878 ( 2.589 3.216 0.000) 4.129 6.008 ( -3.866 -1.511 0.000) 4.151 6.220 ( -2.819 3.105 0.000) 4.193 6.373 ( 7.299 -1.917 0.000) 7.547 6.526 ( 0.040 -3.964 0.000) 3.964 6.628 ( -15.734 1.499 0.000) 15.805 6.740 ( -1.877 4.777 0.000) 5.133 6.831 ( -6.340 1.048 0.000) 6.426 7.205 ( -8.672 -1.350 0.000) 8.776 7.266 ( -2.032 -2.070 0.000) 2.901 7.285 ( -4.959 0.542 0.000) 4.989 7.471 ( -9.426 -0.880 0.000) 9.467 7.650 ( -10.990 2.972 0.000) 11.385 7.685 ( 0.377 -0.087 0.000) 0.387 8.024 ( -8.063 -1.294 0.000) 8.166 8.244 ( -12.808 5.770 0.000) 14.047 8.364 ( -2.346 -5.816 0.000) 6.272 8.482 ( 1.087 -0.927 0.000) 1.429 8.637 ( 5.869 -2.067 0.000) 6.222 8.919 ( -8.565 -4.440 0.000) 9.647 8.974 ( -5.460 -2.589 0.000) 6.043 9.315 ( -10.292 -0.004 0.000) 10.292 9.397 ( -12.418 -0.052 0.000) 12.418 9.903 ( 12.326 -1.824 0.000) 12.460 9.931 ( 5.285 2.155 0.000) 5.708 10.390 ( 19.641 0.165 0.000) 19.642 10.531 ( -2.085 1.403 0.000) 2.513 10.879 ( 10.474 -0.215 0.000) 10.476 10.992 ( 4.778 -0.431 0.000) 4.798 11.111 ( 23.073 -0.220 0.000) 23.074 11.122 ( 4.205 0.888 0.000) 4.298 11.767 ( -18.728 0.792 0.000) 18.745 12.589 ( -2.368 -4.011 0.000) 4.658 12.841 ( 8.059 -2.260 0.000) 8.370 12.943 ( -12.565 0.181 0.000) 12.566 13.336 ( 3.585 0.212 0.000) 3.591 13.571 ( -3.555 -10.261 0.000) 10.859 13.727 ( -1.855 0.554 0.000) 1.936 13.873 ( 0.017 0.717 0.000) 0.717 14.158 ( 6.357 -3.561 0.000) 7.287 14.424 ( 20.179 -27.168 0.000) 33.842 14.630 ( 14.751 -2.314 0.000) 14.932 14.695 ( 11.738 -0.400 0.000) 11.745 15.321 ( -5.085 0.038 0.000) 5.085 15.641 ( -8.611 1.063 0.000) 8.676 18.277 ( -0.667 -1.342 0.000) 1.499 18.641 ( 9.200 -1.358 0.000) 9.300 18.817 ( -9.676 -1.317 0.000) 9.765 19.172 ( -2.356 -1.436 0.000) 2.759 20.090 ( -3.089 -0.141 0.000) 3.092 20.413 ( -13.039 -0.973 0.000) 13.075 21.255 ( 10.837 3.439 0.000) 11.370 21.683 ( 8.018 -0.689 0.000) 8.048 22.290 ( 1.213 0.694 0.000) 1.397 22.617 ( -14.582 -0.310 0.000) 14.585 23.179 ( -1.012 -1.411 0.000) 1.736 23.212 ( 6.498 0.165 0.000) 6.500 26.850 ( 0.298 0.012 0.000) 0.298 26.854 ( 0.012 0.068 0.000) 0.069 27.069 ( 3.879 0.177 0.000) 3.883 27.337 ( -2.201 0.064 0.000) 2.202 28.222 ( 10.109 0.513 0.000) 10.122 28.423 ( 50.646 -47.409 0.000) 69.374 29.142 ( -11.543 -0.339 0.000) 11.548 29.447 ( -3.624 -4.499 0.000) 5.777 29.619 ( 14.880 -15.212 0.000) 21.280 29.828 ( 3.813 1.518 0.000) 4.104 29.946 ( -2.951 -0.603 0.000) 3.012 30.348 ( 3.066 0.545 0.000) 3.114 30.718 ( -4.207 2.444 0.000) 4.866 30.816 ( 2.865 1.231 0.000) 3.119 31.044 ( -3.882 -5.358 0.000) 6.617 31.311 ( 2.079 -1.226 0.000) 2.414 31.381 ( -5.890 2.132 0.000) 6.264 31.479 ( -1.514 3.052 0.000) 3.407 31.672 ( 7.003 10.355 0.000) 12.500 32.697 ( -34.685 29.971 0.000) 45.840 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.40 0.11 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 18.116 29.686 0.000) 34.778 1.778 ( 3.133 19.511 0.000) 19.761 1.981 ( 20.329 6.056 0.000) 21.212 2.194 ( 16.710 -0.341 0.000) 16.713 2.387 ( 6.606 6.554 0.000) 9.306 2.664 ( -19.570 -4.999 0.000) 20.198 2.769 ( 2.784 -0.547 0.000) 2.837 2.981 ( -15.503 1.690 0.000) 15.594 3.221 ( 2.799 1.176 0.000) 3.036 3.260 ( 0.984 1.393 0.000) 1.706 3.415 ( 1.837 8.313 0.000) 8.514 3.517 ( 4.169 6.863 0.000) 8.030 3.616 ( -5.927 8.616 0.000) 10.458 3.705 ( -5.646 11.755 0.000) 13.041 4.165 ( 2.468 0.484 0.000) 2.515 4.215 ( 4.078 0.065 0.000) 4.079 4.245 ( 3.283 -1.423 0.000) 3.578 4.315 ( 2.043 1.448 0.000) 2.504 4.469 ( 0.158 -6.158 0.000) 6.160 4.598 ( -9.012 -3.464 0.000) 9.655 4.799 ( 1.160 -2.622 0.000) 2.867 4.838 ( -2.926 -1.644 0.000) 3.356 5.066 ( 12.172 -0.870 0.000) 12.203 5.124 ( 1.302 -3.125 0.000) 3.386 5.215 ( 0.871 -1.956 0.000) 2.141 5.341 ( -3.262 -0.634 0.000) 3.323 5.479 ( 6.995 -1.734 0.000) 7.206 5.550 ( 6.717 -3.759 0.000) 7.697 5.678 ( -0.153 2.371 0.000) 2.376 5.778 ( 9.087 4.780 0.000) 10.267 5.841 ( -10.993 -2.252 0.000) 11.221 5.949 ( 2.727 -2.328 0.000) 3.585 6.018 ( -12.590 4.698 0.000) 13.438 6.082 ( 7.422 2.936 0.000) 7.982 6.363 ( 6.734 1.218 0.000) 6.844 6.521 ( 4.576 -0.470 0.000) 4.601 6.628 ( -7.352 -2.535 0.000) 7.777 6.646 ( -1.318 -0.416 0.000) 1.382 6.728 ( 2.898 -0.829 0.000) 3.014 7.013 ( -15.473 -3.116 0.000) 15.783 7.177 ( -2.872 -3.171 0.000) 4.278 7.199 ( -7.206 -5.585 0.000) 9.117 7.297 ( 3.594 2.529 0.000) 4.395 7.423 ( -8.881 3.838 0.000) 9.675 7.780 ( 4.490 -0.535 0.000) 4.521 7.853 ( -4.418 -0.074 0.000) 4.419 8.101 ( -0.200 2.537 0.000) 2.545 8.227 ( -9.789 -0.075 0.000) 9.790 8.541 ( 4.674 -5.163 0.000) 6.964 8.689 ( -9.409 -6.734 0.000) 11.570 8.823 ( 7.837 -3.372 0.000) 8.532 8.923 ( -0.894 -1.392 0.000) 1.654 9.136 ( -5.226 1.405 0.000) 5.412 9.158 ( -7.153 1.866 0.000) 7.392 10.123 ( 9.590 0.002 0.000) 9.590 10.168 ( 6.214 -1.805 0.000) 6.471 10.553 ( 6.466 1.271 0.000) 6.590 10.666 ( 4.075 -0.030 0.000) 4.075 10.856 ( -5.127 -0.066 0.000) 5.127 10.972 ( -5.476 -1.474 0.000) 5.671 11.301 ( 9.739 0.900 0.000) 9.781 11.441 ( -7.831 2.013 0.000) 8.086 11.787 ( 30.382 -1.204 0.000) 30.406 12.325 ( -19.558 -1.460 0.000) 19.613 12.760 ( -2.469 0.347 0.000) 2.493 12.853 ( -7.396 0.171 0.000) 7.398 13.397 ( 2.731 0.315 0.000) 2.749 13.453 ( -3.204 -1.863 0.000) 3.706 13.727 ( 2.556 -1.135 0.000) 2.797 13.816 ( -4.564 -0.947 0.000) 4.661 14.373 ( 11.808 -6.579 0.000) 13.517 14.571 ( -4.486 -14.907 0.000) 15.568 14.910 ( 11.893 -1.053 0.000) 11.940 14.994 ( 13.920 0.899 0.000) 13.949 15.179 ( -6.192 -0.576 0.000) 6.219 15.383 ( -15.007 1.386 0.000) 15.071 18.341 ( 6.824 -2.803 0.000) 7.377 18.548 ( -11.884 -3.122 0.000) 12.287 18.895 ( 11.177 -0.809 0.000) 11.206 19.089 ( -6.416 -0.748 0.000) 6.459 20.045 ( 0.659 -0.537 0.000) 0.851 20.154 ( -9.592 -0.895 0.000) 9.633 21.615 ( 19.153 0.412 0.000) 19.157 21.843 ( 2.940 -1.256 0.000) 3.197 22.203 ( -5.707 0.606 0.000) 5.739 22.315 ( -12.824 -0.178 0.000) 12.825 23.222 ( 4.475 -0.849 0.000) 4.555 23.286 ( -0.165 -0.176 0.000) 0.241 26.855 ( 0.225 -0.008 0.000) 0.225 26.858 ( 0.034 0.056 0.000) 0.066 27.168 ( 5.063 0.049 0.000) 5.063 27.269 ( -4.176 0.012 0.000) 4.176 28.499 ( 15.374 1.200 0.000) 15.421 28.833 ( -14.787 0.307 0.000) 14.790 29.055 ( 15.363 -19.701 0.000) 24.983 29.308 ( -9.188 -9.178 0.000) 12.987 29.807 ( 3.281 -4.082 0.000) 5.237 29.874 ( -3.442 -1.547 0.000) 3.773 30.095 ( 16.945 -14.371 0.000) 22.219 30.354 ( -5.779 -3.898 0.000) 6.971 30.661 ( 1.807 -2.981 0.000) 3.486 30.776 ( -6.474 -5.821 0.000) 8.706 31.070 ( 6.444 -0.361 0.000) 6.455 31.230 ( -7.676 0.315 0.000) 7.682 31.371 ( 2.943 1.986 0.000) 3.550 31.433 ( -2.704 3.289 0.000) 4.258 31.859 ( 10.859 16.194 0.000) 19.498 32.154 ( -18.105 25.651 0.000) 31.396 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.22 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 23.376 0.000) 23.376 1.109 ( 0.000 26.791 0.000) 26.791 1.901 ( 0.000 39.371 0.000) 39.371 2.418 ( 0.000 15.128 0.000) 15.128 2.518 ( 0.000 17.964 0.000) 17.964 2.801 ( 0.000 8.126 0.000) 8.126 2.940 ( 0.000 4.844 0.000) 4.844 3.154 ( 0.000 2.981 0.000) 2.981 3.166 ( 0.000 15.910 0.000) 15.910 3.523 ( 0.000 -6.779 0.000) 6.779 3.653 ( 0.000 -1.987 0.000) 1.987 3.773 ( 0.000 3.862 0.000) 3.862 3.844 ( 0.000 -3.112 0.000) 3.112 3.871 ( 0.000 0.521 0.000) 0.521 3.960 ( 0.000 4.538 0.000) 4.538 4.133 ( 0.000 -3.824 0.000) 3.824 4.144 ( 0.000 3.249 0.000) 3.249 4.299 ( 0.000 -0.082 0.000) 0.082 4.525 ( 0.000 6.975 0.000) 6.975 4.666 ( 0.000 -2.547 0.000) 2.547 4.712 ( 0.000 -0.553 0.000) 0.553 4.759 ( 0.000 -4.096 0.000) 4.096 4.966 ( 0.000 1.962 0.000) 1.962 5.044 ( 0.000 -4.131 0.000) 4.131 5.168 ( 0.000 0.537 0.000) 0.537 5.206 ( 0.000 0.960 0.000) 0.960 5.270 ( 0.000 -1.212 0.000) 1.212 5.306 ( 0.000 2.492 0.000) 2.492 5.452 ( 0.000 6.510 0.000) 6.510 5.653 ( 0.000 -5.338 0.000) 5.338 5.817 ( 0.000 -2.055 0.000) 2.055 5.994 ( 0.000 -1.073 0.000) 1.073 6.019 ( 0.000 7.596 0.000) 7.596 6.197 ( 0.000 -5.432 0.000) 5.432 6.303 ( 0.000 -3.321 0.000) 3.321 6.353 ( 0.000 -4.628 0.000) 4.628 6.665 ( 0.000 -8.560 0.000) 8.560 6.802 ( 0.000 -6.687 0.000) 6.687 6.850 ( 0.000 1.690 0.000) 1.690 7.219 ( 0.000 -2.644 0.000) 2.644 7.257 ( 0.000 -7.418 0.000) 7.418 7.373 ( 0.000 0.483 0.000) 0.483 7.542 ( 0.000 0.178 0.000) 0.178 7.729 ( 0.000 -4.564 0.000) 4.564 8.072 ( 0.000 -1.252 0.000) 1.252 8.089 ( 0.000 -3.745 0.000) 3.745 8.171 ( 0.000 -6.539 0.000) 6.539 8.172 ( 0.000 -11.059 0.000) 11.059 8.402 ( 0.000 4.557 0.000) 4.557 8.668 ( 0.000 -4.784 0.000) 4.784 8.988 ( 0.000 -2.396 0.000) 2.396 9.218 ( 0.000 -0.943 0.000) 0.943 9.331 ( 0.000 -3.720 0.000) 3.720 9.471 ( 0.000 0.038 0.000) 0.038 9.691 ( 0.000 4.667 0.000) 4.667 10.049 ( 0.000 0.657 0.000) 0.657 10.275 ( 0.000 -0.724 0.000) 0.724 10.409 ( 0.000 0.533 0.000) 0.533 10.642 ( 0.000 0.989 0.000) 0.989 10.685 ( 0.000 -1.142 0.000) 1.142 11.113 ( 0.000 1.398 0.000) 1.398 11.121 ( 0.000 0.649 0.000) 0.649 12.043 ( 0.000 0.568 0.000) 0.568 12.232 ( 0.000 1.710 0.000) 1.710 12.796 ( 0.000 0.036 0.000) 0.036 13.187 ( 0.000 -1.042 0.000) 1.042 13.222 ( 0.000 1.504 0.000) 1.504 13.329 ( 0.000 0.134 0.000) 0.134 13.719 ( 0.000 -0.520 0.000) 0.520 13.886 ( 0.000 2.009 0.000) 2.009 14.057 ( 0.000 -3.154 0.000) 3.154 14.108 ( 0.000 -1.723 0.000) 1.723 14.402 ( 0.000 -2.716 0.000) 2.716 14.532 ( 0.000 0.384 0.000) 0.384 15.382 ( 0.000 0.279 0.000) 0.279 15.753 ( 0.000 1.024 0.000) 1.024 18.279 ( 0.000 -1.818 0.000) 1.818 18.555 ( 0.000 1.721 0.000) 1.721 18.889 ( 0.000 -2.054 0.000) 2.054 19.156 ( 0.000 -3.258 0.000) 3.258 20.094 ( 0.000 -1.068 0.000) 1.068 20.559 ( 0.000 -1.368 0.000) 1.368 21.140 ( 0.000 -4.471 0.000) 4.471 21.585 ( 0.000 -0.100 0.000) 0.100 22.260 ( 0.000 0.631 0.000) 0.631 22.834 ( 0.000 -0.305 0.000) 0.305 23.063 ( 0.000 -0.625 0.000) 0.625 23.177 ( 0.000 -2.275 0.000) 2.275 26.848 ( 0.000 0.154 0.000) 0.154 26.856 ( 0.000 -0.083 0.000) 0.083 27.030 ( 0.000 0.296 0.000) 0.296 27.293 ( 0.000 -0.037 0.000) 0.037 27.369 ( 0.000 0.370 0.000) 0.370 28.139 ( 0.000 1.553 0.000) 1.553 29.228 ( 0.000 -3.354 0.000) 3.354 29.350 ( 0.000 -5.643 0.000) 5.643 29.412 ( 0.000 -3.779 0.000) 3.779 29.849 ( 0.000 3.464 0.000) 3.464 29.993 ( 0.000 1.339 0.000) 1.339 30.319 ( 0.000 -0.800 0.000) 0.800 30.840 ( 0.000 4.975 0.000) 4.975 30.896 ( 0.000 5.961 0.000) 5.961 30.979 ( 0.000 -6.576 0.000) 6.576 31.243 ( 0.000 -0.051 0.000) 0.051 31.516 ( 0.000 1.751 0.000) 1.751 31.552 ( 0.000 2.904 0.000) 2.904 31.781 ( 0.000 11.634 0.000) 11.634 33.236 ( 0.000 -4.356 0.000) 4.356 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.20 0.22 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 23.262 15.925 0.000) 28.191 1.508 ( 26.306 12.247 0.000) 29.017 2.087 ( 15.031 36.675 0.000) 39.636 2.436 ( 1.231 14.190 0.000) 14.243 2.598 ( 4.292 23.032 0.000) 23.429 2.756 ( -3.556 2.668 0.000) 4.446 2.880 ( -6.982 1.183 0.000) 7.081 3.171 ( 1.250 2.388 0.000) 2.695 3.241 ( 6.054 12.520 0.000) 13.906 3.379 ( -10.202 -0.718 0.000) 10.228 3.516 ( -2.840 1.512 0.000) 3.217 3.685 ( -7.107 5.279 0.000) 8.853 3.851 ( -2.595 2.930 0.000) 3.914 3.953 ( 3.899 -0.446 0.000) 3.924 4.011 ( 2.202 3.668 0.000) 4.279 4.094 ( 2.151 0.175 0.000) 2.158 4.224 ( 2.311 -1.641 0.000) 2.834 4.375 ( 6.432 1.878 0.000) 6.700 4.425 ( -5.627 4.911 0.000) 7.468 4.615 ( -4.052 -5.349 0.000) 6.710 4.700 ( 2.876 -4.447 0.000) 5.296 4.842 ( -0.616 -3.662 0.000) 3.714 4.964 ( -2.778 4.866 0.000) 5.603 5.076 ( 1.278 0.083 0.000) 1.281 5.133 ( 7.832 -3.981 0.000) 8.786 5.181 ( -0.312 1.012 0.000) 1.059 5.395 ( 6.871 0.186 0.000) 6.873 5.446 ( 1.080 2.244 0.000) 2.490 5.571 ( 15.568 -0.045 0.000) 15.568 5.685 ( 4.413 -3.136 0.000) 5.414 5.761 ( 0.182 -2.669 0.000) 2.675 5.967 ( -1.206 0.763 0.000) 1.427 5.983 ( -6.795 1.863 0.000) 7.046 6.205 ( -2.497 -3.224 0.000) 4.078 6.331 ( 7.233 -2.509 0.000) 7.656 6.425 ( 4.079 -4.250 0.000) 5.890 6.567 ( -8.102 -4.797 0.000) 9.416 6.796 ( -0.647 -0.869 0.000) 1.083 6.838 ( -4.321 0.049 0.000) 4.321 7.124 ( -10.298 -5.740 0.000) 11.790 7.234 ( -0.126 -0.814 0.000) 0.824 7.296 ( -4.852 -0.469 0.000) 4.874 7.456 ( -11.573 -0.340 0.000) 11.578 7.665 ( -8.956 0.396 0.000) 8.964 7.700 ( -5.100 -0.766 0.000) 5.157 7.999 ( -8.793 -2.244 0.000) 9.074 8.233 ( 4.016 -5.602 0.000) 6.893 8.322 ( -5.860 2.424 0.000) 6.341 8.420 ( -0.482 -5.388 0.000) 5.410 8.590 ( -2.161 -2.441 0.000) 3.261 8.799 ( -9.771 -6.944 0.000) 11.987 8.901 ( -7.281 -4.445 0.000) 8.531 9.323 ( -8.193 0.378 0.000) 8.202 9.391 ( -11.428 -0.352 0.000) 11.434 9.889 ( 11.954 0.747 0.000) 11.978 9.984 ( 2.492 2.538 0.000) 3.556 10.379 ( 17.960 -1.196 0.000) 18.000 10.555 ( -0.948 0.644 0.000) 1.146 10.868 ( 9.765 -0.935 0.000) 9.810 10.981 ( 9.911 -0.658 0.000) 9.932 11.104 ( 16.172 -0.397 0.000) 16.177 11.150 ( 5.112 1.797 0.000) 5.418 11.786 ( -17.245 1.037 0.000) 17.276 12.504 ( 5.047 -3.513 0.000) 6.149 12.805 ( 6.371 -1.137 0.000) 6.472 12.947 ( -12.322 0.197 0.000) 12.323 13.338 ( 2.584 -0.299 0.000) 2.601 13.400 ( 0.074 -5.165 0.000) 5.165 13.744 ( -0.603 1.034 0.000) 1.197 13.892 ( -2.339 0.979 0.000) 2.536 14.055 ( 6.376 -6.213 0.000) 8.902 14.109 ( 5.502 -7.615 0.000) 9.395 14.603 ( 15.713 -0.904 0.000) 15.739 14.702 ( 11.928 0.389 0.000) 11.934 15.322 ( -5.517 0.113 0.000) 5.518 15.665 ( -8.279 1.215 0.000) 8.367 18.259 ( -0.908 -0.696 0.000) 1.144 18.622 ( 4.782 -0.425 0.000) 4.801 18.782 ( -7.771 -2.065 0.000) 8.041 19.135 ( -1.481 -2.123 0.000) 2.589 20.072 ( -2.650 -1.366 0.000) 2.981 20.390 ( -12.950 -1.292 0.000) 13.014 21.263 ( 12.235 -1.750 0.000) 12.360 21.672 ( 7.062 -0.416 0.000) 7.074 22.305 ( 1.146 0.688 0.000) 1.337 22.607 ( -14.716 -0.588 0.000) 14.728 23.141 ( -1.065 -2.301 0.000) 2.536 23.207 ( 6.736 -0.504 0.000) 6.755 26.851 ( 0.106 0.005 0.000) 0.106 26.856 ( 0.186 0.095 0.000) 0.209 27.073 ( 3.717 0.167 0.000) 3.721 27.339 ( -2.256 0.100 0.000) 2.258 27.825 ( 39.552 -16.069 0.000) 42.692 28.253 ( 10.315 1.766 0.000) 10.465 29.132 ( -9.462 -0.624 0.000) 9.483 29.329 ( -7.129 -6.666 0.000) 9.760 29.426 ( 7.394 -7.531 0.000) 10.554 29.882 ( 2.883 3.262 0.000) 4.354 29.947 ( -4.041 0.377 0.000) 4.059 30.341 ( 1.134 -1.612 0.000) 1.971 30.757 ( -8.468 0.097 0.000) 8.469 30.849 ( -2.240 2.437 0.000) 3.310 30.998 ( 2.092 1.398 0.000) 2.516 31.301 ( 4.449 0.611 0.000) 4.491 31.416 ( -6.838 1.206 0.000) 6.944 31.548 ( -1.276 3.843 0.000) 4.050 31.899 ( 9.651 11.700 0.000) 15.167 32.980 ( -20.394 4.569 0.000) 20.899 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.40 0.22 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 25.600 7.020 0.000) 26.545 2.011 ( 21.581 6.759 0.000) 22.615 2.323 ( 2.745 20.718 0.000) 20.899 2.432 ( -2.505 23.392 0.000) 23.525 2.474 ( -11.667 2.829 0.000) 12.005 2.601 ( -17.232 3.500 0.000) 17.584 2.821 ( 8.800 7.723 0.000) 11.708 3.083 ( -14.806 8.376 0.000) 17.011 3.225 ( 4.381 0.785 0.000) 4.451 3.330 ( -2.720 4.461 0.000) 5.225 3.609 ( 3.273 9.333 0.000) 9.890 3.644 ( 6.510 5.015 0.000) 8.218 3.809 ( 2.338 9.470 0.000) 9.754 3.954 ( -3.336 11.189 0.000) 11.675 4.132 ( 1.325 -3.659 0.000) 3.891 4.157 ( 0.923 -4.978 0.000) 5.063 4.249 ( 8.098 1.650 0.000) 8.264 4.364 ( -1.905 1.576 0.000) 2.472 4.447 ( 2.219 5.179 0.000) 5.634 4.538 ( -3.820 -0.488 0.000) 3.851 4.736 ( 0.518 -3.733 0.000) 3.768 4.780 ( -3.407 -3.451 0.000) 4.850 5.045 ( 7.350 -2.363 0.000) 7.721 5.077 ( 2.564 -0.173 0.000) 2.570 5.182 ( -0.750 -1.416 0.000) 1.602 5.289 ( -0.874 -4.033 0.000) 4.127 5.440 ( 2.111 -2.306 0.000) 3.127 5.471 ( 2.344 -3.658 0.000) 4.345 5.729 ( -2.927 1.377 0.000) 3.234 5.793 ( -5.393 -1.775 0.000) 5.678 5.860 ( 6.924 1.914 0.000) 7.183 5.911 ( 10.024 -0.948 0.000) 10.068 6.087 ( 4.592 0.846 0.000) 4.669 6.139 ( -2.324 3.634 0.000) 4.313 6.345 ( 1.552 -3.122 0.000) 3.487 6.481 ( 2.797 -3.393 0.000) 4.397 6.566 ( 1.007 -2.152 0.000) 2.376 6.650 ( -6.279 -0.404 0.000) 6.292 6.728 ( -3.509 1.003 0.000) 3.650 6.946 ( -11.897 -3.190 0.000) 12.317 7.098 ( -6.759 -4.120 0.000) 7.916 7.128 ( -8.215 -1.683 0.000) 8.386 7.344 ( 4.934 1.894 0.000) 5.286 7.475 ( -7.673 1.307 0.000) 7.784 7.758 ( 4.491 -1.707 0.000) 4.804 7.836 ( -4.356 -1.492 0.000) 4.605 8.159 ( -2.572 2.925 0.000) 3.895 8.227 ( -5.990 0.202 0.000) 5.994 8.419 ( 2.236 -6.603 0.000) 6.972 8.538 ( -9.334 -7.823 0.000) 12.179 8.738 ( 8.223 -4.863 0.000) 9.553 8.856 ( -0.872 -5.225 0.000) 5.297 9.151 ( -5.556 -0.312 0.000) 5.565 9.178 ( -6.366 0.027 0.000) 6.366 10.109 ( 7.618 -1.265 0.000) 7.722 10.144 ( 5.273 -0.438 0.000) 5.292 10.578 ( 7.093 0.818 0.000) 7.140 10.652 ( 5.401 -1.537 0.000) 5.615 10.865 ( -7.023 0.973 0.000) 7.090 10.935 ( -5.706 -2.048 0.000) 6.062 11.331 ( 10.629 1.954 0.000) 10.807 11.487 ( -7.255 2.466 0.000) 7.662 11.757 ( 29.511 -1.689 0.000) 29.559 12.290 ( -19.453 -1.849 0.000) 19.541 12.768 ( -2.439 0.424 0.000) 2.476 12.859 ( -6.919 0.407 0.000) 6.931 13.368 ( 4.596 -4.431 0.000) 6.385 13.419 ( 0.868 -0.110 0.000) 0.875 13.717 ( 0.335 0.375 0.000) 0.502 13.794 ( -5.667 -1.091 0.000) 5.771 14.215 ( 7.030 -8.375 0.000) 10.935 14.271 ( 3.341 -12.924 0.000) 13.349 14.912 ( 11.591 0.760 0.000) 11.616 15.009 ( 14.876 0.673 0.000) 14.891 15.171 ( -6.059 -0.154 0.000) 6.061 15.411 ( -15.272 1.215 0.000) 15.320 18.299 ( 5.475 -1.275 0.000) 5.622 18.486 ( -11.337 -2.624 0.000) 11.637 18.875 ( 10.649 -1.099 0.000) 10.705 19.065 ( -6.111 -1.491 0.000) 6.290 20.026 ( 0.285 -1.315 0.000) 1.346 20.131 ( -9.594 -1.317 0.000) 9.684 21.610 ( 17.795 -0.895 0.000) 17.818 21.815 ( 2.710 -1.449 0.000) 3.073 22.217 ( -5.939 0.627 0.000) 5.972 22.309 ( -12.245 -0.396 0.000) 12.252 23.195 ( 5.282 -1.772 0.000) 5.571 23.275 ( -0.772 -0.907 0.000) 1.191 26.855 ( 0.271 0.008 0.000) 0.271 26.859 ( -0.039 0.062 0.000) 0.073 27.169 ( 4.964 0.006 0.000) 4.964 27.269 ( -4.220 -0.004 0.000) 4.220 28.528 ( 16.727 0.294 0.000) 16.730 28.608 ( 28.181 -17.924 0.000) 33.399 28.867 ( -14.484 0.987 0.000) 14.518 29.083 ( -16.220 -12.009 0.000) 20.182 29.645 ( 10.952 -9.016 0.000) 14.186 29.827 ( -6.620 -3.164 0.000) 7.337 30.002 ( 9.117 0.502 0.000) 9.131 30.254 ( -11.191 -4.869 0.000) 12.204 30.656 ( 1.653 1.735 0.000) 2.396 30.756 ( -5.797 2.401 0.000) 6.275 31.094 ( 6.469 1.907 0.000) 6.744 31.249 ( -7.754 0.989 0.000) 7.817 31.411 ( 4.735 2.528 0.000) 5.368 31.499 ( -3.330 3.651 0.000) 4.942 32.159 ( 14.835 12.947 0.000) 19.690 32.530 ( -20.145 12.332 0.000) 23.620 ======================= Grid point 15 (10/60) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.000 14.436 0.000) 14.436 1.616 ( 0.000 23.552 0.000) 23.552 2.455 ( 0.000 13.872 0.000) 13.872 2.626 ( 0.000 1.441 0.000) 1.441 2.729 ( 0.000 7.189 0.000) 7.189 2.838 ( 0.000 2.639 0.000) 2.639 3.263 ( 0.000 23.431 0.000) 23.431 3.329 ( 0.000 11.412 0.000) 11.412 3.388 ( 0.000 -5.265 0.000) 5.265 3.504 ( 0.000 13.703 0.000) 13.703 3.593 ( 0.000 -1.820 0.000) 1.820 3.788 ( 0.000 -2.411 0.000) 2.411 3.856 ( 0.000 4.002 0.000) 4.002 3.883 ( 0.000 1.267 0.000) 1.267 4.080 ( 0.000 -1.554 0.000) 1.554 4.117 ( 0.000 10.163 0.000) 10.163 4.203 ( 0.000 2.594 0.000) 2.594 4.306 ( 0.000 0.225 0.000) 0.225 4.567 ( 0.000 -1.070 0.000) 1.070 4.612 ( 0.000 -0.711 0.000) 0.711 4.726 ( 0.000 -0.258 0.000) 0.258 4.774 ( 0.000 4.213 0.000) 4.213 4.939 ( 0.000 -5.857 0.000) 5.857 5.028 ( 0.000 4.024 0.000) 4.024 5.151 ( 0.000 -1.857 0.000) 1.857 5.158 ( 0.000 -5.347 0.000) 5.347 5.251 ( 0.000 -0.288 0.000) 0.288 5.336 ( 0.000 0.294 0.000) 0.294 5.512 ( 0.000 -5.345 0.000) 5.345 5.622 ( 0.000 6.884 0.000) 6.884 5.802 ( 0.000 0.349 0.000) 0.349 5.968 ( 0.000 -1.359 0.000) 1.359 6.059 ( 0.000 -8.259 0.000) 8.259 6.122 ( 0.000 -1.742 0.000) 1.742 6.267 ( 0.000 3.632 0.000) 3.632 6.268 ( 0.000 -3.624 0.000) 3.624 6.530 ( 0.000 -4.595 0.000) 4.595 6.687 ( 0.000 -3.858 0.000) 3.858 6.842 ( 0.000 -2.007 0.000) 2.007 7.092 ( 0.000 -8.665 0.000) 8.665 7.176 ( 0.000 -1.843 0.000) 1.843 7.395 ( 0.000 1.846 0.000) 1.846 7.555 ( 0.000 0.496 0.000) 0.496 7.576 ( 0.000 -10.144 0.000) 10.144 7.958 ( 0.000 -5.923 0.000) 5.923 8.027 ( 0.000 -3.126 0.000) 3.126 8.062 ( 0.000 -3.476 0.000) 3.476 8.066 ( 0.000 -2.244 0.000) 2.244 8.514 ( 0.000 5.797 0.000) 5.797 8.576 ( 0.000 -4.040 0.000) 4.040 8.930 ( 0.000 -3.245 0.000) 3.245 9.197 ( 0.000 -1.006 0.000) 1.006 9.269 ( 0.000 -2.123 0.000) 2.123 9.459 ( 0.000 -1.315 0.000) 1.315 9.779 ( 0.000 4.108 0.000) 4.108 10.045 ( 0.000 -1.212 0.000) 1.212 10.261 ( 0.000 -0.641 0.000) 0.641 10.427 ( 0.000 1.221 0.000) 1.221 10.653 ( 0.000 -1.859 0.000) 1.859 10.654 ( 0.000 0.255 0.000) 0.255 11.134 ( 0.000 0.604 0.000) 0.604 11.140 ( 0.000 1.165 0.000) 1.165 12.053 ( 0.000 0.345 0.000) 0.345 12.268 ( 0.000 1.709 0.000) 1.709 12.797 ( 0.000 0.055 0.000) 0.055 13.167 ( 0.000 -0.861 0.000) 0.861 13.254 ( 0.000 1.500 0.000) 1.500 13.332 ( 0.000 0.140 0.000) 0.140 13.709 ( 0.000 -0.450 0.000) 0.450 13.923 ( 0.000 1.638 0.000) 1.638 14.000 ( 0.000 -2.379 0.000) 2.379 14.078 ( 0.000 -1.271 0.000) 1.271 14.347 ( 0.000 -2.587 0.000) 2.587 14.539 ( 0.000 0.306 0.000) 0.306 15.386 ( 0.000 0.125 0.000) 0.125 15.770 ( 0.000 0.603 0.000) 0.603 18.246 ( 0.000 -1.412 0.000) 1.412 18.593 ( 0.000 1.901 0.000) 1.901 18.852 ( 0.000 -1.515 0.000) 1.515 19.092 ( 0.000 -2.979 0.000) 2.979 20.075 ( 0.000 -0.774 0.000) 0.774 20.533 ( 0.000 -1.070 0.000) 1.070 21.057 ( 0.000 -3.549 0.000) 3.549 21.583 ( 0.000 -0.119 0.000) 0.119 22.267 ( 0.000 0.110 0.000) 0.110 22.827 ( 0.000 -0.362 0.000) 0.362 23.052 ( 0.000 -0.479 0.000) 0.479 23.132 ( 0.000 -2.051 0.000) 2.051 26.850 ( 0.000 0.042 0.000) 0.042 26.855 ( 0.000 0.010 0.000) 0.010 27.034 ( 0.000 0.173 0.000) 0.173 27.292 ( 0.000 -0.051 0.000) 0.051 27.376 ( 0.000 0.316 0.000) 0.316 28.173 ( 0.000 1.724 0.000) 1.724 29.152 ( 0.000 -3.897 0.000) 3.897 29.257 ( 0.000 -3.394 0.000) 3.394 29.333 ( 0.000 -3.744 0.000) 3.744 29.922 ( 0.000 3.568 0.000) 3.568 30.025 ( 0.000 1.522 0.000) 1.522 30.279 ( 0.000 -2.779 0.000) 2.779 30.860 ( 0.000 -4.954 0.000) 4.954 30.936 ( 0.000 4.293 0.000) 4.293 30.999 ( 0.000 3.995 0.000) 3.995 31.280 ( 0.000 3.210 0.000) 3.210 31.537 ( 0.000 0.489 0.000) 0.489 31.603 ( 0.000 2.101 0.000) 2.101 32.011 ( 0.000 10.674 0.000) 10.674 33.141 ( 0.000 -4.877 0.000) 4.877 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 15.241 11.376 0.000) 19.019 1.734 ( 10.868 10.250 0.000) 14.939 2.584 ( -1.475 -2.041 0.000) 2.519 2.658 ( 3.830 16.726 0.000) 17.159 2.746 ( 0.620 5.700 0.000) 5.734 2.890 ( 8.927 5.614 0.000) 10.546 3.162 ( -6.482 18.986 0.000) 20.062 3.271 ( -5.637 8.199 0.000) 9.950 3.386 ( 1.571 5.160 0.000) 5.394 3.520 ( -1.470 10.292 0.000) 10.396 3.563 ( 2.551 5.198 0.000) 5.791 3.790 ( -3.872 4.063 0.000) 5.613 3.843 ( 1.581 -4.304 0.000) 4.585 3.950 ( 3.089 4.127 0.000) 5.155 4.049 ( 0.364 1.468 0.000) 1.512 4.170 ( 3.691 2.115 0.000) 4.254 4.251 ( 4.232 4.955 0.000) 6.516 4.396 ( 5.473 -1.217 0.000) 5.606 4.472 ( -4.578 -0.527 0.000) 4.608 4.576 ( -4.832 1.115 0.000) 4.959 4.647 ( -0.508 1.702 0.000) 1.776 4.770 ( -1.998 -3.517 0.000) 4.044 5.000 ( 2.144 -2.343 0.000) 3.176 5.052 ( 4.743 -2.253 0.000) 5.251 5.140 ( -1.473 4.681 0.000) 4.908 5.190 ( -1.532 0.250 0.000) 1.552 5.362 ( 11.649 -3.422 0.000) 12.142 5.470 ( -0.088 -1.655 0.000) 1.657 5.558 ( 9.200 -0.037 0.000) 9.200 5.626 ( 4.148 -1.940 0.000) 4.579 5.729 ( 0.773 -0.369 0.000) 0.857 5.940 ( -3.717 -1.890 0.000) 4.170 6.001 ( -8.494 -2.611 0.000) 8.887 6.134 ( 4.856 -3.221 0.000) 5.827 6.267 ( 2.618 -2.641 0.000) 3.718 6.389 ( 6.412 -0.215 0.000) 6.416 6.483 ( -3.606 -2.708 0.000) 4.509 6.772 ( 4.271 -0.523 0.000) 4.303 6.812 ( -3.307 -2.245 0.000) 3.997 7.012 ( -7.013 -4.984 0.000) 8.603 7.220 ( 1.699 -1.434 0.000) 2.223 7.260 ( -6.786 -2.720 0.000) 7.311 7.462 ( -10.620 0.912 0.000) 10.659 7.629 ( -1.853 -5.379 0.000) 5.689 7.699 ( -8.746 2.964 0.000) 9.235 7.949 ( -7.430 -2.051 0.000) 7.707 8.143 ( 5.405 -3.506 0.000) 6.442 8.246 ( 7.061 -8.026 0.000) 10.690 8.427 ( -9.999 4.674 0.000) 11.037 8.538 ( -1.967 -2.595 0.000) 3.256 8.673 ( -15.170 -5.174 0.000) 16.028 8.806 ( -10.671 -4.978 0.000) 11.774 9.323 ( -7.564 -0.229 0.000) 7.567 9.384 ( -11.294 -0.467 0.000) 11.304 9.919 ( 9.022 1.822 0.000) 9.204 10.026 ( 1.786 1.644 0.000) 2.427 10.347 ( 17.634 -1.868 0.000) 17.733 10.552 ( -0.872 -0.812 0.000) 1.192 10.847 ( 8.816 -0.983 0.000) 8.870 10.966 ( 16.907 -0.786 0.000) 16.925 11.098 ( 7.351 -0.177 0.000) 7.353 11.187 ( 6.933 1.719 0.000) 7.143 11.804 ( -16.057 0.711 0.000) 16.073 12.462 ( 4.917 -0.901 0.000) 4.999 12.792 ( 4.484 -0.267 0.000) 4.492 12.950 ( -12.053 0.088 0.000) 12.054 13.306 ( -5.291 -1.793 0.000) 5.586 13.371 ( 4.279 0.485 0.000) 4.306 13.765 ( 1.566 1.055 0.000) 1.888 13.899 ( -4.905 -0.790 0.000) 4.968 13.966 ( 4.366 -2.100 0.000) 4.845 13.997 ( -1.350 -4.381 0.000) 4.584 14.589 ( 17.869 -0.572 0.000) 17.878 14.707 ( 11.898 0.152 0.000) 11.899 15.325 ( -5.609 0.132 0.000) 5.611 15.685 ( -8.108 0.689 0.000) 8.137 18.246 ( 0.202 -0.597 0.000) 0.630 18.628 ( 0.781 1.004 0.000) 1.272 18.739 ( -5.826 -2.110 0.000) 6.196 19.094 ( -0.456 -1.814 0.000) 1.870 20.044 ( -2.891 -1.254 0.000) 3.151 20.366 ( -12.913 -1.021 0.000) 12.953 21.217 ( 14.233 -2.407 0.000) 14.435 21.666 ( 6.474 -0.269 0.000) 6.479 22.315 ( 1.310 0.284 0.000) 1.340 22.596 ( -14.875 -0.547 0.000) 14.885 23.095 ( -1.231 -2.161 0.000) 2.487 23.196 ( 6.650 -0.590 0.000) 6.676 26.851 ( 0.064 -0.013 0.000) 0.065 26.858 ( 0.228 0.085 0.000) 0.244 27.075 ( 3.549 0.060 0.000) 3.550 27.341 ( -2.280 0.083 0.000) 2.282 27.631 ( 27.728 -5.455 0.000) 28.259 28.291 ( 10.591 1.891 0.000) 10.758 29.121 ( -6.822 -0.365 0.000) 6.832 29.206 ( -9.301 -5.174 0.000) 10.643 29.290 ( 4.593 -6.048 0.000) 7.594 29.945 ( 0.958 2.678 0.000) 2.844 29.954 ( -5.388 0.433 0.000) 5.406 30.288 ( -0.689 -3.218 0.000) 3.291 30.734 ( -6.506 -1.321 0.000) 6.638 30.917 ( -2.628 3.576 0.000) 4.438 31.054 ( 2.767 3.113 0.000) 4.165 31.337 ( 4.557 2.642 0.000) 5.267 31.428 ( -6.743 0.084 0.000) 6.744 31.622 ( -0.520 3.250 0.000) 3.291 32.116 ( 9.152 9.577 0.000) 13.247 32.998 ( -12.293 -1.367 0.000) 12.369 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 16.362 -0.747 0.000) 16.379 2.053 ( 19.483 5.540 0.000) 20.256 2.404 ( -12.520 -3.693 0.000) 13.053 2.496 ( -15.690 0.775 0.000) 15.709 2.843 ( 5.819 12.819 0.000) 14.078 2.951 ( -3.764 17.793 0.000) 18.186 3.107 ( 2.112 16.358 0.000) 16.493 3.237 ( -2.139 6.743 0.000) 7.074 3.332 ( -2.988 11.077 0.000) 11.473 3.447 ( -5.284 8.879 0.000) 10.333 3.721 ( 6.177 3.969 0.000) 7.342 3.756 ( 1.399 5.103 0.000) 5.291 3.925 ( 9.470 -0.019 0.000) 9.471 4.013 ( 3.846 -1.596 0.000) 4.164 4.082 ( 0.030 -0.381 0.000) 0.382 4.180 ( -9.796 5.892 0.000) 11.432 4.294 ( 4.441 2.268 0.000) 4.986 4.348 ( -2.481 -2.624 0.000) 3.611 4.575 ( 2.089 1.732 0.000) 2.714 4.589 ( 3.027 5.418 0.000) 6.206 4.664 ( 6.646 -2.041 0.000) 6.952 4.754 ( 0.397 2.397 0.000) 2.429 4.995 ( 1.740 -2.030 0.000) 2.674 5.089 ( -1.045 0.205 0.000) 1.065 5.162 ( 0.401 -0.219 0.000) 0.457 5.195 ( -1.066 -5.064 0.000) 5.175 5.389 ( -2.434 -1.946 0.000) 3.116 5.424 ( -3.004 -1.182 0.000) 3.228 5.718 ( 2.802 -1.715 0.000) 3.285 5.754 ( -2.066 -2.644 0.000) 3.356 5.852 ( 8.519 -2.187 0.000) 8.795 5.904 ( 11.154 -0.683 0.000) 11.175 6.088 ( 7.488 0.363 0.000) 7.497 6.196 ( -2.117 1.532 0.000) 2.613 6.270 ( 1.556 -3.186 0.000) 3.546 6.418 ( -1.313 -2.855 0.000) 3.143 6.542 ( 4.648 -0.211 0.000) 4.652 6.621 ( -8.819 -2.014 0.000) 9.046 6.771 ( -4.008 3.008 0.000) 5.011 6.893 ( -5.773 -2.187 0.000) 6.173 7.042 ( -8.134 -1.559 0.000) 8.282 7.102 ( -11.463 -1.348 0.000) 11.542 7.358 ( 4.576 -0.484 0.000) 4.601 7.474 ( -6.451 -1.327 0.000) 6.587 7.727 ( 3.762 -0.719 0.000) 3.830 7.811 ( -4.357 -0.749 0.000) 4.421 8.194 ( -0.126 0.263 0.000) 0.292 8.251 ( -3.379 1.651 0.000) 3.761 8.298 ( -0.490 -4.278 0.000) 4.306 8.398 ( -9.872 -5.814 0.000) 11.457 8.642 ( 7.519 -4.412 0.000) 8.718 8.726 ( 1.181 -7.364 0.000) 7.458 9.133 ( -7.030 -1.018 0.000) 7.103 9.160 ( -7.439 -1.574 0.000) 7.603 10.090 ( 6.200 -0.527 0.000) 6.222 10.140 ( 2.865 -0.081 0.000) 2.866 10.573 ( 7.861 -1.357 0.000) 7.977 10.615 ( 5.102 -1.756 0.000) 5.396 10.887 ( -7.173 0.727 0.000) 7.210 10.902 ( -5.544 -0.886 0.000) 5.614 11.369 ( 11.629 1.664 0.000) 11.748 11.533 ( -6.371 2.037 0.000) 6.689 11.725 ( 28.700 -1.379 0.000) 28.733 12.259 ( -19.641 -1.173 0.000) 19.676 12.775 ( -2.287 0.297 0.000) 2.306 12.869 ( -6.700 0.543 0.000) 6.722 13.273 ( 8.950 -4.232 0.000) 9.900 13.421 ( -1.267 -0.032 0.000) 1.268 13.735 ( -1.643 1.012 0.000) 1.929 13.778 ( -5.424 -0.492 0.000) 5.447 14.070 ( 4.162 -5.995 0.000) 7.299 14.081 ( 3.674 -6.074 0.000) 7.099 14.931 ( 11.395 1.059 0.000) 11.444 15.019 ( 16.966 0.237 0.000) 16.967 15.171 ( -6.629 0.117 0.000) 6.630 15.429 ( -15.749 0.585 0.000) 15.760 18.286 ( 4.539 -0.173 0.000) 4.543 18.450 ( -10.470 -1.021 0.000) 10.520 18.855 ( 9.953 -0.889 0.000) 9.993 19.036 ( -5.829 -1.311 0.000) 5.974 19.999 ( 0.381 -1.281 0.000) 1.336 20.106 ( -9.712 -1.095 0.000) 9.773 21.585 ( 17.956 -1.376 0.000) 18.008 21.790 ( 1.968 -1.007 0.000) 2.210 22.226 ( -6.250 0.321 0.000) 6.259 22.300 ( -11.655 -0.469 0.000) 11.665 23.157 ( 6.074 -1.827 0.000) 6.343 23.254 ( -1.458 -1.073 0.000) 1.810 26.855 ( 0.303 0.012 0.000) 0.304 26.860 ( -0.092 0.048 0.000) 0.104 27.168 ( 4.888 -0.060 0.000) 4.888 27.269 ( -4.315 -0.032 0.000) 4.315 28.298 ( 31.476 -10.470 0.000) 33.172 28.579 ( 15.422 1.989 0.000) 15.550 28.863 ( -20.209 -6.809 0.000) 21.325 28.903 ( -14.982 -0.363 0.000) 14.986 29.491 ( 12.233 -6.256 0.000) 13.740 29.755 ( -11.632 -3.600 0.000) 12.176 30.024 ( 5.553 1.174 0.000) 5.676 30.182 ( -8.377 -2.402 0.000) 8.714 30.706 ( 3.742 2.756 0.000) 4.648 30.822 ( -5.857 3.533 0.000) 6.839 31.130 ( 4.862 1.532 0.000) 5.097 31.259 ( -7.095 0.013 0.000) 7.095 31.471 ( 5.753 3.167 0.000) 6.567 31.575 ( -3.742 3.630 0.000) 5.214 32.365 ( 13.883 7.788 0.000) 15.919 32.686 ( -15.885 4.343 0.000) 16.468 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 0.44 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.000 4.402 0.000) 4.402 2.007 ( 0.000 13.567 0.000) 13.567 2.533 ( 0.000 -6.385 0.000) 6.385 2.546 ( 0.000 0.090 0.000) 0.090 2.861 ( 0.000 4.511 0.000) 4.511 2.955 ( 0.000 5.894 0.000) 5.894 3.226 ( 0.000 -5.932 0.000) 5.932 3.440 ( 0.000 -4.055 0.000) 4.055 3.588 ( 0.000 9.321 0.000) 9.321 3.706 ( 0.000 7.927 0.000) 7.927 3.733 ( 0.000 -3.652 0.000) 3.652 3.797 ( 0.000 14.489 0.000) 14.489 3.920 ( 0.000 1.904 0.000) 1.904 3.921 ( 0.000 1.744 0.000) 1.744 4.084 ( 0.000 3.544 0.000) 3.544 4.243 ( 0.000 1.389 0.000) 1.389 4.250 ( 0.000 -7.495 0.000) 7.495 4.273 ( 0.000 3.196 0.000) 3.196 4.622 ( 0.000 8.257 0.000) 8.257 4.639 ( 0.000 1.933 0.000) 1.933 4.700 ( 0.000 -0.898 0.000) 0.898 4.796 ( 0.000 -4.760 0.000) 4.760 4.834 ( 0.000 -3.880 0.000) 3.880 5.029 ( 0.000 -3.316 0.000) 3.316 5.114 ( 0.000 -1.291 0.000) 1.291 5.126 ( 0.000 3.022 0.000) 3.022 5.262 ( 0.000 0.922 0.000) 0.922 5.322 ( 0.000 -1.118 0.000) 1.118 5.418 ( 0.000 -2.839 0.000) 2.839 5.741 ( 0.000 3.634 0.000) 3.634 5.817 ( 0.000 0.935 0.000) 0.935 5.905 ( 0.000 -5.390 0.000) 5.390 5.950 ( 0.000 -0.627 0.000) 0.627 6.021 ( 0.000 -4.470 0.000) 4.470 6.218 ( 0.000 -1.266 0.000) 1.266 6.364 ( 0.000 2.812 0.000) 2.812 6.475 ( 0.000 -1.222 0.000) 1.222 6.683 ( 0.000 3.072 0.000) 3.072 6.804 ( 0.000 -1.256 0.000) 1.256 6.932 ( 0.000 -6.559 0.000) 6.559 7.146 ( 0.000 -0.955 0.000) 0.955 7.381 ( 0.000 -6.406 0.000) 6.406 7.432 ( 0.000 1.255 0.000) 1.255 7.573 ( 0.000 0.530 0.000) 0.530 7.889 ( 0.000 -1.493 0.000) 1.493 7.975 ( 0.000 -1.435 0.000) 1.435 8.024 ( 0.000 -0.849 0.000) 0.849 8.036 ( 0.000 -0.782 0.000) 0.782 8.519 ( 0.000 -1.518 0.000) 1.518 8.607 ( 0.000 2.948 0.000) 2.948 8.872 ( 0.000 -2.038 0.000) 2.038 9.182 ( 0.000 -0.430 0.000) 0.430 9.250 ( 0.000 -0.131 0.000) 0.131 9.428 ( 0.000 -1.238 0.000) 1.238 9.850 ( 0.000 2.513 0.000) 2.513 10.009 ( 0.000 -1.756 0.000) 1.756 10.252 ( 0.000 -0.244 0.000) 0.244 10.449 ( 0.000 0.719 0.000) 0.719 10.623 ( 0.000 -0.875 0.000) 0.875 10.655 ( 0.000 -0.064 0.000) 0.064 11.143 ( 0.000 0.232 0.000) 0.232 11.156 ( 0.000 0.408 0.000) 0.408 12.057 ( 0.000 0.096 0.000) 0.096 12.294 ( 0.000 0.712 0.000) 0.712 12.798 ( 0.000 0.032 0.000) 0.032 13.155 ( 0.000 -0.325 0.000) 0.325 13.276 ( 0.000 0.630 0.000) 0.630 13.334 ( 0.000 0.079 0.000) 0.079 13.702 ( 0.000 -0.221 0.000) 0.221 13.948 ( 0.000 0.734 0.000) 0.734 13.967 ( 0.000 -0.862 0.000) 0.862 14.059 ( 0.000 -0.517 0.000) 0.517 14.309 ( 0.000 -1.072 0.000) 1.072 14.544 ( 0.000 0.114 0.000) 0.114 15.387 ( 0.000 0.032 0.000) 0.032 15.777 ( 0.000 0.161 0.000) 0.161 18.226 ( 0.000 -0.514 0.000) 0.514 18.623 ( 0.000 0.910 0.000) 0.910 18.831 ( 0.000 -0.530 0.000) 0.530 19.047 ( 0.000 -1.267 0.000) 1.267 20.065 ( 0.000 -0.264 0.000) 0.264 20.518 ( 0.000 -0.391 0.000) 0.391 21.007 ( 0.000 -1.329 0.000) 1.329 21.581 ( 0.000 -0.051 0.000) 0.051 22.267 ( 0.000 -0.050 0.000) 0.050 22.821 ( 0.000 -0.167 0.000) 0.167 23.045 ( 0.000 -0.172 0.000) 0.172 23.103 ( 0.000 -0.819 0.000) 0.819 26.850 ( 0.000 -0.014 0.000) 0.014 26.856 ( 0.000 0.032 0.000) 0.032 27.036 ( 0.000 0.047 0.000) 0.047 27.291 ( 0.000 -0.025 0.000) 0.025 27.380 ( 0.000 0.124 0.000) 0.124 28.200 ( 0.000 0.781 0.000) 0.781 29.092 ( 0.000 -1.691 0.000) 1.691 29.214 ( 0.000 -1.059 0.000) 1.059 29.278 ( 0.000 -1.526 0.000) 1.526 29.979 ( 0.000 1.736 0.000) 1.736 30.046 ( 0.000 0.529 0.000) 0.529 30.229 ( 0.000 -1.709 0.000) 1.709 30.792 ( 0.000 -1.750 0.000) 1.750 31.000 ( 0.000 1.827 0.000) 1.827 31.049 ( 0.000 1.142 0.000) 1.142 31.340 ( 0.000 2.035 0.000) 2.035 31.539 ( 0.000 -0.128 0.000) 0.128 31.632 ( 0.000 0.767 0.000) 0.767 32.172 ( 0.000 4.655 0.000) 4.655 33.061 ( 0.000 -2.479 0.000) 2.479 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.20 0.44 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 11.173 3.675 0.000) 11.762 1.889 ( -0.145 4.527 0.000) 4.529 2.500 ( -2.857 -3.212 0.000) 4.298 2.800 ( -10.923 2.388 0.000) 11.181 2.882 ( 3.110 3.015 0.000) 4.332 3.008 ( 23.747 6.687 0.000) 24.671 3.225 ( -2.978 -3.274 0.000) 4.425 3.376 ( 2.328 0.055 0.000) 2.328 3.645 ( -5.556 6.801 0.000) 8.782 3.673 ( 1.127 2.889 0.000) 3.101 3.715 ( 0.766 7.773 0.000) 7.811 3.797 ( -0.347 6.899 0.000) 6.908 3.875 ( -1.885 3.542 0.000) 4.012 4.023 ( 0.127 1.102 0.000) 1.109 4.076 ( 4.196 -0.021 0.000) 4.196 4.154 ( 0.768 -2.222 0.000) 2.351 4.326 ( 0.655 -0.824 0.000) 1.052 4.352 ( 4.248 -0.268 0.000) 4.257 4.462 ( -2.451 0.900 0.000) 2.611 4.636 ( -3.648 3.470 0.000) 5.034 4.684 ( -5.194 -1.947 0.000) 5.547 4.736 ( 0.872 2.210 0.000) 2.376 4.936 ( 5.520 -2.861 0.000) 6.217 5.019 ( 0.592 -1.197 0.000) 1.336 5.187 ( -4.552 0.254 0.000) 4.559 5.225 ( 0.871 2.214 0.000) 2.379 5.299 ( 17.399 -1.749 0.000) 17.487 5.387 ( 9.047 -3.983 0.000) 9.885 5.586 ( -1.520 1.539 0.000) 2.163 5.606 ( -2.219 -0.568 0.000) 2.290 5.744 ( 3.930 1.499 0.000) 4.206 5.879 ( -3.648 -3.490 0.000) 5.049 5.930 ( -6.910 -2.764 0.000) 7.442 6.077 ( 9.355 -1.756 0.000) 9.519 6.269 ( 2.195 2.105 0.000) 3.041 6.356 ( -1.343 -2.730 0.000) 3.043 6.477 ( 2.792 0.731 0.000) 2.887 6.753 ( -5.144 -1.447 0.000) 5.344 6.815 ( 7.252 2.958 0.000) 7.832 6.928 ( -1.582 -3.635 0.000) 3.964 7.177 ( 1.686 -1.614 0.000) 2.334 7.201 ( -8.155 -2.744 0.000) 8.605 7.487 ( -8.754 1.342 0.000) 8.856 7.545 ( -0.085 -2.399 0.000) 2.401 7.761 ( -7.044 2.452 0.000) 7.459 7.915 ( -6.588 -1.389 0.000) 6.733 8.094 ( 5.263 -1.252 0.000) 5.410 8.120 ( 6.569 -3.565 0.000) 7.474 8.475 ( -4.479 -0.703 0.000) 4.534 8.541 ( -4.839 3.397 0.000) 5.912 8.602 ( -19.884 -2.012 0.000) 19.986 8.714 ( -13.128 -3.648 0.000) 13.625 9.320 ( -8.094 -0.011 0.000) 8.094 9.372 ( -10.651 -0.487 0.000) 10.662 9.949 ( 7.023 0.910 0.000) 7.081 10.048 ( 1.496 0.574 0.000) 1.602 10.315 ( 17.706 -1.000 0.000) 17.734 10.535 ( -1.019 -0.601 0.000) 1.183 10.833 ( 8.157 -0.386 0.000) 8.167 10.953 ( 20.773 -0.376 0.000) 20.776 11.097 ( 2.500 -0.013 0.000) 2.500 11.212 ( 8.106 0.662 0.000) 8.133 11.814 ( -15.462 0.226 0.000) 15.464 12.456 ( 3.640 -0.007 0.000) 3.640 12.790 ( 3.970 -0.008 0.000) 3.970 12.951 ( -11.878 0.012 0.000) 11.878 13.284 ( -7.440 -0.487 0.000) 7.456 13.382 ( 4.696 0.362 0.000) 4.710 13.783 ( 4.234 0.590 0.000) 4.275 13.870 ( -4.498 -1.208 0.000) 4.657 13.936 ( -5.064 -1.590 0.000) 5.308 13.956 ( 1.522 0.120 0.000) 1.527 14.581 ( 19.385 -0.225 0.000) 19.387 14.709 ( 11.736 0.047 0.000) 11.736 15.327 ( -5.541 0.058 0.000) 5.541 15.693 ( -8.053 0.184 0.000) 8.055 18.237 ( 1.001 -0.253 0.000) 1.032 18.658 ( -1.740 1.870 0.000) 2.554 18.698 ( -4.375 -2.078 0.000) 4.843 19.068 ( 0.272 -0.708 0.000) 0.759 20.026 ( -3.215 -0.483 0.000) 3.251 20.351 ( -12.906 -0.376 0.000) 12.912 21.181 ( 15.169 -0.987 0.000) 15.201 21.662 ( 6.220 -0.101 0.000) 6.220 22.318 ( 1.520 0.041 0.000) 1.520 22.588 ( -14.985 -0.223 0.000) 14.987 23.063 ( -1.385 -0.879 0.000) 1.641 23.187 ( 6.469 -0.246 0.000) 6.474 26.850 ( 0.080 -0.009 0.000) 0.080 26.859 ( 0.218 0.034 0.000) 0.221 27.076 ( 3.443 0.004 0.000) 3.443 27.342 ( -2.268 0.029 0.000) 2.268 27.567 ( 22.941 -1.391 0.000) 22.983 28.320 ( 10.756 0.836 0.000) 10.789 29.114 ( -9.139 -0.770 0.000) 9.171 29.148 ( -5.993 0.047 0.000) 5.993 29.192 ( 2.959 -3.668 0.000) 4.713 29.954 ( -8.590 -0.059 0.000) 8.590 29.990 ( 1.193 1.262 0.000) 1.737 30.235 ( -0.992 -1.632 0.000) 1.909 30.717 ( -3.030 -0.412 0.000) 3.058 30.971 ( -2.890 1.522 0.000) 3.266 31.100 ( 2.516 1.252 0.000) 2.811 31.388 ( 2.880 2.113 0.000) 3.572 31.421 ( -5.913 -0.786 0.000) 5.965 31.668 ( 0.340 1.234 0.000) 1.280 32.258 ( 7.681 4.015 0.000) 8.667 32.964 ( -8.622 -1.358 0.000) 8.728 ======================= Grid point 22 (15/60) ======================= q-point: ( 0.40 0.44 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 13.633 -0.408 0.000) 13.639 2.144 ( 16.109 3.059 0.000) 16.397 2.338 ( -12.032 -2.465 0.000) 12.282 2.506 ( -16.235 0.318 0.000) 16.239 3.000 ( 8.090 4.006 0.000) 9.027 3.144 ( -3.974 2.332 0.000) 4.608 3.215 ( 3.963 2.478 0.000) 4.674 3.384 ( -12.649 2.515 0.000) 12.897 3.596 ( 0.213 10.019 0.000) 10.022 3.632 ( 0.333 5.692 0.000) 5.701 3.812 ( 1.782 3.104 0.000) 3.579 3.820 ( 1.982 1.353 0.000) 2.400 3.912 ( 12.420 2.431 0.000) 12.656 4.034 ( 0.124 3.628 0.000) 3.630 4.092 ( 0.188 -0.389 0.000) 0.432 4.244 ( -6.131 0.221 0.000) 6.135 4.288 ( -3.149 -1.949 0.000) 3.703 4.302 ( 1.778 -1.856 0.000) 2.570 4.569 ( -0.479 -0.924 0.000) 1.040 4.592 ( -2.203 -0.845 0.000) 2.360 4.704 ( 18.291 1.523 0.000) 18.355 4.843 ( 5.168 4.360 0.000) 6.762 4.973 ( 0.306 -0.543 0.000) 0.624 5.075 ( -3.439 -0.839 0.000) 3.540 5.096 ( 1.224 -3.294 0.000) 3.514 5.184 ( -3.843 0.995 0.000) 3.970 5.374 ( -5.622 0.017 0.000) 5.622 5.416 ( -7.749 0.163 0.000) 7.750 5.667 ( 6.766 -2.455 0.000) 7.198 5.722 ( 1.007 -0.376 0.000) 1.075 5.794 ( 12.125 -2.364 0.000) 12.353 5.884 ( 11.619 -0.954 0.000) 11.658 6.109 ( 0.102 1.116 0.000) 1.120 6.207 ( 1.695 0.321 0.000) 1.725 6.234 ( 6.846 -1.011 0.000) 6.920 6.368 ( -0.527 -1.676 0.000) 1.757 6.553 ( 0.351 0.965 0.000) 1.026 6.586 ( -7.573 -1.374 0.000) 7.697 6.828 ( -4.735 2.060 0.000) 5.164 6.862 ( -3.017 -0.851 0.000) 3.135 7.028 ( -7.653 0.005 0.000) 7.653 7.067 ( -10.285 -1.785 0.000) 10.439 7.342 ( 1.883 -0.667 0.000) 1.997 7.439 ( -6.224 -1.422 0.000) 6.385 7.735 ( 2.331 0.884 0.000) 2.493 7.802 ( -3.594 -0.251 0.000) 3.603 8.189 ( 4.064 -0.836 0.000) 4.149 8.205 ( 2.583 -1.640 0.000) 3.059 8.316 ( -9.783 -1.798 0.000) 9.947 8.331 ( -7.991 2.490 0.000) 8.370 8.575 ( 5.264 -1.946 0.000) 5.612 8.595 ( 3.056 -4.677 0.000) 5.586 9.119 ( -8.362 -0.339 0.000) 8.368 9.131 ( -8.126 -0.946 0.000) 8.181 10.085 ( 5.169 -0.088 0.000) 5.169 10.140 ( 1.502 0.008 0.000) 1.502 10.542 ( 7.940 -1.089 0.000) 8.014 10.590 ( 4.574 -0.676 0.000) 4.624 10.880 ( -4.035 -0.364 0.000) 4.051 10.908 ( -7.828 0.396 0.000) 7.838 11.391 ( 12.680 0.557 0.000) 12.692 11.563 ( -6.624 0.863 0.000) 6.681 11.705 ( 28.901 -0.563 0.000) 28.907 12.244 ( -19.979 -0.338 0.000) 19.982 12.779 ( -2.113 0.103 0.000) 2.116 12.878 ( -6.796 0.270 0.000) 6.802 13.215 ( 10.140 -1.462 0.000) 10.245 13.418 ( -3.601 -0.124 0.000) 3.603 13.746 ( -2.639 0.107 0.000) 2.641 13.777 ( -3.997 0.259 0.000) 4.006 13.985 ( 4.378 -2.215 0.000) 4.906 14.012 ( 1.902 -1.500 0.000) 2.422 14.948 ( 10.785 0.522 0.000) 10.797 15.020 ( 19.055 -0.057 0.000) 19.055 15.174 ( -7.213 0.092 0.000) 7.213 15.436 ( -16.034 0.140 0.000) 16.035 18.286 ( 4.360 0.022 0.000) 4.360 18.439 ( -10.043 -0.187 0.000) 10.045 18.842 ( 9.541 -0.319 0.000) 9.546 19.017 ( -5.643 -0.499 0.000) 5.665 19.980 ( 0.526 -0.513 0.000) 0.735 20.091 ( -9.831 -0.415 0.000) 9.840 21.564 ( 18.355 -0.609 0.000) 18.365 21.776 ( 1.383 -0.361 0.000) 1.430 22.230 ( -6.471 0.079 0.000) 6.471 22.292 ( -11.304 -0.214 0.000) 11.306 23.130 ( 6.573 -0.761 0.000) 6.616 23.237 ( -1.936 -0.458 0.000) 1.990 26.855 ( 0.324 0.005 0.000) 0.324 26.861 ( -0.121 0.019 0.000) 0.123 27.167 ( 4.853 -0.040 0.000) 4.853 27.268 ( -4.398 -0.021 0.000) 4.398 28.165 ( 30.441 -3.150 0.000) 30.603 28.610 ( 15.305 0.869 0.000) 15.330 28.752 ( -23.441 -2.940 0.000) 23.624 28.919 ( -13.148 0.650 0.000) 13.164 29.403 ( 12.957 -2.396 0.000) 13.177 29.701 ( -14.253 -1.523 0.000) 14.334 30.041 ( 3.909 0.444 0.000) 3.935 30.152 ( -5.883 -0.765 0.000) 5.933 30.748 ( 5.222 1.205 0.000) 5.359 30.877 ( -5.821 1.584 0.000) 6.033 31.152 ( 3.215 0.634 0.000) 3.277 31.255 ( -6.511 -0.273 0.000) 6.517 31.521 ( 6.100 1.441 0.000) 6.268 31.629 ( -3.769 1.522 0.000) 4.065 32.470 ( 11.774 2.717 0.000) 12.083 32.732 ( -12.391 0.861 0.000) 12.421 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.000 0.000 27.872) 27.872 0.952 ( 0.000 0.000 46.172) 46.172 1.163 ( 0.000 0.000 55.699) 55.699 1.992 ( 0.000 0.000 -0.052) 0.052 2.025 ( 0.000 0.000 10.030) 10.030 2.491 ( 0.000 0.000 4.210) 4.210 2.766 ( 0.000 0.000 -5.320) 5.320 2.870 ( 0.000 0.000 0.791) 0.791 2.972 ( 0.000 0.000 -15.079) 15.079 3.582 ( 0.000 0.000 -22.148) 22.148 3.587 ( 0.000 0.000 -18.533) 18.533 3.678 ( 0.000 0.000 -6.093) 6.093 3.773 ( 0.000 0.000 -9.898) 9.898 3.807 ( 0.000 0.000 -2.897) 2.897 3.869 ( 0.000 0.000 -13.912) 13.912 4.037 ( 0.000 0.000 -1.688) 1.688 4.087 ( 0.000 0.000 5.568) 5.568 4.136 ( 0.000 0.000 -12.548) 12.548 4.284 ( 0.000 0.000 6.616) 6.616 4.718 ( 0.000 0.000 0.372) 0.372 4.910 ( 0.000 0.000 -5.768) 5.768 4.973 ( 0.000 0.000 3.286) 3.286 4.980 ( 0.000 0.000 1.382) 1.382 5.104 ( 0.000 0.000 5.787) 5.787 5.215 ( 0.000 0.000 10.662) 10.662 5.223 ( 0.000 0.000 -0.460) 0.460 5.253 ( 0.000 0.000 4.477) 4.477 5.341 ( 0.000 0.000 13.171) 13.171 5.392 ( 0.000 0.000 5.059) 5.059 5.807 ( 0.000 0.000 5.073) 5.073 5.905 ( 0.000 0.000 2.900) 2.900 5.925 ( 0.000 0.000 -8.634) 8.634 5.986 ( 0.000 0.000 13.140) 13.140 5.991 ( 0.000 0.000 5.883) 5.883 6.229 ( 0.000 0.000 -6.843) 6.843 6.466 ( 0.000 0.000 -1.865) 1.865 6.494 ( 0.000 0.000 -11.682) 11.682 6.670 ( 0.000 0.000 -1.543) 1.543 7.085 ( 0.000 0.000 8.005) 8.005 7.184 ( 0.000 0.000 -3.357) 3.357 7.255 ( 0.000 0.000 -5.767) 5.767 7.355 ( 0.000 0.000 -5.877) 5.877 7.361 ( 0.000 0.000 5.167) 5.167 7.722 ( 0.000 0.000 4.961) 4.961 7.863 ( 0.000 0.000 -2.405) 2.405 7.975 ( 0.000 0.000 -4.146) 4.146 8.264 ( 0.000 0.000 -4.741) 4.741 8.448 ( 0.000 0.000 -7.081) 7.081 8.506 ( 0.000 0.000 9.267) 9.267 8.683 ( 0.000 0.000 9.559) 9.559 9.072 ( 0.000 0.000 3.559) 3.559 9.200 ( 0.000 0.000 1.237) 1.237 9.375 ( 0.000 0.000 -4.332) 4.332 9.495 ( 0.000 0.000 -6.617) 6.617 9.527 ( 0.000 0.000 6.522) 6.522 9.948 ( 0.000 0.000 -2.263) 2.263 10.263 ( 0.000 0.000 -2.424) 2.424 10.508 ( 0.000 0.000 9.493) 9.493 10.719 ( 0.000 0.000 2.550) 2.550 11.033 ( 0.000 0.000 -5.970) 5.970 11.128 ( 0.000 0.000 4.368) 4.368 11.266 ( 0.000 0.000 -11.207) 11.207 12.302 ( 0.000 0.000 9.768) 9.768 12.380 ( 0.000 0.000 15.849) 15.849 12.977 ( 0.000 0.000 -19.097) 19.097 13.042 ( 0.000 0.000 -14.132) 14.132 13.242 ( 0.000 0.000 -5.662) 5.662 13.325 ( 0.000 0.000 -0.196) 0.196 13.889 ( 0.000 0.000 4.400) 4.400 13.960 ( 0.000 0.000 10.713) 10.713 14.107 ( 0.000 0.000 -3.241) 3.241 14.243 ( 0.000 0.000 8.992) 8.992 14.436 ( 0.000 0.000 -2.455) 2.455 15.139 ( 0.000 0.000 -1.295) 1.295 15.289 ( 0.000 0.000 -8.113) 8.113 15.639 ( 0.000 0.000 -8.082) 8.082 18.346 ( 0.000 0.000 1.860) 1.860 18.518 ( 0.000 0.000 -0.994) 0.994 19.025 ( 0.000 0.000 7.344) 7.344 19.256 ( 0.000 0.000 3.194) 3.194 20.231 ( 0.000 0.000 10.405) 10.405 20.672 ( 0.000 0.000 7.590) 7.590 20.954 ( 0.000 0.000 -1.063) 1.063 21.560 ( 0.000 0.000 -6.280) 6.280 22.788 ( 0.000 0.000 -4.790) 4.790 22.816 ( 0.000 0.000 3.159) 3.159 22.978 ( 0.000 0.000 -7.959) 7.959 23.202 ( 0.000 0.000 -2.806) 2.806 26.861 ( 0.000 0.000 0.448) 0.448 27.004 ( 0.000 0.000 -1.586) 1.586 27.293 ( 0.000 0.000 -0.047) 0.047 27.315 ( 0.000 0.000 -0.656) 0.656 28.147 ( 0.000 0.000 8.506) 8.506 29.348 ( 0.000 0.000 4.567) 4.567 29.375 ( 0.000 0.000 -11.893) 11.893 29.540 ( 0.000 0.000 5.095) 5.095 29.772 ( 0.000 0.000 -0.705) 0.705 29.831 ( 0.000 0.000 -0.685) 0.685 29.929 ( 0.000 0.000 -1.674) 1.674 30.256 ( 0.000 0.000 -3.402) 3.402 30.738 ( 0.000 0.000 0.538) 0.538 30.826 ( 0.000 0.000 9.135) 9.135 30.854 ( 0.000 0.000 -1.135) 1.135 31.350 ( 0.000 0.000 -0.532) 0.532 31.366 ( 0.000 0.000 -1.382) 1.382 31.409 ( 0.000 0.000 0.888) 0.888 31.494 ( 0.000 0.000 -2.809) 2.809 31.647 ( 0.000 0.000 -2.753) 2.753 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.20 0.00 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 14.663 0.000 16.618) 22.162 0.814 ( 19.223 0.000 18.078) 26.388 1.936 ( 0.564 0.000 15.030) 15.040 2.060 ( 5.730 0.000 -3.200) 6.563 2.077 ( 40.559 0.000 36.152) 54.332 2.608 ( 10.715 0.000 4.646) 11.679 2.685 ( -10.930 0.000 -17.144) 20.332 2.988 ( 11.404 0.000 0.740) 11.428 3.042 ( 0.224 0.000 -12.104) 12.106 3.113 ( -11.903 0.000 -18.834) 22.280 3.401 ( -14.607 0.000 -6.027) 15.801 3.644 ( -11.017 0.000 2.398) 11.276 3.677 ( -3.852 0.000 -1.248) 4.049 3.880 ( 6.135 0.000 -16.167) 17.292 3.935 ( 0.100 0.000 -2.533) 2.535 4.116 ( 2.763 0.000 1.818) 3.307 4.228 ( 11.142 0.000 -0.981) 11.186 4.237 ( 5.122 0.000 -10.882) 12.028 4.579 ( 6.305 0.000 -3.858) 7.392 4.710 ( -1.549 0.000 -0.267) 1.572 4.787 ( 2.850 0.000 -0.172) 2.855 4.902 ( -5.030 0.000 4.759) 6.924 5.064 ( -6.457 0.000 2.148) 6.805 5.088 ( 0.993 0.000 -0.084) 0.997 5.152 ( 7.895 0.000 1.502) 8.036 5.242 ( 4.703 0.000 2.803) 5.475 5.373 ( 4.814 0.000 -1.318) 4.991 5.438 ( 5.835 0.000 10.992) 12.445 5.583 ( 9.397 0.000 0.059) 9.397 5.750 ( -12.074 0.000 5.632) 13.323 5.797 ( -1.208 0.000 0.938) 1.529 5.937 ( 2.728 0.000 -4.268) 5.066 5.998 ( 9.390 0.000 -0.830) 9.427 6.073 ( -2.326 0.000 5.030) 5.541 6.277 ( 3.027 0.000 -10.525) 10.951 6.332 ( -6.651 0.000 -3.450) 7.493 6.614 ( 3.185 0.000 -4.939) 5.877 6.684 ( 1.793 0.000 0.145) 1.799 6.934 ( -13.140 0.000 6.276) 14.562 7.118 ( -5.365 0.000 -6.406) 8.355 7.218 ( -3.322 0.000 -5.852) 6.729 7.366 ( -0.194 0.000 6.496) 6.499 7.396 ( -0.658 0.000 -7.235) 7.265 7.635 ( -10.148 0.000 1.833) 10.313 7.701 ( 1.803 0.000 4.085) 4.465 8.074 ( -11.874 0.000 -0.301) 11.878 8.180 ( 4.491 0.000 1.651) 4.785 8.436 ( -2.279 0.000 0.336) 2.303 8.436 ( -1.790 0.000 2.556) 3.121 8.839 ( 7.576 0.000 8.311) 11.246 8.927 ( -13.108 0.000 -3.321) 13.523 8.997 ( -8.320 0.000 0.480) 8.334 9.256 ( -6.231 0.000 -4.941) 7.952 9.480 ( -11.353 0.000 8.405) 14.126 9.756 ( 17.647 0.000 -10.722) 20.649 9.963 ( 4.959 0.000 6.126) 7.881 10.379 ( 20.519 0.000 -0.704) 20.531 10.666 ( -5.297 0.000 5.728) 7.802 10.851 ( 0.597 0.000 -11.886) 11.901 11.026 ( -7.209 0.000 6.369) 9.620 11.150 ( 8.658 0.000 3.550) 9.357 11.182 ( 19.960 0.000 4.373) 20.434 11.764 ( -20.506 0.000 6.406) 21.483 12.717 ( -9.401 0.000 6.440) 11.395 12.763 ( -10.412 0.000 -14.568) 17.906 12.824 ( -0.158 0.000 -2.848) 2.852 13.209 ( 7.567 0.000 -12.411) 14.536 13.673 ( -2.048 0.000 0.735) 2.176 13.885 ( -5.371 0.000 9.715) 11.101 13.960 ( -0.477 0.000 8.323) 8.337 14.202 ( 15.434 0.000 -22.695) 27.446 14.274 ( 4.111 0.000 6.778) 7.927 14.602 ( 13.347 0.000 -2.197) 13.527 15.146 ( -2.274 0.000 0.906) 2.448 15.258 ( -2.623 0.000 -6.221) 6.752 15.601 ( -5.766 0.000 -5.217) 7.776 18.336 ( 1.439 0.000 3.207) 3.515 18.655 ( 10.581 0.000 -1.323) 10.664 18.906 ( -10.118 0.000 7.085) 12.352 19.231 ( -2.649 0.000 3.603) 4.472 20.163 ( -4.280 0.000 8.447) 9.469 20.522 ( -12.694 0.000 8.818) 15.456 21.167 ( 17.298 0.000 -1.369) 17.352 21.604 ( 5.046 0.000 -8.985) 10.305 22.564 ( -11.979 0.000 16.864) 20.685 22.576 ( -13.243 0.000 -3.352) 13.661 23.130 ( 7.700 0.000 -7.357) 10.650 23.180 ( -0.717 0.000 -1.795) 1.933 26.868 ( 0.805 0.000 1.385) 1.602 27.051 ( -8.280 0.000 11.881) 14.482 27.053 ( 4.143 0.000 -1.420) 4.380 27.330 ( -1.781 0.000 -0.643) 1.894 28.287 ( 10.253 0.000 7.339) 12.610 29.188 ( -0.384 0.000 1.052) 1.120 29.192 ( -12.258 0.000 5.200) 13.316 29.544 ( -1.781 0.000 4.637) 4.967 29.716 ( 0.618 0.000 -5.305) 5.341 29.896 ( -2.970 0.000 -3.229) 4.387 30.276 ( 1.757 0.000 -3.354) 3.787 30.307 ( 9.816 0.000 -13.974) 17.077 30.724 ( 0.685 0.000 1.751) 1.881 30.904 ( 3.400 0.000 -1.226) 3.614 30.952 ( 6.960 0.000 -2.059) 7.258 31.290 ( -4.019 0.000 1.658) 4.347 31.341 ( -0.649 0.000 -0.055) 0.651 31.405 ( -1.821 0.000 -1.031) 2.093 31.527 ( 2.832 0.000 -3.358) 4.393 31.688 ( 1.199 0.000 -6.389) 6.501 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.40 0.00 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 20.868 0.000 11.690) 23.919 1.338 ( 29.103 0.000 -21.125) 35.962 1.712 ( -12.976 0.000 8.390) 15.452 2.043 ( -22.311 0.000 -25.511) 33.891 2.361 ( 1.151 0.000 -14.890) 14.935 2.537 ( -5.811 0.000 0.832) 5.870 2.999 ( 4.064 0.000 -11.500) 12.197 3.010 ( 17.087 0.000 15.114) 22.812 3.171 ( 3.598 0.000 -0.878) 3.704 3.217 ( 5.721 0.000 6.155) 8.403 3.309 ( 8.380 0.000 4.320) 9.428 3.521 ( -10.389 0.000 5.574) 11.790 3.599 ( 8.452 0.000 8.919) 12.287 3.855 ( -9.376 0.000 11.653) 14.957 4.019 ( 6.180 0.000 -13.516) 14.862 4.105 ( -3.740 0.000 -1.333) 3.970 4.247 ( 3.166 0.000 -2.064) 3.780 4.343 ( 0.548 0.000 5.714) 5.740 4.619 ( 0.171 0.000 2.878) 2.883 4.649 ( -3.989 0.000 0.793) 4.067 4.830 ( 0.081 0.000 0.337) 0.346 4.852 ( -0.963 0.000 0.215) 0.987 5.055 ( 6.376 0.000 -2.839) 6.980 5.182 ( 1.053 0.000 -3.722) 3.868 5.286 ( 3.409 0.000 3.236) 4.700 5.311 ( -1.961 0.000 -2.290) 3.015 5.505 ( 9.221 0.000 -0.266) 9.225 5.525 ( 7.059 0.000 -3.474) 7.868 5.644 ( 3.423 0.000 -2.789) 4.415 5.665 ( -0.785 0.000 -4.797) 4.861 5.808 ( -4.777 0.000 -10.562) 11.592 5.869 ( -15.799 0.000 -0.489) 15.806 5.948 ( 6.423 0.000 3.503) 7.316 6.135 ( -11.527 0.000 8.992) 14.619 6.310 ( 4.986 0.000 -11.553) 12.583 6.351 ( 16.872 0.000 -2.590) 17.070 6.515 ( -11.164 0.000 -6.569) 12.953 6.664 ( -11.602 0.000 -3.126) 12.015 6.795 ( 8.800 0.000 2.758) 9.222 6.988 ( -7.258 0.000 -6.067) 9.460 7.164 ( -0.468 0.000 -7.059) 7.074 7.267 ( -10.839 0.000 -3.776) 11.478 7.381 ( 0.940 0.000 4.568) 4.664 7.417 ( -2.972 0.000 9.189) 9.657 7.853 ( 8.170 0.000 6.742) 10.593 7.946 ( -2.073 0.000 10.109) 10.320 8.173 ( -0.774 0.000 8.441) 8.477 8.294 ( -10.324 0.000 5.733) 11.809 8.506 ( 7.034 0.000 -4.890) 8.567 8.702 ( -11.085 0.000 -5.613) 12.425 8.834 ( -1.036 0.000 -6.062) 6.150 8.885 ( -2.772 0.000 -2.633) 3.823 9.203 ( 1.750 0.000 8.556) 8.733 9.283 ( -5.620 0.000 11.840) 13.106 10.110 ( 13.403 0.000 -8.661) 15.958 10.184 ( 8.051 0.000 5.063) 9.511 10.597 ( 0.117 0.000 5.416) 5.417 10.650 ( 1.904 0.000 -1.928) 2.710 10.750 ( 0.085 0.000 -8.896) 8.896 10.933 ( -7.865 0.000 -3.255) 8.512 11.301 ( 7.259 0.000 0.782) 7.301 11.430 ( -9.000 0.000 2.110) 9.244 11.792 ( 28.928 0.000 -1.893) 28.990 12.337 ( -21.952 0.000 -2.843) 22.135 12.646 ( 1.123 0.000 -6.808) 6.900 12.781 ( -7.862 0.000 -1.855) 8.078 13.357 ( 6.898 0.000 -5.430) 8.778 13.516 ( -8.435 0.000 1.182) 8.517 13.858 ( 2.245 0.000 9.752) 10.007 13.923 ( -2.908 0.000 8.243) 8.741 14.401 ( 6.173 0.000 -2.503) 6.661 14.436 ( 4.731 0.000 -16.689) 17.347 14.907 ( 12.744 0.000 -4.399) 13.482 15.059 ( -4.514 0.000 1.205) 4.672 15.217 ( 1.030 0.000 0.669) 1.228 15.392 ( -12.402 0.000 0.727) 12.423 18.437 ( 8.019 0.000 5.497) 9.722 18.657 ( -12.082 0.000 6.870) 13.899 18.905 ( 12.028 0.000 -0.629) 12.044 19.123 ( -7.891 0.000 1.831) 8.101 20.124 ( 1.744 0.000 8.133) 8.318 20.255 ( -10.424 0.000 9.267) 13.947 21.561 ( 16.893 0.000 -6.983) 18.280 21.720 ( 2.755 0.000 -14.210) 14.474 22.325 ( -8.549 0.000 3.341) 9.178 22.333 ( -9.291 0.000 13.356) 16.269 23.209 ( 2.682 0.000 -2.447) 3.631 23.231 ( 1.610 0.000 -5.556) 5.784 26.897 ( 1.920 0.000 3.867) 4.318 26.948 ( -2.994 0.000 7.598) 8.167 27.159 ( 5.395 0.000 -0.934) 5.476 27.264 ( -4.279 0.000 -0.485) 4.306 28.557 ( 14.874 0.000 6.880) 16.389 28.888 ( -15.681 0.000 5.977) 16.782 29.285 ( 7.415 0.000 1.168) 7.506 29.446 ( -6.879 0.000 3.469) 7.705 29.748 ( 2.450 0.000 -5.939) 6.424 29.818 ( -3.909 0.000 -5.476) 6.729 30.323 ( 2.457 0.000 -3.131) 3.979 30.365 ( -0.976 0.000 -4.904) 5.000 30.785 ( 4.672 0.000 1.633) 4.949 30.888 ( -4.034 0.000 -0.740) 4.101 31.103 ( 6.708 0.000 -2.981) 7.340 31.216 ( -3.783 0.000 -2.157) 4.355 31.331 ( -0.043 0.000 1.036) 1.037 31.353 ( -2.257 0.000 1.258) 2.584 31.600 ( 3.698 0.000 -4.475) 5.805 31.669 ( -2.514 0.000 -5.756) 6.281 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.11 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 23.147 23.559) 33.027 1.075 ( 0.000 11.763 37.684) 39.478 1.389 ( 0.000 25.956 36.433) 44.733 2.114 ( 0.000 11.982 -0.888) 12.015 2.206 ( 0.000 15.486 7.779) 17.330 2.576 ( 0.000 8.149 0.955) 8.205 2.807 ( 0.000 6.846 -3.272) 7.588 2.980 ( 0.000 0.857 -13.818) 13.845 3.022 ( 0.000 7.874 1.383) 7.994 3.518 ( 0.000 -5.838 -16.816) 17.800 3.553 ( 0.000 -1.422 -21.816) 21.862 3.654 ( 0.000 -3.051 -2.684) 4.064 3.738 ( 0.000 -0.397 -7.294) 7.304 3.818 ( 0.000 3.312 -7.417) 8.122 3.899 ( 0.000 1.364 -7.155) 7.284 4.006 ( 0.000 -2.445 3.164) 3.999 4.118 ( 0.000 4.031 -0.524) 4.065 4.155 ( 0.000 1.944 -11.687) 11.847 4.339 ( 0.000 4.414 3.394) 5.568 4.711 ( 0.000 -2.008 1.509) 2.512 4.890 ( 0.000 -3.633 -0.762) 3.712 4.958 ( 0.000 0.466 1.373) 1.449 4.963 ( 0.000 1.274 -0.376) 1.329 5.131 ( 0.000 -6.528 3.657) 7.482 5.196 ( 0.000 0.199 4.492) 4.496 5.257 ( 0.000 1.313 13.051) 13.117 5.326 ( 0.000 4.493 8.012) 9.186 5.351 ( 0.000 -0.844 6.192) 6.249 5.428 ( 0.000 6.697 3.427) 7.523 5.774 ( 0.000 -2.708 4.608) 5.345 5.857 ( 0.000 -4.850 -5.514) 7.344 5.924 ( 0.000 2.404 1.394) 2.779 6.020 ( 0.000 0.890 2.419) 2.578 6.170 ( 0.000 6.196 -5.456) 8.256 6.221 ( 0.000 -0.949 -5.707) 5.785 6.423 ( 0.000 -3.423 -0.583) 3.472 6.649 ( 0.000 9.220 -21.098) 23.025 6.680 ( 0.000 -0.092 -4.289) 4.290 6.979 ( 0.000 -7.612 5.337) 9.296 7.188 ( 0.000 -0.719 -10.256) 10.281 7.293 ( 0.000 1.089 -2.569) 2.790 7.349 ( 0.000 -0.361 5.358) 5.370 7.412 ( 0.000 5.078 -8.253) 9.690 7.722 ( 0.000 0.508 3.855) 3.888 7.856 ( 0.000 -0.574 -5.186) 5.217 7.991 ( 0.000 1.098 -5.207) 5.322 8.250 ( 0.000 -1.399 -2.661) 3.006 8.380 ( 0.000 -6.356 -2.041) 6.676 8.480 ( 0.000 -1.956 8.931) 9.142 8.694 ( 0.000 0.155 3.367) 3.370 9.055 ( 0.000 -1.556 2.925) 3.313 9.185 ( 0.000 -0.777 -0.021) 0.778 9.362 ( 0.000 -1.507 -3.991) 4.266 9.517 ( 0.000 -1.006 6.166) 6.247 9.531 ( 0.000 3.025 -6.556) 7.220 9.975 ( 0.000 1.988 -2.894) 3.511 10.260 ( 0.000 -0.257 -2.274) 2.289 10.516 ( 0.000 0.610 9.031) 9.051 10.722 ( 0.000 0.238 2.615) 2.626 11.030 ( 0.000 -0.694 -5.693) 5.735 11.136 ( 0.000 0.774 4.350) 4.418 11.177 ( 0.000 -7.618 2.417) 7.992 12.225 ( 0.000 -11.509 20.439) 23.457 12.311 ( 0.000 0.905 9.755) 9.797 12.960 ( 0.000 -1.825 -16.608) 16.708 13.052 ( 0.000 0.935 -14.027) 14.058 13.087 ( 0.000 -8.613 4.531) 9.732 13.322 ( 0.000 -0.279 -0.642) 0.700 13.847 ( 0.000 -2.016 8.165) 8.410 13.974 ( 0.000 0.900 10.239) 10.279 14.081 ( 0.000 -2.375 -3.198) 3.984 14.238 ( 0.000 -0.745 8.742) 8.774 14.421 ( 0.000 -1.429 -2.241) 2.658 14.771 ( 0.000 -17.274 14.383) 22.478 15.290 ( 0.000 0.131 -8.306) 8.307 15.641 ( 0.000 0.233 -8.770) 8.773 18.334 ( 0.000 -1.122 2.030) 2.319 18.514 ( 0.000 0.379 -1.166) 1.226 19.012 ( 0.000 -1.229 7.651) 7.749 19.246 ( 0.000 -1.460 3.101) 3.427 20.218 ( 0.000 -1.220 10.019) 10.093 20.662 ( 0.000 -0.901 7.678) 7.730 21.027 ( 0.000 3.461 -7.636) 8.384 21.556 ( 0.000 -0.383 -5.651) 5.664 22.587 ( 0.000 -12.778 15.406) 20.016 22.787 ( 0.000 -0.035 -4.688) 4.688 22.993 ( 0.000 0.126 -7.422) 7.423 23.187 ( 0.000 -1.511 -2.900) 3.270 26.860 ( 0.000 -0.055 0.491) 0.494 27.007 ( 0.000 0.234 -1.604) 1.621 27.293 ( 0.000 -0.007 -0.044) 0.045 27.297 ( 0.000 -2.292 1.658) 2.829 27.919 ( 0.000 -38.439 45.351) 59.450 28.307 ( 0.000 -18.472 27.952) 33.504 29.302 ( 0.000 -4.029 -2.690) 4.844 29.374 ( 0.000 -0.905 -3.480) 3.596 29.530 ( 0.000 -1.438 5.787) 5.963 29.749 ( 0.000 -1.360 -3.954) 4.182 29.952 ( 0.000 -0.461 -2.748) 2.786 30.263 ( 0.000 0.381 -4.385) 4.402 30.787 ( 0.000 4.417 2.553) 5.102 30.875 ( 0.000 4.270 8.401) 9.424 31.096 ( 0.000 -4.407 -0.737) 4.468 31.276 ( 0.000 -3.228 -0.571) 3.278 31.456 ( 0.000 3.881 -5.165) 6.460 31.490 ( 0.000 4.495 2.535) 5.161 31.517 ( 0.000 8.376 -4.586) 9.550 32.633 ( 0.000 34.989 -41.516) 54.294 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.20 0.11 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 12.778 15.873 10.963) 23.139 1.256 ( 12.273 32.165 12.923) 36.773 2.035 ( 33.557 3.946 26.499) 42.940 2.160 ( -4.037 16.015 6.603) 17.787 2.217 ( 12.344 12.358 6.994) 18.815 2.642 ( -2.497 2.219 -3.773) 5.039 2.729 ( -5.450 2.920 -13.438) 14.792 2.999 ( 4.507 2.470 -4.830) 7.053 3.090 ( -0.637 4.594 -8.841) 9.984 3.211 ( 2.375 8.008 -7.410) 11.166 3.396 ( -12.065 0.074 -4.768) 12.973 3.633 ( -8.677 -0.226 0.870) 8.724 3.732 ( -2.027 4.993 -2.754) 6.052 3.874 ( 5.926 -0.061 -10.899) 12.407 3.964 ( -0.356 2.327 -2.003) 3.091 4.119 ( 3.993 0.285 -2.930) 4.960 4.192 ( 8.841 -1.879 1.663) 9.191 4.221 ( 6.454 -0.885 -10.073) 11.996 4.523 ( 7.629 -2.543 1.971) 8.279 4.696 ( -2.389 -2.130 0.570) 3.251 4.806 ( -0.618 2.002 0.252) 2.110 4.880 ( -3.737 -2.029 2.227) 4.801 5.001 ( -4.579 -5.393 3.688) 7.978 5.127 ( 4.537 0.396 1.605) 4.829 5.150 ( -0.715 0.907 0.865) 1.443 5.292 ( 1.782 0.516 7.264) 7.497 5.364 ( 4.787 1.952 0.570) 5.201 5.464 ( 4.588 1.894 4.347) 6.598 5.571 ( 10.967 -0.162 1.278) 11.042 5.719 ( -6.807 -2.685 1.192) 7.414 5.797 ( -2.103 -1.549 -0.811) 2.735 5.913 ( 1.786 0.356 2.154) 2.821 5.983 ( 0.169 0.004 -2.219) 2.225 6.185 ( -1.003 2.539 -0.754) 2.832 6.266 ( 1.735 -0.432 -10.251) 10.406 6.418 ( -5.905 5.037 -6.569) 10.168 6.569 ( -1.962 -2.606 -2.138) 3.901 6.694 ( 1.778 0.568 -4.292) 4.680 6.909 ( -7.082 -2.107 2.330) 7.748 7.094 ( -7.027 -2.028 -7.141) 10.222 7.234 ( -4.727 1.186 -3.739) 6.143 7.344 ( 1.041 -1.557 5.811) 6.106 7.407 ( -4.492 0.385 -4.985) 6.722 7.643 ( -6.820 0.794 2.210) 7.213 7.732 ( -1.640 2.177 2.606) 3.771 8.015 ( -6.192 -3.047 -0.535) 6.922 8.242 ( -0.449 2.655 -2.556) 3.713 8.363 ( -1.153 -4.682 2.076) 5.250 8.433 ( -2.476 -1.854 2.794) 4.168 8.782 ( 4.583 -5.103 5.516) 8.802 8.908 ( -9.763 -1.998 -0.624) 9.985 8.962 ( -9.710 -2.780 -0.069) 10.101 9.270 ( -6.707 0.756 -3.926) 7.809 9.479 ( -10.341 -0.206 8.109) 13.143 9.756 ( 15.917 0.178 -9.857) 18.723 9.984 ( 5.124 1.795 5.254) 7.555 10.386 ( 19.390 0.424 -0.919) 19.417 10.672 ( -4.815 0.509 6.186) 7.855 10.844 ( 1.328 -0.614 -11.749) 11.840 10.981 ( -2.979 -3.230 4.927) 6.602 11.174 ( 13.079 1.310 5.555) 14.270 11.189 ( 12.708 0.793 4.445) 13.486 11.766 ( -18.913 0.283 5.268) 19.635 12.684 ( -6.265 -3.215 6.547) 9.615 12.767 ( -8.359 0.098 -12.199) 14.788 12.801 ( -1.707 -1.622 -4.246) 4.855 13.214 ( 7.705 0.471 -12.309) 14.529 13.635 ( 1.931 -4.268 2.865) 5.492 13.855 ( -3.616 -2.312 10.636) 11.470 13.957 ( -0.755 -0.419 6.484) 6.541 14.110 ( 12.428 -6.644 -13.273) 19.359 14.261 ( 3.867 -2.121 6.086) 7.516 14.593 ( 13.697 -0.931 -2.363) 13.930 14.927 ( 8.196 -13.880 8.711) 18.322 15.255 ( -3.027 -0.264 -6.423) 7.105 15.578 ( -6.327 -0.749 -6.495) 9.098 18.314 ( 0.552 -1.419 3.529) 3.843 18.635 ( 9.609 -1.271 -0.977) 9.742 18.892 ( -10.185 -1.408 7.014) 12.447 19.220 ( -2.453 -1.216 3.834) 4.712 20.161 ( -4.137 -0.482 7.704) 8.758 20.507 ( -12.466 -1.290 8.824) 15.327 21.198 ( 14.621 1.595 -4.369) 15.343 21.601 ( 4.627 -0.291 -8.672) 9.833 22.499 ( -6.377 -4.010 12.905) 14.943 22.587 ( -12.670 0.109 -0.333) 12.675 23.129 ( 6.357 -0.346 -7.045) 9.496 23.169 ( 0.447 -0.947 -2.182) 2.420 26.867 ( 0.793 -0.049 1.396) 1.606 27.038 ( -6.376 -1.012 10.742) 12.532 27.056 ( 2.966 0.143 -0.204) 2.976 27.330 ( -1.788 -0.008 -0.706) 1.923 28.287 ( 12.509 -0.891 7.143) 14.432 28.665 ( 27.635 -42.801 19.545) 54.567 29.195 ( -11.138 -0.601 5.194) 12.304 29.489 ( 1.060 -7.689 -0.296) 7.767 29.526 ( 9.025 -8.566 -4.168) 13.122 29.789 ( 4.609 -3.402 -3.269) 6.596 29.915 ( -2.804 -1.174 -3.144) 4.374 30.296 ( 2.153 -0.840 -4.924) 5.439 30.798 ( -3.126 2.619 5.604) 6.931 30.851 ( 1.703 3.049 4.404) 5.621 31.049 ( -3.163 -4.742 0.497) 5.722 31.284 ( 0.027 -1.712 -2.130) 2.732 31.407 ( -4.365 3.863 1.522) 6.024 31.464 ( 0.077 3.721 -1.536) 4.026 31.598 ( 5.206 11.265 -6.142) 13.846 32.380 ( -17.393 33.587 -23.508) 44.533 ======================= Grid point 52 (21/60) ======================= q-point: ( 0.40 0.11 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 26.707 6.480 -20.016) 33.999 1.573 ( 15.188 26.035 6.716) 30.880 1.959 ( -13.126 21.399 6.360) 25.897 2.027 ( -23.810 0.530 -24.054) 33.850 2.406 ( 7.017 5.072 -4.963) 9.980 2.646 ( -5.185 7.678 -0.300) 9.269 2.882 ( 9.901 -6.408 6.061) 13.260 3.009 ( 1.220 0.236 -4.637) 4.801 3.201 ( 8.274 3.922 3.232) 9.710 3.304 ( 3.000 3.438 4.815) 6.634 3.413 ( 5.524 9.934 5.162) 12.484 3.554 ( 0.035 3.278 4.985) 5.966 3.690 ( 4.384 8.526 5.337) 10.973 3.910 ( -6.085 4.467 7.547) 10.674 4.017 ( 6.541 0.024 -10.812) 12.637 4.124 ( -3.280 2.105 -2.088) 4.421 4.238 ( 0.048 -0.389 -2.465) 2.496 4.343 ( 3.963 0.186 5.109) 6.469 4.562 ( -0.328 -4.618 5.799) 7.421 4.609 ( -4.828 -3.176 0.141) 5.781 4.790 ( 0.583 -2.465 0.373) 2.560 4.876 ( -4.042 -0.215 2.108) 4.564 5.028 ( 10.448 -1.523 -4.070) 11.316 5.173 ( 1.772 -1.745 0.046) 2.487 5.258 ( 1.424 -2.120 2.721) 3.732 5.301 ( -2.833 -1.469 -4.519) 5.532 5.465 ( 8.987 -3.178 -3.142) 10.036 5.519 ( 1.747 -1.551 -0.034) 2.336 5.632 ( -1.152 0.505 -3.176) 3.416 5.710 ( 3.921 2.690 -6.817) 8.312 5.799 ( -4.589 0.277 -5.080) 6.852 5.938 ( 3.362 0.063 1.971) 3.897 5.957 ( -9.974 5.397 -4.149) 12.075 6.090 ( -4.219 -3.363 4.682) 7.144 6.310 ( 4.057 -0.338 -10.762) 11.507 6.362 ( 7.593 0.823 -1.599) 7.803 6.507 ( -7.269 -1.526 -5.655) 9.335 6.673 ( -9.882 0.623 -2.755) 10.278 6.779 ( 4.888 -1.086 2.101) 5.430 6.965 ( -6.540 -2.584 -6.366) 9.486 7.155 ( -1.860 -0.311 -4.577) 4.951 7.216 ( -8.351 -4.127 -0.041) 9.315 7.363 ( 0.409 0.637 4.093) 4.162 7.499 ( -2.937 4.456 6.765) 8.616 7.830 ( 5.359 -2.305 8.035) 9.930 7.925 ( 0.289 -1.428 6.345) 6.510 8.189 ( -3.437 1.027 7.097) 7.952 8.290 ( -6.961 -0.644 5.027) 8.610 8.453 ( 5.315 -4.557 -4.462) 8.302 8.652 ( -10.799 -4.860 -3.054) 12.230 8.801 ( -1.250 -2.194 -6.938) 7.384 8.896 ( 0.182 -0.478 -0.810) 0.958 9.175 ( -1.226 -1.571 6.218) 6.529 9.301 ( -4.444 0.478 11.041) 11.911 10.087 ( 13.105 -1.985 -8.226) 15.600 10.184 ( 6.197 -0.094 4.261) 7.521 10.610 ( 1.325 0.919 4.804) 5.068 10.654 ( 2.929 0.308 -1.337) 3.234 10.753 ( -0.970 0.537 -8.272) 8.346 10.922 ( -7.605 -1.057 -3.082) 8.273 11.310 ( 6.615 1.013 1.020) 6.769 11.451 ( -7.687 1.885 1.868) 8.132 11.785 ( 28.249 -0.707 -1.402) 28.293 12.323 ( -21.783 -1.251 -2.546) 21.967 12.644 ( 0.696 -0.220 -7.205) 7.242 12.776 ( -7.265 -0.456 -2.177) 7.597 13.365 ( 6.977 0.795 -5.544) 8.947 13.518 ( -7.582 0.133 1.763) 7.785 13.839 ( 2.429 -1.858 10.200) 10.648 13.915 ( -3.115 -0.698 8.346) 8.936 14.337 ( 6.174 -5.969 -6.574) 10.815 14.382 ( 4.374 -5.611 -6.527) 9.655 14.892 ( 10.845 -1.104 -4.382) 11.749 15.025 ( 2.876 -2.636 1.092) 4.051 15.196 ( -0.532 -1.842 0.288) 1.939 15.374 ( -11.850 -1.032 -1.604) 12.003 18.402 ( 7.800 -2.703 5.812) 10.095 18.623 ( -12.052 -2.949 7.089) 14.290 18.891 ( 11.543 -1.186 -0.859) 11.636 19.117 ( -7.645 -0.752 1.773) 7.884 20.118 ( 1.436 -0.684 7.923) 8.081 20.245 ( -10.253 -0.967 9.187) 13.801 21.547 ( 15.005 -1.329 -8.196) 17.149 21.705 ( 2.601 -1.395 -14.143) 14.448 22.321 ( -7.481 0.154 6.199) 9.717 22.352 ( -8.574 1.163 10.723) 13.779 23.196 ( 2.943 -1.160 -3.373) 4.624 23.235 ( 1.464 0.030 -4.741) 4.962 26.896 ( 1.813 -0.137 3.802) 4.215 26.945 ( -2.779 -0.207 7.399) 7.906 27.159 ( 5.338 0.004 -0.976) 5.427 27.264 ( -4.281 -0.044 -0.539) 4.315 28.569 ( 14.866 1.145 6.818) 16.396 28.893 ( -14.407 0.168 5.836) 15.545 29.104 ( 13.561 -17.531 4.253) 22.568 29.356 ( -9.315 -8.859 4.453) 13.604 29.688 ( 1.977 -3.949 -9.085) 10.101 29.849 ( -1.544 0.577 -3.790) 4.133 30.043 ( 14.787 -16.956 -5.019) 23.051 30.280 ( -5.638 -6.836 -6.475) 10.975 30.734 ( -0.446 0.390 6.596) 6.623 30.843 ( -3.433 -3.666 5.421) 7.390 31.069 ( 5.593 -0.608 -0.202) 5.630 31.217 ( -6.179 -0.117 -1.285) 6.313 31.363 ( 0.099 2.090 -0.790) 2.236 31.457 ( -0.515 4.856 2.453) 5.465 31.722 ( 5.410 17.129 -11.617) 21.392 32.076 ( -9.541 23.308 -7.301) 26.222 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.22 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.000 19.285 21.918) 29.195 1.385 ( 0.000 18.298 23.529) 29.807 2.005 ( 0.000 29.426 10.872) 31.370 2.394 ( 0.000 13.771 -3.080) 14.111 2.528 ( 0.000 13.352 1.112) 13.398 2.756 ( 0.000 7.466 -5.082) 9.032 2.955 ( 0.000 6.783 0.150) 6.784 3.031 ( 0.000 5.920 -10.613) 12.152 3.208 ( 0.000 13.937 4.271) 14.576 3.435 ( 0.000 -2.031 -16.380) 16.505 3.495 ( 0.000 -5.938 -8.568) 10.425 3.612 ( 0.000 0.736 -9.807) 9.834 3.780 ( 0.000 3.223 -9.638) 10.162 3.904 ( 0.000 5.974 -2.945) 6.660 3.937 ( 0.000 3.186 0.573) 3.238 3.974 ( 0.000 -0.137 4.980) 4.982 4.212 ( 0.000 3.924 1.046) 4.061 4.216 ( 0.000 4.216 -9.914) 10.774 4.448 ( 0.000 6.442 -3.159) 7.175 4.653 ( 0.000 -3.450 4.922) 6.011 4.783 ( 0.000 -5.560 2.387) 6.051 4.907 ( 0.000 -6.757 0.946) 6.823 5.007 ( 0.000 3.692 2.157) 4.276 5.067 ( 0.000 -1.138 1.006) 1.518 5.202 ( 0.000 -0.538 0.701) 0.884 5.247 ( 0.000 0.012 10.214) 10.214 5.330 ( 0.000 -0.712 7.316) 7.350 5.404 ( 0.000 3.070 8.552) 9.086 5.540 ( 0.000 4.097 4.755) 6.276 5.698 ( 0.000 -4.522 5.101) 6.817 5.762 ( 0.000 -4.217 -6.023) 7.353 5.989 ( 0.000 2.750 -4.550) 5.317 6.008 ( 0.000 -1.857 0.282) 1.878 6.176 ( 0.000 -3.810 -3.322) 5.055 6.215 ( 0.000 0.721 -2.708) 2.803 6.359 ( 0.000 -3.058 1.752) 3.524 6.629 ( 0.000 -4.559 -3.701) 5.872 6.707 ( 0.000 -1.428 -11.672) 11.759 6.854 ( 0.000 -4.572 -0.374) 4.587 7.125 ( 0.000 -5.526 -11.374) 12.645 7.266 ( 0.000 -2.520 2.518) 3.563 7.371 ( 0.000 1.853 3.006) 3.531 7.471 ( 0.000 0.443 -7.816) 7.829 7.726 ( 0.000 -1.796 1.407) 2.282 7.856 ( 0.000 1.121 -8.299) 8.374 7.995 ( 0.000 -0.965 -5.892) 5.971 8.199 ( 0.000 -3.687 2.184) 4.286 8.225 ( 0.000 -8.288 2.952) 8.798 8.472 ( 0.000 1.731 5.763) 6.017 8.659 ( 0.000 -3.578 -0.147) 3.581 9.014 ( 0.000 -2.464 2.473) 3.491 9.182 ( 0.000 0.266 -1.548) 1.571 9.318 ( 0.000 -2.544 -2.977) 3.916 9.488 ( 0.000 -1.992 4.156) 4.609 9.597 ( 0.000 3.349 -7.755) 8.447 10.000 ( 0.000 0.216 -3.765) 3.771 10.253 ( 0.000 -0.436 -1.864) 1.915 10.525 ( 0.000 0.199 8.125) 8.127 10.720 ( 0.000 -0.619 3.130) 3.190 10.955 ( 0.000 -6.105 7.966) 10.037 11.088 ( 0.000 -0.485 1.962) 2.021 11.157 ( 0.000 1.217 4.181) 4.355 12.068 ( 0.000 -3.921 10.738) 11.432 12.336 ( 0.000 1.515 9.526) 9.646 12.916 ( 0.000 -1.842 -5.341) 5.650 12.995 ( 0.000 -2.239 -5.167) 5.631 13.077 ( 0.000 1.563 -13.804) 13.893 13.314 ( 0.000 -0.419 -1.734) 1.784 13.830 ( 0.000 0.043 8.577) 8.577 13.991 ( 0.000 0.754 9.272) 9.303 14.025 ( 0.000 -2.927 -2.865) 4.096 14.213 ( 0.000 -1.556 9.269) 9.398 14.380 ( 0.000 -2.568 -1.915) 3.203 14.587 ( 0.000 -4.012 5.414) 6.739 15.293 ( 0.000 0.143 -8.633) 8.634 15.646 ( 0.000 0.213 -10.277) 10.280 18.307 ( 0.000 -1.423 2.573) 2.940 18.536 ( 0.000 1.617 -1.747) 2.381 18.981 ( 0.000 -1.654 8.326) 8.488 19.200 ( 0.000 -2.889 3.837) 4.803 20.188 ( 0.000 -1.620 9.111) 9.254 20.640 ( 0.000 -1.238 7.901) 7.997 21.042 ( 0.000 -1.428 -7.221) 7.361 21.547 ( 0.000 -0.522 -5.092) 5.118 22.425 ( 0.000 -4.476 12.939) 13.692 22.786 ( 0.000 -0.098 -4.379) 4.380 22.988 ( 0.000 -0.447 -6.953) 6.967 23.146 ( 0.000 -2.409 -3.145) 3.962 26.859 ( 0.000 -0.087 0.575) 0.582 27.012 ( 0.000 0.253 -1.662) 1.681 27.196 ( 0.000 -6.901 17.372) 18.693 27.293 ( 0.000 -0.028 -0.035) 0.044 27.470 ( 0.000 -7.166 20.416) 21.637 28.248 ( 0.000 1.007 10.940) 10.987 29.195 ( 0.000 -6.303 -6.597) 9.124 29.339 ( 0.000 -2.182 2.090) 3.022 29.479 ( 0.000 -3.623 6.407) 7.361 29.747 ( 0.000 1.204 -9.248) 9.326 29.957 ( 0.000 1.051 -3.582) 3.733 30.258 ( 0.000 -1.113 -5.704) 5.812 30.881 ( 0.000 3.873 2.784) 4.770 30.962 ( 0.000 4.270 6.024) 7.383 30.972 ( 0.000 -6.679 -0.622) 6.708 31.278 ( 0.000 3.825 3.863) 5.436 31.527 ( 0.000 3.367 -2.662) 4.292 31.562 ( 0.000 2.610 4.809) 5.472 31.730 ( 0.000 11.927 -4.785) 12.851 32.960 ( 0.000 5.165 -23.864) 24.417 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.20 0.22 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 6.133 20.939 8.837) 23.541 1.791 ( 18.961 16.018 12.739) 27.899 2.239 ( 17.233 18.941 12.534) 28.510 2.400 ( -5.221 6.459 -6.498) 10.545 2.599 ( 4.923 16.164 0.026) 16.897 2.674 ( -6.530 6.610 -5.787) 10.946 2.819 ( -2.006 7.928 -4.515) 9.342 3.108 ( 3.701 8.180 -2.213) 9.247 3.220 ( -0.694 7.700 -3.974) 8.693 3.366 ( 5.378 7.971 -0.039) 9.616 3.424 ( -3.260 2.119 -2.556) 4.653 3.650 ( -5.653 1.971 -2.596) 6.526 3.833 ( 4.596 2.408 -8.762) 10.182 3.886 ( 3.589 3.204 -0.562) 4.844 4.032 ( 0.316 4.885 0.924) 4.981 4.127 ( 8.758 -0.156 -0.306) 8.764 4.187 ( 4.299 2.255 -4.247) 6.450 4.252 ( 4.095 4.002 -6.535) 8.689 4.489 ( 1.096 -1.370 1.906) 2.590 4.638 ( -1.620 -3.130 4.224) 5.501 4.765 ( -2.349 -4.461 2.069) 5.450 4.882 ( -2.859 -5.618 4.325) 7.645 4.929 ( -2.459 5.217 -3.539) 6.766 5.097 ( 4.884 -1.858 -0.593) 5.259 5.185 ( -3.840 0.858 3.902) 5.542 5.259 ( 0.056 -1.994 10.028) 10.225 5.409 ( 5.898 1.371 1.061) 6.148 5.487 ( -0.728 -0.115 1.003) 1.244 5.569 ( 6.800 -0.643 -0.006) 6.831 5.679 ( 1.138 -1.501 2.435) 3.078 5.737 ( 0.257 -3.627 -1.074) 3.792 5.919 ( -4.566 -0.848 -4.074) 6.178 5.979 ( 0.093 -0.184 0.442) 0.487 6.182 ( -1.531 -1.905 -1.343) 2.789 6.266 ( 3.948 0.603 -6.944) 8.010 6.410 ( 1.259 -3.263 -0.852) 3.600 6.509 ( -8.999 -4.241 -3.992) 10.719 6.717 ( 0.119 0.650 -7.501) 7.530 6.863 ( 0.273 -2.337 -3.800) 4.469 7.038 ( -8.157 -3.601 -4.647) 10.055 7.253 ( -5.692 0.488 -1.393) 5.880 7.311 ( 1.852 -1.763 5.629) 6.182 7.406 ( -7.801 -0.270 -3.561) 8.579 7.671 ( -6.001 1.952 2.075) 6.643 7.748 ( -2.952 -0.700 2.356) 3.841 7.976 ( -6.213 -1.726 -2.328) 6.856 8.210 ( 2.478 -4.705 -5.253) 7.475 8.275 ( 1.996 -4.714 2.305) 5.614 8.416 ( -6.676 0.980 3.160) 7.451 8.667 ( 1.228 -5.787 3.186) 6.719 8.842 ( -8.610 -4.637 2.952) 10.215 8.901 ( -11.409 -3.326 0.471) 11.893 9.274 ( -6.505 -0.259 -4.180) 7.737 9.470 ( -9.573 -0.701 7.757) 12.341 9.768 ( 12.496 0.927 -9.583) 15.774 10.021 ( 5.298 1.770 3.737) 6.721 10.381 ( 17.517 -1.180 -1.120) 17.593 10.679 ( -3.282 -0.012 7.253) 7.961 10.830 ( 3.774 -0.709 -11.380) 12.011 10.926 ( 0.411 -2.167 3.224) 3.907 11.188 ( 20.073 0.132 5.828) 20.903 11.210 ( 3.847 1.222 5.613) 6.914 11.778 ( -16.304 0.899 3.338) 16.666 12.607 ( 0.739 -3.712 7.963) 8.817 12.762 ( -3.338 -0.397 -8.113) 8.781 12.783 ( -9.432 -0.318 -8.400) 12.634 13.227 ( 7.961 0.877 -12.185) 14.582 13.522 ( 7.232 -5.628 8.228) 12.316 13.827 ( -3.915 -0.453 6.884) 7.932 13.930 ( 0.280 -2.313 -0.574) 2.399 14.023 ( 3.477 -1.624 2.193) 4.420 14.193 ( 0.988 -4.251 8.716) 9.747 14.571 ( 14.776 -0.997 -2.626) 15.041 14.756 ( 11.303 -4.344 3.834) 12.702 15.250 ( -3.827 -0.191 -7.025) 8.002 15.575 ( -6.847 0.080 -8.798) 11.149 18.294 ( 0.012 -0.622 3.456) 3.511 18.620 ( 7.095 -0.164 -0.815) 7.144 18.855 ( -10.180 -2.207 7.144) 12.631 19.186 ( -1.786 -2.061 4.153) 4.969 20.140 ( -3.712 -1.496 7.163) 8.205 20.479 ( -12.476 -1.334 8.752) 15.298 21.199 ( 13.365 -1.350 -5.837) 14.647 21.593 ( 3.940 -0.463 -8.330) 9.226 22.438 ( -0.982 -2.020 10.744) 10.977 22.585 ( -12.358 -0.244 -0.856) 12.390 23.109 ( 2.385 -1.616 -4.742) 5.548 23.148 ( 4.482 -1.061 -4.367) 6.347 26.866 ( 0.778 -0.070 1.409) 1.611 27.015 ( -5.356 -1.196 11.402) 12.654 27.058 ( 3.618 0.081 -1.155) 3.798 27.330 ( -1.800 -0.019 -0.873) 2.000 27.980 ( 35.424 -19.344 15.675) 43.299 28.349 ( 9.231 0.915 9.538) 13.305 29.172 ( -7.757 -1.798 3.269) 8.608 29.340 ( 3.486 -6.539 -4.031) 8.435 29.409 ( -3.795 -5.680 3.646) 7.743 29.781 ( 2.525 1.086 -8.669) 9.095 29.906 ( -4.130 -0.057 -4.204) 5.894 30.265 ( -0.685 -2.270 -6.819) 7.219 30.805 ( -6.147 -2.070 3.772) 7.503 30.930 ( -1.009 4.479 7.025) 8.392 31.002 ( 1.210 0.259 0.277) 1.268 31.280 ( -0.166 1.982 -1.127) 2.286 31.482 ( -4.710 3.460 5.277) 7.874 31.543 ( 0.711 4.125 0.125) 4.188 31.841 ( 8.506 12.193 -5.460) 15.838 32.773 ( -15.201 9.401 -18.349) 25.615 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.40 0.22 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 16.390 10.633 -12.903) 23.414 1.997 ( -22.218 0.900 -24.014) 32.728 2.138 ( 11.666 23.785 1.836) 26.556 2.461 ( 4.663 12.198 5.354) 14.114 2.583 ( -3.324 22.601 6.963) 23.882 2.738 ( -1.494 2.021 0.366) 2.540 2.852 ( 3.308 4.963 2.283) 6.387 3.091 ( -4.602 8.074 -0.915) 9.339 3.287 ( 4.575 4.654 2.724) 7.072 3.409 ( 6.910 7.360 9.112) 13.600 3.572 ( -3.163 5.683 3.737) 7.502 3.658 ( 12.367 5.988 0.812) 13.764 3.880 ( 4.520 8.152 -0.040) 9.322 3.947 ( 0.091 0.075 -4.167) 4.168 4.056 ( 2.907 2.321 -0.352) 3.736 4.184 ( -7.130 4.025 3.508) 8.907 4.265 ( 2.942 3.099 -4.752) 6.391 4.364 ( 4.282 2.032 1.743) 5.050 4.472 ( -0.296 -3.164 6.848) 7.549 4.573 ( -2.821 0.435 0.812) 2.967 4.742 ( 1.469 -2.265 1.601) 3.139 4.830 ( -3.776 -3.670 4.168) 6.716 5.011 ( 9.417 -0.043 -5.392) 10.851 5.121 ( 1.007 -3.000 2.265) 3.891 5.211 ( 0.125 -2.610 -0.009) 2.613 5.249 ( -3.101 -3.617 -3.099) 5.683 5.392 ( 2.287 -3.694 -4.566) 6.303 5.466 ( -1.994 -3.695 0.589) 4.240 5.651 ( -2.471 0.742 -5.522) 6.095 5.730 ( 0.386 -1.154 -7.998) 8.090 5.825 ( 6.631 1.498 -1.694) 7.006 5.916 ( 4.291 -0.780 0.667) 4.412 6.032 ( 2.256 -0.781 -0.403) 2.421 6.079 ( -9.744 3.730 -4.349) 11.303 6.286 ( 0.574 -1.891 -8.191) 8.426 6.376 ( 5.973 0.329 -1.368) 6.136 6.453 ( -3.135 -3.115 -5.543) 7.089 6.665 ( -6.287 -1.700 -1.843) 6.769 6.772 ( -6.637 0.378 -0.157) 6.649 6.887 ( -5.474 -4.698 -6.734) 9.868 7.142 ( -5.090 -1.764 2.169) 5.808 7.168 ( -3.026 0.245 0.781) 3.135 7.382 ( 2.383 0.899 2.711) 3.720 7.563 ( -4.638 1.770 6.058) 7.832 7.769 ( 2.019 -3.494 7.486) 8.504 7.898 ( 2.040 -1.524 3.739) 4.524 8.200 ( -6.141 -0.266 3.452) 7.050 8.257 ( -0.576 -2.358 -1.266) 2.738 8.363 ( 1.689 -3.615 0.842) 4.078 8.536 ( -9.366 -6.128 0.031) 11.193 8.749 ( -0.738 -3.093 -5.104) 6.013 8.842 ( 2.273 -4.893 1.380) 5.569 9.158 ( -3.112 -0.312 2.760) 4.171 9.283 ( -5.340 -2.057 9.755) 11.309 10.044 ( 11.825 -2.088 -7.722) 14.277 10.179 ( 2.726 -0.401 2.728) 3.877 10.607 ( 5.999 -1.519 -0.069) 6.189 10.665 ( 2.107 0.779 3.566) 4.214 10.777 ( -2.573 1.753 -6.937) 7.604 10.896 ( -7.007 -1.283 -2.482) 7.544 11.342 ( 7.050 2.097 1.307) 7.471 11.494 ( -6.147 2.243 1.443) 6.700 11.766 ( 26.766 -1.190 -0.374) 26.795 12.293 ( -21.521 -1.680 -1.977) 21.677 12.639 ( -0.162 -0.211 -7.968) 7.972 12.764 ( -5.972 -0.699 -2.955) 6.700 13.386 ( 7.114 1.243 -5.846) 9.291 13.516 ( -4.537 -0.439 4.871) 6.671 13.793 ( 1.935 -2.460 9.155) 9.675 13.900 ( -3.162 -0.743 8.971) 9.541 14.188 ( 7.019 -7.913 -3.646) 11.188 14.241 ( 1.573 -7.436 2.429) 7.979 14.880 ( 10.190 0.057 -4.748) 11.242 14.981 ( 10.029 -1.620 -1.762) 10.311 15.161 ( -2.250 -1.381 -1.670) 3.124 15.361 ( -12.607 -0.439 -5.018) 13.576 18.358 ( 6.605 -1.444 5.755) 8.879 18.564 ( -11.681 -2.570 7.392) 14.060 18.865 ( 10.685 -1.312 -1.277) 10.841 19.093 ( -7.356 -1.619 1.656) 7.712 20.097 ( 1.249 -1.319 7.694) 7.905 20.221 ( -10.104 -1.314 9.105) 13.665 21.513 ( 13.209 -1.942 -10.034) 16.701 21.670 ( 1.395 -1.945 -14.109) 14.311 22.330 ( -5.915 0.601 6.909) 9.115 22.369 ( -7.221 0.464 10.388) 12.660 23.167 ( 3.718 -1.685 -3.486) 5.368 23.226 ( 0.919 -0.845 -4.517) 4.686 26.893 ( 1.627 -0.144 3.632) 3.983 26.940 ( -2.370 -0.306 6.929) 7.330 27.158 ( 5.217 -0.070 -1.090) 5.331 27.262 ( -4.313 -0.105 -0.691) 4.369 28.595 ( 15.644 0.087 6.577) 16.970 28.686 ( 25.920 -17.206 7.547) 32.013 28.920 ( -13.922 0.226 5.259) 14.884 29.143 ( -15.946 -10.970 5.581) 20.144 29.580 ( 9.028 -6.952 -6.071) 12.911 29.796 ( -3.143 -4.065 -3.507) 6.221 29.891 ( 7.124 -1.633 -9.556) 12.030 30.147 ( -10.682 -5.289 -8.701) 14.757 30.746 ( 1.839 0.837 7.161) 7.440 30.843 ( -5.710 3.012 7.251) 9.708 31.088 ( 5.971 1.464 -0.618) 6.179 31.222 ( -5.528 0.385 -2.350) 6.019 31.428 ( -0.324 4.810 1.524) 5.056 31.549 ( -0.041 4.473 5.143) 6.816 32.054 ( 10.568 14.531 -9.728) 20.432 32.434 ( -14.232 12.424 -8.980) 20.918 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.33 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 0.000 13.531 18.319) 22.774 1.766 ( 0.000 19.133 13.078) 23.175 2.429 ( 0.000 13.131 -1.894) 13.267 2.556 ( 0.000 -0.339 -7.421) 7.429 2.694 ( 0.000 6.905 -3.020) 7.536 2.759 ( 0.000 -4.016 -6.239) 7.420 3.224 ( 0.000 7.847 -9.438) 12.274 3.232 ( 0.000 16.159 -11.990) 20.122 3.373 ( 0.000 -2.148 -1.765) 2.780 3.427 ( 0.000 3.578 -5.659) 6.696 3.529 ( 0.000 14.969 3.839) 15.453 3.652 ( 0.000 2.240 -9.144) 9.414 3.832 ( 0.000 2.430 -6.256) 6.711 3.958 ( 0.000 0.974 6.201) 6.277 4.032 ( 0.000 5.408 5.756) 7.898 4.111 ( 0.000 11.317 -0.219) 11.319 4.255 ( 0.000 0.925 3.212) 3.342 4.324 ( 0.000 6.385 -7.827) 10.101 4.544 ( 0.000 1.632 -2.273) 2.798 4.582 ( 0.000 -3.568 7.865) 8.636 4.729 ( 0.000 1.321 -1.486) 1.988 4.777 ( 0.000 -5.409 -2.265) 5.864 4.995 ( 0.000 -5.888 3.295) 6.748 5.080 ( 0.000 2.184 2.912) 3.640 5.155 ( 0.000 -3.150 0.898) 3.275 5.249 ( 0.000 -0.304 7.493) 7.499 5.352 ( 0.000 2.709 9.473) 9.853 5.443 ( 0.000 0.878 8.774) 8.818 5.548 ( 0.000 -4.662 2.738) 5.407 5.669 ( 0.000 3.642 4.734) 5.973 5.704 ( 0.000 -1.362 -8.338) 8.449 5.964 ( 0.000 -2.162 -1.216) 2.480 5.970 ( 0.000 -4.744 -11.619) 12.551 6.078 ( 0.000 -5.658 -0.125) 5.659 6.262 ( 0.000 3.775 -0.428) 3.799 6.281 ( 0.000 -4.695 2.011) 5.108 6.560 ( 0.000 -1.687 1.045) 1.984 6.668 ( 0.000 -1.205 -5.137) 5.277 6.774 ( 0.000 -3.874 -5.687) 6.882 6.983 ( 0.000 -8.061 -7.905) 11.290 7.219 ( 0.000 -2.065 3.832) 4.352 7.411 ( 0.000 1.970 2.322) 3.045 7.466 ( 0.000 -0.331 -7.575) 7.582 7.636 ( 0.000 -6.408 3.310) 7.213 7.886 ( 0.000 1.137 -2.663) 2.895 7.961 ( 0.000 -1.990 -4.831) 5.225 8.087 ( 0.000 -4.778 2.620) 5.449 8.128 ( 0.000 -2.934 5.084) 5.870 8.534 ( 0.000 3.768 1.743) 4.152 8.570 ( 0.000 -4.816 -0.922) 4.903 8.957 ( 0.000 -3.112 2.664) 4.097 9.184 ( 0.000 -0.173 -1.059) 1.073 9.280 ( 0.000 -0.783 -1.584) 1.767 9.434 ( 0.000 -3.345 1.212) 3.558 9.661 ( 0.000 3.097 -9.767) 10.246 9.984 ( 0.000 -1.608 -4.670) 4.940 10.245 ( 0.000 -0.360 -1.354) 1.401 10.524 ( 0.000 -0.189 6.386) 6.389 10.699 ( 0.000 -1.258 4.107) 4.296 10.864 ( 0.000 -2.821 11.437) 11.780 11.095 ( 0.000 0.634 -1.240) 1.393 11.180 ( 0.000 0.967 3.834) 3.954 12.033 ( 0.000 -0.429 4.446) 4.467 12.367 ( 0.000 1.401 8.992) 9.100 12.895 ( 0.000 -0.391 -0.474) 0.615 12.961 ( 0.000 -1.445 -10.478) 10.577 13.109 ( 0.000 1.418 -13.763) 13.836 13.307 ( 0.000 -0.249 -2.810) 2.821 13.837 ( 0.000 0.466 9.481) 9.493 13.974 ( 0.000 -2.025 -2.163) 2.963 14.004 ( 0.000 0.542 7.485) 7.505 14.184 ( 0.000 -1.239 9.618) 9.697 14.327 ( 0.000 -2.527 -1.742) 3.070 14.545 ( 0.000 -0.927 1.258) 1.563 15.296 ( 0.000 0.111 -8.791) 8.792 15.648 ( 0.000 0.020 -11.639) 11.639 18.282 ( 0.000 -1.012 3.324) 3.475 18.572 ( 0.000 1.803 -2.011) 2.701 18.951 ( 0.000 -1.239 8.944) 9.029 19.142 ( 0.000 -2.699 4.482) 5.231 20.159 ( 0.000 -1.192 8.192) 8.278 20.617 ( 0.000 -0.967 8.143) 8.201 20.998 ( 0.000 -2.364 -5.374) 5.871 21.538 ( 0.000 -0.365 -5.119) 5.132 22.371 ( 0.000 -1.557 9.506) 9.633 22.784 ( 0.000 -0.137 -3.949) 3.952 22.979 ( 0.000 -0.403 -6.762) 6.774 23.098 ( 0.000 -2.187 -3.438) 4.075 26.857 ( 0.000 -0.071 0.624) 0.628 27.016 ( 0.000 0.128 -1.744) 1.748 27.092 ( 0.000 -3.290 18.952) 19.236 27.292 ( 0.000 -0.039 -0.017) 0.043 27.412 ( 0.000 -0.926 6.576) 6.641 28.279 ( 0.000 1.707 10.323) 10.463 29.074 ( 0.000 -5.308 -8.570) 10.080 29.297 ( 0.000 -1.871 4.600) 4.966 29.401 ( 0.000 -3.740 6.508) 7.506 29.783 ( 0.000 2.034 -12.780) 12.941 29.985 ( 0.000 1.395 -3.934) 4.174 30.222 ( 0.000 -2.233 -5.459) 5.898 30.854 ( 0.000 -4.854 -0.579) 4.888 30.923 ( 0.000 1.012 -3.902) 4.031 31.056 ( 0.000 4.679 8.802) 9.968 31.394 ( 0.000 6.589 8.533) 10.781 31.585 ( 0.000 2.326 -1.887) 2.995 31.593 ( 0.000 0.524 6.485) 6.506 31.962 ( 0.000 10.634 -4.720) 11.634 32.979 ( 0.000 -1.578 -15.100) 15.182 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.20 0.33 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 1.078 16.952 10.414) 19.924 1.966 ( 15.539 5.063 12.983) 20.872 2.375 ( -16.468 -5.466 -18.193) 25.141 2.592 ( 5.825 10.275 -5.114) 12.871 2.744 ( 7.557 6.277 1.381) 9.921 2.890 ( 12.310 9.377 1.335) 15.532 3.116 ( -1.625 14.382 -2.711) 14.725 3.294 ( -3.732 8.924 -1.647) 9.812 3.387 ( 4.932 7.647 -1.256) 9.186 3.460 ( 4.411 5.225 -3.640) 7.746 3.558 ( 2.354 9.833 1.676) 10.249 3.701 ( -1.126 3.568 -2.713) 4.622 3.866 ( 3.736 1.857 -8.781) 9.722 3.956 ( 2.149 2.941 4.041) 5.440 4.105 ( 3.227 1.027 5.430) 6.399 4.169 ( 3.074 5.178 1.167) 6.134 4.276 ( 4.303 5.941 -3.862) 8.290 4.335 ( 4.277 3.127 -3.486) 6.342 4.457 ( -5.011 -1.596 -0.448) 5.278 4.573 ( -0.824 -3.219 5.882) 6.756 4.711 ( -0.769 -1.482 -1.166) 2.037 4.806 ( -2.518 -0.455 3.273) 4.154 5.014 ( 0.167 1.732 -1.649) 2.397 5.060 ( 3.112 -1.594 2.157) 4.109 5.164 ( -0.712 -2.181 2.637) 3.495 5.238 ( -4.144 -0.331 6.453) 7.677 5.419 ( 6.162 -0.121 3.566) 7.120 5.471 ( -5.258 -1.503 -3.498) 6.492 5.529 ( 3.131 -3.486 -0.447) 4.707 5.625 ( 0.288 -2.779 2.405) 3.686 5.690 ( 1.911 -1.492 -2.536) 3.508 5.896 ( -2.279 -0.747 -4.029) 4.689 5.964 ( -0.813 -1.616 0.518) 1.882 6.126 ( 2.386 -3.484 -1.311) 4.422 6.270 ( 0.466 -0.886 -1.050) 1.450 6.360 ( 4.602 -1.621 -1.179) 5.019 6.441 ( -6.382 -0.915 -4.531) 7.880 6.702 ( -2.112 -1.744 -7.324) 7.819 6.806 ( 2.271 -3.665 -9.063) 10.037 6.971 ( -1.588 -2.573 1.192) 3.250 7.250 ( -3.260 -1.088 1.383) 3.704 7.277 ( -2.388 -1.211 4.367) 5.123 7.408 ( -7.390 0.628 -3.945) 8.401 7.677 ( -2.068 -2.791 3.261) 4.765 7.745 ( -5.454 1.832 3.429) 6.698 7.922 ( -7.012 -3.383 -1.537) 7.936 8.123 ( 4.199 -3.362 -6.556) 8.480 8.190 ( 4.223 -3.198 4.056) 6.672 8.433 ( -8.547 -0.541 -1.449) 8.686 8.584 ( -0.730 -1.429 4.149) 4.449 8.735 ( -11.376 -5.477 4.542) 13.418 8.831 ( -12.673 -3.619 2.152) 13.354 9.265 ( -6.019 -0.556 -5.167) 7.952 9.454 ( -9.116 -0.795 7.325) 11.721 9.789 ( 9.539 1.119 -10.577) 14.288 10.051 ( 4.979 1.195 2.551) 5.721 10.341 ( 16.443 -2.472 -1.511) 16.696 10.671 ( -1.666 -0.648 8.034) 8.231 10.820 ( 6.860 -0.315 -11.167) 13.110 10.894 ( 1.918 -1.079 2.909) 3.648 11.182 ( 14.025 -0.500 6.150) 15.322 11.237 ( 7.993 1.317 4.841) 9.437 11.797 ( -14.885 0.872 2.453) 15.111 12.554 ( 1.919 -1.584 7.482) 7.885 12.760 ( -3.953 0.155 -6.136) 7.301 12.778 ( -10.111 -0.225 -9.991) 14.216 13.245 ( 8.095 0.824 -12.419) 14.848 13.439 ( 6.154 -2.695 9.178) 11.374 13.819 ( -6.224 -0.628 -0.197) 6.259 13.895 ( 1.792 -0.800 3.793) 4.271 14.014 ( 0.248 0.074 5.957) 5.963 14.110 ( -2.187 -3.731 10.161) 11.043 14.556 ( 16.402 -0.619 -2.853) 16.660 14.705 ( 11.290 -1.353 -0.162) 11.372 15.248 ( -4.276 -0.022 -7.487) 8.622 15.576 ( -6.986 -0.015 -10.480) 12.595 18.285 ( 0.677 -0.339 3.750) 3.826 18.629 ( 5.111 1.040 -0.909) 5.294 18.811 ( -10.389 -2.073 7.469) 12.962 19.146 ( -1.035 -1.780 4.333) 4.798 20.110 ( -3.626 -1.361 6.829) 7.850 20.456 ( -12.537 -0.957 8.849) 15.375 21.161 ( 13.620 -2.068 -5.697) 14.907 21.584 ( 3.431 -0.413 -8.325) 9.013 22.412 ( 1.186 -0.750 8.877) 8.988 22.579 ( -12.356 -0.312 -0.757) 12.383 23.072 ( 0.149 -1.885 -2.769) 3.353 23.130 ( 6.615 -0.725 -6.085) 9.017 26.865 ( 0.787 -0.046 1.392) 1.600 26.995 ( -4.013 -0.779 10.974) 11.710 27.059 ( 3.640 -0.013 -1.510) 3.941 27.329 ( -1.805 -0.027 -1.070) 2.099 27.733 ( 27.787 -7.173 11.248) 30.824 28.382 ( 9.379 1.830 8.758) 12.962 29.127 ( -0.904 -2.388 -1.784) 3.115 29.225 ( -2.337 -4.921 -0.009) 5.448 29.309 ( -6.946 -3.964 5.814) 9.888 29.809 ( 2.151 1.455 -12.286) 12.557 29.907 ( -6.826 -0.009 -4.652) 8.260 30.212 ( -2.576 -2.755 -6.964) 7.920 30.759 ( -3.601 -1.858 2.217) 4.619 31.000 ( 2.302 1.331 -0.510) 2.708 31.033 ( -1.168 3.283 5.854) 6.813 31.349 ( -4.151 3.971 0.748) 5.793 31.536 ( -1.579 1.982 9.953) 10.270 31.624 ( 0.935 3.706 0.576) 3.865 32.064 ( 8.571 9.734 -5.057) 13.921 32.860 ( -10.360 0.909 -13.042) 16.681 ======================= Grid point 62 (27/60) ======================= q-point: ( 0.40 0.33 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 6.412 9.558 -4.450) 12.340 2.011 ( -14.977 0.532 -19.231) 24.381 2.335 ( 15.936 0.458 8.240) 17.946 2.611 ( -3.097 0.740 -0.461) 3.217 2.841 ( -0.142 13.383 1.241) 13.442 3.023 ( 1.669 12.211 3.477) 12.805 3.126 ( -0.009 20.118 2.227) 20.241 3.247 ( -0.454 5.618 1.612) 5.863 3.414 ( -2.825 8.772 0.054) 9.216 3.590 ( 2.777 10.759 14.675) 18.407 3.680 ( 0.440 5.498 -2.354) 5.997 3.726 ( 10.869 0.939 0.784) 10.938 3.914 ( 4.708 0.692 -5.533) 7.297 4.021 ( 2.633 0.534 -0.346) 2.708 4.070 ( -0.446 2.140 3.093) 3.788 4.256 ( -4.668 1.062 3.986) 6.229 4.332 ( 0.545 2.230 3.026) 3.798 4.385 ( -1.796 3.002 2.123) 4.092 4.494 ( 4.518 2.287 -0.333) 5.075 4.622 ( 4.598 3.656 -1.934) 6.185 4.701 ( 5.239 -1.740 2.886) 6.229 4.776 ( 0.080 -0.405 3.094) 3.121 5.028 ( 1.794 0.275 0.538) 1.893 5.071 ( -1.288 -0.728 -3.714) 3.998 5.152 ( -1.923 -3.098 -2.346) 4.336 5.169 ( -0.199 -4.038 -1.346) 4.262 5.313 ( -3.647 -4.186 -4.553) 7.180 5.395 ( -7.041 -2.660 -1.628) 7.701 5.646 ( 0.485 -1.055 -9.689) 9.758 5.690 ( 3.064 -2.336 -5.608) 6.804 5.829 ( 9.748 -0.367 -0.525) 9.769 5.908 ( 7.447 -1.424 2.347) 7.937 6.018 ( 1.530 -0.494 -3.104) 3.495 6.112 ( -7.667 -0.516 -5.575) 9.493 6.258 ( 1.858 -0.739 -3.198) 3.772 6.350 ( 2.207 -2.487 -0.998) 3.471 6.440 ( -0.062 2.127 -7.036) 7.350 6.618 ( -4.373 -2.679 -1.910) 5.472 6.782 ( -10.314 -0.331 -4.438) 11.233 6.802 ( -8.302 -2.780 -6.415) 10.854 7.129 ( -1.699 0.432 4.357) 4.696 7.169 ( -3.116 -0.464 3.448) 4.670 7.393 ( 4.250 0.043 3.336) 5.403 7.565 ( -6.756 -1.697 5.988) 9.186 7.713 ( 0.076 -1.329 4.463) 4.657 7.860 ( 1.681 -2.324 3.085) 4.213 8.168 ( 0.319 -1.563 -3.583) 3.922 8.235 ( -2.988 -0.365 -0.875) 3.135 8.314 ( -0.347 -1.503 3.535) 3.857 8.425 ( -8.181 -4.803 2.273) 9.756 8.681 ( -0.423 -3.987 -3.186) 5.121 8.721 ( 2.571 -6.092 2.925) 7.230 9.151 ( -3.042 -0.552 2.128) 3.754 9.238 ( -7.612 -1.882 9.438) 12.270 10.012 ( 10.161 -1.015 -7.759) 12.825 10.168 ( -0.084 -0.756 1.077) 1.318 10.563 ( 8.654 -2.393 -1.466) 9.098 10.671 ( 1.069 -0.292 5.848) 5.952 10.813 ( -3.305 1.705 -5.962) 7.027 10.877 ( -5.497 -0.625 -1.741) 5.799 11.383 ( 8.949 1.713 1.437) 9.224 11.536 ( -5.823 1.932 1.126) 6.238 11.741 ( 25.728 -1.192 0.436) 25.759 12.263 ( -21.528 -1.210 -1.668) 21.626 12.637 ( -0.597 0.096 -8.382) 8.404 12.750 ( -5.217 -0.680 -3.828) 6.506 13.410 ( 7.191 1.094 -6.214) 9.567 13.504 ( -0.083 -0.654 11.039) 11.058 13.750 ( 0.632 -1.689 3.567) 3.997 13.882 ( -3.692 -1.253 10.561) 11.258 14.063 ( 3.422 -4.141 2.424) 5.893 14.113 ( 0.888 -5.099 3.486) 6.240 14.891 ( 10.768 0.825 -4.921) 11.868 14.956 ( 12.555 -0.971 -4.843) 13.491 15.142 ( -3.236 -0.600 -3.387) 4.723 15.353 ( -13.624 -0.357 -7.295) 15.459 18.343 ( 5.603 -0.239 5.531) 7.877 18.528 ( -11.185 -1.045 7.443) 13.476 18.843 ( 10.273 -0.839 -1.398) 10.402 19.060 ( -7.319 -1.510 1.459) 7.614 20.070 ( 1.407 -1.230 7.643) 7.869 20.197 ( -10.178 -1.050 9.126) 13.710 21.475 ( 13.247 -1.755 -11.094) 17.368 21.635 ( -0.304 -1.490 -14.245) 14.326 22.342 ( -5.088 0.615 7.902) 9.418 22.372 ( -6.228 -0.187 9.758) 11.578 23.133 ( 4.717 -1.572 -2.839) 5.725 23.206 ( 0.062 -1.084 -4.704) 4.827 26.891 ( 1.552 -0.049 3.436) 3.771 26.934 ( -2.116 -0.278 6.457) 6.800 27.156 ( 5.113 -0.134 -1.232) 5.261 27.260 ( -4.388 -0.134 -0.886) 4.479 28.375 ( 29.701 -10.567 7.824) 32.481 28.648 ( 15.021 1.879 6.566) 16.500 28.888 ( -17.452 -4.997 3.808) 18.548 28.997 ( -17.005 -1.865 7.706) 18.763 29.444 ( 12.230 -6.010 -4.572) 14.373 29.717 ( -10.269 -3.876 -3.838) 11.628 29.883 ( 4.845 0.451 -12.302) 13.229 30.075 ( -8.698 -2.419 -9.475) 13.087 30.777 ( 4.710 1.889 5.745) 7.665 30.913 ( -6.396 3.460 7.231) 10.255 31.109 ( 5.206 0.605 -1.863) 5.562 31.233 ( -6.185 0.571 -2.018) 6.531 31.535 ( 0.763 5.324 5.285) 7.541 31.630 ( -0.168 3.415 6.135) 7.024 32.286 ( 11.555 8.864 -7.537) 16.398 32.597 ( -12.902 4.718 -8.509) 16.160 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 0.44 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.000 4.384 18.453) 18.967 2.106 ( 0.000 13.335 7.998) 15.550 2.448 ( 0.000 -7.690 -8.950) 11.800 2.580 ( 0.000 3.031 1.507) 3.385 2.699 ( 0.000 -1.285 -20.873) 20.912 2.819 ( 0.000 4.457 -3.293) 5.542 3.164 ( 0.000 -5.217 -5.309) 7.443 3.373 ( 0.000 1.757 -5.580) 5.850 3.519 ( 0.000 7.796 -5.147) 9.342 3.543 ( 0.000 3.223 -12.127) 12.548 3.668 ( 0.000 -1.042 -6.126) 6.214 3.785 ( 0.000 6.874 -2.641) 7.364 3.917 ( 0.000 5.886 2.894) 6.559 3.985 ( 0.000 1.263 6.728) 6.846 4.137 ( 0.000 5.950 6.427) 8.758 4.235 ( 0.000 0.272 -0.724) 0.774 4.325 ( 0.000 4.624 4.879) 6.722 4.404 ( 0.000 -1.851 1.066) 2.136 4.514 ( 0.000 -1.460 1.387) 2.013 4.591 ( 0.000 6.182 -2.441) 6.647 4.736 ( 0.000 -4.157 -3.921) 5.715 4.740 ( 0.000 2.547 0.639) 2.625 4.857 ( 0.000 -7.064 2.268) 7.419 5.030 ( 0.000 -2.706 1.186) 2.955 5.171 ( 0.000 1.842 2.794) 3.347 5.249 ( 0.000 0.246 9.618) 9.621 5.399 ( 0.000 1.269 4.385) 4.565 5.443 ( 0.000 -0.505 8.567) 8.581 5.458 ( 0.000 -2.733 10.146) 10.508 5.705 ( 0.000 0.863 -8.557) 8.601 5.755 ( 0.000 3.527 1.086) 3.690 5.858 ( 0.000 -4.753 -12.612) 13.478 5.929 ( 0.000 -1.322 -0.889) 1.593 5.978 ( 0.000 -3.229 3.466) 4.737 6.206 ( 0.000 -2.129 -0.215) 2.140 6.316 ( 0.000 1.040 -4.260) 4.385 6.550 ( 0.000 0.115 5.027) 5.028 6.692 ( 0.000 3.433 -7.946) 8.656 6.709 ( 0.000 -2.042 -8.614) 8.853 6.831 ( 0.000 -6.492 -0.094) 6.492 7.190 ( 0.000 -0.762 5.182) 5.237 7.442 ( 0.000 0.942 0.850) 1.269 7.468 ( 0.000 0.699 -5.679) 5.721 7.515 ( 0.000 -4.562 4.852) 6.660 7.889 ( 0.000 -0.411 2.688) 2.719 7.930 ( 0.000 -0.863 -3.843) 3.938 8.044 ( 0.000 -0.311 0.418) 0.521 8.089 ( 0.000 -1.006 5.435) 5.527 8.492 ( 0.000 -2.399 -2.554) 3.504 8.597 ( 0.000 2.012 -0.663) 2.118 8.904 ( 0.000 -1.773 3.056) 3.533 9.179 ( 0.000 -0.187 -0.417) 0.457 9.295 ( 0.000 2.190 0.387) 2.224 9.361 ( 0.000 -3.757 -1.583) 4.077 9.712 ( 0.000 1.617 -11.500) 11.613 9.950 ( 0.000 -1.282 -4.670) 4.842 10.240 ( 0.000 -0.131 -1.017) 1.025 10.522 ( 0.000 -0.042 4.407) 4.407 10.679 ( 0.000 -0.623 4.859) 4.899 10.832 ( 0.000 -0.695 11.386) 11.407 11.105 ( 0.000 0.272 -1.895) 1.915 11.193 ( 0.000 0.317 3.536) 3.550 12.032 ( 0.000 0.068 2.855) 2.856 12.387 ( 0.000 0.564 8.531) 8.549 12.894 ( 0.000 0.184 4.423) 4.427 12.937 ( 0.000 -0.752 -15.491) 15.510 13.129 ( 0.000 0.545 -13.958) 13.968 13.305 ( 0.000 -0.037 -3.338) 3.338 13.844 ( 0.000 0.175 10.547) 10.549 13.947 ( 0.000 -0.685 -1.537) 1.683 14.013 ( 0.000 0.267 5.984) 5.990 14.166 ( 0.000 -0.467 9.784) 9.795 14.290 ( 0.000 -1.052 -1.678) 1.981 14.536 ( 0.000 -0.173 0.005) 0.173 15.297 ( 0.000 0.048 -8.799) 8.799 15.648 ( 0.000 -0.040 -12.359) 12.359 18.268 ( 0.000 -0.349 3.858) 3.874 18.600 ( 0.000 0.827 -2.233) 2.381 18.935 ( 0.000 -0.437 9.274) 9.285 19.101 ( 0.000 -1.129 4.921) 5.049 20.143 ( 0.000 -0.414 7.654) 7.665 20.604 ( 0.000 -0.355 8.287) 8.294 20.962 ( 0.000 -1.006 -4.446) 4.559 21.533 ( 0.000 -0.128 -5.230) 5.231 22.352 ( 0.000 -0.439 8.169) 8.181 22.781 ( 0.000 -0.066 -3.621) 3.621 22.974 ( 0.000 -0.152 -6.694) 6.696 23.066 ( 0.000 -0.878 -3.644) 3.748 26.856 ( 0.000 -0.025 0.629) 0.629 27.018 ( 0.000 0.028 -1.803) 1.803 27.054 ( 0.000 -0.849 17.081) 17.102 27.291 ( 0.000 -0.019 -0.000) 0.019 27.404 ( 0.000 -0.140 4.051) 4.053 28.306 ( 0.000 0.799 10.304) 10.335 28.999 ( 0.000 -1.986 -9.338) 9.547 29.270 ( 0.000 -0.736 5.507) 5.556 29.346 ( 0.000 -1.532 6.470) 6.649 29.816 ( 0.000 0.953 -14.785) 14.816 30.004 ( 0.000 0.484 -4.069) 4.098 30.184 ( 0.000 -1.181 -4.505) 4.657 30.788 ( 0.000 -1.680 -0.380) 1.723 30.937 ( 0.000 0.394 -7.056) 7.067 31.125 ( 0.000 1.893 10.364) 10.536 31.510 ( 0.000 4.561 10.951) 11.863 31.581 ( 0.000 -1.759 6.430) 6.666 31.617 ( 0.000 0.829 -1.598) 1.801 32.122 ( 0.000 4.569 -4.920) 6.714 32.940 ( 0.000 -1.542 -11.656) 11.757 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.20 0.44 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -3.565 7.231 13.522) 15.743 2.039 ( 9.613 2.317 11.856) 15.438 2.267 ( -13.114 -4.086 -20.618) 24.774 2.657 ( -0.571 0.150 -9.059) 9.078 2.868 ( 5.899 3.351 -0.608) 6.811 3.055 ( 24.496 7.014 4.563) 25.886 3.214 ( 3.059 -1.533 -0.231) 3.430 3.373 ( 3.161 0.285 -1.423) 3.478 3.502 ( -1.770 3.174 -9.248) 9.936 3.624 ( 4.374 6.800 -6.174) 10.173 3.712 ( 1.422 3.785 -4.684) 6.188 3.810 ( 2.532 3.884 0.790) 4.703 3.882 ( 1.920 0.159 -2.036) 2.803 4.049 ( 1.948 7.395 4.240) 8.744 4.136 ( 0.479 2.813 7.249) 7.790 4.238 ( -1.789 -0.982 3.161) 3.762 4.316 ( -6.131 -2.171 1.231) 6.619 4.390 ( 6.108 2.541 2.107) 6.943 4.437 ( -0.402 -0.325 -3.506) 3.544 4.573 ( 0.719 3.516 0.769) 3.670 4.654 ( -1.448 -3.628 -1.713) 4.265 4.863 ( -3.503 3.905 4.217) 6.731 4.961 ( 5.126 -4.372 1.956) 7.015 5.062 ( 1.325 0.541 2.022) 2.477 5.114 ( 4.316 -2.524 -2.227) 5.474 5.253 ( -6.781 1.671 7.297) 10.100 5.410 ( 4.256 -2.600 0.647) 5.029 5.425 ( 1.775 -0.564 5.277) 5.596 5.462 ( -3.758 -1.809 -8.279) 9.270 5.609 ( -8.657 0.394 1.408) 8.780 5.661 ( 2.978 -1.170 -6.780) 7.497 5.893 ( 2.820 0.360 -1.123) 3.057 5.928 ( -0.654 -1.522 3.365) 3.750 6.055 ( 3.643 -2.676 -0.722) 4.577 6.268 ( 0.771 1.390 -1.013) 1.884 6.314 ( 1.262 -2.726 -2.511) 3.915 6.475 ( -0.902 2.274 -1.565) 2.905 6.667 ( -4.271 -1.370 -7.773) 8.974 6.738 ( 1.159 -2.242 -14.154) 14.378 6.937 ( 6.044 -0.953 4.990) 7.895 7.226 ( 0.175 -0.527 5.522) 5.550 7.262 ( -7.769 -0.667 4.244) 8.878 7.428 ( -5.974 1.049 -5.172) 7.971 7.608 ( 0.543 -2.728 4.691) 5.454 7.791 ( -5.981 2.374 2.580) 6.932 7.855 ( -6.605 -3.057 -2.911) 7.839 8.092 ( 4.750 -0.111 -2.558) 5.396 8.146 ( 4.365 -1.275 3.838) 5.951 8.397 ( -6.597 -1.752 -4.163) 7.995 8.606 ( -7.051 2.156 3.768) 8.280 8.650 ( -10.263 -2.653 3.761) 11.248 8.765 ( -14.742 -2.477 4.031) 15.483 9.255 ( -6.222 -0.312 -5.615) 8.387 9.442 ( -8.366 -0.339 7.160) 11.017 9.807 ( 7.861 0.511 -11.579) 14.004 10.068 ( 4.492 0.431 1.978) 4.927 10.299 ( 16.099 -1.284 -1.891) 16.260 10.660 ( -0.844 -0.361 8.443) 8.493 10.816 ( 8.603 -0.073 -11.499) 14.361 10.880 ( 2.809 -0.356 3.894) 4.815 11.174 ( 10.882 -0.257 5.810) 12.338 11.256 ( 9.669 0.532 4.358) 10.619 11.809 ( -14.437 0.323 2.338) 14.629 12.537 ( 1.165 -0.315 6.690) 6.798 12.765 ( -4.873 0.344 -4.623) 6.726 12.773 ( -9.302 -0.271 -11.058) 14.453 13.257 ( 8.117 0.304 -12.881) 15.228 13.407 ( 5.087 -0.728 8.920) 10.295 13.807 ( -7.352 -0.363 -3.815) 8.291 13.890 ( 2.818 -0.009 8.091) 8.567 14.017 ( -0.091 0.147 5.733) 5.736 14.056 ( -4.709 -1.474 10.970) 12.028 14.547 ( 17.614 -0.245 -2.966) 17.864 14.690 ( 11.030 -0.332 -1.615) 11.152 15.249 ( -4.423 0.018 -7.690) 8.871 15.575 ( -7.048 -0.051 -11.333) 13.346 18.280 ( 1.269 -0.128 4.092) 4.286 18.652 ( 5.108 0.884 -1.703) 5.457 18.777 ( -11.481 -1.078 8.348) 14.236 19.120 ( -0.540 -0.692 4.431) 4.517 20.091 ( -3.716 -0.521 6.652) 7.638 20.443 ( -12.571 -0.343 8.962) 15.443 21.129 ( 13.925 -0.885 -5.497) 14.997 21.578 ( 3.145 -0.165 -8.413) 8.983 22.403 ( 2.060 -0.201 8.161) 8.419 22.574 ( -12.443 -0.143 -0.651) 12.461 23.043 ( -0.285 -0.805 -2.172) 2.333 23.120 ( 6.872 -0.261 -6.491) 9.456 26.864 ( 0.808 -0.013 1.365) 1.586 26.985 ( -3.362 -0.252 10.551) 11.076 27.058 ( 3.579 -0.025 -1.667) 3.949 27.329 ( -1.807 -0.014 -1.197) 2.168 27.649 ( 23.714 -1.838 9.163) 25.489 28.410 ( 9.488 0.827 8.640) 12.859 29.093 ( 6.946 -0.807 -6.522) 9.563 29.151 ( -9.466 -2.228 3.147) 10.221 29.258 ( -8.191 -1.259 7.865) 11.425 29.831 ( 1.604 0.641 -14.229) 14.334 29.905 ( -8.863 -0.134 -4.828) 10.093 30.169 ( -2.966 -1.217 -6.202) 6.981 30.736 ( -0.899 -0.534 1.756) 2.044 31.013 ( 4.549 0.338 -5.805) 7.383 31.087 ( -3.571 1.551 9.408) 10.182 31.409 ( -8.156 1.650 0.400) 8.330 31.563 ( 1.803 0.723 12.957) 13.102 31.678 ( 1.561 1.460 1.289) 2.496 32.207 ( 7.457 4.021 -4.990) 9.832 32.854 ( -7.606 -0.657 -10.557) 13.028 ======================= Grid point 67 (30/60) ======================= q-point: ( 0.40 0.44 0.17) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.601 3.420 1.450) 3.763 2.012 ( -8.850 -0.209 -16.220) 18.479 2.338 ( 14.693 0.388 7.877) 16.676 2.587 ( -7.090 -1.203 0.024) 7.191 3.044 ( 9.963 5.342 3.280) 11.771 3.204 ( -1.315 4.538 4.547) 6.557 3.292 ( 3.101 2.143 5.536) 6.697 3.384 ( -6.473 3.805 -2.949) 8.066 3.597 ( -1.405 8.038 -1.293) 8.262 3.707 ( 4.046 -0.573 3.117) 5.140 3.747 ( 4.504 1.841 -3.720) 6.125 3.795 ( -4.432 2.936 0.660) 5.357 3.967 ( 8.499 2.248 2.911) 9.261 4.044 ( -0.838 4.661 1.171) 4.878 4.107 ( 2.251 1.778 3.591) 4.596 4.246 ( 2.885 -1.462 2.596) 4.147 4.345 ( -1.197 0.251 5.703) 5.832 4.416 ( -7.578 -1.857 9.366) 12.190 4.551 ( 2.026 4.715 -3.481) 6.201 4.645 ( 3.081 -3.460 1.819) 4.977 4.679 ( 17.656 0.269 -1.417) 17.715 4.817 ( 0.446 3.052 -0.622) 3.147 4.999 ( -2.923 -1.499 0.027) 3.285 5.068 ( 0.333 -0.870 -2.361) 2.538 5.086 ( -4.129 -2.653 0.986) 5.006 5.150 ( -1.305 1.464 -5.419) 5.763 5.259 ( -4.537 -0.965 -8.886) 10.024 5.356 ( -10.236 -1.423 -1.063) 10.389 5.627 ( 3.874 -0.416 -10.301) 11.013 5.650 ( 6.831 -1.375 -6.624) 9.614 5.830 ( 11.813 0.625 -0.310) 11.834 5.864 ( 4.937 -2.168 4.324) 6.912 5.991 ( -2.704 -1.588 -4.003) 5.084 6.101 ( 0.236 -0.289 -6.276) 6.287 6.250 ( 3.525 0.010 -0.396) 3.547 6.313 ( -3.475 -1.037 -0.806) 3.714 6.499 ( -2.474 2.801 -6.232) 7.266 6.570 ( -0.039 -1.806 -3.098) 3.587 6.734 ( -2.038 -1.971 -10.376) 10.757 6.802 ( -18.126 0.425 -4.388) 18.654 7.143 ( -0.408 0.404 5.089) 5.122 7.156 ( -1.516 -0.344 5.834) 6.038 7.390 ( 3.332 -0.010 4.983) 5.994 7.513 ( -6.740 -2.398 6.327) 9.550 7.731 ( -0.813 2.751 1.441) 3.210 7.801 ( 0.258 -3.497 0.870) 3.612 8.177 ( 2.505 2.219 -1.750) 3.776 8.221 ( 0.982 -1.335 0.539) 1.743 8.294 ( -2.122 -0.657 -0.410) 2.259 8.350 ( -9.347 -2.389 3.046) 10.117 8.591 ( 1.894 -3.167 0.064) 3.691 8.649 ( -1.000 -1.621 2.420) 3.080 9.138 ( -2.554 -0.531 2.605) 3.687 9.216 ( -9.057 -0.436 9.626) 13.224 10.001 ( 9.474 -0.158 -8.129) 12.484 10.153 ( -1.967 -0.503 -0.008) 2.030 10.526 ( 9.871 -1.061 -1.076) 9.986 10.661 ( -0.122 -0.386 6.262) 6.275 10.842 ( -3.023 1.020 -5.098) 6.014 10.867 ( -4.528 -0.508 -1.327) 4.746 11.406 ( 10.687 0.564 1.466) 10.801 11.566 ( -6.879 0.863 1.052) 7.012 11.722 ( 26.092 -0.557 0.750) 26.109 12.246 ( -21.716 -0.403 -1.675) 21.784 12.641 ( -0.379 0.161 -8.364) 8.374 12.740 ( -5.403 -0.322 -4.438) 6.999 13.426 ( 7.270 0.476 -6.355) 9.668 13.494 ( 2.787 -0.251 15.605) 15.854 13.728 ( 0.526 -0.515 -2.055) 2.183 13.854 ( -6.512 -1.124 12.384) 14.037 14.022 ( 1.423 -0.364 4.701) 4.925 14.043 ( 1.237 -1.999 3.861) 4.521 14.907 ( 9.934 0.635 -4.423) 10.893 14.940 ( 14.999 -0.598 -6.929) 16.533 15.135 ( -3.967 -0.155 -4.272) 5.832 15.347 ( -14.122 -0.158 -8.401) 16.433 18.342 ( 5.281 0.022 5.467) 7.601 18.517 ( -10.969 -0.198 7.424) 13.246 18.833 ( 10.288 -0.245 -1.302) 10.373 19.038 ( -7.434 -0.608 1.267) 7.566 20.053 ( 1.574 -0.487 7.664) 7.839 20.182 ( -10.295 -0.394 9.168) 13.791 21.449 ( 13.676 -0.702 -11.492) 17.878 21.614 ( -1.381 -0.548 -14.413) 14.490 22.354 ( -4.897 0.540 9.095) 10.344 22.365 ( -5.674 -0.456 8.838) 10.512 23.110 ( 5.434 -0.649 -2.294) 5.934 23.189 ( -0.606 -0.463 -4.866) 4.925 26.890 ( 1.596 0.005 3.307) 3.672 26.930 ( -2.073 -0.117 6.185) 6.524 27.154 ( 5.058 -0.071 -1.330) 5.230 27.258 ( -4.457 -0.064 -1.024) 4.574 28.241 ( 29.417 -3.226 7.700) 30.579 28.677 ( 14.824 0.834 6.368) 16.156 28.798 ( -21.761 -2.625 4.849) 22.449 28.998 ( -14.560 0.520 7.254) 16.275 29.357 ( 13.813 -2.438 -4.541) 14.743 29.658 ( -13.612 -1.676 -4.273) 14.365 29.895 ( 4.732 0.475 -12.807) 13.662 30.042 ( -7.677 -0.903 -9.744) 12.438 30.807 ( 6.701 0.886 4.728) 8.249 30.967 ( -7.196 1.586 7.118) 10.245 31.114 ( 4.998 0.038 -3.094) 5.878 31.241 ( -7.086 0.206 -1.181) 7.187 31.617 ( 2.641 2.379 8.559) 9.267 31.677 ( -1.243 1.158 5.156) 5.428 32.407 ( 10.763 3.130 -6.197) 12.807 32.649 ( -11.013 0.976 -8.099) 13.706 ======================= Grid point 90 (31/60) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 0.000 24.167) 24.167 1.786 ( 0.000 0.000 35.665) 35.665 1.900 ( 0.000 0.000 -11.962) 11.962 2.106 ( 0.000 0.000 33.315) 33.315 2.294 ( 0.000 0.000 16.875) 16.875 2.582 ( 0.000 0.000 5.182) 5.182 2.650 ( 0.000 0.000 -4.394) 4.394 2.693 ( 0.000 0.000 -8.302) 8.302 2.955 ( 0.000 0.000 9.291) 9.291 3.119 ( 0.000 0.000 -21.270) 21.270 3.119 ( 0.000 0.000 -21.048) 21.048 3.408 ( 0.000 0.000 -16.557) 16.557 3.585 ( 0.000 0.000 -17.809) 17.809 3.663 ( 0.000 0.000 -5.627) 5.627 3.789 ( 0.000 0.000 0.816) 0.816 3.955 ( 0.000 0.000 -5.412) 5.412 4.018 ( 0.000 0.000 2.152) 2.152 4.271 ( 0.000 0.000 10.937) 10.937 4.358 ( 0.000 0.000 -1.633) 1.633 4.653 ( 0.000 0.000 -6.012) 6.012 4.754 ( 0.000 0.000 -7.303) 7.303 4.901 ( 0.000 0.000 -7.589) 7.589 5.037 ( 0.000 0.000 2.676) 2.676 5.124 ( 0.000 0.000 -1.696) 1.696 5.278 ( 0.000 0.000 4.782) 4.782 5.366 ( 0.000 0.000 5.414) 5.414 5.474 ( 0.000 0.000 15.347) 15.347 5.509 ( 0.000 0.000 5.293) 5.293 5.663 ( 0.000 0.000 16.399) 16.399 5.698 ( 0.000 0.000 -11.685) 11.685 5.890 ( 0.000 0.000 4.141) 4.141 6.050 ( 0.000 0.000 -0.473) 0.473 6.055 ( 0.000 0.000 11.127) 11.127 6.100 ( 0.000 0.000 -5.879) 5.879 6.144 ( 0.000 0.000 -9.665) 9.665 6.306 ( 0.000 0.000 2.789) 2.789 6.440 ( 0.000 0.000 -2.283) 2.283 6.554 ( 0.000 0.000 -10.097) 10.097 7.153 ( 0.000 0.000 -3.935) 3.935 7.154 ( 0.000 0.000 1.967) 1.967 7.204 ( 0.000 0.000 -7.536) 7.536 7.227 ( 0.000 0.000 5.568) 5.568 7.519 ( 0.000 0.000 9.517) 9.517 7.794 ( 0.000 0.000 0.815) 0.815 7.856 ( 0.000 0.000 1.083) 1.083 7.903 ( 0.000 0.000 -2.382) 2.382 8.169 ( 0.000 0.000 -3.636) 3.636 8.279 ( 0.000 0.000 -8.759) 8.759 8.712 ( 0.000 0.000 10.605) 10.605 8.862 ( 0.000 0.000 6.970) 6.970 9.148 ( 0.000 0.000 3.510) 3.510 9.215 ( 0.000 0.000 0.048) 0.048 9.280 ( 0.000 0.000 -4.635) 4.635 9.328 ( 0.000 0.000 -8.976) 8.976 9.713 ( 0.000 0.000 11.131) 11.131 9.919 ( 0.000 0.000 -0.795) 0.795 10.227 ( 0.000 0.000 0.076) 0.076 10.568 ( 0.000 0.000 -7.800) 7.800 10.788 ( 0.000 0.000 4.412) 4.412 11.031 ( 0.000 0.000 9.261) 9.261 11.052 ( 0.000 0.000 -9.505) 9.505 11.226 ( 0.000 0.000 4.371) 4.371 12.533 ( 0.000 0.000 12.111) 12.111 12.594 ( 0.000 0.000 -16.533) 16.533 12.688 ( 0.000 0.000 12.055) 12.055 12.690 ( 0.000 0.000 -18.761) 18.761 13.134 ( 0.000 0.000 -3.288) 3.288 13.301 ( 0.000 0.000 -2.878) 2.878 13.965 ( 0.000 0.000 2.515) 2.515 14.032 ( 0.000 0.000 -3.489) 3.489 14.174 ( 0.000 0.000 9.349) 9.349 14.381 ( 0.000 0.000 -2.989) 2.989 14.464 ( 0.000 0.000 13.266) 13.266 15.066 ( 0.000 0.000 -13.824) 13.824 15.135 ( 0.000 0.000 1.838) 1.838 15.436 ( 0.000 0.000 -11.204) 11.204 18.392 ( 0.000 0.000 2.643) 2.643 18.489 ( 0.000 0.000 -1.881) 1.881 19.187 ( 0.000 0.000 7.802) 7.802 19.314 ( 0.000 0.000 1.820) 1.820 20.498 ( 0.000 0.000 15.071) 15.071 20.876 ( 0.000 0.000 12.349) 12.349 20.909 ( 0.000 0.000 -3.978) 3.978 21.385 ( 0.000 0.000 -11.043) 11.043 22.683 ( 0.000 0.000 -4.569) 4.569 22.788 ( 0.000 0.000 -9.627) 9.627 22.902 ( 0.000 0.000 5.236) 5.236 23.124 ( 0.000 0.000 -4.923) 4.923 26.878 ( 0.000 0.000 1.362) 1.362 26.963 ( 0.000 0.000 -2.425) 2.425 27.292 ( 0.000 0.000 -0.000) 0.000 27.302 ( 0.000 0.000 -0.554) 0.554 28.382 ( 0.000 0.000 14.655) 14.655 29.070 ( 0.000 0.000 -17.603) 17.603 29.470 ( 0.000 0.000 7.206) 7.206 29.645 ( 0.000 0.000 3.289) 3.289 29.772 ( 0.000 0.000 0.559) 0.559 29.812 ( 0.000 0.000 -1.108) 1.108 29.904 ( 0.000 0.000 0.714) 0.714 30.154 ( 0.000 0.000 -6.756) 6.756 30.756 ( 0.000 0.000 1.242) 1.242 30.824 ( 0.000 0.000 -1.826) 1.826 31.031 ( 0.000 0.000 10.407) 10.407 31.319 ( 0.000 0.000 -3.573) 3.573 31.344 ( 0.000 0.000 0.245) 0.245 31.427 ( 0.000 0.000 -3.560) 3.560 31.437 ( 0.000 0.000 1.973) 1.973 31.573 ( 0.000 0.000 -4.354) 4.354 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 11.942 0.000 21.024) 24.179 1.483 ( -17.211 0.000 42.267) 45.636 1.913 ( -0.509 0.000 -12.738) 12.748 2.221 ( -2.896 0.000 15.214) 15.487 2.266 ( -22.790 0.000 -15.523) 27.574 2.589 ( 15.236 0.000 3.231) 15.575 2.628 ( -8.895 0.000 -21.705) 23.457 2.707 ( 8.869 0.000 1.436) 8.985 2.993 ( 7.378 0.000 1.361) 7.502 3.091 ( 17.114 0.000 6.225) 18.211 3.355 ( 3.135 0.000 6.830) 7.515 3.537 ( 7.666 0.000 -10.116) 12.692 3.553 ( 9.333 0.000 -11.749) 15.005 3.755 ( -5.632 0.000 4.165) 7.005 3.841 ( 2.653 0.000 -1.488) 3.041 4.036 ( 12.083 0.000 -8.553) 14.803 4.041 ( 7.991 0.000 -7.267) 10.801 4.319 ( 4.107 0.000 8.876) 9.780 4.471 ( 5.244 0.000 -11.537) 12.673 4.648 ( -1.310 0.000 -5.658) 5.807 4.741 ( 6.565 0.000 0.081) 6.566 4.983 ( -4.559 0.000 3.518) 5.759 5.067 ( 6.802 0.000 -9.269) 11.498 5.102 ( -3.549 0.000 -0.980) 3.682 5.150 ( -6.235 0.000 5.011) 8.000 5.348 ( -5.980 0.000 9.628) 11.334 5.368 ( -0.293 0.000 0.095) 0.308 5.625 ( 4.953 0.000 1.636) 5.216 5.714 ( -1.437 0.000 -7.006) 7.152 5.714 ( -4.171 0.000 7.444) 8.533 5.790 ( -9.432 0.000 4.122) 10.294 5.895 ( 3.427 0.000 2.701) 4.364 6.026 ( 3.081 0.000 -0.099) 3.082 6.170 ( 3.349 0.000 2.698) 4.301 6.196 ( -8.044 0.000 6.277) 10.204 6.299 ( 2.943 0.000 -2.744) 4.024 6.484 ( 3.590 0.000 -7.346) 8.176 6.606 ( 4.584 0.000 -8.884) 9.997 6.999 ( -15.996 0.000 1.156) 16.038 7.088 ( -13.593 0.000 4.754) 14.401 7.131 ( -1.368 0.000 -1.520) 2.045 7.259 ( 5.117 0.000 -5.628) 7.607 7.440 ( -6.245 0.000 0.730) 6.287 7.631 ( -11.512 0.000 -3.647) 12.076 7.830 ( 4.083 0.000 7.631) 8.654 8.120 ( 11.943 0.000 -6.057) 13.392 8.130 ( 2.363 0.000 6.460) 6.879 8.401 ( 5.055 0.000 -3.917) 6.395 8.582 ( -7.542 0.000 9.386) 12.040 8.897 ( -3.643 0.000 -3.319) 4.928 8.898 ( -18.488 0.000 0.968) 18.514 8.991 ( -13.274 0.000 -1.397) 13.347 9.226 ( 5.088 0.000 3.818) 6.361 9.554 ( 13.332 0.000 -9.956) 16.639 9.727 ( -6.319 0.000 16.367) 17.544 10.107 ( 9.582 0.000 7.504) 12.171 10.337 ( 18.398 0.000 -4.043) 18.837 10.560 ( -4.241 0.000 -16.575) 17.109 10.763 ( -2.189 0.000 5.027) 5.482 11.002 ( -3.808 0.000 -5.734) 6.883 11.228 ( 8.425 0.000 3.993) 9.324 11.273 ( 11.905 0.000 3.945) 12.542 12.042 ( -26.903 0.000 17.927) 32.329 12.512 ( -0.825 0.000 -7.346) 7.392 12.637 ( -19.634 0.000 -10.213) 22.131 12.881 ( 11.973 0.000 -18.796) 22.286 12.981 ( 1.266 0.000 13.928) 13.985 13.596 ( 3.083 0.000 -11.840) 12.235 13.943 ( 3.351 0.000 0.707) 3.425 14.051 ( 3.620 0.000 2.834) 4.597 14.145 ( -2.034 0.000 9.278) 9.498 14.379 ( 0.442 0.000 0.719) 0.843 14.611 ( 11.272 0.000 6.083) 12.808 15.079 ( 1.649 0.000 -11.418) 11.537 15.140 ( -1.107 0.000 0.929) 1.445 15.432 ( -1.617 0.000 -10.527) 10.651 18.421 ( 4.098 0.000 4.989) 6.457 18.606 ( 9.598 0.000 -3.472) 10.206 19.072 ( -9.600 0.000 8.683) 12.944 19.279 ( -4.261 0.000 0.113) 4.263 20.417 ( -4.386 0.000 16.697) 17.264 20.753 ( -10.299 0.000 13.938) 17.330 21.068 ( 11.327 0.000 -9.763) 14.954 21.363 ( -1.135 0.000 -14.450) 14.494 22.553 ( -6.089 0.000 2.644) 6.639 22.827 ( -6.744 0.000 10.412) 12.405 22.932 ( 7.760 0.000 -11.867) 14.179 23.117 ( -0.144 0.000 -4.522) 4.524 26.906 ( 2.690 0.000 2.432) 3.626 27.013 ( 4.410 0.000 -2.444) 5.042 27.209 ( -5.088 0.000 4.777) 6.979 27.311 ( -1.343 0.000 -1.339) 1.897 28.495 ( 9.507 0.000 13.153) 16.229 29.076 ( 3.061 0.000 -11.973) 12.358 29.331 ( -11.140 0.000 8.447) 13.981 29.616 ( -4.264 0.000 -0.451) 4.288 29.697 ( -0.937 0.000 3.714) 3.831 29.859 ( -3.612 0.000 2.362) 4.315 30.023 ( 10.002 0.000 -12.337) 15.882 30.170 ( 1.233 0.000 -7.289) 7.393 30.771 ( 2.181 0.000 2.851) 3.590 30.898 ( 5.692 0.000 -3.194) 6.527 31.011 ( -1.912 0.000 8.355) 8.571 31.270 ( -4.346 0.000 -3.317) 5.467 31.347 ( 0.293 0.000 0.825) 0.876 31.419 ( -1.248 0.000 2.224) 2.550 31.448 ( 1.916 0.000 -4.071) 4.499 31.577 ( -0.233 0.000 -5.163) 5.168 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 2.503 0.000 18.055) 18.227 1.547 ( 6.557 0.000 10.185) 12.113 1.625 ( -9.847 0.000 -5.370) 11.216 1.995 ( -17.382 0.000 16.299) 23.828 2.097 ( 6.701 0.000 -11.356) 13.185 2.353 ( -16.424 0.000 -15.554) 22.620 2.665 ( 8.567 0.000 -21.073) 22.747 2.859 ( -6.139 0.000 -16.659) 17.754 3.320 ( 12.189 0.000 6.080) 13.621 3.363 ( 6.646 0.000 7.220) 9.813 3.523 ( 7.911 0.000 5.822) 9.823 3.614 ( -0.747 0.000 -0.746) 1.056 3.777 ( 5.820 0.000 2.566) 6.361 3.843 ( -1.147 0.000 2.799) 3.025 3.918 ( 23.662 0.000 13.470) 27.227 4.195 ( 11.991 0.000 -2.703) 12.292 4.241 ( -2.945 0.000 6.691) 7.311 4.449 ( 0.548 0.000 -0.237) 0.597 4.573 ( 1.326 0.000 -10.102) 10.189 4.623 ( 7.226 0.000 -7.263) 10.246 4.794 ( -2.619 0.000 -2.463) 3.595 4.871 ( -4.289 0.000 3.031) 5.252 4.974 ( -7.747 0.000 -5.940) 9.762 4.994 ( -6.527 0.000 -2.868) 7.129 5.275 ( 7.420 0.000 -4.950) 8.920 5.297 ( -0.614 0.000 1.083) 1.245 5.430 ( 5.452 0.000 -4.738) 7.223 5.476 ( -4.829 0.000 -4.556) 6.639 5.579 ( -1.907 0.000 0.829) 2.080 5.720 ( 5.754 0.000 -1.144) 5.867 5.733 ( -6.891 0.000 11.319) 13.251 5.956 ( -12.579 0.000 7.230) 14.509 6.053 ( 9.680 0.000 4.405) 10.635 6.161 ( 6.130 0.000 -0.733) 6.174 6.277 ( -4.853 0.000 -0.814) 4.920 6.318 ( 12.332 0.000 -0.462) 12.341 6.415 ( -21.722 0.000 1.802) 21.796 6.562 ( -10.359 0.000 -7.225) 12.629 6.713 ( 4.472 0.000 -12.082) 12.883 6.813 ( -8.319 0.000 -10.253) 13.203 7.128 ( 2.324 0.000 5.217) 5.711 7.260 ( -9.215 0.000 4.096) 10.084 7.391 ( 6.057 0.000 -3.393) 6.943 7.491 ( -3.849 0.000 -1.758) 4.232 8.031 ( 13.679 0.000 10.376) 17.169 8.200 ( 1.953 0.000 12.759) 12.908 8.314 ( 4.500 0.000 2.094) 4.963 8.411 ( -7.047 0.000 4.589) 8.410 8.471 ( -0.430 0.000 2.989) 3.020 8.597 ( -9.410 0.000 -3.625) 10.084 8.717 ( -6.501 0.000 -5.742) 8.674 8.762 ( -6.491 0.000 -8.156) 10.424 9.395 ( 8.078 0.000 10.052) 12.895 9.554 ( -7.660 0.000 15.279) 17.091 9.873 ( 16.420 0.000 -13.649) 21.352 10.188 ( -10.046 0.000 -9.185) 13.612 10.569 ( 11.320 0.000 -0.568) 11.334 10.663 ( 10.017 0.000 -1.285) 10.099 10.710 ( -2.917 0.000 5.344) 6.088 10.888 ( -8.457 0.000 -2.431) 8.799 11.339 ( 6.361 0.000 3.891) 7.457 11.563 ( -16.810 0.000 12.081) 20.701 11.682 ( 22.017 0.000 -9.100) 23.823 12.171 ( -23.280 0.000 -12.913) 26.621 12.626 ( 10.924 0.000 5.789) 12.363 12.881 ( -10.499 0.000 10.785) 15.051 13.151 ( 13.320 0.000 -14.399) 19.615 13.431 ( -12.580 0.000 -10.468) 16.365 14.029 ( 3.390 0.000 6.676) 7.487 14.096 ( -2.762 0.000 8.556) 8.991 14.233 ( 9.552 0.000 -4.178) 10.426 14.366 ( -2.813 0.000 -2.621) 3.845 14.865 ( 11.339 0.000 2.069) 11.526 15.057 ( -6.635 0.000 1.379) 6.777 15.160 ( 6.484 0.000 -6.365) 9.087 15.329 ( -7.796 0.000 -6.947) 10.443 18.577 ( 10.254 0.000 8.010) 13.012 18.827 ( -12.583 0.000 9.443) 15.732 18.856 ( 13.123 0.000 -4.451) 13.857 19.118 ( -10.688 0.000 -3.019) 11.106 20.391 ( 2.502 0.000 18.460) 18.628 20.524 ( -9.606 0.000 17.234) 19.730 21.277 ( 6.913 0.000 -20.446) 21.583 21.349 ( -0.871 0.000 -21.398) 21.416 22.504 ( 2.348 0.000 13.620) 13.821 22.643 ( -9.331 0.000 15.873) 18.413 23.065 ( 4.476 0.000 -11.108) 11.976 23.116 ( -0.636 0.000 -7.105) 7.133 26.987 ( 4.741 0.000 4.725) 6.694 27.097 ( -5.372 0.000 6.499) 8.432 27.129 ( 5.977 0.000 -2.124) 6.343 27.246 ( -4.628 0.000 -1.547) 4.879 28.746 ( 13.697 0.000 11.639) 17.974 29.052 ( -14.540 0.000 10.074) 17.689 29.228 ( 10.237 0.000 -8.331) 13.199 29.455 ( -10.157 0.000 -5.449) 11.526 29.714 ( 2.144 0.000 4.416) 4.909 29.778 ( -3.690 0.000 4.593) 5.892 30.163 ( 3.378 0.000 -13.646) 14.058 30.190 ( 0.255 0.000 -9.976) 9.979 30.847 ( 4.644 0.000 4.353) 6.365 30.946 ( -4.202 0.000 5.635) 7.029 31.030 ( 6.372 0.000 -4.119) 7.587 31.159 ( -5.744 0.000 -3.692) 6.828 31.360 ( 1.022 0.000 1.953) 2.204 31.389 ( -1.535 0.000 2.473) 2.910 31.500 ( 2.691 0.000 -5.026) 5.700 31.552 ( -2.043 0.000 -5.596) 5.957 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.11 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.000 22.433 18.513) 29.086 1.779 ( 0.000 1.611 26.424) 26.473 2.046 ( 0.000 11.406 -4.127) 12.130 2.109 ( 0.000 1.789 26.236) 26.297 2.397 ( 0.000 9.133 10.297) 13.763 2.528 ( 0.000 0.720 -3.258) 3.337 2.724 ( 0.000 1.674 -8.517) 8.680 2.802 ( 0.000 8.004 -0.513) 8.020 3.084 ( 0.000 7.777 -2.968) 8.324 3.122 ( 0.000 3.425 -17.152) 17.490 3.157 ( 0.000 6.827 -0.795) 6.873 3.508 ( 0.000 6.405 -12.868) 14.374 3.545 ( 0.000 -1.630 -13.911) 14.006 3.674 ( 0.000 1.804 -6.059) 6.322 3.810 ( 0.000 2.518 -2.551) 3.584 3.946 ( 0.000 0.312 -5.777) 5.785 4.062 ( 0.000 3.981 3.050) 5.015 4.230 ( 0.000 -1.825 8.145) 8.347 4.410 ( 0.000 3.192 1.610) 3.575 4.650 ( 0.000 -0.708 -6.513) 6.551 4.794 ( 0.000 3.570 -6.042) 7.018 4.914 ( 0.000 2.313 -5.335) 5.815 5.016 ( 0.000 -1.901 2.998) 3.550 5.120 ( 0.000 -4.189 -2.340) 4.798 5.318 ( 0.000 -2.985 7.352) 7.935 5.336 ( 0.000 5.440 0.642) 5.478 5.500 ( 0.000 0.067 4.584) 4.585 5.532 ( 0.000 3.768 11.178) 11.796 5.638 ( 0.000 -2.469 15.953) 16.143 5.671 ( 0.000 -2.265 -9.552) 9.817 5.857 ( 0.000 -2.563 3.706) 4.506 6.027 ( 0.000 -1.890 9.211) 9.403 6.034 ( 0.000 -1.929 -1.888) 2.699 6.097 ( 0.000 -0.364 -6.077) 6.088 6.181 ( 0.000 1.722 -8.879) 9.044 6.342 ( 0.000 3.467 -1.317) 3.709 6.408 ( 0.000 -2.600 -2.897) 3.893 6.552 ( 0.000 -0.514 -8.830) 8.845 7.030 ( 0.000 -8.890 0.941) 8.940 7.106 ( 0.000 -3.462 -0.189) 3.467 7.237 ( 0.000 2.046 -7.205) 7.490 7.263 ( 0.000 1.033 0.038) 1.034 7.524 ( 0.000 0.277 9.509) 9.513 7.772 ( 0.000 -2.936 -3.730) 4.747 7.856 ( 0.000 0.983 6.215) 6.292 7.908 ( 0.000 0.379 -1.834) 1.873 8.191 ( 0.000 1.855 -2.926) 3.464 8.274 ( 0.000 -0.862 -7.221) 7.272 8.676 ( 0.000 -3.304 10.069) 10.597 8.811 ( 0.000 -4.682 5.900) 7.532 9.116 ( 0.000 -2.456 2.541) 3.534 9.179 ( 0.000 -2.187 -1.158) 2.475 9.276 ( 0.000 -0.941 -3.578) 3.700 9.367 ( 0.000 2.633 -8.551) 8.947 9.700 ( 0.000 -1.405 11.217) 11.305 9.933 ( 0.000 0.844 -1.585) 1.796 10.227 ( 0.000 0.037 0.173) 0.177 10.563 ( 0.000 -0.472 -7.976) 7.990 10.791 ( 0.000 0.245 4.194) 4.201 10.983 ( 0.000 -2.308 -0.537) 2.370 11.112 ( 0.000 3.214 1.400) 3.506 11.237 ( 0.000 0.925 4.657) 4.748 12.537 ( 0.000 0.327 10.709) 10.714 12.586 ( 0.000 -1.486 -11.831) 11.924 12.635 ( 0.000 -4.784 12.524) 13.407 12.707 ( 0.000 1.643 -17.321) 17.399 13.073 ( 0.000 -4.712 -2.687) 5.424 13.281 ( 0.000 -1.877 -4.205) 4.605 13.965 ( 0.000 0.101 3.134) 3.136 14.011 ( 0.000 -1.826 -2.930) 3.452 14.176 ( 0.000 0.016 8.705) 8.705 14.370 ( 0.000 -1.083 -2.810) 3.011 14.458 ( 0.000 -0.570 13.380) 13.392 14.975 ( 0.000 -12.588 8.368) 15.115 15.063 ( 0.000 -0.214 -13.983) 13.985 15.417 ( 0.000 -1.784 -12.840) 12.963 18.384 ( 0.000 -0.742 2.799) 2.896 18.484 ( 0.000 -0.154 -1.927) 1.933 19.180 ( 0.000 -0.692 8.011) 8.041 19.306 ( 0.000 -0.976 1.968) 2.197 20.478 ( 0.000 -1.924 14.818) 14.943 20.869 ( 0.000 -0.667 12.504) 12.522 20.911 ( 0.000 -0.131 -5.807) 5.808 21.384 ( 0.000 -0.077 -11.113) 11.114 22.685 ( 0.000 0.221 -4.455) 4.460 22.748 ( 0.000 -4.043 -2.062) 4.539 22.869 ( 0.000 -2.095 1.241) 2.435 23.104 ( 0.000 -1.892 -5.274) 5.603 26.879 ( 0.000 0.036 1.416) 1.417 26.965 ( 0.000 0.187 -2.453) 2.460 27.292 ( 0.000 -0.017 -0.020) 0.026 27.298 ( 0.000 -0.366 -0.331) 0.493 28.359 ( 0.000 -3.718 16.171) 16.593 29.030 ( 0.000 -43.003 28.745) 51.725 29.050 ( 0.000 -2.315 -16.800) 16.959 29.452 ( 0.000 -2.190 5.498) 5.918 29.661 ( 0.000 -7.797 -4.573) 9.039 29.666 ( 0.000 0.264 5.872) 5.878 29.890 ( 0.000 -2.464 -2.002) 3.174 30.141 ( 0.000 -1.385 -7.775) 7.898 30.860 ( 0.000 8.121 4.868) 9.468 31.046 ( 0.000 -0.046 7.281) 7.281 31.068 ( 0.000 0.507 -2.486) 2.537 31.283 ( 0.000 0.393 1.924) 1.963 31.284 ( 0.000 5.992 -9.589) 11.307 31.442 ( 0.000 5.650 -3.754) 6.783 31.570 ( 0.000 8.277 5.787) 10.099 32.033 ( 0.000 28.533 -20.354) 35.048 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.20 0.11 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -0.780 12.087 24.420) 27.259 1.637 ( -3.126 16.987 24.906) 30.309 2.019 ( -2.037 10.030 -9.227) 13.780 2.233 ( -20.231 -1.618 -11.948) 23.552 2.391 ( -1.089 12.920 8.298) 15.394 2.576 ( 7.236 2.046 -9.760) 12.320 2.644 ( 12.194 -0.725 4.993) 13.197 2.824 ( -0.579 12.038 -6.510) 13.698 3.043 ( 7.560 6.153 4.510) 10.741 3.214 ( 8.966 8.939 -0.812) 12.687 3.386 ( 7.475 2.606 9.494) 12.361 3.541 ( 9.513 1.817 -12.009) 15.428 3.626 ( 5.221 3.912 -5.920) 8.810 3.723 ( -0.930 1.123 -0.947) 1.738 3.882 ( 0.430 2.237 -2.621) 3.473 3.988 ( 8.799 -1.460 -7.187) 11.454 4.075 ( 8.779 1.424 -4.411) 9.928 4.303 ( 5.050 -0.843 6.997) 8.670 4.502 ( 5.333 2.149 -6.888) 8.972 4.630 ( -1.913 -1.169 -5.830) 6.246 4.761 ( 1.998 1.784 -1.162) 2.920 4.933 ( -5.014 -4.230 2.048) 6.872 5.028 ( 2.314 -3.633 -3.034) 5.269 5.121 ( -0.878 0.322 0.491) 1.056 5.225 ( -6.252 5.357 -2.171) 8.515 5.291 ( -3.480 -1.392 5.643) 6.774 5.435 ( -4.165 2.474 2.652) 5.522 5.579 ( 2.987 -4.216 2.461) 5.723 5.669 ( 2.352 -1.704 2.288) 3.698 5.729 ( -5.203 0.913 3.163) 6.157 5.831 ( -3.569 0.883 3.890) 5.353 5.877 ( 1.123 -0.113 -1.411) 1.807 5.999 ( 1.539 -2.111 0.693) 2.703 6.121 ( -0.491 -3.157 0.581) 3.247 6.239 ( -3.492 0.573 5.481) 6.524 6.328 ( 1.347 2.808 -5.691) 6.488 6.475 ( 4.879 -0.456 -7.107) 8.633 6.583 ( 3.501 -2.198 -8.521) 9.471 6.888 ( -13.134 -8.486 1.568) 15.716 7.053 ( -7.361 -1.869 0.385) 7.604 7.194 ( -6.556 3.216 0.023) 7.303 7.275 ( 2.372 1.060 -5.249) 5.857 7.433 ( -4.784 -0.822 1.374) 5.045 7.650 ( -10.278 1.533 -3.449) 10.949 7.830 ( 2.914 -0.001 6.863) 7.456 8.045 ( 7.222 -3.759 2.233) 8.443 8.177 ( 4.430 0.969 -1.186) 4.687 8.374 ( 3.937 -2.509 -2.315) 5.211 8.561 ( -6.644 -2.209 8.323) 10.876 8.809 ( -9.377 -5.445 -1.398) 10.933 8.923 ( -10.797 -0.369 -0.257) 10.807 8.956 ( -11.841 -2.673 -0.280) 12.142 9.235 ( 2.688 0.255 2.421) 3.626 9.549 ( 12.016 -0.371 -9.752) 15.480 9.730 ( -5.781 0.021 15.788) 16.813 10.111 ( 9.817 0.286 6.722) 11.902 10.338 ( 17.825 -0.056 -4.232) 18.321 10.553 ( -4.025 -0.603 -16.556) 17.049 10.771 ( -1.830 0.699 4.664) 5.059 10.975 ( -2.779 -2.079 -4.153) 5.412 11.257 ( 9.017 1.955 3.269) 9.789 11.290 ( 10.125 1.770 4.577) 11.252 12.030 ( -25.795 -1.143 17.855) 31.393 12.510 ( -1.500 -0.176 -7.300) 7.455 12.633 ( -19.422 -0.401 -10.104) 21.897 12.877 ( 10.799 -0.556 -15.665) 19.035 12.961 ( 4.041 -1.576 11.260) 12.067 13.570 ( 5.118 -2.528 -11.641) 12.965 13.928 ( 2.600 -1.530 1.848) 3.537 14.034 ( 2.706 -1.107 4.446) 5.322 14.151 ( -1.443 0.387 8.697) 8.825 14.379 ( 0.759 -0.201 1.349) 1.561 14.596 ( 11.013 -1.464 5.986) 12.620 15.020 ( 1.814 -8.595 1.374) 8.892 15.082 ( 2.018 -1.672 -8.666) 9.054 15.394 ( -2.642 -2.864 -11.268) 11.923 18.405 ( 3.449 -1.247 5.244) 6.399 18.593 ( 9.034 -1.027 -3.300) 9.672 19.060 ( -9.949 -1.140 8.871) 13.378 19.271 ( -4.283 -0.886 0.176) 4.377 20.403 ( -4.172 -1.390 16.194) 16.781 20.741 ( -10.297 -1.069 14.167) 17.546 21.059 ( 10.473 -1.018 -10.786) 15.068 21.362 ( -1.398 -0.132 -14.510) 14.578 22.554 ( -5.839 0.116 2.929) 6.534 22.783 ( -3.436 -3.569 10.375) 11.497 22.937 ( 6.406 0.188 -10.898) 12.643 23.103 ( 0.403 -1.376 -4.705) 4.919 26.906 ( 2.624 -0.023 2.452) 3.591 27.014 ( 4.312 0.067 -2.471) 4.970 27.204 ( -5.142 -0.451 5.004) 7.189 27.309 ( -1.370 -0.127 -1.390) 1.956 28.494 ( 10.692 -0.542 13.076) 16.900 28.956 ( 3.701 -16.406 2.762) 17.043 29.331 ( -9.466 -0.483 6.653) 11.580 29.353 ( 13.490 -21.727 0.273) 25.576 29.604 ( -3.748 -4.522 2.353) 6.327 29.707 ( 2.231 -7.373 -5.034) 9.202 29.857 ( -1.679 -3.323 -0.017) 3.723 30.160 ( 0.623 -2.631 -8.511) 8.930 30.883 ( 1.244 6.067 4.159) 7.460 30.976 ( -2.843 1.997 4.761) 5.894 31.065 ( -1.953 -1.724 1.673) 3.096 31.228 ( -1.771 -1.001 -4.009) 4.496 31.376 ( 3.066 7.793 -4.136) 9.340 31.411 ( -0.925 5.988 -2.656) 6.615 31.568 ( -0.357 8.936 4.428) 9.979 31.977 ( -4.390 24.874 -16.152) 29.982 ======================= Grid point 97 (36/60) ======================= q-point: ( 0.40 0.11 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 2.125 7.415 16.088) 17.841 1.630 ( -20.349 4.174 -5.250) 21.426 1.799 ( 13.241 18.455 10.640) 25.082 2.138 ( -2.588 11.630 -6.249) 13.453 2.262 ( -2.949 16.667 5.897) 17.924 2.467 ( -14.980 9.494 -13.701) 22.410 2.690 ( 4.886 3.993 -18.739) 19.773 2.911 ( -0.745 4.282 -6.110) 7.498 3.347 ( 8.405 2.868 6.044) 10.742 3.435 ( 6.550 6.252 2.906) 9.510 3.556 ( 7.229 3.186 5.851) 9.831 3.636 ( 0.225 1.695 -0.333) 1.742 3.780 ( 6.485 0.914 -1.123) 6.645 3.859 ( 6.460 1.898 5.327) 8.586 3.953 ( 15.616 3.198 8.158) 17.907 4.182 ( 8.779 -0.661 -1.306) 8.900 4.243 ( -1.930 -0.018 4.820) 5.192 4.435 ( 4.608 -1.056 0.273) 4.735 4.546 ( -0.981 -1.616 -7.348) 7.588 4.640 ( 5.666 0.972 -4.230) 7.137 4.757 ( -2.197 -2.722 -4.617) 5.792 4.858 ( -1.758 -1.733 0.773) 2.587 4.980 ( -8.305 -0.691 -0.083) 8.334 4.999 ( -6.684 1.229 -7.702) 10.272 5.207 ( 4.629 -4.368 -3.752) 7.388 5.303 ( 0.421 -1.848 2.039) 2.784 5.398 ( 3.459 -2.070 -6.975) 8.056 5.511 ( -7.540 1.304 -3.003) 8.220 5.568 ( 0.695 -0.012 2.832) 2.916 5.722 ( 1.390 0.213 3.849) 4.098 5.771 ( -5.199 2.759 4.647) 7.500 5.954 ( -6.668 -0.418 2.604) 7.171 6.023 ( 7.969 -2.354 5.419) 9.920 6.125 ( 3.909 -2.729 1.258) 4.930 6.243 ( 0.170 -1.562 -2.235) 2.732 6.351 ( 3.073 0.692 0.863) 3.266 6.402 ( -15.015 -1.399 -1.693) 15.175 6.581 ( -9.161 1.701 -6.173) 11.177 6.684 ( 4.358 -2.355 -12.701) 13.633 6.783 ( -8.853 -2.847 -8.611) 12.674 7.142 ( 1.669 1.687 4.930) 5.471 7.256 ( -5.552 -0.521 4.141) 6.946 7.395 ( 1.124 0.196 -0.616) 1.296 7.523 ( -2.043 2.603 -4.642) 5.701 8.011 ( 12.888 -1.822 9.556) 16.148 8.144 ( 2.205 -4.537 12.078) 13.089 8.303 ( 4.083 -2.421 0.144) 4.749 8.347 ( -6.740 -4.444 3.792) 8.920 8.477 ( -2.351 -0.762 5.384) 5.925 8.590 ( -7.533 -1.077 -3.193) 8.252 8.656 ( -7.259 -2.942 -5.961) 9.843 8.802 ( -4.784 1.191 -7.196) 8.722 9.361 ( 6.350 -2.653 10.943) 12.927 9.556 ( -6.785 -0.285 14.627) 16.126 9.857 ( 15.715 -1.422 -13.428) 20.719 10.174 ( -10.482 -1.362 -9.131) 13.968 10.577 ( 12.188 0.645 -0.648) 12.222 10.661 ( 8.584 0.032 -0.919) 8.633 10.730 ( -1.524 1.739 4.494) 5.054 10.881 ( -7.853 -0.686 -2.072) 8.151 11.356 ( 5.055 1.578 4.133) 6.718 11.570 ( -13.428 0.699 10.694) 17.180 11.688 ( 19.613 0.492 -7.939) 21.165 12.164 ( -23.046 -0.659 -12.639) 26.292 12.619 ( 10.472 -0.588 5.796) 11.983 12.872 ( -9.882 -0.822 10.689) 14.581 13.153 ( 13.109 0.204 -14.710) 19.704 13.429 ( -12.157 -0.211 -10.958) 16.368 14.027 ( 3.722 -0.240 7.409) 8.295 14.092 ( -1.783 -0.445 8.804) 8.993 14.204 ( 7.271 -2.213 -2.213) 7.916 14.378 ( -1.340 0.527 -0.944) 1.722 14.838 ( 9.537 -2.624 1.482) 10.002 15.018 ( -2.199 -3.396 0.561) 4.085 15.141 ( 4.621 -2.071 -5.967) 7.826 15.286 ( -7.270 -3.598 -7.319) 10.925 18.550 ( 9.993 -2.269 8.400) 13.251 18.793 ( -7.096 -2.668 7.440) 10.622 18.847 ( 6.934 -1.102 -2.029) 7.309 19.109 ( -10.576 -0.973 -3.265) 11.111 20.379 ( 2.565 -1.129 18.147) 18.362 20.513 ( -9.565 -1.014 17.288) 19.784 21.256 ( 6.772 -1.973 -20.294) 21.485 21.337 ( -1.527 -1.172 -21.215) 21.302 22.501 ( 1.112 -0.035 12.952) 12.999 22.652 ( -6.896 0.533 15.717) 17.171 23.048 ( 3.108 -1.256 -10.968) 11.469 23.123 ( 0.859 0.190 -7.135) 7.189 26.985 ( 4.598 -0.221 4.714) 6.589 27.092 ( -5.154 -0.391 6.454) 8.269 27.128 ( 5.812 -0.085 -2.132) 6.192 27.244 ( -4.624 -0.177 -1.620) 4.903 28.755 ( 13.596 0.823 11.332) 17.719 29.050 ( -12.108 -0.689 9.298) 15.282 29.156 ( 9.575 -7.943 -1.594) 12.543 29.423 ( -9.372 -4.673 -2.555) 10.780 29.545 ( 1.494 -9.659 0.022) 9.774 29.787 ( 1.187 -3.123 -0.232) 3.349 29.898 ( 7.163 -14.990 -8.548) 18.684 30.124 ( -4.013 -8.123 -9.185) 12.902 30.876 ( -0.310 2.037 6.852) 7.155 30.959 ( -1.576 0.528 5.900) 6.129 31.054 ( 2.954 -0.470 -1.548) 3.368 31.174 ( -3.628 -0.373 -3.399) 4.986 31.349 ( -1.183 3.476 -0.183) 3.677 31.484 ( 3.495 12.506 -6.873) 14.692 31.551 ( -1.219 9.605 3.606) 10.332 31.893 ( -2.630 18.925 -10.347) 21.729 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.22 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.000 13.437 15.607) 20.595 1.861 ( 0.000 6.066 20.121) 21.016 2.248 ( 0.000 11.479 4.793) 12.439 2.281 ( 0.000 10.068 -8.275) 13.032 2.537 ( 0.000 3.126 -0.408) 3.153 2.606 ( 0.000 5.334 -5.477) 7.645 2.821 ( 0.000 10.666 -7.807) 13.218 2.850 ( 0.000 -0.225 -7.615) 7.618 3.246 ( 0.000 6.242 -7.219) 9.544 3.256 ( 0.000 8.249 0.479) 8.263 3.373 ( 0.000 13.779 10.908) 17.574 3.553 ( 0.000 -1.105 -2.780) 2.992 3.587 ( 0.000 5.159 -9.982) 11.236 3.792 ( 0.000 10.296 -7.930) 12.995 3.921 ( 0.000 9.309 -2.127) 9.549 4.010 ( 0.000 5.413 -3.430) 6.408 4.157 ( 0.000 5.267 4.659) 7.032 4.233 ( 0.000 2.479 5.524) 6.055 4.467 ( 0.000 2.825 2.097) 3.518 4.630 ( 0.000 -0.901 -6.331) 6.395 4.827 ( 0.000 -2.392 1.423) 2.784 4.956 ( 0.000 -4.814 3.759) 6.107 5.004 ( 0.000 -0.560 -5.889) 5.916 5.016 ( 0.000 3.758 -0.908) 3.866 5.262 ( 0.000 -2.979 5.543) 6.292 5.380 ( 0.000 -0.428 2.630) 2.665 5.521 ( 0.000 0.375 -4.162) 4.178 5.552 ( 0.000 -3.054 -2.974) 4.263 5.581 ( 0.000 -2.886 13.811) 14.109 5.654 ( 0.000 1.692 5.276) 5.541 5.808 ( 0.000 -2.552 4.087) 4.819 5.975 ( 0.000 -3.646 -3.546) 5.086 5.984 ( 0.000 -2.594 7.877) 8.293 6.071 ( 0.000 -2.431 -6.534) 6.972 6.203 ( 0.000 1.309 -7.953) 8.060 6.360 ( 0.000 -2.124 -3.870) 4.415 6.407 ( 0.000 1.919 -7.709) 7.944 6.529 ( 0.000 -1.600 -6.247) 6.449 6.850 ( 0.000 -8.390 2.028) 8.631 7.033 ( 0.000 -3.598 0.085) 3.599 7.267 ( 0.000 -0.123 -0.925) 0.933 7.271 ( 0.000 1.199 -8.848) 8.929 7.523 ( 0.000 -0.525 7.531) 7.550 7.690 ( 0.000 -4.421 -5.501) 7.057 7.896 ( 0.000 2.510 8.024) 8.407 7.911 ( 0.000 -0.281 -0.322) 0.427 8.222 ( 0.000 0.732 -0.834) 1.110 8.230 ( 0.000 -3.662 -2.914) 4.679 8.609 ( 0.000 -2.659 7.777) 8.219 8.697 ( 0.000 -6.385 3.555) 7.309 9.068 ( 0.000 -2.238 2.244) 3.169 9.153 ( 0.000 -0.414 -2.036) 2.077 9.238 ( 0.000 -2.593 -3.015) 3.977 9.409 ( 0.000 1.525 -10.072) 10.186 9.652 ( 0.000 -3.419 10.964) 11.485 9.933 ( 0.000 -1.083 -3.124) 3.306 10.228 ( 0.000 0.033 0.416) 0.418 10.546 ( 0.000 -1.275 -8.384) 8.480 10.795 ( 0.000 0.040 4.170) 4.170 10.948 ( 0.000 -1.160 -1.356) 1.784 11.160 ( 0.000 1.464 5.327) 5.525 11.258 ( 0.000 1.035 4.938) 5.045 12.461 ( 0.000 -8.144 21.061) 22.581 12.546 ( 0.000 0.641 8.416) 8.441 12.599 ( 0.000 -0.045 -12.858) 12.858 12.747 ( 0.000 2.146 -15.190) 15.341 12.998 ( 0.000 -2.450 -2.430) 3.451 13.234 ( 0.000 -2.584 -7.263) 7.709 13.973 ( 0.000 -1.767 -1.414) 2.263 13.974 ( 0.000 0.911 4.039) 4.141 14.168 ( 0.000 -0.877 7.095) 7.149 14.336 ( 0.000 -2.311 -2.519) 3.418 14.443 ( 0.000 -0.866 13.791) 13.818 14.758 ( 0.000 -8.023 12.016) 14.448 15.059 ( 0.000 -0.206 -14.351) 14.353 15.377 ( 0.000 -1.992 -15.912) 16.036 18.369 ( 0.000 -0.609 3.420) 3.474 18.493 ( 0.000 1.017 -2.561) 2.755 19.162 ( 0.000 -0.992 8.436) 8.494 19.275 ( 0.000 -1.952 2.774) 3.393 20.430 ( 0.000 -2.642 14.159) 14.403 20.853 ( 0.000 -0.886 12.877) 12.908 20.895 ( 0.000 -1.507 -7.927) 8.069 21.380 ( 0.000 -0.322 -11.149) 11.154 22.656 ( 0.000 -4.355 7.938) 9.054 22.691 ( 0.000 0.386 -4.094) 4.112 22.839 ( 0.000 -1.024 -5.108) 5.209 23.054 ( 0.000 -2.919 -6.018) 6.688 26.879 ( 0.000 0.002 1.520) 1.520 26.969 ( 0.000 0.169 -2.525) 2.531 27.288 ( 0.000 -0.612 0.465) 0.769 27.292 ( 0.000 -0.027 -0.054) 0.061 28.115 ( 0.000 -18.070 30.715) 35.637 28.581 ( 0.000 -4.775 22.561) 23.061 28.959 ( 0.000 -6.733 -15.673) 17.059 29.391 ( 0.000 -2.549 -4.617) 5.274 29.557 ( 0.000 -2.950 -3.432) 4.525 29.644 ( 0.000 -2.966 8.972) 9.449 29.859 ( 0.000 0.080 -5.463) 5.463 30.106 ( 0.000 -1.867 -9.271) 9.457 30.924 ( 0.000 -2.958 1.361) 3.256 30.957 ( 0.000 -6.803 -0.816) 6.852 31.103 ( 0.000 7.686 7.979) 11.079 31.387 ( 0.000 7.892 6.165) 10.015 31.437 ( 0.000 6.102 -6.576) 8.971 31.615 ( 0.000 11.003 -6.074) 12.568 31.721 ( 0.000 6.548 11.558) 13.284 32.452 ( 0.000 13.199 -24.648) 27.959 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.20 0.22 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -5.144 13.909 18.697) 23.864 2.002 ( 7.530 13.224 8.534) 17.448 2.147 ( -19.549 -1.620 -10.567) 22.281 2.294 ( 3.125 11.087 -7.569) 13.784 2.610 ( 4.680 9.901 -4.852) 11.978 2.667 ( 9.173 8.171 2.426) 12.522 2.801 ( 8.582 14.827 6.260) 18.240 3.085 ( 12.041 12.256 -2.733) 17.397 3.192 ( -3.755 7.488 3.528) 9.089 3.364 ( 3.920 5.177 -2.812) 7.077 3.450 ( 8.814 3.144 3.460) 9.977 3.583 ( 9.192 3.836 -4.011) 10.737 3.671 ( 2.102 2.597 -2.120) 3.957 3.874 ( 0.784 10.631 -2.677) 10.991 3.957 ( 5.353 5.709 -6.582) 10.226 4.009 ( 3.074 4.816 -5.807) 8.146 4.112 ( 5.146 2.505 1.494) 5.915 4.307 ( 4.332 1.403 5.555) 7.183 4.513 ( 2.641 -1.341 -0.909) 3.098 4.630 ( -0.796 1.453 -6.443) 6.653 4.792 ( -3.762 -1.431 -3.697) 5.466 4.832 ( -5.056 -4.141 2.587) 7.029 4.953 ( -0.779 -2.268 0.520) 2.454 5.114 ( -1.447 -0.540 2.455) 2.900 5.243 ( 0.822 -1.677 -2.502) 3.122 5.342 ( -10.347 2.864 -0.266) 10.739 5.420 ( -6.248 -3.738 -1.451) 7.424 5.517 ( 3.221 -0.947 7.522) 8.237 5.632 ( 3.101 -2.580 3.853) 5.579 5.747 ( 0.554 -0.306 4.657) 4.700 5.788 ( 2.138 -3.278 1.850) 4.328 5.906 ( -3.187 0.429 3.062) 4.441 5.975 ( 0.272 0.526 -1.292) 1.421 6.064 ( -2.065 -1.685 -5.806) 6.388 6.220 ( 1.075 -1.531 1.957) 2.707 6.341 ( -3.168 -1.759 -5.070) 6.232 6.465 ( 4.351 -2.051 -6.722) 8.266 6.541 ( 1.761 -1.139 -8.141) 8.407 6.726 ( -9.370 -7.222 0.269) 11.833 7.011 ( -4.752 -2.059 -1.767) 5.472 7.245 ( -4.420 1.749 -2.304) 5.283 7.288 ( 0.167 0.322 -3.031) 3.052 7.407 ( -5.092 -1.589 1.952) 5.680 7.675 ( -5.714 0.711 -3.909) 6.960 7.832 ( 0.567 0.344 6.236) 6.271 7.986 ( 4.249 -2.150 3.677) 6.016 8.156 ( 0.199 -3.027 -0.072) 3.035 8.313 ( 2.845 -3.444 -0.392) 4.484 8.503 ( -6.519 -3.301 5.602) 9.207 8.699 ( -5.478 -5.068 -0.583) 7.486 8.889 ( -10.972 -2.767 1.303) 11.390 8.908 ( -11.835 -2.289 -0.025) 12.054 9.223 ( 0.931 -1.365 1.205) 2.045 9.544 ( 10.130 -0.104 -10.231) 14.398 9.719 ( -4.813 -1.163 14.928) 15.728 10.116 ( 10.164 0.159 5.096) 11.371 10.323 ( 15.957 -1.652 -4.700) 16.716 10.540 ( -2.344 -0.595 -16.474) 16.650 10.786 ( -0.906 0.641 4.338) 4.478 10.940 ( -1.762 -1.227 -2.133) 3.027 11.287 ( 9.748 1.128 4.213) 10.679 11.330 ( 8.378 1.695 4.946) 9.875 12.005 ( -22.771 -1.104 17.199) 28.558 12.508 ( -3.251 0.050 -7.177) 7.879 12.620 ( -18.191 -0.962 -9.483) 20.537 12.852 ( 8.482 -1.698 -2.000) 8.879 12.942 ( 8.449 -0.232 -2.163) 8.725 13.507 ( 8.657 -3.370 -10.846) 14.281 13.889 ( -0.143 -2.035 5.146) 5.535 14.027 ( 2.363 0.485 5.756) 6.242 14.153 ( -0.526 -0.251 7.560) 7.582 14.361 ( 0.884 -1.727 3.595) 4.084 14.561 ( 10.437 -1.836 5.318) 11.856 14.841 ( 5.799 -7.514 5.884) 11.167 15.058 ( 0.224 -1.015 -11.660) 11.706 15.340 ( -3.719 -2.425 -14.036) 14.721 18.385 ( 2.563 -0.548 5.362) 5.968 18.578 ( 7.593 -0.267 -3.330) 8.296 19.030 ( -10.689 -1.696 9.393) 14.331 19.245 ( -4.217 -1.622 0.573) 4.554 20.366 ( -3.659 -2.190 15.331) 15.913 20.718 ( -10.474 -1.145 14.479) 17.907 21.026 ( 9.262 -2.213 -12.085) 15.386 21.357 ( -1.901 -0.390 -14.630) 14.758 22.559 ( -4.896 0.384 3.856) 6.244 22.712 ( -0.365 -3.242 10.773) 11.256 22.936 ( 5.838 -0.173 -10.596) 12.099 23.065 ( 1.503 -2.388 -5.194) 5.911 26.905 ( 2.482 -0.065 2.480) 3.509 27.015 ( 4.088 0.018 -2.540) 4.813 27.192 ( -5.238 -0.704 5.578) 7.684 27.306 ( -1.468 -0.206 -1.519) 2.122 28.368 ( 20.281 -15.516 19.744) 32.278 28.624 ( 5.262 -5.241 16.624) 18.207 29.112 ( 11.537 -7.931 -9.319) 16.818 29.327 ( -6.619 -0.330 2.925) 7.244 29.476 ( -4.545 -5.280 -2.469) 7.391 29.639 ( -2.201 -3.140 -0.964) 3.953 29.802 ( -4.002 -1.637 -4.287) 6.089 30.095 ( -2.546 -3.430 -9.940) 10.819 30.881 ( -2.020 -4.198 3.617) 5.898 30.986 ( 2.043 -2.403 -1.228) 3.385 31.090 ( -2.077 6.050 7.471) 9.835 31.267 ( -5.551 4.454 -0.680) 7.149 31.513 ( -0.256 7.003 -0.078) 7.008 31.627 ( 3.746 11.011 1.213) 11.694 31.750 ( 2.418 9.318 2.823) 10.032 32.365 ( -7.251 13.306 -20.687) 25.643 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.40 0.22 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -1.097 13.866 11.910) 18.312 1.755 ( -12.524 8.234 3.369) 15.362 2.192 ( 7.948 17.733 2.056) 19.541 2.355 ( 5.101 8.848 -15.255) 18.358 2.625 ( -12.155 12.750 -7.341) 19.083 2.732 ( 3.193 19.226 4.287) 19.955 2.849 ( 3.277 13.156 -2.071) 13.715 3.037 ( -6.251 8.884 1.793) 11.010 3.417 ( 5.404 3.571 6.573) 9.228 3.573 ( 7.855 6.619 -1.870) 10.441 3.622 ( 1.739 2.590 3.511) 4.697 3.668 ( 4.837 2.061 -3.030) 6.068 3.838 ( 7.195 4.316 -1.189) 8.474 3.922 ( 15.259 4.456 6.416) 17.142 4.041 ( 2.562 5.771 -0.842) 6.370 4.169 ( 4.886 -0.852 -0.500) 4.985 4.255 ( -2.292 1.808 0.925) 3.062 4.432 ( 7.306 0.911 1.104) 7.445 4.531 ( 2.234 0.494 -1.773) 2.895 4.638 ( -1.955 -1.050 5.436) 5.872 4.738 ( 1.552 1.204 -12.292) 12.448 4.811 ( 4.679 -2.177 -1.988) 5.530 4.938 ( -3.051 -3.445 2.300) 5.144 5.021 ( -7.958 0.091 -8.180) 11.413 5.114 ( -0.973 -4.730 -3.716) 6.093 5.244 ( -1.645 -2.948 2.937) 4.474 5.340 ( 0.118 -4.068 -4.225) 5.866 5.486 ( -8.715 -2.662 1.686) 9.267 5.595 ( -4.182 0.868 0.013) 4.271 5.697 ( -4.600 -3.213 6.885) 8.882 5.826 ( 0.218 2.691 -1.526) 3.101 5.934 ( 3.437 -0.396 0.747) 3.540 6.009 ( 4.668 0.505 1.958) 5.087 6.073 ( 3.864 -2.209 2.680) 5.195 6.216 ( -2.098 -1.386 -1.772) 3.076 6.309 ( -5.743 -3.413 -5.774) 8.830 6.387 ( -0.595 -0.875 0.850) 1.357 6.579 ( -3.751 -2.541 -6.225) 7.699 6.651 ( 1.632 -1.523 -13.428) 13.612 6.721 ( -13.165 -2.425 -5.466) 14.460 7.185 ( 1.338 1.661 4.229) 4.737 7.248 ( -3.470 0.562 6.137) 7.073 7.394 ( 1.078 -0.229 -0.879) 1.410 7.567 ( -3.193 1.450 -5.647) 6.647 7.967 ( 10.273 -2.488 8.233) 13.397 8.050 ( 1.659 -4.430 10.966) 11.943 8.192 ( 1.640 -6.636 -1.474) 6.993 8.291 ( -6.729 -2.165 3.101) 7.719 8.431 ( 0.749 -3.242 2.767) 4.327 8.545 ( -7.780 -3.192 0.802) 8.448 8.626 ( -5.748 -0.721 -4.863) 7.564 8.782 ( -3.917 -3.271 -6.436) 8.213 9.314 ( 5.892 -1.779 11.285) 12.854 9.533 ( -7.712 -1.827 14.908) 16.884 9.825 ( 14.309 -1.596 -13.022) 19.413 10.139 ( -11.155 -2.043 -9.278) 14.652 10.580 ( 14.657 -0.622 0.453) 14.677 10.674 ( 6.869 1.376 -2.220) 7.349 10.766 ( -0.654 1.503 3.756) 4.098 10.865 ( -7.159 -0.734 -1.221) 7.300 11.396 ( 4.306 2.211 4.298) 6.474 11.590 ( -8.362 1.330 8.446) 11.960 11.696 ( 15.554 0.305 -5.749) 16.585 12.147 ( -22.504 -0.906 -11.897) 25.472 12.606 ( 9.346 -0.617 5.764) 10.998 12.851 ( -8.550 -1.216 10.498) 13.594 13.159 ( 12.645 0.298 -15.501) 20.007 13.424 ( -11.060 -0.280 -12.177) 16.453 14.013 ( 5.537 -1.347 9.620) 11.181 14.083 ( 1.075 -0.129 8.626) 8.693 14.169 ( 2.825 -1.113 2.627) 4.015 14.361 ( -0.924 -2.617 4.843) 5.582 14.781 ( 7.019 -2.280 -1.537) 7.538 14.943 ( 4.168 -3.886 -1.057) 5.795 15.084 ( 2.594 -3.200 -6.183) 7.430 15.214 ( -7.711 -3.333 -9.474) 12.662 18.508 ( 9.073 -1.628 8.628) 12.626 18.742 ( -6.908 -2.155 7.997) 10.785 18.818 ( 5.678 -1.612 -2.072) 6.255 19.081 ( -10.532 -1.683 -3.454) 11.211 20.350 ( 2.868 -1.694 17.567) 17.880 20.488 ( -9.667 -1.368 17.284) 19.851 21.207 ( 6.801 -2.699 -20.155) 21.442 21.308 ( -2.949 -1.606 -20.838) 21.106 22.510 ( 0.280 0.898 12.075) 12.111 22.652 ( -3.901 -0.543 15.098) 15.603 23.026 ( 2.305 -0.820 -10.445) 10.728 23.114 ( 1.985 -1.155 -7.134) 7.495 26.980 ( 4.294 -0.307 4.653) 6.339 27.082 ( -4.822 -0.581 6.405) 8.038 27.125 ( 5.576 -0.226 -2.235) 6.011 27.239 ( -4.633 -0.326 -1.811) 4.985 28.771 ( 13.695 -0.281 10.289) 17.132 28.874 ( 19.087 -13.742 9.656) 25.424 29.064 ( -12.240 -1.087 8.710) 15.062 29.262 ( -11.943 -8.277 4.198) 15.125 29.436 ( 5.161 -4.368 -6.663) 9.493 29.643 ( 6.109 -6.241 -11.785) 14.668 29.735 ( -2.041 -5.306 -3.693) 6.779 29.958 ( -9.487 -7.131 -9.925) 15.471 30.888 ( 2.978 -0.327 6.515) 7.171 30.985 ( -4.864 2.367 5.778) 7.915 31.068 ( 3.567 0.855 -1.200) 3.859 31.167 ( -4.575 0.599 -3.052) 5.532 31.481 ( -1.088 9.056 4.275) 10.073 31.698 ( 1.499 7.711 9.134) 12.048 31.828 ( 4.037 15.590 -11.154) 19.590 32.205 ( -5.927 11.939 -13.204) 18.762 ======================= Grid point 105 (40/60) ======================= 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.000 7.646 2.000) 7.904 1.987 ( 0.000 5.617 3.904) 6.841 2.366 ( 0.000 -0.078 -7.799) 7.799 2.378 ( 0.000 -1.358 -4.624) 4.819 2.645 ( 0.000 7.761 -0.454) 7.775 2.678 ( 0.000 3.200 0.836) 3.308 2.984 ( 0.000 12.835 -6.224) 14.264 3.042 ( 0.000 7.801 -6.791) 10.343 3.334 ( 0.000 4.259 -0.925) 4.359 3.372 ( 0.000 4.154 -0.621) 4.201 3.538 ( 0.000 0.263 -2.881) 2.893 3.607 ( 0.000 5.901 -4.039) 7.151 3.758 ( 0.000 13.408 4.244) 14.064 4.014 ( 0.000 8.402 -2.238) 8.695 4.133 ( 0.000 8.023 0.876) 8.070 4.143 ( 0.000 10.741 -0.173) 10.742 4.265 ( 0.000 5.363 7.580) 9.285 4.309 ( 0.000 4.291 4.244) 6.035 4.532 ( 0.000 2.985 1.459) 3.322 4.620 ( 0.000 -0.382 -4.684) 4.700 4.750 ( 0.000 -3.159 2.991) 4.351 4.801 ( 0.000 -6.262 4.134) 7.504 5.021 ( 0.000 -1.353 0.172) 1.364 5.101 ( 0.000 1.766 -1.252) 2.165 5.202 ( 0.000 -1.836 3.742) 4.168 5.371 ( 0.000 -0.123 3.106) 3.108 5.462 ( 0.000 -4.651 -7.629) 8.935 5.481 ( 0.000 -4.534 -4.773) 6.583 5.552 ( 0.000 0.994 4.104) 4.223 5.697 ( 0.000 2.096 8.972) 9.214 5.738 ( 0.000 -4.239 2.699) 5.025 5.906 ( 0.000 -2.939 -4.260) 5.175 5.937 ( 0.000 -1.521 10.893) 10.998 6.013 ( 0.000 -2.962 -6.081) 6.764 6.242 ( 0.000 2.128 -6.404) 6.749 6.311 ( 0.000 -2.928 -1.725) 3.399 6.399 ( 0.000 -2.424 -11.862) 12.107 6.499 ( 0.000 -1.175 -6.065) 6.178 6.715 ( 0.000 -5.086 2.369) 5.611 6.976 ( 0.000 -1.870 2.739) 3.316 7.279 ( 0.000 1.689 1.310) 2.137 7.283 ( 0.000 0.171 -8.003) 8.005 7.502 ( 0.000 -1.450 4.668) 4.888 7.619 ( 0.000 -2.530 -4.664) 5.306 7.893 ( 0.000 -1.512 0.134) 1.518 7.945 ( 0.000 2.359 6.195) 6.629 8.139 ( 0.000 -4.989 1.399) 5.182 8.212 ( 0.000 -1.511 1.719) 2.289 8.567 ( 0.000 -6.378 1.669) 6.593 8.585 ( 0.000 0.141 3.440) 3.443 9.023 ( 0.000 -2.273 3.372) 4.067 9.153 ( 0.000 0.228 -2.326) 2.337 9.193 ( 0.000 -1.551 -3.686) 3.999 9.434 ( 0.000 1.070 -12.262) 12.308 9.573 ( 0.000 -4.102 10.545) 11.315 9.894 ( 0.000 -2.482 -4.537) 5.172 10.229 ( 0.000 0.012 0.598) 0.599 10.515 ( 0.000 -1.690 -8.444) 8.611 10.792 ( 0.000 -0.320 4.769) 4.780 10.936 ( 0.000 -0.158 -0.705) 0.722 11.172 ( 0.000 -0.065 7.469) 7.469 11.274 ( 0.000 0.518 4.670) 4.699 12.335 ( 0.000 -4.221 21.937) 22.339 12.561 ( 0.000 0.843 7.772) 7.817 12.604 ( 0.000 0.424 -13.038) 13.045 12.780 ( 0.000 0.988 -15.542) 15.573 12.967 ( 0.000 -1.017 -1.379) 1.714 13.191 ( 0.000 -1.503 -9.637) 9.754 13.948 ( 0.000 -0.737 0.438) 0.857 14.002 ( 0.000 1.750 4.951) 5.251 14.141 ( 0.000 -1.696 4.832) 5.121 14.286 ( 0.000 -2.450 -2.405) 3.433 14.426 ( 0.000 -0.787 14.364) 14.386 14.654 ( 0.000 -2.939 11.312) 11.687 15.056 ( 0.000 -0.040 -14.679) 14.679 15.343 ( 0.000 -1.294 -18.045) 18.091 18.361 ( 0.000 -0.183 4.334) 4.338 18.518 ( 0.000 1.371 -3.265) 3.541 19.143 ( 0.000 -0.794 8.763) 8.799 19.235 ( 0.000 -1.894 3.831) 4.274 20.382 ( 0.000 -2.022 13.399) 13.551 20.837 ( 0.000 -0.683 13.266) 13.284 20.859 ( 0.000 -1.791 -8.611) 8.796 21.373 ( 0.000 -0.340 -11.106) 11.111 22.589 ( 0.000 -2.393 10.887) 11.147 22.699 ( 0.000 0.392 -3.546) 3.568 22.823 ( 0.000 -0.603 -7.272) 7.297 22.997 ( 0.000 -2.613 -6.711) 7.202 26.879 ( 0.000 -0.044 1.582) 1.582 26.971 ( 0.000 0.045 -2.608) 2.608 27.276 ( 0.000 -0.561 1.781) 1.867 27.291 ( 0.000 -0.022 -0.064) 0.067 27.839 ( 0.000 -9.180 30.596) 31.944 28.569 ( 0.000 1.153 18.493) 18.529 28.818 ( 0.000 -6.463 -16.868) 18.064 29.376 ( 0.000 0.729 -7.101) 7.138 29.508 ( 0.000 -2.397 -4.505) 5.103 29.567 ( 0.000 -3.966 8.964) 9.802 29.880 ( 0.000 1.328 -5.800) 5.950 30.072 ( 0.000 -1.451 -9.267) 9.380 30.841 ( 0.000 -4.554 -0.562) 4.589 30.860 ( 0.000 -2.547 -2.132) 3.321 31.252 ( 0.000 6.245 9.768) 11.593 31.527 ( 0.000 3.192 -3.990) 5.110 31.541 ( 0.000 6.884 6.464) 9.443 31.824 ( 0.000 3.739 15.994) 16.426 31.835 ( 0.000 10.167 -7.635) 12.715 32.605 ( 0.000 3.489 -20.995) 21.283 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.20 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -4.445 5.709 0.581) 7.259 2.064 ( -0.220 4.026 2.589) 4.792 2.216 ( 0.035 3.644 3.241) 4.877 2.439 ( 2.525 3.283 -10.025) 10.847 2.809 ( 9.515 8.279 4.314) 13.330 2.928 ( 11.461 14.963 -0.368) 18.852 3.073 ( 13.684 11.190 -0.020) 17.677 3.227 ( 9.834 2.434 -2.701) 10.485 3.347 ( 0.917 7.299 -1.364) 7.482 3.411 ( 4.530 0.915 -2.438) 5.226 3.514 ( 1.691 4.258 -2.225) 5.093 3.693 ( 7.901 2.468 -7.069) 10.885 3.796 ( 2.905 12.134 8.405) 15.044 4.029 ( -0.775 5.566 2.141) 6.014 4.108 ( -1.181 7.335 -3.359) 8.153 4.154 ( 0.336 7.327 -5.701) 9.289 4.209 ( 3.141 7.581 4.077) 9.162 4.356 ( 3.301 3.097 3.004) 5.433 4.472 ( -2.013 -1.962 0.762) 2.912 4.649 ( -2.644 -2.498 -0.255) 3.646 4.702 ( -1.789 -3.141 1.214) 3.814 4.782 ( 2.116 -0.203 -4.589) 5.058 4.978 ( -8.847 2.827 -1.851) 9.471 5.099 ( -0.499 -1.629 2.353) 2.905 5.178 ( -2.152 -4.276 -3.669) 6.031 5.295 ( -7.591 -6.146 -7.598) 12.375 5.395 ( -4.711 0.786 7.518) 8.907 5.524 ( 1.543 0.871 6.113) 6.365 5.574 ( 2.819 -2.676 2.604) 4.678 5.675 ( 0.261 -5.013 4.190) 6.539 5.750 ( 1.772 -1.286 2.955) 3.678 5.888 ( -2.357 -1.437 6.793) 7.333 5.979 ( 3.526 -0.278 -0.095) 3.538 6.065 ( 1.143 -0.056 -5.791) 5.903 6.219 ( -0.419 2.166 -5.204) 5.653 6.292 ( -4.696 -2.387 -4.727) 7.078 6.397 ( 2.050 -3.740 -3.974) 5.830 6.516 ( 0.683 -1.771 -8.970) 9.169 6.604 ( -6.792 -5.203 -0.636) 8.579 6.979 ( -2.134 -1.202 -2.969) 3.849 7.259 ( -4.008 -0.208 -4.525) 6.048 7.305 ( -0.029 1.750 1.289) 2.173 7.380 ( -5.340 -0.829 1.797) 5.695 7.670 ( -1.585 -1.326 -4.850) 5.272 7.838 ( -0.934 -0.482 5.825) 5.919 7.962 ( 1.142 0.111 4.630) 4.770 8.077 ( -2.144 -4.061 2.213) 5.098 8.243 ( 1.938 -3.479 -0.129) 3.985 8.433 ( -7.001 -3.520 2.755) 8.306 8.632 ( -2.454 -1.351 -0.969) 2.964 8.812 ( -11.543 -4.686 2.890) 12.789 8.865 ( -14.506 -2.076 0.739) 14.673 9.195 ( 1.067 -1.198 0.634) 1.725 9.546 ( 8.979 0.234 -11.454) 14.556 9.688 ( -3.499 -1.722 14.133) 14.661 10.119 ( 10.291 0.155 3.573) 10.895 10.276 ( 13.231 -2.734 -4.911) 14.375 10.533 ( 1.189 -0.172 -16.099) 16.144 10.793 ( -0.084 0.018 4.635) 4.635 10.927 ( -1.299 -0.194 -0.897) 1.591 11.300 ( 8.479 0.158 5.374) 10.040 11.353 ( 9.701 0.721 5.252) 11.055 11.992 ( -19.712 -0.248 15.959) 25.364 12.514 ( -5.474 0.625 -6.995) 8.904 12.594 ( -14.933 -1.571 -8.082) 17.052 12.832 ( 6.652 0.022 4.635) 8.107 12.939 ( 8.983 -0.401 -10.311) 13.682 13.447 ( 10.423 -2.460 -10.202) 14.791 13.859 ( -2.535 -0.832 7.935) 8.372 14.047 ( 2.475 1.350 6.838) 7.396 14.141 ( 0.474 -0.858 5.586) 5.672 14.317 ( 0.241 -2.410 5.948) 6.422 14.531 ( 10.285 -1.103 4.109) 11.130 14.736 ( 6.309 -3.352 5.206) 8.839 15.042 ( -1.164 -0.576 -12.724) 12.790 15.300 ( -4.290 -1.558 -16.355) 16.980 18.381 ( 2.372 0.030 5.557) 6.042 18.583 ( 6.167 0.590 -3.627) 7.179 18.998 ( -11.287 -1.434 9.974) 15.131 19.212 ( -4.070 -1.465 1.068) 4.456 20.324 ( -3.210 -1.802 14.644) 15.100 20.699 ( -10.769 -0.720 14.814) 18.329 20.979 ( 8.698 -2.199 -12.696) 15.546 21.348 ( -2.369 -0.440 -14.710) 14.906 22.570 ( -3.443 0.748 5.166) 6.253 22.657 ( 0.467 -2.307 10.011) 10.284 22.934 ( 5.693 0.068 -10.227) 11.705 23.014 ( 2.340 -2.470 -5.755) 6.685 26.904 ( 2.364 -0.079 2.467) 3.418 27.015 ( 3.876 -0.059 -2.621) 4.679 27.178 ( -5.296 -0.608 6.197) 8.175 27.302 ( -1.636 -0.189 -1.664) 2.341 28.091 ( 20.945 -10.041 22.924) 32.634 28.609 ( 5.198 0.651 11.842) 12.949 28.974 ( 12.339 -5.388 -9.800) 16.653 29.309 ( -8.317 -1.699 5.144) 9.925 29.418 ( -5.199 -0.733 -3.150) 6.122 29.562 ( -1.266 -3.999 -4.065) 5.841 29.788 ( -7.386 -0.249 -5.858) 9.431 30.036 ( -4.767 -2.258 -10.201) 11.484 30.811 ( 0.621 -2.538 2.806) 3.834 30.934 ( 4.365 -2.051 -3.494) 5.956 31.205 ( -4.496 4.728 7.993) 10.318 31.357 ( -8.412 3.848 -0.290) 9.255 31.648 ( 2.417 6.111 3.199) 7.309 31.795 ( 0.557 5.781 13.401) 14.606 31.937 ( 6.532 8.873 -5.880) 12.489 32.532 ( -6.389 4.400 -18.663) 20.211 ======================= Grid point 107 (42/60) ======================= q-point: ( 0.40 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -0.351 8.955 7.279) 11.545 1.946 ( -5.766 10.607 13.315) 17.973 2.390 ( 6.974 2.953 -2.105) 7.861 2.492 ( 4.197 4.359 -11.320) 12.836 2.878 ( -4.106 13.686 2.142) 14.448 3.034 ( 3.452 12.204 0.360) 12.688 3.155 ( -1.429 12.690 -2.895) 13.094 3.291 ( -2.126 14.073 4.952) 15.070 3.464 ( 5.358 1.079 5.501) 7.755 3.653 ( 8.550 1.971 -3.257) 9.359 3.675 ( -0.092 2.859 -1.812) 3.386 3.718 ( 3.411 1.316 -7.115) 7.999 3.935 ( 5.017 6.453 5.920) 10.092 4.039 ( 10.175 6.529 4.395) 12.864 4.129 ( 0.917 1.081 1.247) 1.888 4.202 ( 2.992 6.264 -3.787) 7.908 4.313 ( -1.162 3.242 -4.541) 5.699 4.455 ( 6.562 1.912 1.172) 6.935 4.544 ( 2.223 -0.701 4.369) 4.952 4.648 ( 0.748 1.859 3.214) 3.788 4.750 ( 3.320 -0.092 -2.739) 4.305 4.811 ( 11.063 0.220 -4.533) 11.958 4.862 ( 0.237 -1.450 -3.254) 3.570 4.994 ( -8.221 -3.225 -10.111) 13.425 5.034 ( -3.695 -2.262 -1.160) 4.485 5.194 ( -1.815 -3.706 -2.299) 4.724 5.250 ( -9.867 -3.424 3.801) 11.114 5.431 ( -9.946 -2.490 3.595) 10.865 5.565 ( -5.089 -3.299 2.258) 6.472 5.622 ( -3.692 -3.791 3.478) 6.332 5.872 ( 0.621 1.769 -0.254) 1.892 5.943 ( 6.970 0.667 0.549) 7.024 5.995 ( 1.540 -2.058 0.203) 2.578 6.057 ( 4.537 0.218 0.941) 4.639 6.194 ( -2.374 -0.439 -1.406) 2.794 6.261 ( -1.826 -0.966 -8.793) 9.033 6.359 ( 0.991 -1.433 -0.995) 2.006 6.518 ( -1.914 -3.047 -7.134) 7.990 6.581 ( 1.578 -4.553 -10.398) 11.460 6.692 ( -18.760 -1.508 -7.029) 20.090 7.198 ( 1.422 0.537 4.254) 4.517 7.278 ( -1.692 1.359 7.560) 7.865 7.396 ( 3.572 0.712 -2.541) 4.441 7.578 ( -5.050 -0.357 -4.134) 6.536 7.905 ( 4.664 -3.609 8.351) 10.224 7.972 ( -0.172 -3.815 9.830) 10.545 8.100 ( 4.129 -1.510 -2.301) 4.962 8.249 ( -4.454 -2.115 -0.549) 4.962 8.365 ( 1.812 -3.098 2.273) 4.248 8.481 ( -8.206 -2.875 3.270) 9.290 8.607 ( -4.975 -1.245 -3.979) 6.491 8.686 ( -4.394 -5.573 -4.874) 8.609 9.290 ( 7.124 -0.766 10.874) 13.023 9.497 ( -9.615 -1.476 15.616) 18.398 9.799 ( 13.272 -1.000 -12.724) 18.413 10.097 ( -11.569 -1.990 -9.579) 15.151 10.559 ( 15.775 -1.209 2.091) 15.959 10.707 ( 7.200 1.648 -4.019) 8.409 10.781 ( -1.606 -0.038 3.641) 3.980 10.858 ( -6.312 -0.005 -0.461) 6.329 11.436 ( 6.151 1.625 4.115) 7.577 11.621 ( -6.497 1.676 7.196) 9.839 11.698 ( 13.177 -0.178 -3.895) 13.742 12.131 ( -21.992 -0.662 -10.922) 24.563 12.598 ( 8.392 -0.194 5.521) 10.047 12.827 ( -7.855 -1.107 10.359) 13.048 13.164 ( 12.421 0.229 -16.444) 20.609 13.418 ( -9.791 -0.302 -13.701) 16.843 13.981 ( 8.895 -1.453 13.078) 15.883 14.091 ( 1.218 0.853 9.012) 9.134 14.156 ( 0.399 -0.361 6.082) 6.106 14.284 ( -2.589 -4.371 10.211) 11.405 14.760 ( 7.338 0.024 -5.082) 8.926 14.871 ( 6.484 -3.132 -2.795) 7.724 15.028 ( 0.955 -2.258 -7.877) 8.250 15.158 ( -8.672 -2.194 -11.721) 14.745 18.488 ( 8.122 -0.419 8.452) 11.729 18.713 ( -9.217 -0.801 9.229) 13.068 18.790 ( 7.567 -1.061 -3.143) 8.262 19.048 ( -10.689 -1.514 -3.348) 11.303 20.317 ( 3.279 -1.421 17.094) 17.463 20.463 ( -9.972 -1.060 17.214) 19.922 21.157 ( 7.200 -2.167 -20.122) 21.481 21.278 ( -4.278 -1.324 -20.528) 21.011 22.533 ( 0.333 1.263 11.876) 11.947 22.634 ( -2.459 -1.172 14.173) 14.433 23.016 ( 2.237 -0.122 -9.227) 9.495 23.082 ( 2.399 -1.831 -7.491) 8.076 26.974 ( 4.056 -0.228 4.521) 6.078 27.071 ( -4.672 -0.499 6.383) 7.925 27.120 ( 5.451 -0.280 -2.404) 5.964 27.232 ( -4.671 -0.340 -2.030) 5.105 28.596 ( 23.936 -9.817 13.504) 29.183 28.810 ( 13.628 0.813 8.226) 15.939 29.015 ( -14.473 -4.048 8.411) 17.222 29.155 ( -13.631 -1.924 6.106) 15.060 29.334 ( 8.844 -5.194 -4.937) 11.382 29.585 ( 2.004 -1.083 -13.355) 13.548 29.632 ( -4.550 -4.327 -6.497) 9.036 29.857 ( -10.332 -3.252 -11.542) 15.829 30.890 ( 6.343 0.488 5.166) 8.195 31.025 ( 0.623 1.395 0.933) 1.790 31.084 ( -2.644 0.967 1.719) 3.299 31.192 ( -7.086 1.414 -2.042) 7.509 31.665 ( 0.145 8.620 8.142) 11.858 31.819 ( 0.813 4.306 12.112) 12.880 32.092 ( 6.897 10.521 -11.261) 16.884 32.373 ( -7.134 5.225 -13.366) 16.026 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 0.44 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 0.000 1.720 -15.676) 15.771 2.089 ( 0.000 6.049 -15.501) 16.640 2.278 ( 0.000 -6.007 2.306) 6.435 2.359 ( 0.000 -0.166 3.722) 3.725 2.732 ( 0.000 1.480 7.033) 7.187 2.779 ( 0.000 4.542 0.146) 4.544 3.082 ( 0.000 -1.381 -1.661) 2.159 3.235 ( 0.000 10.139 -8.062) 12.954 3.395 ( 0.000 -2.306 -1.350) 2.672 3.458 ( 0.000 6.315 -0.766) 6.361 3.543 ( 0.000 -0.776 -4.870) 4.931 3.684 ( 0.000 2.341 -6.906) 7.292 3.981 ( 0.000 6.436 3.833) 7.491 4.107 ( 0.000 2.467 3.095) 3.958 4.228 ( 0.000 0.038 0.008) 0.039 4.293 ( 0.000 4.400 -2.409) 5.017 4.350 ( 0.000 2.433 9.539) 9.844 4.451 ( 0.000 8.448 6.951) 10.940 4.558 ( 0.000 1.546 -0.059) 1.547 4.578 ( 0.000 -3.063 -0.119) 3.065 4.695 ( 0.000 -4.969 0.107) 4.971 4.787 ( 0.000 3.532 2.287) 4.208 4.956 ( 0.000 -3.766 7.857) 8.713 5.084 ( 0.000 -0.478 3.557) 3.589 5.197 ( 0.000 -0.276 -0.199) 0.340 5.332 ( 0.000 -3.411 -5.425) 6.408 5.400 ( 0.000 -1.471 -8.645) 8.769 5.446 ( 0.000 2.024 4.790) 5.200 5.542 ( 0.000 -3.173 -9.667) 10.174 5.694 ( 0.000 0.414 7.227) 7.239 5.741 ( 0.000 2.081 8.545) 8.795 5.858 ( 0.000 -1.872 -5.539) 5.846 5.927 ( 0.000 0.120 13.207) 13.207 5.967 ( 0.000 -1.399 -5.229) 5.413 6.259 ( 0.000 -1.686 2.818) 3.284 6.266 ( 0.000 0.149 -2.192) 2.197 6.345 ( 0.000 -1.836 -17.824) 17.918 6.486 ( 0.000 -0.253 -9.433) 9.437 6.646 ( 0.000 -1.840 4.179) 4.566 6.957 ( 0.000 -0.309 4.503) 4.514 7.286 ( 0.000 0.218 -6.711) 6.714 7.329 ( 0.000 2.495 5.637) 6.164 7.468 ( 0.000 -1.682 2.093) 2.685 7.584 ( 0.000 -1.061 -0.802) 1.330 7.862 ( 0.000 -1.099 -1.270) 1.679 7.993 ( 0.000 2.628 2.386) 3.549 8.053 ( 0.000 -3.457 3.158) 4.682 8.180 ( 0.000 -1.128 2.219) 2.490 8.463 ( 0.000 -3.323 1.353) 3.588 8.597 ( 0.000 0.549 0.294) 0.623 8.986 ( 0.000 -1.163 4.953) 5.088 9.156 ( 0.000 0.055 -2.167) 2.167 9.178 ( 0.000 -0.131 -4.884) 4.886 9.451 ( 0.000 0.579 -13.788) 13.800 9.508 ( 0.000 -1.921 10.780) 10.950 9.852 ( 0.000 -1.301 -5.277) 5.435 10.229 ( 0.000 -0.006 0.633) 0.633 10.489 ( 0.000 -0.750 -8.267) 8.301 10.786 ( 0.000 -0.205 5.377) 5.381 10.937 ( 0.000 0.106 -0.311) 0.328 11.167 ( 0.000 -0.232 7.953) 7.957 11.279 ( 0.000 0.079 4.248) 4.249 12.286 ( 0.000 -1.038 20.292) 20.318 12.576 ( 0.000 0.441 8.563) 8.575 12.612 ( 0.000 0.262 -12.583) 12.585 12.789 ( 0.000 0.054 -17.656) 17.656 12.953 ( 0.000 -0.354 -0.478) 0.595 13.175 ( 0.000 -0.306 -10.262) 10.266 13.940 ( 0.000 -0.101 1.755) 1.757 14.038 ( 0.000 1.557 7.255) 7.420 14.107 ( 0.000 -1.490 1.562) 2.158 14.249 ( 0.000 -1.054 -2.457) 2.674 14.414 ( 0.000 -0.330 14.719) 14.722 14.621 ( 0.000 -0.669 10.697) 10.718 15.056 ( 0.000 0.022 -14.836) 14.836 15.326 ( 0.000 -0.442 -18.919) 18.924 18.360 ( 0.000 -0.008 4.981) 4.981 18.540 ( 0.000 0.620 -3.715) 3.766 19.132 ( 0.000 -0.294 8.897) 8.902 19.207 ( 0.000 -0.785 4.552) 4.619 20.354 ( 0.000 -0.722 12.912) 12.932 20.827 ( 0.000 -0.253 13.494) 13.497 20.832 ( 0.000 -0.749 -8.660) 8.692 21.368 ( 0.000 -0.140 -11.078) 11.079 22.558 ( 0.000 -0.738 11.522) 11.545 22.706 ( 0.000 0.181 -3.067) 3.073 22.815 ( 0.000 -0.211 -7.984) 7.987 22.958 ( 0.000 -1.058 -7.160) 7.238 26.878 ( 0.000 -0.027 1.591) 1.592 26.971 ( 0.000 -0.006 -2.662) 2.662 27.268 ( 0.000 -0.220 2.841) 2.849 27.291 ( 0.000 -0.008 -0.052) 0.052 27.728 ( 0.000 -2.505 27.624) 27.738 28.592 ( 0.000 0.751 17.983) 17.999 28.727 ( 0.000 -2.385 -17.918) 18.076 29.404 ( 0.000 1.639 0.666) 1.769 29.461 ( 0.000 -2.078 -13.358) 13.518 29.508 ( 0.000 -1.643 8.549) 8.705 29.899 ( 0.000 0.473 -5.639) 5.659 30.051 ( 0.000 -0.586 -8.546) 8.566 30.781 ( 0.000 -1.505 -0.211) 1.520 30.828 ( 0.000 -0.698 -3.647) 3.713 31.336 ( 0.000 2.168 9.582) 9.824 31.569 ( 0.000 1.047 -3.218) 3.384 31.642 ( 0.000 2.822 6.666) 7.239 31.871 ( 0.000 1.045 18.084) 18.114 31.987 ( 0.000 4.281 -8.361) 9.393 32.633 ( 0.000 0.187 -18.212) 18.213 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.20 0.44 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -4.152 -1.353 -8.485) 9.543 2.217 ( 1.018 4.023 8.442) 9.407 2.279 ( 2.137 5.721 4.563) 7.624 2.428 ( 7.062 -3.785 -12.631) 14.958 2.932 ( 12.329 3.474 8.301) 15.264 3.128 ( 15.717 4.355 0.631) 16.321 3.200 ( 14.343 0.303 -2.957) 14.648 3.274 ( 7.182 5.285 -5.739) 10.604 3.407 ( 3.013 -1.845 -0.541) 3.574 3.488 ( 1.217 6.575 -2.905) 7.290 3.595 ( 4.001 1.567 -4.292) 6.073 3.712 ( 3.372 0.144 -6.126) 6.995 3.975 ( 2.780 3.876 4.971) 6.889 4.132 ( 2.381 3.548 2.429) 4.915 4.232 ( 0.342 3.711 -0.072) 3.727 4.268 ( -4.619 5.589 4.267) 8.414 4.334 ( 0.047 3.129 1.013) 3.289 4.379 ( -7.299 -0.134 1.347) 7.423 4.483 ( 0.754 1.999 2.497) 3.286 4.567 ( 0.145 -3.572 -1.921) 4.058 4.646 ( 0.007 -2.321 1.801) 2.938 4.853 ( 2.470 4.474 -4.471) 6.791 5.016 ( -6.218 0.436 -7.407) 9.681 5.026 ( -1.872 -3.852 4.635) 6.311 5.123 ( -7.628 -0.782 -6.931) 10.336 5.174 ( -6.089 -4.957 -3.736) 8.695 5.424 ( -2.145 1.885 6.815) 7.389 5.519 ( 9.676 -1.897 1.156) 9.927 5.538 ( -4.401 0.299 3.799) 5.821 5.592 ( 0.946 -3.091 6.815) 7.543 5.744 ( -11.030 0.419 11.264) 15.771 5.864 ( 5.472 -0.738 -0.704) 5.566 5.969 ( 4.768 -0.782 -0.313) 4.841 6.052 ( 3.332 -0.370 -0.774) 3.441 6.240 ( -3.227 -0.813 -0.862) 3.438 6.294 ( -0.052 1.638 -7.393) 7.572 6.348 ( 1.964 -0.379 -12.083) 12.247 6.486 ( -0.547 -0.748 -7.825) 7.880 6.514 ( -7.467 -3.482 2.385) 8.578 6.961 ( -1.415 -0.541 -3.791) 4.083 7.252 ( -4.934 -0.257 -3.354) 5.972 7.350 ( -2.902 2.089 4.285) 5.581 7.378 ( -2.148 0.320 0.267) 2.188 7.632 ( -0.047 -1.850 -3.218) 3.712 7.805 ( -1.566 -1.710 3.950) 4.580 7.975 ( -2.730 0.117 9.103) 9.505 8.030 ( 1.084 -0.189 -2.726) 2.940 8.182 ( 0.399 -2.151 -0.471) 2.238 8.380 ( -4.733 -1.405 2.766) 5.660 8.633 ( -0.570 0.809 -3.252) 3.399 8.729 ( -15.029 -2.843 4.725) 16.009 8.828 ( -16.246 -1.230 1.548) 16.366 9.179 ( 1.461 -0.395 0.522) 1.601 9.551 ( 8.501 0.231 -13.043) 15.571 9.661 ( -2.573 -0.839 14.216) 14.472 10.121 ( 10.586 0.049 2.383) 10.851 10.232 ( 11.345 -1.269 -4.409) 12.237 10.531 ( 3.750 -0.004 -15.750) 16.190 10.790 ( 0.197 -0.122 5.056) 5.061 10.927 ( -1.161 0.061 -0.445) 1.245 11.298 ( 7.773 -0.188 6.197) 9.942 11.362 ( 10.852 0.241 4.967) 11.937 11.991 ( -18.165 0.062 15.168) 23.665 12.533 ( -7.322 1.222 -6.783) 10.056 12.562 ( -11.886 -1.605 -7.131) 13.953 12.846 ( 4.063 0.858 9.607) 10.467 12.924 ( 9.564 -0.779 -16.830) 19.373 13.414 ( 10.684 -0.853 -10.005) 14.662 13.852 ( -3.524 -0.056 9.400) 10.039 14.068 ( 2.338 0.451 8.734) 9.053 14.130 ( 1.283 -0.097 3.096) 3.352 14.277 ( -0.296 -1.231 6.629) 6.749 14.516 ( 10.406 -0.400 3.539) 10.999 14.696 ( 5.999 -0.864 4.775) 7.715 15.034 ( -1.905 -0.169 -13.340) 13.476 15.279 ( -4.607 -0.538 -17.416) 18.023 18.383 ( 2.460 0.073 5.828) 6.327 18.594 ( 5.461 0.409 -3.983) 6.771 18.977 ( -11.578 -0.571 10.393) 15.569 19.191 ( -3.968 -0.576 1.373) 4.238 20.299 ( -2.998 -0.666 14.284) 14.610 20.689 ( -11.016 -0.227 15.153) 18.735 20.947 ( 8.592 -0.899 -12.992) 15.602 21.341 ( -2.667 -0.192 -14.750) 14.991 22.589 ( -2.403 1.147 6.139) 6.692 22.618 ( 0.395 -1.635 9.111) 9.265 22.940 ( 6.124 0.507 -9.986) 11.725 22.973 ( 2.258 -1.466 -5.962) 6.542 26.903 ( 2.312 -0.035 2.433) 3.357 27.014 ( 3.762 -0.040 -2.679) 4.618 27.170 ( -5.325 -0.233 6.565) 8.456 27.299 ( -1.781 -0.076 -1.755) 2.502 27.966 ( 19.988 -2.903 21.897) 29.790 28.618 ( 5.006 0.171 8.072) 9.500 28.907 ( 13.770 -1.509 -7.814) 15.904 29.274 ( -11.692 -1.187 8.197) 14.329 29.427 ( -6.062 0.981 3.275) 6.959 29.496 ( 1.593 -2.273 -14.309) 14.576 29.783 ( -9.515 -0.210 -5.902) 11.199 30.007 ( -5.513 -0.731 -9.701) 11.182 30.780 ( 2.444 -0.715 2.505) 3.572 30.909 ( 5.531 -0.555 -4.413) 7.097 31.269 ( -6.010 1.618 7.549) 9.784 31.409 ( -9.606 1.353 -0.597) 9.720 31.738 ( 4.255 2.560 5.459) 7.380 31.866 ( -0.139 1.618 16.792) 16.870 32.071 ( 6.868 3.829 -8.277) 11.417 32.575 ( -5.233 0.625 -16.694) 17.507 ======================= Grid point 112 (45/60) ======================= q-point: ( 0.40 0.44 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 7.168 2.303 9.115) 11.822 2.120 ( -8.343 5.210 15.652) 18.486 2.417 ( 7.541 0.760 0.791) 7.620 2.518 ( 0.232 -0.530 -7.065) 7.089 3.111 ( 5.073 7.985 4.575) 10.509 3.210 ( -3.041 4.682 -3.950) 6.839 3.341 ( 4.868 3.383 2.003) 6.257 3.416 ( 3.254 1.523 0.511) 3.629 3.516 ( 1.137 4.779 -1.507) 5.138 3.636 ( 2.716 -4.272 -7.875) 9.362 3.717 ( 5.888 0.241 -1.863) 6.181 3.760 ( -0.233 3.602 -3.473) 5.009 4.054 ( -4.626 4.660 3.137) 7.277 4.099 ( -2.986 0.348 4.108) 5.091 4.246 ( 16.451 6.604 7.744) 19.345 4.277 ( 4.369 0.597 -1.930) 4.814 4.383 ( 2.935 4.806 -3.492) 6.626 4.492 ( 1.845 -2.822 8.055) 8.732 4.519 ( 6.165 1.868 -7.288) 9.727 4.651 ( 1.909 -1.307 -1.857) 2.967 4.744 ( 8.227 -1.659 1.328) 8.497 4.803 ( -4.503 2.343 2.664) 5.733 4.865 ( -1.972 -2.045 -6.171) 6.794 4.952 ( 5.547 0.109 -9.506) 11.007 5.025 ( -1.964 1.135 -5.136) 5.615 5.086 ( -0.213 -5.010 -8.286) 9.685 5.221 ( -19.988 -0.546 10.801) 22.726 5.401 ( -10.233 -0.505 4.952) 11.380 5.508 ( -2.419 -1.833 5.362) 6.161 5.556 ( -3.482 -2.125 -0.317) 4.092 5.901 ( 4.477 1.348 3.583) 5.891 5.943 ( 0.030 -0.947 0.371) 1.018 5.957 ( 3.382 -1.277 -0.729) 3.688 6.054 ( 2.513 -0.110 2.168) 3.321 6.190 ( 1.187 -0.402 -4.450) 4.623 6.269 ( -0.142 0.924 -6.553) 6.619 6.354 ( -0.198 1.092 -7.151) 7.236 6.462 ( -1.628 -2.511 -4.892) 5.735 6.506 ( 1.555 -2.154 -10.759) 11.082 6.659 ( -21.122 -1.261 -9.106) 23.036 7.215 ( 3.069 0.853 4.391) 5.424 7.288 ( -1.890 -0.120 7.697) 7.927 7.421 ( 4.572 1.315 -2.712) 5.476 7.558 ( -5.732 -1.178 -2.571) 6.391 7.846 ( 2.977 -1.791 7.381) 8.158 7.907 ( -2.844 -2.024 10.233) 10.812 8.120 ( 5.869 2.276 -4.285) 7.615 8.201 ( 0.325 -2.596 -2.551) 3.654 8.327 ( 0.065 -0.518 3.106) 3.150 8.435 ( -10.666 -1.568 5.293) 12.010 8.582 ( -4.132 -0.824 -3.331) 5.371 8.598 ( -4.580 -2.613 -4.350) 6.836 9.280 ( 7.676 -0.281 10.788) 13.243 9.478 ( -10.356 -0.425 15.708) 18.819 9.786 ( 12.914 -0.319 -12.707) 18.121 10.066 ( -11.814 -0.881 -9.641) 15.274 10.540 ( 16.180 -0.510 3.065) 16.476 10.733 ( 8.011 0.790 -5.077) 9.517 10.773 ( -3.113 -0.427 3.812) 4.940 10.860 ( -5.592 0.131 0.045) 5.594 11.457 ( 8.139 0.531 3.990) 9.080 11.651 ( -9.503 1.122 7.645) 12.248 11.690 ( 15.393 -0.478 -3.702) 15.839 12.122 ( -21.745 -0.225 -10.196) 24.017 12.597 ( 8.233 0.039 5.167) 9.720 12.811 ( -8.236 -0.468 10.351) 13.236 13.167 ( 12.631 0.080 -17.150) 21.299 13.413 ( -8.970 -0.163 -14.788) 17.296 13.963 ( 10.973 -0.403 15.749) 19.199 14.109 ( 0.247 0.654 10.253) 10.277 14.152 ( 0.540 -0.017 6.953) 6.974 14.213 ( -4.887 -2.286 11.580) 12.775 14.770 ( 9.707 0.656 -6.490) 11.695 14.823 ( 5.362 -1.544 -3.705) 6.698 14.997 ( -0.075 -0.790 -9.353) 9.387 15.128 ( -9.201 -0.760 -12.907) 15.869 18.485 ( 7.666 -0.015 8.340) 11.328 18.705 ( -12.052 -0.086 10.438) 15.944 18.777 ( 10.499 -0.336 -4.381) 11.381 19.026 ( -10.946 -0.611 -3.176) 11.414 20.297 ( 3.531 -0.539 16.846) 17.221 20.448 ( -10.230 -0.391 17.171) 19.991 21.126 ( 7.567 -0.814 -20.109) 21.501 21.259 ( -5.038 -0.513 -20.365) 20.985 22.555 ( 0.767 0.801 12.138) 12.188 22.612 ( -2.244 -0.798 13.357) 13.568 23.021 ( 2.646 0.475 -7.396) 7.869 23.049 ( 2.198 -1.281 -8.667) 9.032 26.971 ( 3.967 -0.078 4.395) 5.921 27.064 ( -4.679 -0.194 6.380) 7.914 27.115 ( 5.418 -0.129 -2.525) 5.978 27.227 ( -4.711 -0.147 -2.172) 5.190 28.467 ( 25.107 -3.175 14.469) 29.151 28.822 ( 13.742 0.303 5.855) 14.941 28.945 ( -18.866 -2.088 9.626) 21.282 29.157 ( -13.486 1.109 6.020) 14.811 29.249 ( 12.574 -2.963 -3.895) 13.493 29.548 ( -11.499 -1.689 -5.440) 12.833 29.599 ( 6.844 -0.025 -15.504) 16.947 29.816 ( -11.034 -1.029 -12.086) 16.397 30.900 ( 8.312 0.351 4.295) 9.362 31.043 ( 6.573 0.450 -3.008) 7.243 31.101 ( -8.869 0.540 4.745) 10.073 31.213 ( -8.609 0.550 -1.619) 8.777 31.801 ( 1.601 4.471 9.779) 10.871 31.864 ( -0.115 0.300 13.074) 13.078 32.238 ( 8.261 3.955 -10.280) 13.768 32.431 ( -7.716 1.085 -13.193) 15.322 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.000 0.000 -21.387) 21.387 1.539 ( 0.000 0.000 21.387) 21.387 2.261 ( 0.000 0.000 -11.333) 11.333 2.261 ( 0.000 0.000 11.333) 11.333 2.648 ( 0.000 0.000 -1.763) 1.763 2.648 ( 0.000 0.000 1.763) 1.763 2.654 ( 0.000 0.000 -11.174) 11.174 2.654 ( 0.000 0.000 11.174) 11.174 2.863 ( 0.000 0.000 -0.944) 0.944 2.863 ( 0.000 0.000 0.944) 0.944 3.120 ( 0.000 0.000 -8.764) 8.764 3.120 ( 0.000 0.000 8.764) 8.764 3.480 ( 0.000 0.000 -11.055) 11.055 3.480 ( 0.000 0.000 11.055) 11.055 3.848 ( 0.000 0.000 -4.701) 4.701 3.848 ( 0.000 0.000 4.701) 4.701 4.170 ( 0.000 0.000 -12.397) 12.397 4.170 ( 0.000 0.000 12.397) 12.397 4.488 ( 0.000 0.000 -10.232) 10.232 4.488 ( 0.000 0.000 10.232) 10.232 4.752 ( 0.000 0.000 -5.906) 5.906 4.752 ( 0.000 0.000 5.906) 5.906 5.082 ( 0.000 0.000 -2.128) 2.128 5.082 ( 0.000 0.000 2.128) 2.128 5.379 ( 0.000 0.000 -4.483) 4.483 5.379 ( 0.000 0.000 4.483) 4.483 5.568 ( 0.000 0.000 -1.598) 1.598 5.568 ( 0.000 0.000 1.598) 1.598 5.799 ( 0.000 0.000 -14.770) 14.770 5.799 ( 0.000 0.000 14.770) 14.770 5.965 ( 0.000 0.000 -6.905) 6.905 5.965 ( 0.000 0.000 6.905) 6.905 5.988 ( 0.000 0.000 -5.473) 5.473 5.988 ( 0.000 0.000 5.473) 5.473 6.307 ( 0.000 0.000 -13.519) 13.519 6.307 ( 0.000 0.000 13.519) 13.519 6.380 ( 0.000 0.000 -2.832) 2.832 6.380 ( 0.000 0.000 2.832) 2.832 7.115 ( 0.000 0.000 -0.868) 0.868 7.115 ( 0.000 0.000 0.868) 0.868 7.242 ( 0.000 0.000 -4.161) 4.161 7.242 ( 0.000 0.000 4.161) 4.161 7.713 ( 0.000 0.000 -8.639) 8.639 7.713 ( 0.000 0.000 8.639) 8.639 7.877 ( 0.000 0.000 -0.821) 0.821 7.877 ( 0.000 0.000 0.821) 0.821 8.155 ( 0.000 0.000 -2.768) 2.768 8.155 ( 0.000 0.000 2.768) 2.768 8.890 ( 0.000 0.000 -5.371) 5.371 8.890 ( 0.000 0.000 5.371) 5.371 9.199 ( 0.000 0.000 -1.639) 1.639 9.199 ( 0.000 0.000 1.639) 1.639 9.220 ( 0.000 0.000 -0.086) 0.086 9.220 ( 0.000 0.000 0.086) 0.086 9.884 ( 0.000 0.000 -4.338) 4.338 9.884 ( 0.000 0.000 4.338) 4.338 10.333 ( 0.000 0.000 -11.188) 11.188 10.333 ( 0.000 0.000 11.188) 11.188 10.895 ( 0.000 0.000 -6.459) 6.459 10.895 ( 0.000 0.000 6.459) 6.459 11.230 ( 0.000 0.000 -5.914) 5.914 11.230 ( 0.000 0.000 5.914) 5.914 12.436 ( 0.000 0.000 -3.101) 3.101 12.436 ( 0.000 0.000 3.101) 3.101 12.734 ( 0.000 0.000 -6.566) 6.566 12.734 ( 0.000 0.000 6.566) 6.566 13.192 ( 0.000 0.000 -7.275) 7.275 13.192 ( 0.000 0.000 7.275) 7.275 13.991 ( 0.000 0.000 -0.843) 0.843 13.991 ( 0.000 0.000 0.843) 0.843 14.309 ( 0.000 0.000 -4.639) 4.639 14.309 ( 0.000 0.000 4.639) 4.639 14.762 ( 0.000 0.000 -15.981) 15.981 14.762 ( 0.000 0.000 15.981) 15.981 15.235 ( 0.000 0.000 -8.159) 8.159 15.235 ( 0.000 0.000 8.159) 8.159 18.445 ( 0.000 0.000 -2.510) 2.510 18.445 ( 0.000 0.000 2.510) 2.510 19.302 ( 0.000 0.000 -3.323) 3.323 19.302 ( 0.000 0.000 3.323) 3.323 20.767 ( 0.000 0.000 -10.749) 10.749 20.767 ( 0.000 0.000 10.749) 10.749 21.138 ( 0.000 0.000 -13.336) 13.336 21.138 ( 0.000 0.000 13.336) 13.336 22.655 ( 0.000 0.000 -2.688) 2.688 22.655 ( 0.000 0.000 2.688) 2.688 23.014 ( 0.000 0.000 -5.823) 5.823 23.014 ( 0.000 0.000 5.823) 5.823 26.915 ( 0.000 0.000 -2.253) 2.253 26.915 ( 0.000 0.000 2.253) 2.253 27.294 ( 0.000 0.000 -0.213) 0.213 27.294 ( 0.000 0.000 0.213) 0.213 28.710 ( 0.000 0.000 -17.859) 17.859 28.710 ( 0.000 0.000 17.859) 17.859 29.609 ( 0.000 0.000 -5.821) 5.821 29.609 ( 0.000 0.000 5.821) 5.821 29.789 ( 0.000 0.000 -1.103) 1.103 29.789 ( 0.000 0.000 1.103) 1.103 30.002 ( 0.000 0.000 -7.766) 7.766 30.002 ( 0.000 0.000 7.766) 7.766 30.787 ( 0.000 0.000 -1.812) 1.812 30.787 ( 0.000 0.000 1.812) 1.812 31.212 ( 0.000 0.000 -7.392) 7.392 31.212 ( 0.000 0.000 7.392) 7.392 31.367 ( 0.000 0.000 -2.153) 2.153 31.367 ( 0.000 0.000 2.153) 2.153 31.491 ( 0.000 0.000 -3.552) 3.552 31.491 ( 0.000 0.000 3.552) 3.552 ======================= Grid point 137 (47/60) ======================= q-point: ( 0.20 0.00 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 3.755 0.000 -16.932) 17.343 1.598 ( 3.755 0.000 16.932) 17.343 2.251 ( -15.692 0.000 -12.661) 20.163 2.251 ( -15.692 0.000 12.661) 20.163 2.262 ( -19.197 0.000 -32.848) 38.047 2.262 ( -19.197 0.000 32.848) 38.047 2.509 ( 5.605 0.000 -12.121) 13.354 2.509 ( 5.605 0.000 12.121) 13.354 3.180 ( 9.412 0.000 -13.681) 16.606 3.180 ( 9.412 0.000 13.681) 16.606 3.291 ( 19.211 0.000 -12.832) 23.103 3.291 ( 19.211 0.000 12.832) 23.103 3.742 ( 12.913 0.000 -10.211) 16.462 3.742 ( 12.913 0.000 10.211) 16.462 3.887 ( 5.209 0.000 -5.427) 7.522 3.887 ( 5.209 0.000 5.427) 7.522 4.118 ( 2.561 0.000 -18.108) 18.288 4.118 ( 2.561 0.000 18.108) 18.288 4.501 ( 0.388 0.000 -8.771) 8.780 4.501 ( 0.388 0.000 8.771) 8.780 4.853 ( 6.941 0.000 -9.762) 11.978 4.853 ( 6.941 0.000 9.762) 11.978 5.053 ( -3.070 0.000 -3.397) 4.579 5.053 ( -3.070 0.000 3.397) 4.579 5.280 ( -6.911 0.000 -7.212) 9.989 5.280 ( -6.911 0.000 7.212) 9.989 5.573 ( -13.763 0.000 -11.353) 17.841 5.573 ( -13.763 0.000 11.353) 17.841 5.651 ( 3.380 0.000 -2.399) 4.145 5.651 ( 3.380 0.000 2.399) 4.145 5.967 ( 1.982 0.000 -4.007) 4.470 5.967 ( 1.982 0.000 4.007) 4.470 6.078 ( 3.201 0.000 -14.594) 14.941 6.078 ( 3.201 0.000 14.594) 14.941 6.351 ( -2.082 0.000 -6.269) 6.606 6.351 ( -2.082 0.000 6.269) 6.606 6.364 ( 3.917 0.000 -13.419) 13.979 6.364 ( 3.917 0.000 13.419) 13.979 7.094 ( -18.028 0.000 -5.446) 18.832 7.094 ( -18.028 0.000 5.446) 18.832 7.165 ( 4.210 0.000 -3.948) 5.772 7.165 ( 4.210 0.000 3.948) 5.772 7.504 ( -9.361 0.000 -6.932) 11.648 7.504 ( -9.361 0.000 6.932) 11.648 7.982 ( 9.324 0.000 -7.480) 11.953 7.982 ( 9.324 0.000 7.480) 11.953 8.283 ( 7.260 0.000 -7.569) 10.488 8.283 ( 7.260 0.000 7.569) 10.488 8.765 ( -8.519 0.000 -8.546) 12.067 8.765 ( -8.519 0.000 8.546) 12.067 8.945 ( -17.186 0.000 -2.914) 17.431 8.945 ( -17.186 0.000 2.914) 17.431 9.365 ( 10.575 0.000 -8.788) 13.749 9.365 ( 10.575 0.000 8.788) 13.749 10.086 ( 1.925 0.000 -16.602) 16.713 10.086 ( 1.925 0.000 16.602) 16.713 10.299 ( 7.817 0.000 -7.044) 10.523 10.299 ( 7.817 0.000 7.044) 10.523 10.876 ( -1.783 0.000 -6.264) 6.513 10.876 ( -1.783 0.000 6.264) 6.513 11.295 ( 5.539 0.000 -1.915) 5.861 11.295 ( 5.539 0.000 1.915) 5.861 12.382 ( -24.346 0.000 -15.302) 28.756 12.382 ( -24.346 0.000 15.302) 28.756 12.554 ( 10.629 0.000 -11.378) 15.570 12.554 ( 10.629 0.000 11.378) 15.570 13.291 ( 0.819 0.000 -16.554) 16.574 13.291 ( 0.819 0.000 16.554) 16.574 14.029 ( 4.227 0.000 -4.586) 6.237 14.029 ( 4.227 0.000 4.586) 6.237 14.305 ( -0.815 0.000 -6.501) 6.552 14.305 ( -0.815 0.000 6.501) 6.552 14.827 ( 5.962 0.000 -13.160) 14.448 14.827 ( 5.962 0.000 13.160) 14.448 15.233 ( -0.975 0.000 -8.264) 8.322 15.233 ( -0.975 0.000 8.264) 8.322 18.522 ( 7.190 0.000 -4.884) 8.692 18.522 ( 7.190 0.000 4.884) 8.692 19.221 ( -7.442 0.000 -5.707) 9.378 19.221 ( -7.442 0.000 5.707) 9.378 20.779 ( 1.176 0.000 -18.041) 18.080 20.779 ( 1.176 0.000 18.041) 18.080 21.055 ( -6.575 0.000 -15.915) 17.220 21.055 ( -6.575 0.000 15.915) 17.220 22.695 ( 3.663 0.000 -10.764) 11.370 22.695 ( 3.663 0.000 10.764) 11.370 23.000 ( -1.817 0.000 -7.244) 7.469 23.000 ( -1.817 0.000 7.244) 7.469 26.960 ( 4.063 0.000 -2.822) 4.947 26.960 ( 4.063 0.000 2.822) 4.947 27.275 ( -2.142 0.000 -2.353) 3.182 27.275 ( -2.142 0.000 2.353) 3.182 28.787 ( 7.177 0.000 -15.561) 17.136 28.787 ( 7.177 0.000 15.561) 17.136 29.506 ( -8.904 0.000 -8.434) 12.264 29.506 ( -8.904 0.000 8.434) 12.264 29.822 ( 2.813 0.000 -8.235) 8.702 29.822 ( 2.813 0.000 8.235) 8.702 29.998 ( -0.713 0.000 -9.282) 9.309 29.998 ( -0.713 0.000 9.282) 9.309 30.832 ( 4.064 0.000 -3.294) 5.231 30.832 ( 4.064 0.000 3.294) 5.231 31.169 ( -3.812 0.000 -6.775) 7.774 31.169 ( -3.812 0.000 6.775) 7.774 31.380 ( 1.156 0.000 -2.606) 2.851 31.380 ( 1.156 0.000 2.606) 2.851 31.483 ( -0.845 0.000 -4.132) 4.217 31.483 ( -0.845 0.000 4.132) 4.217 ======================= Grid point 139 (48/60) ======================= q-point: ( 0.40 0.00 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 1.403 0.000 -8.919) 9.029 1.622 ( 1.403 0.000 8.919) 9.029 1.817 ( -17.341 0.000 -28.095) 33.016 1.817 ( -17.341 0.000 28.095) 33.016 2.208 ( 9.748 0.000 -21.832) 23.909 2.208 ( 9.748 0.000 21.832) 23.909 2.466 ( -10.635 0.000 -21.135) 23.660 2.466 ( -10.635 0.000 21.135) 23.660 3.444 ( 8.063 0.000 -6.756) 10.519 3.444 ( 8.063 0.000 6.756) 10.519 3.499 ( 1.829 0.000 -6.876) 7.115 3.499 ( 1.829 0.000 6.876) 7.115 3.978 ( 16.150 0.000 -10.266) 19.137 3.978 ( 16.150 0.000 10.266) 19.137 4.100 ( 10.473 0.000 -17.860) 20.704 4.100 ( 10.473 0.000 17.860) 20.704 4.319 ( 7.607 0.000 -15.993) 17.710 4.319 ( 7.607 0.000 15.993) 17.710 4.438 ( -7.513 0.000 -4.957) 9.001 4.438 ( -7.513 0.000 4.957) 9.001 4.888 ( -3.283 0.000 -7.508) 8.194 4.888 ( -3.283 0.000 7.508) 8.194 4.934 ( -7.111 0.000 -2.592) 7.569 4.934 ( -7.111 0.000 2.592) 7.569 5.293 ( 7.652 0.000 -6.581) 10.093 5.293 ( 7.652 0.000 6.581) 10.093 5.368 ( -3.771 0.000 -5.566) 6.724 5.368 ( -3.771 0.000 5.566) 6.724 5.660 ( 4.405 0.000 -4.921) 6.605 5.660 ( 4.405 0.000 4.921) 6.605 5.965 ( -15.071 0.000 -9.430) 17.778 5.965 ( -15.071 0.000 9.430) 17.778 6.136 ( 10.679 0.000 -4.051) 11.421 6.136 ( 10.679 0.000 4.051) 11.421 6.308 ( -3.657 0.000 -10.491) 11.110 6.308 ( -3.657 0.000 10.491) 11.110 6.440 ( 3.531 0.000 -12.470) 12.960 6.440 ( 3.531 0.000 12.470) 12.960 6.619 ( -18.091 0.000 -9.521) 20.443 6.619 ( -18.091 0.000 9.521) 20.443 7.274 ( 5.797 0.000 -7.606) 9.563 7.274 ( 5.797 0.000 7.606) 9.563 7.389 ( -4.600 0.000 -7.264) 8.598 7.389 ( -4.600 0.000 7.264) 8.598 8.229 ( 12.823 0.000 -8.492) 15.380 8.229 ( 12.823 0.000 8.492) 15.380 8.394 ( 1.803 0.000 -6.298) 6.551 8.394 ( 1.803 0.000 6.298) 6.551 8.600 ( -6.275 0.000 -7.830) 10.034 8.600 ( -6.275 0.000 7.830) 10.034 8.613 ( -11.790 0.000 -4.355) 12.569 8.613 ( -11.790 0.000 4.355) 12.569 9.612 ( 12.461 0.000 -12.107) 17.374 9.612 ( 12.461 0.000 12.107) 17.374 9.885 ( -13.026 0.000 -17.588) 21.887 9.885 ( -13.026 0.000 17.588) 21.887 10.624 ( 13.876 0.000 -3.118) 14.222 10.624 ( 13.876 0.000 3.118) 14.222 10.812 ( -4.870 0.000 -4.877) 6.892 10.812 ( -4.870 0.000 4.877) 6.892 11.479 ( 13.093 0.000 -9.792) 16.349 11.479 ( 13.093 0.000 9.792) 16.349 11.867 ( -22.712 0.000 -16.668) 28.172 11.867 ( -22.712 0.000 16.668) 28.172 12.844 ( 15.528 0.000 -14.770) 21.431 12.844 ( 15.528 0.000 14.770) 21.431 13.153 ( -12.208 0.000 -15.380) 19.637 13.153 ( -12.208 0.000 15.380) 19.637 14.151 ( 6.195 0.000 -5.492) 8.279 14.151 ( 6.195 0.000 5.492) 8.279 14.259 ( -3.673 0.000 -7.531) 8.379 14.259 ( -3.673 0.000 7.531) 8.379 14.993 ( 8.900 0.000 -9.131) 12.750 14.993 ( 8.900 0.000 9.131) 12.750 15.161 ( -6.061 0.000 -8.348) 10.316 15.161 ( -6.061 0.000 8.348) 10.316 18.735 ( 12.313 0.000 -7.412) 14.372 18.735 ( 12.313 0.000 7.412) 14.372 19.005 ( -12.314 0.000 -7.885) 14.622 19.005 ( -12.314 0.000 7.885) 14.622 20.822 ( 3.037 0.000 -23.670) 23.864 20.822 ( 3.037 0.000 23.670) 23.864 20.915 ( -5.824 0.000 -21.462) 22.239 20.915 ( -5.824 0.000 21.462) 22.239 22.801 ( 5.969 0.000 -14.931) 16.080 22.801 ( 5.969 0.000 14.931) 16.080 22.925 ( -5.163 0.000 -12.107) 13.162 22.925 ( -5.163 0.000 12.107) 13.162 27.072 ( 6.078 0.000 -3.612) 7.070 27.072 ( 6.078 0.000 3.612) 7.070 27.196 ( -5.165 0.000 -3.597) 6.294 27.196 ( -5.165 0.000 3.597) 6.294 28.999 ( 12.144 0.000 -13.120) 17.877 28.999 ( 12.144 0.000 13.120) 17.877 29.269 ( -12.716 0.000 -11.218) 16.957 29.269 ( -12.716 0.000 11.218) 16.957 29.894 ( 3.614 0.000 -12.306) 12.825 29.894 ( 3.614 0.000 12.306) 12.825 29.962 ( -2.654 0.000 -11.786) 12.081 29.962 ( -2.654 0.000 11.786) 12.081 30.942 ( 5.835 0.000 -4.785) 7.546 30.942 ( 5.835 0.000 4.785) 7.546 31.065 ( -5.626 0.000 -5.670) 7.987 31.065 ( -5.626 0.000 5.670) 7.987 31.413 ( 1.897 0.000 -3.503) 3.984 31.413 ( 1.897 0.000 3.503) 3.984 31.454 ( -1.785 0.000 -4.156) 4.524 31.454 ( -1.785 0.000 4.156) 4.524 ======================= Grid point 145 (49/60) ======================= q-point: ( 0.00 0.11 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.000 15.377 -15.309) 21.698 1.709 ( 0.000 15.377 15.309) 21.698 2.265 ( 0.000 -3.222 -7.352) 8.027 2.265 ( 0.000 -3.222 7.352) 8.027 2.525 ( 0.000 -0.727 -0.047) 0.729 2.525 ( 0.000 -0.727 0.047) 0.729 2.690 ( 0.000 -0.935 -6.403) 6.471 2.690 ( 0.000 -0.935 6.403) 6.471 3.022 ( 0.000 13.792 -3.894) 14.331 3.022 ( 0.000 13.792 3.894) 14.331 3.273 ( 0.000 11.213 -5.454) 12.469 3.273 ( 0.000 11.213 5.454) 12.469 3.493 ( 0.000 2.067 -12.614) 12.782 3.493 ( 0.000 2.067 12.614) 12.782 3.840 ( 0.000 0.559 -4.266) 4.303 3.840 ( 0.000 0.559 4.266) 4.303 4.209 ( 0.000 3.494 -10.112) 10.698 4.209 ( 0.000 3.494 10.112) 10.698 4.488 ( 0.000 -0.001 -8.601) 8.601 4.488 ( 0.000 -0.001 8.601) 8.601 4.788 ( 0.000 3.712 -5.306) 6.476 4.788 ( 0.000 3.712 5.306) 6.476 5.069 ( 0.000 -2.041 -2.549) 3.265 5.069 ( 0.000 -2.041 2.549) 3.265 5.384 ( 0.000 0.189 -2.571) 2.578 5.384 ( 0.000 0.189 2.571) 2.578 5.539 ( 0.000 -2.690 -0.184) 2.697 5.539 ( 0.000 -2.690 0.184) 2.697 5.806 ( 0.000 0.845 -10.623) 10.656 5.806 ( 0.000 0.845 10.623) 10.656 5.935 ( 0.000 -2.524 -8.058) 8.444 5.935 ( 0.000 -2.524 8.058) 8.444 5.985 ( 0.000 -0.929 -2.985) 3.126 5.985 ( 0.000 -0.929 2.985) 3.126 6.269 ( 0.000 -3.025 -11.247) 11.646 6.269 ( 0.000 -3.025 11.247) 11.646 6.401 ( 0.000 1.402 -4.095) 4.329 6.401 ( 0.000 1.402 4.095) 4.329 7.058 ( 0.000 -5.010 -2.765) 5.722 7.058 ( 0.000 -5.010 2.765) 5.722 7.239 ( 0.000 -0.253 -3.430) 3.439 7.239 ( 0.000 -0.253 3.430) 3.439 7.671 ( 0.000 -3.446 -5.901) 6.834 7.671 ( 0.000 -3.446 5.901) 6.834 7.925 ( 0.000 3.650 -0.697) 3.716 7.925 ( 0.000 3.650 0.697) 3.716 8.164 ( 0.000 0.730 -1.838) 1.977 8.164 ( 0.000 0.730 1.838) 1.977 8.840 ( 0.000 -4.605 -4.508) 6.444 8.840 ( 0.000 -4.605 4.508) 6.444 9.143 ( 0.000 -2.887 -1.189) 3.122 9.143 ( 0.000 -2.887 1.189) 3.122 9.256 ( 0.000 1.012 -2.065) 2.300 9.256 ( 0.000 1.012 2.065) 2.300 9.880 ( 0.000 -0.647 -5.161) 5.201 9.880 ( 0.000 -0.647 5.161) 5.201 10.331 ( 0.000 -0.215 -10.897) 10.899 10.331 ( 0.000 -0.215 10.897) 10.899 10.888 ( 0.000 -0.514 -5.577) 5.600 10.888 ( 0.000 -0.514 5.577) 5.600 11.252 ( 0.000 1.892 -4.876) 5.230 11.252 ( 0.000 1.892 4.876) 5.230 12.441 ( 0.000 0.522 -3.228) 3.270 12.441 ( 0.000 0.522 3.228) 3.270 12.742 ( 0.000 0.682 -5.446) 5.489 12.742 ( 0.000 0.682 5.446) 5.489 13.138 ( 0.000 -4.991 -8.980) 10.274 13.138 ( 0.000 -4.991 8.980) 10.274 13.985 ( 0.000 -0.378 -0.049) 0.381 13.985 ( 0.000 -0.378 0.049) 0.381 14.302 ( 0.000 -0.771 -4.421) 4.487 14.302 ( 0.000 -0.771 4.421) 4.487 14.758 ( 0.000 -0.408 -16.035) 16.040 14.758 ( 0.000 -0.408 16.035) 16.040 15.168 ( 0.000 -5.832 -11.432) 12.833 15.168 ( 0.000 -5.832 11.432) 12.833 18.439 ( 0.000 -0.434 -2.586) 2.622 18.439 ( 0.000 -0.434 2.586) 2.622 19.296 ( 0.000 -0.610 -3.248) 3.305 19.296 ( 0.000 -0.610 3.248) 3.305 20.748 ( 0.000 -1.846 -11.208) 11.359 20.748 ( 0.000 -1.846 11.208) 11.359 21.134 ( 0.000 -0.335 -13.540) 13.545 21.134 ( 0.000 -0.335 13.540) 13.545 22.656 ( 0.000 0.146 -2.329) 2.334 22.656 ( 0.000 0.146 2.329) 2.334 22.983 ( 0.000 -2.881 -6.639) 7.237 22.983 ( 0.000 -2.881 6.639) 7.237 26.916 ( 0.000 0.123 -2.294) 2.298 26.916 ( 0.000 0.123 2.294) 2.298 27.293 ( 0.000 -0.099 -0.137) 0.169 27.293 ( 0.000 -0.099 0.137) 0.169 28.698 ( 0.000 -1.691 -17.878) 17.958 28.698 ( 0.000 -1.691 17.878) 17.958 29.416 ( 0.000 -22.364 -11.390) 25.097 29.416 ( 0.000 -22.364 11.390) 25.097 29.660 ( 0.000 -0.533 -4.545) 4.576 29.660 ( 0.000 -0.533 4.545) 4.576 29.970 ( 0.000 -3.130 -8.556) 9.110 29.970 ( 0.000 -3.130 8.556) 9.110 30.977 ( 0.000 10.144 -6.285) 11.933 30.977 ( 0.000 10.144 6.285) 11.933 31.148 ( 0.000 -3.819 -4.262) 5.723 31.148 ( 0.000 -3.819 4.262) 5.723 31.357 ( 0.000 5.025 -4.681) 6.867 31.357 ( 0.000 5.025 4.681) 6.867 31.734 ( 0.000 15.979 -11.049) 19.427 31.734 ( 0.000 15.979 11.049) 19.427 ======================= Grid point 147 (50/60) ======================= q-point: ( 0.20 0.11 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 0.578 12.677 -11.136) 16.883 1.745 ( 0.578 12.677 11.136) 16.883 2.102 ( -11.704 -4.353 -10.712) 16.452 2.102 ( -11.704 -4.353 10.712) 16.452 2.455 ( -10.297 8.584 -17.305) 21.891 2.455 ( -10.297 8.584 17.305) 21.891 2.650 ( 2.721 13.324 -9.772) 16.746 2.650 ( 2.721 13.324 9.772) 16.746 3.217 ( 14.615 3.887 -9.216) 17.710 3.217 ( 14.615 3.887 9.216) 17.710 3.359 ( 11.385 5.794 -7.970) 15.057 3.359 ( 11.385 5.794 7.970) 15.057 3.737 ( 9.930 -0.436 -5.589) 11.403 3.737 ( 9.930 -0.436 5.589) 11.403 3.864 ( 6.243 -0.189 -4.833) 7.898 3.864 ( 6.243 -0.189 4.833) 7.898 4.173 ( 2.046 4.542 -15.335) 16.124 4.173 ( 2.046 4.542 15.335) 16.124 4.496 ( -0.054 -0.524 -7.450) 7.469 4.496 ( -0.054 -0.524 7.450) 7.469 4.845 ( 3.036 -0.744 -7.582) 8.201 4.845 ( 3.036 -0.744 7.582) 8.201 5.055 ( -1.406 -0.136 -4.424) 4.644 5.055 ( -1.406 -0.136 4.424) 4.644 5.278 ( -7.311 -0.529 -5.625) 9.240 5.278 ( -7.311 -0.529 5.625) 9.240 5.569 ( -8.030 -0.229 -9.728) 12.616 5.569 ( -8.030 -0.229 9.728) 12.616 5.658 ( -0.512 0.914 -2.469) 2.681 5.658 ( -0.512 0.914 2.469) 2.681 5.924 ( 1.931 -3.533 -3.035) 5.042 5.924 ( 1.931 -3.533 3.035) 5.042 6.092 ( 3.759 0.331 -12.785) 13.330 6.092 ( 3.759 0.331 12.785) 13.330 6.303 ( 0.606 -3.221 -8.121) 8.757 6.303 ( 0.606 -3.221 8.121) 8.757 6.385 ( 0.222 0.748 -6.275) 6.323 6.385 ( 0.222 0.748 6.275) 6.323 7.007 ( -11.094 -6.165 -6.588) 14.300 7.007 ( -11.094 -6.165 6.588) 14.300 7.203 ( -0.800 1.745 -3.029) 3.586 7.203 ( -0.800 1.745 3.029) 3.586 7.519 ( -8.370 1.042 -7.643) 11.382 7.519 ( -8.370 1.042 7.643) 11.382 7.974 ( 7.271 -0.584 -6.912) 10.049 7.974 ( 7.271 -0.584 6.912) 10.049 8.275 ( 6.149 -0.977 -7.045) 9.402 8.275 ( 6.149 -0.977 7.045) 9.402 8.720 ( -8.943 -4.012 -7.077) 12.089 8.720 ( -8.943 -4.012 7.077) 12.089 8.934 ( -15.024 -1.085 -1.583) 15.146 8.934 ( -15.024 -1.085 1.583) 15.146 9.359 ( 9.453 -0.701 -8.709) 12.872 9.359 ( 9.453 -0.701 8.709) 12.872 10.083 ( 1.870 -0.411 -16.380) 16.492 10.083 ( 1.870 -0.411 16.380) 16.492 10.295 ( 7.951 -0.390 -6.529) 10.296 10.295 ( 7.951 -0.390 6.529) 10.296 10.872 ( -1.478 -0.258 -5.447) 5.650 10.872 ( -1.478 -0.258 5.447) 5.650 11.317 ( 5.397 1.970 -1.839) 6.032 11.317 ( 5.397 1.970 1.839) 6.032 12.370 ( -23.533 -1.125 -15.088) 27.977 12.370 ( -23.533 -1.125 15.088) 27.977 12.560 ( 9.418 0.579 -11.030) 14.516 12.560 ( 9.418 0.579 11.030) 14.516 13.267 ( 2.088 -2.162 -16.535) 16.806 13.267 ( 2.088 -2.162 16.535) 16.806 14.022 ( 4.210 -0.487 -4.603) 6.257 14.022 ( 4.210 -0.487 4.603) 6.257 14.308 ( -0.134 0.158 -6.531) 6.534 14.308 ( -0.134 0.158 6.531) 6.534 14.814 ( 5.300 -1.253 -13.187) 14.267 14.814 ( 5.300 -1.253 13.187) 14.267 15.172 ( -0.317 -5.361 -9.819) 11.191 15.172 ( -0.317 -5.361 9.819) 11.191 18.509 ( 6.689 -1.026 -4.966) 8.393 18.509 ( 6.689 -1.026 4.966) 8.393 19.213 ( -7.690 -0.845 -5.803) 9.671 19.213 ( -7.690 -0.845 5.803) 9.671 20.759 ( 1.133 -1.931 -17.886) 18.026 20.759 ( 1.133 -1.931 17.886) 18.026 21.052 ( -6.667 -0.386 -16.052) 17.385 21.052 ( -6.667 -0.386 16.052) 17.385 22.694 ( 3.450 0.015 -10.393) 10.951 22.694 ( 3.450 0.015 10.393) 10.951 22.980 ( -0.857 -1.922 -7.624) 7.909 22.980 ( -0.857 -1.922 7.624) 7.909 26.960 ( 3.967 0.017 -2.848) 4.883 26.960 ( 3.967 0.017 2.848) 4.883 27.273 ( -2.222 -0.214 -2.410) 3.285 27.273 ( -2.222 -0.214 2.410) 3.285 28.778 ( 7.374 -1.361 -14.382) 16.219 28.778 ( 7.374 -1.361 14.382) 16.219 29.439 ( -1.454 -12.697 -2.477) 13.018 29.439 ( -1.454 -12.697 2.477) 13.018 29.599 ( -1.611 -8.031 -3.197) 8.793 29.599 ( -1.611 -8.031 3.197) 8.793 29.974 ( -0.591 -3.618 -9.410) 10.099 29.974 ( -0.591 -3.618 9.410) 10.099 30.969 ( -0.142 6.811 -3.787) 7.795 30.969 ( -0.142 6.811 3.787) 7.795 31.135 ( -1.560 -1.997 -4.383) 5.063 31.135 ( -1.560 -1.997 4.383) 5.063 31.360 ( 0.494 5.703 -1.928) 6.040 31.360 ( 0.494 5.703 1.928) 6.040 31.719 ( -1.259 15.083 -10.293) 18.303 31.719 ( -1.259 15.083 10.293) 18.303 ======================= Grid point 149 (51/60) ======================= q-point: ( 0.40 0.11 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 1.227 7.824 -10.430) 13.096 1.709 ( 1.227 7.824 10.430) 13.096 1.889 ( -12.838 7.308 -20.258) 25.072 1.889 ( -12.838 7.308 20.258) 25.072 2.306 ( 3.294 10.758 -14.943) 18.705 2.306 ( 3.294 10.758 14.943) 18.705 2.657 ( -5.150 16.275 -17.686) 24.580 2.657 ( -5.150 16.275 17.686) 24.580 3.464 ( 7.155 1.840 -4.943) 8.889 3.464 ( 7.155 1.840 4.943) 8.889 3.533 ( 0.673 2.971 -5.178) 6.008 3.533 ( 0.673 2.971 5.178) 6.008 3.945 ( 15.821 -2.200 -6.028) 17.073 3.945 ( 15.821 -2.200 6.028) 17.073 4.131 ( 11.032 2.425 -13.218) 17.387 4.131 ( 11.032 2.425 13.218) 17.387 4.300 ( 3.823 -1.522 -12.129) 12.808 4.300 ( 3.823 -1.522 12.129) 12.808 4.456 ( -2.649 1.950 -1.495) 3.613 4.456 ( -2.649 1.950 1.495) 3.613 4.845 ( -2.139 -3.261 -5.894) 7.067 4.845 ( -2.139 -3.261 5.894) 7.067 4.945 ( -8.119 0.064 -1.387) 8.237 4.945 ( -8.119 0.064 1.387) 8.237 5.243 ( 4.118 -3.395 -6.571) 8.465 5.243 ( 4.118 -3.395 6.571) 8.465 5.403 ( -4.346 1.813 -6.442) 7.980 5.403 ( -4.346 1.813 6.442) 7.980 5.669 ( 5.325 0.736 -5.502) 7.692 5.669 ( 5.325 0.736 5.502) 7.692 5.951 ( -12.680 -1.515 -6.757) 14.447 5.951 ( -12.680 -1.515 6.757) 14.447 6.122 ( 8.228 -1.386 -2.392) 8.680 6.122 ( 8.228 -1.386 2.392) 8.680 6.272 ( -2.978 -2.816 -9.982) 10.791 6.272 ( -2.978 -2.816 9.982) 10.791 6.437 ( 3.602 -0.495 -8.600) 9.337 6.437 ( 3.602 -0.495 8.600) 9.337 6.616 ( -16.481 -0.423 -7.935) 18.296 6.616 ( -16.481 -0.423 7.935) 18.296 7.279 ( 5.969 0.507 -5.656) 8.239 7.279 ( 5.969 0.507 5.656) 8.239 7.402 ( -5.013 1.130 -4.866) 7.077 7.402 ( -5.013 1.130 4.866) 7.077 8.188 ( 11.238 -3.790 -6.938) 13.740 8.188 ( 11.238 -3.790 6.938) 13.740 8.360 ( -0.300 -3.481 -4.913) 6.029 8.360 ( -0.300 -3.481 4.913) 6.029 8.535 ( -5.507 -2.918 -1.423) 6.393 8.535 ( -5.507 -2.918 1.423) 6.393 8.661 ( -9.321 1.430 -5.947) 11.149 8.661 ( -9.321 1.430 5.947) 11.149 9.592 ( 12.016 -1.666 -12.469) 17.396 9.592 ( 12.016 -1.666 12.469) 17.396 9.880 ( -12.884 -0.645 -17.103) 21.423 9.880 ( -12.884 -0.645 17.103) 21.423 10.626 ( 14.033 0.201 -2.914) 14.334 10.626 ( 14.033 0.201 2.914) 14.334 10.817 ( -4.468 0.408 -4.089) 6.070 10.817 ( -4.468 0.408 4.089) 6.070 11.491 ( 12.301 1.144 -9.203) 15.406 11.491 ( 12.301 1.144 9.203) 15.406 11.867 ( -22.026 -0.003 -16.182) 27.331 11.867 ( -22.026 -0.003 16.182) 27.331 12.840 ( 15.234 -0.402 -14.915) 21.324 12.840 ( 15.234 -0.402 14.915) 21.324 13.146 ( -11.809 -0.673 -15.422) 19.436 13.146 ( -11.809 -0.673 15.422) 19.436 14.144 ( 5.755 -0.484 -4.083) 7.073 14.144 ( 5.755 -0.484 4.083) 7.073 14.275 ( -2.864 1.379 -7.989) 8.598 14.275 ( -2.864 1.379 7.989) 8.598 14.965 ( 7.953 -2.777 -8.955) 12.295 14.965 ( 7.953 -2.777 8.955) 12.295 15.120 ( -4.900 -3.778 -7.645) 9.835 15.120 ( -4.900 -3.778 7.645) 9.835 18.713 ( 12.031 -1.874 -7.525) 14.314 18.713 ( 12.031 -1.874 7.525) 14.314 18.991 ( -12.499 -1.385 -8.165) 14.994 18.991 ( -12.499 -1.385 8.165) 14.994 20.804 ( 3.290 -1.693 -23.102) 23.397 20.804 ( 3.290 -1.693 23.102) 23.397 20.906 ( -6.172 -0.883 -21.118) 22.020 20.906 ( -6.172 -0.883 21.118) 22.020 22.786 ( 4.379 -0.980 -14.461) 15.142 22.786 ( 4.379 -0.980 14.461) 15.142 22.933 ( -3.132 0.375 -11.898) 12.309 22.933 ( -3.132 0.375 11.898) 12.309 27.070 ( 5.969 -0.198 -3.649) 6.999 27.070 ( 5.969 -0.198 3.649) 6.999 27.193 ( -5.144 -0.302 -3.651) 6.316 27.193 ( -5.144 -0.302 3.651) 6.316 28.992 ( 12.115 -0.862 -11.537) 16.752 28.992 ( 12.115 -0.862 11.537) 16.752 29.263 ( -11.993 -0.815 -10.271) 15.811 29.263 ( -11.993 -0.815 10.271) 15.811 29.678 ( 5.034 -14.780 -9.520) 18.287 29.678 ( 5.034 -14.780 9.520) 18.287 29.928 ( -3.001 -6.181 -9.442) 11.678 29.928 ( -3.001 -6.181 9.442) 11.678 30.988 ( 1.772 2.500 -4.181) 5.184 30.988 ( 1.772 2.500 4.181) 5.184 31.082 ( -2.825 0.004 -5.344) 6.045 31.082 ( -2.825 0.004 5.344) 6.045 31.375 ( 0.587 6.746 -3.120) 7.456 31.375 ( 0.587 6.746 3.120) 7.456 31.694 ( -0.791 13.740 -9.116) 16.508 31.694 ( -0.791 13.740 9.116) 16.508 ======================= Grid point 155 (52/60) ======================= q-point: ( 0.00 0.22 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 0.000 11.786 -11.964) 16.794 2.045 ( 0.000 11.786 11.964) 16.794 2.124 ( 0.000 -4.066 -7.044) 8.133 2.124 ( 0.000 -4.066 7.044) 8.133 2.589 ( 0.000 3.763 -3.620) 5.222 2.589 ( 0.000 3.763 3.620) 5.222 2.757 ( 0.000 8.619 -0.787) 8.655 2.757 ( 0.000 8.619 0.787) 8.655 3.260 ( 0.000 7.762 -5.109) 9.293 3.260 ( 0.000 7.762 5.109) 9.293 3.454 ( 0.000 5.253 -4.666) 7.026 3.454 ( 0.000 5.253 4.666) 7.026 3.617 ( 0.000 12.067 -9.502) 15.359 3.617 ( 0.000 12.067 9.502) 15.359 3.935 ( 0.000 9.103 -2.887) 9.550 3.935 ( 0.000 9.103 2.887) 9.550 4.296 ( 0.000 5.168 -4.855) 7.091 4.296 ( 0.000 5.168 4.855) 7.091 4.494 ( 0.000 0.922 -4.671) 4.762 4.494 ( 0.000 0.922 4.671) 4.762 4.875 ( 0.000 2.731 -5.036) 5.729 4.875 ( 0.000 2.731 5.036) 5.729 5.004 ( 0.000 -2.434 -0.635) 2.515 5.004 ( 0.000 -2.434 0.635) 2.515 5.361 ( 0.000 -2.901 -2.607) 3.901 5.361 ( 0.000 -2.901 2.607) 3.901 5.477 ( 0.000 -3.313 -0.414) 3.339 5.477 ( 0.000 -3.313 0.414) 3.339 5.807 ( 0.000 -2.442 -2.226) 3.304 5.807 ( 0.000 -2.442 2.226) 3.304 5.888 ( 0.000 -1.512 -3.214) 3.552 5.888 ( 0.000 -1.512 3.214) 3.552 5.955 ( 0.000 -1.036 -2.135) 2.373 5.955 ( 0.000 -1.036 2.135) 2.373 6.210 ( 0.000 -2.437 -10.597) 10.873 6.210 ( 0.000 -2.437 10.597) 10.873 6.417 ( 0.000 -0.109 -3.514) 3.516 6.417 ( 0.000 -0.109 3.514) 3.516 6.948 ( 0.000 -5.239 -6.855) 8.628 6.948 ( 0.000 -5.239 6.855) 8.628 7.241 ( 0.000 0.657 -2.288) 2.380 7.241 ( 0.000 0.657 2.288) 2.380 7.595 ( 0.000 -3.841 -2.770) 4.735 7.595 ( 0.000 -3.841 2.770) 4.735 7.984 ( 0.000 1.594 -2.618) 3.065 7.984 ( 0.000 1.594 2.618) 3.065 8.178 ( 0.000 0.531 -1.059) 1.185 8.178 ( 0.000 0.531 1.059) 1.185 8.729 ( 0.000 -5.950 -2.333) 6.391 8.729 ( 0.000 -5.950 2.333) 6.391 9.100 ( 0.000 -1.407 -2.226) 2.634 9.100 ( 0.000 -1.407 2.226) 2.634 9.253 ( 0.000 -1.060 -4.624) 4.744 9.253 ( 0.000 -1.060 4.624) 4.744 9.846 ( 0.000 -2.858 -6.839) 7.412 9.846 ( 0.000 -2.858 6.839) 7.412 10.324 ( 0.000 -0.502 -9.932) 9.945 10.324 ( 0.000 -0.502 9.932) 9.945 10.881 ( 0.000 -0.166 -4.385) 4.388 10.881 ( 0.000 -0.166 4.385) 4.388 11.289 ( 0.000 1.482 -3.463) 3.767 11.289 ( 0.000 1.482 3.463) 3.767 12.458 ( 0.000 1.150 -3.565) 3.746 12.458 ( 0.000 1.150 3.565) 3.746 12.748 ( 0.000 -0.591 -1.150) 1.293 12.748 ( 0.000 -0.591 1.150) 1.293 13.026 ( 0.000 -5.192 -10.499) 11.713 13.026 ( 0.000 -5.192 10.499) 11.713 13.983 ( 0.000 0.241 -1.649) 1.666 13.983 ( 0.000 0.241 1.649) 1.666 14.274 ( 0.000 -2.060 -3.951) 4.456 14.274 ( 0.000 -2.060 3.951) 4.456 14.748 ( 0.000 -0.539 -16.215) 16.224 14.748 ( 0.000 -0.539 16.215) 16.224 15.048 ( 0.000 -5.326 -16.363) 17.208 15.048 ( 0.000 -5.326 16.363) 17.208 18.436 ( 0.000 0.219 -3.153) 3.160 18.436 ( 0.000 0.219 3.153) 3.160 19.279 ( 0.000 -1.071 -2.854) 3.048 19.279 ( 0.000 -1.071 2.854) 3.048 20.701 ( 0.000 -2.720 -12.023) 12.327 20.701 ( 0.000 -2.720 12.023) 12.327 21.125 ( 0.000 -0.492 -13.898) 13.907 21.125 ( 0.000 -0.492 13.898) 13.907 22.662 ( 0.000 0.492 -1.610) 1.684 22.662 ( 0.000 0.492 1.610) 1.684 22.913 ( 0.000 -3.886 -7.830) 8.741 22.913 ( 0.000 -3.886 7.830) 8.741 26.919 ( 0.000 0.089 -2.378) 2.379 26.919 ( 0.000 0.089 2.378) 2.379 27.291 ( 0.000 -0.119 -0.041) 0.126 27.291 ( 0.000 -0.119 0.041) 0.126 28.601 ( 0.000 -8.841 -20.238) 22.085 28.601 ( 0.000 -8.841 20.238) 22.085 29.063 ( 0.000 -9.707 -22.845) 24.822 29.063 ( 0.000 -9.707 22.845) 24.822 29.660 ( 0.000 -0.680 -7.208) 7.240 29.660 ( 0.000 -0.680 7.208) 7.240 29.906 ( 0.000 -2.541 -9.993) 10.311 29.906 ( 0.000 -2.541 9.993) 10.311 30.942 ( 0.000 -6.267 -0.726) 6.309 30.942 ( 0.000 -6.267 0.726) 6.309 31.275 ( 0.000 9.451 -9.036) 13.076 31.275 ( 0.000 9.451 9.036) 13.076 31.502 ( 0.000 8.632 -5.457) 10.212 31.502 ( 0.000 8.632 5.457) 10.212 32.021 ( 0.000 11.731 -18.468) 21.879 32.021 ( 0.000 11.731 18.468) 21.879 ======================= Grid point 157 (53/60) ======================= q-point: ( 0.20 0.22 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -7.377 4.072 -10.552) 13.503 1.948 ( -7.377 4.072 10.552) 13.503 2.137 ( 1.949 8.518 -5.001) 10.068 2.137 ( 1.949 8.518 5.001) 10.068 2.632 ( 1.996 10.599 -6.309) 12.495 2.632 ( 1.996 10.599 6.309) 12.495 2.944 ( 5.880 13.753 -8.530) 17.218 2.944 ( 5.880 13.753 8.530) 17.218 3.306 ( 11.939 3.960 -4.700) 13.428 3.306 ( 11.939 3.960 4.700) 13.428 3.483 ( 6.287 5.448 -7.138) 10.962 3.483 ( 6.287 5.448 7.138) 10.962 3.763 ( 6.163 5.498 -6.525) 10.526 3.763 ( 6.163 5.498 6.525) 10.526 3.932 ( 2.953 6.340 -1.559) 7.166 3.932 ( 2.953 6.340 1.559) 7.166 4.274 ( 0.828 5.383 -12.323) 13.473 4.274 ( 0.828 5.383 12.323) 13.473 4.485 ( -1.109 -0.239 -4.238) 4.387 4.485 ( -1.109 -0.239 4.238) 4.387 4.810 ( -3.234 -3.091 -3.635) 5.765 4.810 ( -3.234 -3.091 3.635) 5.765 5.051 ( -0.581 -0.044 -8.008) 8.029 5.051 ( -0.581 -0.044 8.008) 8.029 5.243 ( -6.562 -2.987 -4.767) 8.643 5.243 ( -6.562 -2.987 4.767) 8.643 5.564 ( 0.615 -0.321 -7.880) 7.910 5.564 ( 0.615 -0.321 7.880) 7.910 5.682 ( -4.202 0.513 -4.954) 6.516 5.682 ( -4.202 0.513 4.954) 6.516 5.858 ( 0.955 -1.980 -3.553) 4.178 5.858 ( 0.955 -1.980 3.553) 4.178 6.070 ( 4.133 -2.272 -8.539) 9.755 6.070 ( 4.133 -2.272 8.539) 9.755 6.233 ( 0.300 -3.700 -10.432) 11.073 6.233 ( 0.300 -3.700 10.432) 11.073 6.390 ( -1.272 -0.346 -5.793) 5.941 6.390 ( -1.272 -0.346 5.793) 5.941 6.888 ( -8.436 -5.313 -10.314) 14.345 6.888 ( -8.436 -5.313 10.314) 14.345 7.227 ( -0.432 0.990 -3.295) 3.467 7.227 ( -0.432 0.990 3.295) 3.467 7.527 ( -4.992 -0.418 -8.976) 10.280 7.527 ( -4.992 -0.418 8.976) 10.280 7.966 ( 2.574 -0.222 -5.598) 6.166 7.966 ( 2.574 -0.222 5.598) 6.166 8.241 ( 3.465 -2.403 -6.175) 7.477 8.241 ( 3.465 -2.403 6.175) 7.477 8.626 ( -8.300 -5.029 -6.016) 11.418 8.626 ( -8.300 -5.029 6.016) 11.418 8.903 ( -13.147 -2.001 -0.588) 13.311 8.903 ( -13.147 -2.001 0.588) 13.311 9.338 ( 8.177 -1.241 -9.213) 12.381 9.338 ( 8.177 -1.241 9.213) 12.381 10.062 ( 2.575 -1.819 -16.023) 16.331 10.062 ( 2.575 -1.819 16.023) 16.331 10.285 ( 7.893 -0.525 -6.376) 10.160 10.285 ( 7.893 -0.525 6.376) 10.160 10.871 ( -0.957 0.122 -4.176) 4.285 10.871 ( -0.957 0.122 4.176) 4.285 11.359 ( 5.470 1.874 -2.089) 6.148 11.359 ( 5.470 1.874 2.089) 6.148 12.344 ( -22.246 -1.351 -14.992) 26.860 12.344 ( -22.246 -1.351 14.992) 26.860 12.574 ( 7.633 0.720 -10.600) 13.082 12.574 ( 7.633 0.720 10.600) 13.082 13.215 ( 4.553 -2.818 -16.347) 17.202 13.215 ( 4.553 -2.818 16.347) 17.202 14.017 ( 4.138 0.153 -5.468) 6.859 14.017 ( 4.138 0.153 5.468) 6.859 14.302 ( 1.608 -0.860 -6.550) 6.799 14.302 ( 1.608 -0.860 6.550) 6.799 14.782 ( 3.529 -1.739 -13.281) 13.851 14.782 ( 3.529 -1.739 13.281) 13.851 15.056 ( 0.225 -5.498 -13.093) 14.202 15.056 ( 0.225 -5.498 13.093) 14.202 18.492 ( 5.601 -0.436 -5.102) 7.589 18.492 ( 5.601 -0.436 5.102) 7.589 19.190 ( -8.183 -1.342 -5.903) 10.179 19.190 ( -8.183 -1.342 5.903) 10.179 20.710 ( 1.160 -2.720 -17.707) 17.952 20.710 ( 1.160 -2.720 17.707) 17.952 21.041 ( -6.975 -0.667 -16.409) 17.842 21.041 ( -6.975 -0.667 16.409) 17.842 22.699 ( 3.218 0.496 -9.672) 10.206 22.699 ( 3.218 0.496 9.672) 10.206 22.929 ( 0.880 -2.970 -8.214) 8.779 22.929 ( 0.880 -2.970 8.214) 8.779 26.960 ( 3.750 -0.042 -2.895) 4.738 26.960 ( 3.750 -0.042 2.895) 4.738 27.267 ( -2.457 -0.339 -2.554) 3.560 27.267 ( -2.457 -0.339 2.554) 3.560 28.700 ( 8.990 -7.215 -12.389) 16.923 28.700 ( 8.990 -7.215 12.389) 16.923 29.149 ( 7.241 -9.601 -14.868) 19.122 29.149 ( 7.241 -9.601 14.868) 19.122 29.553 ( -8.639 -1.298 -8.069) 11.893 29.553 ( -8.639 -1.298 8.069) 11.893 29.887 ( -2.892 -4.165 -10.115) 11.315 29.887 ( -2.892 -4.165 10.115) 11.315 30.945 ( 0.753 -4.606 -2.719) 5.401 30.945 ( 0.753 -4.606 2.719) 5.401 31.218 ( -4.717 6.330 -4.775) 9.226 31.218 ( -4.717 6.330 4.775) 9.226 31.546 ( 3.332 11.059 -3.918) 12.197 31.546 ( 3.332 11.059 3.918) 12.197 31.991 ( -2.512 11.333 -16.530) 20.199 31.991 ( -2.512 11.333 16.530) 20.199 ======================= Grid point 159 (54/60) ======================= q-point: ( 0.40 0.22 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 3.744 11.006 -14.143) 18.307 1.902 ( 3.744 11.006 14.143) 18.307 2.085 ( -7.411 10.962 -10.732) 17.037 2.085 ( -7.411 10.962 10.732) 17.037 2.601 ( -0.785 17.336 -7.787) 19.021 2.601 ( -0.785 17.336 7.787) 19.021 3.016 ( 0.537 17.636 -8.640) 19.646 3.016 ( 0.537 17.636 8.640) 19.646 3.504 ( 6.287 1.915 -1.606) 6.766 3.504 ( 6.287 1.915 1.606) 6.766 3.598 ( -2.248 3.348 -3.576) 5.391 3.598 ( -2.248 3.348 3.576) 5.391 3.925 ( 13.088 0.673 -5.257) 14.120 3.925 ( 13.088 0.673 5.257) 14.120 4.168 ( 2.742 0.056 -9.491) 9.880 4.168 ( 2.742 0.056 9.491) 9.880 4.299 ( 8.104 3.340 -11.851) 14.740 4.299 ( 8.104 3.340 11.851) 14.740 4.514 ( 4.045 3.363 -3.741) 6.455 4.514 ( 4.045 3.363 3.741) 6.455 4.776 ( 0.312 -3.410 -5.513) 6.489 4.776 ( 0.312 -3.410 5.513) 6.489 4.930 ( -7.661 -1.276 -1.257) 7.867 4.930 ( -7.661 -1.276 1.257) 7.867 5.174 ( 1.669 -3.754 -6.638) 7.806 5.174 ( 1.669 -3.754 6.638) 7.806 5.417 ( -13.440 -0.371 -7.339) 15.318 5.417 ( -13.440 -0.371 7.339) 15.318 5.681 ( 6.908 0.360 -7.324) 10.074 5.681 ( 6.908 0.360 7.324) 10.074 5.906 ( -8.777 -2.835 -7.543) 11.915 5.906 ( -8.777 -2.835 7.543) 11.915 6.087 ( 5.713 -1.745 -5.089) 7.847 6.087 ( 5.713 -1.745 5.089) 7.847 6.219 ( -1.131 -2.487 -7.652) 8.125 6.219 ( -1.131 -2.487 7.652) 8.125 6.416 ( 3.669 -1.717 -4.107) 5.769 6.416 ( 3.669 -1.717 4.107) 5.769 6.595 ( -14.091 -1.769 -5.767) 15.328 6.595 ( -14.091 -1.769 5.767) 15.328 7.290 ( 5.683 0.491 -4.160) 7.060 7.290 ( 5.683 0.491 4.160) 7.060 7.427 ( -5.114 1.347 -6.338) 8.254 7.427 ( -5.114 1.347 6.338) 8.254 8.100 ( 8.394 -4.467 -4.502) 10.520 8.100 ( 8.394 -4.467 4.502) 10.520 8.268 ( -3.489 -5.256 -5.682) 8.490 8.268 ( -3.489 -5.256 5.682) 8.490 8.490 ( -0.519 -1.940 -4.415) 4.850 8.490 ( -0.519 -1.940 4.415) 4.850 8.656 ( -9.546 -1.887 -5.502) 11.178 8.656 ( -9.546 -1.887 5.502) 11.178 9.558 ( 11.786 -1.533 -12.984) 17.603 9.558 ( 11.786 -1.533 12.984) 17.603 9.857 ( -13.036 -1.558 -16.554) 21.128 9.857 ( -13.036 -1.558 16.554) 21.128 10.629 ( 14.703 0.091 -2.912) 14.989 10.629 ( 14.703 0.091 2.912) 14.989 10.826 ( -4.131 0.470 -2.586) 4.896 10.826 ( -4.131 0.470 2.586) 4.896 11.519 ( 11.030 1.584 -7.971) 13.700 11.519 ( 11.030 1.584 7.971) 13.700 11.868 ( -20.599 0.176 -15.034) 25.502 11.868 ( -20.599 0.176 15.034) 25.502 12.831 ( 14.486 -0.463 -15.232) 21.026 12.831 ( 14.486 -0.463 15.232) 21.026 13.128 ( -10.810 -1.048 -15.577) 18.989 13.128 ( -10.810 -1.048 15.577) 18.989 14.140 ( 5.511 0.208 -2.697) 6.139 14.140 ( 5.511 0.208 2.697) 6.139 14.302 ( -1.640 0.998 -8.262) 8.482 14.302 ( -1.640 0.998 8.262) 8.482 14.892 ( 5.836 -4.067 -8.861) 11.363 14.892 ( 5.836 -4.067 8.861) 11.363 15.029 ( -2.965 -4.876 -6.637) 8.754 15.029 ( -2.965 -4.876 6.637) 8.754 18.676 ( 11.269 -1.620 -7.660) 13.722 18.676 ( 11.269 -1.620 7.660) 13.722 18.957 ( -12.788 -1.816 -8.582) 15.508 18.957 ( -12.788 -1.816 8.582) 15.508 20.762 ( 3.968 -2.284 -22.323) 22.788 20.762 ( 3.968 -2.284 22.323) 22.788 20.882 ( -7.041 -1.408 -20.820) 22.024 20.882 ( -7.041 -1.408 20.820) 22.024 22.776 ( 3.091 0.051 -13.562) 13.910 22.776 ( 3.091 0.051 13.562) 13.910 22.927 ( -0.942 -1.058 -11.576) 11.663 22.927 ( -0.942 -1.058 11.576) 11.663 27.065 ( 5.716 -0.333 -3.709) 6.822 27.065 ( 5.716 -0.333 3.709) 6.822 27.185 ( -5.109 -0.509 -3.776) 6.373 27.185 ( -5.109 -0.509 3.776) 6.373 28.947 ( 13.006 -4.110 -4.729) 14.436 28.947 ( 13.006 -4.110 4.729) 14.436 29.226 ( -6.930 -2.867 -6.288) 9.787 29.226 ( -6.930 -2.867 6.288) 9.787 29.431 ( 2.917 -8.410 -7.117) 11.397 29.431 ( 2.917 -8.410 7.117) 11.397 29.774 ( -6.313 -7.761 -7.351) 12.415 29.774 ( -6.313 -7.761 7.351) 12.415 30.994 ( 3.961 -1.137 -3.840) 5.633 30.994 ( 3.961 -1.137 3.840) 5.633 31.102 ( -5.758 2.254 -3.593) 7.152 31.102 ( -5.758 2.254 3.593) 7.152 31.610 ( 1.972 13.714 -8.658) 16.338 31.610 ( 1.972 13.714 8.658) 16.338 31.939 ( -1.769 10.243 -13.002) 16.646 31.939 ( -1.769 10.243 13.002) 16.646 ======================= Grid point 165 (55/60) ======================= q-point: ( 0.00 0.33 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 0.000 -6.578 -1.885) 6.843 1.937 ( 0.000 -6.578 1.885) 6.843 2.317 ( 0.000 6.898 -0.528) 6.918 2.317 ( 0.000 6.898 0.528) 6.918 2.687 ( 0.000 6.547 -2.321) 6.946 2.687 ( 0.000 6.547 2.321) 6.946 2.961 ( 0.000 10.010 -1.897) 10.188 2.961 ( 0.000 10.010 1.897) 10.188 3.366 ( 0.000 4.196 -2.563) 4.917 3.366 ( 0.000 4.196 2.563) 4.917 3.504 ( 0.000 1.693 -0.794) 1.870 3.504 ( 0.000 1.693 0.794) 1.870 3.903 ( 0.000 13.357 -7.687) 15.411 3.903 ( 0.000 13.357 7.687) 15.411 4.126 ( 0.000 8.381 -0.020) 8.381 4.126 ( 0.000 8.381 0.020) 8.381 4.403 ( 0.000 4.885 -0.612) 4.923 4.403 ( 0.000 4.885 0.612) 4.923 4.545 ( 0.000 4.083 -0.255) 4.091 4.545 ( 0.000 4.083 0.255) 4.091 4.815 ( 0.000 -5.167 -2.438) 5.713 4.815 ( 0.000 -5.167 2.438) 5.713 5.045 ( 0.000 3.207 -2.985) 4.382 5.045 ( 0.000 3.207 2.985) 4.382 5.289 ( 0.000 -3.324 -6.460) 7.265 5.289 ( 0.000 -3.324 6.460) 7.265 5.399 ( 0.000 -4.842 -0.662) 4.887 5.399 ( 0.000 -4.842 0.662) 4.887 5.728 ( 0.000 -3.784 -8.198) 9.029 5.728 ( 0.000 -3.784 8.198) 9.029 5.849 ( 0.000 -2.063 -7.061) 7.356 5.849 ( 0.000 -2.063 7.061) 7.356 5.964 ( 0.000 0.721 -11.325) 11.348 5.964 ( 0.000 0.721 11.325) 11.348 6.181 ( 0.000 -0.540 -10.560) 10.574 6.181 ( 0.000 -0.540 10.560) 10.574 6.392 ( 0.000 -2.234 -3.787) 4.397 6.392 ( 0.000 -2.234 3.787) 4.397 6.867 ( 0.000 -2.850 -10.573) 10.951 6.867 ( 0.000 -2.850 10.573) 10.951 7.273 ( 0.000 2.640 -2.532) 3.658 7.273 ( 0.000 2.640 2.532) 3.658 7.534 ( 0.000 -1.974 -1.692) 2.600 7.534 ( 0.000 -1.974 1.692) 2.600 7.977 ( 0.000 -2.142 -4.659) 5.128 7.977 ( 0.000 -2.142 4.659) 5.128 8.179 ( 0.000 -0.630 -3.760) 3.812 8.179 ( 0.000 -0.630 3.760) 3.812 8.618 ( 0.000 -4.844 -1.477) 5.064 8.618 ( 0.000 -4.844 1.477) 5.064 9.086 ( 0.000 -0.162 -3.814) 3.818 9.086 ( 0.000 -0.162 3.814) 3.818 9.228 ( 0.000 -1.198 -7.031) 7.132 9.228 ( 0.000 -1.198 7.031) 7.132 9.776 ( 0.000 -3.753 -8.264) 9.077 9.776 ( 0.000 -3.753 8.264) 9.077 10.312 ( 0.000 -0.605 -8.523) 8.544 10.312 ( 0.000 -0.605 8.523) 8.544 10.881 ( 0.000 0.072 -4.041) 4.042 10.881 ( 0.000 0.072 4.041) 4.042 11.306 ( 0.000 0.260 -3.038) 3.049 11.306 ( 0.000 0.260 3.038) 3.049 12.487 ( 0.000 1.707 -4.231) 4.563 12.487 ( 0.000 1.707 4.231) 4.563 12.705 ( 0.000 -3.392 -6.036) 6.924 12.705 ( 0.000 -3.392 6.036) 6.924 12.964 ( 0.000 -1.048 -7.290) 7.365 12.964 ( 0.000 -1.048 7.290) 7.365 13.997 ( 0.000 1.089 -3.450) 3.618 13.997 ( 0.000 1.089 3.450) 3.618 14.226 ( 0.000 -2.561 -3.780) 4.566 14.226 ( 0.000 -2.561 3.780) 4.566 14.739 ( 0.000 -0.356 -16.545) 16.549 14.739 ( 0.000 -0.356 16.545) 16.549 14.969 ( 0.000 -2.622 -18.624) 18.808 14.969 ( 0.000 -2.622 18.624) 18.808 18.445 ( 0.000 0.656 -4.007) 4.060 18.445 ( 0.000 0.656 4.007) 4.060 19.257 ( 0.000 -1.009 -2.203) 2.423 19.257 ( 0.000 -1.009 2.203) 2.423 20.649 ( 0.000 -2.220 -12.525) 12.720 20.649 ( 0.000 -2.220 12.525) 12.720 21.116 ( 0.000 -0.404 -14.155) 14.161 21.116 ( 0.000 -0.404 14.155) 14.161 22.676 ( 0.000 0.869 -1.259) 1.529 22.676 ( 0.000 0.869 1.259) 1.529 22.839 ( 0.000 -3.370 -8.498) 9.142 22.839 ( 0.000 -3.370 8.498) 9.142 26.919 ( 0.000 -0.011 -2.439) 2.439 26.919 ( 0.000 -0.011 2.439) 2.439 27.289 ( 0.000 -0.063 -0.206) 0.215 27.289 ( 0.000 -0.063 0.206) 0.215 28.406 ( 0.000 -8.716 -24.793) 26.280 28.406 ( 0.000 -8.716 24.793) 26.280 28.989 ( 0.000 -0.184 -22.658) 22.659 28.989 ( 0.000 -0.184 22.658) 22.659 29.621 ( 0.000 -2.822 -5.881) 6.523 29.621 ( 0.000 -2.822 5.881) 6.523 29.881 ( 0.000 -0.219 -8.193) 8.196 29.881 ( 0.000 -0.219 8.193) 8.196 30.837 ( 0.000 -3.972 -0.286) 3.982 30.837 ( 0.000 -3.972 0.286) 3.982 31.420 ( 0.000 5.077 -6.920) 8.583 31.420 ( 0.000 5.077 6.920) 8.583 31.679 ( 0.000 8.417 -7.628) 11.359 31.679 ( 0.000 8.417 7.628) 11.359 32.189 ( 0.000 5.342 -20.136) 20.833 32.189 ( 0.000 5.342 20.136) 20.833 ======================= Grid point 167 (56/60) ======================= q-point: ( 0.20 0.33 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 4.062 0.672 -10.034) 10.846 1.979 ( 4.062 0.672 10.034) 10.846 2.294 ( 0.194 5.458 -3.808) 6.658 2.294 ( 0.194 5.458 3.808) 6.658 2.884 ( 8.444 13.271 -2.808) 15.978 2.884 ( 8.444 13.271 2.808) 15.978 3.139 ( 14.556 5.466 -5.524) 16.501 3.139 ( 14.556 5.466 5.524) 16.501 3.372 ( 0.903 3.313 -2.340) 4.155 3.372 ( 0.903 3.313 2.340) 4.155 3.558 ( 8.774 3.059 -6.310) 11.232 3.558 ( 8.774 3.059 6.310) 11.232 3.965 ( 5.749 10.961 -8.479) 15.003 3.965 ( 5.749 10.961 8.479) 15.003 4.073 ( -5.051 8.180 -1.886) 9.797 4.073 ( -5.051 8.180 1.886) 9.797 4.364 ( -0.891 2.570 -5.431) 6.074 4.364 ( -0.891 2.570 5.431) 6.074 4.508 ( -3.537 2.800 -7.188) 8.486 4.508 ( -3.537 2.800 7.188) 8.486 4.738 ( -2.978 -3.096 -1.479) 4.543 4.738 ( -2.978 -3.096 1.479) 4.543 5.026 ( -6.416 -3.534 -6.780) 9.981 5.026 ( -6.416 -3.534 6.780) 9.981 5.182 ( -3.027 -2.423 -4.454) 5.905 5.182 ( -3.027 -2.423 4.454) 5.905 5.553 ( -1.296 -0.960 -5.680) 5.905 5.553 ( -1.296 -0.960 5.680) 5.905 5.651 ( 7.239 -2.365 -5.236) 9.242 5.651 ( 7.239 -2.365 5.236) 9.242 5.871 ( -3.834 2.212 -9.593) 10.565 5.871 ( -3.834 2.212 9.593) 10.565 6.024 ( 5.272 -1.856 -4.900) 7.433 6.024 ( 5.272 -1.856 4.900) 7.433 6.161 ( -2.791 -3.226 -12.319) 13.036 6.161 ( -2.791 -3.226 12.319) 13.036 6.367 ( -1.439 -1.878 -6.128) 6.569 6.367 ( -1.439 -1.878 6.128) 6.569 6.802 ( -7.794 -3.385 -13.171) 15.674 6.802 ( -7.794 -3.385 13.171) 15.674 7.251 ( -0.842 1.560 -3.787) 4.182 7.251 ( -0.842 1.560 3.787) 4.182 7.512 ( -1.791 -0.730 -9.294) 9.493 7.512 ( -1.791 -0.730 9.294) 9.493 7.958 ( 0.169 -0.945 -4.496) 4.597 7.958 ( 0.169 -0.945 4.496) 4.597 8.184 ( 0.541 -2.964 -5.490) 6.263 8.184 ( 0.541 -2.964 5.490) 6.263 8.536 ( -6.508 -3.532 -6.748) 10.018 8.536 ( -6.508 -3.532 6.748) 10.018 8.856 ( -13.995 -2.509 -1.555) 14.303 8.856 ( -13.995 -2.509 1.555) 14.303 9.315 ( 7.978 -0.906 -10.190) 12.974 9.315 ( 7.978 -0.906 10.190) 12.974 10.016 ( 4.121 -2.451 -15.740) 16.454 10.016 ( 4.121 -2.451 15.740) 16.454 10.278 ( 7.753 -0.177 -7.559) 10.830 10.278 ( 7.753 -0.177 7.559) 10.830 10.875 ( -0.659 0.219 -3.686) 3.750 10.875 ( -0.659 0.219 3.686) 3.750 11.385 ( 6.082 0.799 -2.232) 6.527 11.385 ( 6.082 0.799 2.232) 6.527 12.322 ( -21.266 -0.733 -15.115) 26.100 12.322 ( -21.266 -0.733 15.115) 26.100 12.586 ( 6.913 0.483 -10.672) 12.724 12.586 ( 6.913 0.483 10.672) 12.724 13.165 ( 5.868 -2.021 -15.851) 17.023 13.165 ( 5.868 -2.021 15.851) 17.023 14.030 ( 4.026 1.080 -7.067) 8.205 14.030 ( 4.026 1.080 7.067) 8.205 14.273 ( 3.297 -1.912 -6.599) 7.620 14.273 ( 3.297 -1.912 6.599) 7.620 14.753 ( 1.739 -1.000 -13.819) 13.963 14.753 ( 1.739 -1.000 13.819) 13.963 14.969 ( -0.331 -3.206 -15.209) 15.547 14.969 ( -0.331 -3.206 15.209) 15.547 18.492 ( 4.692 0.285 -5.299) 7.083 18.492 ( 4.692 0.285 5.299) 7.083 19.164 ( -8.547 -1.174 -5.887) 10.445 19.164 ( -8.547 -1.174 5.887) 10.445 20.660 ( 1.310 -2.152 -17.664) 17.842 20.660 ( 1.310 -2.152 17.664) 17.842 21.027 ( -7.402 -0.621 -16.818) 18.385 21.027 ( -7.402 -0.621 16.818) 18.385 22.714 ( 3.240 0.963 -9.156) 9.760 22.714 ( 3.240 0.963 9.156) 9.760 22.870 ( 2.114 -2.862 -8.537) 9.249 22.870 ( 2.114 -2.862 8.537) 9.249 26.959 ( 3.549 -0.098 -2.915) 4.594 26.959 ( 3.549 -0.098 2.915) 4.594 27.260 ( -2.780 -0.302 -2.714) 3.898 27.260 ( -2.780 -0.302 2.714) 3.898 28.530 ( 11.282 -7.944 -18.626) 23.180 28.530 ( 11.282 -7.944 18.626) 23.180 29.071 ( 7.176 -0.269 -17.530) 18.944 29.071 ( 7.176 -0.269 17.530) 18.944 29.507 ( -9.679 -3.086 -7.957) 12.904 29.507 ( -9.679 -3.086 7.957) 12.904 29.828 ( -5.642 -1.740 -9.570) 11.245 29.828 ( -5.642 -1.740 9.570) 11.245 30.869 ( 3.247 -2.732 -3.075) 5.240 30.869 ( 3.247 -2.732 3.075) 5.240 31.321 ( -7.540 3.939 -3.605) 9.239 31.321 ( -7.540 3.939 3.605) 9.239 31.755 ( 5.428 9.215 -7.269) 12.932 31.755 ( 5.428 9.215 7.269) 12.932 32.157 ( -2.765 5.487 -18.277) 19.282 32.157 ( -2.765 5.487 18.277) 19.282 ======================= Grid point 169 (57/60) ======================= q-point: ( 0.40 0.33 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 7.709 9.439 -14.867) 19.224 2.115 ( 7.709 9.439 14.867) 19.224 2.277 ( -3.101 7.595 -8.030) 11.480 2.277 ( -3.101 7.595 8.030) 11.480 2.945 ( -1.696 16.114 -6.219) 17.355 2.945 ( -1.696 16.114 6.219) 17.355 3.271 ( 4.551 6.894 -10.945) 13.712 3.271 ( 4.551 6.894 10.945) 13.712 3.544 ( 8.226 1.998 -6.142) 10.458 3.544 ( 8.226 1.998 6.142) 10.458 3.662 ( -4.658 2.539 -4.871) 7.202 3.662 ( -4.658 2.539 4.871) 7.202 3.993 ( 4.669 6.527 -2.965) 8.555 3.993 ( 4.669 6.527 2.965) 8.555 4.157 ( -5.287 0.574 -3.611) 6.428 4.157 ( -5.287 0.574 3.611) 6.428 4.416 ( 13.204 6.023 -11.596) 18.576 4.416 ( 13.204 6.023 11.596) 18.576 4.563 ( 8.547 1.196 -2.667) 9.033 4.563 ( 8.547 1.196 2.667) 9.033 4.723 ( 3.341 -1.483 -5.592) 6.681 4.723 ( 3.341 -1.483 5.592) 6.681 4.905 ( -3.390 -1.233 -1.397) 3.868 4.905 ( -3.390 -1.233 1.397) 3.868 5.083 ( -1.527 -5.209 -5.796) 7.941 5.083 ( -1.527 -5.209 5.796) 7.941 5.402 ( -20.583 -0.721 -6.329) 21.546 5.402 ( -20.583 -0.721 6.329) 21.546 5.687 ( 4.609 0.568 -11.100) 12.033 5.687 ( 4.609 0.568 11.100) 12.033 5.848 ( -7.044 -3.007 -11.447) 13.773 5.848 ( -7.044 -3.007 11.447) 13.773 6.069 ( 5.334 0.120 -6.287) 8.245 6.069 ( 5.334 0.120 6.287) 8.245 6.170 ( 2.855 -2.296 -7.030) 7.928 6.170 ( 2.855 -2.296 7.030) 7.928 6.368 ( 2.523 -2.908 -4.328) 5.793 6.368 ( 2.523 -2.908 4.328) 5.793 6.546 ( -13.197 -3.009 -5.747) 14.705 6.546 ( -13.197 -3.009 5.747) 14.705 7.301 ( 4.648 0.822 -5.259) 7.067 7.301 ( 4.648 0.822 5.259) 7.067 7.451 ( -3.974 0.707 -7.745) 8.733 7.451 ( -3.974 0.707 7.745) 8.733 8.027 ( 5.846 -2.586 -4.603) 7.878 8.027 ( 5.846 -2.586 4.603) 7.878 8.168 ( -3.901 -4.434 -7.243) 9.345 8.168 ( -3.901 -4.434 7.243) 9.345 8.451 ( 1.604 -1.839 -6.116) 6.585 8.451 ( 1.604 -1.839 6.116) 6.585 8.600 ( -10.169 -3.216 -3.854) 11.341 8.600 ( -10.169 -3.216 3.854) 11.341 9.535 ( 12.070 -0.835 -13.142) 17.864 9.535 ( 12.070 -0.835 13.142) 17.864 9.824 ( -13.256 -1.588 -16.194) 20.988 9.824 ( -13.256 -1.588 16.194) 20.988 10.630 ( 15.394 -0.003 -4.110) 15.933 10.630 ( 15.394 -0.003 4.110) 15.933 10.833 ( -4.285 0.201 -2.061) 4.759 10.833 ( -4.285 0.201 2.061) 4.759 11.549 ( 10.556 1.240 -6.978) 12.714 11.549 ( 10.556 1.240 6.978) 12.714 11.875 ( -19.411 0.440 -13.799) 23.819 11.875 ( -19.411 0.440 13.799) 23.819 12.824 ( 13.786 -0.239 -15.570) 20.798 12.824 ( 13.786 -0.239 15.570) 20.798 13.106 ( -9.850 -1.093 -15.898) 18.734 13.106 ( -9.850 -1.093 15.898) 18.734 14.155 ( 5.691 1.174 -3.444) 6.755 14.155 ( 5.691 1.174 3.444) 6.755 14.307 ( -0.614 -0.571 -6.977) 7.027 14.307 ( -0.615 -0.571 6.977) 7.027 14.822 ( 4.079 -2.652 -8.502) 9.796 14.822 ( 4.079 -2.652 8.502) 9.796 14.939 ( -2.467 -3.913 -7.112) 8.484 14.939 ( -2.467 -3.913 7.112) 8.484 18.654 ( 10.480 -0.533 -7.654) 12.989 18.654 ( 10.480 -0.533 7.654) 12.989 18.924 ( -12.896 -1.338 -8.674) 15.599 18.924 ( -12.896 -1.338 8.674) 15.599 20.720 ( 4.611 -1.808 -22.018) 22.568 20.720 ( 4.611 -1.808 22.018) 22.568 20.855 ( -7.863 -1.211 -20.938) 22.399 20.855 ( -7.863 -1.211 20.938) 22.399 22.787 ( 2.724 0.939 -12.686) 13.009 22.787 ( 2.724 0.939 12.686) 13.009 22.896 ( 0.184 -1.885 -11.228) 11.387 22.896 ( 0.184 -1.885 11.228) 11.387 27.058 ( 5.463 -0.315 -3.722) 6.618 27.058 ( 5.463 -0.315 3.722) 6.618 27.174 ( -5.095 -0.486 -3.895) 6.432 27.174 ( -5.095 -0.486 3.895) 6.432 28.840 ( 16.393 -5.633 -7.913) 19.054 28.840 ( 16.393 -5.633 7.913) 19.054 29.173 ( -8.176 -2.124 -4.831) 9.732 29.173 ( -8.176 -2.124 4.831) 9.732 29.334 ( 3.055 -2.435 -7.507) 8.462 29.334 ( 3.055 -2.435 7.507) 8.462 29.650 ( -9.488 -4.517 -7.817) 13.097 29.650 ( -9.488 -4.517 7.817) 13.097 30.978 ( 6.789 -0.328 -3.687) 7.733 30.978 ( 6.789 -0.328 3.687) 7.733 31.146 ( -8.433 1.930 -2.785) 9.088 31.146 ( -8.433 1.930 2.785) 9.088 31.860 ( 3.517 10.693 -10.988) 15.730 31.860 ( 3.517 10.693 10.988) 15.730 32.092 ( -2.629 5.122 -14.259) 15.377 32.092 ( -2.629 5.122 14.259) 15.377 ======================= Grid point 175 (58/60) ======================= q-point: ( 0.00 0.44 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.000 -2.054 -0.150) 2.060 1.851 ( 0.000 -2.054 0.150) 2.060 2.376 ( 0.000 0.632 -2.681) 2.754 2.376 ( 0.000 0.632 2.681) 2.754 2.802 ( 0.000 3.508 -0.193) 3.513 2.802 ( 0.000 3.508 0.193) 3.513 3.107 ( 0.000 3.911 -4.031) 5.616 3.107 ( 0.000 3.911 4.031) 5.616 3.426 ( 0.000 1.491 -2.669) 3.057 3.426 ( 0.000 1.491 2.669) 3.057 3.551 ( 0.000 2.315 -5.211) 5.702 3.551 ( 0.000 2.315 5.211) 5.702 4.078 ( 0.000 4.001 -4.954) 6.368 4.078 ( 0.000 4.001 4.954) 6.368 4.240 ( 0.000 2.623 -1.580) 3.063 4.240 ( 0.000 2.623 1.580) 3.063 4.502 ( 0.000 5.409 -2.135) 5.815 4.502 ( 0.000 5.409 2.135) 5.815 4.579 ( 0.000 -1.429 -0.862) 1.669 4.579 ( 0.000 -1.429 0.862) 1.669 4.754 ( 0.000 -1.590 -5.376) 5.606 4.755 ( 0.000 -1.589 5.376) 5.606 5.095 ( 0.000 2.978 -4.844) 5.686 5.095 ( 0.000 2.978 4.844) 5.687 5.232 ( 0.000 -3.671 -6.700) 7.640 5.232 ( 0.000 -3.671 6.700) 7.640 5.310 ( 0.000 -2.224 -0.266) 2.240 5.310 ( 0.000 -2.224 0.266) 2.240 5.681 ( 0.000 -1.075 -9.841) 9.899 5.681 ( 0.000 -1.075 9.841) 9.899 5.829 ( 0.000 -0.001 -7.039) 7.039 5.829 ( 0.000 -0.001 7.039) 7.039 5.961 ( 0.000 -0.646 -13.567) 13.582 5.961 ( 0.000 -0.646 13.567) 13.582 6.181 ( 0.000 0.230 -10.027) 10.029 6.181 ( 0.000 0.230 10.027) 10.029 6.349 ( 0.000 -1.444 -4.634) 4.854 6.349 ( 0.000 -1.444 4.634) 4.854 6.831 ( 0.000 -0.887 -12.421) 12.452 6.831 ( 0.000 -0.887 12.421) 12.452 7.331 ( 0.000 2.260 -5.410) 5.863 7.331 ( 0.000 2.260 5.410) 5.863 7.515 ( 0.000 -0.230 -3.776) 3.783 7.515 ( 0.000 -0.230 3.776) 3.783 7.925 ( 0.000 -2.035 -5.890) 6.232 7.925 ( 0.000 -2.035 5.890) 6.232 8.156 ( 0.000 -1.099 -4.148) 4.292 8.156 ( 0.000 -1.099 4.148) 4.292 8.550 ( 0.000 -1.752 -5.324) 5.605 8.550 ( 0.000 -1.752 5.324) 5.605 9.086 ( 0.000 0.026 -4.749) 4.749 9.086 ( 0.000 0.026 4.749) 4.749 9.213 ( 0.000 -0.295 -8.475) 8.480 9.213 ( 0.000 -0.295 8.475) 8.480 9.717 ( 0.000 -1.699 -8.960) 9.120 9.717 ( 0.000 -1.699 8.960) 9.120 10.302 ( 0.000 -0.277 -7.518) 7.523 10.302 ( 0.000 -0.277 7.518) 7.523 10.882 ( 0.000 0.048 -4.188) 4.189 10.882 ( 0.000 0.048 4.188) 4.189 11.305 ( 0.000 -0.133 -3.134) 3.136 11.305 ( 0.000 -0.133 3.134) 3.136 12.520 ( 0.000 1.329 -5.148) 5.317 12.520 ( 0.000 1.329 5.148) 5.317 12.643 ( 0.000 -2.166 -8.421) 8.695 12.643 ( 0.000 -2.166 8.421) 8.695 12.960 ( 0.000 0.095 -5.864) 5.864 12.960 ( 0.000 0.095 5.864) 5.864 14.019 ( 0.000 0.831 -5.171) 5.237 14.019 ( 0.000 0.831 5.171) 5.237 14.184 ( 0.000 -1.342 -4.371) 4.572 14.184 ( 0.000 -1.342 4.371) 4.572 14.734 ( 0.000 -0.112 -16.860) 16.861 14.734 ( 0.000 -0.112 16.860) 16.861 14.937 ( 0.000 -0.728 -19.129) 19.143 14.937 ( 0.000 -0.728 19.129) 19.143 18.456 ( 0.000 0.332 -4.590) 4.602 18.456 ( 0.000 0.332 4.590) 4.602 19.242 ( 0.000 -0.412 -1.700) 1.749 19.242 ( 0.000 -0.412 1.700) 1.749 20.618 ( 0.000 -0.822 -12.686) 12.713 20.618 ( 0.000 -0.822 12.686) 12.713 21.110 ( 0.000 -0.157 -14.275) 14.276 21.110 ( 0.000 -0.157 14.275) 14.276 22.694 ( 0.000 0.756 -2.224) 2.349 22.694 ( 0.000 0.756 2.224) 2.349 22.786 ( 0.000 -1.660 -9.739) 9.879 22.786 ( 0.000 -1.660 9.739) 9.879 26.919 ( 0.000 -0.025 -2.462) 2.462 26.919 ( 0.000 -0.025 2.462) 2.462 27.288 ( 0.000 -0.013 -0.288) 0.288 27.288 ( 0.000 -0.013 0.288) 0.288 28.288 ( 0.000 -2.955 -26.089) 26.256 28.288 ( 0.000 -2.955 26.089) 26.256 29.000 ( 0.000 0.572 -22.359) 22.366 29.000 ( 0.000 0.572 22.359) 22.366 29.573 ( 0.000 -1.474 -4.451) 4.689 29.573 ( 0.000 -1.474 4.451) 4.689 29.882 ( 0.000 0.088 -6.230) 6.231 29.882 ( 0.000 0.088 6.230) 6.231 30.786 ( 0.000 -1.235 -0.920) 1.540 30.786 ( 0.000 -1.235 0.920) 1.540 31.485 ( 0.000 1.540 -5.502) 5.714 31.485 ( 0.000 1.540 5.502) 5.714 31.806 ( 0.000 3.629 -9.305) 9.987 31.806 ( 0.000 3.629 9.305) 9.987 32.250 ( 0.000 1.216 -19.662) 19.699 32.250 ( 0.000 1.216 19.662) 19.699 ======================= Grid point 177 (59/60) ======================= q-point: ( 0.20 0.44 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 11.676 0.299 -16.596) 20.294 1.989 ( 11.676 0.299 16.596) 20.294 2.357 ( 0.533 1.306 -3.398) 3.679 2.357 ( 0.533 1.306 3.398) 3.679 3.093 ( 11.011 6.935 -5.194) 14.011 3.093 ( 11.011 6.935 5.194) 14.011 3.175 ( 12.806 -1.387 -5.414) 13.972 3.175 ( 12.806 -1.387 5.414) 13.972 3.462 ( 2.531 5.212 -4.286) 7.207 3.462 ( 2.531 5.212 4.286) 7.207 3.591 ( 5.525 -0.539 -4.806) 7.343 3.591 ( 5.525 -0.539 4.806) 7.343 4.080 ( 2.925 2.156 -5.856) 6.892 4.080 ( 2.925 2.156 5.856) 6.892 4.262 ( -1.621 6.216 -2.196) 6.789 4.262 ( -1.621 6.216 2.196) 6.789 4.401 ( -4.587 3.271 -2.438) 6.138 4.401 ( -4.587 3.271 2.438) 6.138 4.532 ( -3.340 -1.404 -7.066) 7.941 4.532 ( -3.340 -1.404 7.066) 7.941 4.718 ( -2.997 0.021 -6.312) 6.987 4.718 ( -2.997 0.021 6.312) 6.987 4.937 ( -9.901 -3.221 -4.611) 11.387 4.937 ( -9.901 -3.221 4.611) 11.387 5.142 ( -2.401 -1.578 -4.092) 5.000 5.142 ( -2.401 -1.578 4.092) 5.000 5.534 ( -5.075 -0.469 -3.835) 6.378 5.534 ( -5.075 -0.469 3.835) 6.378 5.625 ( 14.553 -0.556 -7.020) 16.168 5.625 ( 14.553 -0.556 7.020) 16.168 5.917 ( -1.225 2.739 -10.048) 10.486 5.917 ( -1.225 2.739 10.048) 10.486 5.981 ( 3.305 -3.079 -4.839) 6.619 5.981 ( 3.305 -3.079 4.839) 6.619 6.128 ( -4.591 -0.104 -11.506) 12.388 6.128 ( -4.591 -0.104 11.506) 12.388 6.331 ( -1.346 -1.228 -6.420) 6.674 6.331 ( -1.346 -1.228 6.420) 6.674 6.753 ( -8.621 -1.360 -14.739) 17.129 6.753 ( -8.621 -1.360 14.739) 17.129 7.284 ( -1.929 1.252 -5.293) 5.771 7.284 ( -1.929 1.252 5.293) 5.771 7.505 ( -1.173 -0.066 -8.138) 8.223 7.505 ( -1.173 -0.066 8.138) 8.223 7.927 ( 1.075 -1.466 -6.205) 6.466 7.927 ( 1.075 -1.466 6.205) 6.466 8.139 ( -1.193 -1.304 -4.693) 5.015 8.139 ( -1.193 -1.304 4.693) 5.015 8.494 ( -4.477 -0.815 -8.294) 9.460 8.494 ( -4.477 -0.815 8.294) 9.460 8.813 ( -15.858 -1.401 -2.953) 16.191 8.813 ( -15.858 -1.401 2.953) 16.191 9.304 ( 8.014 -0.272 -10.737) 13.400 9.304 ( 8.014 -0.272 10.737) 13.400 9.978 ( 5.138 -1.091 -15.405) 16.276 9.978 ( 5.138 -1.091 15.405) 16.276 10.277 ( 7.929 0.006 -8.352) 11.516 10.277 ( 7.929 0.006 8.352) 11.516 10.878 ( -0.600 0.075 -3.767) 3.815 10.878 ( -0.600 0.075 3.767) 3.815 11.393 ( 6.728 0.125 -2.361) 7.131 11.393 ( 6.728 0.125 2.361) 7.131 12.314 ( -20.689 -0.159 -15.158) 25.647 12.314 ( -20.689 -0.159 15.158) 25.647 12.593 ( 6.869 0.172 -11.133) 13.082 12.593 ( 6.869 0.172 11.133) 13.082 13.138 ( 5.919 -0.715 -15.512) 16.618 13.138 ( 5.919 -0.715 15.512) 16.618 14.052 ( 3.944 0.820 -8.551) 9.453 14.052 ( 3.944 0.820 8.551) 9.453 14.239 ( 4.027 -1.174 -6.743) 7.941 14.239 ( 4.027 -1.174 6.743) 7.941 14.742 ( 1.013 -0.222 -14.937) 14.973 14.742 ( 1.013 -0.222 14.937) 14.973 14.927 ( -1.115 -1.036 -16.457) 16.528 14.927 ( -1.115 -1.036 16.457) 16.528 18.498 ( 4.267 0.228 -5.526) 6.986 18.498 ( 4.267 0.228 5.526) 6.986 19.147 ( -8.694 -0.462 -5.846) 10.487 19.147 ( -8.694 -0.462 5.846) 10.487 20.630 ( 1.435 -0.785 -17.664) 17.739 20.630 ( 1.435 -0.785 17.664) 17.739 21.018 ( -7.707 -0.255 -17.080) 18.740 21.018 ( -7.707 -0.255 17.080) 18.740 22.733 ( 3.323 0.783 -9.284) 9.892 22.733 ( 3.323 0.783 9.284) 9.892 22.824 ( 2.682 -1.483 -9.084) 9.587 22.824 ( 2.682 -1.483 9.084) 9.587 26.957 ( 3.442 -0.052 -2.911) 4.509 26.957 ( 3.442 -0.052 2.911) 4.509 27.256 ( -3.023 -0.119 -2.815) 4.133 27.256 ( -3.023 -0.119 2.815) 4.133 28.421 ( 12.062 -2.787 -21.161) 24.517 28.421 ( 12.062 -2.787 21.161) 24.517 29.083 ( 7.532 0.726 -18.600) 20.080 29.083 ( 7.532 0.726 18.600) 20.080 29.453 ( -10.617 -1.771 -7.456) 13.094 29.453 ( -10.617 -1.771 7.456) 13.094 29.809 ( -7.159 -0.395 -8.760) 11.320 29.809 ( -7.159 -0.395 8.760) 11.320 30.835 ( 4.675 -0.778 -3.156) 5.694 30.835 ( 4.675 -0.778 3.156) 5.694 31.373 ( -8.564 1.315 -3.235) 9.249 31.373 ( -8.564 1.315 3.235) 9.249 31.890 ( 6.073 3.724 -9.022) 11.496 31.890 ( 6.073 3.724 9.022) 11.496 32.221 ( -2.595 1.323 -18.196) 18.428 32.221 ( -2.595 1.323 18.196) 18.428 ======================= Grid point 179 (60/60) ======================= q-point: ( 0.40 0.44 -0.50) 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 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 10.441 3.744 -17.310) 20.559 2.251 ( 10.441 3.744 17.310) 20.559 2.374 ( -0.711 2.222 -6.395) 6.808 2.374 ( -0.711 2.222 6.395) 6.808 3.190 ( 2.811 7.111 -4.964) 9.116 3.190 ( 2.811 7.111 4.964) 9.116 3.335 ( 0.149 0.875 -9.946) 9.985 3.335 ( 0.149 0.875 9.946) 9.985 3.581 ( 6.429 2.468 -8.141) 10.663 3.581 ( 6.429 2.468 8.141) 10.663 3.663 ( -1.453 -2.403 -6.816) 7.372 3.663 ( -1.453 -2.403 6.816) 7.372 4.132 ( -2.637 4.886 -4.412) 7.091 4.132 ( -2.637 4.886 4.412) 7.091 4.216 ( -5.147 3.899 -8.256) 10.481 4.216 ( -5.147 3.899 8.256) 10.481 4.486 ( 9.114 1.738 -7.697) 12.055 4.486 ( 9.114 1.738 7.697) 12.055 4.566 ( 7.861 -0.782 -9.285) 12.191 4.566 ( 7.861 -0.782 9.285) 12.191 4.695 ( 10.304 -1.987 -8.316) 13.389 4.695 ( 10.304 -1.987 8.316) 13.389 4.894 ( 6.054 0.724 -3.705) 7.135 4.894 ( 6.054 0.724 3.705) 7.135 4.992 ( -7.932 -3.234 -3.409) 9.219 4.992 ( -7.932 -3.234 3.409) 9.219 5.394 ( -19.513 -0.145 -5.658) 20.318 5.394 ( -19.513 -0.145 5.658) 20.318 5.718 ( -2.578 2.605 -14.245) 14.709 5.718 ( -2.578 2.605 14.245) 14.709 5.782 ( -6.594 -3.509 -13.907) 15.786 5.782 ( -6.594 -3.509 13.907) 15.786 6.080 ( 9.026 0.345 -7.514) 11.750 6.080 ( 9.026 0.345 7.514) 11.750 6.143 ( 3.516 -0.184 -5.195) 6.275 6.143 ( 3.516 -0.184 5.195) 6.275 6.314 ( 1.147 -1.945 -6.078) 6.484 6.314 ( 1.147 -1.945 6.078) 6.484 6.493 ( -13.377 -1.745 -6.148) 14.826 6.493 ( -13.377 -1.745 6.148) 14.826 7.325 ( 4.793 1.221 -5.925) 7.718 7.325 ( 4.793 1.221 5.925) 7.718 7.449 ( -4.150 -0.636 -7.541) 8.631 7.449 ( -4.150 -0.636 7.541) 8.631 7.996 ( 5.123 -0.721 -7.431) 9.055 7.996 ( 5.123 -0.721 7.431) 9.055 8.103 ( -3.230 -1.844 -7.941) 8.769 8.103 ( -3.230 -1.844 7.941) 8.769 8.429 ( 0.492 -0.262 -7.123) 7.145 8.429 ( 0.492 -0.262 7.123) 7.145 8.544 ( -9.497 -1.943 -3.920) 10.456 8.544 ( -9.497 -1.943 3.920) 10.456 9.524 ( 12.205 -0.286 -13.155) 17.947 9.524 ( 12.205 -0.286 13.155) 17.947 9.801 ( -13.166 -0.636 -15.797) 20.574 9.801 ( -13.166 -0.636 15.797) 20.574 10.630 ( 15.640 0.008 -5.225) 16.490 10.630 ( 15.640 0.008 5.225) 16.490 10.835 ( -4.473 0.023 -2.538) 5.142 10.835 ( -4.473 0.023 2.538) 5.142 11.566 ( 10.648 0.447 -6.553) 12.511 11.566 ( 10.648 0.447 6.553) 12.511 11.883 ( -18.815 0.261 -12.974) 22.856 11.883 ( -18.815 0.261 12.974) 22.856 12.821 ( 13.526 -0.033 -15.875) 20.856 12.821 ( 13.526 -0.033 15.875) 20.856 13.089 ( -9.437 -0.517 -16.303) 18.844 13.089 ( -9.437 -0.517 16.303) 18.844 14.181 ( 6.518 1.094 -5.153) 8.381 14.181 ( 6.518 1.094 5.153) 8.381 14.286 ( -0.690 -1.058 -5.204) 5.355 14.286 ( -0.690 -1.058 5.204) 5.355 14.792 ( 3.625 -0.529 -8.451) 9.211 14.792 ( 3.625 -0.529 8.451) 9.211 14.882 ( -3.223 -1.667 -9.432) 10.106 14.882 ( -3.223 -1.667 9.432) 10.106 18.650 ( 10.090 -0.030 -7.683) 12.682 18.650 ( 10.090 -0.030 7.683) 12.682 18.906 ( -12.912 -0.480 -8.572) 15.505 18.906 ( -12.912 -0.480 8.572) 15.505 20.695 ( 4.930 -0.669 -22.005) 22.560 20.695 ( 4.930 -0.669 22.005) 22.560 20.838 ( -8.296 -0.472 -21.143) 22.717 20.838 ( -8.296 -0.472 21.143) 22.717 22.809 ( 2.966 1.033 -12.465) 12.855 22.809 ( 2.966 1.033 12.465) 12.855 22.860 ( 0.332 -1.415 -10.890) 10.987 22.860 ( 0.332 -1.415 10.890) 10.987 27.053 ( 5.318 -0.128 -3.701) 6.480 27.053 ( 5.318 -0.128 3.701) 6.480 27.167 ( -5.101 -0.200 -3.960) 6.461 27.167 ( -5.101 -0.200 3.960) 6.461 28.757 ( 18.396 -2.214 -12.247) 22.210 28.757 ( 18.396 -2.214 12.247) 22.210 29.143 ( -16.112 -0.826 -8.140) 18.071 29.143 ( -16.112 -0.826 8.140) 18.071 29.309 ( 11.117 -0.437 -11.057) 15.685 29.309 ( 11.117 -0.437 11.057) 15.685 29.591 ( -12.345 -1.426 -9.172) 15.446 29.591 ( -12.345 -1.426 9.172) 15.446 30.977 ( 8.337 0.062 -3.494) 9.039 30.977 ( 8.337 0.062 3.494) 9.040 31.173 ( -9.782 0.700 -2.554) 10.134 31.173 ( -9.782 0.700 2.554) 10.134 32.016 ( 5.266 4.542 -11.444) 13.391 32.016 ( 5.266 4.542 11.444) 13.391 32.148 ( -3.955 0.871 -14.695) 15.243 32.148 ( -3.955 0.871 14.695) 15.243 =================== 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 3/29160 10.0 397.888 463.634 613.047 0.000 0.000 0.000 3/29160 20.0 92.386 89.057 128.036 0.000 0.000 0.000 3/29160 30.0 34.721 33.052 45.450 0.000 0.000 0.000 3/29160 40.0 18.041 17.148 22.954 0.000 0.000 0.000 3/29160 50.0 11.376 10.746 14.218 0.000 0.000 0.000 3/29160 60.0 8.101 7.566 9.988 0.000 0.000 0.000 3/29160 70.0 6.252 5.750 7.617 0.000 0.000 0.000 3/29160 80.0 5.101 4.606 6.147 0.000 0.000 0.000 3/29160 90.0 4.333 3.832 5.165 0.000 0.000 0.000 3/29160 100.0 3.792 3.278 4.474 0.000 0.000 0.000 3/29160 110.0 3.394 2.866 3.965 0.000 0.000 0.000 3/29160 120.0 3.091 2.547 3.578 0.000 0.000 0.000 3/29160 130.0 2.853 2.294 3.275 0.000 0.000 0.000 3/29160 140.0 2.662 2.089 3.032 0.000 0.000 0.000 3/29160 150.0 2.504 1.920 2.833 0.000 0.000 0.000 3/29160 160.0 2.371 1.777 2.668 0.000 0.000 0.000 3/29160 170.0 2.257 1.656 2.527 0.000 0.000 0.000 3/29160 180.0 2.158 1.552 2.407 0.000 0.000 0.000 3/29160 190.0 2.071 1.461 2.302 0.000 0.000 0.000 3/29160 200.0 1.994 1.382 2.210 0.000 0.000 0.000 3/29160 210.0 1.925 1.312 2.128 0.000 0.000 0.000 3/29160 220.0 1.862 1.250 2.055 0.000 0.000 0.000 3/29160 230.0 1.805 1.194 1.989 0.000 0.000 0.000 3/29160 240.0 1.752 1.144 1.929 0.000 0.000 0.000 3/29160 250.0 1.703 1.099 1.873 0.000 0.000 0.000 3/29160 260.0 1.658 1.057 1.822 0.000 0.000 0.000 3/29160 270.0 1.616 1.020 1.775 0.000 0.000 0.000 3/29160 280.0 1.577 0.986 1.731 0.000 0.000 0.000 3/29160 290.0 1.540 0.954 1.690 0.000 0.000 0.000 3/29160 300.0 1.505 0.925 1.651 0.000 0.000 0.000 3/29160 310.0 1.472 0.898 1.614 0.000 0.000 0.000 3/29160 320.0 1.440 0.873 1.580 0.000 0.000 0.000 3/29160 330.0 1.410 0.849 1.547 0.000 0.000 0.000 3/29160 340.0 1.382 0.827 1.515 0.000 0.000 0.000 3/29160 350.0 1.355 0.806 1.486 0.000 0.000 0.000 3/29160 360.0 1.328 0.787 1.457 0.000 0.000 0.000 3/29160 370.0 1.303 0.769 1.430 0.000 0.000 0.000 3/29160 380.0 1.279 0.751 1.403 0.000 0.000 0.000 3/29160 390.0 1.256 0.735 1.378 0.000 0.000 0.000 3/29160 400.0 1.234 0.719 1.354 0.000 0.000 0.000 3/29160 410.0 1.212 0.704 1.330 0.000 0.000 0.000 3/29160 420.0 1.191 0.690 1.308 0.000 0.000 0.000 3/29160 430.0 1.171 0.677 1.286 0.000 0.000 0.000 3/29160 440.0 1.152 0.664 1.265 0.000 0.000 0.000 3/29160 450.0 1.133 0.651 1.244 0.000 0.000 0.000 3/29160 460.0 1.114 0.639 1.224 0.000 0.000 0.000 3/29160 470.0 1.097 0.628 1.205 0.000 0.000 0.000 3/29160 480.0 1.079 0.617 1.186 0.000 0.000 0.000 3/29160 490.0 1.063 0.606 1.168 0.000 0.000 0.000 3/29160 500.0 1.047 0.596 1.151 0.000 0.000 0.000 3/29160 510.0 1.031 0.586 1.134 0.000 0.000 0.000 3/29160 520.0 1.015 0.577 1.117 0.000 0.000 0.000 3/29160 530.0 1.001 0.567 1.101 0.000 0.000 0.000 3/29160 540.0 0.986 0.558 1.085 0.000 0.000 0.000 3/29160 550.0 0.972 0.550 1.070 0.000 0.000 0.000 3/29160 560.0 0.958 0.541 1.055 0.000 0.000 0.000 3/29160 570.0 0.945 0.533 1.040 0.000 0.000 0.000 3/29160 580.0 0.932 0.526 1.026 0.000 0.000 0.000 3/29160 590.0 0.919 0.518 1.012 0.000 0.000 0.000 3/29160 600.0 0.907 0.511 0.999 0.000 0.000 0.000 3/29160 610.0 0.895 0.503 0.986 0.000 0.000 0.000 3/29160 620.0 0.883 0.496 0.973 0.000 0.000 0.000 3/29160 630.0 0.871 0.490 0.960 0.000 0.000 0.000 3/29160 640.0 0.860 0.483 0.948 0.000 0.000 0.000 3/29160 650.0 0.849 0.477 0.936 0.000 0.000 0.000 3/29160 660.0 0.839 0.470 0.925 0.000 0.000 0.000 3/29160 670.0 0.828 0.464 0.913 0.000 0.000 0.000 3/29160 680.0 0.818 0.458 0.902 0.000 0.000 0.000 3/29160 690.0 0.808 0.452 0.891 0.000 0.000 0.000 3/29160 700.0 0.798 0.447 0.881 0.000 0.000 0.000 3/29160 710.0 0.789 0.441 0.870 0.000 0.000 0.000 3/29160 720.0 0.779 0.436 0.860 0.000 0.000 0.000 3/29160 730.0 0.770 0.431 0.850 0.000 0.000 0.000 3/29160 740.0 0.761 0.425 0.840 0.000 0.000 0.000 3/29160 750.0 0.753 0.420 0.831 0.000 0.000 0.000 3/29160 760.0 0.744 0.415 0.821 0.000 0.000 0.000 3/29160 770.0 0.736 0.411 0.812 0.000 0.000 0.000 3/29160 780.0 0.728 0.406 0.803 0.000 0.000 0.000 3/29160 790.0 0.719 0.401 0.795 0.000 0.000 0.000 3/29160 800.0 0.712 0.397 0.786 0.000 0.000 0.000 3/29160 810.0 0.704 0.393 0.778 0.000 0.000 0.000 3/29160 820.0 0.696 0.388 0.769 0.000 0.000 0.000 3/29160 830.0 0.689 0.384 0.761 0.000 0.000 0.000 3/29160 840.0 0.682 0.380 0.753 0.000 0.000 0.000 3/29160 850.0 0.675 0.376 0.746 0.000 0.000 0.000 3/29160 860.0 0.668 0.372 0.738 0.000 0.000 0.000 3/29160 870.0 0.661 0.368 0.730 0.000 0.000 0.000 3/29160 880.0 0.654 0.364 0.723 0.000 0.000 0.000 3/29160 890.0 0.648 0.361 0.716 0.000 0.000 0.000 3/29160 900.0 0.641 0.357 0.709 0.000 0.000 0.000 3/29160 910.0 0.635 0.353 0.702 0.000 0.000 0.000 3/29160 920.0 0.629 0.350 0.695 0.000 0.000 0.000 3/29160 930.0 0.623 0.346 0.688 0.000 0.000 0.000 3/29160 940.0 0.617 0.343 0.682 0.000 0.000 0.000 3/29160 950.0 0.611 0.340 0.675 0.000 0.000 0.000 3/29160 960.0 0.605 0.336 0.669 0.000 0.000 0.000 3/29160 970.0 0.599 0.333 0.663 0.000 0.000 0.000 3/29160 980.0 0.594 0.330 0.657 0.000 0.000 0.000 3/29160 990.0 0.588 0.327 0.651 0.000 0.000 0.000 3/29160 1000.0 0.583 0.324 0.645 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m596.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:43:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|