----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:39:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmme (67) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.973211024999999 -5.863390954999999 0.000000000000000 b 3.973211024999999 5.863390954999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.375553460000000 Atomic positions (fractional): *1 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 2 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 *3 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 4 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 *5 B 0.86324064953840 0.13675935046160 0.45708140106103 10.811 6 B 0.36324064953840 0.63675935046160 0.54291859893897 10.811 *7 B 0.25000000000000 0.25000000000000 0.50000000000000 10.811 8 B 0.63675935046160 0.36324064953840 0.45708140106103 10.811 9 B 0.13675935046160 0.86324064953840 0.54291859893897 10.811 10 B 0.75000000000000 0.75000000000000 0.50000000000000 10.811 *11 O 0.13193232257515 0.86806767742485 0.22319154386569 15.999 12 O 0.63193232257515 0.36806767742485 0.77680845613431 15.999 *13 O 0.27987167943762 0.42638688940620 0.70054653023500 15.999 14 O 0.57361311059380 0.72012832056238 0.70054653023500 15.999 15 O 0.22012832056238 0.07361311059380 0.70054653023500 15.999 16 O 0.72012832056238 0.57361311059380 0.29945346976500 15.999 17 O 0.92638688940620 0.77987167943762 0.70054653023500 15.999 18 O 0.86806767742485 0.13193232257515 0.77680845613431 15.999 19 O 0.42638688940620 0.27987167943762 0.29945346976500 15.999 *20 O 0.75000000000000 0.25000000000000 0.32671382674439 15.999 21 O 0.25000000000000 0.75000000000000 0.67328617325561 15.999 22 O 0.77987167943762 0.92638688940620 0.29945346976500 15.999 23 O 0.07361311059380 0.22012832056238 0.29945346976500 15.999 24 O 0.36806767742485 0.63193232257515 0.22319154386569 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.946422049999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.726781909999998 0.000000000000000 c 0.000000000000000 0.000000000000000 4.375553460000000 Atomic positions (fractional): *1 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 1 2 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 2 3 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 1 4 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 2 *5 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 3 6 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 4 7 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 3 8 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 4 *9 B 0.50000000000000 0.63675935046160 0.45708140106103 10.811 > 5 10 B 0.50000000000000 0.13675935046160 0.54291859893897 10.811 > 6 *11 B 0.25000000000000 0.00000000000000 0.50000000000000 10.811 > 7 12 B 0.50000000000000 0.86324064953840 0.45708140106103 10.811 > 8 13 B 0.50000000000000 0.36324064953840 0.54291859893897 10.811 > 9 14 B 0.75000000000000 0.00000000000000 0.50000000000000 10.811 > 10 15 B 0.00000000000000 0.13675935046160 0.45708140106103 10.811 > 5 16 B 0.00000000000000 0.63675935046160 0.54291859893897 10.811 > 6 17 B 0.75000000000000 0.50000000000000 0.50000000000000 10.811 > 7 18 B 0.00000000000000 0.36324064953840 0.45708140106103 10.811 > 8 19 B 0.00000000000000 0.86324064953840 0.54291859893897 10.811 > 9 20 B 0.25000000000000 0.50000000000000 0.50000000000000 10.811 > 10 *21 O 0.50000000000000 0.36806767742485 0.22319154386569 15.999 > 11 22 O 0.50000000000000 0.86806767742485 0.77680845613431 15.999 > 12 *23 O 0.35312928442191 0.07325760498429 0.70054653023500 15.999 > 13 24 O 0.64687071557809 0.07325760498429 0.70054653023500 15.999 > 14 25 O 0.14687071557809 0.92674239501571 0.70054653023500 15.999 > 15 26 O 0.64687071557809 0.92674239501571 0.29945346976500 15.999 > 16 27 O 0.85312928442191 0.92674239501571 0.70054653023500 15.999 > 17 28 O 0.50000000000000 0.63193232257515 0.77680845613431 15.999 > 18 29 O 0.35312928442191 0.92674239501571 0.29945346976500 15.999 > 19 *30 O 0.50000000000000 0.75000000000000 0.32671382674439 15.999 > 20 31 O 0.50000000000000 0.25000000000000 0.67328617325561 15.999 > 21 32 O 0.85312928442191 0.07325760498429 0.29945346976500 15.999 > 22 33 O 0.14687071557809 0.07325760498429 0.29945346976500 15.999 > 23 34 O 0.50000000000000 0.13193232257515 0.22319154386569 15.999 > 24 35 O 0.00000000000000 0.86806767742485 0.22319154386569 15.999 > 11 36 O 0.00000000000000 0.36806767742485 0.77680845613431 15.999 > 12 37 O 0.85312928442191 0.57325760498429 0.70054653023500 15.999 > 13 38 O 0.14687071557809 0.57325760498429 0.70054653023500 15.999 > 14 39 O 0.64687071557809 0.42674239501571 0.70054653023500 15.999 > 15 40 O 0.14687071557809 0.42674239501571 0.29945346976500 15.999 > 16 41 O 0.35312928442191 0.42674239501571 0.70054653023500 15.999 > 17 42 O 0.00000000000000 0.13193232257515 0.77680845613431 15.999 > 18 43 O 0.85312928442191 0.42674239501571 0.29945346976500 15.999 > 19 44 O 0.00000000000000 0.25000000000000 0.32671382674439 15.999 > 20 45 O 0.00000000000000 0.75000000000000 0.67328617325561 15.999 > 21 46 O 0.35312928442191 0.57325760498429 0.29945346976500 15.999 > 22 47 O 0.64687071557809 0.57325760498429 0.29945346976500 15.999 > 23 48 O 0.00000000000000 0.63193232257515 0.22319154386569 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.946422049999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.726781909999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.751106920000000 Atomic positions (fractional): *1 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 1 2 Ca 0.75000000000000 0.75000000000000 0.50000000000000 40.078 > 1 3 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 2 4 Ca 0.75000000000000 0.25000000000000 0.50000000000000 40.078 > 2 5 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 1 6 Ca 0.25000000000000 0.25000000000000 0.50000000000000 40.078 > 1 7 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 2 8 Ca 0.25000000000000 0.75000000000000 0.50000000000000 40.078 > 2 *9 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 3 10 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 3 11 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 4 12 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 4 13 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 3 14 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 3 15 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 4 16 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 4 *17 B 0.50000000000000 0.63675935046160 0.22854070053051 10.811 > 5 18 B 0.50000000000000 0.63675935046160 0.72854070053051 10.811 > 5 19 B 0.50000000000000 0.13675935046160 0.27145929946949 10.811 > 6 20 B 0.50000000000000 0.13675935046160 0.77145929946949 10.811 > 6 *21 B 0.25000000000000 0.00000000000000 0.25000000000000 10.811 > 7 22 B 0.25000000000000 0.00000000000000 0.75000000000000 10.811 > 7 23 B 0.50000000000000 0.86324064953840 0.22854070053051 10.811 > 8 24 B 0.50000000000000 0.86324064953840 0.72854070053051 10.811 > 8 25 B 0.50000000000000 0.36324064953840 0.27145929946949 10.811 > 9 26 B 0.50000000000000 0.36324064953840 0.77145929946949 10.811 > 9 27 B 0.75000000000000 0.00000000000000 0.25000000000000 10.811 > 10 28 B 0.75000000000000 0.00000000000000 0.75000000000000 10.811 > 10 29 B 0.00000000000000 0.13675935046160 0.22854070053051 10.811 > 5 30 B 0.00000000000000 0.13675935046160 0.72854070053051 10.811 > 5 31 B 0.00000000000000 0.63675935046160 0.27145929946949 10.811 > 6 32 B 0.00000000000000 0.63675935046160 0.77145929946949 10.811 > 6 33 B 0.75000000000000 0.50000000000000 0.25000000000000 10.811 > 7 34 B 0.75000000000000 0.50000000000000 0.75000000000000 10.811 > 7 35 B 0.00000000000000 0.36324064953840 0.22854070053051 10.811 > 8 36 B 0.00000000000000 0.36324064953840 0.72854070053051 10.811 > 8 37 B 0.00000000000000 0.86324064953840 0.27145929946949 10.811 > 9 38 B 0.00000000000000 0.86324064953840 0.77145929946949 10.811 > 9 39 B 0.25000000000000 0.50000000000000 0.25000000000000 10.811 > 10 40 B 0.25000000000000 0.50000000000000 0.75000000000000 10.811 > 10 *41 O 0.50000000000000 0.36806767742485 0.11159577193285 15.999 > 11 42 O 0.50000000000000 0.36806767742485 0.61159577193284 15.999 > 11 43 O 0.50000000000000 0.86806767742485 0.38840422806716 15.999 > 12 44 O 0.50000000000000 0.86806767742485 0.88840422806716 15.999 > 12 *45 O 0.35312928442191 0.07325760498429 0.35027326511750 15.999 > 13 46 O 0.35312928442191 0.07325760498429 0.85027326511750 15.999 > 13 47 O 0.64687071557809 0.07325760498429 0.35027326511750 15.999 > 14 48 O 0.64687071557809 0.07325760498429 0.85027326511750 15.999 > 14 49 O 0.14687071557809 0.92674239501571 0.35027326511750 15.999 > 15 50 O 0.14687071557809 0.92674239501571 0.85027326511750 15.999 > 15 51 O 0.64687071557809 0.92674239501571 0.14972673488250 15.999 > 16 52 O 0.64687071557809 0.92674239501571 0.64972673488250 15.999 > 16 53 O 0.85312928442191 0.92674239501571 0.35027326511750 15.999 > 17 54 O 0.85312928442191 0.92674239501571 0.85027326511750 15.999 > 17 55 O 0.50000000000000 0.63193232257515 0.38840422806716 15.999 > 18 56 O 0.50000000000000 0.63193232257515 0.88840422806716 15.999 > 18 57 O 0.35312928442191 0.92674239501571 0.14972673488250 15.999 > 19 58 O 0.35312928442191 0.92674239501571 0.64972673488250 15.999 > 19 *59 O 0.50000000000000 0.75000000000000 0.16335691337219 15.999 > 20 60 O 0.50000000000000 0.75000000000000 0.66335691337219 15.999 > 20 61 O 0.50000000000000 0.25000000000000 0.33664308662781 15.999 > 21 62 O 0.50000000000000 0.25000000000000 0.83664308662781 15.999 > 21 63 O 0.85312928442191 0.07325760498429 0.14972673488250 15.999 > 22 64 O 0.85312928442191 0.07325760498429 0.64972673488250 15.999 > 22 65 O 0.14687071557809 0.07325760498429 0.14972673488250 15.999 > 23 66 O 0.14687071557809 0.07325760498429 0.64972673488250 15.999 > 23 67 O 0.50000000000000 0.13193232257515 0.11159577193285 15.999 > 24 68 O 0.50000000000000 0.13193232257515 0.61159577193284 15.999 > 24 69 O 0.00000000000000 0.86806767742485 0.11159577193285 15.999 > 11 70 O 0.00000000000000 0.86806767742485 0.61159577193284 15.999 > 11 71 O 0.00000000000000 0.36806767742485 0.38840422806716 15.999 > 12 72 O 0.00000000000000 0.36806767742485 0.88840422806716 15.999 > 12 73 O 0.85312928442191 0.57325760498429 0.35027326511750 15.999 > 13 74 O 0.85312928442191 0.57325760498429 0.85027326511750 15.999 > 13 75 O 0.14687071557809 0.57325760498429 0.35027326511750 15.999 > 14 76 O 0.14687071557809 0.57325760498429 0.85027326511750 15.999 > 14 77 O 0.64687071557809 0.42674239501571 0.35027326511750 15.999 > 15 78 O 0.64687071557809 0.42674239501571 0.85027326511750 15.999 > 15 79 O 0.14687071557809 0.42674239501571 0.14972673488250 15.999 > 16 80 O 0.14687071557809 0.42674239501571 0.64972673488250 15.999 > 16 81 O 0.35312928442191 0.42674239501571 0.35027326511750 15.999 > 17 82 O 0.35312928442191 0.42674239501571 0.85027326511750 15.999 > 17 83 O 0.00000000000000 0.13193232257515 0.38840422806716 15.999 > 18 84 O 0.00000000000000 0.13193232257515 0.88840422806716 15.999 > 18 85 O 0.85312928442191 0.42674239501571 0.14972673488250 15.999 > 19 86 O 0.85312928442191 0.42674239501571 0.64972673488250 15.999 > 19 87 O 0.00000000000000 0.25000000000000 0.16335691337219 15.999 > 20 88 O 0.00000000000000 0.25000000000000 0.66335691337219 15.999 > 20 89 O 0.00000000000000 0.75000000000000 0.33664308662781 15.999 > 21 90 O 0.00000000000000 0.75000000000000 0.83664308662781 15.999 > 21 91 O 0.35312928442191 0.57325760498429 0.14972673488250 15.999 > 22 92 O 0.35312928442191 0.57325760498429 0.64972673488250 15.999 > 22 93 O 0.64687071557809 0.57325760498429 0.14972673488250 15.999 > 23 94 O 0.64687071557809 0.57325760498429 0.64972673488250 15.999 > 23 95 O 0.00000000000000 0.63193232257515 0.11159577193285 15.999 > 24 96 O 0.00000000000000 0.63193232257515 0.61159577193284 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1867619 0.0000000 0.0000000 0.0000000 3.2089332 0.0000000 0.0000000 0.0000000 3.1713848 -------------------------- Born effective charges -------------------------- 1 Ca 2.8040013 0.0000000 -0.1186279 0.0000000 2.6394593 0.0000000 -0.0535486 0.0000000 2.3402117 2 Ca 2.8040013 0.0000000 0.1186279 0.0000000 2.6394593 0.0000000 0.0535486 0.0000000 2.3402117 3 Al 2.5707782 0.0000000 0.0000000 0.0000000 2.7897857 -0.0862814 0.0000000 -0.0413687 3.4740695 4 Al 2.5707782 0.0000000 0.0000000 0.0000000 2.7897857 0.0862814 0.0000000 0.0413687 3.4740695 5 B 2.0400359 0.0000000 0.0000000 0.0000000 2.6340906 -0.0358338 0.0000000 -0.0079899 2.4111364 6 B 2.0400359 0.0000000 0.0000000 0.0000000 2.6340906 0.0358338 0.0000000 0.0079899 2.4111364 7 B 2.7302493 0.0000000 0.0000000 0.0000000 2.2566483 0.0000000 0.0000000 0.0000000 2.1008434 8 B 2.0400359 0.0000000 0.0000000 0.0000000 2.6340906 0.0358338 0.0000000 0.0079899 2.4111364 9 B 2.0400359 0.0000000 0.0000000 0.0000000 2.6340906 -0.0358338 0.0000000 -0.0079899 2.4111364 10 B 2.7302493 0.0000000 0.0000000 0.0000000 2.2566483 0.0000000 0.0000000 0.0000000 2.1008434 11 O -1.4072224 0.0000000 0.0000000 0.0000000 -1.6405687 0.1210133 0.0000000 0.1089273 -2.3190181 12 O -1.4072224 0.0000000 0.0000000 0.0000000 -1.6405687 -0.1210133 0.0000000 -0.1089273 -2.3190181 13 O -2.0075628 -0.3995139 -0.1182085 -0.3996537 -1.7396452 -0.0451671 -0.0911892 -0.1074172 -1.6613665 14 O -2.0075628 0.3995139 0.1182085 0.3996537 -1.7396452 -0.0451671 0.0911892 -0.1074172 -1.6613665 15 O -2.0075628 -0.3995139 0.1182085 -0.3996537 -1.7396452 0.0451671 0.0911892 0.1074172 -1.6613665 16 O -2.0075628 -0.3995139 -0.1182085 -0.3996537 -1.7396452 -0.0451671 -0.0911892 -0.1074172 -1.6613665 17 O -2.0075628 0.3995139 -0.1182085 0.3996537 -1.7396452 0.0451671 -0.0911892 0.1074172 -1.6613665 18 O -1.4072224 0.0000000 0.0000000 0.0000000 -1.6405687 0.1210133 0.0000000 0.1089273 -2.3190181 19 O -2.0075628 0.3995139 0.1182085 0.3996537 -1.7396452 -0.0451671 0.0911892 -0.1074172 -1.6613665 20 O -1.3404044 0.0000000 0.0000000 0.0000000 -2.7143564 0.0000000 0.0000000 0.0000000 -1.4538952 21 O -1.3404044 0.0000000 0.0000000 0.0000000 -2.7143564 0.0000000 0.0000000 0.0000000 -1.4538952 22 O -2.0075628 -0.3995139 0.1182085 -0.3996537 -1.7396452 0.0451671 0.0911892 0.1074172 -1.6613665 23 O -2.0075628 0.3995139 -0.1182085 0.3996537 -1.7396452 0.0451671 -0.0911892 0.1074172 -1.6613665 24 O -1.4072224 0.0000000 0.0000000 0.0000000 -1.6405687 -0.1210133 0.0000000 -0.1089273 -2.3190181 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12600/12600 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1504 Number of blocks in projector: 1504 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 208 Use standard eigh solver. Tree of FC basis block matrices: - (1504, 1469), data: False |-- (208, 206), data: True |-- (224, 220), data: True |-- (240, 233), data: True |-- (240, 233), data: True |-- (240, 233), data: True |-- (352, 344), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.694 Solver_block: 200 / 400 - Time: 1.696 Solver_block: 300 / 400 - Time: 1.694 Solver_block: 400 / 400 - Time: 1.696 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.813 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 12600/12600 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1504 Number of blocks in projector: 1504 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: 352 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 208 Use standard eigh solver. Tree of FC basis block matrices: - (1504, 1469), data: False |-- (208, 206), data: True |-- (224, 220), data: True |-- (240, 233), data: True |-- (240, 233), data: True |-- (240, 233), data: True |-- (352, 344), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:40:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:40:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmme (67) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.973211024999999 -5.863390954999999 0.000000000000000 b 3.973211024999999 5.863390954999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.375553460000000 Atomic positions (fractional): 1 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 2 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 3 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 4 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 5 B 0.86324064953840 0.13675935046160 0.45708140106103 10.811 6 B 0.36324064953840 0.63675935046160 0.54291859893897 10.811 7 B 0.25000000000000 0.25000000000000 0.50000000000000 10.811 8 B 0.63675935046160 0.36324064953840 0.45708140106103 10.811 9 B 0.13675935046160 0.86324064953840 0.54291859893897 10.811 10 B 0.75000000000000 0.75000000000000 0.50000000000000 10.811 11 O 0.13193232257515 0.86806767742485 0.22319154386569 15.999 12 O 0.63193232257515 0.36806767742485 0.77680845613431 15.999 13 O 0.27987167943762 0.42638688940620 0.70054653023500 15.999 14 O 0.57361311059380 0.72012832056238 0.70054653023500 15.999 15 O 0.22012832056238 0.07361311059380 0.70054653023500 15.999 16 O 0.72012832056238 0.57361311059380 0.29945346976500 15.999 17 O 0.92638688940620 0.77987167943762 0.70054653023500 15.999 18 O 0.86806767742485 0.13193232257515 0.77680845613431 15.999 19 O 0.42638688940620 0.27987167943762 0.29945346976500 15.999 20 O 0.75000000000000 0.25000000000000 0.32671382674439 15.999 21 O 0.25000000000000 0.75000000000000 0.67328617325561 15.999 22 O 0.77987167943762 0.92638688940620 0.29945346976500 15.999 23 O 0.07361311059380 0.22012832056238 0.29945346976500 15.999 24 O 0.36806767742485 0.63193232257515 0.22319154386569 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.946422049999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.726781909999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.751106920000000 Atomic positions (fractional): 1 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 1 2 Ca 0.75000000000000 0.75000000000000 0.50000000000000 40.078 > 1 3 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 3 4 Ca 0.75000000000000 0.25000000000000 0.50000000000000 40.078 > 3 5 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 1 6 Ca 0.25000000000000 0.25000000000000 0.50000000000000 40.078 > 1 7 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 3 8 Ca 0.25000000000000 0.75000000000000 0.50000000000000 40.078 > 3 9 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 9 10 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 9 11 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 11 12 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 11 13 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 9 14 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 9 15 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 11 16 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 11 17 B 0.50000000000000 0.63675935046160 0.22854070053051 10.811 > 17 18 B 0.50000000000000 0.63675935046160 0.72854070053051 10.811 > 17 19 B 0.50000000000000 0.13675935046160 0.27145929946949 10.811 > 19 20 B 0.50000000000000 0.13675935046160 0.77145929946949 10.811 > 19 21 B 0.25000000000000 0.00000000000000 0.25000000000000 10.811 > 21 22 B 0.25000000000000 0.00000000000000 0.75000000000000 10.811 > 21 23 B 0.50000000000000 0.86324064953840 0.22854070053051 10.811 > 23 24 B 0.50000000000000 0.86324064953840 0.72854070053051 10.811 > 23 25 B 0.50000000000000 0.36324064953840 0.27145929946949 10.811 > 25 26 B 0.50000000000000 0.36324064953840 0.77145929946949 10.811 > 25 27 B 0.75000000000000 0.00000000000000 0.25000000000000 10.811 > 27 28 B 0.75000000000000 0.00000000000000 0.75000000000000 10.811 > 27 29 B 0.00000000000000 0.13675935046160 0.22854070053051 10.811 > 17 30 B 0.00000000000000 0.13675935046160 0.72854070053051 10.811 > 17 31 B 0.00000000000000 0.63675935046160 0.27145929946949 10.811 > 19 32 B 0.00000000000000 0.63675935046160 0.77145929946949 10.811 > 19 33 B 0.75000000000000 0.50000000000000 0.25000000000000 10.811 > 21 34 B 0.75000000000000 0.50000000000000 0.75000000000000 10.811 > 21 35 B 0.00000000000000 0.36324064953840 0.22854070053051 10.811 > 23 36 B 0.00000000000000 0.36324064953840 0.72854070053051 10.811 > 23 37 B 0.00000000000000 0.86324064953840 0.27145929946949 10.811 > 25 38 B 0.00000000000000 0.86324064953840 0.77145929946949 10.811 > 25 39 B 0.25000000000000 0.50000000000000 0.25000000000000 10.811 > 27 40 B 0.25000000000000 0.50000000000000 0.75000000000000 10.811 > 27 41 O 0.50000000000000 0.36806767742485 0.11159577193285 15.999 > 41 42 O 0.50000000000000 0.36806767742485 0.61159577193284 15.999 > 41 43 O 0.50000000000000 0.86806767742485 0.38840422806716 15.999 > 43 44 O 0.50000000000000 0.86806767742485 0.88840422806716 15.999 > 43 45 O 0.35312928442191 0.07325760498429 0.35027326511750 15.999 > 45 46 O 0.35312928442191 0.07325760498429 0.85027326511750 15.999 > 45 47 O 0.64687071557809 0.07325760498429 0.35027326511750 15.999 > 47 48 O 0.64687071557809 0.07325760498429 0.85027326511750 15.999 > 47 49 O 0.14687071557809 0.92674239501571 0.35027326511750 15.999 > 49 50 O 0.14687071557809 0.92674239501571 0.85027326511750 15.999 > 49 51 O 0.64687071557809 0.92674239501571 0.14972673488250 15.999 > 51 52 O 0.64687071557809 0.92674239501571 0.64972673488250 15.999 > 51 53 O 0.85312928442191 0.92674239501571 0.35027326511750 15.999 > 53 54 O 0.85312928442191 0.92674239501571 0.85027326511750 15.999 > 53 55 O 0.50000000000000 0.63193232257515 0.38840422806716 15.999 > 55 56 O 0.50000000000000 0.63193232257515 0.88840422806716 15.999 > 55 57 O 0.35312928442191 0.92674239501571 0.14972673488250 15.999 > 57 58 O 0.35312928442191 0.92674239501571 0.64972673488250 15.999 > 57 59 O 0.50000000000000 0.75000000000000 0.16335691337219 15.999 > 59 60 O 0.50000000000000 0.75000000000000 0.66335691337219 15.999 > 59 61 O 0.50000000000000 0.25000000000000 0.33664308662781 15.999 > 61 62 O 0.50000000000000 0.25000000000000 0.83664308662781 15.999 > 61 63 O 0.85312928442191 0.07325760498429 0.14972673488250 15.999 > 63 64 O 0.85312928442191 0.07325760498429 0.64972673488250 15.999 > 63 65 O 0.14687071557809 0.07325760498429 0.14972673488250 15.999 > 65 66 O 0.14687071557809 0.07325760498429 0.64972673488250 15.999 > 65 67 O 0.50000000000000 0.13193232257515 0.11159577193285 15.999 > 67 68 O 0.50000000000000 0.13193232257515 0.61159577193284 15.999 > 67 69 O 0.00000000000000 0.86806767742485 0.11159577193285 15.999 > 41 70 O 0.00000000000000 0.86806767742485 0.61159577193284 15.999 > 41 71 O 0.00000000000000 0.36806767742485 0.38840422806716 15.999 > 43 72 O 0.00000000000000 0.36806767742485 0.88840422806716 15.999 > 43 73 O 0.85312928442191 0.57325760498429 0.35027326511750 15.999 > 45 74 O 0.85312928442191 0.57325760498429 0.85027326511750 15.999 > 45 75 O 0.14687071557809 0.57325760498429 0.35027326511750 15.999 > 47 76 O 0.14687071557809 0.57325760498429 0.85027326511750 15.999 > 47 77 O 0.64687071557809 0.42674239501571 0.35027326511750 15.999 > 49 78 O 0.64687071557809 0.42674239501571 0.85027326511750 15.999 > 49 79 O 0.14687071557809 0.42674239501571 0.14972673488250 15.999 > 51 80 O 0.14687071557809 0.42674239501571 0.64972673488250 15.999 > 51 81 O 0.35312928442191 0.42674239501571 0.35027326511750 15.999 > 53 82 O 0.35312928442191 0.42674239501571 0.85027326511750 15.999 > 53 83 O 0.00000000000000 0.13193232257515 0.38840422806716 15.999 > 55 84 O 0.00000000000000 0.13193232257515 0.88840422806716 15.999 > 55 85 O 0.85312928442191 0.42674239501571 0.14972673488250 15.999 > 57 86 O 0.85312928442191 0.42674239501571 0.64972673488250 15.999 > 57 87 O 0.00000000000000 0.25000000000000 0.16335691337219 15.999 > 59 88 O 0.00000000000000 0.25000000000000 0.66335691337219 15.999 > 59 89 O 0.00000000000000 0.75000000000000 0.33664308662781 15.999 > 61 90 O 0.00000000000000 0.75000000000000 0.83664308662781 15.999 > 61 91 O 0.35312928442191 0.57325760498429 0.14972673488250 15.999 > 63 92 O 0.35312928442191 0.57325760498429 0.64972673488250 15.999 > 63 93 O 0.64687071557809 0.57325760498429 0.14972673488250 15.999 > 65 94 O 0.64687071557809 0.57325760498429 0.64972673488250 15.999 > 65 95 O 0.00000000000000 0.63193232257515 0.11159577193285 15.999 > 67 96 O 0.00000000000000 0.63193232257515 0.61159577193284 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1867619 0.0000000 0.0000000 0.0000000 3.2089332 0.0000000 0.0000000 0.0000000 3.1713848 -------------------------- Born effective charges -------------------------- 1 Ca 2.8040013 0.0000000 -0.1186279 0.0000000 2.6394593 0.0000000 -0.0535486 0.0000000 2.3402117 2 Ca 2.8040013 0.0000000 0.1186279 0.0000000 2.6394593 0.0000000 0.0535486 0.0000000 2.3402117 3 Al 2.5707782 0.0000000 0.0000000 0.0000000 2.7897857 -0.0862814 0.0000000 -0.0413687 3.4740695 4 Al 2.5707782 0.0000000 0.0000000 0.0000000 2.7897857 0.0862814 0.0000000 0.0413687 3.4740695 5 B 2.0400359 0.0000000 0.0000000 0.0000000 2.6340906 -0.0358338 0.0000000 -0.0079899 2.4111364 6 B 2.0400359 0.0000000 0.0000000 0.0000000 2.6340906 0.0358338 0.0000000 0.0079899 2.4111364 7 B 2.7302493 0.0000000 0.0000000 0.0000000 2.2566483 0.0000000 0.0000000 0.0000000 2.1008434 8 B 2.0400359 0.0000000 0.0000000 0.0000000 2.6340906 0.0358338 0.0000000 0.0079899 2.4111364 9 B 2.0400359 0.0000000 0.0000000 0.0000000 2.6340906 -0.0358338 0.0000000 -0.0079899 2.4111364 10 B 2.7302493 0.0000000 0.0000000 0.0000000 2.2566483 0.0000000 0.0000000 0.0000000 2.1008434 11 O -1.4072224 0.0000000 0.0000000 0.0000000 -1.6405687 0.1210133 0.0000000 0.1089273 -2.3190181 12 O -1.4072224 0.0000000 0.0000000 0.0000000 -1.6405687 -0.1210133 0.0000000 -0.1089273 -2.3190181 13 O -2.0075628 -0.3995139 -0.1182085 -0.3996537 -1.7396452 -0.0451671 -0.0911892 -0.1074172 -1.6613665 14 O -2.0075628 0.3995139 0.1182085 0.3996537 -1.7396452 -0.0451671 0.0911892 -0.1074172 -1.6613665 15 O -2.0075628 -0.3995139 0.1182085 -0.3996537 -1.7396452 0.0451671 0.0911892 0.1074172 -1.6613665 16 O -2.0075628 -0.3995139 -0.1182085 -0.3996537 -1.7396452 -0.0451671 -0.0911892 -0.1074172 -1.6613665 17 O -2.0075628 0.3995139 -0.1182085 0.3996537 -1.7396452 0.0451671 -0.0911892 0.1074172 -1.6613665 18 O -1.4072224 0.0000000 0.0000000 0.0000000 -1.6405687 0.1210133 0.0000000 0.1089273 -2.3190181 19 O -2.0075628 0.3995139 0.1182085 0.3996537 -1.7396452 -0.0451671 0.0911892 -0.1074172 -1.6613665 20 O -1.3404044 0.0000000 0.0000000 0.0000000 -2.7143564 0.0000000 0.0000000 0.0000000 -1.4538952 21 O -1.3404044 0.0000000 0.0000000 0.0000000 -2.7143564 0.0000000 0.0000000 0.0000000 -1.4538952 22 O -2.0075628 -0.3995139 0.1182085 -0.3996537 -1.7396452 0.0451671 0.0911892 0.1074172 -1.6613665 23 O -2.0075628 0.3995139 -0.1182085 0.3996537 -1.7396452 0.0451671 -0.0911892 0.1074172 -1.6613665 24 O -1.4072224 0.0000000 0.0000000 0.0000000 -1.6405687 -0.1210133 0.0000000 -0.1089273 -2.3190181 ---------------------------------------------------------------------------- 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[ 9, 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, 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[ 41, 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[ 45, 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[ 59, 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: 0.00000007 (xxz) 0.00000007 (xxz) 0.00000007 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (xz) -0.00000005 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:40:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:40:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmme (67) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.973211024999999 -5.863390954999999 0.000000000000000 b 3.973211024999999 5.863390954999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.375553460000000 Atomic positions (fractional): 1 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 2 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 3 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 4 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 5 B 0.86324064953840 0.13675935046160 0.45708140106103 10.811 6 B 0.36324064953840 0.63675935046160 0.54291859893897 10.811 7 B 0.25000000000000 0.25000000000000 0.50000000000000 10.811 8 B 0.63675935046160 0.36324064953840 0.45708140106103 10.811 9 B 0.13675935046160 0.86324064953840 0.54291859893897 10.811 10 B 0.75000000000000 0.75000000000000 0.50000000000000 10.811 11 O 0.13193232257515 0.86806767742485 0.22319154386569 15.999 12 O 0.63193232257515 0.36806767742485 0.77680845613431 15.999 13 O 0.27987167943762 0.42638688940620 0.70054653023500 15.999 14 O 0.57361311059380 0.72012832056238 0.70054653023500 15.999 15 O 0.22012832056238 0.07361311059380 0.70054653023500 15.999 16 O 0.72012832056238 0.57361311059380 0.29945346976500 15.999 17 O 0.92638688940620 0.77987167943762 0.70054653023500 15.999 18 O 0.86806767742485 0.13193232257515 0.77680845613431 15.999 19 O 0.42638688940620 0.27987167943762 0.29945346976500 15.999 20 O 0.75000000000000 0.25000000000000 0.32671382674439 15.999 21 O 0.25000000000000 0.75000000000000 0.67328617325561 15.999 22 O 0.77987167943762 0.92638688940620 0.29945346976500 15.999 23 O 0.07361311059380 0.22012832056238 0.29945346976500 15.999 24 O 0.36806767742485 0.63193232257515 0.22319154386569 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.946422049999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.726781909999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.751106920000000 Atomic positions (fractional): 1 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 1 2 Ca 0.75000000000000 0.75000000000000 0.50000000000000 40.078 > 1 3 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 3 4 Ca 0.75000000000000 0.25000000000000 0.50000000000000 40.078 > 3 5 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 1 6 Ca 0.25000000000000 0.25000000000000 0.50000000000000 40.078 > 1 7 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 3 8 Ca 0.25000000000000 0.75000000000000 0.50000000000000 40.078 > 3 9 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 9 10 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 9 11 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 11 12 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 11 13 Al 0.00000000000000 0.50000000000000 0.00000000000000 26.982 > 9 14 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 9 15 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 11 16 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 11 17 B 0.50000000000000 0.63675935046160 0.22854070053051 10.811 > 17 18 B 0.50000000000000 0.63675935046160 0.72854070053051 10.811 > 17 19 B 0.50000000000000 0.13675935046160 0.27145929946949 10.811 > 19 20 B 0.50000000000000 0.13675935046160 0.77145929946949 10.811 > 19 21 B 0.25000000000000 0.00000000000000 0.25000000000000 10.811 > 21 22 B 0.25000000000000 0.00000000000000 0.75000000000000 10.811 > 21 23 B 0.50000000000000 0.86324064953840 0.22854070053051 10.811 > 23 24 B 0.50000000000000 0.86324064953840 0.72854070053051 10.811 > 23 25 B 0.50000000000000 0.36324064953840 0.27145929946949 10.811 > 25 26 B 0.50000000000000 0.36324064953840 0.77145929946949 10.811 > 25 27 B 0.75000000000000 0.00000000000000 0.25000000000000 10.811 > 27 28 B 0.75000000000000 0.00000000000000 0.75000000000000 10.811 > 27 29 B 0.00000000000000 0.13675935046160 0.22854070053051 10.811 > 17 30 B 0.00000000000000 0.13675935046160 0.72854070053051 10.811 > 17 31 B 0.00000000000000 0.63675935046160 0.27145929946949 10.811 > 19 32 B 0.00000000000000 0.63675935046160 0.77145929946949 10.811 > 19 33 B 0.75000000000000 0.50000000000000 0.25000000000000 10.811 > 21 34 B 0.75000000000000 0.50000000000000 0.75000000000000 10.811 > 21 35 B 0.00000000000000 0.36324064953840 0.22854070053051 10.811 > 23 36 B 0.00000000000000 0.36324064953840 0.72854070053051 10.811 > 23 37 B 0.00000000000000 0.86324064953840 0.27145929946949 10.811 > 25 38 B 0.00000000000000 0.86324064953840 0.77145929946949 10.811 > 25 39 B 0.25000000000000 0.50000000000000 0.25000000000000 10.811 > 27 40 B 0.25000000000000 0.50000000000000 0.75000000000000 10.811 > 27 41 O 0.50000000000000 0.36806767742485 0.11159577193285 15.999 > 41 42 O 0.50000000000000 0.36806767742485 0.61159577193284 15.999 > 41 43 O 0.50000000000000 0.86806767742485 0.38840422806716 15.999 > 43 44 O 0.50000000000000 0.86806767742485 0.88840422806716 15.999 > 43 45 O 0.35312928442191 0.07325760498429 0.35027326511750 15.999 > 45 46 O 0.35312928442191 0.07325760498429 0.85027326511750 15.999 > 45 47 O 0.64687071557809 0.07325760498429 0.35027326511750 15.999 > 47 48 O 0.64687071557809 0.07325760498429 0.85027326511750 15.999 > 47 49 O 0.14687071557809 0.92674239501571 0.35027326511750 15.999 > 49 50 O 0.14687071557809 0.92674239501571 0.85027326511750 15.999 > 49 51 O 0.64687071557809 0.92674239501571 0.14972673488250 15.999 > 51 52 O 0.64687071557809 0.92674239501571 0.64972673488250 15.999 > 51 53 O 0.85312928442191 0.92674239501571 0.35027326511750 15.999 > 53 54 O 0.85312928442191 0.92674239501571 0.85027326511750 15.999 > 53 55 O 0.50000000000000 0.63193232257515 0.38840422806716 15.999 > 55 56 O 0.50000000000000 0.63193232257515 0.88840422806716 15.999 > 55 57 O 0.35312928442191 0.92674239501571 0.14972673488250 15.999 > 57 58 O 0.35312928442191 0.92674239501571 0.64972673488250 15.999 > 57 59 O 0.50000000000000 0.75000000000000 0.16335691337219 15.999 > 59 60 O 0.50000000000000 0.75000000000000 0.66335691337219 15.999 > 59 61 O 0.50000000000000 0.25000000000000 0.33664308662781 15.999 > 61 62 O 0.50000000000000 0.25000000000000 0.83664308662781 15.999 > 61 63 O 0.85312928442191 0.07325760498429 0.14972673488250 15.999 > 63 64 O 0.85312928442191 0.07325760498429 0.64972673488250 15.999 > 63 65 O 0.14687071557809 0.07325760498429 0.14972673488250 15.999 > 65 66 O 0.14687071557809 0.07325760498429 0.64972673488250 15.999 > 65 67 O 0.50000000000000 0.13193232257515 0.11159577193285 15.999 > 67 68 O 0.50000000000000 0.13193232257515 0.61159577193284 15.999 > 67 69 O 0.00000000000000 0.86806767742485 0.11159577193285 15.999 > 41 70 O 0.00000000000000 0.86806767742485 0.61159577193284 15.999 > 41 71 O 0.00000000000000 0.36806767742485 0.38840422806716 15.999 > 43 72 O 0.00000000000000 0.36806767742485 0.88840422806716 15.999 > 43 73 O 0.85312928442191 0.57325760498429 0.35027326511750 15.999 > 45 74 O 0.85312928442191 0.57325760498429 0.85027326511750 15.999 > 45 75 O 0.14687071557809 0.57325760498429 0.35027326511750 15.999 > 47 76 O 0.14687071557809 0.57325760498429 0.85027326511750 15.999 > 47 77 O 0.64687071557809 0.42674239501571 0.35027326511750 15.999 > 49 78 O 0.64687071557809 0.42674239501571 0.85027326511750 15.999 > 49 79 O 0.14687071557809 0.42674239501571 0.14972673488250 15.999 > 51 80 O 0.14687071557809 0.42674239501571 0.64972673488250 15.999 > 51 81 O 0.35312928442191 0.42674239501571 0.35027326511750 15.999 > 53 82 O 0.35312928442191 0.42674239501571 0.85027326511750 15.999 > 53 83 O 0.00000000000000 0.13193232257515 0.38840422806716 15.999 > 55 84 O 0.00000000000000 0.13193232257515 0.88840422806716 15.999 > 55 85 O 0.85312928442191 0.42674239501571 0.14972673488250 15.999 > 57 86 O 0.85312928442191 0.42674239501571 0.64972673488250 15.999 > 57 87 O 0.00000000000000 0.25000000000000 0.16335691337219 15.999 > 59 88 O 0.00000000000000 0.25000000000000 0.66335691337219 15.999 > 59 89 O 0.00000000000000 0.75000000000000 0.33664308662781 15.999 > 61 90 O 0.00000000000000 0.75000000000000 0.83664308662781 15.999 > 61 91 O 0.35312928442191 0.57325760498429 0.14972673488250 15.999 > 63 92 O 0.35312928442191 0.57325760498429 0.64972673488250 15.999 > 63 93 O 0.64687071557809 0.57325760498429 0.14972673488250 15.999 > 65 94 O 0.64687071557809 0.57325760498429 0.64972673488250 15.999 > 65 95 O 0.00000000000000 0.63193232257515 0.11159577193285 15.999 > 67 96 O 0.00000000000000 0.63193232257515 0.61159577193284 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1867619 0.0000000 0.0000000 0.0000000 3.2089332 0.0000000 0.0000000 0.0000000 3.1713848 -------------------------- Born effective charges -------------------------- 1 Ca 2.8040013 0.0000000 -0.1186279 0.0000000 2.6394593 0.0000000 -0.0535486 0.0000000 2.3402117 2 Ca 2.8040013 0.0000000 0.1186279 0.0000000 2.6394593 0.0000000 0.0535486 0.0000000 2.3402117 3 Al 2.5707782 0.0000000 0.0000000 0.0000000 2.7897857 -0.0862814 0.0000000 -0.0413687 3.4740695 4 Al 2.5707782 0.0000000 0.0000000 0.0000000 2.7897857 0.0862814 0.0000000 0.0413687 3.4740695 5 B 2.0400359 0.0000000 0.0000000 0.0000000 2.6340906 -0.0358338 0.0000000 -0.0079899 2.4111364 6 B 2.0400359 0.0000000 0.0000000 0.0000000 2.6340906 0.0358338 0.0000000 0.0079899 2.4111364 7 B 2.7302493 0.0000000 0.0000000 0.0000000 2.2566483 0.0000000 0.0000000 0.0000000 2.1008434 8 B 2.0400359 0.0000000 0.0000000 0.0000000 2.6340906 0.0358338 0.0000000 0.0079899 2.4111364 9 B 2.0400359 0.0000000 0.0000000 0.0000000 2.6340906 -0.0358338 0.0000000 -0.0079899 2.4111364 10 B 2.7302493 0.0000000 0.0000000 0.0000000 2.2566483 0.0000000 0.0000000 0.0000000 2.1008434 11 O -1.4072224 0.0000000 0.0000000 0.0000000 -1.6405687 0.1210133 0.0000000 0.1089273 -2.3190181 12 O -1.4072224 0.0000000 0.0000000 0.0000000 -1.6405687 -0.1210133 0.0000000 -0.1089273 -2.3190181 13 O -2.0075628 -0.3995139 -0.1182085 -0.3996537 -1.7396452 -0.0451671 -0.0911892 -0.1074172 -1.6613665 14 O -2.0075628 0.3995139 0.1182085 0.3996537 -1.7396452 -0.0451671 0.0911892 -0.1074172 -1.6613665 15 O -2.0075628 -0.3995139 0.1182085 -0.3996537 -1.7396452 0.0451671 0.0911892 0.1074172 -1.6613665 16 O -2.0075628 -0.3995139 -0.1182085 -0.3996537 -1.7396452 -0.0451671 -0.0911892 -0.1074172 -1.6613665 17 O -2.0075628 0.3995139 -0.1182085 0.3996537 -1.7396452 0.0451671 -0.0911892 0.1074172 -1.6613665 18 O -1.4072224 0.0000000 0.0000000 0.0000000 -1.6405687 0.1210133 0.0000000 0.1089273 -2.3190181 19 O -2.0075628 0.3995139 0.1182085 0.3996537 -1.7396452 -0.0451671 0.0911892 -0.1074172 -1.6613665 20 O -1.3404044 0.0000000 0.0000000 0.0000000 -2.7143564 0.0000000 0.0000000 0.0000000 -1.4538952 21 O -1.3404044 0.0000000 0.0000000 0.0000000 -2.7143564 0.0000000 0.0000000 0.0000000 -1.4538952 22 O -2.0075628 -0.3995139 0.1182085 -0.3996537 -1.7396452 0.0451671 0.0911892 0.1074172 -1.6613665 23 O -2.0075628 0.3995139 -0.1182085 0.3996537 -1.7396452 0.0451671 -0.0911892 0.1074172 -1.6613665 24 O -1.4072224 0.0000000 0.0000000 0.0000000 -1.6405687 -0.1210133 0.0000000 -0.1089273 -2.3190181 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (xxz) 0.00000007 (xxz) 0.00000007 (xzx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 11 ] 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: 0.71, Number of G-points: 291, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 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 2.908 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 5.338 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 6.513 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 8.098 ( 0.000 0.000 0.000) 0.000 8.122 ( 0.000 0.000 0.000) 0.000 8.614 ( 0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 9.690 ( 0.000 0.000 0.000) 0.000 9.858 ( 0.000 0.000 0.000) 0.000 9.996 ( 0.000 0.000 0.000) 0.000 10.164 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 10.655 ( 0.000 0.000 0.000) 0.000 10.783 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.795 ( 0.000 0.000 0.000) 0.000 12.520 ( 0.000 0.000 0.000) 0.000 12.639 ( 0.000 0.000 0.000) 0.000 13.035 ( 0.000 0.000 0.000) 0.000 13.378 ( 0.000 0.000 0.000) 0.000 13.867 ( 0.000 0.000 0.000) 0.000 13.894 ( 0.000 0.000 0.000) 0.000 13.940 ( 0.000 0.000 0.000) 0.000 13.983 ( 0.000 0.000 0.000) 0.000 15.466 ( 0.000 0.000 0.000) 0.000 15.536 ( 0.000 0.000 0.000) 0.000 16.022 ( 0.000 0.000 0.000) 0.000 17.165 ( 0.000 0.000 0.000) 0.000 17.452 ( 0.000 0.000 0.000) 0.000 17.467 ( 0.000 0.000 0.000) 0.000 17.880 ( 0.000 0.000 0.000) 0.000 18.103 ( 0.000 0.000 0.000) 0.000 18.281 ( 0.000 0.000 0.000) 0.000 18.529 ( 0.000 0.000 0.000) 0.000 18.886 ( 0.000 0.000 0.000) 0.000 19.428 ( 0.000 0.000 0.000) 0.000 19.859 ( 0.000 0.000 0.000) 0.000 21.859 ( 0.000 0.000 0.000) 0.000 22.127 ( 0.000 0.000 0.000) 0.000 22.393 ( 0.000 0.000 0.000) 0.000 22.407 ( 0.000 0.000 0.000) 0.000 22.441 ( 0.000 0.000 0.000) 0.000 23.004 ( 0.000 0.000 0.000) 0.000 23.052 ( 0.000 0.000 0.000) 0.000 23.349 ( 0.000 0.000 0.000) 0.000 23.506 ( 0.000 0.000 0.000) 0.000 24.325 ( 0.000 0.000 0.000) 0.000 25.136 ( 0.000 0.000 0.000) 0.000 26.681 ( 0.000 0.000 0.000) 0.000 28.294 ( 0.000 0.000 0.000) 0.000 28.315 ( 0.000 0.000 0.000) 0.000 29.056 ( 0.000 0.000 0.000) 0.000 29.526 ( 0.000 0.000 0.000) 0.000 29.549 ( 0.000 0.000 0.000) 0.000 29.920 ( 0.000 0.000 0.000) 0.000 29.965 ( 0.000 0.000 0.000) 0.000 30.345 ( 0.000 0.000 0.000) 0.000 30.658 ( 0.000 0.000 0.000) 0.000 33.016 ( 0.000 0.000 0.000) 0.000 33.409 ( 0.000 0.000 0.000) 0.000 35.190 ( 0.000 0.000 0.000) 0.000 35.329 ( 0.000 0.000 0.000) 0.000 36.101 ( 0.000 0.000 0.000) 0.000 36.580 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 43.059 -34.782 0.000) 55.353 1.263 ( 46.652 -46.456 0.000) 65.837 1.841 ( 76.123 -55.032 0.000) 93.932 3.576 ( 30.967 38.438 0.000) 49.360 4.038 ( 8.550 -1.498 0.000) 8.680 4.204 ( 6.832 -20.808 0.000) 21.901 4.423 ( -0.270 -5.168 0.000) 5.175 5.487 ( -4.731 -12.382 0.000) 13.255 6.112 ( -20.185 -25.662 0.000) 32.649 6.497 ( -1.623 -0.011 0.000) 1.623 7.504 ( 7.612 7.176 0.000) 10.461 7.920 ( -33.982 9.711 0.000) 35.342 7.998 ( -13.856 -1.390 0.000) 13.925 8.363 ( 1.162 7.142 0.000) 7.236 8.666 ( -2.963 28.853 0.000) 29.005 9.804 ( -4.316 4.398 0.000) 6.162 9.838 ( 7.044 1.320 0.000) 7.167 10.243 ( -6.622 -21.748 0.000) 22.733 10.440 ( 4.760 -21.534 0.000) 22.054 10.732 ( 28.501 38.924 0.000) 48.243 10.743 ( -2.851 2.797 0.000) 3.994 10.909 ( 32.062 -2.450 0.000) 32.156 11.020 ( -0.384 -1.476 0.000) 1.525 11.863 ( 8.608 0.245 0.000) 8.612 12.324 ( -4.337 34.143 0.000) 34.418 12.567 ( 2.122 -5.256 0.000) 5.668 13.213 ( -0.123 -19.928 0.000) 19.929 13.287 ( -9.387 -3.612 0.000) 10.058 13.766 ( -5.649 12.204 0.000) 13.448 13.849 ( -8.012 0.524 0.000) 8.029 14.155 ( -5.228 -23.251 0.000) 23.832 14.248 ( 13.027 -28.254 0.000) 31.112 15.402 ( -5.262 5.740 0.000) 7.787 15.432 ( -11.336 8.106 0.000) 13.936 15.887 ( -8.877 2.973 0.000) 9.361 17.151 ( -9.738 5.488 0.000) 11.179 17.166 ( 9.196 13.497 0.000) 16.332 17.890 ( 6.861 0.299 0.000) 6.867 17.955 ( 28.094 -1.531 0.000) 28.136 18.059 ( -7.196 -0.702 0.000) 7.230 18.315 ( -2.973 20.023 0.000) 20.243 18.799 ( 4.104 14.396 0.000) 14.970 18.816 ( -9.759 -2.629 0.000) 10.107 19.534 ( -4.483 -19.258 0.000) 19.773 19.847 ( -6.476 -11.559 0.000) 13.250 21.721 ( -9.904 7.438 0.000) 12.386 21.964 ( -8.574 14.938 0.000) 17.223 22.397 ( -8.423 -7.536 0.000) 11.302 22.530 ( 4.372 -19.466 0.000) 19.951 23.061 ( 11.606 10.423 0.000) 15.599 23.175 ( 20.149 14.185 0.000) 24.642 23.226 ( 0.786 12.015 0.000) 12.041 23.514 ( 2.446 1.072 0.000) 2.671 24.369 ( -2.306 -10.006 0.000) 10.268 25.097 ( -6.123 -1.942 0.000) 6.424 25.551 ( 42.190 109.420 0.000) 117.272 26.943 ( 33.748 13.015 0.000) 36.170 28.296 ( -3.889 -2.021 0.000) 4.383 28.991 ( -13.721 -10.893 0.000) 17.519 29.375 ( -11.914 4.580 0.000) 12.764 29.486 ( -20.764 -47.250 0.000) 51.611 29.568 ( 0.602 -5.661 0.000) 5.693 30.175 ( 16.382 2.522 0.000) 16.575 30.427 ( 8.997 -9.960 0.000) 13.422 30.599 ( -4.993 3.225 0.000) 5.944 32.409 ( -5.767 -23.025 0.000) 23.736 33.042 ( -1.657 -7.136 0.000) 7.326 33.598 ( -18.449 -17.525 0.000) 25.446 35.303 ( -8.056 -9.043 0.000) 12.111 35.535 ( -25.602 -44.067 0.000) 50.965 36.071 ( 1.293 7.424 0.000) 7.536 36.510 ( -5.600 4.597 0.000) 7.245 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 40.818 -32.593 0.000) 52.234 2.418 ( 39.511 -40.633 0.000) 56.676 3.401 ( 41.940 -26.145 0.000) 49.422 3.798 ( 45.075 -1.918 0.000) 45.116 4.157 ( 6.053 4.634 0.000) 7.623 4.410 ( 1.382 -12.756 0.000) 12.831 4.744 ( 11.727 -28.064 0.000) 30.415 5.568 ( -3.161 -13.998 0.000) 14.351 6.057 ( -3.060 1.109 0.000) 3.254 6.483 ( -0.708 -2.120 0.000) 2.235 7.083 ( -44.074 18.869 0.000) 47.943 7.550 ( 6.416 6.282 0.000) 8.979 7.685 ( -28.294 -1.930 0.000) 28.359 8.240 ( -5.334 36.445 0.000) 36.833 8.478 ( 13.826 2.338 0.000) 14.023 9.620 ( -10.426 8.145 0.000) 13.230 9.882 ( -2.769 -9.190 0.000) 9.598 10.352 ( -10.623 -24.653 0.000) 26.844 10.644 ( -3.145 6.683 0.000) 7.386 10.706 ( 4.230 -7.939 0.000) 8.996 10.777 ( 15.525 17.777 0.000) 23.602 11.055 ( 2.148 -1.584 0.000) 2.668 11.602 ( 47.417 -1.611 0.000) 47.445 11.984 ( -3.771 9.956 0.000) 10.646 12.053 ( 15.661 -0.788 0.000) 15.681 12.678 ( 2.776 -6.364 0.000) 6.943 13.146 ( -11.857 -2.117 0.000) 12.045 13.436 ( -2.446 -21.897 0.000) 22.034 13.539 ( -4.436 14.430 0.000) 15.097 13.674 ( -6.503 6.321 0.000) 9.069 14.324 ( -1.206 -18.055 0.000) 18.095 14.750 ( 2.809 -22.431 0.000) 22.606 14.994 ( -30.450 -5.893 0.000) 31.015 15.191 ( -9.008 12.055 0.000) 15.049 15.830 ( 6.946 4.611 0.000) 8.337 17.019 ( 4.653 11.692 0.000) 12.584 17.155 ( 15.380 26.630 0.000) 30.752 17.866 ( -9.365 12.364 0.000) 15.510 17.907 ( -4.775 -4.078 0.000) 6.279 18.009 ( -16.233 5.991 0.000) 17.304 18.471 ( 32.240 2.308 0.000) 32.323 18.684 ( -10.407 -6.284 0.000) 12.157 18.711 ( 4.756 14.651 0.000) 15.404 19.564 ( -10.454 -9.930 0.000) 14.419 20.002 ( -3.046 -29.448 0.000) 29.605 21.394 ( -22.782 3.810 0.000) 23.098 21.727 ( 9.395 27.287 0.000) 28.859 22.268 ( -18.798 -7.660 0.000) 20.298 22.867 ( 6.562 -24.769 0.000) 25.624 22.984 ( 3.133 15.507 0.000) 15.820 23.261 ( 12.579 18.932 0.000) 22.730 23.330 ( 19.563 7.118 0.000) 20.818 23.595 ( 10.150 1.955 0.000) 10.336 24.432 ( -5.498 -12.654 0.000) 13.797 24.986 ( -9.804 -0.742 0.000) 9.833 25.009 ( -2.685 48.042 0.000) 48.117 27.332 ( 26.539 4.867 0.000) 26.981 28.231 ( -7.275 -2.151 0.000) 7.586 28.900 ( -10.118 -8.228 0.000) 13.041 29.153 ( -9.047 5.226 0.000) 10.448 29.658 ( 2.050 -7.203 0.000) 7.489 29.693 ( 3.134 -16.351 0.000) 16.648 30.268 ( 1.870 1.501 0.000) 2.398 30.447 ( -8.049 5.360 0.000) 9.671 30.900 ( 29.424 -13.877 0.000) 32.532 32.571 ( -1.992 -14.832 0.000) 14.965 33.109 ( -3.583 -12.660 0.000) 13.157 33.448 ( -6.476 7.718 0.000) 10.075 35.307 ( -5.506 -12.871 0.000) 14.000 35.611 ( -11.840 -25.335 0.000) 27.965 35.984 ( 2.239 14.137 0.000) 14.313 36.318 ( -9.264 8.585 0.000) 12.630 ======================= Grid point 3 (4/126) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 30.571 -26.507 0.000) 40.462 3.294 ( 26.569 -19.535 0.000) 32.978 3.700 ( 7.996 -3.836 0.000) 8.869 4.125 ( -1.188 6.555 0.000) 6.662 4.653 ( 12.366 -12.269 0.000) 17.419 4.944 ( 46.579 -20.341 0.000) 50.827 5.150 ( 6.488 -18.031 0.000) 19.163 5.648 ( -9.687 -11.300 0.000) 14.883 5.942 ( -4.657 11.775 0.000) 12.662 6.394 ( -6.626 10.608 0.000) 12.507 6.525 ( -0.727 -4.853 0.000) 4.907 7.163 ( -41.122 -3.765 0.000) 41.294 7.540 ( 1.410 7.609 0.000) 7.739 7.764 ( -6.261 32.245 0.000) 32.847 8.699 ( 15.111 -1.100 0.000) 15.150 9.320 ( -14.996 9.293 0.000) 17.642 10.016 ( 0.238 -20.193 0.000) 20.195 10.453 ( -10.990 -26.766 0.000) 28.934 10.500 ( -2.906 11.965 0.000) 12.313 10.720 ( 4.764 15.600 0.000) 16.311 10.837 ( 11.004 10.087 0.000) 14.927 11.020 ( -2.027 7.940 0.000) 8.195 12.086 ( 1.886 -26.611 0.000) 26.678 12.194 ( 26.657 6.212 0.000) 27.372 12.515 ( 39.992 -4.137 0.000) 40.205 12.732 ( 2.053 3.181 0.000) 3.785 12.914 ( -21.009 -3.041 0.000) 21.228 13.364 ( -2.442 5.403 0.000) 5.929 13.441 ( -3.146 6.306 0.000) 7.048 13.710 ( -4.199 -15.132 0.000) 15.704 14.294 ( -32.168 2.361 0.000) 32.254 14.462 ( -0.671 -3.786 0.000) 3.845 14.925 ( -6.484 6.690 0.000) 9.317 15.097 ( -4.974 -10.624 0.000) 11.730 16.051 ( 11.514 -20.543 0.000) 23.549 16.994 ( 7.981 42.424 0.000) 43.168 17.063 ( 18.350 13.457 0.000) 22.756 17.607 ( -13.992 1.279 0.000) 14.051 17.701 ( -10.470 5.618 0.000) 11.882 17.820 ( -13.896 -8.155 0.000) 16.112 18.598 ( -4.392 -5.094 0.000) 6.726 18.646 ( 3.947 10.431 0.000) 11.153 18.946 ( 26.158 1.436 0.000) 26.198 19.467 ( -13.584 -7.284 0.000) 15.414 20.304 ( 0.316 -29.609 0.000) 29.611 20.994 ( -15.316 13.423 0.000) 20.366 21.667 ( 15.482 21.001 0.000) 26.091 22.005 ( -23.320 -8.248 0.000) 24.736 22.939 ( 6.281 7.048 0.000) 9.441 23.111 ( -1.351 0.427 0.000) 1.417 23.323 ( 8.908 -13.033 0.000) 15.786 23.546 ( 17.143 10.247 0.000) 19.972 23.763 ( 14.292 3.162 0.000) 14.638 24.439 ( -17.503 1.559 0.000) 17.573 24.516 ( -0.649 12.499 0.000) 12.515 24.810 ( -10.581 3.140 0.000) 11.037 27.662 ( 18.910 0.428 0.000) 18.915 28.108 ( -10.229 -0.520 0.000) 10.242 28.859 ( -4.402 -5.829 0.000) 7.304 28.987 ( -5.230 4.784 0.000) 7.088 29.790 ( 4.367 -8.287 0.000) 9.368 29.906 ( 7.521 -6.176 0.000) 9.732 30.244 ( -2.174 2.323 0.000) 3.182 30.250 ( -8.736 5.324 0.000) 10.231 31.549 ( 32.353 -13.955 0.000) 35.234 32.555 ( -16.361 -4.665 0.000) 17.013 33.186 ( -6.131 -15.472 0.000) 16.643 33.289 ( 4.931 16.723 0.000) 17.435 35.417 ( -0.119 -16.050 0.000) 16.050 35.708 ( -6.826 -20.748 0.000) 21.843 35.839 ( 1.318 18.719 0.000) 18.765 36.064 ( -7.871 12.121 0.000) 14.452 ======================= Grid point 4 (5/126) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.484 ( 2.621 -14.835 0.000) 15.065 3.484 ( -2.621 14.835 0.000) 15.065 3.964 ( 5.299 -16.682 0.000) 17.504 3.964 ( -5.299 16.682 0.000) 17.504 5.106 ( 25.357 -15.955 0.000) 29.959 5.106 ( -25.357 15.955 0.000) 29.959 5.336 ( 3.989 -3.224 0.000) 5.129 5.336 ( -3.989 3.224 0.000) 5.129 6.346 ( -27.393 13.066 0.000) 30.349 6.346 ( 27.393 -13.066 0.000) 30.349 6.568 ( -31.516 -7.255 0.000) 32.340 6.568 ( 31.516 7.255 0.000) 32.340 7.496 ( -1.032 -6.304 0.000) 6.388 7.496 ( 1.032 6.304 0.000) 6.388 8.985 ( -15.922 6.534 0.000) 17.210 8.985 ( 15.922 -6.534 0.000) 17.210 10.278 ( 3.571 -19.911 0.000) 20.229 10.278 ( -3.571 19.911 0.000) 20.229 10.584 ( -9.400 -27.825 0.000) 29.370 10.584 ( 9.400 27.825 0.000) 29.370 10.911 ( -7.849 -3.415 0.000) 8.560 10.911 ( 7.849 3.415 0.000) 8.560 12.397 ( -5.754 -21.700 0.000) 22.450 12.397 ( 5.754 21.700 0.000) 22.450 12.626 ( -15.340 -8.180 0.000) 17.385 12.626 ( 15.340 8.180 0.000) 17.385 13.288 ( -33.250 5.241 0.000) 33.660 13.288 ( 33.250 -5.241 0.000) 33.660 13.373 ( 8.107 -7.646 0.000) 11.144 13.373 ( -8.107 7.646 0.000) 11.144 14.271 ( 3.351 -23.025 0.000) 23.268 14.271 ( -3.351 23.025 0.000) 23.268 14.981 ( 4.145 -11.525 0.000) 12.248 14.981 ( -4.145 11.525 0.000) 12.248 16.542 ( 4.994 -41.613 0.000) 41.912 16.542 ( -4.994 41.613 0.000) 41.912 17.298 ( -27.462 -11.619 0.000) 29.819 17.298 ( 27.462 11.619 0.000) 29.819 17.688 ( -14.584 -11.670 0.000) 18.679 17.688 ( 14.584 11.670 0.000) 18.679 18.608 ( -2.979 -6.989 0.000) 7.598 18.608 ( 2.979 6.989 0.000) 7.598 19.275 ( -19.401 -4.504 0.000) 19.916 19.275 ( 19.401 4.504 0.000) 19.916 20.633 ( 6.216 -22.795 0.000) 23.628 20.633 ( -6.216 22.795 0.000) 23.628 21.767 ( -20.622 -13.704 0.000) 24.760 21.767 ( 20.622 13.704 0.000) 24.760 23.011 ( -5.778 1.671 0.000) 6.015 23.011 ( 5.778 -1.671 0.000) 6.015 23.577 ( -3.760 -17.506 0.000) 17.906 23.577 ( 3.760 17.506 0.000) 17.906 24.020 ( -18.370 6.240 0.000) 19.401 24.020 ( 18.370 -6.240 0.000) 19.401 24.613 ( 6.380 -6.795 0.000) 9.321 24.613 ( -6.380 6.795 0.000) 9.321 27.919 ( -13.710 0.701 0.000) 13.727 27.919 ( 13.710 -0.701 0.000) 13.727 28.888 ( 0.854 -4.751 0.000) 4.827 28.888 ( -0.854 4.751 0.000) 4.827 29.954 ( 3.130 -7.862 0.000) 8.462 29.954 ( -3.130 7.862 0.000) 8.462 30.164 ( 1.654 -3.972 0.000) 4.302 30.164 ( -1.654 3.972 0.000) 4.302 32.161 ( -28.527 8.444 0.000) 29.750 32.161 ( 28.527 -8.444 0.000) 29.750 33.236 ( -8.707 -16.119 0.000) 18.320 33.236 ( 8.707 16.119 0.000) 18.320 35.627 ( 2.273 -18.426 0.000) 18.565 35.627 ( -2.273 18.426 0.000) 18.565 35.848 ( -0.538 -17.012 0.000) 17.021 35.848 ( 0.538 17.012 0.000) 17.021 ======================= Grid point 10 (6/126) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 52.451 0.000 0.000) 52.451 1.765 ( 54.612 0.000 0.000) 54.612 3.033 ( 83.994 0.000 0.000) 83.994 3.999 ( 11.860 0.000 0.000) 11.860 4.221 ( 7.172 0.000 0.000) 7.172 4.274 ( 14.721 0.000 0.000) 14.721 4.400 ( 8.529 0.000 0.000) 8.529 5.305 ( -1.523 -0.000 0.000) 1.523 6.100 ( 11.998 0.000 0.000) 11.998 6.461 ( -2.302 -0.000 0.000) 2.302 7.298 ( -47.588 -0.000 0.000) 47.588 7.644 ( 7.703 0.000 0.000) 7.703 7.661 ( -28.278 -0.000 0.000) 28.278 8.518 ( 13.099 0.000 0.000) 13.099 8.755 ( -6.871 -0.000 0.000) 6.871 9.717 ( -10.404 -0.000 0.000) 10.404 9.877 ( -5.539 -0.000 0.000) 5.539 9.953 ( -11.170 -0.000 0.000) 11.170 10.412 ( 8.191 0.000 0.000) 8.191 10.716 ( -2.116 -0.000 0.000) 2.116 11.006 ( 0.318 0.000 0.000) 0.318 11.056 ( 1.607 0.000 0.000) 1.607 11.582 ( 50.944 0.000 0.000) 50.944 12.052 ( 14.708 0.000 0.000) 14.708 12.419 ( -14.012 -0.000 0.000) 14.012 12.589 ( 4.045 0.000 0.000) 4.045 12.945 ( -6.845 -0.000 0.000) 6.845 13.190 ( -2.858 -0.000 0.000) 2.858 13.830 ( -1.787 -0.000 0.000) 1.787 13.891 ( -2.985 -0.000 0.000) 2.985 13.901 ( 1.260 0.000 0.000) 1.260 14.265 ( 10.649 0.000 0.000) 10.649 15.042 ( -38.012 -0.000 0.000) 38.012 15.328 ( -7.579 -0.000 0.000) 7.579 15.913 ( 7.047 0.000 0.000) 7.047 17.150 ( 4.281 0.000 0.000) 4.281 17.431 ( 14.576 0.000 0.000) 14.576 17.836 ( -18.774 -0.000 0.000) 18.774 17.857 ( -6.284 -0.000 0.000) 6.284 18.401 ( -5.993 -0.000 0.000) 5.993 18.497 ( 34.118 0.000 0.000) 34.118 18.612 ( -12.168 -0.000 0.000) 12.168 18.852 ( 0.909 0.000 0.000) 0.909 19.403 ( -1.615 -0.000 0.000) 1.615 19.587 ( -14.099 -0.000 0.000) 14.099 21.410 ( -22.927 -0.000 0.000) 22.927 22.161 ( -16.379 -0.000 0.000) 16.379 22.226 ( 13.081 0.000 0.000) 13.081 22.394 ( 1.498 0.000 0.000) 1.498 23.206 ( -3.505 -0.000 0.000) 3.505 23.412 ( 19.456 0.000 0.000) 19.456 23.533 ( -0.304 -0.000 0.000) 0.304 23.591 ( 18.943 0.000 0.000) 18.943 24.259 ( -4.439 -0.000 0.000) 4.439 24.964 ( -8.532 -0.000 0.000) 8.532 25.717 ( -40.613 -0.000 0.000) 40.613 28.185 ( -3.882 -0.000 0.000) 3.882 28.202 ( -6.159 -0.000 0.000) 6.159 28.228 ( 26.871 0.000 0.000) 26.871 29.239 ( -9.006 -0.000 0.000) 9.006 29.345 ( 13.554 0.000 0.000) 13.554 29.550 ( 2.290 0.000 0.000) 2.290 30.257 ( -1.782 -0.000 0.000) 1.782 30.503 ( -8.819 -0.000 0.000) 8.819 30.783 ( 35.367 0.000 0.000) 35.367 32.262 ( 7.174 0.000 0.000) 7.174 32.965 ( -3.229 -0.000 0.000) 3.229 33.523 ( 6.488 0.000 0.000) 6.488 35.078 ( -6.087 -0.000 0.000) 6.087 35.319 ( -0.597 -0.000 0.000) 0.597 36.142 ( 2.501 0.000 0.000) 2.501 36.407 ( -10.284 -0.000 0.000) 10.284 ======================= Grid point 11 (7/126) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 44.132 -12.063 0.000) 45.751 2.711 ( 45.383 -20.876 0.000) 49.954 3.809 ( 13.264 4.692 0.000) 14.070 4.208 ( -3.390 -0.305 0.000) 3.403 4.518 ( 20.325 2.696 0.000) 20.503 4.636 ( 66.187 -6.201 0.000) 66.477 4.790 ( 20.866 -13.767 0.000) 24.999 5.345 ( -1.123 -9.692 0.000) 9.757 6.275 ( 8.761 11.482 0.000) 14.442 6.451 ( 0.461 -1.807 0.000) 1.865 6.548 ( -33.939 2.340 0.000) 34.020 7.107 ( -42.758 -1.317 0.000) 42.779 7.748 ( 9.216 7.588 0.000) 11.937 8.476 ( -8.885 25.608 0.000) 27.105 8.722 ( 12.758 2.390 0.000) 12.980 9.472 ( -16.903 4.675 0.000) 17.538 9.725 ( -6.559 -3.436 0.000) 7.405 9.931 ( -11.371 -20.249 0.000) 23.224 10.610 ( 1.871 -11.452 0.000) 11.604 10.686 ( 0.645 2.175 0.000) 2.268 11.044 ( 3.695 6.949 0.000) 7.870 11.080 ( 7.017 -6.261 0.000) 9.404 12.061 ( -10.212 18.754 0.000) 21.354 12.298 ( 22.741 3.511 0.000) 23.010 12.419 ( 46.755 -3.411 0.000) 46.880 12.686 ( 5.333 -3.716 0.000) 6.500 12.827 ( -18.073 -5.825 0.000) 18.988 13.263 ( 2.398 -13.060 0.000) 13.279 13.668 ( -1.829 19.003 0.000) 19.091 13.726 ( -1.469 11.126 0.000) 11.223 14.129 ( 3.652 -20.134 0.000) 20.462 14.378 ( -41.569 2.763 0.000) 41.660 14.573 ( 7.087 -25.178 0.000) 26.156 15.164 ( -7.999 7.877 0.000) 11.226 16.011 ( 7.564 5.162 0.000) 9.157 17.273 ( 15.340 5.426 0.000) 16.271 17.477 ( -28.282 -3.834 0.000) 28.541 17.624 ( 15.966 10.752 0.000) 19.249 17.666 ( -20.402 -4.898 0.000) 20.982 18.132 ( -6.145 26.913 0.000) 27.606 18.491 ( -5.454 -3.266 0.000) 6.357 18.838 ( -1.155 5.631 0.000) 5.748 18.994 ( 29.614 1.675 0.000) 29.662 19.356 ( -7.734 -2.369 0.000) 8.089 19.580 ( -6.682 -31.324 0.000) 32.029 21.085 ( -17.758 -0.150 0.000) 17.759 21.858 ( -24.624 -4.462 0.000) 25.025 22.183 ( 12.040 25.451 0.000) 28.156 22.718 ( 9.186 -24.426 0.000) 26.096 23.128 ( 0.291 7.074 0.000) 7.080 23.441 ( -5.560 7.800 0.000) 9.579 23.717 ( 20.682 5.260 0.000) 21.341 23.801 ( 8.424 0.484 0.000) 8.438 24.210 ( -8.211 -8.610 0.000) 11.898 24.845 ( -6.229 0.547 0.000) 6.253 25.004 ( -33.226 15.429 0.000) 36.634 27.961 ( 14.888 24.710 0.000) 28.848 28.111 ( -5.325 0.330 0.000) 5.335 28.700 ( 6.766 -10.377 0.000) 12.389 29.098 ( -5.581 4.086 0.000) 6.917 29.633 ( 4.267 -5.049 0.000) 6.611 29.639 ( 10.106 -14.918 0.000) 18.019 30.223 ( -3.951 -2.160 0.000) 4.503 30.337 ( -10.326 2.307 0.000) 10.580 31.396 ( 39.721 -2.122 0.000) 39.778 32.421 ( 3.509 -5.780 0.000) 6.762 32.937 ( -4.951 -6.585 0.000) 8.239 33.583 ( 6.227 8.601 0.000) 10.618 35.059 ( -5.341 -13.127 0.000) 14.172 35.358 ( -1.192 -9.214 0.000) 9.291 36.135 ( -0.011 8.649 0.000) 8.649 36.218 ( -8.841 2.204 0.000) 9.112 ======================= Grid point 12 (8/126) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( 16.028 -11.487 0.000) 19.720 3.516 ( 29.010 -15.238 0.000) 32.768 3.834 ( 2.420 8.957 0.000) 9.278 4.220 ( 7.873 4.951 0.000) 9.300 4.853 ( 23.907 -3.339 0.000) 24.139 5.222 ( 17.687 -7.855 0.000) 19.353 5.320 ( 10.792 1.592 0.000) 10.909 5.455 ( -16.756 9.286 0.000) 19.157 6.015 ( 19.941 -12.161 0.000) 23.357 6.377 ( -50.442 -4.446 0.000) 50.638 6.508 ( 2.383 -0.526 0.000) 2.441 6.704 ( 31.196 3.905 0.000) 31.440 7.706 ( 1.909 18.942 0.000) 19.038 8.004 ( -8.772 33.041 0.000) 34.186 8.869 ( 7.730 -3.272 0.000) 8.394 9.118 ( -19.879 5.711 0.000) 20.683 9.821 ( 1.784 -19.254 0.000) 19.337 10.006 ( -8.700 -23.899 0.000) 25.434 10.595 ( -0.617 8.607 0.000) 8.629 10.701 ( -5.524 -5.959 0.000) 8.125 11.039 ( 4.324 5.938 0.000) 7.346 11.237 ( 7.402 12.886 0.000) 14.861 11.892 ( -0.648 -11.054 0.000) 11.073 12.528 ( -23.761 -3.673 0.000) 24.043 12.597 ( 20.629 3.981 0.000) 21.010 12.800 ( 6.622 -0.180 0.000) 6.624 13.167 ( 37.762 -6.200 0.000) 38.268 13.345 ( -17.949 -2.903 0.000) 18.183 13.451 ( 0.869 17.161 0.000) 17.183 13.596 ( -1.983 12.158 0.000) 12.319 13.839 ( -14.357 -11.831 0.000) 18.604 14.448 ( 13.209 -12.283 0.000) 18.038 14.925 ( -6.684 11.857 0.000) 13.611 14.929 ( 2.798 -21.654 0.000) 21.834 16.045 ( 1.773 -0.285 0.000) 1.796 17.051 ( -32.811 -9.237 0.000) 34.087 17.395 ( -22.344 -13.084 0.000) 25.893 17.523 ( 23.232 6.999 0.000) 24.263 17.523 ( -0.222 44.336 0.000) 44.337 17.888 ( 7.989 7.751 0.000) 11.131 18.471 ( -4.033 -5.104 0.000) 6.506 18.728 ( -4.594 4.149 0.000) 6.191 19.232 ( -10.199 0.685 0.000) 10.222 19.379 ( 23.049 4.249 0.000) 23.438 19.923 ( -0.369 -40.345 0.000) 40.346 20.862 ( -9.837 1.727 0.000) 9.988 21.528 ( -24.879 -9.270 0.000) 26.550 22.151 ( 15.894 21.458 0.000) 26.703 23.051 ( 2.070 -10.028 0.000) 10.239 23.078 ( 2.099 6.236 0.000) 6.580 23.247 ( -8.305 -2.425 0.000) 8.652 23.856 ( 3.980 8.120 0.000) 9.043 23.882 ( -0.833 -6.355 0.000) 6.409 24.110 ( -18.069 0.632 0.000) 18.080 24.539 ( -4.375 1.112 0.000) 4.514 24.757 ( -0.376 5.550 0.000) 5.563 28.011 ( -3.841 6.068 0.000) 7.182 28.014 ( 12.414 8.467 0.000) 15.026 28.841 ( 7.654 1.491 0.000) 7.798 28.995 ( -1.470 4.246 0.000) 4.494 29.777 ( 5.245 -7.184 0.000) 8.895 29.918 ( 5.603 -13.319 0.000) 14.449 30.140 ( -10.079 4.040 0.000) 10.858 30.173 ( -5.349 -2.202 0.000) 5.784 32.044 ( 38.261 -2.717 0.000) 38.357 32.380 ( -6.950 10.755 0.000) 12.805 32.938 ( -7.203 -10.812 0.000) 12.992 33.566 ( 7.301 12.925 0.000) 14.845 35.181 ( -2.810 -20.417 0.000) 20.609 35.485 ( 1.319 -15.239 0.000) 15.296 35.925 ( -9.322 9.468 0.000) 13.287 36.143 ( 3.383 9.729 0.000) 10.300 ======================= Grid point 13 (9/126) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -13.108 -7.679 0.000) 15.192 3.551 ( -12.711 23.915 0.000) 27.083 3.988 ( 10.913 -5.991 0.000) 12.449 4.147 ( -4.851 24.250 0.000) 24.731 4.929 ( -18.185 13.186 0.000) 22.462 5.306 ( -19.562 6.343 0.000) 20.565 5.403 ( 28.566 -11.579 0.000) 30.824 5.436 ( 11.086 6.997 0.000) 13.109 5.910 ( -1.617 -13.781 0.000) 13.875 6.446 ( -0.658 17.387 0.000) 17.399 6.538 ( 16.064 -8.653 0.000) 18.246 7.255 ( 38.013 4.388 0.000) 38.265 7.467 ( -3.848 11.095 0.000) 11.743 7.610 ( -3.377 17.930 0.000) 18.246 8.756 ( -18.987 3.726 0.000) 19.349 9.086 ( 9.108 -12.147 0.000) 15.183 10.082 ( -5.929 -31.184 0.000) 31.742 10.187 ( 4.250 -17.505 0.000) 18.014 10.438 ( -2.383 16.559 0.000) 16.730 10.631 ( -11.948 -7.180 0.000) 13.940 11.050 ( 3.779 4.258 0.000) 5.693 11.064 ( 4.429 27.518 0.000) 27.872 11.995 ( -20.839 -14.042 0.000) 25.129 12.357 ( -2.892 -15.959 0.000) 16.219 12.670 ( 1.956 19.187 0.000) 19.287 12.778 ( -32.545 10.826 0.000) 34.299 12.998 ( 21.060 5.565 0.000) 21.783 13.339 ( 3.157 0.295 0.000) 3.171 13.464 ( 0.942 11.067 0.000) 11.107 13.777 ( 24.284 -8.046 0.000) 25.582 14.121 ( 10.431 -25.762 0.000) 27.794 14.508 ( 2.098 19.978 0.000) 20.088 15.017 ( 19.154 -9.782 0.000) 21.507 15.043 ( -0.231 3.622 0.000) 3.629 16.143 ( -7.895 -28.303 0.000) 29.383 16.685 ( -25.909 -7.069 0.000) 26.856 16.937 ( -10.470 39.983 0.000) 41.331 17.275 ( -14.108 -20.247 0.000) 24.677 17.852 ( 27.396 8.403 0.000) 28.656 17.979 ( 9.386 6.478 0.000) 11.404 18.453 ( -6.555 -7.072 0.000) 9.642 18.621 ( -8.753 -2.682 0.000) 9.155 19.013 ( -10.837 7.491 0.000) 13.174 19.630 ( 16.898 7.157 0.000) 18.351 20.400 ( 6.453 -39.743 0.000) 40.264 20.711 ( -3.893 8.358 0.000) 9.220 21.311 ( -18.219 -14.558 0.000) 23.321 22.221 ( 15.977 13.168 0.000) 20.703 22.916 ( -8.963 4.438 0.000) 10.002 23.046 ( -1.754 1.523 0.000) 2.324 23.283 ( -12.328 -14.283 0.000) 18.868 23.651 ( -25.375 -2.359 0.000) 25.484 23.784 ( -1.651 18.560 0.000) 18.633 23.979 ( -2.391 -19.177 0.000) 19.325 24.701 ( 11.512 -7.153 0.000) 13.553 24.729 ( 7.377 10.204 0.000) 12.591 27.841 ( -4.322 14.028 0.000) 14.678 28.139 ( 9.909 2.022 0.000) 10.113 28.947 ( 8.831 2.049 0.000) 9.066 28.965 ( 2.860 3.645 0.000) 4.633 29.908 ( 0.491 -4.247 0.000) 4.276 29.946 ( -7.845 5.304 0.000) 9.470 30.093 ( 0.296 -10.698 0.000) 10.702 30.139 ( -0.530 -4.794 0.000) 4.823 31.995 ( -14.979 26.205 0.000) 30.184 32.607 ( 27.905 0.707 0.000) 27.914 32.948 ( -5.286 -13.853 0.000) 14.827 33.534 ( 6.926 15.215 0.000) 16.717 35.373 ( -2.954 -23.193 0.000) 23.380 35.700 ( -5.003 10.434 0.000) 11.571 35.729 ( 6.354 -18.226 0.000) 19.301 36.095 ( 6.825 13.895 0.000) 15.481 ======================= Grid point 14 (10/126) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( -24.718 39.600 0.000) 46.682 2.962 ( -32.011 7.653 0.000) 32.914 3.580 ( -30.286 14.296 0.000) 33.491 4.105 ( 1.249 -0.598 0.000) 1.385 4.647 ( -5.217 8.992 0.000) 10.396 4.686 ( -19.348 46.568 0.000) 50.427 5.447 ( 10.999 30.057 0.000) 32.006 5.632 ( -11.684 -3.446 0.000) 12.181 6.262 ( 28.703 18.985 0.000) 34.414 6.585 ( -3.680 9.489 0.000) 10.178 6.596 ( 34.503 -22.480 0.000) 41.180 7.488 ( -2.160 2.489 0.000) 3.296 7.489 ( 3.981 -23.464 0.000) 23.800 7.791 ( 27.193 2.586 0.000) 27.316 8.459 ( -15.612 0.579 0.000) 15.622 9.379 ( 8.657 -14.415 0.000) 16.815 10.189 ( -5.443 16.802 0.000) 17.662 10.312 ( -7.042 -32.801 0.000) 33.548 10.450 ( 6.099 -13.384 0.000) 14.708 10.481 ( -18.677 -9.742 0.000) 21.065 10.869 ( 4.354 21.958 0.000) 22.385 11.063 ( 2.406 2.705 0.000) 3.620 11.639 ( -29.675 1.353 0.000) 29.706 12.134 ( -20.712 8.244 0.000) 22.292 12.379 ( -1.025 31.680 0.000) 31.697 12.662 ( 2.701 -12.344 0.000) 12.636 13.166 ( 5.682 1.204 0.000) 5.808 13.391 ( 1.583 4.198 0.000) 4.487 13.556 ( 19.268 -2.138 0.000) 19.386 13.917 ( 0.328 17.068 0.000) 17.071 14.516 ( 9.718 -8.252 0.000) 12.749 14.593 ( 14.419 -13.264 0.000) 19.592 14.978 ( 2.990 1.327 0.000) 3.271 15.411 ( 22.876 3.327 0.000) 23.116 16.130 ( -18.021 39.541 0.000) 43.454 16.356 ( -14.965 -43.429 0.000) 45.935 16.697 ( -5.689 -15.559 0.000) 16.567 17.390 ( -2.046 -24.227 0.000) 24.314 18.000 ( -0.128 4.070 0.000) 4.072 18.158 ( 21.424 9.261 0.000) 23.340 18.411 ( -24.143 -2.780 0.000) 24.303 18.425 ( -7.875 -10.407 0.000) 13.051 18.855 ( 5.255 9.177 0.000) 10.575 19.774 ( 13.390 9.424 0.000) 16.374 20.525 ( -3.053 17.257 0.000) 17.525 20.961 ( 11.182 -37.275 0.000) 38.917 21.275 ( -6.794 -17.083 0.000) 18.384 22.353 ( 8.419 -0.614 0.000) 8.442 22.801 ( -1.771 1.152 0.000) 2.113 22.940 ( -17.371 -6.940 0.000) 18.706 23.137 ( -18.945 -10.286 0.000) 21.557 23.324 ( -7.170 11.901 0.000) 13.894 23.581 ( -7.101 6.661 0.000) 9.737 24.172 ( -7.332 -26.993 0.000) 27.971 24.750 ( 9.743 12.592 0.000) 15.921 24.948 ( 10.646 -4.759 0.000) 11.662 27.576 ( -5.576 20.744 0.000) 21.481 28.264 ( 7.293 0.558 0.000) 7.314 28.993 ( 4.098 2.371 0.000) 4.735 29.087 ( 10.553 -0.249 0.000) 10.556 29.788 ( -5.720 4.277 0.000) 7.142 29.877 ( -1.134 3.532 0.000) 3.710 30.155 ( -5.078 -7.794 0.000) 9.302 30.278 ( 5.068 -10.154 0.000) 11.348 31.420 ( -15.552 33.224 0.000) 36.683 32.716 ( -6.457 0.384 0.000) 6.468 33.241 ( 19.948 -9.619 0.000) 22.146 33.448 ( 4.441 17.459 0.000) 18.015 35.558 ( 1.127 10.593 0.000) 10.653 35.577 ( -2.465 -22.855 0.000) 22.988 36.038 ( 7.630 -17.389 0.000) 18.989 36.081 ( 12.494 15.965 0.000) 20.273 ======================= Grid point 15 (11/126) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -21.105 49.949 0.000) 54.224 2.047 ( -47.938 33.349 0.000) 58.397 3.128 ( -26.564 -7.933 0.000) 27.723 3.660 ( -15.105 91.251 0.000) 92.493 4.075 ( -2.706 2.516 0.000) 3.695 4.526 ( 0.429 7.553 0.000) 7.566 5.076 ( -0.096 51.183 0.000) 51.183 5.480 ( -9.367 -6.149 0.000) 11.205 6.487 ( -1.559 -1.037 0.000) 1.873 6.595 ( 37.802 17.367 0.000) 41.601 7.393 ( -2.331 -6.501 0.000) 6.906 7.486 ( 29.445 -22.547 0.000) 37.086 7.885 ( 4.448 -33.747 0.000) 34.039 8.074 ( 12.176 2.029 0.000) 12.344 8.252 ( -11.705 -2.009 0.000) 11.876 9.629 ( 4.579 -11.914 0.000) 12.763 9.931 ( -10.251 8.276 0.000) 13.174 10.245 ( -24.921 -10.062 0.000) 26.875 10.547 ( -2.365 -22.178 0.000) 22.304 10.637 ( 2.277 -8.917 0.000) 9.203 10.725 ( 3.110 15.645 0.000) 15.951 11.062 ( 0.578 2.090 0.000) 2.168 11.103 ( -20.637 19.821 0.000) 28.614 11.862 ( -9.514 0.533 0.000) 9.529 12.065 ( -0.104 20.174 0.000) 20.174 12.720 ( -0.241 4.600 0.000) 4.607 13.220 ( 1.352 -2.220 0.000) 2.599 13.474 ( 3.857 -11.306 0.000) 11.945 13.687 ( -1.103 19.147 0.000) 19.178 13.860 ( 16.151 1.553 0.000) 16.226 14.528 ( 2.733 13.922 0.000) 14.188 14.941 ( 9.543 -2.150 0.000) 9.782 15.180 ( 6.441 -13.993 0.000) 15.404 15.343 ( -9.561 33.821 0.000) 35.147 15.778 ( 7.008 -6.919 0.000) 9.848 16.599 ( -9.877 -39.740 0.000) 40.950 16.941 ( 14.668 -13.366 0.000) 19.844 17.686 ( 2.945 -27.383 0.000) 27.541 17.833 ( -25.576 -4.051 0.000) 25.895 18.061 ( -9.067 7.378 0.000) 11.690 18.257 ( -0.225 1.599 0.000) 1.615 18.469 ( 0.829 -5.885 0.000) 5.944 18.908 ( 8.044 5.292 0.000) 9.629 19.865 ( 12.074 10.881 0.000) 16.254 20.249 ( -5.515 21.174 0.000) 21.881 21.310 ( -6.121 -26.046 0.000) 26.755 21.676 ( 26.089 -22.584 0.000) 34.506 22.431 ( -6.454 -6.976 0.000) 9.504 22.652 ( -28.494 -9.752 0.000) 30.117 22.817 ( -0.265 -8.849 0.000) 8.853 23.037 ( -1.104 -3.038 0.000) 3.232 23.130 ( 0.923 19.118 0.000) 19.140 23.459 ( -5.217 -3.139 0.000) 6.088 24.245 ( -20.453 -25.171 0.000) 32.432 24.736 ( 4.605 12.779 0.000) 13.584 25.117 ( 6.232 -1.485 0.000) 6.406 27.241 ( -5.038 25.005 0.000) 25.507 28.343 ( 3.865 1.447 0.000) 4.127 29.026 ( 1.266 -0.332 0.000) 1.309 29.292 ( 13.348 -2.682 0.000) 13.615 29.665 ( -6.098 2.230 0.000) 6.493 29.872 ( 7.563 5.812 0.000) 9.538 30.098 ( -9.733 -3.728 0.000) 10.422 30.459 ( 3.584 -9.874 0.000) 10.504 30.870 ( -8.234 31.364 0.000) 32.427 32.576 ( -8.190 0.756 0.000) 8.225 33.312 ( 1.969 16.852 0.000) 16.966 33.629 ( 16.752 -7.645 0.000) 18.414 35.492 ( 3.390 9.774 0.000) 10.345 35.775 ( -1.289 -19.539 0.000) 19.581 36.188 ( 23.228 14.512 0.000) 27.389 36.310 ( 4.936 -14.158 0.000) 14.994 ======================= Grid point 16 (12/126) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -0.000 48.705 0.000) 48.705 1.252 ( -0.000 57.660 0.000) 57.660 2.417 ( -0.000 109.883 0.000) 109.883 2.891 ( 0.000 -1.396 0.000) 1.396 4.009 ( -0.000 3.712 0.000) 3.712 4.473 ( -0.000 4.948 0.000) 4.948 4.518 ( -0.000 45.281 0.000) 45.281 5.475 ( 0.000 -5.567 0.000) 5.567 6.502 ( 0.000 -1.527 0.000) 1.527 7.042 ( -0.000 3.686 0.000) 3.686 7.161 ( -0.000 4.203 0.000) 4.203 8.123 ( -0.000 0.144 0.000) 0.144 8.132 ( -0.000 3.096 0.000) 3.096 8.172 ( 0.000 -33.313 0.000) 33.313 8.316 ( 0.000 -37.880 0.000) 37.880 9.740 ( -0.000 4.407 0.000) 4.407 9.770 ( 0.000 -8.095 0.000) 8.095 9.998 ( -0.000 0.237 0.000) 0.237 10.604 ( -0.000 9.770 0.000) 9.770 10.608 ( -0.000 32.809 0.000) 32.809 10.685 ( -0.000 2.972 0.000) 2.972 10.727 ( 0.000 -5.167 0.000) 5.167 11.041 ( -0.000 2.052 0.000) 2.052 11.789 ( 0.000 -0.470 0.000) 0.470 12.045 ( 0.000 -17.060 0.000) 17.060 12.630 ( -0.000 8.882 0.000) 8.882 13.259 ( 0.000 -2.330 0.000) 2.330 13.488 ( -0.000 16.889 0.000) 16.889 13.681 ( 0.000 -17.149 0.000) 17.149 13.992 ( -0.000 0.741 0.000) 0.741 14.418 ( -0.000 12.081 0.000) 12.081 14.550 ( -0.000 51.721 0.000) 51.721 15.334 ( 0.000 -18.031 0.000) 18.031 15.358 ( 0.000 -9.855 0.000) 9.855 15.947 ( 0.000 -6.979 0.000) 6.979 16.887 ( 0.000 -26.992 0.000) 26.992 17.350 ( 0.000 -9.002 0.000) 9.002 17.445 ( 0.000 -1.800 0.000) 1.800 17.945 ( -0.000 5.780 0.000) 5.780 17.994 ( 0.000 -20.201 0.000) 20.201 18.237 ( 0.000 -3.661 0.000) 3.661 18.523 ( 0.000 -8.978 0.000) 8.978 18.931 ( -0.000 3.813 0.000) 3.813 19.897 ( -0.000 26.541 0.000) 26.541 19.929 ( -0.000 6.057 0.000) 6.057 21.523 ( 0.000 -23.434 0.000) 23.434 22.205 ( -0.000 7.039 0.000) 7.039 22.383 ( 0.000 -4.779 0.000) 4.779 22.400 ( 0.000 -23.860 0.000) 23.860 22.953 ( -0.000 10.057 0.000) 10.057 22.986 ( 0.000 -16.153 0.000) 16.153 23.052 ( -0.000 3.930 0.000) 3.930 23.463 ( 0.000 -3.844 0.000) 3.844 24.151 ( 0.000 -10.834 0.000) 10.834 24.610 ( -0.000 14.909 0.000) 14.909 25.168 ( -0.000 1.295 0.000) 1.295 26.935 ( -0.000 22.086 0.000) 22.086 28.353 ( -0.000 2.466 0.000) 2.466 29.043 ( 0.000 -1.192 0.000) 1.192 29.521 ( 0.000 -0.057 0.000) 0.057 29.536 ( 0.000 -2.526 0.000) 2.526 29.937 ( -0.000 1.491 0.000) 1.491 29.990 ( -0.000 1.866 0.000) 1.866 30.536 ( -0.000 19.814 0.000) 19.814 30.582 ( 0.000 -7.137 0.000) 7.137 32.502 ( 0.000 -0.112 0.000) 0.112 33.165 ( -0.000 13.148 0.000) 13.148 33.885 ( 0.000 -9.602 0.000) 9.602 35.428 ( -0.000 8.119 0.000) 8.119 35.946 ( 0.000 -14.112 0.000) 14.112 36.426 ( -0.000 0.045 0.000) 0.045 36.478 ( 0.000 -9.629 0.000) 9.629 ======================= Grid point 19 (13/126) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 22.431 0.000 0.000) 22.431 3.316 ( 40.495 0.000 0.000) 40.495 3.947 ( 3.395 0.000 0.000) 3.395 4.232 ( 11.102 0.000 0.000) 11.102 4.922 ( 25.112 0.000 0.000) 25.112 5.063 ( 22.617 0.000 0.000) 22.617 5.320 ( 3.046 0.000 0.000) 3.046 5.570 ( 49.955 0.000 0.000) 49.955 5.895 ( -36.493 -0.000 0.000) 36.493 6.326 ( -54.505 -0.000 0.000) 54.505 6.497 ( 7.372 0.000 0.000) 7.372 6.735 ( 32.099 0.000 0.000) 32.099 7.977 ( 12.773 0.000 0.000) 12.773 8.452 ( -11.829 -0.000 0.000) 11.829 8.853 ( -0.385 -0.000 0.000) 0.385 9.202 ( -20.203 -0.000 0.000) 20.203 9.592 ( -10.528 -0.000 0.000) 10.528 9.696 ( 2.157 0.000 0.000) 2.157 10.540 ( -3.438 -0.000 0.000) 3.438 10.724 ( 1.806 0.000 0.000) 1.806 11.111 ( 1.673 0.000 0.000) 1.673 11.188 ( 12.345 0.000 0.000) 12.345 12.002 ( -8.660 -0.000 0.000) 8.660 12.460 ( -27.296 -0.000 0.000) 27.296 12.656 ( 23.575 0.000 0.000) 23.575 12.748 ( 6.053 0.000 0.000) 6.053 13.090 ( 33.585 0.000 0.000) 33.585 13.247 ( 5.013 0.000 0.000) 5.013 13.688 ( -20.974 -0.000 0.000) 20.974 13.770 ( -4.220 -0.000 0.000) 4.220 13.891 ( -13.597 -0.000 0.000) 13.597 14.183 ( 24.875 0.000 0.000) 24.875 14.511 ( 4.912 0.000 0.000) 4.912 15.094 ( -6.729 -0.000 0.000) 6.729 16.145 ( 5.054 0.000 0.000) 5.054 16.940 ( -35.394 -0.000 0.000) 35.394 17.209 ( -31.298 -0.000 0.000) 31.298 17.608 ( 23.148 0.000 0.000) 23.148 17.919 ( 14.028 0.000 0.000) 14.028 18.220 ( -5.855 -0.000 0.000) 5.855 18.413 ( -3.572 -0.000 0.000) 3.572 18.888 ( 1.386 0.000 0.000) 1.386 19.121 ( -15.261 -0.000 0.000) 15.261 19.327 ( -3.160 -0.000 0.000) 3.160 19.428 ( 23.996 0.000 0.000) 23.996 20.859 ( -10.396 -0.000 0.000) 10.396 21.415 ( -27.386 -0.000 0.000) 27.386 22.570 ( 9.420 0.000 0.000) 9.420 22.693 ( 12.978 0.000 0.000) 12.978 23.167 ( 0.333 0.000 0.000) 0.333 23.319 ( -14.245 -0.000 0.000) 14.245 23.794 ( -7.569 -0.000 0.000) 7.569 23.942 ( -20.411 -0.000 0.000) 20.411 24.087 ( 20.721 0.000 0.000) 20.721 24.581 ( -24.352 -0.000 0.000) 24.352 24.820 ( 1.935 0.000 0.000) 1.935 28.092 ( 2.204 0.000 0.000) 2.204 28.139 ( 1.172 0.000 0.000) 1.172 28.913 ( 15.955 0.000 0.000) 15.955 29.041 ( -4.193 -0.000 0.000) 4.193 29.689 ( 6.636 0.000 0.000) 6.636 29.696 ( 6.623 0.000 0.000) 6.623 30.135 ( -5.531 -0.000 0.000) 5.531 30.190 ( -9.655 -0.000 0.000) 9.655 32.021 ( 39.696 0.000 0.000) 39.696 32.522 ( 8.453 0.000 0.000) 8.453 32.815 ( -6.132 -0.000 0.000) 6.132 33.711 ( 3.111 0.000 0.000) 3.111 34.933 ( -0.702 -0.000 0.000) 0.702 35.296 ( -0.768 -0.000 0.000) 0.768 36.027 ( -11.728 -0.000 0.000) 11.728 36.247 ( 3.960 0.000 0.000) 3.960 ======================= Grid point 20 (14/126) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( -8.716 -3.189 0.000) 9.281 3.841 ( 19.357 -0.249 0.000) 19.359 3.944 ( 2.590 5.225 0.000) 5.831 4.515 ( 17.365 8.134 0.000) 19.175 5.156 ( -26.445 5.094 0.000) 26.931 5.169 ( -7.576 0.960 0.000) 7.637 5.480 ( 21.927 -2.321 0.000) 22.050 5.580 ( 14.641 10.089 0.000) 17.780 5.582 ( -16.177 -9.063 0.000) 18.543 6.234 ( 22.688 -14.969 0.000) 27.181 6.663 ( 13.916 3.441 0.000) 14.335 7.316 ( 38.882 1.233 0.000) 38.902 8.007 ( 4.548 27.758 0.000) 28.128 8.148 ( -10.630 20.540 0.000) 23.128 8.816 ( -4.725 -12.948 0.000) 13.783 8.852 ( -20.130 4.856 0.000) 20.708 9.537 ( -8.769 -16.755 0.000) 18.911 9.871 ( 10.773 -9.347 0.000) 14.263 10.463 ( -11.072 -5.744 0.000) 12.473 10.709 ( -0.627 6.299 0.000) 6.330 11.124 ( 1.756 2.095 0.000) 2.734 11.431 ( 11.039 -2.036 0.000) 11.226 11.789 ( -16.921 8.401 0.000) 18.892 12.068 ( -18.657 -12.494 0.000) 22.454 12.834 ( 5.817 1.362 0.000) 5.974 13.059 ( 26.190 0.024 0.000) 26.190 13.106 ( -18.658 19.237 0.000) 26.799 13.451 ( 10.680 1.696 0.000) 10.814 13.566 ( 2.369 -22.352 0.000) 22.477 13.678 ( 3.873 3.337 0.000) 5.112 13.754 ( 1.588 11.494 0.000) 11.603 14.713 ( 1.948 -23.169 0.000) 23.251 14.764 ( 36.952 -2.912 0.000) 37.067 14.945 ( -4.391 7.767 0.000) 8.922 16.101 ( -4.254 14.479 0.000) 15.091 16.420 ( -33.848 -8.727 0.000) 34.955 16.818 ( -26.205 -19.695 0.000) 32.781 17.915 ( -6.820 36.051 0.000) 36.691 17.985 ( 26.353 3.481 0.000) 26.582 18.085 ( 8.715 2.982 0.000) 9.211 18.351 ( -6.253 -2.440 0.000) 6.712 18.629 ( -13.193 11.164 0.000) 17.283 19.147 ( -4.009 -1.695 0.000) 4.353 19.460 ( -1.418 -40.639 0.000) 40.664 19.744 ( 18.242 2.999 0.000) 18.487 20.759 ( -3.282 -0.654 0.000) 3.347 21.048 ( -23.197 -7.968 0.000) 24.528 22.558 ( 5.880 16.951 0.000) 17.942 22.946 ( -2.166 -15.630 0.000) 15.779 23.054 ( -12.560 4.841 0.000) 13.461 23.142 ( -1.017 4.663 0.000) 4.773 23.556 ( -27.351 -3.696 0.000) 27.599 23.676 ( -9.114 -8.580 0.000) 12.517 24.186 ( -1.729 16.788 0.000) 16.877 24.501 ( 9.022 -11.659 0.000) 14.742 24.882 ( 8.046 3.788 0.000) 8.894 28.128 ( 6.738 9.539 0.000) 11.679 28.173 ( 4.538 0.830 0.000) 4.613 28.994 ( -1.393 -0.625 0.000) 1.527 29.070 ( 10.290 7.034 0.000) 12.464 29.814 ( -0.183 -10.268 0.000) 10.270 29.820 ( 6.662 -2.446 0.000) 7.097 30.047 ( -6.291 1.904 0.000) 6.573 30.051 ( -6.594 -2.815 0.000) 7.170 32.536 ( 3.118 19.238 0.000) 19.489 32.608 ( 33.139 -0.178 0.000) 33.140 32.739 ( -6.646 -5.161 0.000) 8.415 33.723 ( 1.551 1.164 0.000) 1.939 35.001 ( 1.585 -7.763 0.000) 7.923 35.362 ( 1.527 -13.087 0.000) 13.176 35.853 ( -7.090 3.692 0.000) 7.993 36.287 ( 4.321 4.364 0.000) 6.142 ======================= Grid point 21 (15/126) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -18.607 -2.743 0.000) 18.808 3.642 ( -10.406 28.297 0.000) 30.150 4.035 ( -45.015 22.553 0.000) 50.348 4.108 ( 6.885 0.282 0.000) 6.891 4.772 ( -13.196 2.252 0.000) 13.386 5.030 ( -1.783 -8.108 0.000) 8.301 5.760 ( 17.669 11.232 0.000) 20.937 5.807 ( 22.900 8.723 0.000) 24.505 6.098 ( 35.520 -16.575 0.000) 39.198 6.669 ( 13.747 -11.553 0.000) 17.957 6.797 ( 16.949 16.912 0.000) 23.943 7.530 ( -10.294 31.000 0.000) 32.665 7.767 ( -4.763 23.802 0.000) 24.274 7.882 ( 27.792 5.964 0.000) 28.425 8.501 ( -17.442 3.766 0.000) 17.843 9.014 ( 3.890 -20.073 0.000) 20.447 9.639 ( -7.846 -26.301 0.000) 27.446 10.161 ( 9.641 -12.608 0.000) 15.872 10.308 ( -16.244 -5.525 0.000) 17.158 10.528 ( -11.121 11.761 0.000) 16.186 11.126 ( 1.640 2.565 0.000) 3.045 11.231 ( -17.434 11.460 0.000) 20.863 11.637 ( -1.870 -1.878 0.000) 2.650 12.177 ( 2.224 -17.440 0.000) 17.581 12.562 ( -17.079 21.900 0.000) 27.772 12.861 ( 2.939 8.623 0.000) 9.110 13.312 ( 4.529 14.011 0.000) 14.725 13.543 ( 22.191 1.277 0.000) 22.228 13.600 ( 0.141 10.785 0.000) 10.786 13.918 ( 11.516 -13.023 0.000) 17.384 14.058 ( 17.499 -26.903 0.000) 32.093 14.658 ( -7.017 16.350 0.000) 17.792 14.978 ( 0.328 -19.549 0.000) 19.551 15.369 ( 22.980 -3.197 0.000) 23.201 15.749 ( -21.659 3.275 0.000) 21.905 16.197 ( -7.462 -18.934 0.000) 20.352 16.830 ( -8.587 -28.363 0.000) 29.634 17.294 ( -10.064 52.397 0.000) 53.354 18.068 ( -9.807 2.572 0.000) 10.138 18.268 ( -8.427 -3.986 0.000) 9.322 18.333 ( 23.057 5.744 0.000) 23.762 18.380 ( -9.889 0.874 0.000) 9.928 19.049 ( -0.156 7.969 0.000) 7.970 19.945 ( 13.974 6.094 0.000) 15.245 19.994 ( 3.863 -51.287 0.000) 51.433 20.730 ( -0.451 3.398 0.000) 3.428 20.882 ( -14.386 -16.816 0.000) 22.130 22.385 ( -9.505 5.686 0.000) 11.076 22.822 ( -20.249 -7.653 0.000) 21.647 22.964 ( -14.604 6.582 0.000) 16.019 23.001 ( 5.244 3.183 0.000) 6.134 23.302 ( -10.082 -6.421 0.000) 11.953 23.740 ( -1.200 -14.411 0.000) 14.461 23.944 ( -3.482 19.242 0.000) 19.555 24.786 ( 10.335 -9.913 0.000) 14.321 24.973 ( 10.264 7.532 0.000) 12.731 28.058 ( 5.324 21.712 0.000) 22.355 28.257 ( 5.526 -0.881 0.000) 5.596 29.007 ( 0.498 -1.428 0.000) 1.513 29.143 ( 8.386 4.758 0.000) 9.642 29.811 ( -8.546 -2.708 0.000) 8.965 29.910 ( 2.145 0.362 0.000) 2.175 30.009 ( -0.838 -4.099 0.000) 4.184 30.045 ( -0.913 -10.299 0.000) 10.339 32.211 ( -3.509 37.756 0.000) 37.918 32.657 ( -8.428 -4.153 0.000) 9.396 33.096 ( 24.003 -3.802 0.000) 24.302 33.738 ( 3.351 5.574 0.000) 6.504 35.120 ( -1.148 -15.046 0.000) 15.089 35.612 ( 5.089 -21.236 0.000) 21.838 35.739 ( -0.695 6.055 0.000) 6.095 36.306 ( 5.751 6.096 0.000) 8.380 ======================= Grid point 22 (16/126) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -24.950 13.282 0.000) 28.265 3.054 ( -11.632 44.098 0.000) 45.606 3.156 ( -31.975 12.181 0.000) 34.216 4.141 ( 0.970 3.224 0.000) 3.366 4.644 ( -2.967 1.943 0.000) 3.547 5.088 ( 8.957 12.645 0.000) 15.496 5.548 ( -10.003 36.585 0.000) 37.928 6.038 ( 22.723 21.210 0.000) 31.083 6.638 ( -10.992 28.324 0.000) 30.382 6.863 ( 29.470 -24.466 0.000) 38.302 6.943 ( 25.361 15.501 0.000) 29.723 7.283 ( -1.228 -18.277 0.000) 18.318 7.532 ( -1.238 13.604 0.000) 13.660 8.171 ( 14.356 5.127 0.000) 15.244 8.244 ( -11.872 0.884 0.000) 11.905 9.297 ( 4.139 -19.203 0.000) 19.644 9.852 ( -4.966 -33.057 0.000) 33.428 10.068 ( -18.322 0.232 0.000) 18.324 10.178 ( -16.132 4.898 0.000) 16.859 10.411 ( 4.886 -11.949 0.000) 12.910 10.935 ( -7.861 7.817 0.000) 11.086 11.119 ( 0.958 2.761 0.000) 2.922 11.603 ( 6.107 16.441 0.000) 17.538 11.972 ( -15.580 15.814 0.000) 22.200 12.539 ( 2.734 -18.698 0.000) 18.897 12.699 ( 0.479 26.837 0.000) 26.841 13.219 ( 0.235 5.090 0.000) 5.096 13.489 ( 0.526 10.088 0.000) 10.102 13.875 ( 17.347 1.655 0.000) 17.426 14.089 ( 2.321 12.347 0.000) 12.563 14.548 ( 1.381 -15.503 0.000) 15.565 14.620 ( 19.630 -14.986 0.000) 24.697 15.028 ( -2.500 7.699 0.000) 8.095 15.572 ( -0.595 -12.268 0.000) 12.282 15.601 ( -20.043 -45.788 0.000) 49.983 16.452 ( 5.747 41.913 0.000) 42.305 16.667 ( 10.842 2.727 0.000) 11.180 17.073 ( -1.244 -29.825 0.000) 29.851 17.749 ( -28.457 -3.306 0.000) 28.648 18.181 ( -7.764 -4.410 0.000) 8.929 18.236 ( -3.236 8.437 0.000) 9.036 18.555 ( 13.327 7.452 0.000) 15.268 19.021 ( 4.516 5.054 0.000) 6.778 20.064 ( 10.559 7.810 0.000) 13.134 20.602 ( 2.818 -45.982 0.000) 46.068 20.617 ( -3.620 12.690 0.000) 13.196 20.981 ( -1.651 -30.434 0.000) 30.479 22.257 ( -6.194 -6.155 0.000) 8.732 22.591 ( -18.554 -11.658 0.000) 21.912 22.643 ( -15.238 6.429 0.000) 16.539 23.092 ( 10.170 5.066 0.000) 11.362 23.290 ( -1.116 -5.063 0.000) 5.185 23.671 ( -3.286 21.667 0.000) 21.915 23.852 ( -4.508 -13.159 0.000) 13.909 25.013 ( 5.929 -8.059 0.000) 10.005 25.015 ( 6.914 11.233 0.000) 13.191 27.842 ( 2.223 29.310 0.000) 29.394 28.344 ( 3.586 -1.089 0.000) 3.747 29.011 ( -1.373 -1.053 0.000) 1.730 29.259 ( 9.500 -0.689 0.000) 9.525 29.679 ( -9.208 0.250 0.000) 9.212 29.946 ( 4.699 1.829 0.000) 5.042 30.029 ( -2.162 -3.089 0.000) 3.770 30.188 ( 0.419 -14.821 0.000) 14.827 31.699 ( -4.088 43.932 0.000) 44.122 32.557 ( -7.548 -1.754 0.000) 7.749 33.450 ( 13.197 -7.488 0.000) 15.173 33.677 ( 2.223 14.323 0.000) 14.495 35.301 ( -1.217 -22.084 0.000) 22.118 35.686 ( 2.325 7.715 0.000) 8.058 35.921 ( 3.959 -21.659 0.000) 22.018 36.357 ( 7.774 3.925 0.000) 8.709 ======================= Grid point 23 (17/126) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -0.000 36.708 0.000) 36.708 2.430 ( -0.000 51.995 0.000) 51.995 2.870 ( -0.000 0.599 0.000) 0.599 4.100 ( -0.000 4.557 0.000) 4.557 4.580 ( -0.000 89.435 0.000) 89.435 4.591 ( -0.000 4.731 0.000) 4.731 5.307 ( 0.000 -9.745 0.000) 9.745 5.731 ( -0.000 63.803 0.000) 63.803 6.418 ( 0.000 -6.511 0.000) 6.511 7.138 ( -0.000 4.665 0.000) 4.665 7.295 ( -0.000 2.955 0.000) 2.955 7.480 ( 0.000 -22.056 0.000) 22.056 7.564 ( 0.000 -29.860 0.000) 29.860 8.130 ( -0.000 0.478 0.000) 0.478 8.225 ( -0.000 5.347 0.000) 5.347 9.518 ( 0.000 -15.525 0.000) 15.525 9.848 ( -0.000 4.784 0.000) 4.784 10.011 ( -0.000 1.118 0.000) 1.118 10.189 ( 0.000 -36.010 0.000) 36.010 10.565 ( 0.000 -9.935 0.000) 9.935 10.792 ( -0.000 7.183 0.000) 7.183 11.096 ( -0.000 2.879 0.000) 2.879 11.355 ( -0.000 35.955 0.000) 35.955 11.776 ( 0.000 -0.686 0.000) 0.686 12.364 ( -0.000 33.037 0.000) 33.037 12.715 ( 0.000 -7.967 0.000) 7.967 13.206 ( 0.000 -1.084 0.000) 1.084 13.432 ( 0.000 -0.007 0.000) 0.007 13.884 ( -0.000 19.934 0.000) 19.934 14.012 ( -0.000 1.077 0.000) 1.077 14.715 ( -0.000 16.635 0.000) 16.635 14.838 ( 0.000 -26.250 0.000) 26.250 15.073 ( 0.000 -15.893 0.000) 15.893 15.685 ( -0.000 6.525 0.000) 6.525 15.809 ( -0.000 39.957 0.000) 39.957 16.011 ( 0.000 -53.031 0.000) 53.031 17.103 ( 0.000 -13.046 0.000) 13.046 17.393 ( 0.000 -30.545 0.000) 30.545 17.401 ( 0.000 -2.100 0.000) 2.100 18.111 ( -0.000 9.412 0.000) 9.412 18.151 ( 0.000 -3.881 0.000) 3.881 18.579 ( -0.000 7.718 0.000) 7.718 19.022 ( -0.000 4.098 0.000) 4.098 20.084 ( -0.000 7.592 0.000) 7.592 20.391 ( -0.000 19.439 0.000) 19.439 20.975 ( 0.000 -28.427 0.000) 28.427 21.492 ( 0.000 -51.174 0.000) 51.174 22.266 ( 0.000 -5.614 0.000) 5.614 22.401 ( -0.000 10.507 0.000) 10.507 22.604 ( 0.000 -17.936 0.000) 17.936 23.145 ( -0.000 4.250 0.000) 4.250 23.353 ( 0.000 -6.207 0.000) 6.207 23.390 ( -0.000 23.976 0.000) 23.976 23.912 ( 0.000 -10.587 0.000) 10.587 24.934 ( -0.000 14.195 0.000) 14.195 25.132 ( 0.000 -5.089 0.000) 5.089 27.527 ( -0.000 31.284 0.000) 31.284 28.380 ( 0.000 -0.123 0.000) 0.123 29.011 ( 0.000 -1.621 0.000) 1.621 29.429 ( 0.000 -6.553 0.000) 6.553 29.543 ( -0.000 2.463 0.000) 2.463 29.977 ( -0.000 2.041 0.000) 2.041 30.018 ( -0.000 0.183 0.000) 0.183 30.353 ( 0.000 -14.292 0.000) 14.292 31.203 ( -0.000 40.833 0.000) 40.833 32.497 ( 0.000 -0.350 0.000) 0.350 33.517 ( -0.000 17.989 0.000) 17.989 33.657 ( 0.000 -10.494 0.000) 10.494 35.536 ( 0.000 -22.914 0.000) 22.914 35.620 ( -0.000 8.913 0.000) 8.913 36.172 ( 0.000 -18.799 0.000) 18.799 36.427 ( 0.000 -0.033 0.000) 0.033 ======================= Grid point 28 (18/126) ======================= q-point: ( 0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -16.178 -0.000 0.000) 16.178 3.979 ( -0.331 -0.000 0.000) 0.331 4.098 ( 10.312 0.000 0.000) 10.312 4.352 ( -58.930 -0.000 0.000) 58.930 4.775 ( -22.685 -0.000 0.000) 22.685 4.848 ( 11.491 0.000 0.000) 11.491 5.885 ( 27.844 0.000 0.000) 27.844 5.906 ( 34.159 0.000 0.000) 34.159 5.977 ( 25.117 0.000 0.000) 25.117 6.415 ( 12.642 0.000 0.000) 12.642 6.949 ( 17.459 0.000 0.000) 17.459 7.854 ( 26.699 0.000 0.000) 26.699 8.103 ( -7.372 -0.000 0.000) 7.372 8.404 ( 13.738 0.000 0.000) 13.738 8.457 ( -18.260 -0.000 0.000) 18.260 8.593 ( -16.923 -0.000 0.000) 16.923 9.330 ( -5.883 -0.000 0.000) 5.883 10.008 ( 11.106 0.000 0.000) 11.106 10.232 ( -13.901 -0.000 0.000) 13.901 10.663 ( -13.169 -0.000 0.000) 13.169 11.156 ( 1.129 0.000 0.000) 1.129 11.359 ( -29.132 -0.000 0.000) 29.132 11.587 ( 9.979 0.000 0.000) 9.979 11.939 ( 2.762 0.000 0.000) 2.762 12.913 ( 3.624 0.000 0.000) 3.624 13.042 ( -12.921 -0.000 0.000) 12.921 13.483 ( 23.774 0.000 0.000) 23.774 13.494 ( 10.944 0.000 0.000) 10.944 13.669 ( 13.820 0.000 0.000) 13.820 13.671 ( 1.240 0.000 0.000) 1.240 13.835 ( 0.308 0.000 0.000) 0.308 14.594 ( 0.779 0.000 0.000) 0.779 14.900 ( -6.039 -0.000 0.000) 6.039 15.325 ( 18.127 0.000 0.000) 18.127 15.941 ( -6.531 -0.000 0.000) 6.531 16.171 ( -31.201 -0.000 0.000) 31.201 16.239 ( 1.575 0.000 0.000) 1.575 17.955 ( -14.161 -0.000 0.000) 14.161 18.175 ( 1.180 0.000 0.000) 1.180 18.225 ( -7.841 -0.000 0.000) 7.841 18.399 ( 23.071 0.000 0.000) 23.071 18.617 ( -14.784 -0.000 0.000) 14.784 18.965 ( 3.991 0.000 0.000) 3.991 19.219 ( -3.392 -0.000 0.000) 3.392 20.014 ( 14.073 0.000 0.000) 14.073 20.681 ( -16.579 -0.000 0.000) 16.579 20.751 ( 2.256 0.000 0.000) 2.256 22.548 ( -18.523 -0.000 0.000) 18.523 22.621 ( -20.837 -0.000 0.000) 20.837 23.081 ( 7.650 0.000 0.000) 7.650 23.113 ( -23.471 -0.000 0.000) 23.471 23.162 ( -0.774 -0.000 0.000) 0.774 23.571 ( 2.239 0.000 0.000) 2.239 24.214 ( -5.056 -0.000 0.000) 5.056 24.618 ( 12.073 0.000 0.000) 12.073 25.055 ( 10.465 0.000 0.000) 10.465 28.245 ( 4.730 0.000 0.000) 4.730 28.342 ( 10.601 0.000 0.000) 10.601 28.963 ( -0.728 -0.000 0.000) 0.728 29.217 ( 3.882 0.000 0.000) 3.882 29.748 ( -1.864 -0.000 0.000) 1.864 29.914 ( -8.001 -0.000 0.000) 8.001 29.916 ( 6.402 0.000 0.000) 6.402 29.978 ( -3.175 -0.000 0.000) 3.175 32.604 ( -6.504 -0.000 0.000) 6.504 32.748 ( 5.335 0.000 0.000) 5.335 33.060 ( 23.137 0.000 0.000) 23.137 33.678 ( -3.434 -0.000 0.000) 3.434 35.057 ( 6.269 0.000 0.000) 6.269 35.275 ( -0.489 -0.000 0.000) 0.489 35.805 ( -1.259 -0.000 0.000) 1.259 36.368 ( 3.223 0.000 0.000) 3.223 ======================= Grid point 30 (19/126) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -12.550 0.468 0.000) 12.559 3.479 ( -39.485 11.245 0.000) 41.055 3.823 ( -3.703 24.918 0.000) 25.192 4.193 ( 2.780 1.171 0.000) 3.016 4.559 ( -8.805 -8.507 0.000) 12.243 4.986 ( 2.656 -6.130 0.000) 6.681 6.192 ( 16.529 14.405 0.000) 21.926 6.249 ( 17.103 11.647 0.000) 20.692 6.474 ( 26.900 -11.049 0.000) 29.081 6.701 ( 9.997 -18.581 0.000) 21.099 7.157 ( 11.289 3.944 0.000) 11.958 7.778 ( -10.032 45.036 0.000) 46.140 7.980 ( 3.908 16.591 0.000) 17.045 8.250 ( 12.022 0.488 0.000) 12.032 8.310 ( -13.436 6.370 0.000) 14.869 8.801 ( 3.154 -26.974 0.000) 27.158 9.330 ( -3.665 -13.312 0.000) 13.807 10.033 ( -12.096 -1.547 0.000) 12.195 10.186 ( 6.120 -6.934 0.000) 9.249 10.290 ( -24.812 3.248 0.000) 25.024 11.081 ( -6.036 4.687 0.000) 7.643 11.164 ( 0.726 1.197 0.000) 1.399 11.713 ( 5.305 -0.056 0.000) 5.306 12.051 ( 1.921 -12.161 0.000) 12.312 12.677 ( -6.972 31.145 0.000) 31.916 12.946 ( 1.500 1.693 0.000) 2.262 13.511 ( 0.541 14.218 0.000) 14.228 13.680 ( 1.147 4.106 0.000) 4.264 13.906 ( 17.370 1.067 0.000) 17.402 13.974 ( 15.480 -10.988 0.000) 18.984 14.036 ( 14.948 -32.730 0.000) 35.982 14.685 ( -10.450 16.853 0.000) 19.830 14.689 ( -4.183 -17.795 0.000) 18.280 15.247 ( -16.358 -16.544 0.000) 23.265 15.586 ( -18.869 22.956 0.000) 29.716 16.368 ( 35.807 -6.103 0.000) 36.323 16.438 ( -1.979 -26.993 0.000) 27.065 17.613 ( -17.010 13.840 0.000) 21.929 17.849 ( -15.849 37.616 0.000) 40.819 18.119 ( -6.022 -1.424 0.000) 6.188 18.389 ( -0.305 5.615 0.000) 5.623 18.678 ( 13.636 3.254 0.000) 14.019 19.105 ( 0.476 1.271 0.000) 1.357 19.458 ( 0.471 -51.912 0.000) 51.914 20.184 ( 9.381 3.060 0.000) 9.868 20.547 ( -7.942 -10.912 0.000) 13.496 20.788 ( 2.722 3.661 0.000) 4.562 22.220 ( -12.468 2.826 0.000) 12.784 22.360 ( -19.856 -9.294 0.000) 21.924 22.793 ( -12.394 5.406 0.000) 13.521 23.174 ( -1.253 -4.241 0.000) 4.422 23.184 ( 6.818 2.739 0.000) 7.347 23.658 ( 2.632 -4.905 0.000) 5.566 24.078 ( -2.185 13.479 0.000) 13.655 24.814 ( 5.937 -8.376 0.000) 10.267 25.182 ( 7.457 4.085 0.000) 8.503 28.318 ( 3.550 -0.864 0.000) 3.654 28.384 ( 6.399 17.711 0.000) 18.831 28.977 ( -0.455 -2.092 0.000) 2.141 29.251 ( 2.073 -0.192 0.000) 2.082 29.701 ( -3.803 1.418 0.000) 4.059 29.856 ( -3.846 -9.705 0.000) 10.439 29.964 ( -0.523 -2.392 0.000) 2.448 29.999 ( 3.357 -0.256 0.000) 3.367 32.523 ( -4.635 -1.034 0.000) 4.748 32.599 ( 0.918 34.410 0.000) 34.423 33.340 ( 11.202 -2.603 0.000) 11.500 33.723 ( -0.497 -11.439 0.000) 11.450 35.064 ( 1.243 4.487 0.000) 4.656 35.437 ( 2.183 -21.736 0.000) 21.846 35.802 ( 1.926 2.856 0.000) 3.445 36.403 ( 2.421 0.899 0.000) 2.583 ======================= Grid point 31 (20/126) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -0.000 9.332 0.000) 9.332 3.013 ( -0.000 13.387 0.000) 13.387 3.422 ( -0.000 39.619 0.000) 39.619 4.186 ( -0.000 3.145 0.000) 3.145 4.594 ( 0.000 -6.312 0.000) 6.312 5.090 ( 0.000 -9.487 0.000) 9.487 6.015 ( -0.000 41.264 0.000) 41.264 6.318 ( -0.000 1.399 0.000) 1.399 6.873 ( 0.000 -19.385 0.000) 19.385 7.033 ( 0.000 -22.327 0.000) 22.327 7.082 ( -0.000 59.829 0.000) 59.829 7.220 ( -0.000 2.786 0.000) 2.786 7.795 ( -0.000 28.730 0.000) 28.730 8.142 ( -0.000 0.616 0.000) 0.616 8.335 ( -0.000 3.763 0.000) 3.763 9.099 ( 0.000 -24.072 0.000) 24.072 9.498 ( 0.000 -24.377 0.000) 24.377 9.915 ( -0.000 1.513 0.000) 1.513 10.046 ( -0.000 1.741 0.000) 1.741 10.330 ( 0.000 -10.654 0.000) 10.654 10.970 ( -0.000 8.295 0.000) 8.295 11.152 ( -0.000 2.094 0.000) 2.094 11.763 ( 0.000 -0.508 0.000) 0.508 12.085 ( -0.000 21.240 0.000) 21.240 12.394 ( 0.000 -3.872 0.000) 3.872 12.906 ( -0.000 9.989 0.000) 9.989 13.338 ( -0.000 16.581 0.000) 16.581 13.601 ( -0.000 9.546 0.000) 9.546 14.034 ( -0.000 0.897 0.000) 0.897 14.322 ( 0.000 -19.596 0.000) 19.596 14.325 ( -0.000 21.379 0.000) 21.379 14.743 ( 0.000 -13.216 0.000) 13.216 14.777 ( 0.000 -58.631 0.000) 58.631 15.159 ( -0.000 24.667 0.000) 24.667 15.337 ( 0.000 -21.229 0.000) 21.229 16.735 ( 0.000 -30.772 0.000) 30.772 16.849 ( 0.000 -9.482 0.000) 9.482 17.097 ( -0.000 62.007 0.000) 62.007 17.363 ( 0.000 -1.361 0.000) 1.361 18.085 ( 0.000 -2.126 0.000) 2.126 18.316 ( -0.000 8.596 0.000) 8.596 18.738 ( -0.000 6.066 0.000) 6.066 19.092 ( -0.000 2.313 0.000) 2.313 20.072 ( 0.000 -57.294 0.000) 57.294 20.223 ( -0.000 4.967 0.000) 4.967 20.659 ( 0.000 -21.945 0.000) 21.945 20.720 ( -0.000 11.187 0.000) 11.187 22.164 ( 0.000 -3.634 0.000) 3.634 22.273 ( 0.000 -12.076 0.000) 12.076 22.616 ( -0.000 8.750 0.000) 8.750 23.218 ( 0.000 -5.860 0.000) 5.860 23.219 ( -0.000 2.523 0.000) 2.523 23.729 ( 0.000 -6.073 0.000) 6.073 23.877 ( -0.000 20.231 0.000) 20.231 24.962 ( 0.000 -9.937 0.000) 9.937 25.178 ( -0.000 8.150 0.000) 8.150 28.184 ( -0.000 27.978 0.000) 27.978 28.360 ( 0.000 -1.284 0.000) 1.284 28.981 ( 0.000 -1.110 0.000) 1.110 29.303 ( 0.000 -4.499 0.000) 4.499 29.623 ( -0.000 4.553 0.000) 4.553 29.989 ( 0.000 -2.610 0.000) 2.610 29.996 ( 0.000 -17.747 0.000) 17.747 30.015 ( -0.000 1.405 0.000) 1.405 32.158 ( -0.000 45.427 0.000) 45.427 32.489 ( 0.000 -0.417 0.000) 0.417 33.476 ( 0.000 -6.027 0.000) 6.027 33.788 ( -0.000 1.795 0.000) 1.795 35.103 ( 0.000 -11.574 0.000) 11.574 35.707 ( 0.000 -23.754 0.000) 23.754 35.778 ( -0.000 5.386 0.000) 5.386 36.425 ( 0.000 -0.126 0.000) 0.126 ======================= Grid point 39 (21/126) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 0.000 -0.000 0.000) 0.000 3.205 ( 0.000 -0.000 0.000) 0.000 3.968 ( 0.000 -0.000 0.000) 0.000 4.222 ( 0.000 -0.000 0.000) 0.000 4.402 ( -0.000 0.000 0.000) 0.000 4.972 ( 0.000 -0.000 0.000) 0.000 6.437 ( 0.000 -0.000 0.000) 0.000 6.525 ( 0.000 -0.000 0.000) 0.000 6.604 ( -0.000 0.000 0.000) 0.000 6.628 ( -0.000 0.000 0.000) 0.000 7.250 ( 0.000 -0.000 0.000) 0.000 8.061 ( -0.000 0.000 0.000) 0.000 8.150 ( 0.000 -0.000 0.000) 0.000 8.215 ( -0.000 0.000 0.000) 0.000 8.232 ( 0.000 -0.000 0.000) 0.000 8.678 ( 0.000 -0.000 0.000) 0.000 9.234 ( 0.000 -0.000 0.000) 0.000 9.929 ( 0.000 -0.000 0.000) 0.000 10.066 ( 0.000 -0.000 0.000) 0.000 10.197 ( 0.000 -0.000 0.000) 0.000 11.073 ( 0.000 -0.000 0.000) 0.000 11.176 ( 0.000 -0.000 0.000) 0.000 11.757 ( 0.000 -0.000 0.000) 0.000 11.995 ( 0.000 -0.000 0.000) 0.000 12.840 ( 0.000 -0.000 0.000) 0.000 12.964 ( 0.000 -0.000 0.000) 0.000 13.588 ( 0.000 -0.000 0.000) 0.000 13.773 ( -0.000 0.000 0.000) 0.000 13.842 ( 0.000 -0.000 0.000) 0.000 14.051 ( -0.000 0.000 0.000) 0.000 14.092 ( 0.000 -0.000 0.000) 0.000 14.588 ( 0.000 -0.000 0.000) 0.000 14.747 ( 0.000 -0.000 0.000) 0.000 14.904 ( -0.000 0.000 0.000) 0.000 15.571 ( -0.000 0.000 0.000) 0.000 16.262 ( 0.000 -0.000 0.000) 0.000 16.741 ( 0.000 -0.000 0.000) 0.000 17.348 ( 0.000 -0.000 0.000) 0.000 18.063 ( 0.000 -0.000 0.000) 0.000 18.134 ( 0.000 -0.000 0.000) 0.000 18.389 ( 0.000 -0.000 0.000) 0.000 18.806 ( 0.000 -0.000 0.000) 0.000 19.097 ( 0.000 -0.000 0.000) 0.000 19.117 ( 0.000 -0.000 0.000) 0.000 20.279 ( 0.000 -0.000 0.000) 0.000 20.425 ( 0.000 -0.000 0.000) 0.000 20.846 ( 0.000 -0.000 0.000) 0.000 22.123 ( 0.000 -0.000 0.000) 0.000 22.135 ( 0.000 -0.000 0.000) 0.000 22.723 ( 0.000 -0.000 0.000) 0.000 23.143 ( 0.000 -0.000 0.000) 0.000 23.247 ( 0.000 -0.000 0.000) 0.000 23.663 ( 0.000 -0.000 0.000) 0.000 24.138 ( 0.000 -0.000 0.000) 0.000 24.812 ( 0.000 -0.000 0.000) 0.000 25.267 ( 0.000 -0.000 0.000) 0.000 28.343 ( 0.000 -0.000 0.000) 0.000 28.544 ( 0.000 -0.000 0.000) 0.000 28.968 ( 0.000 -0.000 0.000) 0.000 29.253 ( 0.000 -0.000 0.000) 0.000 29.689 ( -0.000 0.000 0.000) 0.000 29.748 ( 0.000 -0.000 0.000) 0.000 29.946 ( 0.000 -0.000 0.000) 0.000 30.031 ( 0.000 -0.000 0.000) 0.000 32.483 ( 0.000 -0.000 0.000) 0.000 32.835 ( 0.000 -0.000 0.000) 0.000 33.411 ( 0.000 -0.000 0.000) 0.000 33.609 ( -0.000 0.000 0.000) 0.000 35.177 ( 0.000 -0.000 0.000) 0.000 35.268 ( 0.000 -0.000 0.000) 0.000 35.837 ( 0.000 -0.000 0.000) 0.000 36.423 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/126) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 0.000 48.174) 48.174 1.230 ( 0.000 0.000 58.311) 58.311 2.249 ( 0.000 0.000 105.998) 105.998 2.902 ( 0.000 0.000 -0.043) 0.043 3.867 ( 0.000 0.000 -4.249) 4.249 4.030 ( 0.000 0.000 -0.642) 0.642 5.038 ( 0.000 0.000 -0.952) 0.952 5.325 ( 0.000 0.000 -1.176) 1.176 5.641 ( 0.000 0.000 9.080) 9.080 6.795 ( 0.000 0.000 2.389) 2.389 7.026 ( 0.000 0.000 2.489) 2.489 7.622 ( 0.000 0.000 -30.717) 30.717 8.274 ( 0.000 0.000 2.469) 2.469 8.641 ( 0.000 0.000 2.584) 2.584 8.651 ( 0.000 0.000 -17.475) 17.475 9.660 ( 0.000 0.000 -14.652) 14.652 9.709 ( 0.000 0.000 -0.977) 0.977 9.969 ( 0.000 0.000 -6.249) 6.249 10.318 ( 0.000 0.000 5.732) 5.732 10.444 ( 0.000 0.000 22.700) 22.700 10.724 ( 0.000 0.000 8.124) 8.124 10.848 ( 0.000 0.000 5.954) 5.954 11.157 ( 0.000 0.000 11.847) 11.847 11.723 ( 0.000 0.000 -6.792) 6.792 12.259 ( 0.000 0.000 -23.479) 23.479 12.687 ( 0.000 0.000 3.948) 3.948 13.171 ( 0.000 0.000 -5.677) 5.677 13.328 ( 0.000 0.000 -2.008) 2.008 13.801 ( 0.000 0.000 -11.725) 11.725 13.973 ( 0.000 0.000 -0.964) 0.964 14.117 ( 0.000 0.000 17.630) 17.630 15.425 ( 0.000 0.000 -2.625) 2.625 15.575 ( 0.000 0.000 2.384) 2.384 15.901 ( 0.000 0.000 10.252) 10.252 16.307 ( 0.000 0.000 -29.467) 29.467 17.335 ( 0.000 0.000 9.450) 9.450 17.506 ( 0.000 0.000 3.728) 3.728 17.823 ( 0.000 0.000 -5.297) 5.297 18.130 ( 0.000 0.000 2.171) 2.171 18.333 ( 0.000 0.000 4.733) 4.733 18.337 ( 0.000 0.000 -13.402) 13.402 18.523 ( 0.000 0.000 -0.299) 0.299 18.822 ( 0.000 0.000 -5.828) 5.828 19.480 ( 0.000 0.000 4.628) 4.628 19.868 ( 0.000 0.000 0.764) 0.764 21.775 ( 0.000 0.000 -7.456) 7.456 22.035 ( 0.000 0.000 -7.358) 7.358 22.417 ( 0.000 0.000 -2.163) 2.163 22.431 ( 0.000 0.000 1.925) 1.925 22.446 ( 0.000 0.000 -1.818) 1.818 23.045 ( 0.000 0.000 -0.789) 0.789 23.116 ( 0.000 0.000 9.193) 9.193 23.320 ( 0.000 0.000 -2.574) 2.574 23.515 ( 0.000 0.000 0.873) 0.873 24.389 ( 0.000 0.000 5.751) 5.751 25.137 ( 0.000 0.000 -0.590) 0.590 26.696 ( 0.000 0.000 1.302) 1.302 28.225 ( 0.000 0.000 -5.994) 5.994 28.271 ( 0.000 0.000 -4.398) 4.398 28.884 ( 0.000 0.000 -13.092) 13.092 29.496 ( 0.000 0.000 -10.147) 10.147 29.683 ( 0.000 0.000 11.573) 11.573 29.915 ( 0.000 0.000 -0.465) 0.465 29.951 ( 0.000 0.000 -1.228) 1.228 30.433 ( 0.000 0.000 -1.841) 1.841 30.687 ( 0.000 0.000 2.368) 2.368 33.135 ( 0.000 0.000 10.910) 10.910 33.564 ( 0.000 0.000 14.168) 14.168 35.151 ( 0.000 0.000 -3.520) 3.520 35.488 ( 0.000 0.000 14.589) 14.589 36.043 ( 0.000 0.000 -5.418) 5.418 41.017 ( 0.000 0.000 0.289) 0.289 ======================= Grid point 70 (23/126) ======================= q-point: ( 0.12 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 39.248 -24.733 34.228) 57.651 1.883 ( 40.243 -30.349 40.541) 64.685 2.635 ( 29.885 -32.358 75.207) 87.156 3.279 ( 33.457 6.133 -9.066) 35.202 4.015 ( 9.522 -4.642 -1.975) 10.775 4.166 ( 8.969 -17.916 -3.323) 20.309 4.695 ( -8.166 11.043 13.807) 19.474 5.503 ( -9.088 -21.978 -0.616) 23.790 5.882 ( 7.792 -9.553 -6.164) 13.783 6.694 ( -5.997 0.985 9.532) 11.304 7.257 ( 16.625 -0.162 -10.867) 19.862 7.459 ( -21.789 0.880 -27.779) 35.316 8.191 ( -13.005 24.845 -0.945) 28.058 8.313 ( 4.893 4.070 -1.550) 6.550 8.680 ( -11.783 -0.105 3.847) 12.395 9.677 ( 0.155 4.744 -12.983) 13.823 9.811 ( 4.769 -1.580 -4.556) 6.782 10.065 ( 10.454 2.295 -22.283) 24.720 10.210 ( -0.636 -0.505 -0.472) 0.939 10.582 ( -6.340 -20.327 12.516) 24.699 10.894 ( 9.540 4.717 5.660) 12.054 10.985 ( 17.902 -7.318 7.956) 20.912 11.208 ( 10.247 -2.403 14.072) 17.573 11.798 ( 9.243 0.518 -6.087) 11.080 12.193 ( -0.172 22.128 -16.036) 27.328 12.495 ( 0.341 7.742 -1.939) 7.989 13.239 ( 0.004 -8.175 1.185) 8.261 13.473 ( -16.528 -29.198 -4.764) 33.888 13.692 ( -8.824 4.274 -7.620) 12.417 13.904 ( -3.318 -6.807 -3.248) 8.240 14.280 ( 11.053 -0.920 18.415) 21.497 15.112 ( -43.192 22.438 32.533) 58.544 15.390 ( -2.432 8.159 -1.159) 8.593 15.481 ( -13.993 4.992 8.691) 17.212 15.974 ( -6.650 8.154 3.380) 11.051 17.031 ( -19.467 8.317 0.443) 21.174 17.302 ( 3.415 14.048 5.102) 15.331 17.845 ( 0.066 -2.973 -5.087) 5.893 17.980 ( 29.172 5.041 3.328) 29.791 18.095 ( -6.733 -4.401 2.462) 8.412 18.337 ( -3.200 18.201 2.148) 18.605 18.763 ( -7.955 -1.595 -4.619) 9.336 18.797 ( 7.628 10.491 -1.492) 13.057 19.574 ( -4.102 -17.544 3.640) 18.382 19.845 ( -6.578 -10.994 -0.134) 12.812 21.653 ( -10.816 4.370 -5.858) 13.054 21.921 ( -5.976 13.437 -3.988) 15.237 22.347 ( -3.468 -3.183 -4.462) 6.486 22.568 ( 0.349 -16.582 3.224) 16.896 23.070 ( 12.262 7.475 -1.562) 14.445 23.153 ( 8.567 18.107 0.303) 20.034 23.283 ( 9.951 7.803 3.679) 13.169 23.510 ( 3.047 0.672 -1.112) 3.312 24.129 ( 52.240 6.741 -52.593) 74.435 24.579 ( 29.345 1.704 -21.226) 36.257 25.103 ( -3.226 2.591 -1.298) 4.337 26.779 ( 10.828 -11.008 -5.718) 16.466 28.233 ( -5.182 -2.791 -5.902) 8.335 28.639 ( -16.839 -49.537 -25.075) 58.020 29.042 ( 7.310 -23.107 -20.836) 31.961 29.343 ( -12.613 0.595 -5.596) 13.812 29.725 ( 3.261 -4.472 10.542) 11.907 30.145 ( 19.049 0.087 -2.691) 19.238 30.303 ( 25.270 -9.112 -15.688) 31.108 30.472 ( 0.848 -5.345 -7.973) 9.636 30.810 ( 20.162 -15.451 -12.572) 28.343 33.159 ( -1.670 -6.603 10.620) 12.616 33.575 ( 2.433 3.055 12.549) 13.142 35.141 ( -2.670 -3.419 -3.645) 5.666 35.520 ( -0.164 -5.446 13.353) 14.422 36.024 ( 1.755 5.832 -4.406) 7.517 39.511 ( -93.092 46.718 85.969) 135.053 ======================= Grid point 71 (24/126) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 29.851 -31.377 25.482) 50.248 2.709 ( 36.967 -18.376 35.518) 54.459 3.457 ( 20.595 -9.706 3.208) 22.992 3.923 ( 46.401 -24.982 17.562) 55.548 4.166 ( 8.256 3.714 -0.035) 9.053 4.614 ( 8.063 -10.810 19.350) 23.586 4.666 ( 12.835 -25.435 -6.159) 29.148 5.598 ( -5.905 -19.260 2.234) 20.268 5.980 ( 3.285 3.206 -2.616) 5.284 6.598 ( -6.361 3.006 6.004) 9.250 6.929 ( -32.168 7.001 -11.165) 34.763 7.460 ( 9.963 3.022 -6.193) 12.113 7.729 ( -18.340 14.676 -0.517) 23.495 8.298 ( -9.432 14.198 7.406) 18.585 8.498 ( 8.146 6.652 2.599) 10.833 9.533 ( -9.152 7.948 -8.503) 14.807 9.823 ( -4.043 -6.002 -5.774) 9.258 10.161 ( 6.370 4.749 -27.025) 28.168 10.309 ( -4.537 -18.870 -4.424) 19.906 10.690 ( 0.271 -7.239 1.707) 7.442 10.967 ( 9.003 9.070 7.165) 14.651 11.146 ( 0.480 -3.359 7.219) 7.976 11.680 ( 30.020 -3.279 1.118) 30.220 11.926 ( 7.002 13.909 -4.550) 16.224 12.006 ( 16.966 1.509 -1.242) 17.078 12.567 ( 3.728 -4.552 -7.855) 9.814 13.266 ( -16.242 -5.630 4.030) 17.656 13.369 ( -7.750 -8.350 -2.960) 11.770 13.548 ( -5.609 -7.249 -2.800) 9.583 13.965 ( -1.945 2.248 10.120) 10.548 14.269 ( -7.582 -2.367 9.199) 12.153 14.759 ( -8.288 -2.374 -2.078) 8.868 15.156 ( -20.846 -4.537 9.707) 23.438 15.228 ( -9.855 2.533 6.635) 12.147 15.889 ( 6.096 4.879 5.549) 9.579 16.847 ( 5.636 11.332 -12.284) 17.638 17.207 ( 12.065 28.541 2.908) 31.123 17.832 ( -9.919 -2.484 -4.686) 11.248 17.930 ( -8.882 1.270 2.488) 9.311 18.035 ( -11.453 11.940 3.041) 16.822 18.471 ( 27.193 3.026 0.640) 27.368 18.652 ( -8.629 -6.212 -2.796) 10.994 18.762 ( 8.071 13.333 3.613) 15.999 19.593 ( -10.266 -9.308 2.437) 14.070 20.001 ( -2.783 -29.269 -0.041) 29.401 21.356 ( -21.346 2.707 -3.230) 21.758 21.705 ( 8.626 26.321 -2.281) 27.792 22.237 ( -17.137 -5.642 -3.444) 18.367 22.805 ( 6.413 -13.573 -3.469) 15.408 23.057 ( 4.480 7.886 3.124) 9.593 23.203 ( 12.001 12.246 -1.672) 17.227 23.387 ( 15.983 9.364 2.744) 18.727 23.600 ( 9.919 1.816 0.499) 10.096 24.361 ( 4.181 0.705 -14.742) 15.339 24.674 ( 1.042 23.672 -20.323) 31.217 24.968 ( -9.844 1.255 -1.531) 10.041 27.182 ( 22.674 -6.005 -11.734) 26.227 28.156 ( -8.526 -3.007 -6.881) 11.362 28.712 ( -8.704 -13.286 -14.646) 21.605 29.087 ( -13.024 -0.924 -8.775) 15.731 29.402 ( 4.705 -14.950 -14.417) 21.295 29.862 ( 5.272 -7.325 9.096) 12.813 30.284 ( 1.281 5.452 -1.293) 5.748 30.426 ( -1.678 1.612 -0.973) 2.522 30.798 ( 24.430 -15.282 -8.825) 30.137 31.598 ( 26.484 -29.277 -48.703) 62.694 33.215 ( -3.348 -10.976 9.607) 14.966 33.539 ( 1.455 10.089 11.908) 15.675 35.173 ( -1.983 -10.398 -4.845) 11.642 35.577 ( -0.492 -4.838 9.519) 10.689 35.993 ( 4.812 7.589 1.609) 9.129 37.951 ( -56.757 26.756 86.136) 106.568 ======================= Grid point 72 (25/126) ======================= q-point: ( 0.38 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( 19.622 -19.410 19.002) 33.509 3.375 ( 23.428 -6.573 8.055) 25.631 3.776 ( 11.184 -13.606 9.614) 20.066 4.163 ( 0.588 6.230 3.077) 6.973 4.622 ( 18.585 -13.205 -0.754) 22.811 5.065 ( 14.331 -17.845 -0.305) 22.889 5.196 ( 17.840 -15.253 11.126) 25.975 5.725 ( -8.512 -5.292 7.585) 12.569 5.967 ( 9.650 1.082 5.203) 11.017 6.283 ( -7.933 2.052 -3.227) 8.807 6.694 ( -2.441 -1.669 8.026) 8.553 7.241 ( -28.100 4.103 7.151) 29.284 7.539 ( 2.135 3.608 -0.015) 4.193 7.868 ( -11.739 25.999 11.240) 30.661 8.667 ( 13.939 -0.086 -2.817) 14.221 9.249 ( -14.465 8.793 -6.669) 18.194 9.898 ( -1.732 -16.755 -10.429) 19.812 10.168 ( 3.144 8.215 -22.646) 24.294 10.428 ( -8.505 -23.606 -2.319) 25.198 10.697 ( 4.762 14.034 -0.972) 14.852 10.989 ( 6.901 9.438 7.645) 13.969 11.091 ( -3.995 5.415 4.902) 8.326 11.943 ( 4.334 -20.482 -11.638) 23.953 12.156 ( 20.813 6.140 -5.209) 22.316 12.497 ( 31.848 -5.219 -2.303) 32.355 12.574 ( -0.243 9.980 -9.578) 13.834 12.990 ( -16.158 -3.810 4.064) 17.092 13.407 ( -1.922 -11.621 7.713) 14.079 13.694 ( 3.318 -9.666 5.716) 11.709 13.806 ( -4.196 7.608 15.341) 17.630 14.083 ( -19.314 5.173 -13.629) 24.198 14.576 ( -12.930 -3.515 6.249) 14.785 14.873 ( -9.844 2.669 -2.698) 10.550 15.157 ( -7.555 -1.673 4.156) 8.783 16.111 ( 11.100 -20.133 5.437) 23.624 16.890 ( 14.630 21.450 -11.356) 28.339 17.048 ( 14.247 32.792 2.262) 35.825 17.570 ( -24.696 -5.583 -4.076) 25.646 17.760 ( -2.801 11.062 5.138) 12.515 17.831 ( -12.355 -7.266 0.967) 14.366 18.570 ( -2.480 -3.657 -2.141) 4.910 18.638 ( 2.505 7.896 -0.649) 8.309 18.999 ( 25.038 2.345 4.273) 25.508 19.499 ( -13.134 -7.195 2.646) 15.207 20.303 ( 0.517 -29.229 -0.036) 29.234 20.981 ( -14.891 12.572 -1.134) 19.521 21.643 ( 15.245 20.747 -2.488) 25.865 21.978 ( -22.378 -7.188 -2.887) 23.681 22.929 ( 6.351 3.617 -1.162) 7.400 23.139 ( -2.245 6.434 1.438) 6.964 23.270 ( 11.712 -13.493 -3.820) 18.271 23.577 ( 15.638 8.520 2.749) 18.019 23.745 ( 10.510 1.778 -1.183) 10.725 24.254 ( -5.511 24.685 -20.853) 32.781 24.476 ( -7.173 -11.928 0.901) 13.948 24.783 ( -10.551 3.391 -2.514) 11.364 27.554 ( 18.228 -3.283 -9.468) 20.801 28.026 ( -10.812 -0.897 -7.426) 13.148 28.723 ( -1.775 -5.336 -11.193) 12.526 28.906 ( -9.033 1.349 -8.165) 12.251 29.622 ( 6.926 -10.174 -11.004) 16.510 29.985 ( 0.282 -0.393 1.311) 1.398 30.198 ( -1.261 0.859 1.036) 1.844 30.379 ( -1.986 3.213 7.162) 8.097 31.385 ( 26.908 -15.163 -13.935) 33.884 32.035 ( 1.611 -9.816 -35.043) 36.427 33.279 ( -3.497 -11.095 8.452) 14.379 33.432 ( 1.583 12.209 12.635) 17.641 35.295 ( -0.422 -14.880 -6.422) 16.212 35.570 ( -0.528 5.875 -0.706) 5.941 36.079 ( 11.804 -1.911 19.530) 22.900 37.019 ( -35.168 17.352 60.705) 72.270 ======================= Grid point 73 (26/126) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( -4.154 -10.174 5.277) 12.191 3.545 ( 4.154 10.174 5.277) 12.191 4.057 ( 2.030 -14.010 8.375) 16.448 4.057 ( -2.030 14.010 8.375) 16.448 5.098 ( 2.109 -2.203 -1.321) 3.324 5.098 ( -2.109 2.203 -1.321) 3.324 5.378 ( 0.121 -5.321 5.068) 7.349 5.378 ( -0.121 5.321 5.068) 7.349 6.365 ( -8.766 -6.303 -0.630) 10.815 6.365 ( 8.766 6.303 -0.630) 10.815 6.757 ( -19.162 -6.535 20.031) 28.480 6.757 ( 19.162 6.535 20.031) 28.480 7.550 ( -0.134 -9.766 5.121) 11.028 7.550 ( 0.134 9.766 5.121) 11.028 8.929 ( -12.025 3.680 -5.116) 13.576 8.929 ( 12.025 -3.680 -5.116) 13.576 10.071 ( -0.467 -15.315 -16.420) 22.459 10.071 ( 0.467 15.315 -16.420) 22.459 10.565 ( -8.521 -26.869 -1.465) 28.225 10.565 ( 8.521 26.869 -1.465) 28.225 11.006 ( -7.250 -7.977 6.124) 12.397 11.006 ( 7.250 7.977 6.124) 12.397 12.245 ( -0.026 -21.028 -12.801) 24.618 12.245 ( 0.026 21.028 -12.801) 24.618 12.540 ( -15.686 -4.400 -6.284) 17.461 12.540 ( 15.686 4.400 -6.284) 17.461 13.308 ( -31.390 5.808 1.464) 31.957 13.308 ( 31.390 -5.808 1.464) 31.957 13.613 ( -3.220 -11.004 17.444) 20.875 13.613 ( 3.220 11.004 17.444) 20.875 14.223 ( 10.454 -22.239 -3.592) 24.834 14.223 ( -10.454 22.239 -3.592) 24.834 14.968 ( 3.912 -15.883 -0.878) 16.382 14.968 ( -3.912 15.883 -0.878) 16.382 16.566 ( 2.778 -39.261 2.037) 39.412 16.566 ( -2.778 39.261 2.037) 39.412 17.228 ( -28.300 -11.585 -5.221) 31.022 17.228 ( 28.300 11.585 -5.221) 31.022 17.728 ( -11.442 -10.811 2.937) 16.013 17.728 ( 11.442 10.811 2.937) 16.013 18.593 ( -3.410 -7.855 -1.277) 8.658 18.593 ( 3.410 7.855 -1.277) 8.658 19.314 ( -18.793 -4.820 3.297) 19.680 19.314 ( 18.793 4.820 3.297) 19.680 20.630 ( 6.210 -22.316 -0.285) 23.166 20.630 ( -6.210 22.316 -0.285) 23.166 21.742 ( -20.414 -14.294 -2.595) 25.056 21.742 ( 20.414 14.294 -2.595) 25.056 23.017 ( -4.475 0.726 0.062) 4.534 23.017 ( 4.475 -0.726 0.062) 4.534 23.576 ( -0.912 -18.128 -0.562) 18.159 23.576 ( 0.912 18.128 -0.562) 18.159 23.920 ( 0.589 -4.312 -8.437) 9.493 23.920 ( -0.589 4.312 -8.437) 9.493 24.585 ( 2.682 -8.512 -2.249) 9.203 24.585 ( -2.682 8.512 -2.249) 9.203 27.830 ( -12.088 -0.486 -7.988) 14.497 27.830 ( 12.088 0.486 -7.988) 14.497 28.782 ( -5.589 -8.480 -9.424) 13.855 28.782 ( 5.589 8.480 -9.424) 13.855 29.842 ( 5.675 -8.370 -8.050) 12.925 29.842 ( -5.675 8.370 -8.050) 12.925 30.283 ( -1.095 -6.434 8.070) 10.379 30.283 ( 1.095 6.434 8.070) 10.379 31.888 ( -7.800 -6.125 -21.502) 23.679 31.888 ( 7.800 6.125 -21.502) 23.679 33.347 ( -8.472 -16.014 10.101) 20.743 33.347 ( 8.472 16.014 10.101) 20.743 35.451 ( -0.767 -14.371 -6.386) 15.744 35.451 ( 0.767 14.371 -6.386) 15.744 36.419 ( 1.596 -2.792 39.349) 39.480 36.419 ( -1.596 2.792 39.349) 39.480 ======================= Grid point 79 (27/126) ======================= q-point: ( 0.12 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 43.861 0.000 31.833) 54.195 2.485 ( 36.785 0.000 52.475) 64.084 3.232 ( 53.992 0.000 17.680) 56.813 3.799 ( 30.027 0.000 -2.206) 30.108 4.255 ( 13.971 0.000 -1.733) 14.078 4.277 ( 26.088 0.000 -0.905) 26.104 4.597 ( -6.358 -0.000 17.465) 18.586 5.302 ( -0.737 -0.000 -0.068) 0.740 6.031 ( 10.918 0.000 -1.470) 11.017 6.634 ( -2.487 -0.000 10.770) 11.053 6.995 ( -36.440 -0.000 -20.639) 41.879 7.498 ( 13.573 0.000 -10.306) 17.042 7.941 ( -30.540 -0.000 18.207) 35.556 8.490 ( 11.791 0.000 -2.360) 12.025 8.545 ( -5.623 -0.000 -16.018) 16.976 9.623 ( -10.087 -0.000 -8.724) 13.336 9.794 ( -5.469 -0.000 -7.455) 9.246 10.199 ( -6.374 -0.000 7.883) 10.138 10.229 ( 1.501 0.000 -19.001) 19.060 10.359 ( 6.338 0.000 -3.698) 7.338 11.062 ( 0.713 0.000 4.909) 4.960 11.085 ( 9.852 0.000 4.238) 10.725 11.662 ( 38.477 0.000 4.230) 38.709 11.997 ( 15.097 0.000 -4.679) 15.806 12.338 ( 4.582 0.000 -9.119) 10.206 12.553 ( -4.316 -0.000 0.213) 4.322 13.028 ( -9.224 -0.000 -0.203) 9.226 13.213 ( -2.267 -0.000 2.129) 3.110 13.546 ( -11.363 -0.000 -13.544) 17.679 13.802 ( -2.180 -0.000 -5.534) 5.948 14.473 ( 11.296 0.000 16.006) 19.590 14.590 ( -26.844 -0.000 32.704) 42.310 15.105 ( -34.749 -0.000 5.971) 35.258 15.347 ( -7.762 -0.000 2.314) 8.100 15.974 ( 3.732 0.000 6.382) 7.393 16.975 ( 5.206 0.000 -12.291) 13.348 17.507 ( 11.369 0.000 4.584) 12.258 17.764 ( -12.547 -0.000 -5.771) 13.810 17.883 ( -12.581 -0.000 1.394) 12.658 18.387 ( -7.593 -0.000 -1.984) 7.848 18.504 ( 31.479 0.000 1.243) 31.503 18.605 ( -8.805 -0.000 -0.012) 8.805 18.893 ( 3.508 0.000 2.613) 4.374 19.448 ( -1.718 -0.000 4.017) 4.369 19.584 ( -14.543 -0.000 -0.355) 14.547 21.359 ( -21.218 -0.000 -4.324) 21.654 22.043 ( -3.589 -0.000 -8.980) 9.671 22.311 ( -0.692 -0.000 5.460) 5.503 22.403 ( 2.126 0.000 0.676) 2.231 23.202 ( -3.475 -0.000 -0.489) 3.509 23.367 ( 18.782 0.000 -3.389) 19.085 23.524 ( -0.535 -0.000 -1.010) 1.142 23.631 ( 17.749 0.000 3.148) 18.026 24.262 ( -3.058 -0.000 -1.244) 3.301 24.902 ( -5.467 -0.000 -12.855) 13.969 25.272 ( -14.470 -0.000 -35.938) 38.742 27.347 ( 51.464 0.000 -49.634) 71.499 28.062 ( -6.835 -0.000 -8.723) 11.082 28.196 ( -3.346 -0.000 -3.016) 4.505 29.136 ( 11.506 0.000 -12.982) 17.347 29.182 ( -8.467 -0.000 -5.684) 10.198 29.758 ( 4.676 0.000 12.802) 13.630 30.324 ( -1.299 -0.000 3.091) 3.352 30.432 ( -2.023 -0.000 -5.724) 6.071 30.647 ( 29.986 0.000 -12.622) 32.534 31.247 ( 40.430 0.000 -31.758) 51.411 33.083 ( -3.403 -0.000 10.691) 11.219 33.665 ( 5.516 0.000 12.899) 14.029 35.052 ( -5.227 -0.000 -2.288) 5.706 35.494 ( 0.486 0.000 16.529) 16.536 36.094 ( 3.315 0.000 -4.323) 5.448 38.279 ( -75.664 -0.000 96.598) 122.704 ======================= Grid point 80 (28/126) ======================= q-point: ( 0.25 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 38.448 -10.744 21.980) 45.572 3.070 ( 29.597 -11.801 36.375) 48.356 3.740 ( 14.998 2.152 -4.114) 15.700 4.235 ( 6.856 -1.690 2.682) 7.554 4.476 ( 23.403 3.538 -2.138) 23.765 4.724 ( 22.660 -12.943 -2.723) 26.238 4.977 ( 46.590 -3.642 25.101) 53.047 5.380 ( 4.084 -12.885 4.952) 14.395 6.176 ( 8.075 6.292 -3.952) 10.973 6.356 ( -32.584 3.857 -9.397) 34.130 6.654 ( 1.656 -2.072 8.624) 9.023 7.356 ( -39.100 4.188 19.344) 43.823 7.676 ( 11.557 5.439 -5.658) 13.970 8.353 ( -7.169 15.276 -9.240) 19.239 8.701 ( 11.734 0.623 -2.447) 12.003 9.383 ( -17.000 3.338 -7.863) 19.025 9.683 ( -7.394 -2.665 -6.372) 10.118 10.041 ( -10.000 -7.192 10.855) 16.418 10.295 ( 5.402 3.442 -25.640) 26.428 10.576 ( 2.960 -15.497 -3.264) 16.112 11.114 ( 3.876 -4.903 2.669) 6.796 11.188 ( 6.806 4.583 7.999) 11.459 11.932 ( -1.832 13.060 -11.222) 17.316 12.251 ( 18.377 2.358 -5.379) 19.293 12.470 ( 22.946 4.521 1.163) 23.416 12.666 ( 18.268 0.209 0.469) 18.275 12.896 ( -14.631 -6.023 4.291) 16.394 13.262 ( 1.374 -5.207 -1.183) 5.513 13.399 ( -5.350 -5.199 -9.972) 12.454 13.895 ( 3.126 -12.633 -8.183) 15.372 14.193 ( -12.645 13.732 16.238) 24.742 14.485 ( -31.190 1.882 8.268) 32.322 14.748 ( 0.274 -17.020 12.762) 21.275 15.181 ( -8.228 6.040 2.441) 10.494 16.044 ( 6.486 4.328 3.607) 8.592 17.134 ( 17.951 5.619 -11.405) 21.998 17.426 ( -29.098 -3.545 -4.461) 29.651 17.654 ( 12.118 11.061 1.979) 16.526 17.679 ( -16.523 -4.234 1.092) 17.091 18.153 ( -5.618 21.869 1.140) 22.607 18.479 ( -5.452 -0.255 -0.520) 5.483 18.816 ( 4.299 5.180 -0.938) 6.797 19.056 ( 23.233 2.174 4.432) 23.751 19.384 ( -8.225 -3.331 1.965) 9.089 19.592 ( -5.673 -30.365 1.304) 30.918 21.055 ( -17.100 -0.693 -2.544) 17.302 21.826 ( -21.708 -3.119 -3.883) 22.272 22.189 ( 10.378 24.865 0.523) 26.949 22.704 ( 8.443 -22.242 -0.940) 23.809 23.144 ( 0.197 4.134 1.368) 4.359 23.418 ( -4.547 9.370 -2.290) 10.664 23.657 ( 13.084 -1.372 -4.615) 13.942 23.828 ( 12.045 5.960 2.211) 13.620 24.231 ( -6.524 -9.095 1.143) 11.251 24.729 ( -22.387 12.806 -24.285) 35.424 24.846 ( -10.184 3.775 -0.655) 10.881 27.751 ( 25.299 22.503 -21.183) 39.939 28.025 ( -2.958 0.301 -9.343) 9.805 28.391 ( 1.856 -24.701 -18.383) 30.847 29.035 ( -3.128 6.929 -6.241) 9.836 29.379 ( 9.171 -10.404 -11.810) 18.216 29.871 ( 5.003 -5.796 10.683) 13.143 30.225 ( -9.330 0.552 -3.969) 10.154 30.396 ( -2.397 -0.567 7.099) 7.514 31.187 ( 33.477 -4.046 -18.057) 38.251 31.854 ( 27.926 -5.240 -30.519) 41.698 33.050 ( -5.236 -6.339 10.182) 13.088 33.704 ( 4.493 8.220 10.784) 14.284 35.019 ( -3.539 -8.083 -1.861) 9.018 35.531 ( 1.086 -4.279 17.228) 17.784 36.140 ( 5.810 3.570 -0.510) 6.838 37.299 ( -45.214 7.419 72.718) 85.949 ======================= Grid point 81 (29/126) ======================= q-point: ( 0.38 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( 5.921 -6.118 13.685) 16.117 3.620 ( 21.298 -8.259 7.763) 24.127 3.870 ( 7.175 1.658 5.113) 8.965 4.305 ( 10.270 7.229 7.328) 14.541 4.871 ( 25.625 -5.681 1.285) 26.278 5.179 ( 15.097 -4.281 -3.230) 16.021 5.338 ( 8.617 2.563 2.475) 9.325 5.547 ( -19.315 8.160 6.992) 22.103 6.086 ( 15.322 -17.437 10.031) 25.287 6.416 ( 13.423 0.189 -4.874) 14.282 6.619 ( -26.018 0.270 18.150) 31.725 6.867 ( 9.829 0.870 14.441) 17.490 7.684 ( 2.580 16.193 -1.195) 16.441 8.014 ( -7.173 24.570 0.521) 25.601 8.835 ( 6.515 -1.938 -3.020) 7.438 9.051 ( -18.609 4.764 -6.190) 20.182 9.725 ( 1.979 -13.447 -10.033) 16.894 10.035 ( -9.815 -19.600 4.419) 22.361 10.315 ( 4.114 7.511 -20.109) 21.856 10.697 ( -3.865 -9.934 -0.283) 10.663 11.200 ( 1.417 10.601 2.846) 11.068 11.204 ( 7.529 9.236 3.749) 12.492 11.834 ( 1.673 -7.700 -5.069) 9.369 12.464 ( -6.122 -0.672 -6.160) 8.711 12.564 ( 3.629 7.272 -5.143) 9.618 12.678 ( 6.397 4.698 -11.631) 14.081 13.146 ( 23.435 -5.509 -2.476) 24.200 13.243 ( -6.373 -5.828 -0.456) 8.648 13.541 ( -12.737 -4.640 10.290) 17.018 13.809 ( -2.309 -5.135 0.813) 5.689 13.939 ( 0.351 12.895 15.460) 20.135 14.403 ( 9.421 -15.946 -2.979) 18.759 14.789 ( -6.214 5.867 -4.985) 9.894 15.086 ( -1.103 -5.781 7.678) 9.674 16.081 ( 1.086 -1.710 3.408) 3.964 16.979 ( -34.281 -8.916 -5.646) 35.869 17.378 ( 19.670 14.335 -8.902) 25.917 17.434 ( -17.966 -5.387 2.233) 18.889 17.608 ( 6.243 28.096 4.827) 29.183 17.918 ( 5.014 8.026 2.152) 9.705 18.443 ( -4.092 -5.107 -2.270) 6.927 18.736 ( -3.299 5.122 0.562) 6.119 19.246 ( -9.642 -1.230 1.429) 9.825 19.421 ( 20.581 4.325 3.371) 21.299 19.933 ( -0.036 -39.407 0.960) 39.419 20.844 ( -9.935 0.801 -1.589) 10.093 21.512 ( -23.847 -8.080 -2.128) 25.269 22.145 ( 15.937 22.263 -0.758) 27.390 23.002 ( 5.029 -6.527 -3.179) 8.832 23.124 ( -4.252 3.743 1.804) 5.945 23.234 ( -4.437 -4.739 -0.487) 6.511 23.766 ( -3.796 -6.276 -8.778) 11.439 23.883 ( 3.165 8.236 2.359) 9.134 24.077 ( -24.687 6.693 -6.603) 26.417 24.416 ( 4.987 -5.324 -8.182) 10.962 24.753 ( 0.818 6.114 -0.657) 6.203 27.861 ( 5.862 5.473 -10.573) 13.271 27.987 ( 7.822 10.440 -6.245) 14.463 28.596 ( 2.013 -8.792 -18.016) 20.148 28.959 ( 4.076 7.368 -5.146) 9.868 29.625 ( 7.801 -10.506 -9.842) 16.373 29.960 ( -3.581 0.448 -2.093) 4.173 30.099 ( -5.169 -7.018 2.742) 9.137 30.354 ( -3.313 0.317 10.625) 11.134 31.723 ( 25.695 -4.410 -24.555) 35.814 32.137 ( 11.773 10.972 -18.783) 24.735 33.046 ( -7.135 -10.901 9.961) 16.400 33.664 ( 5.732 11.749 8.688) 15.696 35.104 ( -1.896 -14.547 -3.948) 15.192 35.593 ( 1.015 -1.860 10.440) 10.653 36.256 ( 12.189 -2.379 14.762) 19.291 36.648 ( -27.751 8.452 49.989) 57.796 ======================= Grid point 82 (30/126) ======================= q-point: (-0.50 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( -15.597 -4.969 2.740) 16.597 3.677 ( -4.793 16.661 10.538) 20.288 4.044 ( 7.456 -4.451 5.213) 10.128 4.239 ( -4.628 22.781 8.542) 24.766 4.898 ( -17.945 11.718 -1.022) 21.456 5.355 ( 16.664 2.123 -3.542) 17.167 5.467 ( 13.809 4.220 4.544) 15.138 5.537 ( 1.001 1.511 15.785) 15.889 5.956 ( -10.345 -10.229 4.919) 15.357 6.480 ( 2.269 12.949 3.361) 13.569 6.684 ( 10.919 -6.437 12.064) 17.499 7.278 ( 27.127 4.950 5.684) 28.155 7.492 ( -3.530 5.396 2.782) 7.023 7.702 ( 1.665 16.151 7.812) 18.018 8.710 ( -17.210 3.163 -4.218) 18.000 9.030 ( 8.195 -11.041 -5.030) 14.641 9.939 ( 3.483 -13.274 -16.539) 21.491 10.133 ( -8.432 -25.356 1.542) 26.766 10.249 ( 1.178 12.792 -14.445) 19.331 10.717 ( -6.594 -10.903 4.894) 13.650 11.001 ( 0.499 22.469 -1.930) 22.557 11.206 ( 6.783 10.558 7.768) 14.759 11.961 ( -13.926 -12.456 -3.666) 19.040 12.280 ( -5.375 -10.773 -6.262) 13.570 12.462 ( -1.406 20.964 -18.114) 27.741 12.681 ( -18.158 10.446 -5.529) 21.666 13.070 ( 9.395 4.052 5.220) 11.486 13.443 ( -0.729 -10.941 13.153) 17.124 13.624 ( 19.430 -16.457 -11.646) 28.000 13.762 ( 0.792 12.665 16.048) 20.459 14.194 ( 9.096 -13.430 4.658) 16.876 14.421 ( 2.842 15.480 -6.175) 16.907 14.995 ( 23.979 -12.717 -1.082) 27.164 15.076 ( -0.309 7.150 2.379) 7.541 16.162 ( -8.618 -25.718 1.295) 27.155 16.582 ( -29.622 -11.365 -7.337) 32.565 16.965 ( -8.913 41.868 3.007) 42.912 17.369 ( -9.981 -18.132 6.637) 21.736 17.804 ( 27.030 7.983 -3.567) 28.409 17.986 ( 9.054 6.388 0.459) 11.090 18.431 ( -6.215 -7.209 -1.562) 9.645 18.642 ( -6.113 -1.238 1.180) 6.348 19.027 ( -13.483 5.526 1.460) 14.645 19.657 ( 16.240 6.873 2.349) 17.790 20.403 ( 6.474 -38.955 0.306) 39.490 20.700 ( -4.126 7.411 -0.971) 8.538 21.293 ( -17.843 -13.412 -2.205) 22.430 22.206 ( 16.106 14.394 -1.536) 21.656 22.902 ( -10.807 3.105 -1.438) 11.336 23.046 ( -1.439 0.119 -0.923) 1.714 23.302 ( -12.902 -13.018 1.658) 18.403 23.592 ( -21.126 1.520 -5.869) 21.979 23.773 ( -5.048 6.227 -4.774) 9.330 23.824 ( -3.112 -9.551 -8.299) 13.030 24.640 ( 10.879 -3.309 -3.793) 11.987 24.753 ( 9.502 6.343 0.483) 11.434 27.763 ( -3.311 13.015 -6.776) 15.042 28.085 ( 12.216 5.144 -5.320) 14.283 28.683 ( 2.171 -3.485 -16.362) 16.869 29.011 ( 11.242 6.576 -2.823) 13.327 29.772 ( -5.790 1.922 -8.526) 10.484 29.880 ( 4.900 -5.858 -7.796) 10.914 30.126 ( -7.101 -7.705 5.665) 11.911 30.311 ( -1.519 -1.700 9.718) 9.982 31.798 ( -7.804 20.623 -16.153) 27.334 32.234 ( 16.862 10.015 -28.064) 34.237 33.065 ( -5.839 -13.819 10.584) 18.360 33.644 ( 7.981 13.664 8.709) 18.062 35.250 ( -1.844 -17.762 -6.201) 18.904 35.565 ( -1.009 6.609 -1.098) 6.775 36.220 ( -14.949 8.134 31.334) 35.658 36.635 ( 22.467 -16.459 41.012) 49.575 ======================= Grid point 83 (31/126) ======================= q-point: (-0.38 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( -28.345 4.413 2.182) 28.770 3.241 ( -16.089 28.638 29.417) 44.095 3.689 ( -28.930 19.057 10.730) 36.266 4.121 ( 0.082 -0.201 1.368) 1.385 4.608 ( -3.120 20.434 1.508) 20.726 5.004 ( -17.479 28.366 23.229) 40.617 5.339 ( -0.690 27.633 -7.102) 28.539 5.737 ( 1.466 -2.400 7.472) 7.984 6.205 ( 20.973 19.966 -2.716) 29.084 6.492 ( 18.815 -5.219 -1.407) 19.576 6.788 ( 7.190 1.144 9.180) 11.717 7.417 ( 2.860 0.392 -5.848) 6.522 7.480 ( 0.690 -9.416 -3.209) 9.972 7.936 ( 17.421 -11.140 17.467) 27.068 8.454 ( -12.086 0.998 -0.859) 12.158 9.297 ( 7.031 -13.911 -7.652) 17.364 10.043 ( -3.780 -5.434 -20.514) 21.556 10.080 ( -1.318 13.946 -10.447) 17.474 10.321 ( -5.860 -27.118 0.090) 27.744 10.734 ( -7.675 -12.904 8.812) 17.409 10.818 ( 3.969 17.306 -0.912) 17.778 11.199 ( 5.349 8.730 8.074) 13.039 11.699 ( -24.526 -2.770 3.764) 24.968 12.104 ( -23.306 9.636 -1.483) 25.263 12.143 ( -3.000 24.938 -19.053) 31.527 12.514 ( 3.266 -9.805 -9.695) 14.171 13.327 ( 15.916 -0.903 6.202) 17.105 13.517 ( 1.635 6.207 8.886) 10.961 13.715 ( 7.234 -0.618 13.602) 15.418 13.913 ( 1.917 10.820 1.489) 11.089 14.247 ( 13.460 -7.529 -18.385) 23.997 14.689 ( 7.622 -15.063 3.431) 17.227 14.985 ( 3.753 2.762 1.007) 4.767 15.500 ( 27.453 1.661 7.497) 28.506 16.113 ( -19.595 25.995 -3.774) 32.771 16.385 ( -14.240 -42.150 2.529) 44.562 16.581 ( -6.771 -5.169 -5.571) 10.179 17.507 ( -0.629 -21.672 8.520) 23.295 18.002 ( 1.918 5.726 -0.694) 6.079 18.121 ( 19.911 7.459 -2.128) 21.368 18.382 ( -11.578 -5.131 -0.338) 12.669 18.507 ( -17.511 -8.492 4.636) 20.006 18.826 ( 2.700 9.225 -2.538) 9.942 19.796 ( 12.907 9.194 1.834) 15.953 20.519 ( -3.045 16.867 -0.475) 17.147 20.957 ( 11.716 -36.392 -0.359) 38.234 21.249 ( -7.232 -16.617 -2.737) 18.328 22.326 ( 9.135 1.594 -2.552) 9.618 22.762 ( -8.494 -3.656 -3.449) 9.869 22.915 ( -18.146 -3.555 -3.170) 18.761 23.165 ( -12.243 -8.514 1.457) 14.984 23.330 ( -6.767 7.641 0.743) 10.234 23.591 ( -8.116 5.511 0.801) 9.843 23.940 ( -7.801 -20.035 -18.385) 28.289 24.733 ( 9.042 10.160 -1.501) 13.684 24.938 ( 11.321 -2.745 -1.132) 11.704 27.516 ( -4.316 21.405 -5.294) 22.468 28.215 ( 8.692 2.346 -4.653) 10.134 28.764 ( 4.886 -1.292 -14.987) 15.817 29.148 ( 12.277 3.361 -0.353) 12.734 29.640 ( -1.139 6.911 -11.063) 13.094 29.968 ( -3.557 1.774 4.401) 5.931 30.103 ( -3.347 -10.502 -3.455) 11.552 30.335 ( -1.386 -6.000 4.046) 7.368 31.318 ( -12.887 32.019 -8.577) 35.564 32.178 ( -4.907 21.220 -42.818) 48.039 33.192 ( 1.901 -13.729 6.086) 15.137 33.599 ( 6.305 15.888 10.794) 20.216 35.372 ( -2.047 -2.639 -5.611) 6.530 35.495 ( -0.167 -4.377 -6.983) 8.243 35.979 ( -5.959 7.043 19.323) 21.412 37.312 ( 31.972 -30.386 63.420) 77.250 ======================= Grid point 84 (32/126) ======================= q-point: (-0.25 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -38.894 26.694 17.490) 50.311 2.672 ( -11.600 35.806 47.460) 60.573 3.158 ( -24.241 0.370 5.037) 24.762 3.959 ( -12.318 71.415 26.848) 77.283 4.081 ( -3.673 5.367 1.433) 6.660 4.668 ( -0.529 6.948 13.175) 14.904 4.913 ( -4.051 41.732 -10.893) 43.320 5.656 ( -4.661 3.679 12.460) 13.803 6.304 ( 17.745 19.669 -12.552) 29.314 6.670 ( 9.499 0.409 4.132) 10.367 7.267 ( 15.353 -12.942 -13.926) 24.436 7.295 ( -1.902 -5.154 -5.478) 7.758 7.698 ( 2.742 -10.364 -19.290) 22.069 8.312 ( -2.743 -11.130 8.211) 14.101 8.326 ( 7.260 -12.913 18.742) 23.889 9.503 ( 1.056 -11.366 -11.727) 16.366 9.895 ( -5.540 6.930 -4.701) 10.041 10.007 ( -6.103 -1.493 -15.040) 16.300 10.443 ( -2.715 -2.908 -9.714) 10.497 10.721 ( -6.499 -6.061 6.068) 10.761 10.779 ( 3.161 1.398 6.222) 7.117 11.170 ( -1.698 5.926 10.554) 12.223 11.323 ( -13.511 7.527 15.088) 21.606 11.793 ( -10.391 0.679 -5.835) 11.937 11.882 ( -1.159 12.736 -16.240) 20.671 12.585 ( -0.213 2.677 -9.004) 9.396 13.440 ( 0.859 8.861 2.722) 9.310 13.519 ( 4.633 -4.029 4.718) 7.744 13.821 ( 14.081 7.031 2.147) 15.885 13.952 ( 4.392 -6.808 16.542) 18.420 14.427 ( 4.310 6.816 -3.962) 8.985 14.911 ( 11.689 -6.189 -3.437) 13.666 15.166 ( 4.685 -10.237 -0.662) 11.278 15.484 ( -13.330 22.970 8.749) 27.962 15.813 ( 6.572 -6.233 3.562) 9.733 16.654 ( -5.778 -38.204 5.781) 39.069 16.826 ( 17.222 -17.422 -8.268) 25.855 17.733 ( -7.005 -18.648 4.312) 20.382 17.890 ( -11.004 -2.559 2.277) 11.525 18.077 ( -10.200 2.619 2.708) 10.873 18.280 ( 3.038 4.385 1.837) 5.643 18.473 ( -3.328 -9.163 0.813) 9.783 18.852 ( 6.717 5.115 -5.126) 9.877 19.882 ( 11.602 10.543 1.500) 15.749 20.247 ( -5.220 21.171 -0.077) 21.805 21.301 ( -5.599 -24.649 -1.321) 25.311 21.639 ( 25.615 -21.647 -3.093) 33.679 22.393 ( -5.508 -4.184 -3.550) 7.775 22.556 ( -25.069 -11.013 -7.055) 28.275 22.816 ( -3.155 -10.924 -0.754) 11.395 23.076 ( -2.483 3.943 0.329) 4.671 23.207 ( 1.877 9.860 7.040) 12.260 23.456 ( -5.804 -3.270 -0.575) 6.687 23.896 ( -21.591 -11.491 -26.369) 35.966 24.728 ( 4.503 11.885 -0.626) 12.725 25.101 ( 6.507 -0.587 -1.635) 6.735 27.194 ( -3.403 25.801 -3.863) 26.309 28.296 ( 4.552 2.378 -4.438) 6.787 28.848 ( 3.976 -0.184 -13.230) 13.816 29.311 ( 8.881 -2.048 -2.077) 9.347 29.621 ( 8.231 8.228 -7.288) 13.731 29.866 ( -0.280 5.563 1.514) 5.772 30.097 ( -8.361 -3.412 -0.550) 9.047 30.398 ( -0.618 -6.436 -7.181) 9.663 30.803 ( -8.576 30.309 -5.932) 32.052 31.651 ( -16.945 43.614 -60.039) 76.119 33.321 ( 1.478 -1.161 4.069) 4.482 33.533 ( 3.241 8.045 10.129) 13.335 35.286 ( -0.361 8.642 -6.590) 10.874 35.603 ( 0.829 -6.235 -3.590) 7.242 35.873 ( -2.320 -0.364 9.709) 9.989 38.308 ( 37.541 -54.148 82.510) 105.590 ======================= Grid point 85 (33/126) ======================= q-point: (-0.12 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.000 34.030 33.067) 47.450 2.146 ( -0.000 44.769 52.815) 69.236 2.922 ( -0.000 1.098 3.676) 3.836 2.995 ( -0.000 73.831 58.622) 94.274 4.002 ( -0.000 4.712 -0.661) 4.758 4.412 ( -0.000 39.872 -8.075) 40.681 4.659 ( 0.000 -3.414 12.587) 13.042 5.611 ( 0.000 -1.869 11.033) 11.190 6.222 ( -0.000 30.394 -25.270) 39.527 6.803 ( -0.000 2.229 -6.046) 6.444 7.064 ( -0.000 3.333 2.003) 3.888 7.655 ( -0.000 2.978 -29.891) 30.039 7.895 ( 0.000 -37.655 -13.120) 39.876 8.281 ( -0.000 0.688 2.278) 2.380 8.692 ( 0.000 -22.745 21.603) 31.369 9.584 ( 0.000 -6.507 -13.994) 15.433 9.775 ( -0.000 4.923 -0.690) 4.972 9.953 ( 0.000 -0.956 -6.912) 6.978 10.315 ( -0.000 16.096 -11.793) 19.954 10.701 ( 0.000 -2.704 6.259) 6.819 10.821 ( 0.000 -1.974 6.574) 6.864 10.970 ( -0.000 20.756 18.523) 27.819 11.203 ( -0.000 4.248 13.245) 13.909 11.715 ( 0.000 -0.676 -6.854) 6.888 11.923 ( 0.000 -21.033 -12.723) 24.582 12.505 ( -0.000 7.749 -8.382) 11.415 13.335 ( -0.000 10.429 1.072) 10.484 13.638 ( 0.000 -9.910 -5.567) 11.367 13.980 ( -0.000 0.672 -1.038) 1.237 14.007 ( -0.000 8.070 -0.087) 8.070 14.233 ( -0.000 25.237 19.090) 31.644 15.155 ( 0.000 -27.834 25.767) 37.930 15.271 ( 0.000 -15.005 -3.162) 15.334 15.420 ( 0.000 -12.738 3.047) 13.097 15.937 ( 0.000 -6.988 -1.857) 7.230 16.999 ( 0.000 -29.553 10.225) 31.272 17.324 ( 0.000 -21.438 -0.595) 21.446 17.487 ( 0.000 -1.659 3.883) 4.223 17.887 ( -0.000 4.196 -4.258) 5.978 18.107 ( 0.000 -10.414 7.566) 12.872 18.285 ( 0.000 -3.928 4.456) 5.940 18.507 ( 0.000 -9.114 -1.670) 9.266 18.866 ( -0.000 3.640 -6.012) 7.028 19.904 ( -0.000 26.233 0.876) 26.248 19.939 ( -0.000 6.146 0.865) 6.206 21.503 ( 0.000 -21.394 -2.215) 21.508 22.110 ( -0.000 6.628 -7.552) 10.049 22.366 ( 0.000 -4.247 -1.803) 4.614 22.371 ( 0.000 -25.356 -2.872) 25.519 22.897 ( 0.000 -1.302 -3.123) 3.384 23.034 ( 0.000 -1.597 -0.681) 1.736 23.159 ( -0.000 3.653 8.850) 9.574 23.472 ( 0.000 -3.915 0.813) 3.998 23.567 ( -0.000 17.023 -37.333) 41.031 24.615 ( -0.000 14.350 1.131) 14.395 25.148 ( -0.000 1.142 -1.686) 2.036 26.906 ( -0.000 21.319 -1.917) 21.405 28.304 ( -0.000 2.910 -4.508) 5.366 28.881 ( 0.000 -0.231 -12.473) 12.475 29.401 ( -0.000 5.933 -14.749) 15.897 29.651 ( 0.000 -2.041 9.184) 9.408 29.929 ( -0.000 1.247 -0.625) 1.395 29.996 ( -0.000 3.196 0.775) 3.289 30.125 ( -0.000 60.299 -59.978) 85.049 30.528 ( -0.000 5.082 -3.501) 6.172 30.928 ( -0.000 43.093 -31.664) 53.475 33.265 ( -0.000 9.962 9.218) 13.572 33.535 ( 0.000 -1.753 8.346) 8.528 35.207 ( -0.000 5.980 -5.316) 8.001 35.596 ( -0.000 6.610 7.347) 9.883 35.922 ( 0.000 -9.528 -1.470) 9.641 39.494 ( 0.000 -89.421 78.328) 118.876 ======================= Grid point 88 (34/126) ======================= q-point: ( 0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 6.042 0.000 19.546) 20.459 3.467 ( 35.203 0.000 13.498) 37.702 3.920 ( 7.042 0.000 -1.105) 7.128 4.358 ( 15.049 0.000 10.875) 18.567 4.868 ( 23.834 0.000 -4.937) 24.340 5.083 ( 28.447 0.000 1.676) 28.496 5.374 ( 6.805 0.000 5.384) 8.677 5.751 ( 40.852 0.000 17.816) 44.568 5.761 ( -37.647 -0.000 -6.627) 38.226 6.414 ( 14.097 0.000 -4.591) 14.826 6.671 ( -47.730 -0.000 26.465) 54.576 6.846 ( 23.854 0.000 7.623) 25.042 7.917 ( 13.505 0.000 -4.884) 14.361 8.316 ( -8.678 -0.000 -10.698) 13.775 8.818 ( 0.217 0.000 -3.292) 3.299 9.099 ( -20.109 -0.000 -7.755) 21.553 9.587 ( 0.407 0.000 -9.643) 9.652 9.845 ( -10.424 -0.000 19.686) 22.276 10.403 ( 5.305 0.000 -22.075) 22.703 10.509 ( -1.099 -0.000 -2.783) 2.992 11.176 ( 8.948 0.000 -1.459) 9.066 11.295 ( 3.397 0.000 10.896) 11.413 11.928 ( -5.923 -0.000 -7.028) 9.191 12.462 ( -11.335 -0.000 -1.521) 11.437 12.672 ( 11.201 0.000 -11.070) 15.748 12.677 ( 10.263 0.000 2.362) 10.531 13.058 ( 12.175 0.000 3.630) 12.705 13.247 ( -9.003 -0.000 -22.595) 24.322 13.382 ( 13.668 0.000 8.490) 16.090 13.875 ( -30.231 -0.000 2.161) 30.308 14.037 ( 28.402 0.000 -8.100) 29.534 14.198 ( -8.471 -0.000 15.158) 17.365 14.716 ( 4.291 0.000 14.597) 15.215 15.089 ( -7.479 -0.000 0.487) 7.495 16.163 ( 4.726 0.000 1.904) 5.095 16.870 ( -37.272 -0.000 -5.284) 37.645 17.269 ( -27.370 -0.000 4.401) 27.722 17.508 ( 25.158 0.000 -8.374) 26.515 17.930 ( 13.058 0.000 0.732) 13.078 18.215 ( -3.945 -0.000 -1.191) 4.121 18.435 ( -4.164 -0.000 2.690) 4.957 18.884 ( 1.281 0.000 -0.404) 1.343 19.111 ( -15.441 -0.000 -1.015) 15.475 19.358 ( -1.519 -0.000 3.394) 3.719 19.472 ( 21.304 0.000 3.305) 21.559 20.828 ( -10.904 -0.000 -2.695) 11.232 21.416 ( -25.855 -0.000 -0.695) 25.865 22.597 ( 9.667 0.000 2.357) 9.951 22.659 ( 13.392 0.000 -3.118) 13.750 23.160 ( -0.858 -0.000 -0.564) 1.027 23.306 ( -14.508 -0.000 -1.319) 14.568 23.677 ( -7.703 -0.000 -9.375) 12.133 23.964 ( -21.215 -0.000 1.689) 21.282 24.133 ( 18.997 0.000 3.312) 19.284 24.384 ( -20.376 -0.000 -17.493) 26.855 24.821 ( 2.355 0.000 -0.125) 2.358 27.947 ( 1.055 0.000 -9.488) 9.546 28.179 ( 3.651 0.000 0.048) 3.651 28.443 ( 19.075 0.000 -34.251) 39.204 29.053 ( 1.214 0.000 -3.496) 3.701 29.480 ( 10.151 0.000 -9.878) 14.164 29.902 ( 2.831 0.000 9.524) 9.936 30.059 ( -11.363 -0.000 -5.810) 12.762 30.348 ( -3.400 -0.000 10.392) 10.934 31.683 ( 30.641 0.000 -25.182) 39.661 32.273 ( 25.168 0.000 -18.525) 31.250 32.923 ( -6.570 -0.000 9.777) 11.779 33.789 ( 0.204 0.000 6.675) 6.678 34.944 ( 0.272 0.000 1.077) 1.111 35.525 ( 1.245 0.000 22.286) 22.321 36.253 ( 6.738 0.000 0.916) 6.800 36.742 ( -30.028 -0.000 53.500) 61.351 ======================= Grid point 89 (35/126) ======================= q-point: ( 0.38 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( -13.511 -1.865 6.443) 15.084 3.894 ( 13.701 2.912 4.519) 14.718 3.989 ( 6.650 0.255 4.466) 8.015 4.620 ( 13.701 10.433 8.952) 19.409 5.061 ( -28.085 3.386 0.762) 28.299 5.278 ( 19.127 -0.809 -4.022) 19.562 5.546 ( 12.507 -0.796 9.748) 15.877 5.571 ( 20.813 -4.265 5.708) 21.999 5.895 ( -24.331 11.934 22.376) 35.144 6.356 ( 16.231 -17.739 12.190) 26.958 6.641 ( 14.683 1.671 -1.397) 14.843 7.334 ( 33.156 1.188 3.019) 33.314 7.952 ( 1.974 25.300 -3.304) 25.591 8.115 ( -5.428 13.240 -3.950) 14.845 8.749 ( -11.912 -3.801 -5.786) 13.778 8.814 ( -12.255 -6.180 -3.255) 14.106 9.696 ( 2.554 -4.632 -0.043) 5.289 9.754 ( -1.641 -9.440 3.798) 10.307 10.434 ( 0.576 3.507 -13.770) 14.221 10.502 ( -5.318 -6.876 -3.130) 9.239 11.284 ( -2.232 5.165 9.377) 10.936 11.370 ( 9.571 -2.864 -5.096) 11.215 11.821 ( -3.829 5.887 0.640) 7.052 12.101 ( -23.576 -6.231 4.120) 24.731 12.812 ( 7.827 9.997 -12.347) 17.710 12.917 ( 4.186 9.731 -7.237) 12.829 13.131 ( 9.268 -0.779 0.464) 9.313 13.267 ( 8.686 -13.092 -16.184) 22.556 13.362 ( -9.812 9.120 1.212) 13.451 13.736 ( 4.821 -21.578 3.582) 22.398 14.046 ( -3.522 9.483 11.134) 15.043 14.663 ( 25.243 -14.949 -1.382) 29.370 14.803 ( 10.083 8.724 0.964) 13.368 14.990 ( -0.243 -4.469 5.271) 6.915 16.122 ( -5.214 12.971 2.062) 14.131 16.318 ( -34.686 -8.764 -7.009) 36.456 16.941 ( -21.740 -17.433 9.015) 29.289 17.868 ( 16.238 18.116 -5.419) 24.924 17.995 ( 4.768 20.162 2.470) 20.865 18.089 ( 8.874 2.903 0.268) 9.340 18.341 ( -5.276 0.076 -0.676) 5.319 18.647 ( -13.211 8.690 1.437) 15.878 19.120 ( -5.321 -4.592 -2.343) 7.409 19.488 ( -1.129 -36.606 2.773) 36.728 19.774 ( 17.539 2.294 2.548) 17.871 20.714 ( -5.561 -2.316 -3.838) 7.143 21.071 ( -20.567 -6.011 1.337) 21.469 22.563 ( 5.697 17.773 0.447) 18.669 22.946 ( -1.689 -15.117 -0.440) 15.217 23.028 ( -12.459 5.987 -2.510) 14.049 23.123 ( -3.538 0.647 -2.306) 4.272 23.522 ( -15.408 -3.781 -7.582) 17.583 23.576 ( -21.655 -6.068 -3.742) 22.799 24.112 ( -3.237 13.220 -7.036) 15.321 24.482 ( 14.002 -8.630 -0.402) 16.453 24.884 ( 7.702 3.594 -0.138) 8.501 27.972 ( 4.635 4.793 -9.732) 11.797 28.237 ( 8.466 6.813 1.225) 10.935 28.647 ( 7.295 -0.226 -24.045) 25.128 29.109 ( 7.289 2.068 -2.312) 7.921 29.659 ( 7.470 -5.546 -7.572) 11.996 29.876 ( -8.740 1.130 -7.667) 11.681 29.958 ( -1.703 -5.619 5.647) 8.146 30.285 ( -5.058 -0.803 11.905) 12.960 32.079 ( 19.169 4.881 -27.721) 34.055 32.539 ( 17.068 15.039 -14.440) 26.944 32.848 ( -6.154 -6.070 9.500) 12.844 33.774 ( -0.070 -1.670 3.693) 4.054 34.994 ( 1.776 -3.737 0.087) 4.139 35.564 ( -0.368 -4.373 20.358) 20.825 36.350 ( -10.849 3.388 27.521) 29.775 36.406 ( 5.200 -4.545 21.846) 22.911 ======================= Grid point 90 (36/126) ======================= q-point: (-0.50 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -19.004 -1.680 2.707) 19.269 3.777 ( -7.446 19.801 11.788) 24.218 4.086 ( -15.570 6.562 3.253) 17.207 4.195 ( -15.900 13.640 9.374) 22.950 4.866 ( -0.001 6.533 6.431) 9.167 5.247 ( -17.893 -4.665 21.144) 28.089 5.672 ( 16.463 8.730 -6.931) 19.882 5.877 ( 24.217 11.979 7.194) 27.959 6.117 ( 28.274 -12.189 0.956) 30.805 6.793 ( 17.534 11.351 0.390) 20.891 6.826 ( 17.887 -9.467 12.381) 23.725 7.529 ( -10.713 28.535 -0.162) 30.480 7.649 ( 5.150 14.221 -5.675) 16.155 7.921 ( 5.485 8.666 2.520) 10.561 8.504 ( -11.745 3.461 -0.670) 12.263 8.948 ( 2.302 -19.354 -5.779) 20.329 9.756 ( -5.057 -18.166 10.037) 21.362 9.915 ( 2.830 -6.778 -15.162) 16.848 10.354 ( -4.104 6.898 -9.722) 12.608 10.477 ( -7.111 -8.020 3.636) 11.318 11.078 ( -12.722 7.339 3.192) 15.030 11.457 ( 7.537 10.457 4.081) 13.521 11.631 ( -11.986 -2.378 6.665) 13.919 12.111 ( 1.283 -15.708 -5.606) 16.728 12.488 ( -16.869 21.765 -7.323) 28.493 12.737 ( 1.394 23.811 -17.293) 29.461 13.263 ( 0.824 -3.150 9.614) 10.151 13.497 ( 22.829 -1.537 -0.869) 22.897 13.672 ( 16.664 -20.879 -16.269) 31.278 13.903 ( -0.638 10.316 9.932) 14.334 14.148 ( 12.381 -26.071 4.455) 29.203 14.577 ( -4.724 19.275 -5.577) 20.614 14.962 ( -7.165 -17.322 -0.711) 18.759 15.424 ( 23.793 -5.354 4.372) 24.777 15.792 ( -17.726 -1.430 3.893) 18.205 16.066 ( -7.881 -10.441 -9.100) 15.935 16.978 ( -6.449 -26.484 10.895) 29.355 17.330 ( -9.991 50.556 3.541) 51.655 18.089 ( -7.968 2.580 1.924) 8.593 18.257 ( 7.486 2.551 -3.063) 8.481 18.293 ( 7.348 -0.610 -0.634) 7.401 18.412 ( -9.065 -0.329 2.173) 9.328 19.015 ( -1.985 7.377 -2.985) 8.202 19.943 ( 11.338 -8.738 0.200) 14.316 20.027 ( 6.179 -35.363 2.604) 35.993 20.681 ( -2.623 -2.283 -3.895) 5.222 20.909 ( -12.029 -10.678 1.360) 16.142 22.381 ( -9.860 5.593 -0.253) 11.339 22.796 ( -15.834 -2.238 -3.220) 16.312 22.844 ( -18.484 -0.103 -5.612) 19.317 23.083 ( 3.007 2.717 0.274) 4.062 23.312 ( -8.524 -4.361 1.327) 9.666 23.578 ( -1.866 -11.530 -12.439) 17.063 23.915 ( -2.481 15.541 -2.243) 15.897 24.770 ( 11.214 -6.861 -1.250) 13.205 24.974 ( 9.702 5.996 -0.178) 11.407 27.950 ( 4.670 15.068 -8.308) 17.829 28.286 ( 7.246 6.473 1.041) 9.772 28.749 ( 6.408 -0.195 -17.925) 19.037 29.204 ( 5.881 1.427 0.369) 6.063 29.720 ( -2.772 1.049 -7.370) 7.943 29.862 ( 1.974 -9.622 -7.156) 12.153 29.966 ( -2.828 -2.218 3.105) 4.749 30.222 ( -5.355 -3.716 9.669) 11.661 32.041 ( 1.028 30.961 -15.008) 34.422 32.523 ( 0.906 13.633 -21.583) 25.544 32.923 ( 5.593 -9.422 0.879) 10.992 33.833 ( 4.299 0.391 4.766) 6.430 35.069 ( -0.422 -9.668 -2.314) 9.950 35.560 ( -3.436 -0.189 7.239) 8.015 36.148 ( -4.608 7.252 23.029) 24.579 36.741 ( 16.032 -21.324 36.385) 45.118 ======================= Grid point 91 (37/126) ======================= q-point: (-0.38 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -20.019 8.794 5.093) 22.451 3.265 ( -23.004 18.348 16.440) 33.706 3.465 ( -14.467 29.013 28.602) 43.234 4.153 ( 0.563 3.920 1.278) 4.162 4.774 ( -0.247 7.739 11.171) 13.592 5.149 ( 1.896 6.015 6.589) 9.121 5.530 ( -5.219 35.812 -1.315) 36.214 6.101 ( 21.924 20.414 6.022) 30.556 6.560 ( 5.372 6.432 -5.727) 10.150 6.892 ( 10.647 8.595 1.633) 13.781 6.923 ( 13.483 14.680 1.093) 19.962 7.386 ( -2.535 -0.162 0.743) 2.646 7.518 ( 11.559 -2.711 -2.499) 12.133 7.950 ( -5.268 -5.373 -1.120) 7.608 8.360 ( -3.357 2.541 2.903) 5.115 9.194 ( 2.202 -17.791 -9.309) 20.200 9.904 ( -4.759 -9.734 -5.422) 12.116 9.962 ( -3.208 -18.072 0.594) 18.364 10.149 ( -8.095 8.880 -4.542) 12.845 10.500 ( -3.942 -11.943 6.665) 14.233 10.863 ( -6.794 2.233 2.181) 7.477 11.410 ( 0.979 9.428 18.248) 20.563 11.551 ( 4.553 9.767 -4.930) 11.850 11.935 ( -16.201 17.950 -2.305) 24.290 12.326 ( 0.380 2.761 -19.921) 20.115 12.509 ( 1.510 11.540 -14.498) 18.591 13.337 ( 0.071 -8.395 14.866) 17.073 13.709 ( 4.358 10.655 6.033) 12.997 13.895 ( 11.996 1.741 3.251) 12.550 14.047 ( 6.335 3.415 -2.751) 7.705 14.413 ( 10.710 0.274 -13.219) 17.015 14.589 ( 5.971 -18.133 -1.456) 19.146 14.969 ( -5.093 -7.721 -2.285) 9.527 15.584 ( -13.614 -32.173 2.036) 34.995 15.712 ( -8.197 -18.053 6.430) 20.843 16.363 ( 21.850 16.537 -6.512) 28.166 16.658 ( -2.009 27.332 2.600) 27.529 17.243 ( 1.246 -26.441 11.867) 29.009 17.799 ( -26.950 -3.979 4.355) 27.588 18.209 ( -5.346 -2.162 2.193) 6.170 18.244 ( -4.424 6.241 0.797) 7.691 18.528 ( 13.363 7.033 -1.951) 15.227 18.963 ( 3.054 4.939 -5.331) 7.883 20.078 ( 10.365 7.667 1.216) 12.950 20.582 ( -1.244 -14.350 -1.160) 14.450 20.638 ( 1.430 -20.315 1.203) 20.401 20.963 ( -2.064 -28.009 -2.010) 28.156 22.248 ( -7.010 -6.114 -0.870) 9.343 22.535 ( -15.653 3.372 -7.447) 17.660 22.575 ( -16.617 -8.842 -2.453) 18.982 23.166 ( 10.943 4.985 2.876) 12.364 23.295 ( -0.922 -4.576 0.636) 4.711 23.577 ( -6.696 4.940 -11.889) 14.511 23.743 ( -2.863 5.215 -3.129) 6.722 24.943 ( 6.286 3.068 -3.832) 7.976 25.060 ( 6.457 0.770 1.247) 6.621 27.781 ( 2.349 26.434 -5.335) 27.069 28.333 ( 4.083 2.309 -1.404) 4.896 28.842 ( 4.230 -0.209 -12.945) 13.620 29.262 ( 2.682 -2.322 -2.386) 4.276 29.684 ( -2.727 0.643 -0.288) 2.816 29.932 ( 2.424 0.389 -1.571) 2.915 30.010 ( 2.309 -5.477 -2.292) 6.371 30.204 ( -5.211 -9.020 2.036) 10.614 31.604 ( -3.282 41.954 -8.601) 42.953 32.294 ( -6.642 19.237 -30.467) 36.639 33.135 ( 5.419 -10.397 -7.047) 13.679 33.836 ( 3.469 11.598 8.209) 14.627 35.206 ( -0.761 -17.323 -5.177) 18.096 35.490 ( -2.134 3.550 -2.681) 4.934 36.023 ( -0.772 9.226 15.003) 17.630 37.325 ( 16.049 -38.307 56.745) 70.321 ======================= Grid point 92 (38/126) ======================= q-point: (-0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -0.000 28.393 16.930) 33.058 2.965 ( -0.000 4.768 10.422) 11.461 2.986 ( -0.000 37.347 44.689) 58.240 4.104 ( -0.000 5.014 0.440) 5.034 4.659 ( -0.000 33.573 6.905) 34.276 4.807 ( -0.000 48.873 20.440) 52.975 5.185 ( -0.000 10.305 -8.640) 13.448 5.870 ( -0.000 43.670 10.212) 44.848 6.456 ( 0.000 -3.189 3.226) 4.536 7.031 ( -0.000 19.749 -19.477) 27.737 7.151 ( -0.000 4.359 1.179) 4.516 7.182 ( 0.000 -27.315 -9.021) 28.766 7.738 ( -0.000 4.480 -27.997) 28.353 8.065 ( 0.000 -30.032 30.201) 42.591 8.306 ( -0.000 1.678 1.492) 2.245 9.374 ( 0.000 -13.415 -12.284) 18.190 9.856 ( -0.000 0.862 -3.200) 3.314 9.989 ( -0.000 5.710 -4.153) 7.061 10.238 ( 0.000 -26.743 1.710) 26.798 10.578 ( 0.000 -8.857 4.182) 9.795 10.801 ( -0.000 0.346 4.660) 4.672 11.328 ( -0.000 7.089 16.553) 18.007 11.384 ( -0.000 29.904 3.929) 30.161 11.696 ( 0.000 -1.067 -7.021) 7.101 12.095 ( -0.000 26.095 -23.175) 34.900 12.572 ( 0.000 -6.310 -9.496) 11.401 13.429 ( 0.000 -7.753 12.052) 14.330 13.607 ( -0.000 11.327 8.393) 14.097 13.961 ( -0.000 7.535 10.633) 13.032 13.999 ( -0.000 1.006 -1.191) 1.559 14.542 ( -0.000 7.399 -14.468) 16.251 14.816 ( 0.000 -25.236 -1.770) 25.298 15.099 ( 0.000 -16.611 2.093) 16.743 15.578 ( -0.000 15.269 -8.794) 17.620 15.944 ( -0.000 30.799 11.246) 32.788 16.086 ( 0.000 -52.760 5.292) 53.025 16.953 ( 0.000 -15.372 -6.481) 16.682 17.446 ( 0.000 -1.982 4.139) 4.589 17.603 ( 0.000 -24.875 12.353) 27.774 18.113 ( -0.000 9.810 0.199) 9.812 18.193 ( 0.000 -4.216 3.852) 5.711 18.556 ( -0.000 7.495 -1.600) 7.664 18.952 ( -0.000 3.907 -6.380) 7.481 20.095 ( -0.000 7.678 1.041) 7.748 20.391 ( -0.000 18.924 0.101) 18.925 20.983 ( 0.000 -27.386 0.090) 27.386 21.467 ( 0.000 -50.879 -2.282) 50.930 22.231 ( 0.000 -2.555 -3.731) 4.522 22.323 ( -0.000 7.252 -5.694) 9.220 22.593 ( 0.000 -17.994 -1.037) 18.024 23.248 ( -0.000 4.201 8.468) 9.453 23.345 ( -0.000 18.754 -8.551) 20.612 23.359 ( 0.000 -6.314 0.652) 6.348 23.677 ( -0.000 0.201 -14.974) 14.976 24.902 ( -0.000 11.821 -2.817) 12.152 25.134 ( 0.000 -2.832 -0.152) 2.836 27.487 ( -0.000 30.301 -3.551) 30.508 28.348 ( -0.000 1.296 -3.101) 3.361 28.875 ( 0.000 -0.242 -10.888) 10.890 29.353 ( 0.000 -5.766 -7.341) 9.335 29.627 ( -0.000 0.177 5.839) 5.841 29.963 ( -0.000 1.745 -0.983) 2.003 30.051 ( -0.000 1.472 3.068) 3.403 30.279 ( 0.000 -12.308 -8.571) 14.998 31.124 ( -0.000 40.368 -7.650) 41.087 31.946 ( -0.000 33.485 -48.735) 59.131 33.279 ( 0.000 -8.376 -4.655) 9.583 33.708 ( -0.000 16.155 9.603) 18.793 35.339 ( 0.000 -1.495 -7.205) 7.359 35.480 ( 0.000 -10.409 -6.782) 12.423 35.919 ( -0.000 8.818 12.281) 15.119 37.980 ( 0.000 -54.738 71.914) 90.376 ======================= Grid point 97 (39/126) ======================= q-point: ( 0.38 -0.62 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( -17.259 -0.000 3.763) 17.665 4.026 ( 1.179 0.000 4.493) 4.645 4.086 ( 0.307 0.000 -0.037) 0.310 4.421 ( -39.639 -0.000 8.983) 40.644 4.914 ( 9.362 0.000 5.903) 11.067 5.151 ( -23.405 -0.000 29.822) 37.909 5.761 ( 23.745 0.000 -8.568) 25.244 5.967 ( 27.302 0.000 3.274) 27.498 6.130 ( 23.943 0.000 13.324) 27.400 6.522 ( 18.679 0.000 11.054) 21.705 6.928 ( 18.225 0.000 -2.276) 18.366 7.757 ( 17.350 0.000 -6.066) 18.379 8.025 ( -7.491 -0.000 -5.992) 9.593 8.337 ( 10.924 0.000 -5.489) 12.226 8.426 ( -18.457 -0.000 -2.960) 18.693 8.559 ( -11.153 -0.000 -3.292) 11.628 9.603 ( -3.826 -0.000 22.828) 23.146 9.826 ( 6.792 0.000 -13.468) 15.084 10.308 ( -7.905 -0.000 4.037) 8.876 10.494 ( -2.491 -0.000 -14.135) 14.353 11.159 ( -18.236 -0.000 6.736) 19.441 11.497 ( 8.769 0.000 -8.215) 12.016 11.678 ( -13.648 -0.000 20.908) 24.968 11.890 ( 2.127 0.000 -4.487) 4.966 12.875 ( -9.982 -0.000 -15.798) 18.687 13.038 ( 7.052 0.000 8.439) 10.998 13.351 ( -5.227 -0.000 -15.331) 16.198 13.355 ( 17.564 0.000 -16.469) 24.078 13.491 ( 25.961 0.000 -0.758) 25.972 13.616 ( 6.950 0.000 0.688) 6.984 14.048 ( -2.471 -0.000 5.767) 6.274 14.603 ( -6.598 -0.000 0.984) 6.671 14.885 ( -5.789 -0.000 -0.049) 5.789 15.370 ( 12.907 0.000 3.731) 13.435 15.729 ( -9.074 -0.000 -10.079) 13.562 16.257 ( 1.678 0.000 1.641) 2.347 16.462 ( -18.191 -0.000 17.739) 25.409 18.007 ( -12.872 -0.000 4.594) 13.667 18.179 ( 1.787 0.000 0.471) 1.848 18.244 ( -7.713 -0.000 1.947) 7.955 18.337 ( 23.255 0.000 -5.305) 23.852 18.592 ( -15.065 -0.000 -2.349) 15.247 18.941 ( 3.310 0.000 -2.955) 4.437 19.252 ( -3.434 -0.000 3.801) 5.122 20.035 ( 13.674 0.000 1.758) 13.787 20.585 ( -9.423 -0.000 -6.302) 11.336 20.830 ( -4.902 -0.000 4.211) 6.463 22.539 ( -19.397 -0.000 -0.909) 19.418 22.611 ( -22.242 -0.000 -1.031) 22.266 22.937 ( -12.342 -0.000 -7.676) 14.535 23.134 ( 1.948 0.000 -3.744) 4.220 23.259 ( -3.274 -0.000 7.360) 8.056 23.425 ( 0.793 0.000 -11.516) 11.544 24.128 ( -3.062 -0.000 -7.257) 7.876 24.653 ( 12.158 0.000 2.967) 12.515 25.045 ( 9.677 0.000 -1.073) 9.736 28.079 ( 5.324 0.000 -10.480) 11.755 28.436 ( 10.737 0.000 3.987) 11.454 28.739 ( 4.994 0.000 -17.958) 18.639 29.208 ( 3.642 0.000 -2.375) 4.348 29.718 ( 2.389 0.000 -2.521) 3.473 29.747 ( -6.286 -0.000 -9.646) 11.513 29.937 ( 1.995 0.000 1.595) 2.555 30.184 ( -6.814 -0.000 11.596) 13.450 32.381 ( 13.327 0.000 -26.847) 29.973 32.696 ( -7.012 -0.000 8.434) 10.968 32.912 ( 14.664 0.000 -16.263) 21.898 33.684 ( -4.755 -0.000 0.431) 4.775 35.045 ( 4.104 0.000 -1.207) 4.278 35.504 ( -3.357 -0.000 24.807) 25.033 36.247 ( -2.482 -0.000 33.164) 33.256 36.488 ( 7.119 0.000 11.145) 13.224 ======================= Grid point 99 (40/126) ======================= q-point: (-0.50 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -12.359 0.493 3.191) 12.774 3.611 ( -31.943 10.532 12.634) 35.929 3.962 ( -2.343 13.776 10.698) 17.598 4.225 ( 1.217 2.292 3.491) 4.350 4.858 ( -8.084 1.200 26.769) 27.989 5.041 ( -0.130 -6.691 6.404) 9.263 6.038 ( 14.176 10.678 -11.838) 21.334 6.296 ( 12.394 1.940 -2.993) 12.897 6.456 ( 23.382 1.794 7.738) 24.694 6.976 ( 21.163 -18.527 20.419) 34.757 7.152 ( 12.114 3.991 -0.555) 12.766 7.727 ( -9.985 35.837 -5.760) 37.645 7.868 ( 3.738 15.235 -10.604) 18.935 7.969 ( -7.926 8.464 -10.362) 15.551 8.417 ( -5.983 1.318 0.969) 6.203 8.717 ( 2.032 -26.950 -7.093) 27.942 9.602 ( 0.900 -4.357 22.752) 23.183 9.876 ( -2.301 -1.933 -11.316) 11.708 10.262 ( -2.474 -4.771 3.115) 6.212 10.329 ( -13.651 2.566 -0.497) 13.899 10.898 ( -8.950 1.090 0.210) 9.019 11.557 ( -1.784 4.290 21.395) 21.894 11.616 ( 5.346 -0.385 -7.944) 9.583 11.982 ( 1.012 -11.329 -5.926) 12.825 12.581 ( -6.751 26.710 -9.586) 29.170 13.012 ( 1.884 18.558 -8.614) 20.546 13.229 ( -1.251 1.735 -0.500) 2.196 13.787 ( 21.004 -9.972 -10.683) 25.587 13.858 ( 18.920 -1.238 -5.226) 19.667 13.924 ( 5.457 -11.466 3.515) 13.176 14.074 ( 8.730 -18.813 0.865) 20.758 14.546 ( -13.012 -17.721 -11.703) 24.906 14.693 ( -7.065 14.850 1.578) 16.521 15.055 ( -30.212 -12.646 -5.941) 33.287 15.865 ( -2.738 18.643 15.950) 24.687 16.279 ( 25.668 -3.326 -3.380) 26.103 16.638 ( 6.623 -27.309 12.985) 30.955 17.668 ( -16.324 15.942 5.123) 23.385 17.850 ( -16.871 34.766 0.120) 38.643 18.146 ( -5.321 -1.564 2.498) 6.083 18.395 ( 0.906 4.521 0.381) 4.627 18.637 ( 13.594 1.996 -3.392) 14.152 19.039 ( -0.508 0.404 -5.906) 5.941 19.491 ( 0.587 -48.425 3.149) 48.531 20.200 ( 9.119 3.001 1.390) 9.700 20.503 ( -6.165 -10.141 -4.161) 12.577 20.813 ( 0.872 2.861 1.919) 3.554 22.205 ( -12.837 2.484 -1.432) 13.153 22.338 ( -19.832 -9.129 -2.031) 21.927 22.685 ( -11.587 4.872 -8.329) 15.079 23.170 ( 0.759 -3.218 -0.321) 3.322 23.290 ( 5.468 3.328 6.896) 9.409 23.494 ( 1.351 -4.375 -13.149) 13.923 24.031 ( -1.432 10.941 -4.161) 11.793 24.835 ( 6.214 -6.167 1.935) 8.967 25.163 ( 6.866 3.618 -1.876) 7.984 28.131 ( 3.718 4.727 -10.888) 12.438 28.507 ( 6.715 12.504 4.785) 14.978 28.829 ( 4.588 -1.233 -12.021) 12.926 29.221 ( -2.155 -1.322 -3.787) 4.554 29.697 ( -1.255 0.534 -1.300) 1.885 29.764 ( 0.193 -9.515 -5.894) 11.194 29.984 ( 2.998 0.611 -0.978) 3.212 30.092 ( -5.857 -2.248 8.418) 10.498 32.395 ( 3.331 24.152 -18.788) 30.780 32.578 ( -4.348 7.132 2.947) 8.857 33.018 ( 6.723 4.578 -20.489) 22.045 33.757 ( -0.359 -17.891 -0.340) 17.897 35.060 ( 1.434 4.388 -0.817) 4.688 35.481 ( -2.679 -4.202 14.236) 15.083 36.209 ( 1.201 7.612 24.809) 25.978 36.693 ( 6.562 -19.126 26.555) 33.377 ======================= Grid point 100 (41/126) ======================= q-point: (-0.38 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -0.000 5.873 4.582) 7.449 3.199 ( -0.000 14.766 17.555) 22.939 3.702 ( -0.000 27.690 22.663) 35.782 4.202 ( -0.000 3.821 1.718) 4.190 4.803 ( -0.000 0.742 20.690) 20.703 5.115 ( 0.000 -7.422 2.284) 7.766 5.924 ( -0.000 30.606 -7.515) 31.515 6.377 ( -0.000 0.624 2.379) 2.460 6.747 ( 0.000 -13.274 -0.461) 13.282 7.058 ( -0.000 53.034 -2.114) 53.076 7.239 ( -0.000 6.284 1.224) 6.402 7.383 ( 0.000 -13.086 20.238) 24.101 7.703 ( -0.000 18.100 -0.727) 18.115 7.830 ( -0.000 3.927 -25.294) 25.597 8.346 ( -0.000 1.581 0.003) 1.581 8.997 ( 0.000 -22.432 -8.956) 24.154 9.717 ( 0.000 -15.046 17.813) 23.317 9.848 ( 0.000 -0.670 -7.209) 7.240 10.125 ( -0.000 5.351 1.804) 5.647 10.357 ( 0.000 -10.349 3.570) 10.947 10.825 ( -0.000 1.572 -1.190) 1.971 11.485 ( -0.000 6.860 19.896) 21.046 11.673 ( 0.000 -1.056 -7.347) 7.422 12.044 ( -0.000 14.902 -3.293) 15.262 12.274 ( -0.000 4.061 -10.490) 11.249 12.769 ( -0.000 26.952 -22.197) 34.915 13.256 ( 0.000 -6.088 11.584) 13.086 13.837 ( -0.000 8.207 6.686) 10.585 14.021 ( -0.000 0.995 -1.208) 1.565 14.222 ( -0.000 8.112 -10.051) 12.916 14.313 ( 0.000 -19.282 -0.698) 19.294 14.668 ( 0.000 -6.130 -25.801) 26.519 14.761 ( 0.000 -13.401 1.512) 13.486 14.843 ( 0.000 -46.071 5.597) 46.410 15.668 ( -0.000 8.797 14.551) 17.003 16.629 ( 0.000 -14.478 -3.482) 14.891 17.057 ( 0.000 -21.753 11.648) 24.675 17.117 ( -0.000 57.694 3.135) 57.780 17.409 ( 0.000 -1.304 4.302) 4.496 18.121 ( 0.000 -2.350 3.288) 4.042 18.332 ( -0.000 9.093 1.331) 9.190 18.708 ( -0.000 5.522 -2.283) 5.976 19.019 ( -0.000 2.199 -6.679) 7.032 20.086 ( 0.000 -56.360 1.343) 56.376 20.237 ( -0.000 5.023 1.181) 5.159 20.609 ( 0.000 -15.608 -3.830) 16.072 20.752 ( -0.000 4.804 1.637) 5.075 22.143 ( 0.000 -3.552 -1.968) 4.061 22.257 ( 0.000 -12.286 -1.450) 12.371 22.518 ( -0.000 8.262 -7.932) 11.454 23.223 ( 0.000 -5.791 0.610) 5.823 23.323 ( -0.000 2.589 8.321) 8.715 23.518 ( 0.000 -1.072 -18.026) 18.058 23.869 ( -0.000 15.985 -1.041) 16.019 24.959 ( 0.000 -6.825 -0.396) 6.836 25.165 ( -0.000 6.353 -1.301) 6.485 28.054 ( -0.000 17.230 -9.157) 19.512 28.426 ( -0.000 9.808 3.134) 10.297 28.871 ( 0.000 -0.168 -9.176) 9.177 29.231 ( 0.000 -4.637 -6.839) 8.263 29.658 ( -0.000 2.241 2.317) 3.223 29.947 ( 0.000 -17.130 -5.162) 17.890 29.997 ( -0.000 1.338 -0.903) 1.614 30.052 ( 0.000 -1.117 4.961) 5.085 32.041 ( -0.000 41.623 -11.209) 43.106 32.419 ( -0.000 14.355 -12.098) 18.774 33.092 ( 0.000 -6.508 -17.716) 18.873 33.904 ( 0.000 -5.234 3.453) 6.270 35.065 ( 0.000 -6.160 -1.376) 6.311 35.489 ( 0.000 -0.607 2.476) 2.549 36.122 ( -0.000 9.576 16.729) 19.276 37.048 ( 0.000 -33.672 44.342) 55.678 ======================= Grid point 108 (42/126) ======================= q-point: (-0.50 0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 0.000 -0.000 3.279) 3.279 3.388 ( -0.000 0.000 16.586) 16.586 4.039 ( -0.000 0.000 6.714) 6.714 4.248 ( 0.000 -0.000 2.823) 2.823 4.770 ( 0.000 -0.000 33.437) 33.437 5.016 ( -0.000 0.000 4.030) 4.030 6.239 ( 0.000 -0.000 -15.566) 15.566 6.374 ( 0.000 -0.000 -9.230) 9.230 6.684 ( -0.000 0.000 13.181) 13.181 7.067 ( 0.000 -0.000 28.813) 28.813 7.251 ( 0.000 -0.000 0.029) 0.029 7.817 ( 0.000 -0.000 -25.217) 25.217 8.016 ( -0.000 0.000 -13.113) 13.113 8.016 ( -0.000 0.000 -4.235) 4.235 8.312 ( 0.000 -0.000 2.273) 2.273 8.565 ( 0.000 -0.000 -8.061) 8.061 9.613 ( 0.000 -0.000 29.650) 29.650 9.840 ( 0.000 -0.000 -8.159) 8.159 10.186 ( 0.000 -0.000 5.110) 5.110 10.225 ( -0.000 0.000 2.402) 2.402 10.847 ( 0.000 -0.000 -4.384) 4.384 11.572 ( 0.000 -0.000 23.101) 23.101 11.657 ( 0.000 -0.000 -9.434) 9.434 11.923 ( 0.000 -0.000 -6.240) 6.240 12.703 ( 0.000 -0.000 -13.432) 13.432 13.116 ( -0.000 0.000 11.636) 11.636 13.274 ( 0.000 -0.000 -19.008) 19.008 13.826 ( 0.000 -0.000 6.157) 6.157 13.972 ( 0.000 -0.000 0.890) 0.890 14.049 ( -0.000 0.000 -0.034) 0.034 14.076 ( 0.000 -0.000 -1.478) 1.478 14.312 ( 0.000 -0.000 -41.525) 41.525 14.604 ( 0.000 -0.000 1.356) 1.356 14.749 ( 0.000 -0.000 1.765) 1.765 15.992 ( -0.000 0.000 25.237) 25.237 16.282 ( 0.000 -0.000 1.666) 1.666 16.788 ( 0.000 -0.000 4.029) 4.029 17.395 ( 0.000 -0.000 4.355) 4.355 18.096 ( -0.000 0.000 3.060) 3.060 18.147 ( -0.000 0.000 1.404) 1.404 18.373 ( 0.000 -0.000 -1.260) 1.260 18.746 ( 0.000 -0.000 -4.886) 4.886 19.042 ( 0.000 -0.000 -6.790) 6.790 19.172 ( -0.000 0.000 6.435) 6.435 20.293 ( 0.000 -0.000 1.238) 1.238 20.394 ( 0.000 -0.000 -3.294) 3.294 20.855 ( 0.000 -0.000 0.847) 0.847 22.103 ( 0.000 -0.000 -1.924) 1.924 22.117 ( 0.000 -0.000 -1.691) 1.691 22.618 ( 0.000 -0.000 -8.443) 8.443 23.151 ( 0.000 -0.000 0.790) 0.790 23.352 ( 0.000 -0.000 8.317) 8.317 23.496 ( -0.000 0.000 -14.662) 14.662 24.082 ( 0.000 -0.000 -4.952) 4.952 24.848 ( 0.000 -0.000 3.217) 3.217 25.241 ( 0.000 -0.000 -2.563) 2.563 28.182 ( 0.000 -0.000 -10.945) 10.945 28.648 ( 0.000 -0.000 5.619) 5.619 28.869 ( 0.000 -0.000 -8.438) 8.438 29.179 ( 0.000 -0.000 -7.097) 7.097 29.690 ( 0.000 -0.000 0.089) 0.089 29.702 ( 0.000 -0.000 -4.720) 4.720 30.017 ( 0.000 -0.000 -1.323) 1.323 30.028 ( 0.000 -0.000 6.936) 6.936 32.565 ( -0.000 0.000 7.551) 7.551 32.580 ( 0.000 -0.000 -22.647) 22.647 33.140 ( 0.000 -0.000 -21.747) 21.747 33.597 ( -0.000 0.000 -1.209) 1.209 35.117 ( 0.000 -0.000 -4.764) 4.764 35.425 ( -0.000 0.000 20.129) 20.129 36.283 ( 0.000 -0.000 32.300) 32.300 36.616 ( -0.000 0.000 16.846) 16.846 ======================= Grid point 138 (43/126) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.000 0.000 21.839) 21.839 2.400 ( 0.000 0.000 53.589) 53.589 3.015 ( 0.000 0.000 16.667) 16.667 3.816 ( 0.000 0.000 0.214) 0.214 4.012 ( 0.000 0.000 -1.077) 1.077 4.255 ( 0.000 0.000 73.130) 73.130 5.125 ( 0.000 0.000 21.627) 21.627 5.303 ( 0.000 0.000 -0.339) 0.339 5.851 ( 0.000 0.000 9.819) 9.819 6.875 ( 0.000 0.000 5.845) 5.845 6.905 ( 0.000 0.000 -36.589) 36.589 7.105 ( 0.000 0.000 5.165) 5.165 8.278 ( 0.000 0.000 -1.143) 1.143 8.289 ( 0.000 0.000 -15.248) 15.248 8.717 ( 0.000 0.000 4.489) 4.489 9.318 ( 0.000 0.000 -17.669) 17.669 9.594 ( 0.000 0.000 -9.383) 9.383 9.731 ( 0.000 0.000 -15.415) 15.415 10.493 ( 0.000 0.000 11.009) 11.009 10.961 ( 0.000 0.000 24.778) 24.778 10.970 ( 0.000 0.000 13.392) 13.392 10.994 ( 0.000 0.000 7.014) 7.014 11.464 ( 0.000 0.000 17.101) 17.101 11.524 ( 0.000 0.000 -11.785) 11.785 11.622 ( 0.000 0.000 -36.040) 36.040 12.790 ( 0.000 0.000 5.509) 5.509 12.988 ( 0.000 0.000 -11.834) 11.834 13.312 ( 0.000 0.000 -0.323) 0.323 13.537 ( 0.000 0.000 -12.000) 12.000 13.945 ( 0.000 0.000 -1.625) 1.625 14.544 ( 0.000 0.000 22.942) 22.942 15.379 ( 0.000 0.000 -1.603) 1.603 15.599 ( 0.000 0.000 -36.553) 36.553 15.614 ( 0.000 0.000 1.259) 1.259 16.139 ( 0.000 0.000 10.637) 10.637 17.475 ( 0.000 0.000 3.718) 3.718 17.615 ( 0.000 0.000 6.419) 6.419 17.666 ( 0.000 0.000 -9.704) 9.704 17.947 ( 0.000 0.000 -22.958) 22.958 18.174 ( 0.000 0.000 1.745) 1.745 18.461 ( 0.000 0.000 7.156) 7.156 18.526 ( 0.000 0.000 0.651) 0.651 18.664 ( 0.000 0.000 -8.816) 8.816 19.604 ( 0.000 0.000 7.017) 7.017 19.886 ( 0.000 0.000 0.900) 0.900 21.591 ( 0.000 0.000 -9.158) 9.158 21.877 ( 0.000 0.000 -7.063) 7.063 22.358 ( 0.000 0.000 -3.278) 3.278 22.394 ( 0.000 0.000 -3.219) 3.219 22.469 ( 0.000 0.000 1.309) 1.309 23.006 ( 0.000 0.000 -3.358) 3.358 23.262 ( 0.000 0.000 -2.226) 2.226 23.324 ( 0.000 0.000 9.859) 9.859 23.539 ( 0.000 0.000 1.256) 1.256 24.536 ( 0.000 0.000 7.645) 7.645 25.138 ( 0.000 0.000 1.116) 1.116 26.729 ( 0.000 0.000 1.778) 1.778 28.066 ( 0.000 0.000 -8.798) 8.798 28.141 ( 0.000 0.000 -7.757) 7.757 28.592 ( 0.000 0.000 -14.192) 14.192 29.205 ( 0.000 0.000 -16.978) 16.978 29.898 ( 0.000 0.000 -1.369) 1.369 29.922 ( 0.000 0.000 -1.282) 1.282 29.930 ( 0.000 0.000 11.622) 11.622 30.407 ( 0.000 0.000 -0.317) 0.317 30.740 ( 0.000 0.000 2.419) 2.419 33.423 ( 0.000 0.000 15.223) 15.223 33.947 ( 0.000 0.000 21.194) 21.194 35.065 ( 0.000 0.000 -4.006) 4.006 35.885 ( 0.000 0.000 22.170) 22.170 35.893 ( 0.000 0.000 -8.327) 8.327 41.025 ( 0.000 0.000 0.477) 0.477 ======================= Grid point 139 (44/126) ======================= q-point: ( 0.12 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 37.478 -7.538 13.788) 40.639 2.740 ( 17.163 -32.872 43.213) 56.943 3.279 ( 25.589 -4.979 18.412) 31.916 3.945 ( 7.349 -9.535 3.521) 12.543 4.095 ( 5.675 -7.900 -0.088) 9.727 4.319 ( 3.876 -5.366 44.824) 45.310 5.058 ( 4.025 3.387 35.330) 35.719 5.473 ( -2.803 -24.463 3.406) 24.858 5.938 ( 8.881 0.528 7.313) 11.516 6.803 ( -11.016 1.508 -20.787) 23.574 6.854 ( -4.193 -1.427 -5.746) 7.255 7.190 ( 8.835 -1.890 2.569) 9.393 8.038 ( -2.111 31.021 -7.834) 32.065 8.302 ( 3.013 -0.489 -1.202) 3.281 8.810 ( -12.161 -22.328 6.608) 26.270 9.335 ( 3.389 3.870 -18.162) 18.876 9.640 ( 2.044 -4.302 -10.952) 11.942 9.699 ( -2.822 0.470 -16.453) 16.700 10.279 ( -5.421 16.131 7.349) 18.537 10.898 ( -10.353 -6.397 14.560) 18.977 11.032 ( 6.817 3.393 6.696) 10.140 11.186 ( 9.150 -10.937 9.859) 17.336 11.418 ( -2.315 -0.001 -6.701) 7.090 11.604 ( 12.394 6.146 -9.903) 17.013 11.839 ( 19.979 -4.088 -3.948) 20.771 12.510 ( -2.526 23.376 2.125) 23.608 13.165 ( -4.215 -16.764 -15.077) 22.938 13.306 ( -1.751 -2.794 -2.214) 3.971 13.564 ( -13.091 -18.712 -4.117) 23.205 13.870 ( -6.243 -5.176 -0.816) 8.151 14.685 ( 11.086 -3.870 20.387) 23.527 15.111 ( -28.558 18.471 -17.965) 38.465 15.366 ( 1.708 6.512 -0.273) 6.738 15.743 ( -3.681 10.211 3.858) 11.520 15.960 ( -3.536 1.779 3.485) 5.273 17.081 ( -35.600 15.211 -1.754) 38.753 17.412 ( 2.153 15.484 5.793) 16.672 17.690 ( -0.601 -4.292 -9.390) 10.342 18.061 ( 28.000 5.970 3.576) 28.852 18.144 ( -8.716 -6.515 2.175) 11.097 18.389 ( -5.922 10.451 1.853) 12.154 18.643 ( -3.073 -0.361 -5.826) 6.596 18.734 ( 13.761 4.391 -3.518) 14.867 19.671 ( -4.176 -13.205 5.289) 14.825 19.844 ( -7.382 -10.342 0.118) 12.707 21.514 ( -9.549 0.637 -6.731) 11.700 21.808 ( -5.182 7.390 -6.286) 10.999 22.239 ( -1.032 8.400 -5.694) 10.200 22.629 ( 0.098 -13.038 2.059) 13.200 22.918 ( 43.980 6.640 -26.840) 51.949 22.996 ( 10.602 11.533 -5.613) 16.641 23.249 ( -0.351 -1.755 0.529) 1.867 23.463 ( 13.973 -0.603 4.950) 14.836 23.570 ( 6.897 0.056 -1.027) 6.973 24.564 ( -1.827 -6.171 4.178) 7.673 25.097 ( -3.342 3.844 0.762) 5.150 26.727 ( -0.853 -8.596 -0.691) 8.665 28.067 ( -8.559 -6.367 -9.393) 14.214 28.264 ( -6.643 -29.394 -13.057) 32.842 28.700 ( 9.573 -4.358 -14.370) 17.808 29.136 ( -8.156 -2.315 -13.692) 16.104 29.945 ( 5.801 1.137 8.711) 10.528 30.059 ( 14.326 0.067 -7.526) 16.183 30.089 ( 15.190 -5.302 -1.592) 16.167 30.428 ( 1.786 -4.158 0.795) 4.595 30.785 ( 6.007 -2.172 1.796) 6.635 33.435 ( -1.898 -4.890 14.449) 15.372 33.937 ( 1.664 4.982 20.361) 21.028 35.068 ( -1.903 -4.181 -2.998) 5.485 35.803 ( 1.271 10.668 2.085) 10.944 36.003 ( 3.333 -9.318 13.063) 16.388 40.435 ( -47.386 27.613 20.831) 58.668 ======================= Grid point 140 (45/126) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 32.868 -5.453 5.652) 33.794 3.388 ( 16.887 -26.407 25.614) 40.479 3.786 ( 26.573 -6.737 31.012) 41.392 4.150 ( 10.309 0.650 -0.605) 10.347 4.304 ( 2.260 -16.195 11.223) 19.833 4.546 ( 12.177 -19.848 -4.383) 23.695 5.244 ( 11.036 -8.254 30.428) 33.403 5.763 ( 8.782 -26.559 24.311) 37.061 6.028 ( 5.015 5.549 5.733) 9.424 6.523 ( -20.120 1.350 -12.949) 23.965 6.820 ( -2.240 -3.099 3.382) 5.105 7.380 ( 11.256 -1.471 -1.132) 11.408 7.686 ( -3.179 25.271 0.342) 25.472 8.375 ( 3.001 -1.639 -1.219) 3.630 8.721 ( -14.847 -3.357 16.759) 22.640 9.278 ( -4.747 6.944 -15.339) 17.494 9.661 ( -2.795 -1.460 -12.252) 12.651 9.677 ( -0.683 -0.588 -16.073) 16.099 10.184 ( 2.980 -3.651 -6.281) 7.852 10.817 ( -8.590 -6.432 8.137) 13.467 11.095 ( 7.185 7.992 4.683) 11.723 11.248 ( -6.042 1.487 -3.888) 7.337 11.497 ( 9.287 -3.312 -9.766) 13.878 11.778 ( 16.513 6.564 -6.445) 18.902 12.164 ( 22.033 8.588 11.261) 26.192 12.414 ( 5.021 -0.825 -5.557) 7.534 13.184 ( -4.980 -9.957 -13.488) 17.489 13.361 ( -12.459 -10.739 -1.892) 16.557 13.434 ( -6.766 -10.785 -0.830) 12.758 13.988 ( -0.903 -18.528 0.505) 18.557 14.448 ( -23.372 22.661 -10.158) 34.102 14.813 ( 0.383 3.459 14.997) 15.395 15.242 ( -6.765 12.325 2.580) 14.295 15.491 ( -22.212 -11.540 13.055) 28.231 16.004 ( 12.017 8.105 3.340) 14.875 16.614 ( -3.025 11.189 -9.021) 14.688 17.270 ( 9.538 28.166 3.240) 29.913 17.688 ( -8.882 -5.395 -8.392) 13.357 17.985 ( -14.168 -3.611 2.574) 14.846 18.120 ( -7.888 12.259 4.167) 15.161 18.499 ( 17.031 3.932 1.225) 17.522 18.596 ( 0.275 -3.920 -1.222) 4.115 18.816 ( 12.030 9.559 1.039) 15.400 19.642 ( -10.667 -8.339 1.624) 13.637 20.006 ( -1.974 -28.141 0.704) 28.219 21.283 ( -18.407 0.912 -3.376) 18.736 21.624 ( 5.879 22.829 -5.509) 24.209 22.112 ( -12.986 -1.129 -8.442) 15.530 22.749 ( 5.725 -3.996 -2.055) 7.278 23.022 ( 11.675 13.239 -4.795) 18.291 23.259 ( -0.898 1.322 1.629) 2.282 23.333 ( 25.502 8.186 -10.723) 28.850 23.627 ( 9.932 2.286 2.350) 10.459 23.793 ( 13.735 5.734 -18.759) 23.947 24.561 ( -7.801 -6.473 0.447) 10.147 24.942 ( -9.177 5.508 -0.482) 10.714 26.961 ( 11.794 -15.561 -8.361) 21.240 27.975 ( -10.549 -4.967 -9.682) 15.156 28.401 ( -7.040 -17.378 -14.102) 23.461 28.808 ( -6.897 -3.624 -15.435) 17.290 29.146 ( 5.378 -9.110 -11.502) 15.627 30.024 ( 1.221 0.399 3.254) 3.499 30.171 ( 3.648 1.061 -4.703) 6.046 30.419 ( 16.327 0.111 -2.006) 16.450 30.632 ( 9.631 -17.299 -3.775) 20.156 31.075 ( 22.602 -9.669 -9.119) 26.220 33.460 ( -3.183 -7.139 12.406) 14.663 33.878 ( 0.223 9.267 18.871) 21.025 35.112 ( -1.745 -9.888 -1.423) 10.141 35.690 ( 1.548 14.755 -0.896) 14.863 36.220 ( 10.020 -12.966 20.738) 26.430 39.259 ( -54.620 32.043 42.400) 76.209 ======================= Grid point 141 (46/126) ======================= q-point: ( 0.38 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( 23.037 0.551 0.957) 23.063 3.730 ( 0.532 -9.804 17.271) 19.867 4.123 ( 4.369 -12.321 18.340) 22.522 4.239 ( 7.051 3.411 4.985) 9.285 4.652 ( 20.620 -11.992 4.566) 24.287 4.993 ( 11.113 -18.232 -3.732) 21.676 5.432 ( 0.564 -10.289 11.180) 15.204 5.875 ( -13.391 9.298 5.899) 17.337 6.165 ( 9.970 1.705 6.399) 11.969 6.396 ( 1.970 -12.100 10.806) 16.343 6.920 ( 11.293 -10.841 24.764) 29.297 7.424 ( -4.400 8.707 7.718) 12.440 7.541 ( 6.811 0.407 2.440) 7.247 8.229 ( -21.630 7.158 18.757) 29.512 8.625 ( 8.777 5.084 2.199) 10.379 9.057 ( -12.415 6.732 -11.174) 18.009 9.646 ( -4.824 -11.108 -12.248) 17.224 9.711 ( 5.331 4.579 -20.151) 21.341 10.333 ( 1.772 -13.470 -7.521) 15.529 10.724 ( -3.905 8.615 3.216) 9.990 11.059 ( -3.395 -0.920 -4.665) 5.843 11.154 ( 3.473 11.524 2.258) 12.245 11.712 ( 7.083 -13.063 -7.964) 16.859 11.955 ( 14.015 6.074 -12.309) 19.617 12.364 ( 3.001 3.974 -6.975) 8.570 12.474 ( 7.954 3.151 -2.668) 8.961 13.069 ( -10.179 -5.090 1.959) 11.548 13.548 ( 6.352 -17.273 -9.192) 20.572 13.567 ( 6.797 -9.902 -1.829) 12.149 13.901 ( -9.336 8.932 -2.203) 13.107 14.130 ( -5.277 1.602 9.759) 11.210 14.697 ( -12.925 -4.679 6.060) 15.022 14.892 ( -16.256 9.025 4.492) 19.128 15.244 ( -13.058 6.612 4.103) 15.201 16.248 ( 12.748 -15.114 6.589) 20.841 16.647 ( 16.814 12.575 -10.000) 23.256 17.116 ( 11.791 30.956 3.498) 33.309 17.469 ( -23.799 -4.498 -4.921) 24.715 17.837 ( -10.208 -5.080 1.508) 11.502 17.890 ( -5.737 8.127 5.029) 11.147 18.523 ( -2.592 -4.983 -2.040) 5.975 18.633 ( 2.774 9.134 0.340) 9.552 19.087 ( 24.042 2.506 3.649) 24.447 19.552 ( -12.335 -7.570 1.848) 14.590 20.304 ( 1.008 -28.015 0.205) 28.034 20.954 ( -14.033 10.973 -1.221) 17.855 21.553 ( 13.991 19.601 -6.342) 24.903 21.870 ( -19.966 -5.077 -7.645) 21.974 22.873 ( 6.707 0.096 -4.516) 8.086 23.068 ( 5.026 9.698 -7.350) 13.166 23.266 ( 5.001 -5.588 1.801) 7.712 23.630 ( 19.260 4.472 -2.985) 19.996 23.723 ( 3.561 7.666 -2.869) 8.926 23.791 ( 0.406 5.772 -11.605) 12.967 24.497 ( -8.682 -9.301 0.497) 12.733 24.726 ( -9.861 5.787 -2.296) 11.661 27.326 ( 14.761 -10.760 -11.069) 21.359 27.836 ( -11.320 -0.924 -9.819) 15.014 28.458 ( -1.053 -6.977 -13.350) 15.100 28.671 ( -9.552 0.329 -13.482) 16.526 29.386 ( 9.567 -10.645 -11.398) 18.296 29.900 ( -8.261 7.878 -7.744) 13.794 30.291 ( 5.717 -6.443 5.973) 10.482 30.510 ( 2.573 5.448 4.885) 7.757 31.077 ( 16.757 -19.796 -13.309) 29.152 31.473 ( 12.494 -3.237 -17.870) 22.044 33.500 ( -0.984 -7.747 11.337) 13.766 33.756 ( -2.334 9.770 17.052) 19.791 35.221 ( -1.492 -14.792 -1.131) 14.910 35.539 ( 1.551 17.723 -1.664) 17.868 36.620 ( 20.686 -17.798 29.590) 40.253 38.145 ( -45.204 27.785 45.107) 69.642 ======================= Grid point 142 (47/126) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.663 ( -14.411 -3.292 5.198) 15.669 3.663 ( 14.411 3.292 5.198) 15.669 4.260 ( -3.261 -9.924 9.289) 13.979 4.260 ( 3.261 9.924 9.289) 13.979 5.060 ( -4.789 -0.662 -1.089) 4.956 5.060 ( 4.789 0.662 -1.089) 4.956 5.570 ( 1.679 -8.003 13.021) 15.375 5.570 ( -1.679 8.003 13.021) 15.375 6.339 ( -13.150 0.674 -0.607) 13.181 6.339 ( 13.150 -0.674 -0.607) 13.181 7.297 ( -12.605 -6.563 25.618) 29.296 7.297 ( 12.605 6.563 25.618) 29.296 7.741 ( 5.527 -17.004 16.350) 24.228 7.741 ( -5.527 17.004 16.350) 24.228 8.795 ( -10.616 0.384 -6.713) 12.566 8.795 ( 10.616 -0.384 -6.713) 12.566 9.709 ( -4.526 -10.962 -16.928) 20.669 9.709 ( 4.526 10.962 -16.928) 20.669 10.523 ( -6.122 -22.492 -3.251) 23.536 10.523 ( 6.122 22.492 -3.251) 23.536 11.082 ( -5.605 -13.952 0.155) 15.037 11.082 ( 5.605 13.952 0.155) 15.037 11.957 ( 2.331 -13.881 -13.084) 19.217 11.957 ( -2.331 13.881 -13.084) 19.217 12.404 ( -12.777 -3.837 -6.081) 14.662 12.404 ( 12.777 3.837 -6.081) 14.662 13.266 ( 11.406 -15.136 -7.272) 20.299 13.266 ( -11.406 15.136 -7.272) 20.299 13.903 ( 2.839 -10.352 7.479) 13.083 13.903 ( -2.839 10.352 7.479) 13.083 14.228 ( 22.331 -20.535 6.553) 31.037 14.228 ( -22.331 20.535 6.553) 31.037 14.957 ( 2.608 -21.432 -0.119) 21.590 14.957 ( -2.608 21.432 -0.119) 21.590 16.605 ( -6.276 -30.680 1.148) 31.336 16.605 ( 6.276 30.680 1.148) 31.336 17.146 ( -23.506 -13.551 -1.669) 27.184 17.146 ( 23.506 13.551 -1.669) 27.184 17.789 ( -5.883 -9.048 2.864) 11.166 17.789 ( 5.883 9.048 2.864) 11.166 18.566 ( -3.017 -9.364 -1.011) 9.890 18.566 ( 3.017 9.364 -1.011) 9.890 19.385 ( -17.773 -5.144 2.975) 18.740 19.385 ( 17.773 5.144 2.975) 18.740 20.624 ( 6.206 -21.216 -0.288) 22.107 20.624 ( -6.206 21.216 -0.288) 22.107 21.646 ( -20.103 -16.921 -6.948) 27.179 21.646 ( 20.103 16.921 -6.948) 27.179 22.978 ( -0.775 -1.842 -4.781) 5.181 22.978 ( 0.775 1.842 -4.781) 5.181 23.508 ( 8.798 -11.676 -6.333) 15.932 23.508 ( -8.798 11.676 -6.333) 15.932 23.791 ( -7.786 -8.812 -1.103) 11.811 23.791 ( 7.786 8.812 -1.103) 11.811 24.540 ( -0.456 -10.425 -1.819) 10.593 24.540 ( 0.456 10.425 -1.819) 10.593 27.628 ( -6.211 -3.060 -10.425) 12.515 27.628 ( 6.211 3.060 -10.425) 12.515 28.538 ( -8.733 -12.723 -13.192) 20.302 28.538 ( 8.733 12.723 -13.192) 20.302 29.654 ( 8.614 -9.554 -9.842) 16.197 29.654 ( -8.614 9.554 -9.842) 16.197 30.437 ( -2.502 -9.488 6.244) 11.630 30.437 ( 2.502 9.488 6.244) 11.630 31.460 ( 0.241 -13.548 -17.271) 21.952 31.460 ( -0.241 13.548 -17.271) 21.952 33.609 ( -6.250 -14.881 13.613) 21.115 33.609 ( 6.250 14.881 13.613) 21.115 35.372 ( -1.822 -17.884 -1.508) 18.040 35.372 ( 1.822 17.884 -1.508) 18.040 37.259 ( 22.968 -19.802 38.635) 49.115 37.259 ( -22.968 19.802 38.635) 49.115 ======================= Grid point 148 (48/126) ======================= q-point: ( 0.12 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 28.407 0.000 40.298) 49.304 2.977 ( 44.063 0.000 -2.634) 44.141 3.712 ( 27.580 0.000 28.898) 39.947 4.067 ( 14.078 0.000 10.823) 17.758 4.206 ( 12.045 0.000 -2.803) 12.366 4.352 ( 5.055 0.000 8.499) 9.888 5.286 ( 23.055 0.000 55.957) 60.521 5.318 ( 1.934 0.000 2.333) 3.030 6.094 ( 9.086 0.000 6.594) 11.226 6.540 ( -21.831 -0.000 -22.526) 31.369 6.790 ( -3.083 -0.000 3.915) 4.983 7.365 ( 13.736 0.000 -0.520) 13.746 8.231 ( -2.941 -0.000 -12.141) 12.492 8.282 ( -16.423 -0.000 10.550) 19.520 8.462 ( 3.041 0.000 3.162) 4.388 9.361 ( -5.782 -0.000 -15.901) 16.920 9.597 ( -4.680 -0.000 -10.697) 11.676 9.687 ( 3.356 0.000 -20.974) 21.240 10.322 ( -0.462 -0.000 1.016) 1.116 10.633 ( -13.365 -0.000 18.342) 22.695 11.155 ( -3.760 -0.000 0.560) 3.802 11.195 ( 10.406 0.000 5.519) 11.779 11.527 ( 10.084 0.000 -17.335) 20.055 11.891 ( 16.849 0.000 -4.579) 17.460 12.239 ( 34.134 0.000 3.626) 34.326 12.621 ( -8.305 -0.000 5.295) 9.849 12.906 ( -5.576 -0.000 -10.741) 12.102 13.256 ( -1.253 -0.000 1.177) 1.719 13.271 ( -14.096 -0.000 -11.566) 18.234 13.730 ( -5.070 -0.000 -1.498) 5.286 14.731 ( -29.508 -0.000 -12.747) 32.144 14.860 ( 11.301 0.000 20.866) 23.730 15.327 ( -25.072 -0.000 9.369) 26.766 15.429 ( -12.847 -0.000 6.153) 14.244 16.122 ( 7.660 0.000 4.521) 8.895 16.757 ( -7.362 -0.000 -8.071) 10.924 17.594 ( 8.896 0.000 3.980) 9.746 17.605 ( -10.011 -0.000 -9.309) 13.670 17.916 ( -14.141 -0.000 1.807) 14.256 18.299 ( -10.604 -0.000 -6.189) 12.278 18.559 ( 28.524 0.000 3.842) 28.782 18.633 ( -2.089 -0.000 2.409) 3.188 18.906 ( 8.586 0.000 -1.932) 8.800 19.557 ( -2.205 -0.000 6.311) 6.685 19.570 ( -15.733 -0.000 -1.025) 15.766 21.262 ( -18.076 -0.000 -4.416) 18.608 21.816 ( -3.842 -0.000 -12.051) 12.649 22.408 ( 3.576 0.000 -0.570) 3.621 22.416 ( -2.830 -0.000 4.072) 4.959 23.161 ( 1.123 0.000 -4.049) 4.202 23.319 ( 12.990 0.000 -0.346) 12.995 23.443 ( 5.722 0.000 -11.571) 12.908 23.702 ( 15.052 0.000 3.427) 15.437 23.859 ( 24.650 0.000 -32.440) 40.743 24.457 ( -7.826 -0.000 -3.252) 8.475 25.065 ( -7.388 -0.000 1.789) 7.601 26.789 ( 19.603 0.000 -11.473) 22.714 27.859 ( -7.890 -0.000 -10.141) 12.849 28.085 ( -1.944 -0.000 -7.226) 7.483 28.870 ( 12.748 0.000 -12.287) 17.705 28.999 ( -6.821 -0.000 -11.792) 13.622 30.010 ( 3.919 0.000 11.072) 11.745 30.179 ( -1.939 -0.000 -10.826) 10.998 30.387 ( 23.609 0.000 -10.276) 25.748 30.478 ( 6.924 0.000 5.188) 8.652 30.996 ( 23.717 0.000 -2.704) 23.870 33.361 ( -3.979 -0.000 14.556) 15.090 34.002 ( 1.991 0.000 17.930) 18.040 35.003 ( -2.781 -0.000 -1.735) 3.278 35.938 ( 3.469 0.000 24.470) 24.715 35.983 ( 6.163 0.000 -5.539) 8.286 39.631 ( -65.297 -0.000 39.890) 76.517 ======================= Grid point 149 (49/126) ======================= q-point: ( 0.25 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 28.755 -0.205 18.761) 34.334 3.553 ( 20.343 -5.205 6.227) 21.902 3.942 ( -1.264 -4.661 23.354) 23.848 4.327 ( 13.981 3.456 5.854) 15.546 4.454 ( 23.391 -4.486 2.715) 23.971 4.663 ( 26.173 -10.274 -0.765) 28.128 5.361 ( 7.477 2.385 9.276) 12.150 5.877 ( 28.768 -12.215 39.808) 50.612 6.130 ( -12.796 2.669 -2.847) 13.378 6.235 ( -0.987 -1.956 2.448) 3.285 6.799 ( 5.288 -1.501 6.954) 8.864 7.573 ( 10.732 3.496 -2.498) 11.560 7.771 ( -19.762 15.033 16.827) 29.994 8.218 ( -11.100 -4.818 -0.954) 12.138 8.642 ( 9.498 -4.348 -1.785) 10.598 9.162 ( -15.266 2.917 -12.930) 20.217 9.499 ( -9.695 -4.389 -9.637) 14.357 9.783 ( 8.402 2.427 -22.027) 23.700 10.245 ( 0.362 9.699 4.418) 10.664 10.585 ( -5.255 -14.817 6.081) 16.856 11.117 ( -3.349 -3.215 -5.994) 7.582 11.336 ( 9.473 4.307 6.067) 12.046 11.635 ( 5.977 4.078 -14.384) 16.102 12.118 ( 15.804 8.209 -6.105) 18.826 12.405 ( -0.454 1.158 -4.783) 4.943 12.652 ( 4.727 12.865 -4.202) 14.335 13.012 ( -6.310 -0.862 0.672) 6.404 13.098 ( 9.829 -18.105 -6.027) 21.464 13.344 ( 8.033 -9.215 1.758) 12.351 13.785 ( 1.183 -15.554 -1.462) 15.667 14.254 ( -23.211 9.565 -9.279) 26.765 14.747 ( -27.444 6.801 12.362) 30.858 15.030 ( -4.604 -2.910 15.668) 16.588 15.278 ( -6.403 2.142 5.758) 8.874 16.162 ( 2.524 3.058 6.745) 7.824 16.873 ( 21.246 6.084 -12.594) 25.436 17.310 ( -27.612 -2.851 -6.315) 28.468 17.690 ( -5.479 4.294 1.619) 7.147 17.710 ( 0.963 2.809 1.899) 3.525 18.137 ( -4.581 8.729 -3.040) 10.316 18.502 ( -5.131 9.271 2.964) 11.003 18.817 ( 4.867 5.084 0.796) 7.083 19.135 ( 22.111 1.831 2.719) 22.353 19.400 ( -10.171 -8.031 -0.968) 12.996 19.649 ( -3.457 -24.926 4.410) 25.548 20.997 ( -16.074 -1.753 -2.731) 16.398 21.668 ( -15.638 -1.937 -11.080) 19.263 22.196 ( 6.933 25.748 -0.255) 26.666 22.693 ( 5.980 -17.659 -0.090) 18.645 23.171 ( 1.436 -0.887 0.633) 1.803 23.343 ( -3.027 11.689 -4.780) 12.987 23.559 ( 5.211 -6.305 -4.848) 9.508 23.885 ( 13.785 7.186 3.113) 15.854 24.020 ( 1.504 6.554 -29.224) 29.987 24.307 ( -14.688 -6.428 -2.734) 16.265 24.867 ( -9.014 5.412 2.558) 10.821 27.230 ( 29.712 1.516 -22.392) 37.236 27.798 ( -4.432 -4.261 -10.486) 12.156 28.140 ( -0.743 -12.140 -9.006) 15.134 28.848 ( -0.183 9.932 -11.287) 15.036 29.149 ( 10.068 -10.428 -10.696) 18.014 30.023 ( -5.361 4.172 -2.898) 7.385 30.127 ( -1.645 -6.537 2.380) 7.148 30.547 ( 1.170 -2.737 5.971) 6.672 30.818 ( 26.344 -3.082 -14.396) 30.178 31.451 ( 29.220 0.069 -11.015) 31.227 33.313 ( -5.747 -5.578 13.624) 15.804 33.974 ( -1.051 6.365 13.781) 15.216 34.999 ( -1.340 -5.270 0.012) 5.437 35.887 ( 4.145 14.759 10.353) 18.499 36.244 ( 12.484 -16.413 15.688) 25.910 38.582 ( -56.606 11.369 48.169) 75.191 ======================= Grid point 150 (50/126) ======================= q-point: ( 0.38 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.627 ( -10.824 0.224 10.521) 15.097 3.741 ( 17.538 3.552 3.825) 18.298 4.053 ( 6.138 -9.328 9.893) 14.918 4.475 ( 13.359 10.161 6.901) 18.148 4.896 ( 21.104 -8.798 1.607) 22.921 5.145 ( 16.550 1.239 1.736) 16.687 5.475 ( 11.310 2.529 11.801) 16.540 5.705 ( -13.177 1.919 8.651) 15.879 6.326 ( 8.192 -2.207 4.994) 9.845 6.380 ( 2.268 1.320 4.129) 4.892 7.096 ( 17.993 -8.731 31.004) 36.895 7.306 ( -9.612 -2.761 23.971) 25.973 7.694 ( 4.605 11.865 3.541) 13.210 8.038 ( -9.310 5.800 2.741) 11.306 8.767 ( 1.378 0.102 -2.602) 2.946 8.884 ( -12.559 2.863 -8.809) 15.605 9.464 ( -2.552 -9.665 -13.140) 16.510 9.867 ( 6.639 4.310 -19.681) 21.213 10.197 ( -2.660 -3.768 6.999) 8.382 10.682 ( -1.592 -11.857 -0.636) 11.980 11.070 ( -0.263 9.471 -10.888) 14.433 11.364 ( 4.495 10.954 4.931) 12.826 11.710 ( 6.066 -4.919 -6.222) 9.985 12.208 ( 6.294 8.962 -16.908) 20.145 12.399 ( -15.338 4.082 -5.170) 16.693 12.525 ( 10.598 6.584 -5.028) 13.452 12.922 ( -0.505 -12.738 -15.873) 20.359 13.373 ( -5.084 -9.751 6.572) 12.811 13.763 ( -15.177 0.804 5.763) 16.254 13.837 ( 26.411 -13.219 4.705) 29.907 14.078 ( 4.325 0.755 -2.086) 4.860 14.371 ( -7.568 -10.829 -0.042) 13.211 14.812 ( -9.357 15.380 7.507) 19.505 15.241 ( -1.450 0.910 7.490) 7.683 16.173 ( -2.028 -4.210 4.841) 6.728 16.862 ( -33.532 -7.926 -4.849) 34.796 17.180 ( 25.639 12.551 -9.073) 29.954 17.485 ( -12.993 -1.452 2.465) 13.304 17.716 ( 7.758 20.619 5.052) 22.602 17.960 ( 0.371 8.460 1.754) 8.648 18.399 ( -4.174 -4.148 -1.462) 6.063 18.748 ( -2.135 6.834 0.560) 7.181 19.279 ( -10.948 -4.937 1.195) 12.069 19.488 ( 19.369 3.875 2.612) 19.925 19.965 ( 0.670 -36.260 2.244) 36.335 20.805 ( -10.492 -1.335 -2.029) 10.769 21.409 ( -20.818 -6.058 -8.264) 23.203 22.109 ( 15.778 24.520 -2.984) 29.310 22.908 ( 3.160 -6.071 -5.997) 9.100 23.104 ( -10.921 8.387 -3.171) 14.130 23.268 ( 3.820 -9.628 3.052) 10.799 23.594 ( -11.554 -7.846 -6.614) 15.453 23.765 ( -16.056 9.712 -19.475) 27.044 23.956 ( 1.518 6.420 4.002) 7.716 24.324 ( 7.186 -8.926 -1.694) 11.584 24.741 ( 1.280 7.419 -0.075) 7.529 27.581 ( 16.425 3.101 -15.849) 23.035 27.789 ( 5.213 5.793 -10.504) 13.079 28.261 ( -1.493 -11.768 -13.018) 17.612 28.788 ( 7.068 9.831 -10.840) 16.252 29.423 ( 10.149 -10.578 -9.511) 17.474 29.823 ( -10.981 5.762 -9.328) 15.518 30.206 ( -2.148 -10.105 5.543) 11.724 30.554 ( -1.681 0.628 8.215) 8.409 31.243 ( 19.961 -4.847 -19.692) 28.456 31.767 ( 16.461 12.617 -14.578) 25.351 33.308 ( -6.277 -11.427 13.765) 18.959 33.874 ( -0.201 7.903 10.243) 12.939 35.061 ( -1.233 -9.581 -0.635) 9.680 35.765 ( 3.067 18.492 6.621) 19.879 36.732 ( 21.419 -25.042 28.225) 43.388 37.668 ( -41.370 14.114 44.429) 62.327 ======================= Grid point 151 (51/126) ======================= q-point: (-0.50 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( -19.651 -0.547 3.245) 19.925 3.897 ( 8.721 5.633 8.900) 13.674 4.178 ( 0.408 -2.465 6.422) 6.891 4.468 ( 1.369 18.063 11.673) 21.550 4.921 ( -15.872 12.939 3.833) 20.833 5.248 ( 12.305 2.021 -4.798) 13.361 5.655 ( 14.287 5.186 13.108) 20.071 5.833 ( 19.830 5.791 11.658) 23.721 6.103 ( -18.466 3.198 7.789) 20.295 6.519 ( 11.139 0.399 -0.994) 11.190 7.046 ( -8.745 -2.062 24.619) 26.207 7.495 ( -4.687 14.701 7.601) 17.201 7.647 ( -0.749 2.307 15.467) 15.656 7.977 ( 19.130 -5.997 21.631) 29.493 8.594 ( -13.148 0.948 -6.275) 14.600 8.907 ( 5.503 -6.478 -5.662) 10.213 9.569 ( 0.967 -8.004 -17.452) 19.224 9.892 ( 4.071 7.783 -16.597) 18.778 10.225 ( -5.164 -12.494 4.087) 14.123 10.780 ( -0.322 -8.914 0.983) 8.973 10.927 ( 1.451 14.551 -6.128) 15.855 11.303 ( 3.918 11.437 -0.312) 12.093 11.831 ( -4.692 -3.378 -9.362) 11.003 12.037 ( -6.330 12.632 -14.182) 20.019 12.196 ( -6.315 -4.235 -5.627) 9.460 12.571 ( -5.143 7.664 -4.562) 10.296 13.157 ( 3.518 -2.545 -2.039) 4.797 13.291 ( 9.059 -15.219 -12.411) 21.627 13.775 ( -1.942 -9.912 5.903) 11.698 13.872 ( -7.018 3.647 0.030) 7.910 14.310 ( 2.647 8.270 8.479) 12.137 14.406 ( 8.434 -4.132 4.207) 10.291 14.979 ( 32.239 -15.473 -0.877) 35.771 15.137 ( -1.629 12.564 3.406) 13.119 16.153 ( -15.852 -14.194 -2.911) 21.476 16.499 ( -27.269 -19.599 1.019) 33.597 17.053 ( -5.163 38.167 5.065) 38.846 17.466 ( 2.422 -10.386 1.317) 10.746 17.765 ( 17.789 3.852 1.323) 18.249 17.998 ( 10.003 6.206 0.835) 11.801 18.406 ( -4.478 -7.985 -0.648) 9.178 18.650 ( -3.463 2.267 -0.277) 4.148 19.069 ( -17.251 1.431 2.160) 17.444 19.709 ( 15.051 6.466 2.166) 16.524 20.414 ( 6.580 -36.765 0.776) 37.357 20.676 ( -4.664 4.998 -1.234) 6.947 21.195 ( -17.001 -11.454 -7.706) 21.900 22.149 ( 17.510 18.143 -4.145) 25.553 22.831 ( -13.237 -0.812 -6.531) 14.783 22.963 ( -5.082 -0.905 -7.242) 8.893 23.294 ( -22.819 -6.373 -5.102) 24.235 23.488 ( -2.133 -6.450 -0.265) 6.799 23.507 ( -9.495 -5.458 -10.389) 15.096 23.865 ( -3.936 5.762 5.004) 8.587 24.569 ( 11.744 -3.146 -2.898) 12.498 24.743 ( 9.792 7.326 -1.233) 12.291 27.598 ( -1.142 11.643 -8.324) 14.358 27.917 ( 17.403 8.171 -10.508) 21.910 28.344 ( -0.718 -8.556 -15.139) 17.404 28.869 ( 15.897 9.884 -10.135) 21.286 29.569 ( -9.855 5.452 -10.965) 15.718 29.702 ( 8.256 -9.264 -8.869) 15.253 30.232 ( -8.801 -9.148 4.031) 13.319 30.495 ( -3.252 1.904 7.676) 8.551 31.433 ( 1.538 8.614 -17.481) 19.549 31.715 ( 4.824 22.207 -18.560) 29.340 33.344 ( -6.669 -13.881 14.954) 21.466 33.837 ( 5.616 7.289 8.504) 12.529 35.166 ( -1.663 -14.621 -2.355) 14.903 35.596 ( 1.440 19.328 4.302) 19.853 36.951 ( -26.784 11.312 36.236) 46.459 37.487 ( 30.323 -31.302 37.864) 57.732 ======================= Grid point 152 (52/126) ======================= q-point: (-0.38 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( -23.412 2.822 1.434) 23.626 3.874 ( 0.106 13.425 25.018) 28.392 4.012 ( -25.614 15.369 18.293) 35.027 4.175 ( -3.305 5.640 7.030) 9.600 4.658 ( 1.518 16.879 2.094) 17.076 5.168 ( -2.105 28.431 -6.769) 29.301 5.558 ( -8.203 18.601 23.643) 31.182 5.910 ( 8.197 -1.301 8.944) 12.201 6.220 ( 13.322 6.478 2.913) 15.097 6.575 ( 8.396 10.478 6.449) 14.895 6.929 ( -0.997 6.965 11.437) 13.428 7.334 ( -4.976 -4.284 -0.378) 6.577 7.457 ( -8.383 6.905 4.437) 11.732 8.416 ( -5.871 2.032 -2.266) 6.613 8.473 ( 16.247 -19.749 30.868) 40.085 9.082 ( 2.829 -11.051 -11.943) 16.515 9.633 ( 0.791 -2.537 -18.278) 18.470 9.826 ( 1.516 10.985 -12.906) 17.016 10.267 ( -6.045 -8.915 -6.557) 12.610 10.851 ( 7.918 3.839 4.034) 9.680 10.885 ( -4.382 -8.599 5.124) 10.927 11.258 ( 5.297 9.438 -6.497) 12.623 11.639 ( -13.439 1.941 -10.923) 17.426 11.794 ( -7.423 12.911 -7.140) 16.516 12.189 ( -22.457 7.306 8.882) 25.231 12.301 ( 2.074 -9.819 -9.743) 13.987 13.340 ( 13.866 4.284 -4.239) 15.119 13.623 ( 2.210 6.432 -7.831) 10.372 13.698 ( 8.082 3.039 -12.646) 15.313 13.900 ( 4.604 -10.772 -0.735) 11.737 14.197 ( 5.878 0.568 14.831) 15.963 14.741 ( 2.965 -15.549 2.205) 15.982 15.027 ( 4.997 3.887 2.693) 6.880 15.664 ( 36.947 -2.534 6.256) 37.558 15.922 ( -24.067 -3.950 -11.834) 27.108 16.462 ( -14.106 -22.695 5.386) 27.259 16.611 ( -8.412 4.512 6.642) 11.630 17.653 ( 3.690 -13.929 3.648) 14.864 17.961 ( 7.944 5.436 -0.986) 9.676 18.127 ( 14.401 4.689 2.215) 15.306 18.395 ( -7.851 -5.395 1.276) 9.611 18.577 ( -11.724 -7.746 1.387) 14.120 18.779 ( -7.504 8.094 -1.005) 11.083 19.835 ( 12.134 8.940 1.537) 15.150 20.509 ( -2.892 16.179 -0.428) 16.441 20.947 ( 11.778 -34.221 -0.615) 36.196 21.148 ( -7.342 -17.214 -7.257) 20.072 22.248 ( 11.807 7.922 -5.069) 15.094 22.656 ( -16.848 -5.921 -6.721) 19.081 22.802 ( -13.088 -3.925 -8.615) 16.153 23.057 ( -20.236 -11.407 -12.752) 26.499 23.354 ( -3.851 0.699 1.645) 4.246 23.579 ( -4.763 -4.340 -0.069) 6.444 23.736 ( -4.698 3.765 2.422) 6.489 24.692 ( 7.261 5.535 -2.442) 9.451 24.902 ( 12.640 0.582 -2.091) 12.825 27.386 ( -1.842 22.014 -6.528) 23.036 28.080 ( 12.079 5.637 -7.983) 15.537 28.443 ( 4.264 -4.761 -15.171) 16.462 29.048 ( 18.776 9.193 -9.070) 22.789 29.357 ( -4.756 9.848 -15.160) 18.693 29.923 ( 5.854 -8.559 -6.992) 12.507 30.118 ( -13.643 -4.219 3.187) 14.632 30.417 ( -6.519 -0.144 3.716) 7.505 31.127 ( -9.582 27.135 -8.761) 30.081 31.459 ( -9.040 24.332 -22.545) 34.381 33.412 ( -2.626 -12.984 12.545) 18.244 33.857 ( 5.918 7.649 12.789) 16.034 35.312 ( -1.361 -14.584 -2.833) 14.919 35.418 ( 0.165 13.452 0.970) 13.488 36.496 ( -14.370 12.186 28.201) 33.916 38.422 ( 36.114 -43.281 42.189) 70.409 ======================= Grid point 153 (53/126) ======================= q-point: (-0.25 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -23.568 13.973 8.860) 28.796 3.438 ( -22.803 11.304 24.560) 35.368 3.593 ( -4.158 34.114 36.139) 49.871 4.080 ( -2.932 4.945 0.926) 5.823 4.515 ( 2.740 18.568 13.972) 23.399 4.709 ( -5.731 37.931 -7.315) 39.052 5.240 ( -6.686 18.403 41.622) 45.998 5.913 ( -2.909 6.328 11.554) 13.491 6.135 ( 8.620 29.236 1.194) 30.503 6.748 ( 9.422 -2.671 -0.311) 9.798 6.910 ( 5.755 3.436 -15.106) 16.526 7.259 ( -7.866 4.195 0.425) 8.925 7.424 ( -3.234 -22.234 -1.512) 22.519 8.320 ( -3.311 1.075 -0.761) 3.563 8.905 ( 12.499 -15.695 28.413) 34.783 9.194 ( -2.081 -9.087 -16.596) 19.034 9.675 ( 1.908 -1.461 -16.001) 16.180 9.743 ( -0.770 6.074 -9.903) 11.643 10.200 ( -2.891 5.630 -12.773) 14.255 10.892 ( -5.854 -8.583 7.811) 12.998 10.964 ( 5.206 -0.328 11.303) 12.449 11.321 ( 7.753 -4.546 -11.817) 14.846 11.432 ( -6.714 6.536 -7.400) 11.940 11.559 ( -8.269 6.904 0.067) 10.773 11.826 ( -15.463 3.019 12.986) 20.417 12.381 ( -0.575 -0.887 -9.254) 9.314 13.326 ( 1.665 8.435 -19.118) 20.963 13.534 ( -1.305 15.608 4.451) 16.282 13.799 ( 17.902 3.723 -2.186) 18.415 14.152 ( 2.027 6.792 0.237) 7.092 14.473 ( 14.329 -31.275 0.009) 34.401 14.848 ( 6.293 2.671 1.668) 7.037 15.163 ( 0.385 -6.959 0.655) 7.001 15.534 ( -22.321 -3.710 -3.001) 22.826 15.984 ( 9.911 8.580 11.923) 17.720 16.660 ( 12.853 -27.557 -6.682) 31.133 16.832 ( 7.653 -29.811 8.649) 31.970 17.791 ( -1.111 -2.722 -2.790) 4.053 17.907 ( -15.852 -2.130 3.632) 16.402 18.185 ( -4.426 -6.267 6.425) 10.007 18.324 ( 7.674 7.847 2.409) 11.237 18.512 ( -8.758 -10.835 2.749) 14.200 18.715 ( 3.236 4.961 -7.394) 9.474 19.916 ( 11.008 9.808 1.479) 14.818 20.248 ( -4.406 21.013 0.095) 21.470 21.235 ( -4.872 -23.344 -5.250) 24.418 21.571 ( 24.299 -19.599 -3.046) 31.366 22.287 ( -3.987 2.864 -6.498) 8.144 22.419 ( -20.587 -15.605 -5.516) 26.415 22.768 ( -3.171 -8.851 -7.970) 12.325 22.838 ( -15.663 -2.353 -18.804) 24.586 23.354 ( 5.063 4.296 5.578) 8.672 23.467 ( -8.123 0.753 5.039) 9.589 23.600 ( -9.510 3.699 -0.746) 10.231 24.711 ( 3.576 7.052 -0.941) 7.962 25.058 ( 7.072 0.351 -2.142) 7.398 27.106 ( -0.662 24.834 -4.220) 25.199 28.170 ( 6.008 4.229 -7.364) 10.402 28.556 ( 5.822 0.041 -14.047) 15.206 29.149 ( -3.310 4.423 -13.760) 14.827 29.305 ( 26.437 26.030 -19.477) 41.902 29.929 ( -12.756 -1.183 1.902) 12.951 30.027 ( -2.714 -3.072 -6.230) 7.458 30.244 ( -13.528 6.319 -1.468) 15.003 30.675 ( -10.827 21.530 -4.555) 24.526 31.012 ( -7.722 23.324 -8.848) 26.114 33.504 ( 0.240 -5.450 10.817) 12.114 33.854 ( 2.056 3.587 18.135) 18.600 35.244 ( 0.115 11.853 0.743) 11.877 35.506 ( -0.615 -16.822 -5.694) 17.770 36.224 ( -5.256 11.052 22.173) 25.326 39.491 ( 30.737 -54.041 36.356) 72.021 ======================= Grid point 154 (54/126) ======================= q-point: (-0.12 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -0.000 20.988 19.213) 28.454 3.076 ( -0.000 48.820 40.458) 63.405 3.139 ( -0.000 8.923 21.174) 22.977 3.990 ( -0.000 6.914 -0.137) 6.915 4.263 ( -0.000 31.753 -5.297) 32.192 4.372 ( -0.000 11.539 45.118) 46.570 5.042 ( -0.000 7.234 38.386) 39.062 5.849 ( -0.000 0.926 10.419) 10.460 5.854 ( -0.000 33.877 -6.140) 34.429 6.840 ( 0.000 -3.067 6.974) 7.618 6.939 ( -0.000 3.227 -33.389) 33.545 7.149 ( -0.000 3.638 2.358) 4.335 7.705 ( 0.000 -32.192 -4.425) 32.494 8.286 ( -0.000 0.784 -0.865) 1.168 9.096 ( -0.000 5.488 15.121) 16.086 9.248 ( 0.000 -6.146 -17.564) 18.608 9.659 ( -0.000 5.534 -9.920) 11.359 9.711 ( 0.000 -1.709 -14.901) 14.999 10.172 ( 0.000 -7.321 -0.833) 7.368 10.912 ( 0.000 -5.338 10.205) 11.516 10.995 ( 0.000 -0.040 10.743) 10.743 11.273 ( -0.000 15.361 0.126) 15.362 11.438 ( 0.000 -1.376 -3.073) 3.367 11.565 ( 0.000 -12.295 -10.310) 16.045 11.604 ( -0.000 6.274 8.254) 10.368 12.371 ( 0.000 -3.825 -3.594) 5.248 13.301 ( -0.000 2.887 -22.213) 22.400 13.375 ( -0.000 11.209 1.594) 11.322 13.951 ( -0.000 0.496 -1.739) 1.808 13.973 ( -0.000 26.367 0.321) 26.369 14.684 ( -0.000 13.733 20.272) 24.486 15.115 ( 0.000 -35.234 -23.196) 42.184 15.218 ( 0.000 -14.985 -1.863) 15.101 15.470 ( 0.000 -12.426 1.689) 12.540 16.042 ( 0.000 -3.352 10.670) 11.184 17.106 ( 0.000 -31.972 -1.706) 32.017 17.362 ( 0.000 -27.607 1.423) 27.643 17.599 ( 0.000 -1.372 6.592) 6.734 17.763 ( -0.000 6.950 -7.477) 10.208 18.264 ( 0.000 -1.998 7.210) 7.482 18.407 ( 0.000 -4.511 6.819) 8.176 18.456 ( 0.000 -5.422 -2.586) 6.007 18.703 ( -0.000 3.252 -9.057) 9.623 19.937 ( -0.000 23.439 2.226) 23.544 19.960 ( -0.000 6.355 1.044) 6.440 21.428 ( 0.000 -18.803 -4.550) 19.345 21.948 ( -0.000 6.322 -7.269) 9.633 22.257 ( 0.000 -14.432 -9.498) 17.277 22.313 ( 0.000 -3.927 -3.128) 5.020 22.701 ( 0.000 -4.645 -18.834) 19.399 22.831 ( 0.000 -2.307 -3.810) 4.454 23.321 ( -0.000 11.391 4.476) 12.239 23.360 ( -0.000 3.011 9.416) 9.886 23.495 ( 0.000 -3.927 1.324) 4.144 24.655 ( -0.000 7.901 2.683) 8.344 25.111 ( 0.000 -0.388 -1.545) 1.593 26.873 ( -0.000 17.224 -1.281) 17.271 28.177 ( -0.000 3.789 -7.352) 8.270 28.601 ( -0.000 0.849 -13.627) 13.653 28.884 ( -0.000 45.124 -26.534) 52.347 29.323 ( -0.000 18.421 -21.368) 28.212 29.800 ( 0.000 -4.799 3.687) 6.052 29.917 ( -0.000 0.821 -0.517) 0.970 30.051 ( -0.000 5.528 5.411) 7.735 30.472 ( -0.000 6.782 -1.525) 6.951 30.797 ( -0.000 8.727 0.652) 8.751 33.508 ( -0.000 4.657 12.612) 13.444 33.871 ( 0.000 -4.217 20.365) 20.797 35.144 ( -0.000 7.577 -1.772) 7.782 35.666 ( 0.000 -13.758 -4.084) 14.352 36.075 ( -0.000 9.778 18.196) 20.657 40.367 ( 0.000 -53.591 20.524) 57.387 ======================= Grid point 157 (55/126) ======================= q-point: ( 0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( -11.673 -0.000 10.698) 15.834 3.806 ( 21.805 0.000 17.009) 27.655 3.911 ( 8.825 0.000 -0.670) 8.851 4.656 ( 18.974 0.000 16.307) 25.019 4.731 ( 20.336 0.000 -7.898) 21.816 5.145 ( 35.626 0.000 5.529) 36.052 5.559 ( 15.771 0.000 12.501) 20.125 5.713 ( -28.462 -0.000 2.902) 28.610 6.239 ( 14.543 0.000 21.295) 25.787 6.382 ( 15.016 0.000 3.804) 15.490 7.047 ( 27.444 0.000 14.981) 31.267 7.294 ( -38.723 -0.000 31.300) 49.791 7.818 ( 13.535 0.000 -4.271) 14.193 8.127 ( -3.663 -0.000 -4.219) 5.587 8.734 ( 1.375 0.000 -3.753) 3.997 8.907 ( -17.699 -0.000 -10.325) 20.491 9.344 ( -3.406 -0.000 -12.483) 12.939 9.936 ( 7.686 0.000 -20.697) 22.079 10.292 ( -6.884 -0.000 20.049) 21.198 10.443 ( 2.733 0.000 -3.116) 4.144 11.079 ( 1.953 0.000 -10.159) 10.345 11.492 ( 6.352 0.000 7.762) 10.030 11.729 ( 2.473 0.000 -11.028) 11.302 12.347 ( 1.588 0.000 -16.898) 16.972 12.423 ( 5.886 0.000 -0.684) 5.926 12.670 ( 1.283 0.000 -8.067) 8.168 12.820 ( -13.094 -0.000 -14.574) 19.592 13.160 ( 3.581 0.000 2.747) 4.513 13.566 ( 10.555 0.000 9.318) 14.080 13.899 ( -27.427 -0.000 -2.009) 27.501 13.947 ( 38.500 0.000 -0.478) 38.503 14.334 ( -21.661 -0.000 0.214) 21.663 15.048 ( -0.202 -0.000 17.222) 17.223 15.152 ( -8.544 -0.000 4.911) 9.855 16.219 ( 2.586 0.000 2.829) 3.833 16.763 ( -37.639 -0.000 -4.466) 37.903 17.315 ( 28.967 0.000 -9.158) 30.380 17.361 ( -21.274 -0.000 4.310) 21.706 17.944 ( 11.543 0.000 0.781) 11.570 18.156 ( 0.045 0.000 -4.181) 4.181 18.529 ( -4.601 -0.000 5.746) 7.361 18.871 ( -0.108 -0.000 -0.959) 0.965 19.079 ( -15.817 -0.000 -2.084) 15.954 19.467 ( -1.939 -0.000 6.728) 7.002 19.533 ( 21.016 0.000 2.261) 21.137 20.760 ( -12.470 -0.000 -3.691) 13.005 21.345 ( -21.161 -0.000 -6.749) 22.211 22.578 ( 11.025 0.000 -4.184) 11.793 22.648 ( 10.627 0.000 2.068) 10.826 23.148 ( -3.778 -0.000 -0.462) 3.806 23.263 ( -15.130 -0.000 -2.993) 15.423 23.474 ( -9.178 -0.000 -9.016) 12.866 23.874 ( -25.107 -0.000 -20.348) 32.317 24.053 ( -5.852 -0.000 -2.226) 6.262 24.202 ( 18.753 0.000 3.211) 19.026 24.825 ( 0.825 0.000 0.833) 1.173 27.735 ( 27.074 0.000 -30.189) 40.551 27.745 ( 1.212 0.000 -9.268) 9.347 28.134 ( 6.548 0.000 -4.029) 7.688 28.909 ( 2.155 0.000 -10.014) 10.243 29.285 ( 13.231 0.000 -8.902) 15.947 29.893 ( -12.692 -0.000 -9.802) 16.036 30.078 ( -0.791 -0.000 7.274) 7.316 30.536 ( -0.807 -0.000 6.969) 7.015 31.211 ( 24.191 0.000 -18.513) 30.462 31.917 ( 27.123 0.000 -13.761) 30.414 33.177 ( -7.466 -0.000 13.198) 15.164 33.942 ( -6.474 -0.000 7.298) 9.755 34.973 ( 0.964 0.000 1.378) 1.682 36.103 ( 6.508 0.000 30.504) 31.191 36.310 ( 14.419 0.000 5.113) 15.299 37.824 ( -45.300 -0.000 46.384) 64.835 ======================= Grid point 158 (56/126) ======================= q-point: ( 0.38 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( -19.699 0.031 6.143) 20.635 4.002 ( 9.426 4.810 5.202) 11.792 4.105 ( 7.113 -4.462 5.583) 10.083 4.823 ( 11.440 13.703 8.211) 19.648 5.121 ( 18.122 -5.889 -7.493) 20.475 5.191 ( -23.047 6.595 11.308) 26.505 5.708 ( 23.472 -8.961 6.092) 25.852 5.831 ( 21.750 7.712 18.552) 29.610 6.409 ( -2.639 10.612 19.929) 22.732 6.498 ( 8.081 5.556 -2.071) 10.023 6.859 ( -9.064 -14.824 26.390) 31.596 7.537 ( 24.921 -4.285 17.635) 30.828 7.933 ( 4.213 19.254 2.227) 19.835 8.006 ( -2.936 2.532 -3.755) 5.397 8.610 ( -13.891 0.637 -6.803) 15.481 8.736 ( -8.301 -10.996 -3.278) 14.162 9.420 ( 6.857 -4.510 -15.127) 17.210 9.975 ( 0.842 4.785 -10.235) 11.329 10.211 ( 2.156 4.981 11.300) 12.536 10.503 ( -4.151 -10.470 0.371) 11.269 11.163 ( 5.730 -0.352 -13.309) 14.494 11.483 ( -3.138 7.743 6.578) 10.634 11.775 ( 4.424 -3.269 -4.177) 6.907 12.207 ( -15.705 9.466 1.581) 18.405 12.382 ( 3.283 11.808 -19.990) 23.448 12.681 ( -3.347 -4.304 -18.135) 18.937 12.898 ( 16.181 -0.687 -11.960) 20.133 13.239 ( 0.827 -4.361 3.905) 5.912 13.511 ( -12.277 -4.208 7.573) 15.026 13.800 ( 5.351 -21.591 4.019) 22.604 14.063 ( -10.386 4.714 -7.774) 13.803 14.671 ( 35.926 -9.726 1.188) 37.238 14.878 ( -2.427 17.997 6.710) 19.360 15.137 ( -1.741 -8.222 8.208) 11.747 16.175 ( -18.808 2.457 2.059) 19.079 16.201 ( -21.100 0.162 -3.197) 21.342 17.128 ( -14.707 -14.055 8.539) 22.063 17.734 ( 26.363 10.468 -6.414) 29.081 18.054 ( -2.009 19.373 2.009) 19.581 18.100 ( 10.465 4.195 0.930) 11.313 18.341 ( -4.022 8.091 1.027) 9.093 18.676 ( -13.384 4.217 1.338) 14.097 19.059 ( -8.010 -10.210 -3.312) 13.393 19.575 ( -0.720 -28.751 5.320) 29.248 19.830 ( 16.582 1.191 2.439) 16.803 20.613 ( -9.360 -5.012 -5.954) 12.173 21.061 ( -15.761 -2.683 -2.999) 16.267 22.566 ( 8.127 19.387 -0.684) 21.032 22.849 ( -5.275 -1.944 -9.986) 11.460 22.976 ( -9.796 1.429 -2.574) 10.229 23.050 ( -19.438 -11.281 -2.902) 22.661 23.356 ( -5.043 -4.720 -5.085) 8.577 23.478 ( -19.071 -0.084 -8.230) 20.771 23.978 ( -2.166 3.706 -3.238) 5.377 24.503 ( 16.731 -2.114 2.017) 16.984 24.870 ( 6.639 3.423 -1.147) 7.557 27.765 ( 4.970 4.521 -9.682) 11.785 28.089 ( 18.566 1.209 -22.017) 28.825 28.250 ( 7.450 3.151 -5.048) 9.534 28.986 ( 9.486 1.014 -9.040) 13.142 29.509 ( 11.177 -4.112 -6.808) 13.718 29.676 ( -12.429 1.732 -11.348) 16.919 30.065 ( -4.776 -4.844 4.277) 8.035 30.502 ( -4.449 -0.575 8.562) 9.666 31.539 ( 17.443 2.447 -23.141) 29.082 32.193 ( 15.969 16.703 -15.068) 27.587 33.097 ( -7.293 -7.852 13.233) 17.028 33.847 ( -5.629 -4.130 2.997) 7.598 34.999 ( 0.666 -1.736 -0.019) 1.860 36.038 ( 3.855 21.094 21.876) 30.633 36.738 ( 14.490 -25.977 23.491) 37.902 37.219 ( -25.367 3.102 39.124) 46.731 ======================= Grid point 159 (57/126) ======================= q-point: (-0.50 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( -19.439 0.413 3.724) 19.797 4.035 ( -0.071 5.155 9.746) 11.026 4.168 ( -1.841 1.295 5.552) 5.991 4.500 ( -21.229 17.903 19.880) 34.153 4.981 ( 6.333 10.775 3.899) 13.093 5.410 ( 6.652 -1.417 -8.998) 11.280 5.901 ( -11.361 10.278 25.129) 29.431 6.096 ( 21.530 9.568 12.445) 26.645 6.188 ( 19.508 2.997 11.609) 22.898 6.744 ( 16.763 3.020 -6.438) 18.209 7.049 ( 11.161 -2.586 9.025) 14.584 7.535 ( -12.500 24.496 1.061) 27.521 7.712 ( -3.732 12.416 11.034) 17.024 8.103 ( 6.963 -11.840 19.338) 23.720 8.452 ( -4.967 0.487 -4.292) 6.583 8.810 ( -2.146 -15.682 -5.922) 16.899 9.565 ( 4.747 -3.493 -16.154) 17.196 9.940 ( -0.397 0.481 -5.621) 5.655 10.176 ( 0.050 7.186 4.725) 8.600 10.561 ( -4.891 -14.355 3.206) 15.501 11.151 ( -0.534 12.984 -2.113) 13.166 11.355 ( -3.597 -1.792 -4.990) 6.407 11.862 ( 1.529 14.867 4.852) 15.713 11.968 ( -2.987 -8.720 -8.001) 12.206 12.176 ( -5.910 14.862 -17.103) 23.417 12.487 ( -13.945 18.189 -3.778) 23.229 13.214 ( 13.655 -20.953 -23.722) 34.471 13.434 ( 19.530 1.320 -1.246) 19.614 13.600 ( 0.888 -17.925 10.710) 20.900 13.877 ( -2.713 7.798 -11.183) 13.901 14.220 ( 9.373 -28.903 3.709) 30.610 14.579 ( -4.079 20.941 5.428) 22.015 14.962 ( -14.182 -15.591 0.420) 21.080 15.509 ( 25.802 -5.473 2.893) 26.534 15.850 ( -13.402 -19.526 -1.225) 23.714 15.969 ( -6.682 13.398 3.378) 15.348 17.182 ( -4.749 -14.246 7.638) 16.847 17.446 ( -7.555 38.134 7.548) 39.601 18.115 ( 6.014 6.283 -1.546) 8.834 18.191 ( 7.274 1.005 0.165) 7.345 18.317 ( 3.918 -1.019 1.854) 4.453 18.449 ( -12.930 -3.535 1.244) 13.462 18.945 ( -6.265 5.480 -3.130) 8.892 19.959 ( 10.113 -12.434 1.286) 16.079 20.086 ( 6.791 -28.257 2.854) 29.201 20.578 ( -5.108 -9.695 -6.412) 12.696 20.900 ( -9.218 -2.503 -2.528) 9.881 22.377 ( -11.599 4.926 -0.266) 12.605 22.662 ( -11.790 6.673 -8.704) 16.103 22.762 ( -26.334 -8.340 -3.593) 27.856 22.898 ( 1.288 1.307 -16.052) 16.157 23.310 ( -5.372 -3.166 -2.056) 6.565 23.458 ( 3.330 -6.022 2.108) 7.197 23.886 ( -2.246 7.440 0.250) 7.776 24.747 ( 11.526 -0.513 -0.910) 11.573 24.956 ( 9.135 3.781 -1.568) 10.010 27.769 ( 4.666 10.929 -8.414) 14.561 28.267 ( 9.928 12.660 -3.062) 16.378 28.355 ( 11.556 -2.675 -18.806) 22.235 29.142 ( 7.056 0.324 -5.848) 9.170 29.499 ( -2.094 2.651 -14.054) 14.454 29.725 ( 6.441 -7.741 -5.731) 11.587 30.017 ( -7.580 -4.293 1.673) 8.870 30.409 ( -7.690 -0.497 7.933) 11.059 31.630 ( 4.313 16.231 -22.853) 28.360 32.060 ( 2.606 31.378 -16.207) 35.413 33.115 ( -4.430 -12.730 13.065) 18.772 33.890 ( 1.115 -8.517 0.815) 8.628 35.036 ( -0.437 -5.798 -1.363) 5.972 35.827 ( -0.574 21.793 16.545) 27.368 36.709 ( -14.693 7.276 30.244) 34.403 37.518 ( 21.229 -39.337 34.851) 56.680 ======================= Grid point 160 (58/126) ======================= q-point: (-0.38 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -14.623 4.750 4.412) 15.996 3.720 ( -21.822 13.430 24.429) 35.402 4.055 ( -0.017 11.816 23.348) 26.168 4.215 ( -1.507 8.001 6.448) 10.385 4.955 ( 8.850 18.807 3.433) 21.067 5.297 ( -10.051 10.823 -1.005) 14.804 5.669 ( 0.308 18.507 22.996) 29.520 6.272 ( 18.328 22.652 9.264) 30.575 6.469 ( 9.665 -1.779 -1.414) 9.929 6.902 ( 15.935 14.485 -3.941) 21.892 7.030 ( -4.409 14.805 5.825) 16.509 7.232 ( -2.212 1.964 -7.331) 7.905 7.423 ( -10.563 15.300 6.888) 19.827 8.307 ( 0.396 -7.389 10.370) 12.739 8.475 ( 2.446 -14.692 23.152) 27.529 8.948 ( -1.526 -14.174 -13.075) 19.344 9.637 ( 1.370 -1.900 -14.818) 15.002 9.911 ( -1.167 6.184 -12.126) 13.662 10.117 ( -2.125 -4.538 2.570) 5.631 10.645 ( -3.866 -13.786 6.386) 15.677 11.019 ( -1.913 3.985 10.119) 11.043 11.368 ( 2.642 0.370 -12.433) 12.716 11.675 ( 3.117 22.696 -5.875) 23.650 11.851 ( -5.611 16.933 -11.856) 21.419 12.004 ( -13.092 10.387 10.575) 19.777 12.223 ( 0.418 -7.941 -12.323) 14.666 13.544 ( 5.367 4.636 -12.656) 14.508 13.640 ( 3.074 -7.959 -5.622) 10.218 13.851 ( 8.635 -15.362 -3.958) 18.062 13.897 ( 11.656 -0.958 -6.885) 13.572 14.338 ( 0.588 13.948 6.944) 15.592 14.577 ( -0.933 -18.629 0.373) 18.657 14.962 ( -3.701 -18.034 0.639) 18.421 15.651 ( -10.699 -9.851 2.906) 14.831 15.762 ( -9.637 -21.408 -0.405) 23.480 16.323 ( 31.811 0.424 3.099) 31.965 16.758 ( -6.601 34.198 5.904) 35.326 17.482 ( 1.497 -20.603 10.720) 23.274 17.902 ( -23.213 -3.225 4.913) 23.945 18.222 ( 1.655 8.376 -0.457) 8.550 18.303 ( -6.815 -5.535 4.365) 9.805 18.509 ( 12.747 5.783 0.229) 14.000 18.827 ( -1.115 5.113 -6.785) 8.569 20.106 ( 10.182 7.458 1.330) 12.691 20.555 ( -1.989 -9.277 -1.806) 9.659 20.660 ( 2.871 -25.667 0.728) 25.837 20.876 ( -1.970 -25.744 -6.606) 26.651 22.219 ( -9.577 -5.869 -2.024) 11.414 22.365 ( -14.163 5.364 -7.966) 17.112 22.519 ( -16.262 -11.962 -3.034) 20.414 22.938 ( 7.183 7.853 -21.649) 24.123 23.309 ( -0.576 -4.784 0.677) 4.866 23.503 ( -2.185 0.089 5.475) 5.896 23.756 ( -2.125 9.783 3.263) 10.530 24.855 ( 5.438 5.055 -4.741) 8.809 25.066 ( 6.810 0.577 -0.291) 6.841 27.651 ( 2.644 22.243 -6.520) 23.330 28.270 ( 4.622 7.242 -4.913) 9.897 28.552 ( 10.072 0.161 -14.093) 17.323 29.133 ( -5.086 -2.447 -9.459) 11.015 29.607 ( 15.317 3.932 -9.239) 18.315 29.847 ( -3.383 -7.615 -5.570) 10.023 29.962 ( -0.279 -1.670 -1.581) 2.317 30.281 ( -9.447 -0.637 5.006) 10.711 31.329 ( -5.971 33.559 -18.544) 38.804 31.685 ( -3.425 35.429 -17.555) 39.688 33.232 ( -0.641 -15.617 10.659) 18.918 33.981 ( 2.615 0.099 5.069) 5.705 35.128 ( -0.632 -13.512 -3.203) 13.901 35.589 ( -1.364 18.682 10.866) 21.655 36.454 ( -5.824 10.318 24.800) 27.485 38.331 ( 17.491 -52.314 38.849) 67.468 ======================= Grid point 161 (59/126) ======================= q-point: (-0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -0.000 13.180 9.254) 16.105 3.375 ( -0.000 13.822 28.415) 31.598 3.883 ( -0.000 21.896 34.914) 41.212 4.127 ( -0.000 6.962 2.307) 7.334 4.791 ( -0.000 26.025 4.161) 26.355 5.022 ( -0.000 24.685 -6.350) 25.489 5.431 ( -0.000 24.637 36.499) 44.036 6.070 ( -0.000 28.312 7.739) 29.351 6.506 ( -0.000 12.981 1.149) 13.032 6.851 ( -0.000 16.001 8.635) 18.182 7.038 ( -0.000 5.661 -27.986) 28.553 7.151 ( 0.000 -15.818 7.202) 17.381 7.238 ( -0.000 4.376 -2.023) 4.821 8.311 ( -0.000 1.485 -0.290) 1.514 8.761 ( 0.000 -26.280 36.027) 44.593 9.065 ( 0.000 -11.090 -16.569) 19.938 9.667 ( 0.000 -2.095 -13.601) 13.762 9.811 ( -0.000 8.284 -11.575) 14.234 10.177 ( 0.000 -5.803 -8.190) 10.037 10.740 ( 0.000 -10.791 8.517) 13.747 10.994 ( 0.000 -0.044 12.773) 12.773 11.412 ( 0.000 -1.105 -12.560) 12.608 11.463 ( -0.000 17.052 -13.046) 21.470 11.614 ( -0.000 16.207 -5.386) 17.078 11.773 ( -0.000 9.183 18.127) 20.320 12.337 ( 0.000 -7.872 -11.701) 14.103 13.445 ( -0.000 12.108 -18.725) 22.298 13.666 ( -0.000 8.998 7.841) 11.935 13.965 ( -0.000 0.833 -1.974) 2.142 14.178 ( 0.000 -14.160 -19.084) 23.763 14.297 ( 0.000 -8.547 14.682) 16.988 14.782 ( 0.000 -23.918 -1.221) 23.949 15.141 ( 0.000 -17.240 1.649) 17.318 15.396 ( -0.000 27.562 -7.473) 28.557 16.177 ( 0.000 -45.828 4.027) 46.005 16.204 ( -0.000 18.371 12.091) 21.993 16.906 ( 0.000 -15.499 0.168) 15.500 17.564 ( 0.000 -1.733 6.888) 7.103 17.787 ( 0.000 -13.614 4.329) 14.286 18.140 ( -0.000 4.757 3.514) 5.914 18.299 ( 0.000 -4.989 6.041) 7.835 18.544 ( -0.000 7.770 0.958) 7.829 18.779 ( -0.000 3.472 -9.544) 10.156 20.121 ( -0.000 7.887 1.300) 7.993 20.396 ( -0.000 17.971 0.216) 17.972 20.936 ( 0.000 -25.143 -5.580) 25.754 21.417 ( 0.000 -51.733 -1.892) 51.768 22.110 ( -0.000 6.381 -6.869) 9.376 22.224 ( 0.000 -2.119 -3.944) 4.477 22.562 ( 0.000 -17.568 -2.038) 17.685 22.893 ( -0.000 12.406 -27.162) 29.861 23.373 ( 0.000 -5.881 1.084) 5.980 23.444 ( -0.000 3.242 9.006) 9.571 23.615 ( -0.000 12.438 5.038) 13.420 24.825 ( -0.000 7.822 -4.560) 9.054 25.121 ( -0.000 0.219 -0.910) 0.936 27.395 ( -0.000 27.826 -4.861) 28.248 28.250 ( -0.000 3.734 -6.280) 7.306 28.626 ( -0.000 1.410 -12.211) 12.292 29.127 ( 0.000 -2.909 -13.925) 14.226 29.722 ( 0.000 -2.385 2.902) 3.757 29.914 ( -0.000 7.184 -25.796) 26.778 29.940 ( -0.000 1.266 -1.230) 1.765 30.146 ( -0.000 3.166 5.903) 6.698 30.867 ( -0.000 35.061 -13.901) 37.716 31.269 ( -0.000 33.908 -12.118) 36.009 33.392 ( 0.000 -14.007 10.305) 17.389 33.952 ( -0.000 8.130 12.117) 14.592 35.290 ( 0.000 -14.885 -3.304) 15.247 35.405 ( -0.000 11.849 2.896) 12.198 36.297 ( -0.000 10.656 22.471) 24.870 39.097 ( 0.000 -60.305 37.586) 71.059 ======================= Grid point 166 (60/126) ======================= q-point: ( 0.38 -0.62 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -18.723 -0.000 4.851) 19.341 4.114 ( -2.379 -0.000 2.255) 3.278 4.155 ( 4.832 0.000 7.219) 8.687 4.737 ( -29.076 -0.000 20.923) 35.821 5.066 ( 5.627 0.000 8.028) 9.803 5.380 ( 16.882 0.000 -13.022) 21.321 5.992 ( 15.880 0.000 0.197) 15.881 6.040 ( -6.231 -0.000 38.257) 38.761 6.546 ( 14.546 0.000 27.239) 30.880 6.701 ( 19.787 0.000 -4.067) 20.201 6.895 ( 18.850 0.000 3.487) 19.170 7.774 ( 5.806 0.000 5.826) 8.226 7.962 ( -4.039 -0.000 6.947) 8.036 8.207 ( 10.021 0.000 -5.368) 11.368 8.343 ( -19.066 -0.000 -4.262) 19.537 8.496 ( -6.911 -0.000 -1.944) 7.179 9.521 ( 6.946 0.000 -15.154) 16.670 10.007 ( 0.226 0.000 -0.794) 0.825 10.295 ( 3.057 0.000 9.979) 10.437 10.369 ( -4.857 -0.000 2.052) 5.273 11.259 ( 6.628 0.000 -14.519) 15.960 11.374 ( -16.752 -0.000 11.545) 20.345 11.765 ( 0.556 0.000 -7.270) 7.291 12.092 ( -5.633 -0.000 16.654) 17.580 12.461 ( -9.048 -0.000 -20.597) 22.496 12.737 ( 21.450 0.000 -33.622) 39.882 13.072 ( -5.615 -0.000 -11.635) 12.919 13.228 ( 2.452 0.000 1.046) 2.666 13.486 ( 17.225 0.000 -0.047) 17.225 13.766 ( 8.849 0.000 12.693) 15.473 13.970 ( -4.887 -0.000 -11.551) 12.542 14.637 ( -16.905 -0.000 2.245) 17.053 14.938 ( -5.127 -0.000 4.442) 6.783 15.441 ( -10.513 -0.000 2.618) 10.834 15.620 ( 16.065 0.000 -0.415) 16.070 16.291 ( 1.579 0.000 0.993) 1.866 16.813 ( -10.479 -0.000 15.672) 18.853 18.114 ( -6.967 -0.000 4.829) 8.477 18.197 ( 7.267 0.000 0.598) 7.292 18.217 ( 20.367 0.000 -4.906) 20.949 18.317 ( -10.566 -0.000 5.352) 11.844 18.525 ( -14.775 -0.000 -3.769) 15.248 18.842 ( -0.268 -0.000 -5.844) 5.850 19.377 ( -2.410 -0.000 7.533) 7.909 20.075 ( 13.069 0.000 1.876) 13.203 20.426 ( -9.356 -0.000 -9.483) 13.321 20.887 ( -5.034 -0.000 0.957) 5.124 22.512 ( -21.430 -0.000 -1.679) 21.496 22.566 ( -26.230 -0.000 -4.146) 26.555 22.771 ( -17.451 -0.000 -8.219) 19.290 22.939 ( 9.335 0.000 -12.644) 15.717 23.265 ( -2.932 -0.000 -2.839) 4.082 23.380 ( 4.995 0.000 3.469) 6.081 23.977 ( -0.985 -0.000 -5.658) 5.743 24.728 ( 12.616 0.000 4.078) 13.259 25.004 ( 7.783 0.000 -2.870) 8.295 27.866 ( 4.914 0.000 -9.421) 10.626 28.325 ( 13.616 0.000 -20.210) 24.369 28.474 ( 12.564 0.000 -0.281) 12.567 29.110 ( 5.617 0.000 -6.902) 8.899 29.499 ( -8.750 -0.000 -14.484) 16.921 29.656 ( 8.204 0.000 -3.182) 8.799 29.968 ( -3.961 -0.000 1.144) 4.123 30.402 ( -7.869 -0.000 8.973) 11.935 31.798 ( 12.350 0.000 -27.372) 30.029 32.545 ( 12.526 0.000 -15.598) 20.005 32.921 ( -7.941 -0.000 12.152) 14.517 33.688 ( -7.540 -0.000 -0.054) 7.540 35.009 ( 0.738 0.000 -2.133) 2.257 36.186 ( -4.912 -0.000 36.799) 37.125 36.794 ( 13.820 0.000 17.129) 22.008 36.958 ( -7.610 -0.000 32.978) 33.845 ======================= Grid point 168 (61/126) ======================= q-point: (-0.50 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -11.944 0.778 4.637) 12.836 3.925 ( -16.511 4.972 13.460) 21.875 4.196 ( 1.677 2.682 11.222) 11.659 4.397 ( -7.022 6.691 15.939) 18.658 5.122 ( 2.564 -0.625 5.890) 6.454 5.498 ( 0.875 8.624 4.190) 9.628 5.922 ( 0.897 5.728 21.588) 22.353 6.221 ( 6.338 -9.114 1.073) 11.153 6.748 ( 24.603 17.434 15.383) 33.851 7.045 ( 15.529 0.001 -14.853) 21.488 7.202 ( 10.482 -5.653 1.700) 12.030 7.697 ( -4.832 28.946 -3.295) 29.531 7.775 ( -6.946 16.104 8.322) 19.412 7.985 ( -4.771 -10.001 20.322) 23.147 8.403 ( -3.323 -0.176 -1.486) 3.644 8.550 ( -1.336 -23.828 -7.562) 25.035 9.601 ( 2.356 -1.046 -14.078) 14.312 10.003 ( 3.756 5.408 -1.597) 6.775 10.248 ( -3.433 9.118 12.672) 15.985 10.366 ( -2.799 -9.850 3.234) 10.738 11.091 ( -11.951 2.570 13.606) 18.291 11.352 ( 3.878 -0.816 -15.449) 15.949 11.828 ( -0.613 -10.461 -8.455) 13.465 12.024 ( 1.244 6.688 19.968) 21.095 12.255 ( -5.045 15.064 -20.488) 25.926 12.663 ( -2.731 35.922 -15.928) 39.390 13.244 ( 15.613 -15.448 -28.813) 36.229 13.438 ( 5.241 -21.254 2.016) 21.984 13.721 ( 9.214 3.650 -10.992) 14.800 13.939 ( 5.346 2.075 -5.093) 7.670 14.105 ( 12.689 -23.808 8.254) 28.213 14.384 ( -21.379 -14.947 -2.156) 26.175 14.772 ( -6.215 11.643 4.733) 14.021 15.050 ( -26.458 -16.363 4.020) 31.368 16.125 ( -0.233 21.246 7.586) 22.561 16.235 ( 33.107 -1.367 -0.555) 33.140 16.917 ( 2.849 -24.546 13.114) 27.975 17.809 ( -10.738 28.746 7.672) 31.630 17.863 ( -22.239 19.012 1.635) 29.304 18.216 ( -3.522 -1.885 4.041) 5.682 18.393 ( 5.523 4.180 -0.833) 6.976 18.572 ( 12.656 -1.963 -2.226) 12.999 18.888 ( -3.464 -2.147 -7.725) 8.734 19.583 ( 0.683 -40.692 5.420) 41.057 20.233 ( 8.731 2.915 1.639) 9.350 20.365 ( -4.953 -10.484 -9.648) 15.084 20.844 ( -0.707 3.230 0.654) 3.371 22.162 ( -13.624 1.547 -2.827) 14.000 22.280 ( -19.241 -8.785 -3.442) 21.430 22.501 ( -11.868 4.133 -8.799) 15.342 23.057 ( 7.489 2.362 -14.038) 16.085 23.228 ( -2.902 -1.859 -2.187) 4.082 23.489 ( 4.753 -0.671 7.192) 8.647 23.935 ( -0.787 5.334 -4.202) 6.835 24.886 ( 6.569 -0.814 2.683) 7.142 25.103 ( 5.541 1.875 -3.744) 6.945 27.915 ( 3.419 3.857 -9.284) 10.619 28.508 ( 10.753 6.861 -9.853) 16.118 28.589 ( 9.174 6.841 -4.992) 12.485 29.087 ( -8.775 -1.401 -8.709) 12.442 29.533 ( 7.143 -8.671 -13.192) 17.327 29.718 ( -1.285 -1.530 -0.178) 2.005 29.952 ( 1.525 0.066 -1.956) 2.481 30.269 ( -8.370 -0.316 8.073) 11.633 31.865 ( 3.898 13.938 -28.738) 32.177 32.450 ( 2.075 32.674 -11.733) 34.779 32.926 ( -2.630 -12.540 8.841) 15.567 33.717 ( -2.017 -18.855 -2.869) 19.178 35.013 ( 0.161 0.163 -2.851) 2.860 35.996 ( -4.341 15.173 30.815) 34.621 36.707 ( -0.905 16.796 23.765) 29.115 37.326 ( 9.334 -40.292 30.358) 51.305 ======================= Grid point 169 (62/126) ======================= q-point: (-0.38 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -0.000 3.231 5.054) 5.999 3.672 ( -0.000 11.541 24.424) 27.013 4.155 ( -0.000 6.973 18.196) 19.486 4.286 ( -0.000 7.421 8.213) 11.069 5.175 ( 0.000 -2.532 3.278) 4.142 5.311 ( -0.000 20.308 12.451) 23.821 5.854 ( -0.000 12.408 12.565) 17.659 6.387 ( 0.000 -11.660 3.798) 12.263 6.941 ( -0.000 3.206 16.378) 16.689 6.967 ( -0.000 38.333 -11.267) 39.954 7.162 ( -0.000 6.419 -14.889) 16.214 7.364 ( -0.000 12.835 -6.508) 14.391 7.544 ( -0.000 24.768 6.873) 25.704 8.195 ( 0.000 -25.705 38.042) 45.912 8.343 ( -0.000 1.284 0.119) 1.290 8.762 ( 0.000 -17.981 -12.985) 22.179 9.629 ( 0.000 -1.378 -13.113) 13.186 9.987 ( -0.000 7.465 -12.329) 14.413 10.091 ( -0.000 5.586 14.995) 16.002 10.470 ( 0.000 -13.262 5.522) 14.366 10.994 ( -0.000 0.042 14.102) 14.103 11.392 ( 0.000 -0.740 -15.589) 15.607 11.919 ( 0.000 -1.785 -14.350) 14.461 11.967 ( -0.000 8.053 22.178) 23.594 12.019 ( -0.000 19.811 -9.551) 21.993 12.262 ( -0.000 25.731 -21.007) 33.217 13.496 ( 0.000 -14.991 -2.919) 15.273 13.695 ( -0.000 7.922 -17.793) 19.477 13.800 ( 0.000 -18.615 -18.496) 26.242 13.986 ( -0.000 1.255 -2.000) 2.361 14.302 ( 0.000 -18.674 -0.133) 18.674 14.447 ( -0.000 1.793 2.474) 3.055 14.792 ( 0.000 -13.746 1.236) 13.801 15.035 ( 0.000 -40.817 12.271) 42.622 15.869 ( -0.000 21.378 4.902) 21.933 16.612 ( 0.000 -8.220 0.621) 8.243 17.123 ( -0.000 33.016 0.876) 33.027 17.369 ( 0.000 -5.699 14.665) 15.733 17.531 ( 0.000 -1.182 7.084) 7.182 18.213 ( 0.000 -2.894 5.253) 5.998 18.356 ( -0.000 10.277 0.687) 10.299 18.682 ( -0.000 3.674 0.602) 3.723 18.839 ( -0.000 1.937 -9.950) 10.137 20.125 ( 0.000 -52.879 2.250) 52.927 20.266 ( -0.000 5.161 1.514) 5.378 20.492 ( 0.000 -19.671 -8.184) 21.306 20.763 ( -0.000 8.029 -0.711) 8.060 22.088 ( 0.000 -3.311 -3.116) 4.547 22.217 ( 0.000 -12.984 -2.380) 13.200 22.340 ( -0.000 7.330 -8.473) 11.203 23.089 ( -0.000 5.612 -20.700) 21.448 23.240 ( 0.000 -5.604 0.947) 5.683 23.510 ( -0.000 2.374 8.818) 9.132 23.848 ( -0.000 9.222 -0.553) 9.239 24.938 ( -0.000 1.484 -2.019) 2.506 25.129 ( -0.000 1.513 -1.662) 2.247 27.865 ( -0.000 12.056 -8.337) 14.658 28.437 ( -0.000 16.017 -2.557) 16.220 28.655 ( -0.000 1.119 -10.679) 10.738 29.028 ( 0.000 -4.762 -12.253) 13.146 29.695 ( 0.000 -0.386 1.253) 1.312 29.761 ( 0.000 -14.315 -12.931) 19.291 29.966 ( -0.000 1.038 -1.935) 2.196 30.186 ( -0.000 0.723 7.109) 7.145 31.639 ( -0.000 30.088 -26.244) 39.926 32.066 ( -0.000 38.703 -12.562) 40.691 33.059 ( 0.000 -15.432 8.379) 17.560 33.914 ( 0.000 -15.647 -1.737) 15.743 35.029 ( 0.000 -4.314 -2.283) 4.880 35.778 ( -0.000 19.023 21.751) 28.896 36.534 ( -0.000 12.871 22.573) 25.985 37.903 ( 0.000 -50.516 35.598) 61.799 ======================= Grid point 177 (63/126) ======================= q-point: (-0.50 0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 0.000 -0.000 4.932) 4.932 3.800 ( 0.000 -0.000 19.067) 19.067 4.228 ( -0.000 0.000 10.641) 10.641 4.384 ( 0.000 -0.000 12.844) 12.844 5.122 ( -0.000 0.000 5.651) 5.651 5.561 ( -0.000 0.000 19.835) 19.835 5.974 ( -0.000 0.000 11.563) 11.563 6.215 ( 0.000 -0.000 -5.636) 5.636 7.078 ( -0.000 0.000 24.816) 24.816 7.185 ( 0.000 -0.000 -27.172) 27.172 7.269 ( 0.000 -0.000 -4.513) 4.513 7.783 ( -0.000 0.000 15.831) 15.831 7.831 ( 0.000 -0.000 19.455) 19.455 7.890 ( -0.000 0.000 -7.803) 7.803 8.336 ( 0.000 -0.000 0.421) 0.421 8.406 ( 0.000 -0.000 -6.673) 6.673 9.613 ( 0.000 -0.000 -12.961) 12.961 10.090 ( 0.000 -0.000 -12.127) 12.127 10.261 ( -0.000 0.000 29.419) 29.419 10.284 ( -0.000 0.000 2.983) 2.983 10.994 ( 0.000 -0.000 14.611) 14.611 11.384 ( 0.000 -0.000 -16.239) 16.239 11.760 ( 0.000 -0.000 -9.168) 9.168 12.064 ( 0.000 -0.000 23.422) 23.422 12.302 ( 0.000 -0.000 -23.218) 23.218 12.927 ( 0.000 -0.000 -14.192) 14.192 13.278 ( 0.000 -0.000 -2.464) 2.464 13.370 ( 0.000 -0.000 -43.335) 43.335 13.792 ( 0.000 -0.000 -15.885) 15.885 14.033 ( -0.000 0.000 -2.543) 2.543 14.057 ( 0.000 -0.000 0.935) 0.935 14.108 ( 0.000 -0.000 20.853) 20.853 14.632 ( 0.000 -0.000 1.015) 1.015 14.840 ( 0.000 -0.000 5.764) 5.764 16.313 ( 0.000 -0.000 0.741) 0.741 16.421 ( -0.000 0.000 13.901) 13.901 16.897 ( 0.000 -0.000 7.121) 7.121 17.518 ( -0.000 0.000 7.148) 7.148 18.181 ( -0.000 0.000 4.918) 4.918 18.201 ( -0.000 0.000 3.992) 3.992 18.356 ( 0.000 -0.000 0.060) 0.060 18.638 ( 0.000 -0.000 -4.885) 4.885 18.859 ( 0.000 -0.000 -10.102) 10.102 19.335 ( -0.000 0.000 8.679) 8.679 20.264 ( 0.000 -0.000 -9.938) 9.938 20.324 ( 0.000 -0.000 1.604) 1.604 20.873 ( 0.000 -0.000 0.535) 0.535 22.049 ( 0.000 -0.000 -3.047) 3.047 22.068 ( 0.000 -0.000 -2.945) 2.945 22.428 ( 0.000 -0.000 -9.081) 9.081 23.145 ( -0.000 0.000 -16.803) 16.803 23.172 ( 0.000 -0.000 1.161) 1.161 23.536 ( 0.000 -0.000 8.674) 8.674 23.960 ( 0.000 -0.000 -6.157) 6.157 24.933 ( 0.000 -0.000 4.655) 4.655 25.159 ( 0.000 -0.000 -5.221) 5.221 27.962 ( 0.000 -0.000 -9.497) 9.497 28.668 ( 0.000 -0.000 -9.995) 9.995 28.719 ( 0.000 -0.000 0.923) 0.923 28.964 ( -0.000 0.000 -13.240) 13.240 29.534 ( 0.000 -0.000 -11.799) 11.799 29.694 ( 0.000 -0.000 0.262) 0.262 29.978 ( 0.000 -0.000 -2.311) 2.311 30.190 ( 0.000 -0.000 7.943) 7.943 31.988 ( 0.000 -0.000 -30.895) 30.895 32.734 ( -0.000 0.000 -15.178) 15.178 32.771 ( 0.000 -0.000 11.371) 11.371 33.560 ( -0.000 0.000 -2.308) 2.308 35.018 ( -0.000 0.000 -4.138) 4.138 36.032 ( 0.000 -0.000 34.731) 34.731 36.950 ( 0.000 -0.000 29.986) 29.986 37.034 ( -0.000 0.000 21.462) 21.462 ======================= Grid point 207 (64/126) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.000 0.000 -8.605) 8.605 3.412 ( 0.000 0.000 42.237) 42.237 3.642 ( 0.000 0.000 37.199) 37.199 3.878 ( 0.000 0.000 5.721) 5.721 3.986 ( 0.000 0.000 -1.352) 1.352 4.714 ( 0.000 0.000 -0.799) 0.799 5.348 ( 0.000 0.000 5.955) 5.955 6.012 ( 0.000 0.000 5.083) 5.083 6.159 ( 0.000 0.000 -34.038) 34.038 6.260 ( 0.000 0.000 43.373) 43.373 7.217 ( 0.000 0.000 39.720) 39.720 7.241 ( 0.000 0.000 7.898) 7.898 8.098 ( 0.000 0.000 0.022) 0.022 8.254 ( 0.000 0.000 -0.734) 0.734 8.810 ( 0.000 0.000 3.797) 3.797 8.934 ( 0.000 0.000 -19.417) 19.417 9.361 ( 0.000 0.000 -12.281) 12.281 9.389 ( 0.000 0.000 -16.136) 16.136 10.739 ( 0.000 0.000 -0.426) 0.426 10.859 ( 0.000 0.000 -22.929) 22.929 11.087 ( 0.000 0.000 -0.942) 0.942 11.215 ( 0.000 0.000 9.611) 9.611 11.285 ( 0.000 0.000 -7.924) 7.924 11.398 ( 0.000 0.000 15.522) 15.522 11.837 ( 0.000 0.000 17.902) 17.902 12.719 ( 0.000 0.000 -12.193) 12.193 12.885 ( 0.000 0.000 2.465) 2.465 13.295 ( 0.000 0.000 -1.088) 1.088 13.333 ( 0.000 0.000 -7.744) 7.744 13.908 ( 0.000 0.000 -1.931) 1.931 14.829 ( 0.000 0.000 -36.828) 36.828 15.057 ( 0.000 0.000 26.148) 26.148 15.361 ( 0.000 0.000 -0.168) 0.168 15.626 ( 0.000 0.000 -0.080) 0.080 16.298 ( 0.000 0.000 3.570) 3.570 17.327 ( 0.000 0.000 -23.188) 23.188 17.431 ( 0.000 0.000 -12.677) 12.677 17.613 ( 0.000 0.000 -1.517) 1.517 17.759 ( 0.000 0.000 7.085) 7.085 18.189 ( 0.000 0.000 -0.625) 0.625 18.480 ( 0.000 0.000 -8.326) 8.326 18.546 ( 0.000 0.000 1.201) 1.201 18.610 ( 0.000 0.000 6.794) 6.794 19.760 ( 0.000 0.000 7.686) 7.686 19.902 ( 0.000 0.000 0.640) 0.640 21.435 ( 0.000 0.000 -5.264) 5.264 21.757 ( 0.000 0.000 -4.386) 4.386 22.290 ( 0.000 0.000 -3.134) 3.134 22.313 ( 0.000 0.000 -4.488) 4.488 22.474 ( 0.000 0.000 -0.885) 0.885 22.900 ( 0.000 0.000 -6.527) 6.527 23.247 ( 0.000 0.000 0.689) 0.689 23.502 ( 0.000 0.000 6.973) 6.973 23.564 ( 0.000 0.000 1.136) 1.136 24.681 ( 0.000 0.000 6.052) 6.052 25.192 ( 0.000 0.000 3.909) 3.909 26.767 ( 0.000 0.000 1.939) 1.939 27.879 ( 0.000 0.000 -8.768) 8.768 27.966 ( 0.000 0.000 -8.637) 8.637 28.314 ( 0.000 0.000 -12.252) 12.252 28.829 ( 0.000 0.000 -18.258) 18.258 29.861 ( 0.000 0.000 -1.840) 1.840 29.902 ( 0.000 0.000 -0.768) 0.768 30.151 ( 0.000 0.000 9.418) 9.418 30.422 ( 0.000 0.000 1.632) 1.632 30.778 ( 0.000 0.000 1.170) 1.170 33.700 ( 0.000 0.000 10.037) 10.037 34.378 ( 0.000 0.000 18.780) 18.780 35.017 ( 0.000 0.000 -0.115) 0.115 35.733 ( 0.000 0.000 -5.984) 5.984 36.353 ( 0.000 0.000 21.648) 21.648 41.035 ( 0.000 0.000 0.505) 0.505 ======================= Grid point 208 (65/126) ======================= q-point: ( 0.12 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 28.945 -13.039 -8.058) 32.753 3.590 ( 7.644 -17.665 36.021) 40.841 3.896 ( 23.839 -7.883 33.275) 41.686 3.989 ( 8.055 -4.067 2.213) 9.291 4.081 ( 7.987 -10.615 2.243) 13.472 4.628 ( -7.851 2.429 1.231) 8.310 5.441 ( 0.990 -13.149 8.238) 15.548 6.046 ( 4.916 3.945 -4.285) 7.622 6.189 ( 0.631 -6.739 -19.829) 20.953 6.298 ( 2.933 -2.615 33.260) 33.492 7.128 ( -6.066 -4.762 26.597) 27.693 7.357 ( 7.784 0.579 20.749) 22.168 7.989 ( 1.764 18.237 6.588) 19.470 8.277 ( 2.426 -0.751 -0.735) 2.643 8.907 ( -6.464 -21.323 2.148) 22.385 8.948 ( 3.497 3.023 -18.623) 19.188 9.354 ( -3.250 0.452 -15.351) 15.697 9.399 ( 2.171 -5.192 -12.202) 13.437 10.455 ( -11.044 23.069 2.129) 25.665 10.829 ( -2.970 0.300 -20.417) 20.634 11.074 ( -4.769 -0.978 -6.390) 8.034 11.183 ( 0.423 1.994 6.161) 6.489 11.337 ( 7.514 -3.634 5.529) 10.012 11.619 ( 8.848 -6.283 6.027) 12.413 12.040 ( 20.715 -6.697 14.673) 26.254 12.551 ( -2.986 22.766 0.989) 22.982 12.820 ( -4.504 2.137 -14.213) 15.062 13.259 ( 0.868 -6.934 -4.247) 8.177 13.499 ( -14.849 -26.394 -2.326) 30.373 13.858 ( -4.465 -6.906 -0.379) 8.232 14.556 ( -17.755 16.417 -29.755) 38.342 15.164 ( 8.200 -0.072 22.416) 23.869 15.376 ( 4.187 6.152 1.385) 7.570 15.704 ( 12.704 7.574 -3.310) 15.156 16.113 ( -17.286 -0.108 6.613) 18.508 16.892 ( -28.260 13.596 -15.344) 34.913 17.450 ( -0.806 0.615 -9.167) 9.222 17.523 ( 1.186 9.549 -0.003) 9.623 18.121 ( 29.027 3.406 2.582) 29.340 18.182 ( -6.532 -8.343 1.407) 10.689 18.356 ( -10.494 -1.094 -4.891) 11.630 18.588 ( 3.611 4.779 0.669) 6.027 18.701 ( 9.435 1.620 0.682) 9.598 19.771 ( -8.379 -5.071 3.399) 10.367 19.862 ( -5.133 -12.597 2.298) 13.796 21.402 ( -7.041 -1.928 -3.535) 8.111 21.685 ( -7.965 2.339 -5.091) 9.738 22.104 ( 0.476 21.565 -7.377) 22.797 22.511 ( 25.385 3.710 -12.104) 28.367 22.647 ( 1.007 -11.586 -0.368) 11.636 22.885 ( 7.833 10.443 -5.413) 14.132 23.290 ( 1.694 -6.057 2.251) 6.680 23.569 ( 3.914 1.400 1.540) 4.433 23.587 ( 7.113 -0.487 4.290) 8.321 24.658 ( -6.215 -4.541 4.442) 8.887 25.138 ( -1.800 8.279 3.103) 9.023 26.726 ( -4.448 -5.239 0.453) 6.888 27.872 ( -10.048 -8.587 -8.751) 15.852 28.028 ( -3.859 -18.518 -10.142) 21.464 28.425 ( 9.948 -1.180 -11.987) 15.622 28.810 ( -3.668 -3.901 -16.601) 17.443 29.933 ( 7.336 1.109 -4.277) 8.564 29.984 ( 9.904 0.578 -2.405) 10.208 30.192 ( 3.389 -3.731 8.139) 9.573 30.472 ( 5.792 -2.670 3.083) 7.084 30.817 ( 4.698 -1.008 0.953) 4.899 33.692 ( -2.422 -1.992 8.956) 9.489 34.351 ( -0.533 4.696 17.921) 18.534 35.042 ( -0.878 -6.048 0.735) 6.156 35.714 ( 4.493 10.324 -4.300) 12.053 36.433 ( 4.006 -9.745 21.849) 24.257 40.699 ( -28.164 18.115 7.485) 34.313 ======================= Grid point 209 (66/126) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 31.080 -7.369 -5.440) 32.401 3.912 ( 6.061 -16.541 22.091) 28.255 4.130 ( 9.006 0.245 -1.100) 9.076 4.418 ( 9.696 -16.248 11.537) 22.161 4.431 ( 6.387 -9.935 7.200) 13.832 4.534 ( 16.988 -8.168 14.042) 23.505 5.603 ( 0.492 -13.715 15.406) 20.632 6.035 ( -0.766 3.171 -10.002) 10.521 6.302 ( 2.420 -3.076 7.350) 8.327 6.388 ( 4.102 -3.912 4.972) 7.540 7.220 ( 5.157 -16.550 23.707) 29.369 7.455 ( 7.053 1.696 20.815) 22.043 7.850 ( 5.246 16.382 18.015) 24.908 8.334 ( 2.556 -1.155 -1.679) 3.269 8.945 ( -0.134 4.731 -14.133) 14.905 8.968 ( -11.856 -17.291 2.860) 21.160 9.305 ( -0.403 0.737 -15.089) 15.113 9.538 ( -0.368 -11.819 -4.082) 12.510 10.080 ( -3.522 18.575 -4.877) 19.525 10.786 ( -2.967 -2.022 -18.009) 18.363 10.953 ( -9.538 0.836 -3.677) 10.256 11.223 ( 8.106 7.689 4.575) 12.072 11.489 ( 5.858 -4.577 2.401) 7.812 11.751 ( 6.519 4.829 2.927) 8.625 12.291 ( -1.468 11.539 -0.398) 11.638 12.408 ( 12.878 4.286 4.610) 14.334 12.857 ( 11.153 -11.511 -13.033) 20.658 13.301 ( -22.239 -7.449 -2.994) 23.643 13.438 ( 0.710 -14.125 -2.190) 14.312 14.001 ( -3.955 -5.099 -3.840) 7.509 14.086 ( -14.098 -1.471 -16.124) 21.468 15.135 ( -3.364 15.593 13.251) 20.737 15.290 ( -4.699 12.643 2.068) 13.646 15.716 ( -19.650 -6.247 7.575) 21.966 16.010 ( 16.834 9.495 -1.285) 19.369 16.460 ( -5.913 4.203 -6.028) 9.432 17.314 ( 3.542 21.323 -0.338) 21.618 17.516 ( -3.218 -2.534 -7.101) 8.197 18.035 ( -15.626 -4.703 2.198) 16.466 18.178 ( -9.790 1.507 1.232) 9.981 18.503 ( 7.438 5.844 0.415) 9.469 18.634 ( 12.952 1.512 3.523) 13.508 18.812 ( 13.531 4.138 -0.805) 14.172 19.648 ( -12.588 -8.597 -0.900) 15.270 20.034 ( -0.892 -24.104 1.918) 24.197 21.231 ( -15.900 0.048 -1.419) 15.963 21.494 ( 0.730 18.096 -6.294) 19.173 21.901 ( -8.937 6.771 -11.458) 16.031 22.708 ( 6.196 4.761 -2.650) 8.252 22.818 ( 18.420 13.339 -14.940) 27.211 22.997 ( 17.646 4.466 -6.593) 19.360 23.381 ( 0.575 -5.789 3.829) 6.964 23.654 ( 4.752 -5.682 0.314) 7.414 23.717 ( 8.783 2.945 3.201) 9.801 24.582 ( -10.788 -6.878 1.476) 12.879 24.954 ( -6.984 12.022 1.527) 13.988 26.835 ( 4.018 -15.693 -4.064) 16.701 27.784 ( -10.579 -5.662 -8.127) 14.492 28.137 ( -5.986 -15.502 -11.257) 20.072 28.495 ( -3.320 0.986 -14.411) 14.822 28.897 ( 6.980 -9.427 -12.028) 16.801 29.920 ( -4.700 5.032 -7.321) 10.050 30.200 ( 14.313 -0.948 0.807) 14.367 30.367 ( 10.775 -7.654 0.121) 13.217 30.650 ( 6.027 -8.950 3.415) 11.318 30.985 ( 15.247 -2.244 -1.983) 15.538 33.671 ( -3.160 -3.152 6.921) 8.235 34.254 ( -3.256 8.112 15.799) 18.056 35.120 ( -1.603 -12.113 2.163) 12.408 35.651 ( 6.514 17.878 -0.712) 19.041 36.705 ( 12.535 -17.772 23.381) 31.932 39.874 ( -42.012 27.586 19.806) 54.021 ======================= Grid point 210 (67/126) ======================= q-point: ( 0.38 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( 25.301 -1.442 -1.706) 25.400 3.985 ( -10.417 -1.740 7.022) 12.682 4.275 ( 7.816 -2.198 2.157) 8.400 4.376 ( -4.395 -7.724 2.036) 9.117 4.869 ( 12.976 -14.655 10.351) 22.142 4.983 ( 17.043 -6.607 7.664) 19.821 5.736 ( 0.906 -9.405 16.767) 19.246 5.986 ( -3.816 -0.362 5.769) 6.926 6.300 ( 2.686 4.088 6.974) 8.518 6.471 ( -0.605 -1.935 3.241) 3.823 7.465 ( 8.127 -2.329 0.767) 8.489 7.703 ( 8.801 -16.228 21.862) 28.614 7.804 ( 12.147 8.916 34.616) 37.753 8.343 ( -4.658 -2.373 -3.749) 6.433 8.837 ( -7.190 1.853 -4.398) 8.630 8.915 ( -9.162 -2.084 12.344) 15.514 9.345 ( 6.587 2.186 -13.610) 15.277 9.508 ( -9.514 -4.030 3.932) 11.055 10.089 ( 10.082 -5.426 -17.116) 20.592 10.691 ( -7.904 12.005 -13.147) 19.479 10.864 ( -3.301 -11.604 -4.013) 12.715 11.188 ( 2.525 16.407 -0.136) 16.600 11.627 ( 6.722 -3.866 -2.113) 8.037 11.767 ( 3.588 2.609 -3.811) 5.848 12.268 ( 4.805 5.510 -2.349) 7.679 12.413 ( -2.074 0.294 -3.132) 3.768 12.969 ( -20.437 -12.765 -10.825) 26.416 13.303 ( 7.893 13.133 -11.334) 19.058 13.504 ( 15.866 -0.027 -3.849) 16.326 13.905 ( 3.356 -20.390 -0.130) 20.665 14.256 ( -4.190 -15.233 4.247) 16.359 14.834 ( -16.574 2.468 6.592) 18.007 14.975 ( -14.192 16.061 1.957) 21.522 15.306 ( -16.184 16.301 0.823) 22.985 16.309 ( 27.115 7.357 -1.842) 28.156 16.563 ( 3.609 -13.748 3.305) 14.593 17.159 ( 2.757 15.879 -0.171) 16.117 17.395 ( -9.927 5.613 -1.660) 11.524 17.868 ( -11.372 -6.831 1.764) 13.382 17.991 ( -7.899 6.060 4.418) 10.893 18.500 ( -1.730 -4.367 0.073) 4.698 18.652 ( 1.816 10.126 1.353) 10.376 19.139 ( 23.745 1.961 1.404) 23.867 19.560 ( -11.983 -9.130 -1.059) 15.102 20.312 ( 1.684 -25.665 0.432) 25.723 20.935 ( -13.334 10.114 -0.607) 16.746 21.389 ( 10.962 18.071 -8.747) 22.875 21.665 ( -16.967 -2.153 -11.664) 20.702 22.761 ( 5.867 3.143 -5.507) 8.639 22.867 ( 7.441 12.172 -11.403) 18.263 23.230 ( 13.458 1.191 -4.959) 14.392 23.442 ( 2.523 0.426 -2.861) 3.838 23.786 ( 7.806 6.029 5.053) 11.082 23.795 ( 0.642 -9.550 2.945) 10.015 24.491 ( -10.377 -9.428 -0.731) 14.040 24.704 ( -7.598 11.535 0.109) 13.813 27.128 ( 10.025 -15.401 -7.643) 19.902 27.649 ( -10.489 0.686 -7.755) 13.063 28.191 ( -1.519 -6.970 -12.035) 13.990 28.378 ( -7.666 1.466 -14.161) 16.169 29.158 ( 11.454 -10.062 -10.251) 18.371 29.725 ( -10.191 8.066 -8.193) 15.364 30.399 ( 6.848 -5.516 3.951) 9.640 30.563 ( 7.809 5.440 -0.006) 9.517 30.893 ( 6.651 -21.407 -3.972) 22.765 31.233 ( 12.001 3.910 -6.984) 14.425 33.695 ( 0.837 -6.750 6.637) 9.504 34.076 ( -6.357 10.578 12.403) 17.496 35.244 ( -2.952 -17.603 3.311) 18.153 35.539 ( 6.069 21.413 2.319) 22.377 37.216 ( 24.419 -23.448 26.303) 42.872 38.887 ( -42.519 29.381 27.170) 58.389 ======================= Grid point 211 (68/126) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.739 ( -19.636 0.089 1.925) 19.730 3.739 ( 19.636 -0.089 1.925) 19.730 4.376 ( -5.951 -6.865 1.416) 9.196 4.376 ( 5.951 6.865 1.416) 9.196 5.105 ( -0.069 -7.558 5.557) 9.381 5.105 ( 0.069 7.558 5.557) 9.381 5.872 ( 1.952 -3.685 14.216) 14.815 5.872 ( -1.952 3.685 14.216) 14.815 6.389 ( -6.097 -2.608 6.649) 9.391 6.389 ( 6.097 2.608 6.649) 9.391 7.633 ( 4.122 -9.176 10.565) 14.588 7.633 ( -4.122 9.176 10.565) 14.588 8.187 ( -15.840 4.191 13.024) 20.931 8.187 ( 15.840 -4.191 13.024) 20.931 8.778 ( -3.364 -9.239 10.381) 14.298 8.778 ( 3.364 9.239 10.381) 14.298 9.430 ( -8.601 -7.146 -6.721) 13.047 9.430 ( 8.601 7.146 -6.721) 13.047 10.378 ( 0.222 -16.797 -12.020) 20.656 10.378 ( -0.222 16.797 -12.020) 20.656 11.009 ( 0.100 -17.448 -5.904) 18.420 11.009 ( -0.100 17.448 -5.904) 18.420 11.761 ( -5.778 -9.164 -5.264) 12.044 11.761 ( 5.778 9.164 -5.264) 12.044 12.318 ( -10.845 -4.660 -1.836) 11.945 12.318 ( 10.845 4.660 -1.836) 11.945 13.016 ( 1.133 -22.927 -15.059) 27.454 13.016 ( -1.133 22.927 -15.059) 27.454 13.985 ( -22.500 -5.955 2.247) 23.383 13.985 ( 22.500 5.955 2.247) 23.383 14.396 ( 10.587 -16.761 6.506) 20.865 14.396 ( -10.587 16.761 6.506) 20.865 14.951 ( -0.302 -25.170 -0.923) 25.189 14.951 ( 0.302 25.170 -0.923) 25.189 16.607 ( -20.519 -19.903 -0.778) 28.597 16.607 ( 20.519 19.903 -0.778) 28.597 17.166 ( -11.144 -18.292 3.029) 21.632 17.166 ( 11.144 18.292 3.029) 21.632 17.849 ( -0.824 -7.218 3.000) 7.860 17.849 ( 0.824 7.218 3.000) 7.860 18.560 ( -2.043 -10.299 0.497) 10.512 18.560 ( 2.043 10.299 0.497) 10.512 19.421 ( -16.815 -5.783 0.392) 17.786 19.421 ( 16.815 5.783 0.392) 17.786 20.619 ( 6.229 -20.074 -0.170) 21.019 20.619 ( -6.229 20.074 -0.170) 21.019 21.457 ( -20.589 -21.915 -10.691) 31.913 21.457 ( 20.589 21.915 -10.691) 31.913 22.823 ( -1.556 -5.367 -8.680) 10.324 22.823 ( 1.556 5.367 -8.680) 10.324 23.395 ( -6.750 1.768 -3.633) 7.867 23.395 ( 6.750 -1.768 -3.633) 7.867 23.842 ( -11.203 -13.793 4.331) 18.290 23.842 ( 11.203 13.793 4.331) 18.290 24.511 ( -1.021 -12.280 -0.944) 12.359 24.511 ( 1.021 12.280 -0.944) 12.359 27.430 ( 2.162 -8.613 -8.157) 12.058 27.430 ( -2.162 8.613 -8.157) 12.058 28.259 ( -9.071 -13.519 -13.086) 20.888 28.259 ( 9.071 13.519 -13.086) 20.888 29.451 ( 11.203 -9.367 -9.146) 17.231 29.451 ( -11.203 9.367 -9.146) 17.231 30.533 ( -4.482 -11.237 3.028) 12.471 30.533 ( 4.482 11.237 3.028) 12.471 31.198 ( -0.044 -17.322 -8.333) 19.222 31.198 ( 0.044 17.322 -8.333) 19.222 33.852 ( -1.074 -13.106 8.778) 15.811 33.852 ( 1.074 13.106 8.778) 15.811 35.394 ( -4.732 -21.237 3.644) 22.061 35.394 ( 4.732 21.237 3.644) 22.061 37.962 ( 30.492 -26.039 28.470) 49.176 37.962 ( -30.492 26.039 28.470) 49.176 ======================= Grid point 217 (69/126) ======================= q-point: ( 0.12 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 40.048 0.000 -10.674) 41.446 3.692 ( 15.050 0.000 31.583) 34.985 4.145 ( 9.693 0.000 -3.008) 10.149 4.185 ( 19.236 0.000 7.043) 20.485 4.309 ( 16.014 0.000 15.398) 22.216 4.520 ( 4.379 0.000 16.731) 17.295 5.442 ( 7.346 0.000 10.661) 12.947 6.089 ( -4.606 -0.000 -19.678) 20.210 6.239 ( 11.466 0.000 7.360) 13.625 6.347 ( 4.532 0.000 20.511) 21.006 7.022 ( -1.558 -0.000 26.349) 26.395 7.501 ( 9.339 0.000 16.513) 18.971 8.137 ( 2.913 0.000 7.281) 7.841 8.316 ( 1.358 0.000 -1.316) 1.891 8.657 ( -7.980 -0.000 8.621) 11.747 9.003 ( -1.121 -0.000 -16.900) 16.937 9.314 ( 0.259 0.000 -15.226) 15.228 9.382 ( -0.747 -0.000 -9.200) 9.230 10.391 ( -10.529 -0.000 1.936) 10.705 10.790 ( -3.600 -0.000 -26.029) 26.277 10.875 ( -11.116 -0.000 3.951) 11.797 11.304 ( 9.842 0.000 5.254) 11.157 11.406 ( 4.775 0.000 3.365) 5.842 11.825 ( 15.491 0.000 -2.939) 15.767 12.391 ( 20.268 0.000 9.022) 22.185 12.654 ( -4.387 -0.000 -10.586) 11.459 12.736 ( -1.235 -0.000 4.822) 4.978 13.084 ( -13.071 -0.000 -6.909) 14.784 13.233 ( -0.526 -0.000 -3.690) 3.727 13.728 ( -3.820 -0.000 1.007) 3.950 14.316 ( -21.968 -0.000 -24.593) 32.976 15.332 ( 10.276 0.000 24.361) 26.440 15.420 ( -4.373 -0.000 2.483) 5.029 15.583 ( -31.020 -0.000 6.203) 31.634 16.131 ( 19.828 0.000 -2.091) 19.938 16.570 ( -16.618 -0.000 -11.918) 20.450 17.388 ( -6.723 -0.000 -11.429) 13.260 17.675 ( 7.024 0.000 3.622) 7.903 17.955 ( -13.989 -0.000 1.832) 14.109 18.158 ( -11.316 -0.000 -6.826) 13.215 18.646 ( 28.976 0.000 4.037) 29.256 18.677 ( 1.854 0.000 1.335) 2.285 18.837 ( 9.098 0.000 -3.510) 9.751 19.540 ( -17.548 -0.000 -1.835) 17.644 19.702 ( -2.749 -0.000 7.315) 7.815 21.191 ( -15.670 -0.000 -2.154) 15.817 21.580 ( -8.399 -0.000 -10.018) 13.073 22.370 ( 4.891 0.000 -3.168) 5.827 22.467 ( -1.955 -0.000 0.793) 2.109 22.972 ( 24.699 0.000 -22.032) 33.098 23.052 ( 7.228 0.000 -5.745) 9.233 23.344 ( 6.372 0.000 2.141) 6.722 23.608 ( 1.823 0.000 -2.112) 2.791 23.766 ( 12.454 0.000 2.558) 12.714 24.468 ( -13.046 -0.000 1.824) 13.173 25.143 ( -6.369 -0.000 4.904) 8.038 26.661 ( 4.143 0.000 -2.800) 5.000 27.667 ( -7.249 -0.000 -7.894) 10.717 27.914 ( -0.997 -0.000 -8.829) 8.885 28.632 ( 14.367 0.000 -10.449) 17.765 28.710 ( -4.763 -0.000 -15.243) 15.970 29.978 ( -2.860 -0.000 -8.162) 8.649 30.212 ( 2.412 0.000 8.282) 8.626 30.216 ( 17.283 0.000 -6.268) 18.384 30.590 ( 9.306 0.000 5.356) 10.737 30.974 ( 16.873 0.000 -0.547) 16.882 33.620 ( -4.948 -0.000 9.090) 10.350 34.348 ( -3.661 -0.000 14.396) 14.854 34.997 ( -0.580 -0.000 1.031) 1.183 35.906 ( 11.753 0.000 -0.889) 11.787 36.447 ( 5.956 0.000 23.272) 24.022 40.182 ( -46.709 -0.000 16.919) 49.679 ======================= Grid point 218 (70/126) ======================= q-point: ( 0.25 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( 31.334 0.851 -6.599) 32.033 3.941 ( 8.316 -2.136 17.610) 19.592 4.163 ( -13.628 -4.452 2.589) 14.568 4.324 ( 12.412 0.339 -3.682) 12.951 4.609 ( 23.078 -7.354 5.134) 24.760 4.925 ( 28.982 -0.399 24.924) 38.227 5.620 ( 11.760 -1.689 16.282) 20.156 5.999 ( -5.493 0.499 -2.165) 5.926 6.357 ( 1.247 1.239 6.392) 6.629 6.447 ( 8.137 -0.444 5.912) 10.068 7.193 ( 15.127 -14.378 21.439) 29.920 7.614 ( 7.208 5.584 10.788) 14.125 8.094 ( 3.817 12.415 21.328) 24.972 8.265 ( -11.049 -4.826 1.427) 12.141 8.695 ( 2.305 -11.170 5.011) 12.458 8.886 ( -10.730 1.864 -11.330) 15.715 9.356 ( -7.949 -7.346 -2.400) 11.086 9.388 ( 7.224 1.025 -14.991) 16.672 10.232 ( 2.252 12.009 -5.873) 13.556 10.696 ( -5.333 -1.077 -7.902) 9.594 10.804 ( -5.781 -5.324 -8.638) 11.678 11.436 ( 8.788 5.817 3.446) 11.088 11.491 ( 3.448 -3.683 -0.992) 5.142 12.002 ( 9.857 11.635 -6.541) 16.593 12.324 ( -5.535 -0.091 -3.450) 6.523 12.527 ( -4.922 6.291 -4.745) 9.291 12.808 ( -14.872 2.676 -8.630) 17.401 13.195 ( 19.353 -17.183 3.263) 26.085 13.371 ( 17.716 -6.689 0.951) 18.960 13.799 ( 1.328 -15.387 1.343) 15.503 13.936 ( -17.282 9.323 -18.550) 27.013 14.943 ( -36.770 3.917 7.133) 37.659 15.296 ( -8.593 10.827 4.799) 14.632 15.471 ( 0.432 -1.615 16.366) 16.451 16.259 ( -1.299 -0.243 1.550) 2.037 16.636 ( 26.300 6.026 -9.558) 28.625 17.174 ( -22.214 -2.499 -6.618) 23.313 17.727 ( -11.190 1.734 1.887) 11.480 17.751 ( 6.055 6.080 1.785) 8.764 18.050 ( -3.978 -1.310 -4.446) 6.108 18.576 ( -4.267 13.390 3.418) 14.463 18.831 ( 2.385 4.132 0.026) 4.771 19.169 ( 25.955 0.704 0.943) 25.982 19.349 ( -12.578 -10.890 -3.489) 16.999 19.761 ( -2.382 -18.792 5.775) 19.803 20.950 ( -16.248 -2.991 -1.673) 16.605 21.410 ( -14.474 -1.952 -12.506) 19.228 22.161 ( 6.717 30.494 -3.224) 31.391 22.692 ( 3.307 -14.678 -0.229) 15.048 23.122 ( 5.909 6.618 -9.065) 12.684 23.201 ( 3.205 -0.551 -7.689) 8.348 23.415 ( 3.810 -0.844 -6.100) 7.241 23.619 ( -4.478 -2.833 -6.212) 8.165 23.950 ( 14.478 5.402 2.881) 15.719 24.293 ( -12.952 -7.294 -0.060) 14.864 24.945 ( -9.920 7.831 4.508) 13.419 26.896 ( 19.059 -5.439 -10.490) 22.425 27.615 ( -3.516 -4.125 -6.844) 8.730 27.956 ( 1.078 -5.815 -8.862) 10.655 28.584 ( 0.452 10.301 -13.752) 17.188 28.933 ( 12.451 -9.830 -9.804) 18.649 29.851 ( -9.936 3.420 -8.895) 13.767 30.257 ( 0.528 -4.359 6.095) 7.512 30.528 ( 14.768 -8.925 -7.415) 18.781 30.711 ( 8.477 3.510 3.453) 9.803 31.310 ( 23.815 2.230 -3.885) 24.233 33.551 ( -6.121 -4.403 8.073) 11.047 34.236 ( -7.792 3.303 10.992) 13.872 35.014 ( -0.638 -4.356 1.102) 4.538 36.008 ( 13.520 20.275 5.579) 25.000 36.707 ( 13.870 -21.615 23.750) 34.981 39.336 ( -50.202 11.309 26.168) 57.731 ======================= Grid point 219 (71/126) ======================= q-point: ( 0.38 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.750 ( 2.819 1.081 1.480) 3.363 3.794 ( 0.301 4.346 1.409) 4.579 4.214 ( 1.619 -7.809 5.364) 9.611 4.503 ( 12.663 4.766 -3.674) 14.020 4.981 ( 14.148 -4.079 6.427) 16.066 5.285 ( 17.090 7.828 10.853) 21.706 5.791 ( 9.514 -1.840 14.675) 17.585 5.947 ( 1.283 2.815 16.057) 16.352 6.355 ( 1.247 -0.276 1.671) 2.103 6.516 ( 3.707 6.648 8.537) 11.438 7.547 ( 1.301 1.118 3.868) 4.231 7.702 ( 10.183 -11.230 14.634) 21.070 8.103 ( -13.976 -7.381 0.465) 15.812 8.110 ( 13.110 6.560 35.404) 38.319 8.685 ( -11.258 0.223 -3.919) 11.923 8.861 ( 4.543 -4.959 7.227) 9.872 9.267 ( -10.545 -7.771 -1.524) 13.188 9.504 ( 8.606 1.718 -13.340) 15.968 10.242 ( 9.038 6.125 -6.201) 12.556 10.690 ( -3.243 -10.739 -2.880) 11.582 10.736 ( -1.728 8.277 -14.350) 16.655 11.381 ( -0.545 16.050 -3.621) 16.463 11.587 ( 1.359 -5.492 -5.599) 7.960 11.951 ( 4.093 7.823 -6.179) 10.777 12.335 ( -9.968 7.568 -2.326) 12.730 12.457 ( 12.217 4.918 -0.668) 13.187 12.566 ( -11.327 -14.650 -16.359) 24.709 13.403 ( -5.145 4.237 -5.523) 8.656 13.662 ( -4.458 -11.113 -8.885) 14.910 13.996 ( 30.750 -11.633 5.496) 33.333 14.060 ( 7.592 -10.449 2.274) 13.115 14.401 ( -23.371 -7.600 2.538) 24.706 14.962 ( -11.238 19.224 4.595) 22.737 15.404 ( -2.015 11.006 7.612) 13.532 16.251 ( -8.531 -8.054 2.297) 11.955 16.799 ( -24.783 -7.018 -0.835) 25.771 17.027 ( 27.483 9.056 -5.306) 29.419 17.538 ( -9.471 1.329 2.590) 9.908 17.801 ( 10.011 12.925 2.884) 16.601 17.986 ( -0.661 5.694 0.792) 5.787 18.396 ( -5.503 -0.767 1.178) 5.680 18.759 ( -1.908 7.433 0.486) 7.689 19.276 ( -11.844 -8.722 -1.703) 14.808 19.525 ( 20.175 3.637 1.042) 20.527 20.024 ( 1.127 -31.154 3.103) 31.329 20.761 ( -12.841 -4.924 -2.343) 13.951 21.181 ( -17.717 -3.834 -12.526) 22.034 22.017 ( 15.222 28.231 -5.684) 32.573 22.779 ( -3.478 -0.451 -5.561) 6.574 22.996 ( -6.373 9.488 -7.763) 13.817 23.312 ( 4.745 -7.862 0.230) 9.186 23.426 ( -8.188 1.163 -10.414) 13.298 23.512 ( -14.945 -14.039 -1.200) 20.540 24.048 ( 2.572 4.693 4.582) 7.045 24.300 ( 7.091 -5.786 -0.940) 9.201 24.755 ( -1.572 9.201 1.333) 9.429 27.269 ( 19.382 -3.862 -12.776) 23.533 27.610 ( 1.641 3.036 -6.335) 7.214 28.027 ( -0.245 -4.908 -10.215) 11.336 28.529 ( 7.948 10.377 -13.457) 18.761 29.235 ( 12.572 -9.581 -8.357) 17.880 29.618 ( -12.935 5.669 -9.505) 17.024 30.304 ( -4.172 -8.798 3.732) 10.428 30.693 ( -1.351 -0.774 5.202) 5.430 30.917 ( 16.377 -4.081 -11.993) 20.705 31.552 ( 14.990 14.006 -6.676) 21.574 33.554 ( -4.101 -12.233 8.693) 15.558 34.059 ( -8.151 4.555 7.343) 11.879 35.065 ( -1.706 -8.743 1.025) 8.967 35.926 ( 9.943 27.931 9.316) 31.077 37.310 ( 24.387 -32.497 25.631) 48.039 38.439 ( -43.242 16.133 29.775) 54.924 ======================= Grid point 220 (72/126) ======================= q-point: (-0.50 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( -21.571 2.436 1.518) 21.761 4.024 ( 13.780 2.162 3.460) 14.371 4.264 ( -1.910 -2.305 1.726) 3.456 4.596 ( 9.545 10.981 -0.752) 14.569 5.079 ( -4.689 6.395 9.173) 12.126 5.255 ( 1.170 14.104 7.643) 16.085 5.936 ( 6.870 9.916 10.640) 16.085 6.044 ( 16.174 -2.527 8.925) 18.645 6.277 ( -7.482 9.053 10.023) 15.440 6.532 ( 7.293 3.939 5.912) 10.181 7.532 ( -5.168 -7.394 16.800) 19.069 7.625 ( -10.249 10.990 8.020) 17.034 8.024 ( -7.023 2.743 15.673) 17.392 8.342 ( 5.854 -2.562 0.076) 6.391 8.658 ( 3.752 -13.770 19.489) 24.156 8.920 ( 4.748 1.975 11.571) 12.662 9.251 ( -2.299 -6.221 -12.050) 13.754 9.608 ( 6.332 1.981 -6.885) 9.561 10.245 ( -5.481 6.258 -4.134) 9.289 10.645 ( 10.064 12.008 -17.329) 23.362 10.814 ( -1.237 -17.169 -2.169) 17.349 11.178 ( -1.246 16.149 -9.352) 18.704 11.580 ( -8.265 -1.304 -10.868) 13.715 11.928 ( 2.151 7.843 0.936) 8.186 12.123 ( -8.387 -2.047 -1.697) 8.798 12.513 ( 3.801 4.466 -0.928) 5.938 12.811 ( 6.215 -22.792 -20.295) 31.145 13.240 ( 6.297 10.934 -4.342) 13.344 13.587 ( -19.919 3.144 -8.191) 21.765 14.074 ( -2.462 -19.089 8.122) 20.890 14.456 ( 6.298 -10.894 4.985) 13.534 14.501 ( 2.276 12.350 3.377) 13.004 14.930 ( 32.046 -13.393 -4.266) 34.993 15.206 ( -2.338 16.831 2.829) 17.226 16.074 ( -22.553 -6.552 -3.764) 23.785 16.599 ( -19.851 -23.340 7.114) 31.455 17.161 ( 1.138 30.796 5.033) 31.225 17.438 ( 10.528 0.167 -2.547) 10.833 17.852 ( 8.138 -2.017 5.713) 10.146 18.023 ( 11.524 5.736 1.511) 12.961 18.404 ( -3.128 -9.111 0.408) 9.642 18.647 ( -3.188 4.773 0.369) 5.752 19.100 ( -17.673 -1.651 0.658) 17.762 19.737 ( 14.389 6.992 0.550) 16.007 20.435 ( 6.781 -33.691 1.176) 34.386 20.648 ( -6.190 -0.216 -1.730) 6.431 20.970 ( -16.162 -9.189 -13.148) 22.771 22.025 ( 19.312 22.838 -7.718) 30.888 22.639 ( -13.916 -4.331 -9.500) 17.398 22.795 ( -11.354 3.580 -8.015) 14.352 23.167 ( -22.489 -4.565 -4.883) 23.461 23.388 ( -3.411 -4.189 -2.520) 5.961 23.554 ( -0.430 -12.330 4.493) 13.130 23.993 ( -3.578 3.008 6.885) 8.322 24.517 ( 11.295 -1.381 -2.294) 11.608 24.712 ( 8.924 8.021 -1.442) 12.085 27.441 ( 1.851 9.668 -6.402) 11.742 27.688 ( 18.211 6.318 -10.406) 21.905 28.065 ( -1.292 -6.407 -11.983) 13.649 28.618 ( 17.483 11.864 -13.214) 24.920 29.339 ( -13.283 6.532 -10.389) 18.084 29.529 ( 11.175 -9.369 -7.411) 16.358 30.289 ( -10.771 -9.367 1.584) 14.362 30.625 ( -3.951 4.140 4.825) 7.486 31.121 ( 2.891 -0.751 -11.802) 12.175 31.466 ( 3.378 26.052 -6.906) 27.163 33.633 ( -6.548 -13.215 11.821) 18.901 33.958 ( 1.347 -0.458 2.844) 3.180 35.148 ( -2.825 -13.469 0.791) 13.784 35.748 ( 6.350 28.747 9.825) 31.036 37.643 ( -31.423 14.613 29.289) 45.374 38.157 ( 30.811 -36.412 26.480) 54.556 ======================= Grid point 221 (73/126) ======================= q-point: (-0.38 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -21.626 5.702 0.026) 22.365 4.119 ( -1.974 0.641 1.394) 2.500 4.232 ( 2.673 8.532 9.054) 12.724 4.575 ( 2.410 11.208 9.540) 14.914 4.744 ( -14.716 15.428 16.976) 27.253 5.053 ( -3.632 25.645 -3.131) 26.090 5.955 ( 8.935 14.172 8.142) 18.627 6.050 ( -1.613 10.158 8.564) 13.384 6.300 ( 10.149 -1.544 5.018) 11.426 6.536 ( 0.306 9.345 0.261) 9.353 7.367 ( -7.751 3.435 3.640) 9.227 7.551 ( -6.839 -9.980 28.652) 31.102 7.761 ( -8.617 19.448 30.808) 37.438 8.356 ( -1.900 0.387 -3.397) 3.912 8.814 ( -2.660 -8.400 -4.758) 10.014 9.116 ( 14.439 -5.107 16.117) 22.233 9.292 ( 2.698 -1.005 -14.093) 14.384 9.645 ( 2.658 2.516 2.375) 4.363 10.015 ( -8.810 8.239 -18.096) 21.748 10.774 ( 10.117 1.317 -17.127) 19.936 10.966 ( -3.397 -15.807 2.742) 16.399 11.030 ( 2.396 10.571 -7.286) 13.060 11.441 ( -9.737 -3.536 -4.542) 11.311 11.825 ( -0.894 9.961 5.558) 11.442 12.144 ( -1.217 -10.415 -5.049) 11.638 12.378 ( -9.635 6.771 7.428) 13.923 13.068 ( -6.919 -0.426 -19.972) 21.141 13.359 ( 3.348 -14.969 -16.549) 22.565 13.443 ( 24.355 6.226 -4.516) 25.541 14.022 ( -6.423 15.690 5.151) 17.719 14.420 ( 5.760 -3.224 6.610) 9.342 14.794 ( 0.785 -16.381 2.992) 16.670 15.063 ( 5.734 3.672 -0.214) 6.812 15.574 ( 7.837 -15.780 -12.023) 21.330 15.851 ( 5.186 -3.830 2.886) 7.063 16.604 ( -13.578 -12.663 7.665) 20.087 16.765 ( -9.511 5.135 6.934) 12.842 17.631 ( 10.445 2.438 -3.925) 11.421 18.025 ( 6.780 -4.131 5.853) 9.864 18.183 ( 14.294 4.111 2.782) 15.132 18.412 ( -7.904 -5.135 -0.056) 9.426 18.586 ( -3.799 -4.247 0.960) 5.779 18.793 ( -16.524 4.400 1.719) 17.186 19.851 ( 12.191 9.479 0.024) 15.442 20.500 ( -2.853 16.010 -0.508) 16.270 20.903 ( -4.899 -29.668 -7.605) 31.016 20.978 ( 8.991 -24.670 -4.672) 26.670 22.101 ( 16.091 16.919 -9.307) 25.136 22.494 ( -16.010 -10.701 -9.580) 21.508 22.555 ( -18.304 -5.149 -9.154) 21.103 22.876 ( -21.225 -7.811 -4.453) 23.051 23.390 ( -1.052 -3.911 1.459) 4.305 23.640 ( -1.159 -4.068 4.255) 6.000 23.867 ( -4.624 8.432 8.171) 12.619 24.631 ( 4.672 0.167 -3.366) 5.761 24.863 ( 13.951 2.802 -1.479) 14.306 27.264 ( 0.063 21.972 -4.931) 22.518 27.900 ( 14.857 6.527 -8.880) 18.498 28.151 ( 3.396 -6.825 -12.629) 14.752 28.790 ( 22.446 16.783 -14.579) 31.592 29.069 ( -11.490 6.852 -11.864) 17.880 29.776 ( 7.492 -8.026 -6.342) 12.679 30.154 ( -15.737 -5.231 0.206) 16.584 30.492 ( -7.320 4.419 3.511) 9.243 30.972 ( -10.557 14.294 -5.881) 18.718 31.198 ( -2.716 22.757 -5.422) 23.552 33.641 ( -3.977 -7.960 8.292) 12.163 34.080 ( 5.178 -7.070 7.939) 11.825 35.261 ( -3.240 -16.487 -0.887) 16.825 35.529 ( 3.100 25.539 8.544) 27.109 37.075 ( -18.936 15.650 26.091) 35.836 39.096 ( 31.915 -43.007 24.071) 58.716 ======================= Grid point 222 (74/126) ======================= q-point: (-0.25 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -17.235 14.469 -0.820) 22.518 3.967 ( -11.596 4.931 13.621) 18.555 4.113 ( 1.961 19.588 15.138) 24.834 4.271 ( -12.679 17.717 25.458) 33.508 4.603 ( -2.702 23.569 -1.886) 23.799 4.635 ( 1.866 17.582 -0.176) 17.681 5.852 ( 5.278 20.907 19.935) 29.367 6.011 ( -0.539 2.637 -7.577) 8.041 6.376 ( 1.157 10.498 -3.548) 11.141 6.390 ( -1.276 6.147 0.808) 6.330 7.284 ( -1.701 2.509 5.042) 5.883 7.423 ( -3.742 14.301 49.581) 51.737 7.600 ( -5.320 -14.137 17.296) 22.963 8.306 ( -2.209 1.757 -0.475) 2.862 8.834 ( -3.868 -7.179 -16.013) 17.969 9.312 ( 11.406 7.543 -0.525) 13.685 9.346 ( 3.900 1.806 -13.916) 14.565 9.616 ( -5.551 9.704 0.489) 11.190 9.936 ( 1.475 -15.173 -9.841) 18.145 10.842 ( 2.654 1.842 -19.800) 20.062 11.014 ( -3.444 -6.680 0.844) 7.563 11.089 ( 5.082 -4.285 -3.184) 7.371 11.342 ( -8.315 -2.528 4.437) 9.758 11.757 ( 1.918 3.700 11.187) 11.938 12.142 ( -10.713 4.089 14.422) 18.426 12.239 ( -1.077 -6.997 -3.950) 8.107 12.870 ( -2.404 8.752 -22.193) 23.978 13.535 ( -0.267 11.039 -6.516) 12.821 13.746 ( 18.949 2.319 -3.191) 19.355 13.990 ( 6.017 -15.720 -13.300) 21.452 14.411 ( 7.104 18.749 -0.990) 20.075 14.963 ( 0.610 -17.579 5.597) 18.459 15.194 ( -2.326 -7.729 1.509) 8.212 15.454 ( -17.012 -13.583 -4.050) 22.143 16.225 ( 8.883 12.019 10.377) 18.194 16.523 ( 14.791 -17.975 -6.460) 24.158 16.957 ( 2.583 -30.002 2.750) 30.239 17.669 ( 3.435 9.781 -6.749) 12.370 18.015 ( -21.859 -5.473 5.161) 23.118 18.309 ( 3.904 -5.459 5.065) 8.408 18.368 ( 9.666 7.224 0.917) 12.102 18.579 ( -6.254 -6.559 3.099) 9.578 18.591 ( -4.168 3.903 -2.392) 6.191 19.937 ( 11.464 9.397 0.528) 14.833 20.248 ( -3.800 19.714 -0.148) 20.078 21.097 ( -4.503 -28.787 -7.468) 30.079 21.520 ( 22.880 -15.788 -1.786) 27.855 22.113 ( 3.200 13.669 -11.088) 17.890 22.329 ( -18.550 -20.175 -3.264) 27.601 22.381 ( -15.767 -7.237 -13.300) 21.860 22.727 ( -8.509 -9.353 -3.445) 13.106 23.436 ( 2.114 -2.518 2.497) 4.128 23.603 ( -3.761 2.358 5.932) 7.409 23.676 ( -4.840 12.890 6.064) 15.045 24.696 ( 2.364 -1.743 -0.224) 2.946 25.020 ( 7.633 0.678 -1.491) 7.806 27.028 ( 1.042 22.060 -3.198) 22.315 28.004 ( 6.887 5.184 -8.228) 11.917 28.284 ( 6.861 -0.190 -11.790) 13.642 28.798 ( -1.117 22.318 -16.676) 27.882 28.946 ( 12.381 12.808 -15.700) 23.745 29.880 ( -5.889 -3.989 -3.753) 8.043 29.966 ( -8.344 -1.283 -1.369) 8.553 30.306 ( -7.691 5.746 5.134) 10.887 30.626 ( -10.411 12.153 -0.696) 16.018 30.945 ( -2.133 14.893 -0.510) 15.053 33.691 ( 0.351 -5.077 6.088) 7.935 34.211 ( 1.932 -6.491 14.612) 16.105 35.311 ( 1.110 18.653 5.604) 19.508 35.401 ( -2.356 -15.840 -3.235) 16.337 36.712 ( -7.539 14.115 23.166) 28.156 40.007 ( 22.342 -43.755 16.374) 51.786 ======================= Grid point 223 (75/126) ======================= q-point: (-0.12 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -0.000 22.845 -2.858) 23.023 3.777 ( -0.000 8.169 32.235) 33.254 3.828 ( -0.000 31.945 29.991) 43.817 4.020 ( -0.000 10.567 6.099) 12.201 4.203 ( -0.000 26.349 -0.512) 26.354 4.662 ( 0.000 -1.616 0.869) 1.834 5.655 ( -0.000 23.757 11.216) 26.272 5.978 ( 0.000 -0.691 -2.659) 2.747 6.262 ( -0.000 7.831 -25.060) 26.255 6.321 ( -0.000 6.099 28.112) 28.766 7.257 ( -0.000 1.422 6.725) 6.874 7.281 ( -0.000 7.246 45.623) 46.195 7.754 ( 0.000 -20.660 11.861) 23.823 8.269 ( -0.000 1.411 -0.481) 1.491 8.870 ( 0.000 -5.574 -18.636) 19.451 9.249 ( -0.000 27.868 -0.567) 27.873 9.375 ( 0.000 -0.317 -15.299) 15.302 9.420 ( -0.000 4.258 -13.138) 13.811 10.240 ( 0.000 -30.209 -0.056) 30.209 10.860 ( -0.000 0.041 -16.872) 16.872 11.038 ( 0.000 -4.273 -0.007) 4.273 11.188 ( 0.000 -4.249 -2.744) 5.058 11.265 ( -0.000 0.082 4.297) 4.297 11.733 ( -0.000 11.751 10.783) 15.949 11.934 ( -0.000 8.325 17.109) 19.027 12.352 ( 0.000 -16.134 1.482) 16.202 12.831 ( 0.000 -0.983 -21.222) 21.245 13.363 ( -0.000 14.387 -3.513) 14.810 13.911 ( -0.000 0.295 -2.032) 2.053 13.976 ( -0.000 27.737 -0.621) 27.744 14.506 ( 0.000 -18.034 -30.482) 35.417 15.099 ( 0.000 -1.515 18.021) 18.085 15.195 ( 0.000 -15.077 -0.361) 15.081 15.489 ( 0.000 -11.992 0.253) 11.994 16.221 ( 0.000 -2.461 5.078) 5.643 16.973 ( 0.000 -24.517 -10.390) 26.628 17.313 ( 0.000 -21.719 -4.358) 22.152 17.588 ( -0.000 9.523 -9.217) 13.253 17.746 ( 0.000 -1.131 7.198) 7.287 18.371 ( -0.000 11.199 2.018) 11.379 18.461 ( 0.000 -7.646 4.324) 8.785 18.514 ( -0.000 2.770 -8.436) 8.879 18.551 ( 0.000 -4.955 6.468) 8.148 19.980 ( -0.000 6.591 0.777) 6.637 19.988 ( -0.000 18.031 2.550) 18.210 21.343 ( 0.000 -20.471 -3.144) 20.711 21.823 ( -0.000 5.869 -4.677) 7.505 21.990 ( -0.000 0.376 -13.704) 13.709 22.246 ( 0.000 -3.854 -3.122) 4.959 22.490 ( 0.000 -30.114 -4.203) 30.405 22.748 ( 0.000 -3.765 -4.181) 5.626 23.431 ( -0.000 18.611 4.547) 19.158 23.505 ( 0.000 -2.739 2.680) 3.832 23.547 ( -0.000 1.330 5.224) 5.391 24.729 ( -0.000 0.248 4.445) 4.452 25.090 ( 0.000 -3.799 -0.573) 3.842 26.851 ( -0.000 12.772 -0.833) 12.799 28.013 ( -0.000 4.246 -8.063) 9.113 28.335 ( -0.000 1.921 -11.674) 11.831 28.458 ( -0.000 37.484 -15.432) 40.536 28.915 ( -0.000 9.739 -18.769) 21.145 29.822 ( 0.000 -3.068 -0.381) 3.091 29.904 ( -0.000 0.237 -0.797) 0.831 30.200 ( -0.000 3.710 7.662) 8.513 30.466 ( -0.000 4.807 0.681) 4.855 30.820 ( -0.000 6.010 1.085) 6.107 33.725 ( -0.000 0.038 7.164) 7.164 34.291 ( 0.000 -6.493 18.302) 19.420 35.149 ( -0.000 12.706 2.610) 12.971 35.548 ( 0.000 -14.529 -5.059) 15.385 36.517 ( -0.000 12.311 21.724) 24.970 40.631 ( 0.000 -35.618 7.643) 36.429 ======================= Grid point 226 (76/126) ======================= q-point: ( 0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( 1.332 0.000 1.699) 2.159 3.871 ( -0.598 -0.000 -2.591) 2.659 4.100 ( 7.682 0.000 10.410) 12.938 4.559 ( 15.889 0.000 -8.178) 17.870 4.935 ( 19.284 0.000 9.818) 21.639 5.374 ( 28.184 0.000 16.334) 32.575 5.770 ( -4.118 -0.000 7.791) 8.812 6.018 ( 17.349 0.000 25.690) 31.000 6.344 ( -1.867 -0.000 -2.019) 2.750 6.596 ( 9.496 0.000 8.966) 13.060 7.428 ( 23.168 0.000 8.869) 24.808 7.768 ( 5.423 0.000 2.185) 5.847 7.828 ( -26.672 -0.000 15.510) 30.854 8.333 ( 10.292 0.000 27.527) 29.388 8.702 ( -12.589 -0.000 -7.791) 14.805 8.740 ( 4.870 0.000 5.472) 7.325 9.134 ( -10.821 -0.000 -4.379) 11.673 9.540 ( 8.945 0.000 -16.079) 18.400 10.377 ( 6.429 0.000 -5.114) 8.215 10.644 ( -2.766 -0.000 12.872) 13.166 10.691 ( -0.275 -0.000 -24.852) 24.853 11.529 ( 3.469 0.000 -7.691) 8.437 11.595 ( 5.612 0.000 1.307) 5.762 12.058 ( -13.576 -0.000 -10.330) 17.059 12.291 ( 5.852 0.000 -18.128) 19.049 12.485 ( -0.253 -0.000 3.969) 3.977 12.697 ( -6.637 -0.000 -3.086) 7.320 13.140 ( 1.108 0.000 -4.161) 4.306 13.720 ( -15.332 -0.000 -14.254) 20.934 13.745 ( 8.084 0.000 7.157) 10.797 13.978 ( 42.762 0.000 2.376) 42.828 14.359 ( -35.744 -0.000 3.001) 35.870 15.237 ( -8.423 -0.000 2.585) 8.810 15.423 ( -6.483 -0.000 18.342) 19.455 16.235 ( -0.019 -0.000 -2.163) 2.163 16.700 ( -33.817 -0.000 -1.190) 33.838 17.156 ( 32.641 0.000 -5.829) 33.157 17.450 ( -15.877 -0.000 4.363) 16.465 17.967 ( 10.100 0.000 1.405) 10.197 18.054 ( 3.698 0.000 -5.555) 6.673 18.640 ( -3.964 -0.000 4.288) 5.840 18.841 ( -1.755 -0.000 -1.934) 2.612 19.025 ( -15.508 -0.000 -3.186) 15.832 19.564 ( 19.215 0.000 1.220) 19.254 19.619 ( 0.293 0.000 7.105) 7.111 20.671 ( -16.799 -0.000 -5.098) 17.556 21.153 ( -15.218 -0.000 -10.217) 18.330 22.500 ( 4.457 0.000 -3.132) 5.448 22.665 ( 12.640 0.000 -0.630) 12.656 23.145 ( -5.802 -0.000 0.233) 5.806 23.157 ( -12.232 -0.000 -8.258) 14.758 23.325 ( -7.713 -0.000 -5.316) 9.367 23.457 ( -14.404 -0.000 -14.485) 20.428 24.069 ( -8.840 -0.000 1.408) 8.951 24.264 ( 19.361 0.000 2.727) 19.553 24.860 ( -3.804 -0.000 2.297) 4.444 27.246 ( 25.257 0.000 -17.065) 30.482 27.582 ( 1.607 0.000 -6.154) 6.360 28.028 ( 9.437 0.000 -5.873) 11.115 28.651 ( 2.431 0.000 -14.364) 14.568 29.114 ( 15.918 0.000 -7.421) 17.563 29.681 ( -13.740 -0.000 -9.734) 16.839 30.203 ( -3.931 -0.000 4.754) 6.169 30.618 ( 4.033 0.000 0.403) 4.053 30.933 ( 14.650 0.000 -7.789) 16.592 31.717 ( 23.982 0.000 -6.070) 24.738 33.409 ( -7.958 -0.000 7.988) 11.276 34.087 ( -12.172 -0.000 6.763) 13.924 34.989 ( -0.337 -0.000 0.206) 0.395 36.472 ( 22.514 0.000 9.950) 24.615 36.711 ( 10.066 0.000 26.782) 28.612 38.616 ( -46.635 -0.000 30.060) 55.484 ======================= Grid point 227 (77/126) ======================= q-point: ( 0.38 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( -21.443 1.068 2.968) 21.673 4.083 ( 13.216 3.099 2.157) 13.745 4.195 ( 2.359 -3.517 3.039) 5.213 4.786 ( 15.368 5.562 -9.351) 18.829 5.148 ( 7.690 0.409 8.047) 11.138 5.509 ( -9.871 10.052 18.194) 23.010 5.857 ( 15.801 -10.232 9.231) 20.966 6.237 ( 12.838 15.084 8.603) 21.595 6.444 ( 16.107 -0.742 10.899) 19.462 6.699 ( 8.422 10.164 8.845) 15.889 7.431 ( -16.098 -1.400 20.645) 26.217 7.799 ( 6.361 0.341 5.669) 8.527 7.862 ( 4.968 -11.933 -5.306) 13.972 8.389 ( 5.232 12.689 30.074) 33.058 8.517 ( -9.091 -0.403 1.016) 9.157 8.787 ( -4.764 -14.528 13.828) 20.615 9.126 ( 4.586 -4.112 -12.346) 13.797 9.643 ( 5.743 2.488 -14.949) 16.206 10.444 ( 4.062 1.889 1.544) 4.739 10.573 ( -1.174 3.558 5.535) 6.684 10.798 ( 6.161 -2.405 -18.898) 20.022 11.500 ( -3.628 12.437 -5.251) 13.979 11.614 ( 3.407 2.042 -14.655) 15.184 11.934 ( -6.745 -2.078 -10.192) 12.397 12.280 ( -6.713 -13.668 -15.220) 21.530 12.365 ( -4.177 16.643 2.702) 17.370 12.743 ( 13.287 6.799 -3.097) 15.244 13.272 ( -0.497 -14.545 -1.495) 14.630 13.513 ( -6.142 -1.655 -7.918) 10.157 13.867 ( -16.746 0.161 -1.313) 16.798 13.973 ( 3.346 -15.493 5.063) 16.639 14.682 ( 36.722 -6.321 -0.359) 37.264 15.008 ( -7.239 16.787 4.392) 18.801 15.318 ( -8.288 -4.298 8.619) 12.707 16.154 ( -17.428 4.361 -1.351) 18.016 16.234 ( -17.823 -4.792 3.745) 18.832 17.291 ( -8.318 -9.226 7.239) 14.377 17.627 ( 29.166 7.752 -3.655) 30.399 18.071 ( 1.588 11.351 -0.195) 11.463 18.115 ( 10.680 2.568 0.371) 10.991 18.376 ( -5.566 16.867 1.702) 17.843 18.709 ( -11.964 1.748 1.872) 12.236 18.989 ( -9.183 -14.445 -3.405) 17.452 19.694 ( -0.025 -21.666 5.771) 22.421 19.870 ( 15.646 0.044 1.520) 15.720 20.448 ( -15.808 -8.033 -10.434) 20.574 20.956 ( -9.424 0.622 -5.984) 11.181 22.486 ( 9.623 15.302 -7.467) 19.558 22.678 ( -13.632 8.850 -3.713) 16.672 22.879 ( -15.840 2.309 -6.244) 17.182 23.018 ( -24.014 -10.726 -1.733) 26.357 23.289 ( -4.108 -3.996 -3.621) 6.779 23.302 ( 3.167 -8.056 -4.764) 9.881 23.981 ( -4.167 -1.330 2.190) 4.892 24.552 ( 17.538 2.070 2.523) 17.839 24.843 ( 3.792 3.460 -1.317) 5.300 27.564 ( 13.215 5.176 -10.773) 17.818 27.697 ( 12.541 -6.281 -12.305) 18.658 28.154 ( 10.776 9.810 -5.404) 15.542 28.742 ( 11.016 -0.052 -14.086) 17.882 29.379 ( 14.240 -2.968 -5.641) 15.601 29.436 ( -15.091 1.898 -10.735) 18.616 30.134 ( -7.892 -4.173 2.393) 9.242 30.638 ( -3.129 -1.218 4.638) 5.726 31.141 ( 11.754 1.540 -14.932) 19.066 31.965 ( 15.460 16.236 -7.288) 23.574 33.341 ( -6.789 -10.513 9.089) 15.467 33.903 ( -11.408 -3.358 2.764) 12.209 34.992 ( -0.824 -2.311 -0.292) 2.471 36.446 ( 12.132 36.191 17.627) 42.044 37.263 ( 17.660 -39.140 24.669) 49.521 37.937 ( -32.966 5.193 29.319) 44.422 ======================= Grid point 228 (78/126) ======================= q-point: (-0.50 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( -19.006 2.288 2.743) 19.339 4.139 ( -1.934 1.348 2.184) 3.214 4.298 ( 7.402 -0.056 4.967) 8.914 4.881 ( 7.156 14.055 0.570) 15.782 5.045 ( -10.873 12.041 14.457) 21.730 5.331 ( -2.173 1.033 5.498) 6.001 6.110 ( 4.434 -4.396 5.742) 8.482 6.274 ( 12.067 14.044 -6.088) 19.491 6.559 ( 14.405 23.235 10.264) 29.202 6.745 ( 12.362 8.500 18.128) 23.530 7.358 ( -3.825 -7.912 18.981) 20.916 7.602 ( -10.414 16.731 5.834) 20.553 7.993 ( -2.294 2.421 15.816) 16.163 8.342 ( -0.887 -1.324 -3.765) 4.088 8.544 ( -0.519 -13.895 10.869) 17.649 8.931 ( 4.877 -12.620 25.572) 28.931 9.252 ( 5.493 -2.430 -13.386) 14.672 9.679 ( 1.923 1.898 -11.814) 12.119 10.339 ( -3.255 21.732 2.479) 22.113 10.610 ( -2.240 -15.395 1.432) 15.623 10.891 ( 8.217 4.322 -18.877) 21.037 11.305 ( -1.994 11.054 -5.747) 12.617 11.540 ( -3.925 15.134 -19.996) 25.383 11.872 ( -4.398 -11.482 -2.716) 12.592 12.118 ( -4.002 15.267 2.256) 15.943 12.472 ( 0.752 -9.670 -3.635) 10.358 12.756 ( 0.800 -4.517 -13.699) 14.446 13.345 ( -1.751 1.522 -8.505) 8.816 13.577 ( 12.227 3.904 -8.306) 15.288 13.790 ( -2.591 -23.400 1.878) 23.618 14.327 ( 8.906 -22.181 5.914) 24.623 14.683 ( -6.814 18.051 3.339) 19.581 14.963 ( -16.067 -13.963 -0.616) 21.296 15.513 ( 30.225 3.814 -2.529) 30.569 15.858 ( -16.001 -4.973 3.333) 17.084 16.093 ( -4.117 -4.401 6.472) 8.843 17.295 ( -6.672 3.694 3.860) 8.547 17.620 ( 0.696 20.652 8.397) 22.304 18.067 ( 13.815 6.016 -1.249) 15.120 18.235 ( 2.507 -0.988 2.231) 3.499 18.337 ( 7.834 0.685 -0.535) 7.882 18.487 ( -15.911 -4.198 3.236) 16.771 18.901 ( -8.611 2.317 -1.164) 8.993 19.992 ( 10.492 -6.157 1.714) 12.285 20.140 ( 5.718 -29.246 2.253) 29.885 20.382 ( -9.336 -18.262 -13.127) 24.351 20.821 ( -5.153 5.177 -4.142) 8.397 22.339 ( -18.403 -0.469 -5.722) 19.277 22.463 ( 1.149 12.238 -7.148) 14.220 22.612 ( -8.433 5.247 -9.549) 13.778 22.685 ( -25.132 -6.610 -3.634) 26.240 23.289 ( -1.826 -4.486 -0.137) 4.845 23.517 ( 7.031 -7.721 2.604) 10.762 23.934 ( -3.456 -0.158 3.916) 5.225 24.722 ( 8.954 6.699 -1.850) 11.335 24.923 ( 10.150 1.641 -1.055) 10.336 27.622 ( 5.691 9.253 -5.313) 12.093 28.001 ( 15.780 -4.303 -14.545) 21.888 28.161 ( 9.723 16.293 -7.223) 20.302 28.971 ( 13.983 0.383 -10.936) 17.756 29.181 ( -10.534 2.266 -14.294) 17.901 29.624 ( 10.675 -4.521 -4.061) 12.284 30.036 ( -10.634 -4.744 0.229) 11.646 30.546 ( -8.103 0.956 5.277) 9.717 31.210 ( 1.599 8.564 -16.112) 18.317 31.843 ( 4.391 32.370 -6.210) 33.251 33.384 ( -6.344 -14.076 11.676) 19.357 33.873 ( -2.419 -12.974 -2.177) 13.375 35.017 ( -1.298 -5.661 -0.172) 5.810 36.194 ( 5.655 36.044 17.738) 40.568 37.331 ( -21.443 7.107 28.021) 35.992 38.135 ( 21.123 -44.706 24.317) 55.101 ======================= Grid point 229 (79/126) ======================= q-point: (-0.38 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -12.388 5.661 2.720) 13.889 4.040 ( -6.956 2.849 5.351) 9.227 4.383 ( 4.749 3.212 9.277) 10.906 4.593 ( -10.703 16.794 28.715) 34.944 4.920 ( 6.636 16.849 -6.269) 19.163 5.220 ( -4.235 13.450 -1.720) 14.205 6.150 ( 2.218 4.281 15.585) 16.314 6.244 ( 6.586 18.156 -15.472) 24.747 6.583 ( 11.263 15.768 0.063) 19.377 6.730 ( 4.323 21.295 13.690) 25.683 7.309 ( -4.403 4.307 8.332) 10.361 7.382 ( -4.273 -4.396 22.463) 23.285 7.837 ( -4.859 14.340 33.910) 37.137 8.340 ( -0.608 1.085 -0.897) 1.534 8.643 ( -3.692 -11.068 -10.225) 15.514 9.210 ( 9.797 -14.716 28.097) 33.196 9.340 ( 2.831 -2.265 -9.687) 10.343 9.651 ( -2.836 2.992 -8.500) 9.446 10.024 ( -5.421 16.267 -12.990) 21.511 10.754 ( -1.975 -15.968 3.935) 16.563 10.978 ( 7.576 3.975 -19.154) 20.978 11.170 ( -0.341 16.106 -17.630) 23.881 11.325 ( -4.778 3.897 3.132) 6.916 11.909 ( -2.523 12.636 6.216) 14.307 11.994 ( -0.544 -14.788 -7.513) 16.596 12.334 ( -6.416 10.712 15.524) 19.923 13.024 ( 3.803 -8.741 -30.194) 31.663 13.275 ( 2.201 -7.746 -19.750) 21.328 13.811 ( 15.136 1.895 -2.799) 15.509 14.003 ( -1.003 -10.409 7.352) 12.783 14.430 ( -0.590 5.023 0.873) 5.133 14.603 ( -5.806 -17.270 1.811) 18.310 14.968 ( -2.085 -19.624 -0.435) 19.740 15.574 ( -0.136 26.278 -7.618) 27.360 15.873 ( -7.233 -37.118 9.076) 38.890 16.403 ( 24.600 -8.633 2.724) 26.213 16.871 ( -8.296 31.054 4.465) 32.452 17.684 ( 2.612 -10.184 8.698) 13.645 17.986 ( -17.328 1.597 3.073) 17.670 18.241 ( 2.351 2.504 3.066) 4.604 18.398 ( -3.912 -6.032 4.425) 8.443 18.495 ( 11.302 3.022 -2.552) 11.974 18.739 ( -4.703 6.749 -0.573) 8.246 20.129 ( 10.485 7.671 0.857) 13.019 20.459 ( -3.751 -22.901 -9.766) 25.178 20.639 ( -3.734 6.922 -3.265) 8.516 20.756 ( 6.580 -45.098 -1.745) 45.609 22.152 ( -11.774 -5.581 -4.559) 13.805 22.225 ( -13.037 3.402 -5.355) 14.499 22.439 ( -13.022 -6.841 -6.126) 15.934 22.549 ( 4.140 9.772 -11.846) 15.904 23.327 ( -0.343 -5.869 0.931) 5.952 23.628 ( 1.832 0.089 5.498) 5.796 23.868 ( -2.708 3.414 7.103) 8.333 24.739 ( 3.692 6.738 -6.511) 10.071 25.062 ( 7.580 1.217 0.131) 7.678 27.533 ( 2.958 20.567 -4.470) 21.254 28.122 ( 4.050 7.750 -9.245) 12.725 28.282 ( 14.772 1.615 -11.377) 18.715 28.908 ( -10.766 -0.485 -11.210) 15.550 29.297 ( 19.035 6.492 -17.899) 26.923 29.774 ( -0.504 -4.885 -1.797) 5.230 29.929 ( -4.792 -1.768 -1.719) 5.389 30.390 ( -8.681 2.089 5.100) 10.282 30.988 ( -8.100 20.202 -11.910) 24.810 31.503 ( 0.156 34.661 -3.859) 34.876 33.457 ( -2.901 -14.606 9.491) 17.659 34.034 ( 1.771 -13.431 0.349) 13.551 35.080 ( -1.266 -10.514 -0.960) 10.634 35.881 ( 1.727 32.592 15.699) 36.217 36.985 ( -9.699 10.907 24.822) 28.795 38.960 ( 15.487 -52.001 22.784) 58.848 ======================= Grid point 230 (80/126) ======================= q-point: (-0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -0.000 11.425 2.337) 11.661 3.920 ( -0.000 5.456 14.395) 15.394 4.320 ( -0.000 17.051 23.090) 28.703 4.364 ( -0.000 10.783 12.947) 16.849 4.792 ( -0.000 16.708 -3.807) 17.137 4.934 ( -0.000 30.751 -1.968) 30.814 6.097 ( -0.000 11.957 26.289) 28.880 6.098 ( -0.000 15.406 -10.498) 18.643 6.476 ( -0.000 13.540 -16.687) 21.490 6.562 ( -0.000 17.449 5.380) 18.259 7.295 ( -0.000 2.007 4.272) 4.719 7.396 ( 0.000 -11.419 27.456) 29.736 7.592 ( -0.000 20.344 46.440) 50.700 8.310 ( -0.000 2.283 0.050) 2.283 8.713 ( 0.000 -8.881 -16.404) 18.654 9.360 ( 0.000 -0.916 -14.606) 14.634 9.509 ( 0.000 -14.176 33.784) 36.638 9.542 ( -0.000 6.793 -13.921) 15.490 9.877 ( -0.000 4.575 -21.292) 21.778 10.880 ( 0.000 -11.519 4.704) 12.443 10.943 ( -0.000 13.341 -23.520) 27.040 11.082 ( 0.000 -3.963 -15.248) 15.754 11.282 ( -0.000 0.987 11.660) 11.702 11.796 ( -0.000 4.217 10.664) 11.468 12.138 ( 0.000 -11.636 -6.923) 13.540 12.156 ( -0.000 11.769 17.390) 20.998 12.959 ( -0.000 11.136 -25.649) 27.962 13.539 ( 0.000 -16.906 -21.977) 27.727 13.921 ( -0.000 0.630 -2.242) 2.329 13.950 ( -0.000 6.878 -0.014) 6.878 14.506 ( 0.000 -9.534 5.718) 11.118 14.769 ( 0.000 -22.930 0.028) 22.930 15.162 ( 0.000 -17.486 0.385) 17.491 15.254 ( -0.000 26.497 -7.345) 27.496 16.263 ( 0.000 -39.334 4.818) 39.628 16.428 ( -0.000 18.907 8.737) 20.828 16.876 ( 0.000 -14.381 -3.995) 14.925 17.716 ( 0.000 -1.513 7.399) 7.552 17.800 ( -0.000 5.112 -1.401) 5.300 18.271 ( 0.000 -5.919 8.341) 10.228 18.428 ( 0.000 -5.757 5.945) 8.276 18.582 ( -0.000 3.012 -8.908) 9.403 18.595 ( -0.000 9.211 3.585) 9.884 20.146 ( -0.000 8.134 1.026) 8.199 20.393 ( -0.000 17.747 -0.664) 17.759 20.746 ( 0.000 -28.840 -11.869) 31.187 21.405 ( 0.000 -52.332 0.734) 52.337 21.981 ( -0.000 7.873 -5.166) 9.417 22.148 ( 0.000 -4.427 -3.425) 5.597 22.389 ( -0.000 9.876 -17.837) 20.388 22.529 ( 0.000 -9.707 -3.418) 10.292 23.394 ( 0.000 -6.428 0.949) 6.497 23.609 ( -0.000 3.368 6.604) 7.413 23.775 ( -0.000 10.116 9.375) 13.792 24.714 ( -0.000 2.541 -5.953) 6.472 25.106 ( -0.000 2.293 -0.372) 2.323 27.299 ( -0.000 25.662 -4.091) 25.986 28.092 ( -0.000 4.055 -8.667) 9.569 28.390 ( -0.000 3.000 -10.249) 10.680 28.816 ( -0.000 0.874 -14.769) 14.794 29.373 ( -0.000 19.002 -23.696) 30.374 29.757 ( 0.000 -2.632 0.857) 2.768 29.911 ( -0.000 0.443 -1.510) 1.574 30.278 ( -0.000 3.176 6.291) 7.047 30.682 ( -0.000 17.762 -4.990) 18.449 31.164 ( -0.000 27.441 -1.459) 27.479 33.590 ( 0.000 -12.814 7.221) 14.709 34.161 ( 0.000 -7.320 7.443) 10.440 35.207 ( 0.000 -15.099 -2.879) 15.371 35.574 ( -0.000 26.877 11.321) 29.164 36.788 ( -0.000 12.142 23.316) 26.288 39.657 ( 0.000 -52.426 18.681) 55.655 ======================= Grid point 235 (81/126) ======================= q-point: ( 0.38 -0.62 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -18.669 -0.000 3.562) 19.006 4.159 ( -2.875 -0.000 1.860) 3.424 4.289 ( 9.243 0.000 4.929) 10.475 5.063 ( 14.140 0.000 -15.150) 20.724 5.225 ( 2.042 0.000 6.987) 7.279 5.260 ( -21.365 -0.000 28.295) 35.455 6.035 ( 10.028 0.000 5.067) 11.236 6.438 ( 6.776 0.000 -16.386) 17.732 6.825 ( 20.527 0.000 35.324) 40.856 6.982 ( 15.275 0.000 3.651) 15.706 7.194 ( -3.965 -0.000 28.463) 28.738 7.776 ( -2.862 -0.000 -1.915) 3.443 8.036 ( 13.784 0.000 -4.293) 14.437 8.347 ( -20.476 -0.000 9.932) 22.758 8.413 ( -3.737 -0.000 5.061) 6.291 8.677 ( 6.697 0.000 34.862) 35.500 9.220 ( 7.039 0.000 -13.299) 15.047 9.728 ( 3.246 0.000 -15.780) 16.111 10.398 ( -2.939 -0.000 0.613) 3.002 10.678 ( 2.715 0.000 15.546) 15.782 10.900 ( 7.710 0.000 -20.009) 21.443 11.525 ( -9.494 -0.000 -0.780) 9.526 11.584 ( -1.171 -0.000 -10.773) 10.836 11.981 ( 10.799 0.000 -36.225) 37.800 12.021 ( -10.823 -0.000 -11.439) 15.748 12.444 ( 0.485 0.000 10.004) 10.015 12.888 ( -4.560 -0.000 -4.960) 6.738 13.174 ( 1.952 0.000 -5.773) 6.094 13.483 ( 2.795 0.000 -0.587) 2.856 13.688 ( -0.218 -0.000 -12.892) 12.894 14.034 ( 12.242 0.000 10.997) 16.456 14.688 ( -20.884 -0.000 2.236) 21.004 15.023 ( -4.747 -0.000 3.035) 5.634 15.502 ( -4.664 -0.000 3.069) 5.583 15.678 ( 9.757 0.000 6.125) 11.520 16.276 ( 1.411 0.000 -2.493) 2.865 17.109 ( -5.098 -0.000 12.911) 13.881 18.117 ( 25.335 0.000 -3.402) 25.562 18.186 ( 1.347 0.000 2.012) 2.421 18.234 ( 5.934 0.000 1.678) 6.167 18.421 ( -22.818 -0.000 -0.763) 22.831 18.483 ( -4.984 -0.000 4.645) 6.813 18.730 ( -4.285 -0.000 -4.440) 6.170 19.538 ( -1.637 -0.000 7.513) 7.689 20.107 ( 12.830 0.000 1.188) 12.885 20.166 ( -12.733 -0.000 -15.785) 20.281 20.870 ( -2.691 -0.000 -2.193) 3.472 22.408 ( -20.160 -0.000 -9.540) 22.303 22.471 ( -23.478 -0.000 -2.159) 23.577 22.605 ( -18.821 -0.000 -7.406) 20.225 22.786 ( 2.019 0.000 -1.817) 2.716 23.240 ( -1.792 -0.000 -0.422) 1.841 23.389 ( 13.768 0.000 -2.180) 13.939 23.928 ( -2.503 -0.000 0.580) 2.570 24.814 ( 13.392 0.000 4.017) 13.981 24.932 ( 5.083 0.000 -3.871) 6.389 27.705 ( 5.093 0.000 -5.752) 7.683 27.946 ( 19.382 0.000 -15.498) 24.816 28.433 ( 13.484 0.000 -3.392) 13.904 28.904 ( 11.681 0.000 -14.036) 18.261 29.188 ( -16.388 -0.000 -13.179) 21.030 29.591 ( 12.615 0.000 -2.953) 12.957 29.982 ( -8.176 -0.000 0.248) 8.180 30.553 ( -7.420 -0.000 5.621) 9.309 31.306 ( 7.753 0.000 -19.125) 20.637 32.305 ( 12.596 0.000 -7.927) 14.883 33.153 ( -7.776 -0.000 9.107) 11.975 33.689 ( -10.957 -0.000 0.359) 10.962 34.971 ( -0.641 -0.000 -1.126) 1.296 36.922 ( -1.947 -0.000 32.394) 32.453 37.152 ( 17.846 0.000 16.338) 24.195 37.570 ( -14.263 -0.000 25.357) 29.093 ======================= Grid point 237 (82/126) ======================= q-point: (-0.50 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -11.249 1.354 4.074) 12.040 4.085 ( -5.060 1.217 3.598) 6.327 4.399 ( 4.594 -0.112 7.447) 8.751 4.909 ( -12.402 10.331 30.028) 34.091 5.185 ( 7.211 7.265 -9.497) 13.963 5.277 ( -0.611 -3.137 -1.710) 3.624 6.149 ( 3.741 -1.330 4.039) 5.664 6.496 ( 3.972 4.996 -24.680) 25.492 6.924 ( 2.773 4.936 44.808) 45.164 7.108 ( 15.880 15.378 9.426) 24.031 7.344 ( 9.671 3.014 9.715) 14.036 7.666 ( -5.886 18.018 1.309) 19.000 7.953 ( -8.783 3.298 17.500) 19.857 8.308 ( 2.700 -9.938 -6.672) 12.271 8.401 ( -1.191 -4.919 3.764) 6.308 8.826 ( 1.943 -15.201 40.882) 43.660 9.309 ( 3.365 -0.769 -13.390) 13.828 9.743 ( 1.619 4.303 -15.360) 16.033 10.422 ( -1.517 -11.040 1.933) 11.311 10.560 ( -2.404 23.554 7.127) 24.726 10.991 ( 3.258 -0.531 -18.288) 18.584 11.337 ( -3.864 4.335 7.629) 9.588 11.659 ( -2.932 -14.738 -8.070) 17.057 11.733 ( -2.265 22.331 -24.755) 33.416 12.233 ( 4.647 6.290 -19.887) 21.370 12.460 ( 4.645 -1.260 6.254) 7.891 12.704 ( -4.108 1.690 -10.034) 10.974 13.317 ( -0.072 -6.637 -15.305) 16.682 13.509 ( -1.361 -16.917 -6.413) 18.143 13.850 ( 13.341 1.381 -3.296) 13.811 14.266 ( -2.490 -10.153 4.132) 11.241 14.455 ( -2.190 -12.750 7.383) 14.895 14.855 ( -6.921 12.962 3.238) 15.047 15.207 ( -22.630 -21.219 11.278) 33.009 16.125 ( 11.580 19.562 -4.317) 23.139 16.276 ( 21.365 -1.888 1.130) 21.478 17.168 ( 0.764 -13.237 10.933) 17.186 17.896 ( -12.653 28.891 2.726) 31.658 17.996 ( -15.709 11.309 8.828) 21.275 18.305 ( -1.560 -2.231 4.263) 5.058 18.367 ( 10.202 5.058 -1.158) 11.445 18.530 ( 10.793 -1.645 -2.945) 11.308 18.769 ( -5.947 -8.927 -2.517) 11.018 19.704 ( 0.622 -33.144 5.850) 33.663 20.081 ( -6.057 -12.254 -17.615) 22.297 20.264 ( 8.681 2.811 1.190) 9.202 20.834 ( -0.468 4.603 -1.428) 4.842 22.086 ( -12.670 0.973 -4.303) 13.416 22.206 ( -18.011 -8.634 -3.431) 20.266 22.336 ( -12.029 3.141 -6.894) 14.216 22.801 ( 4.325 7.574 -8.372) 12.090 23.226 ( -1.401 -2.793 0.559) 3.174 23.603 ( 9.286 -1.709 3.218) 9.975 23.885 ( -3.071 -0.213 -0.327) 3.095 24.914 ( 5.058 7.857 -1.515) 9.466 25.042 ( 5.719 -3.305 -0.507) 6.625 27.763 ( 3.636 3.036 -5.104) 6.964 28.241 ( 17.627 1.039 -12.468) 21.616 28.507 ( 7.801 16.592 -5.702) 19.201 28.886 ( -15.236 -0.885 -9.822) 18.149 29.199 ( 10.694 -10.748 -17.896) 23.455 29.718 ( 1.544 -0.759 0.081) 1.722 29.906 ( -0.634 -0.453 -2.430) 2.552 30.416 ( -8.421 0.540 5.978) 10.341 31.342 ( 1.915 9.931 -20.162) 22.556 32.259 ( 4.009 30.495 -6.533) 31.444 33.144 ( -4.619 -13.945 10.196) 17.882 33.650 ( -3.751 -16.479 -3.419) 17.243 34.969 ( -0.475 -1.424 -1.018) 1.814 36.628 ( -1.043 31.949 27.928) 42.447 37.192 ( -5.089 11.864 22.438) 25.886 37.880 ( 9.309 -46.869 22.342) 52.749 ======================= Grid point 238 (83/126) ======================= q-point: (-0.38 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -0.000 3.526 4.043) 5.365 4.012 ( -0.000 3.062 7.211) 7.835 4.435 ( -0.000 0.281 8.906) 8.911 4.678 ( -0.000 14.739 28.910) 32.450 5.161 ( -0.000 13.565 -14.626) 19.948 5.245 ( -0.000 2.185 3.600) 4.211 6.186 ( 0.000 -0.184 8.617) 8.619 6.452 ( -0.000 9.970 -28.737) 30.417 6.911 ( -0.000 8.123 41.609) 42.395 7.012 ( -0.000 32.646 -3.509) 32.834 7.337 ( -0.000 10.749 22.029) 24.512 7.361 ( -0.000 7.028 1.309) 7.149 7.898 ( -0.000 3.353 28.049) 28.249 8.356 ( -0.000 1.459 -0.401) 1.514 8.493 ( 0.000 -11.665 -10.495) 15.691 9.065 ( 0.000 -23.494 43.951) 49.836 9.341 ( 0.000 -0.756 -13.669) 13.690 9.693 ( -0.000 6.804 -15.268) 16.715 10.217 ( -0.000 28.626 -4.823) 29.029 10.565 ( 0.000 -16.241 3.615) 16.639 11.028 ( 0.000 -1.496 -18.140) 18.202 11.301 ( -0.000 0.727 13.670) 13.689 11.438 ( -0.000 26.935 -28.049) 38.888 11.817 ( 0.000 -16.566 -9.660) 19.177 12.068 ( -0.000 20.302 -1.251) 20.340 12.398 ( -0.000 9.759 18.610) 21.013 12.898 ( 0.000 -22.396 -34.501) 41.133 13.282 ( -0.000 5.067 -20.551) 21.166 13.788 ( 0.000 -27.032 0.645) 27.040 13.940 ( -0.000 1.368 -2.344) 2.714 14.312 ( 0.000 -17.853 1.053) 17.884 14.544 ( -0.000 13.388 4.930) 14.267 14.806 ( 0.000 -14.150 0.027) 14.150 15.328 ( 0.000 -38.828 15.318) 41.740 15.889 ( -0.000 28.435 -2.226) 28.522 16.597 ( 0.000 -6.978 -2.928) 7.567 17.144 ( -0.000 27.187 1.404) 27.224 17.679 ( 0.000 -1.856 15.127) 15.241 17.687 ( 0.000 -1.072 7.538) 7.614 18.326 ( 0.000 -3.490 5.300) 6.346 18.364 ( -0.000 9.627 0.444) 9.637 18.633 ( -0.000 1.659 -9.278) 9.425 18.736 ( -0.000 2.057 3.920) 4.427 20.141 ( 0.000 -33.971 -5.793) 34.461 20.275 ( 0.000 -39.897 -7.694) 40.632 20.296 ( -0.000 5.335 1.249) 5.479 20.732 ( -0.000 11.707 -1.810) 11.846 22.021 ( 0.000 -3.026 -3.086) 4.322 22.156 ( 0.000 -13.227 -3.602) 13.709 22.182 ( -0.000 6.152 -6.521) 8.965 22.740 ( -0.000 11.465 -11.949) 16.560 23.260 ( 0.000 -5.409 0.934) 5.489 23.671 ( -0.000 2.187 6.514) 6.872 23.860 ( 0.000 -0.283 1.729) 1.753 24.858 ( -0.000 9.078 -5.533) 10.632 25.119 ( 0.000 -1.573 0.791) 1.760 27.728 ( -0.000 10.227 -4.497) 11.172 28.310 ( -0.000 18.678 -9.519) 20.964 28.450 ( -0.000 2.340 -8.748) 9.056 28.760 ( 0.000 -3.908 -12.423) 13.024 29.426 ( 0.000 -9.862 -18.194) 20.695 29.715 ( 0.000 -1.282 0.810) 1.516 29.921 ( -0.000 0.359 -2.353) 2.380 30.327 ( -0.000 1.424 6.209) 6.371 31.165 ( -0.000 21.888 -17.288) 27.892 31.902 ( -0.000 38.173 -4.731) 38.465 33.266 ( 0.000 -15.630 9.776) 18.435 33.852 ( 0.000 -21.608 -3.866) 21.951 34.994 ( 0.000 -4.472 -0.665) 4.521 36.260 ( -0.000 35.387 22.622) 42.000 37.020 ( -0.000 10.427 23.101) 25.345 38.508 ( 0.000 -53.436 22.937) 58.151 ======================= Grid point 246 (84/126) ======================= q-point: (-0.50 0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 0.000 -0.000 4.573) 4.573 4.045 ( 0.000 -0.000 5.501) 5.501 4.435 ( -0.000 0.000 8.100) 8.100 4.861 ( -0.000 0.000 30.919) 30.919 5.232 ( -0.000 0.000 4.574) 4.574 5.312 ( 0.000 -0.000 -18.978) 18.978 6.175 ( -0.000 0.000 2.622) 2.622 6.549 ( -0.000 0.000 -29.139) 29.139 6.942 ( -0.000 0.000 55.092) 55.092 7.269 ( 0.000 -0.000 0.671) 0.671 7.693 ( -0.000 0.000 -11.150) 11.150 7.723 ( -0.000 0.000 37.656) 37.656 7.742 ( 0.000 -0.000 -0.596) 0.596 8.257 ( 0.000 -0.000 -5.707) 5.707 8.391 ( -0.000 0.000 3.603) 3.603 8.744 ( 0.000 -0.000 46.942) 46.942 9.332 ( 0.000 -0.000 -13.315) 13.315 9.787 ( 0.000 -0.000 -16.123) 16.123 10.341 ( 0.000 -0.000 2.323) 2.323 10.699 ( -0.000 0.000 9.438) 9.438 11.012 ( 0.000 -0.000 -18.687) 18.687 11.309 ( 0.000 -0.000 14.260) 14.260 11.542 ( 0.000 -0.000 -12.157) 12.157 11.841 ( -0.000 0.000 -18.863) 18.863 12.336 ( 0.000 -0.000 -49.635) 49.635 12.514 ( 0.000 -0.000 19.314) 19.314 12.687 ( -0.000 0.000 -8.230) 8.230 13.226 ( 0.000 -0.000 -7.278) 7.278 13.424 ( -0.000 0.000 -17.517) 17.517 13.975 ( -0.000 0.000 -2.898) 2.898 14.090 ( 0.000 -0.000 2.144) 2.144 14.628 ( -0.000 0.000 27.051) 27.051 14.640 ( 0.000 -0.000 -0.276) 0.276 14.945 ( 0.000 -0.000 3.818) 3.818 16.295 ( -0.000 0.000 -2.401) 2.401 16.514 ( 0.000 -0.000 -3.745) 3.745 17.118 ( 0.000 -0.000 13.225) 13.225 17.675 ( 0.000 -0.000 7.585) 7.585 18.287 ( 0.000 -0.000 4.998) 4.998 18.312 ( 0.000 -0.000 6.492) 6.492 18.388 ( -0.000 0.000 2.997) 2.997 18.557 ( 0.000 -0.000 -2.780) 2.780 18.651 ( 0.000 -0.000 -9.412) 9.412 19.513 ( -0.000 0.000 8.046) 8.046 19.962 ( 0.000 -0.000 -19.016) 19.016 20.355 ( 0.000 -0.000 1.348) 1.348 20.867 ( 0.000 -0.000 -1.063) 1.063 21.984 ( 0.000 -0.000 -3.096) 3.096 22.000 ( 0.000 -0.000 -3.378) 3.378 22.258 ( -0.000 0.000 -7.068) 7.068 22.872 ( -0.000 0.000 -8.702) 8.702 23.196 ( 0.000 -0.000 1.071) 1.071 23.695 ( 0.000 -0.000 6.472) 6.472 23.843 ( 0.000 -0.000 -4.905) 4.905 25.032 ( -0.000 0.000 4.717) 4.717 25.034 ( 0.000 -0.000 -6.425) 6.425 27.807 ( 0.000 -0.000 -5.071) 5.071 28.477 ( 0.000 -0.000 -8.089) 8.089 28.659 ( 0.000 -0.000 -14.985) 14.985 28.688 ( -0.000 0.000 -3.631) 3.631 29.215 ( 0.000 -0.000 -18.320) 18.320 29.702 ( 0.000 -0.000 0.553) 0.553 29.925 ( 0.000 -0.000 -2.743) 2.743 30.341 ( 0.000 -0.000 6.403) 6.403 31.425 ( 0.000 -0.000 -21.791) 21.791 32.502 ( 0.000 -0.000 -7.863) 7.863 33.001 ( 0.000 -0.000 9.947) 9.947 33.506 ( -0.000 0.000 -2.652) 2.652 34.959 ( -0.000 0.000 -1.380) 1.380 36.761 ( 0.000 -0.000 33.666) 33.666 37.453 ( 0.000 -0.000 18.027) 18.027 37.493 ( -0.000 0.000 21.830) 21.830 ======================= Grid point 276 (85/126) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 0.000 0.000 -11.504) 11.504 3.956 ( 0.000 0.000 -1.592) 1.592 3.970 ( 0.000 0.000 5.067) 5.067 4.077 ( 0.000 0.000 20.714) 20.714 4.429 ( 0.000 0.000 33.443) 33.443 4.655 ( 0.000 0.000 -3.499) 3.499 5.542 ( 0.000 0.000 -24.193) 24.193 5.604 ( 0.000 0.000 18.700) 18.700 6.052 ( 0.000 0.000 -1.093) 1.093 6.542 ( 0.000 0.000 -0.246) 0.246 7.435 ( 0.000 0.000 10.916) 10.916 7.910 ( 0.000 0.000 10.094) 10.094 8.257 ( 0.000 0.000 1.029) 1.029 8.513 ( 0.000 0.000 -20.782) 20.782 8.807 ( 0.000 0.000 65.325) 65.325 8.834 ( 0.000 0.000 -2.740) 2.740 9.105 ( 0.000 0.000 -10.573) 10.573 9.112 ( 0.000 0.000 -10.941) 10.941 10.089 ( 0.000 0.000 -29.033) 29.033 10.914 ( 0.000 0.000 -10.580) 10.580 11.118 ( 0.000 0.000 16.455) 16.455 11.266 ( 0.000 0.000 1.821) 1.821 11.366 ( 0.000 0.000 5.116) 5.116 11.559 ( 0.000 0.000 0.673) 0.673 12.170 ( 0.000 0.000 13.372) 13.372 12.550 ( 0.000 0.000 -3.866) 3.866 12.843 ( 0.000 0.000 -6.638) 6.638 13.208 ( 0.000 0.000 -4.356) 4.356 13.299 ( 0.000 0.000 1.820) 1.820 13.868 ( 0.000 0.000 -1.805) 1.805 14.086 ( 0.000 0.000 -34.366) 34.366 15.370 ( 0.000 0.000 0.880) 0.880 15.611 ( 0.000 0.000 26.437) 26.437 15.614 ( 0.000 0.000 -0.956) 0.956 16.242 ( 0.000 0.000 -9.257) 9.257 16.890 ( 0.000 0.000 -14.190) 14.190 17.143 ( 0.000 0.000 -15.037) 15.037 17.631 ( 0.000 0.000 1.377) 1.377 17.893 ( 0.000 0.000 5.447) 5.447 18.148 ( 0.000 0.000 -2.939) 2.939 18.334 ( 0.000 0.000 -5.530) 5.530 18.575 ( 0.000 0.000 1.475) 1.475 18.731 ( 0.000 0.000 4.565) 4.565 19.910 ( 0.000 0.000 6.415) 6.415 19.913 ( 0.000 0.000 0.340) 0.340 21.377 ( 0.000 0.000 -0.680) 0.680 21.692 ( 0.000 0.000 -2.045) 2.045 22.215 ( 0.000 0.000 -4.564) 4.564 22.234 ( 0.000 0.000 -2.134) 2.134 22.439 ( 0.000 0.000 -2.125) 2.125 22.762 ( 0.000 0.000 -6.069) 6.069 23.276 ( 0.000 0.000 1.677) 1.677 23.584 ( 0.000 0.000 0.745) 0.745 23.612 ( 0.000 0.000 3.691) 3.691 24.784 ( 0.000 0.000 3.882) 3.882 25.282 ( 0.000 0.000 4.182) 4.182 26.810 ( 0.000 0.000 2.075) 2.075 27.719 ( 0.000 0.000 -6.311) 6.311 27.800 ( 0.000 0.000 -6.926) 6.926 28.097 ( 0.000 0.000 -8.350) 8.350 28.482 ( 0.000 0.000 -14.336) 14.336 29.828 ( 0.000 0.000 -1.256) 1.256 29.888 ( 0.000 0.000 -0.543) 0.543 30.314 ( 0.000 0.000 6.146) 6.146 30.466 ( 0.000 0.000 2.336) 2.336 30.788 ( 0.000 0.000 -0.124) 0.124 33.819 ( 0.000 0.000 2.029) 2.029 34.678 ( 0.000 0.000 9.354) 9.354 35.051 ( 0.000 0.000 2.785) 2.785 35.682 ( 0.000 0.000 1.186) 1.186 36.743 ( 0.000 0.000 15.205) 15.205 41.045 ( 0.000 0.000 0.376) 0.376 ======================= Grid point 277 (86/126) ======================= q-point: ( 0.12 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 29.076 -18.750 -9.104) 35.775 3.990 ( 4.127 -0.876 -1.286) 4.410 4.113 ( 8.985 -9.835 5.970) 14.598 4.152 ( 3.739 -8.957 14.839) 17.732 4.506 ( -2.733 -3.308 8.009) 9.086 4.724 ( 15.720 -1.304 20.784) 26.092 5.565 ( 2.639 -3.879 -17.045) 17.679 5.790 ( 8.684 -15.480 17.368) 24.834 6.132 ( 8.214 -4.382 -1.408) 9.415 6.514 ( -2.716 0.915 0.261) 2.878 7.404 ( -3.394 0.096 9.440) 10.032 7.893 ( -1.014 0.305 11.453) 11.502 8.263 ( 1.028 2.682 -1.340) 3.169 8.454 ( -3.612 0.616 -3.866) 5.326 8.838 ( 1.081 -4.180 9.931) 10.829 8.933 ( 5.410 -3.421 32.735) 33.355 9.083 ( -2.308 0.104 -10.016) 10.278 9.156 ( 4.302 -4.334 -11.585) 13.096 10.026 ( -1.820 8.304 -24.574) 26.003 10.867 ( -4.664 4.788 -3.813) 7.695 10.951 ( -9.386 2.387 9.440) 13.524 11.280 ( 4.372 3.611 3.313) 6.568 11.451 ( 5.694 -1.303 4.797) 7.558 11.672 ( 1.654 -11.569 -2.151) 11.883 12.328 ( 16.333 -3.273 12.071) 20.572 12.525 ( 0.154 4.441 -2.401) 5.050 12.660 ( -5.463 24.627 -2.521) 25.352 13.128 ( 0.788 -7.059 -7.486) 10.320 13.461 ( -17.347 -25.911 -1.508) 31.218 13.854 ( -1.439 -9.067 -0.026) 9.181 13.916 ( -10.996 12.422 -30.691) 34.888 15.407 ( 6.406 7.628 2.562) 10.285 15.597 ( 3.345 13.127 8.024) 15.744 15.659 ( 11.170 7.611 6.785) 15.124 16.185 ( -6.515 -5.936 0.803) 8.850 16.557 ( -27.428 6.482 -12.910) 31.000 17.201 ( -1.399 -9.935 -13.173) 16.559 17.533 ( 3.400 19.523 -0.131) 19.817 18.174 ( 12.936 -2.334 1.885) 13.279 18.202 ( 8.847 -8.328 0.859) 12.180 18.255 ( -8.069 -2.651 -3.708) 9.267 18.614 ( 3.830 1.187 1.178) 4.179 18.742 ( 3.090 2.418 2.475) 4.639 19.799 ( -14.165 -2.971 0.135) 14.474 19.945 ( -1.561 -9.401 4.587) 10.576 21.374 ( -5.712 -4.332 0.592) 7.193 21.603 ( -10.988 -0.172 -2.943) 11.376 21.945 ( 1.462 33.116 -7.310) 33.945 22.347 ( 14.690 3.152 -4.795) 15.771 22.627 ( 2.677 -11.703 -1.272) 12.072 22.780 ( 7.376 5.892 -4.385) 10.409 23.331 ( 3.411 -5.793 1.642) 6.920 23.584 ( 1.505 1.090 0.504) 1.925 23.668 ( 5.819 -0.627 2.804) 6.490 24.741 ( -8.932 -5.130 3.429) 10.856 25.210 ( -0.722 12.890 3.324) 13.332 26.743 ( -5.816 -2.490 1.075) 6.417 27.720 ( -8.961 -7.756 -5.708) 13.154 27.844 ( -3.999 -17.489 -7.347) 19.387 28.208 ( 9.309 1.174 -8.685) 12.785 28.490 ( -0.237 -5.496 -13.241) 14.339 29.871 ( 2.023 0.925 -1.748) 2.830 29.932 ( 7.838 -0.252 -2.415) 8.206 30.339 ( 2.049 -1.925 5.635) 6.297 30.544 ( 9.068 -1.581 3.539) 9.861 30.820 ( 3.515 -1.126 -0.531) 3.728 33.794 ( -2.778 0.274 1.544) 3.190 34.632 ( -2.738 4.784 8.441) 10.081 35.088 ( -1.068 -8.508 3.338) 9.202 35.693 ( 7.857 10.200 2.195) 13.061 36.831 ( 4.804 -10.021 15.559) 19.121 40.804 ( -20.211 13.986 3.194) 24.785 ======================= Grid point 278 (87/126) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 31.861 -13.551 -5.590) 35.071 4.087 ( 5.586 -1.091 -1.676) 5.933 4.244 ( -0.414 -5.972 8.790) 10.635 4.408 ( -9.685 -3.857 -2.345) 10.686 4.513 ( 16.234 -18.712 3.285) 24.989 5.072 ( 19.563 -1.914 24.237) 31.206 5.710 ( 8.974 -5.723 -9.331) 14.154 6.061 ( 6.134 -9.060 14.440) 18.117 6.430 ( 3.652 -9.143 6.037) 11.549 6.472 ( 8.919 -5.695 8.670) 13.680 7.366 ( -1.403 -3.686 4.854) 6.254 7.907 ( -0.496 -6.028 11.527) 13.017 8.198 ( 0.433 9.051 -5.324) 10.510 8.440 ( -0.590 0.428 7.295) 7.331 8.851 ( -7.433 -10.321 -6.815) 14.430 8.989 ( -4.318 -1.218 2.128) 4.965 9.139 ( 12.606 0.239 22.497) 25.790 9.343 ( 9.562 -8.061 -18.970) 22.721 9.893 ( -2.855 7.148 -7.727) 10.907 10.678 ( -9.233 4.945 7.662) 12.977 10.857 ( -3.559 0.586 -4.323) 5.630 11.300 ( 4.888 9.732 2.100) 11.091 11.546 ( 3.941 -1.723 2.896) 5.185 11.768 ( -2.286 -5.148 -2.694) 6.244 12.281 ( -5.437 14.876 -0.119) 15.839 12.433 ( 0.799 8.133 -0.743) 8.206 12.777 ( 20.904 -6.859 3.772) 22.321 13.220 ( -13.238 -7.736 -5.505) 16.291 13.313 ( -6.842 -1.041 -9.578) 11.816 13.617 ( -8.505 -0.929 -18.810) 20.665 14.068 ( -0.210 -27.120 1.763) 27.178 15.311 ( -6.767 15.309 -0.525) 16.746 15.341 ( -4.573 23.856 6.868) 25.243 15.738 ( -6.811 13.484 -5.132) 15.954 15.998 ( 0.273 6.227 -0.551) 6.257 16.435 ( 6.883 -15.079 5.624) 17.504 17.220 ( -6.117 -1.168 -7.806) 9.986 17.420 ( 7.336 14.486 -2.950) 16.504 18.066 ( -14.545 -4.244 0.679) 15.167 18.197 ( -9.783 -8.040 1.203) 12.720 18.534 ( 9.395 7.797 2.171) 12.401 18.701 ( 9.833 3.340 2.482) 10.677 18.800 ( 13.825 -0.530 -0.279) 13.837 19.617 ( -15.271 -9.242 -1.752) 17.936 20.077 ( -0.399 -18.596 2.041) 18.712 21.227 ( -15.249 0.875 1.065) 15.311 21.387 ( -3.985 15.094 -3.700) 16.043 21.659 ( -5.900 14.611 -11.193) 19.328 22.542 ( 15.796 9.064 -7.991) 19.888 22.701 ( 6.550 8.206 -0.998) 10.547 22.911 ( 14.952 2.834 -2.866) 15.486 23.435 ( -1.292 -5.857 1.535) 6.191 23.667 ( 3.776 -11.014 0.623) 11.660 23.778 ( 8.221 1.998 2.265) 8.758 24.621 ( -14.259 -7.313 2.043) 16.154 24.993 ( -4.540 18.466 1.843) 19.105 26.781 ( 0.259 -13.688 -1.385) 13.760 27.649 ( -8.398 -4.351 -4.785) 10.600 27.940 ( -7.166 -15.904 -7.393) 18.946 28.217 ( -2.892 4.323 -11.942) 13.025 28.673 ( 10.274 -10.851 -8.886) 17.386 29.798 ( -6.925 4.448 -4.277) 9.276 30.161 ( 17.306 -2.586 -2.741) 17.712 30.424 ( 3.182 -5.990 3.489) 7.627 30.733 ( 6.856 -5.211 4.263) 9.609 30.949 ( 12.552 -0.536 -1.944) 12.713 33.745 ( -2.969 -1.322 0.964) 3.390 34.486 ( -6.093 9.579 6.265) 12.967 35.194 ( -2.627 -16.466 4.653) 17.312 35.692 ( 11.343 19.175 4.151) 22.663 37.129 ( 13.711 -19.271 16.472) 28.821 40.164 ( -33.509 23.714 9.210) 42.072 ======================= Grid point 279 (88/126) ======================= q-point: ( 0.38 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( 26.939 -5.345 -2.604) 27.587 4.050 ( -13.304 1.148 0.431) 13.361 4.274 ( 4.745 -0.848 -1.710) 5.114 4.379 ( -4.071 -6.812 -0.453) 7.949 4.956 ( 14.174 -15.752 3.061) 21.410 5.283 ( 6.470 1.609 13.293) 14.871 5.936 ( 9.927 -5.827 4.249) 12.270 6.168 ( -0.616 -1.746 6.626) 6.880 6.449 ( 5.731 -0.830 9.335) 10.985 6.715 ( 0.383 -3.127 19.187) 19.444 7.537 ( 11.911 -12.680 7.172) 18.818 7.980 ( -1.953 -7.029 8.879) 11.492 8.139 ( 5.977 10.078 -6.194) 13.254 8.337 ( -10.364 1.446 4.133) 11.251 8.842 ( -4.256 -4.407 -5.050) 7.940 8.939 ( -4.703 -2.325 -6.966) 8.721 9.391 ( 13.833 -8.586 21.844) 27.244 9.602 ( 14.730 -3.470 -25.763) 29.879 9.827 ( -4.871 -7.242 17.535) 19.586 10.466 ( -8.440 12.469 -0.250) 15.059 10.814 ( -2.448 -3.043 -3.116) 4.996 11.137 ( -5.493 18.219 -4.484) 19.550 11.623 ( 8.608 4.152 2.080) 9.781 11.748 ( -4.547 -5.692 0.131) 7.287 12.241 ( 5.514 -0.471 -1.436) 5.717 12.362 ( -0.263 3.606 -1.032) 3.760 12.774 ( -23.112 -8.972 -6.096) 25.531 12.999 ( -6.360 23.314 -16.196) 29.091 13.485 ( 32.077 -3.232 0.399) 32.242 13.838 ( 3.870 -30.507 -6.005) 31.332 14.335 ( -2.608 -21.384 3.388) 21.807 14.921 ( -11.423 14.742 -2.086) 18.766 14.984 ( -23.068 12.296 2.478) 26.258 15.268 ( -10.744 24.030 -3.326) 26.531 16.247 ( 31.016 13.402 -2.782) 33.902 16.702 ( -4.964 -20.861 8.020) 22.894 17.117 ( -2.353 -0.428 -2.826) 3.703 17.380 ( 4.541 14.291 -0.801) 15.016 17.909 ( -11.033 -6.705 1.959) 13.058 18.071 ( -9.903 1.670 3.161) 10.529 18.530 ( -0.910 -2.390 2.677) 3.702 18.678 ( 0.643 8.467 0.770) 8.526 19.156 ( 22.901 2.149 0.418) 23.005 19.518 ( -12.434 -11.113 -2.534) 16.867 20.318 ( 2.264 -22.754 0.101) 22.867 20.928 ( -12.863 10.975 -0.078) 16.908 21.223 ( 9.052 21.329 -6.536) 24.074 21.420 ( -16.408 -2.850 -10.888) 19.897 22.633 ( 9.685 9.734 -6.764) 15.307 22.698 ( 3.497 6.857 -3.698) 8.539 23.150 ( 15.372 -0.011 -2.549) 15.582 23.429 ( -2.312 0.424 0.019) 2.351 23.858 ( 1.429 -10.501 2.816) 10.965 23.875 ( 6.530 -0.776 3.173) 7.301 24.483 ( -12.658 -9.426 0.074) 15.782 24.716 ( -5.246 17.174 0.771) 17.974 27.011 ( 6.586 -16.840 -3.817) 18.481 27.525 ( -8.525 3.720 -4.162) 10.190 27.974 ( -3.047 -6.944 -8.372) 11.296 28.104 ( -5.931 1.852 -11.670) 13.221 28.975 ( 13.082 -10.180 -7.108) 18.036 29.582 ( -11.632 7.569 -5.289) 14.851 30.441 ( 13.095 -0.411 -0.038) 13.101 30.546 ( 3.599 -4.392 -0.318) 5.687 30.879 ( 0.882 -15.494 1.320) 15.575 31.134 ( 11.129 7.249 -3.153) 13.650 33.772 ( 1.847 -7.231 1.365) 7.586 34.244 ( -8.655 13.253 4.031) 16.335 35.346 ( -4.784 -22.316 5.815) 23.552 35.631 ( 10.206 24.156 5.609) 26.817 37.675 ( 25.077 -25.351 17.298) 39.632 39.311 ( -37.708 28.084 14.385) 49.168 ======================= Grid point 280 (89/126) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.749 ( -21.673 1.825 -0.642) 21.759 3.749 ( 21.673 -1.825 -0.642) 21.759 4.356 ( -5.803 -3.042 -2.049) 6.865 4.356 ( 5.803 3.042 -2.049) 6.865 5.241 ( -0.081 -8.765 6.195) 10.733 5.241 ( 0.081 8.765 6.195) 10.733 6.103 ( -2.260 0.464 8.111) 8.433 6.103 ( 2.260 -0.464 8.111) 8.433 6.615 ( -6.109 -1.937 12.977) 14.473 6.615 ( 6.109 1.937 12.977) 14.473 7.870 ( 3.694 -8.172 13.425) 16.144 7.870 ( -3.694 8.172 13.425) 16.144 8.183 ( -11.279 -8.084 -5.482) 14.920 8.183 ( 11.279 8.084 -5.482) 14.920 8.865 ( 1.383 -4.333 -7.847) 9.070 8.865 ( -1.383 4.333 -7.847) 9.070 9.656 ( -9.272 -13.306 16.128) 22.872 9.656 ( 9.272 13.306 16.128) 22.872 10.085 ( 11.386 -23.872 -6.109) 27.144 10.085 ( -11.386 23.872 -6.109) 27.144 10.892 ( 0.670 -12.696 -5.132) 13.710 10.892 ( -0.670 12.696 -5.132) 13.710 11.718 ( -10.810 -11.226 0.269) 15.587 11.718 ( 10.810 11.226 0.269) 15.587 12.324 ( -9.316 -7.606 1.930) 12.180 12.324 ( 9.316 7.606 1.930) 12.180 12.702 ( -5.204 -23.360 -14.238) 27.847 12.702 ( 5.204 23.360 -14.238) 27.847 14.003 ( -25.823 -10.926 -0.663) 28.047 14.003 ( 25.823 10.926 -0.663) 28.047 14.459 ( 3.260 -16.602 -0.255) 16.921 14.459 ( -3.260 16.602 -0.255) 16.921 14.924 ( -3.829 -28.823 -1.051) 29.095 14.924 ( 3.829 28.823 -1.051) 29.095 16.585 ( -28.661 -15.205 -1.129) 32.464 16.585 ( 28.661 15.205 -1.129) 32.464 17.241 ( -3.673 -18.333 3.576) 19.036 17.241 ( 3.673 18.333 3.576) 19.036 17.909 ( 2.351 -6.023 2.567) 6.956 17.909 ( -2.351 6.023 2.567) 6.956 18.586 ( -1.968 -9.867 1.861) 10.232 18.586 ( 1.968 9.867 1.861) 10.232 19.408 ( -15.723 -7.509 -1.270) 17.470 19.408 ( 15.723 7.509 -1.270) 17.470 20.614 ( 6.314 -19.537 -0.407) 20.536 20.614 ( -6.314 19.537 -0.407) 20.536 21.238 ( -22.492 -26.543 -9.379) 36.033 21.238 ( 22.492 26.543 -9.379) 36.033 22.671 ( -3.904 -3.551 -5.446) 7.583 22.671 ( 3.904 3.551 -5.446) 7.583 23.345 ( -6.686 0.968 -1.497) 6.920 23.345 ( 6.686 -0.968 -1.497) 6.920 23.932 ( -12.362 -15.616 3.861) 20.288 23.932 ( 12.362 15.616 3.861) 20.288 24.499 ( -0.749 -14.419 -0.305) 14.442 24.499 ( 0.749 14.419 -0.305) 14.442 27.298 ( 5.478 -12.776 -4.497) 14.610 27.298 ( -5.478 12.776 -4.497) 14.610 28.015 ( -8.628 -12.794 -9.948) 18.360 28.015 ( 8.628 12.794 -9.948) 18.360 29.290 ( 13.309 -9.287 -6.084) 17.332 29.290 ( -13.309 9.287 -6.084) 17.332 30.569 ( -6.818 -10.663 0.695) 12.675 30.569 ( 6.818 10.663 0.695) 12.675 31.087 ( -2.108 -18.582 -2.951) 18.933 31.087 ( 2.108 18.582 -2.951) 18.933 33.964 ( 5.299 -13.309 2.436) 14.531 33.964 ( -5.299 13.309 2.436) 14.531 35.505 ( -7.655 -25.146 6.175) 27.001 35.505 ( 7.655 25.146 6.175) 27.001 38.434 ( 32.461 -27.835 16.962) 46.002 38.434 ( -32.461 27.835 16.962) 46.002 ======================= Grid point 286 (90/126) ======================= q-point: ( 0.12 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 42.110 0.000 -8.675) 42.994 4.075 ( 7.446 0.000 -1.570) 7.610 4.169 ( 4.311 0.000 12.413) 13.140 4.312 ( 20.708 0.000 5.519) 21.431 4.367 ( -12.157 -0.000 -1.401) 12.238 5.095 ( 27.528 0.000 28.994) 39.980 5.612 ( 7.670 0.000 -6.546) 10.083 5.933 ( 17.311 0.000 16.205) 23.713 6.265 ( 10.644 0.000 -4.372) 11.507 6.476 ( -0.750 -0.000 2.308) 2.427 7.327 ( -5.515 -0.000 6.742) 8.710 7.858 ( -2.543 -0.000 7.852) 8.254 8.313 ( 0.752 0.000 1.443) 1.627 8.440 ( 1.512 0.000 -5.182) 5.398 8.702 ( -7.446 -0.000 -4.057) 8.480 8.995 ( -4.239 -0.000 4.370) 6.088 9.158 ( 13.138 0.000 31.082) 33.745 9.217 ( 7.596 0.000 -8.759) 11.594 10.020 ( -4.848 -0.000 -24.211) 24.692 10.741 ( -13.305 -0.000 11.180) 17.378 10.854 ( -2.877 -0.000 -3.658) 4.654 11.403 ( 7.907 0.000 3.463) 8.632 11.485 ( 0.056 0.000 3.584) 3.584 11.698 ( 7.291 0.000 -8.261) 11.018 12.545 ( 0.084 0.000 -0.736) 0.741 12.586 ( 1.306 0.000 9.170) 9.262 12.785 ( 7.094 0.000 -0.508) 7.112 12.971 ( -12.174 -0.000 -4.109) 12.848 13.115 ( 0.598 0.000 -6.891) 6.917 13.757 ( -1.497 -0.000 1.513) 2.128 13.773 ( -14.731 -0.000 -26.732) 30.523 15.464 ( -3.349 -0.000 1.679) 3.747 15.663 ( -27.987 -0.000 1.851) 28.048 15.856 ( 8.548 0.000 25.466) 26.862 16.082 ( 19.025 0.000 -2.268) 19.159 16.268 ( -11.709 -0.000 -15.275) 19.247 17.128 ( -2.489 -0.000 -13.827) 14.049 17.737 ( 6.662 0.000 2.276) 7.040 17.978 ( -10.389 -0.000 -0.440) 10.399 18.040 ( -13.535 -0.000 -3.520) 13.986 18.684 ( 3.342 0.000 -0.507) 3.380 18.710 ( 32.485 0.000 2.066) 32.550 18.798 ( 2.301 0.000 -0.204) 2.310 19.498 ( -19.938 -0.000 -2.018) 20.040 19.845 ( -3.252 -0.000 5.979) 6.806 21.176 ( -15.009 -0.000 0.628) 15.023 21.413 ( -13.062 -0.000 -6.115) 14.423 22.287 ( 5.555 0.000 -4.301) 7.026 22.458 ( -0.512 -0.000 -1.281) 1.379 22.653 ( 19.064 0.000 -9.660) 21.371 22.945 ( 10.243 0.000 -4.222) 11.079 23.391 ( 3.434 0.000 2.150) 4.052 23.590 ( -1.232 -0.000 -0.278) 1.263 23.805 ( 11.009 0.000 1.230) 11.078 24.509 ( -15.294 -0.000 1.958) 15.419 25.243 ( -6.038 -0.000 4.296) 7.411 26.637 ( -1.997 -0.000 0.035) 1.998 27.544 ( -5.386 -0.000 -3.696) 6.532 27.734 ( -0.561 -0.000 -8.122) 8.142 28.405 ( -3.542 -0.000 -13.068) 13.540 28.446 ( 15.701 0.000 -7.226) 17.284 29.847 ( -5.529 -0.000 -4.447) 7.095 30.115 ( 14.573 0.000 -3.633) 15.019 30.352 ( 0.925 0.000 5.157) 5.239 30.699 ( 9.074 0.000 5.122) 10.420 30.953 ( 15.244 0.000 -1.704) 15.339 33.725 ( -5.642 -0.000 1.709) 5.895 34.578 ( -7.270 -0.000 7.319) 10.316 35.029 ( -1.015 -0.000 1.942) 2.191 35.957 ( 17.278 0.000 4.909) 17.962 36.863 ( 7.436 0.000 16.091) 17.726 40.424 ( -35.990 -0.000 7.515) 36.767 ======================= Grid point 287 (91/126) ======================= q-point: ( 0.25 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 35.374 -2.510 -5.992) 35.966 4.104 ( -13.024 3.530 -0.081) 13.494 4.238 ( 4.285 -4.139 -1.931) 6.263 4.250 ( 3.552 -2.545 3.737) 5.750 4.725 ( 25.581 -5.352 5.731) 26.756 5.424 ( 18.140 8.612 20.545) 28.728 5.805 ( 11.172 -5.931 1.180) 12.704 6.199 ( 11.384 5.125 12.655) 17.777 6.382 ( 4.137 -6.856 7.071) 10.682 6.632 ( 14.971 -3.382 11.423) 19.133 7.303 ( 2.289 -6.992 -1.222) 7.458 7.844 ( -0.505 -2.650 5.149) 5.813 8.224 ( -11.358 -0.608 -1.580) 11.483 8.453 ( 1.760 6.205 -3.701) 7.436 8.694 ( 2.455 -7.338 -3.476) 8.483 8.907 ( -5.057 1.361 0.993) 5.331 9.355 ( 11.980 2.163 28.162) 30.680 9.402 ( 9.037 -8.724 -2.593) 12.826 9.900 ( -4.578 5.040 -15.717) 17.128 10.561 ( -8.230 0.285 4.255) 9.269 10.816 ( -1.834 0.880 0.375) 2.068 11.454 ( 0.941 7.882 -2.961) 8.473 11.495 ( -2.448 -4.940 0.229) 5.518 11.830 ( 9.625 2.313 -6.594) 11.894 12.265 ( -16.286 4.217 -1.572) 16.896 12.527 ( 1.656 5.463 2.661) 6.298 12.685 ( -15.590 6.846 -3.813) 17.448 13.158 ( 4.282 -22.001 -5.526) 23.085 13.403 ( 30.462 -1.161 0.848) 30.496 13.497 ( -9.350 7.344 -20.072) 23.329 13.860 ( 3.002 -15.246 2.114) 15.682 15.052 ( -39.904 2.363 3.381) 40.117 15.326 ( -8.567 10.473 -0.480) 13.539 15.778 ( -2.153 20.087 8.703) 21.997 16.272 ( -2.520 -16.364 3.673) 16.960 16.499 ( 31.885 6.317 -3.945) 32.743 17.040 ( -11.935 -2.812 -6.221) 13.750 17.739 ( 3.343 12.892 -1.676) 13.423 17.786 ( -9.531 -2.539 1.908) 10.046 17.985 ( -3.592 -8.577 -1.338) 9.395 18.633 ( -3.254 11.400 2.172) 12.053 18.808 ( 0.696 2.461 -2.182) 3.361 19.190 ( 27.600 0.919 1.144) 27.639 19.271 ( -14.695 -11.470 -3.703) 19.006 19.871 ( -2.317 -14.064 4.461) 14.935 20.929 ( -18.984 -4.660 -0.390) 19.551 21.191 ( -15.519 -0.917 -8.065) 17.514 22.075 ( 8.251 35.775 -4.539) 36.994 22.681 ( 1.664 -14.523 -0.750) 14.637 22.859 ( 9.739 6.546 -10.611) 15.820 23.114 ( 9.309 -3.037 -2.796) 10.183 23.370 ( -4.153 -0.161 -0.318) 4.168 23.565 ( -7.276 -7.115 -1.003) 10.226 23.999 ( 15.551 3.580 1.795) 16.058 24.301 ( -14.039 -5.873 0.770) 15.238 25.034 ( -10.924 9.520 3.736) 14.964 26.756 ( 11.825 -6.211 -3.783) 13.882 27.520 ( -2.230 -4.422 -2.266) 5.446 27.777 ( 2.614 -2.741 -8.117) 8.957 28.305 ( -0.256 8.732 -12.190) 14.997 28.757 ( 15.134 -8.509 -6.801) 18.646 29.699 ( -10.959 2.983 -5.547) 12.640 30.350 ( 3.681 -2.605 1.808) 4.858 30.405 ( 10.299 -7.521 -2.927) 13.085 30.790 ( 3.962 1.865 3.425) 5.560 31.255 ( 21.744 3.171 -1.790) 22.047 33.642 ( -6.153 -3.717 1.470) 7.338 34.414 ( -11.407 2.812 5.675) 13.048 35.044 ( -1.468 -6.052 1.972) 6.533 36.153 ( 19.588 20.933 7.553) 29.647 37.137 ( 14.615 -21.316 16.659) 30.749 39.732 ( -42.868 10.394 13.026) 45.993 ======================= Grid point 288 (92/126) ======================= q-point: ( 0.38 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( 24.546 -0.091 -2.406) 24.664 3.802 ( -18.788 2.625 -0.426) 18.976 4.283 ( -1.665 -3.326 1.652) 4.070 4.400 ( 10.081 0.986 -4.960) 11.279 5.127 ( 17.017 -2.092 6.991) 18.516 5.517 ( 11.077 14.803 9.417) 20.748 6.028 ( 9.274 -4.828 9.138) 13.886 6.177 ( -2.119 4.775 3.655) 6.376 6.583 ( 12.081 1.863 19.095) 22.673 6.734 ( 0.631 5.606 11.427) 12.744 7.608 ( 14.464 -13.953 5.614) 20.867 7.895 ( 0.700 -6.164 5.166) 8.073 8.027 ( -17.093 -6.746 -5.664) 19.229 8.401 ( 4.524 10.735 -1.817) 11.790 8.815 ( 3.038 0.856 1.404) 3.454 8.868 ( 1.629 -5.005 -5.778) 7.816 9.435 ( -3.508 -2.913 14.969) 15.648 9.649 ( 7.643 -13.577 15.773) 22.170 9.885 ( 11.298 5.231 -11.611) 17.024 10.463 ( -4.103 4.562 -4.226) 7.450 10.753 ( -3.527 2.715 1.677) 4.757 11.232 ( -7.385 17.862 -9.648) 21.603 11.497 ( -6.734 -8.438 -2.770) 11.145 11.917 ( 7.591 5.060 1.383) 9.227 12.207 ( -2.391 -14.970 -11.242) 18.873 12.338 ( -15.898 5.704 -2.335) 17.051 12.522 ( 7.772 9.105 4.350) 12.737 13.160 ( -2.944 17.335 -14.938) 23.072 13.508 ( -2.935 -28.826 -6.972) 29.802 14.051 ( 39.733 -2.942 1.064) 39.856 14.127 ( 4.137 -18.776 2.642) 19.407 14.452 ( -31.556 -5.645 2.000) 32.119 14.990 ( -10.886 21.615 -1.319) 24.238 15.515 ( -1.752 22.500 2.770) 22.738 16.278 ( -18.806 -11.948 0.687) 22.291 16.823 ( -2.432 -0.834 2.055) 3.291 16.971 ( 19.354 0.896 0.426) 19.379 17.586 ( -5.875 5.063 1.712) 7.942 17.830 ( 9.225 4.168 -0.060) 10.123 18.004 ( 0.922 1.591 1.169) 2.179 18.436 ( -7.435 1.447 2.402) 7.947 18.759 ( -1.104 5.639 -0.730) 5.792 19.219 ( -10.809 -11.223 -3.244) 15.916 19.540 ( 20.254 4.532 0.594) 20.764 20.080 ( 1.270 -26.265 1.982) 26.371 20.696 ( -20.787 -11.691 -3.980) 24.179 20.958 ( -13.063 1.899 -7.457) 15.161 21.890 ( 15.297 32.483 -5.933) 36.392 22.691 ( -6.964 3.483 -2.977) 8.336 22.821 ( -2.139 8.771 -7.402) 11.675 23.272 ( 4.059 -4.378 -2.317) 6.404 23.329 ( -8.592 -4.237 -1.667) 9.724 23.523 ( -11.891 -20.469 1.314) 23.709 24.138 ( 1.648 0.942 3.920) 4.356 24.282 ( 9.666 -1.824 -0.803) 9.869 24.787 ( -5.160 10.795 1.490) 12.057 27.071 ( 17.149 -7.043 -6.371) 19.603 27.528 ( 1.103 3.005 -1.597) 3.578 27.824 ( 0.733 -0.078 -9.289) 9.319 28.261 ( 7.807 8.634 -11.461) 16.336 29.086 ( 14.827 -8.663 -5.733) 18.104 29.453 ( -13.919 5.539 -6.055) 16.158 30.363 ( -6.227 -7.570 2.073) 10.019 30.718 ( 11.689 -11.480 -5.839) 17.393 30.787 ( 0.737 5.618 2.313) 6.120 31.461 ( 14.201 14.769 -2.669) 20.662 33.658 ( -2.017 -12.977 2.016) 13.287 34.173 ( -13.045 5.130 3.432) 14.432 35.107 ( -2.648 -11.473 2.846) 12.114 36.130 ( 14.675 32.106 9.256) 36.494 37.755 ( 24.540 -33.987 16.745) 45.141 38.918 ( -40.754 16.144 16.699) 46.908 ======================= Grid point 289 (93/126) ======================= q-point: (-0.50 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( -21.585 4.197 -0.197) 21.990 4.055 ( 15.838 1.300 -0.069) 15.892 4.270 ( -1.831 -1.179 -0.567) 2.250 4.514 ( 8.380 5.373 -4.992) 11.136 5.233 ( -0.448 6.592 6.752) 9.447 5.475 ( 6.301 19.737 8.183) 22.276 6.055 ( -6.733 5.348 4.198) 9.568 6.211 ( 9.719 -0.373 7.057) 12.017 6.510 ( -7.701 8.234 10.659) 15.515 6.799 ( 11.454 5.947 16.921) 21.281 7.760 ( -8.467 3.770 9.936) 13.588 7.864 ( -6.733 -9.225 4.073) 12.126 8.041 ( 8.199 -4.038 2.948) 9.603 8.381 ( 3.839 5.184 2.330) 6.858 8.903 ( 7.619 -2.748 -5.825) 9.976 8.939 ( 5.315 2.598 -10.551) 12.097 9.335 ( -15.300 -7.771 20.608) 26.818 9.905 ( 6.934 5.071 22.500) 24.084 10.031 ( 1.884 -0.279 -9.328) 9.520 10.221 ( 1.502 13.349 -15.403) 20.438 10.759 ( -0.808 -10.991 -3.824) 11.666 11.006 ( -1.225 9.369 -6.330) 11.373 11.453 ( -8.442 -6.987 -2.263) 11.190 11.964 ( 3.790 4.085 1.430) 5.753 12.113 ( -7.947 0.626 -0.204) 7.974 12.405 ( 0.965 -24.748 -14.224) 28.560 12.544 ( 4.641 11.788 -0.155) 12.669 13.066 ( 15.836 12.985 -9.189) 22.445 13.505 ( -24.766 -4.019 -2.188) 25.185 14.164 ( -4.485 -23.783 0.812) 24.216 14.506 ( 0.004 28.675 -1.647) 28.722 14.544 ( 7.383 -24.996 2.814) 26.215 14.817 ( 27.966 -6.257 -5.558) 29.191 15.246 ( -2.503 19.082 1.077) 19.276 16.009 ( -22.578 -5.674 -2.422) 23.406 16.747 ( -16.269 -19.178 6.293) 25.924 17.254 ( 10.350 21.804 3.757) 24.426 17.395 ( 4.518 7.479 -1.373) 8.845 17.965 ( 8.852 -3.367 4.681) 10.564 18.057 ( 11.346 4.442 1.516) 12.279 18.418 ( -4.250 -10.466 0.734) 11.320 18.672 ( -1.964 4.858 1.845) 5.555 19.098 ( -15.510 -3.655 -0.603) 15.946 19.736 ( 14.418 8.744 -0.401) 16.867 20.454 ( 7.219 -30.655 -0.035) 31.494 20.566 ( -16.340 -20.597 -7.161) 27.249 20.738 ( -9.086 6.948 -6.192) 13.007 21.859 ( 19.101 25.607 -7.316) 32.773 22.494 ( -13.474 -1.156 -4.607) 14.286 22.655 ( -10.478 2.854 -5.057) 11.979 23.097 ( -22.271 -5.118 -2.170) 22.954 23.359 ( 0.145 -5.012 -0.758) 5.071 23.640 ( -1.315 -14.179 3.377) 14.635 24.137 ( -2.144 -1.049 6.711) 7.123 24.464 ( 9.094 2.108 -2.952) 9.790 24.691 ( 8.466 8.063 -0.601) 11.706 27.342 ( 6.522 5.622 -2.994) 9.116 27.512 ( 13.343 8.708 -6.416) 17.177 27.840 ( -0.611 -5.080 -9.452) 10.748 28.359 ( 16.834 11.415 -10.859) 23.057 29.159 ( -14.562 6.795 -6.644) 17.388 29.402 ( 13.421 -8.362 -4.745) 16.510 30.306 ( -12.456 -8.359 0.243) 15.003 30.699 ( -3.545 6.088 2.342) 7.424 30.942 ( 2.148 -6.689 -5.706) 9.051 31.379 ( 4.528 25.541 -2.262) 26.038 33.812 ( -4.386 -12.852 5.430) 14.625 33.969 ( -2.987 -3.044 -1.080) 4.399 35.196 ( -4.315 -15.156 3.367) 16.113 35.963 ( 9.789 34.214 9.701) 36.885 38.142 ( -32.021 16.858 18.384) 40.589 38.590 ( 29.121 -37.663 15.309) 50.009 ======================= Grid point 290 (94/126) ======================= q-point: (-0.38 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( -20.846 9.438 -0.958) 22.903 4.120 ( -3.201 1.964 -0.591) 3.802 4.339 ( 9.047 2.019 1.990) 9.481 4.549 ( 6.256 8.752 -4.087) 11.508 5.014 ( -6.810 21.896 1.968) 23.014 5.263 ( -7.994 17.626 20.234) 28.000 5.841 ( -9.908 7.198 -6.666) 13.944 6.283 ( 3.772 13.112 3.100) 13.991 6.397 ( 1.112 -3.354 7.422) 8.220 6.827 ( 3.649 15.769 23.675) 28.679 7.504 ( -7.905 9.478 10.150) 15.979 7.934 ( -1.340 -9.855 7.766) 12.619 8.124 ( 4.001 5.413 0.476) 6.748 8.418 ( 3.026 -0.671 8.762) 9.294 8.986 ( 4.686 3.280 -3.247) 6.577 9.059 ( 7.571 2.832 -11.415) 13.987 9.154 ( -14.727 -6.574 21.889) 27.189 9.524 ( -12.790 21.784 -24.147) 34.946 9.979 ( 0.577 11.636 9.706) 15.164 10.477 ( 10.932 -13.378 0.499) 17.284 10.836 ( -0.578 -3.453 -9.284) 9.922 11.027 ( 0.077 -11.619 2.188) 11.823 11.444 ( -0.779 -6.672 1.760) 6.944 11.924 ( 2.281 9.995 2.977) 10.675 12.085 ( -4.170 -11.281 -1.469) 12.117 12.431 ( 0.090 11.088 -3.010) 11.490 12.711 ( -1.676 -21.755 -12.975) 25.386 13.079 ( -13.869 -0.009 -8.037) 16.030 13.371 ( 23.944 5.814 -3.320) 24.862 14.056 ( -6.517 26.337 -1.551) 27.175 14.498 ( 4.262 -15.012 1.368) 15.665 14.855 ( -0.626 -8.551 1.877) 8.777 14.997 ( 8.423 1.288 -4.965) 9.862 15.358 ( -3.100 -19.615 -7.706) 21.302 15.892 ( 13.243 -2.626 0.866) 13.528 16.747 ( -12.889 -18.434 5.202) 23.087 16.880 ( -13.033 13.931 4.267) 19.548 17.553 ( 14.088 11.783 -3.081) 18.623 18.135 ( 9.038 -0.549 3.566) 9.732 18.241 ( 12.614 -0.625 3.104) 13.005 18.407 ( -10.628 -5.543 0.033) 11.987 18.635 ( -0.701 -2.429 3.348) 4.195 18.831 ( -16.190 3.026 1.806) 16.569 19.841 ( 13.256 10.795 -0.785) 17.113 20.485 ( -3.221 16.797 -0.888) 17.126 20.665 ( -11.816 -34.269 -11.643) 38.073 20.955 ( 15.818 -27.886 -0.058) 32.060 21.901 ( 15.562 19.935 -8.427) 26.656 22.334 ( -13.208 -8.046 -4.900) 16.223 22.450 ( -17.610 -6.735 -2.817) 19.063 22.811 ( -20.594 -7.376 -2.306) 21.996 23.411 ( -0.020 -5.100 0.641) 5.140 23.720 ( -1.039 -3.791 3.082) 4.996 24.035 ( -2.993 13.130 7.419) 15.375 24.558 ( 1.783 -8.835 -3.389) 9.629 24.842 ( 14.954 4.817 -0.602) 15.722 27.187 ( 0.987 22.369 -2.436) 22.523 27.729 ( 14.983 4.301 -7.201) 17.171 27.930 ( 3.575 -7.619 -8.344) 11.851 28.504 ( 20.160 18.043 -11.775) 29.506 28.866 ( -12.960 6.921 -7.643) 16.561 29.671 ( 9.949 -6.773 -3.694) 12.590 30.141 ( -16.686 -4.423 -1.090) 17.297 30.557 ( -6.166 5.556 2.575) 8.690 30.886 ( -10.393 4.032 -2.556) 11.437 31.144 ( 0.690 22.909 -0.928) 22.938 33.744 ( -4.761 -2.457 2.163) 5.778 34.181 ( 4.915 -17.988 2.101) 18.765 35.288 ( -5.483 -16.440 2.979) 17.584 35.726 ( 5.534 32.001 9.256) 33.769 37.537 ( -20.425 17.433 17.669) 32.145 39.468 ( 27.473 -39.981 12.445) 50.082 ======================= Grid point 291 (95/126) ======================= q-point: (-0.25 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -15.941 20.595 -2.794) 26.193 4.028 ( -4.059 2.516 -0.271) 4.783 4.374 ( 3.392 11.228 6.529) 13.424 4.572 ( 5.177 5.733 -2.676) 8.175 4.606 ( -6.397 28.651 0.557) 29.362 4.896 ( -13.406 15.637 29.107) 35.657 5.653 ( -4.919 5.286 -18.165) 19.547 6.173 ( 1.856 12.699 3.507) 13.304 6.474 ( 1.875 -1.820 4.906) 5.559 6.518 ( -6.333 32.854 22.395) 40.262 7.404 ( 0.486 0.542 7.690) 7.725 7.927 ( -3.087 2.538 17.847) 18.288 8.184 ( 5.328 -2.260 -8.746) 10.488 8.454 ( 2.613 0.394 9.996) 10.339 8.858 ( -13.681 1.393 38.400) 40.788 9.077 ( 2.575 -0.063 -9.793) 10.126 9.126 ( 5.908 9.225 -11.450) 15.846 9.285 ( -5.364 3.692 -28.445) 29.181 9.871 ( -0.834 2.527 -3.964) 4.775 10.735 ( 7.031 -7.992 1.879) 10.809 10.874 ( 0.700 -4.975 1.284) 5.185 11.126 ( -2.872 -10.823 2.998) 11.592 11.483 ( -2.323 -0.038 5.804) 6.252 11.901 ( 3.394 5.054 0.390) 6.101 12.189 ( 1.941 -13.651 -0.825) 13.813 12.367 ( -0.811 1.739 2.297) 2.993 12.542 ( -13.717 5.762 -3.035) 15.185 13.232 ( 3.334 -16.746 -20.031) 26.321 13.645 ( 13.582 9.556 -6.830) 17.957 13.787 ( 5.560 9.031 -5.541) 11.965 14.425 ( 3.202 32.092 1.496) 32.286 15.039 ( -1.917 -28.231 1.148) 28.319 15.175 ( -4.407 -17.507 -3.080) 18.314 15.371 ( -8.011 -17.709 -3.752) 19.795 16.375 ( 27.981 -4.995 0.243) 28.425 16.443 ( -8.091 12.511 3.143) 15.228 16.965 ( -3.500 -28.932 -1.140) 29.165 17.539 ( 4.895 17.262 -5.491) 18.764 18.109 ( -22.185 -4.340 3.892) 22.938 18.317 ( 6.924 3.242 -3.065) 8.237 18.417 ( 9.107 2.577 3.788) 10.195 18.613 ( -4.497 4.603 3.518) 7.334 18.655 ( -4.675 -5.639 3.218) 8.001 19.941 ( 12.777 9.371 -0.032) 15.845 20.245 ( -3.519 16.770 0.009) 17.135 20.943 ( -4.231 -39.028 -6.963) 39.869 21.498 ( 22.116 -12.513 -0.393) 25.413 21.879 ( 5.652 16.774 -9.355) 20.020 22.227 ( -11.202 -8.183 -3.726) 14.365 22.290 ( -19.562 -22.354 -0.884) 29.718 22.656 ( -9.421 -8.554 -3.158) 13.111 23.470 ( 0.981 -4.345 1.011) 4.567 23.697 ( -2.348 1.850 3.234) 4.403 23.791 ( -3.024 22.404 4.178) 22.990 24.712 ( 1.095 -14.044 1.724) 14.192 24.993 ( 8.371 2.232 -1.242) 8.753 26.977 ( 1.718 19.458 -1.673) 19.605 27.844 ( 6.774 4.618 -6.705) 10.591 28.081 ( 7.215 -1.096 -7.475) 10.447 28.512 ( 5.049 25.086 -10.779) 27.767 28.652 ( -0.154 9.445 -11.925) 15.212 29.826 ( 1.240 -3.200 -1.496) 3.744 29.931 ( -10.272 -0.879 -1.867) 10.478 30.409 ( -4.986 4.059 4.233) 7.698 30.628 ( -11.120 6.367 0.568) 12.827 30.946 ( -0.459 13.897 0.248) 13.906 33.754 ( 0.168 -4.310 0.625) 4.359 34.419 ( 2.504 -14.820 5.309) 15.940 35.376 ( -4.035 -13.721 2.033) 14.446 35.474 ( 1.832 24.345 7.655) 25.586 37.134 ( -8.618 15.704 16.529) 24.373 40.246 ( 17.434 -36.770 7.563) 41.391 ======================= Grid point 292 (96/126) ======================= q-point: (-0.12 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -0.000 31.052 -6.117) 31.649 3.969 ( -0.000 1.807 -0.024) 1.808 4.227 ( -0.000 24.257 2.446) 24.380 4.260 ( -0.000 14.002 11.842) 18.338 4.593 ( -0.000 14.433 32.670) 35.716 4.628 ( 0.000 -1.080 -2.857) 3.054 5.572 ( -0.000 2.990 -22.432) 22.630 6.025 ( -0.000 35.941 24.274) 43.370 6.112 ( -0.000 5.863 -2.067) 6.216 6.522 ( 0.000 -1.816 1.121) 2.134 7.423 ( 0.000 -1.007 9.419) 9.473 7.886 ( 0.000 -0.226 14.536) 14.538 8.243 ( 0.000 -1.235 -4.870) 5.024 8.513 ( -0.000 0.012 -12.553) 12.553 8.714 ( 0.000 -2.820 60.058) 60.124 9.093 ( -0.000 15.394 -13.083) 20.202 9.103 ( 0.000 -0.123 -10.320) 10.321 9.151 ( -0.000 3.391 -12.162) 12.626 9.927 ( 0.000 -10.753 -18.150) 21.097 10.851 ( 0.000 -4.880 -11.498) 12.490 10.970 ( 0.000 -7.914 18.202) 19.848 11.193 ( 0.000 -6.711 2.259) 7.081 11.419 ( -0.000 3.733 5.942) 7.017 11.828 ( -0.000 14.213 -2.554) 14.440 12.252 ( -0.000 7.453 12.773) 14.788 12.418 ( 0.000 -19.788 3.909) 20.171 12.486 ( 0.000 -9.698 -10.690) 14.434 13.229 ( -0.000 12.388 -8.558) 15.057 13.787 ( 0.000 -13.956 -24.333) 28.051 13.870 ( -0.000 0.158 -1.855) 1.862 14.060 ( -0.000 35.608 -4.805) 35.931 15.200 ( 0.000 -15.230 0.665) 15.245 15.389 ( 0.000 -23.113 7.971) 24.449 15.484 ( 0.000 -11.595 -0.659) 11.613 16.251 ( -0.000 5.946 -0.279) 5.952 16.764 ( 0.000 -9.352 -7.277) 11.850 17.238 ( 0.000 -23.228 -2.657) 23.379 17.390 ( -0.000 14.153 -9.384) 16.981 17.882 ( 0.000 -0.992 5.502) 5.591 18.365 ( -0.000 2.563 -5.651) 6.205 18.399 ( -0.000 14.089 1.175) 14.138 18.564 ( 0.000 -1.388 4.365) 4.581 18.667 ( 0.000 -5.349 4.451) 6.959 19.992 ( -0.000 6.785 0.435) 6.799 20.042 ( -0.000 11.945 2.582) 12.221 21.304 ( 0.000 -29.345 -0.755) 29.354 21.743 ( -0.000 3.509 -9.644) 10.262 21.752 ( -0.000 5.363 -2.292) 5.832 22.189 ( 0.000 -3.937 -2.196) 4.509 22.445 ( 0.000 -32.087 -0.864) 32.099 22.664 ( 0.000 -4.677 -3.625) 5.917 23.493 ( -0.000 24.697 1.603) 24.749 23.533 ( 0.000 -4.359 0.855) 4.442 23.646 ( -0.000 2.743 3.525) 4.466 24.836 ( 0.000 -3.157 5.549) 6.384 25.079 ( 0.000 -9.331 -0.782) 9.364 26.841 ( -0.000 9.214 -0.155) 9.215 27.858 ( -0.000 4.141 -6.426) 7.645 28.129 ( -0.000 2.909 -7.892) 8.411 28.216 ( -0.000 32.369 -8.098) 33.366 28.558 ( -0.000 8.406 -14.889) 17.099 29.810 ( 0.000 -1.569 -0.506) 1.648 29.886 ( 0.000 -0.240 -0.847) 0.881 30.340 ( -0.000 2.153 5.469) 5.878 30.490 ( -0.000 2.707 1.391) 3.043 30.835 ( -0.000 6.219 0.375) 6.231 33.800 ( 0.000 -2.594 0.761) 2.703 34.571 ( 0.000 -10.178 7.912) 12.892 35.242 ( -0.000 18.184 5.648) 19.041 35.505 ( 0.000 -13.798 1.016) 13.835 36.916 ( -0.000 13.415 15.715) 20.663 40.739 ( 0.000 -27.666 3.334) 27.866 ======================= Grid point 295 (97/126) ======================= q-point: ( 0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( 26.087 0.000 -3.585) 26.332 3.836 ( -18.904 -0.000 -1.051) 18.933 4.242 ( 0.397 0.000 3.894) 3.914 4.407 ( 12.203 0.000 -6.064) 13.626 5.112 ( 22.851 0.000 7.930) 24.188 5.731 ( 14.078 0.000 15.204) 20.721 5.937 ( 9.265 0.000 7.774) 12.094 6.255 ( -4.087 -0.000 -4.191) 5.854 6.652 ( 27.029 0.000 33.225) 42.830 6.799 ( 6.849 0.000 10.534) 12.564 7.369 ( 13.424 0.000 -8.235) 15.749 7.841 ( 1.567 0.000 2.279) 2.766 7.913 ( -21.863 -0.000 -3.278) 22.108 8.531 ( 0.165 0.000 -3.296) 3.300 8.746 ( 8.113 0.000 -5.177) 9.624 8.899 ( 3.228 0.000 0.639) 3.290 9.377 ( -6.687 -0.000 22.302) 23.283 9.559 ( 10.249 0.000 30.937) 32.591 9.920 ( 7.314 0.000 -32.852) 33.656 10.456 ( -4.627 -0.000 -0.427) 4.646 10.823 ( 1.295 0.000 4.765) 4.938 11.400 ( -4.756 -0.000 -4.849) 6.792 11.496 ( -3.909 -0.000 -11.166) 11.830 11.899 ( -22.539 -0.000 -5.751) 23.261 12.020 ( 9.356 0.000 -5.976) 11.102 12.577 ( -1.368 -0.000 3.015) 3.310 12.676 ( 1.571 0.000 1.690) 2.307 13.009 ( 0.517 0.000 -7.819) 7.836 13.381 ( -8.132 -0.000 -17.175) 19.002 13.856 ( 8.263 0.000 3.750) 9.074 14.017 ( 41.076 0.000 1.109) 41.091 14.423 ( -39.316 -0.000 2.449) 39.392 15.257 ( -8.051 -0.000 -0.445) 8.063 15.768 ( -16.566 -0.000 13.468) 21.350 16.142 ( 0.990 0.000 -5.548) 5.636 16.734 ( -23.909 -0.000 4.866) 24.399 17.071 ( 34.702 0.000 -2.585) 34.798 17.540 ( -11.441 -0.000 4.162) 12.175 17.923 ( 6.059 0.000 -7.070) 9.311 18.000 ( 9.030 0.000 1.579) 9.166 18.701 ( -3.449 -0.000 1.798) 3.890 18.795 ( -2.312 -0.000 -2.270) 3.240 18.941 ( -14.078 -0.000 -4.838) 14.887 19.589 ( 21.192 0.000 1.263) 21.230 19.749 ( -1.935 -0.000 5.105) 5.460 20.550 ( -24.795 -0.000 -5.964) 25.503 20.983 ( -10.294 -0.000 -5.510) 11.676 22.447 ( -0.357 -0.000 -1.981) 2.013 22.626 ( 15.240 0.000 -2.766) 15.489 22.948 ( -4.401 -0.000 -9.267) 10.259 23.155 ( -4.376 -0.000 0.649) 4.423 23.245 ( -6.969 -0.000 -2.681) 7.467 23.295 ( -18.985 -0.000 -3.503) 19.305 24.100 ( -7.429 -0.000 1.447) 7.569 24.313 ( 20.076 0.000 1.853) 20.161 24.908 ( -8.449 -0.000 2.127) 8.713 27.001 ( 21.158 0.000 -7.287) 22.377 27.493 ( 1.742 0.000 -2.449) 3.005 27.905 ( 11.952 0.000 -5.543) 13.175 28.348 ( 1.335 0.000 -13.569) 13.634 28.982 ( 18.042 0.000 -5.064) 18.739 29.514 ( -14.362 -0.000 -6.043) 15.582 30.278 ( -6.333 -0.000 2.617) 6.852 30.565 ( 11.032 0.000 -3.953) 11.719 30.870 ( 3.860 0.000 -0.000) 3.860 31.636 ( 22.170 0.000 -2.343) 22.294 33.502 ( -7.789 -0.000 1.633) 7.958 34.212 ( -15.280 -0.000 4.603) 15.958 34.997 ( -1.006 -0.000 0.934) 1.372 36.684 ( 26.420 0.000 9.391) 28.039 37.180 ( 11.788 0.000 17.767) 21.322 39.094 ( -43.379 -0.000 16.481) 46.404 ======================= Grid point 296 (98/126) ======================= q-point: ( 0.38 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( -20.557 1.484 0.515) 20.617 4.089 ( 18.294 1.389 -1.167) 18.384 4.237 ( -1.425 -1.346 1.195) 2.296 4.594 ( 11.884 1.908 -7.999) 14.452 5.326 ( 5.547 2.334 8.841) 10.695 5.863 ( 9.094 13.992 10.850) 19.905 6.089 ( 4.556 -6.712 10.641) 13.381 6.177 ( -2.334 1.988 0.668) 3.138 6.816 ( 5.031 14.279 8.665) 17.444 6.978 ( 20.069 10.749 21.462) 31.287 7.648 ( -2.083 -5.325 6.586) 8.722 7.699 ( 0.909 -12.999 -10.534) 16.756 7.913 ( 6.655 -5.065 6.610) 10.660 8.488 ( -1.874 2.666 0.832) 3.364 8.896 ( 7.105 -3.403 -7.371) 10.788 8.952 ( 6.657 7.829 3.681) 10.915 9.223 ( -12.812 -5.547 22.939) 26.853 9.706 ( 7.259 -4.669 28.590) 29.865 10.127 ( 15.835 0.333 -29.501) 33.484 10.428 ( -0.954 -2.309 -3.483) 4.287 10.782 ( -2.749 10.904 2.642) 11.551 11.271 ( -9.255 12.942 -14.132) 21.281 11.351 ( -3.843 -1.219 -8.316) 9.242 11.740 ( -11.672 -18.224 -11.185) 24.360 12.071 ( -3.781 -2.627 -5.086) 6.861 12.434 ( 1.575 18.293 3.615) 18.713 12.752 ( 8.775 6.375 2.276) 11.082 13.172 ( -2.765 -22.832 -7.503) 24.192 13.293 ( 5.473 6.415 -10.377) 13.372 13.871 ( -29.512 -3.480 1.118) 29.737 14.084 ( 10.289 -13.621 4.099) 17.556 14.660 ( 34.194 -4.316 -1.504) 34.498 15.051 ( -7.116 15.872 0.148) 17.395 15.456 ( -17.833 0.543 4.117) 18.310 16.101 ( -2.382 10.088 -3.244) 10.861 16.388 ( -25.029 -11.874 10.459) 29.611 17.429 ( -0.495 -2.892 5.856) 6.550 17.582 ( 26.837 4.532 -0.918) 27.232 18.037 ( 8.335 4.848 -3.077) 10.122 18.128 ( 8.756 1.675 0.931) 8.963 18.397 ( -8.913 17.232 0.306) 19.404 18.742 ( -7.103 1.549 0.824) 7.317 18.923 ( -8.159 -16.308 -2.735) 18.439 19.799 ( 2.312 -15.146 4.087) 15.858 19.895 ( 13.187 -2.093 0.806) 13.376 20.200 ( -24.120 -9.327 -11.830) 28.438 20.856 ( -5.114 1.912 -3.295) 6.377 22.339 ( 1.350 13.897 -5.563) 15.030 22.641 ( -7.154 15.156 -1.048) 16.793 22.747 ( -15.028 3.718 -5.660) 16.484 22.966 ( -25.220 -4.982 -2.570) 25.836 23.233 ( 3.214 -16.999 -0.616) 17.311 23.264 ( 2.819 -7.793 -1.166) 8.368 24.033 ( -3.974 -3.092 2.367) 5.563 24.600 ( 17.764 4.572 1.909) 18.442 24.820 ( 0.369 3.419 -0.873) 3.548 27.351 ( 21.327 -0.117 -7.766) 22.697 27.563 ( 4.836 -3.097 -2.806) 6.391 28.026 ( 10.765 14.893 -6.657) 19.545 28.443 ( 10.572 -3.450 -13.258) 17.305 29.257 ( -16.310 2.300 -6.269) 17.624 29.280 ( 17.141 -2.393 -3.824) 17.724 30.168 ( -10.184 -3.649 1.060) 10.870 30.696 ( 0.435 -3.242 0.845) 3.378 30.920 ( 5.407 2.105 -6.393) 8.633 31.864 ( 14.961 15.713 -2.949) 21.896 33.457 ( -5.080 -12.922 2.493) 14.107 33.961 ( -15.743 -0.631 2.451) 15.946 35.001 ( -1.203 -3.773 1.220) 4.144 36.762 ( 16.747 39.177 12.290) 44.343 37.701 ( 18.721 -40.730 16.732) 47.848 38.426 ( -35.212 6.184 17.664) 39.877 ======================= Grid point 297 (99/126) ======================= q-point: (-0.50 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -17.850 3.654 1.147) 18.257 4.164 ( -2.639 1.889 0.482) 3.280 4.351 ( 11.146 -0.358 0.507) 11.163 4.718 ( 8.921 6.119 -8.748) 13.913 5.291 ( -2.356 6.842 7.006) 10.072 5.698 ( -7.709 16.138 21.886) 28.264 6.009 ( -6.078 7.305 -10.792) 14.380 6.292 ( 4.956 -5.306 9.835) 12.224 6.703 ( 8.888 24.460 2.980) 26.195 7.115 ( 14.268 12.060 13.359) 22.967 7.687 ( -4.047 2.886 12.320) 13.285 7.734 ( 2.517 -5.078 0.759) 5.718 8.142 ( 8.115 -4.127 10.840) 14.156 8.447 ( 0.868 2.402 5.462) 6.030 8.918 ( -9.052 -6.228 23.928) 26.330 9.011 ( 4.124 -1.263 -8.544) 9.571 9.174 ( 4.948 3.753 -5.378) 8.215 9.913 ( 4.647 -14.634 34.096) 37.393 10.196 ( -6.042 30.906 -15.764) 35.216 10.401 ( 8.614 3.264 -22.097) 23.940 10.638 ( -1.632 -7.116 -2.713) 7.788 11.022 ( -7.742 9.173 -12.767) 17.523 11.365 ( 3.109 -2.443 -3.443) 5.242 11.792 ( -6.444 -15.378 -7.331) 18.214 12.072 ( -5.718 -10.570 -8.083) 14.483 12.322 ( 4.351 6.456 -0.370) 7.794 12.713 ( 0.398 11.980 0.000) 11.987 13.147 ( -15.647 1.060 -6.915) 17.140 13.475 ( 20.960 3.799 -3.229) 21.545 13.774 ( -5.508 -30.893 -2.811) 31.506 14.435 ( 9.622 -18.635 4.249) 21.398 14.712 ( -7.601 20.276 -0.249) 21.656 14.932 ( -15.862 -11.684 -2.180) 19.821 15.438 ( 24.795 12.544 -3.733) 28.037 15.937 ( -1.664 6.403 2.907) 7.226 16.230 ( -14.001 -17.933 6.756) 23.733 17.359 ( -8.374 13.915 2.425) 16.420 17.770 ( 12.205 14.028 5.747) 19.462 18.077 ( 8.042 1.325 2.002) 8.393 18.261 ( 6.753 -1.928 0.181) 7.025 18.306 ( 3.473 -0.358 -1.827) 3.940 18.582 ( -11.577 -2.204 5.473) 12.994 18.887 ( -7.489 -0.705 -0.606) 7.547 20.024 ( 11.243 1.717 0.559) 11.387 20.046 ( -14.781 -21.191 -15.206) 29.979 20.192 ( 5.806 -33.856 1.224) 34.372 20.755 ( -2.692 7.161 -2.124) 7.940 22.172 ( -10.224 3.100 -7.090) 12.822 22.402 ( -7.177 9.739 -1.497) 12.190 22.474 ( -5.747 10.604 -4.271) 12.795 22.621 ( -25.494 -7.547 -2.418) 26.697 23.292 ( -0.691 -5.082 0.295) 5.137 23.562 ( 8.240 -12.391 1.719) 14.980 24.021 ( -3.835 -5.871 3.934) 8.041 24.668 ( 4.352 12.104 -2.944) 13.195 24.919 ( 12.551 1.278 0.452) 12.624 27.557 ( 8.238 8.336 -0.930) 11.757 27.767 ( 15.201 -4.943 -7.840) 17.804 27.975 ( 8.946 18.943 -10.256) 23.325 28.706 ( 17.442 -0.920 -12.409) 21.425 28.968 ( -16.360 2.761 -6.790) 17.927 29.556 ( 13.897 -2.895 -2.513) 14.416 30.033 ( -12.557 -4.492 -0.378) 13.341 30.631 ( -7.690 1.409 3.014) 8.379 30.964 ( 0.661 3.578 -8.022) 8.809 31.761 ( 5.335 30.610 -2.304) 31.156 33.574 ( -5.669 -16.043 6.463) 18.201 33.815 ( -5.751 -11.746 -3.108) 13.442 35.036 ( -1.762 -6.910 1.816) 7.358 36.523 ( 9.126 41.755 13.032) 44.684 37.827 ( -24.036 8.579 18.930) 31.776 38.532 ( 19.891 -45.779 14.024) 51.846 ======================= Grid point 298 (100/126) ======================= q-point: (-0.38 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( -11.228 7.960 1.154) 13.811 4.086 ( -3.421 2.631 0.602) 4.358 4.486 ( 6.154 1.044 1.814) 6.500 4.740 ( 4.832 9.658 -8.092) 13.495 5.118 ( -4.882 14.771 10.817) 18.948 5.358 ( -8.391 20.611 20.987) 30.588 5.828 ( -3.685 10.978 -18.567) 21.882 6.393 ( 2.532 -3.458 8.785) 9.775 6.556 ( 4.854 24.870 -2.341) 25.447 7.162 ( 10.655 20.275 20.151) 30.507 7.472 ( -7.900 8.118 11.265) 15.975 7.902 ( 7.082 -3.399 17.998) 19.637 8.205 ( 0.270 1.367 0.261) 1.417 8.471 ( 3.547 1.102 9.025) 9.760 8.819 ( -12.487 -8.130 31.544) 34.886 9.073 ( 2.857 -0.227 -9.535) 9.957 9.238 ( 7.425 5.392 -15.105) 17.674 9.621 ( -11.731 33.471 -20.833) 41.133 10.056 ( -0.206 -0.422 22.569) 22.574 10.553 ( 10.300 -1.794 -12.466) 16.270 10.752 ( -0.747 -8.235 -11.382) 14.068 10.866 ( -6.550 -7.505 0.218) 9.964 11.468 ( 5.813 -0.220 4.593) 7.412 11.879 ( -2.796 -16.073 -4.341) 16.882 12.002 ( -3.445 5.178 -0.194) 6.223 12.474 ( 0.611 -12.692 -18.701) 22.609 12.592 ( 1.076 9.622 7.065) 11.986 12.905 ( -7.046 0.580 -13.683) 15.402 13.756 ( 15.884 2.241 -2.380) 16.217 14.081 ( -0.992 -22.421 0.272) 22.445 14.389 ( -2.068 13.779 -4.021) 14.502 14.647 ( -9.984 -18.281 2.459) 20.975 14.941 ( 0.954 -19.339 -2.028) 19.469 15.419 ( 4.196 32.086 -6.396) 32.985 16.062 ( -0.039 -25.271 8.360) 26.618 16.409 ( 13.244 -13.878 -1.965) 19.284 16.939 ( -9.308 27.805 2.254) 29.408 17.839 ( 5.825 5.248 6.045) 9.900 18.036 ( -13.240 1.461 1.917) 13.458 18.339 ( 4.456 -2.075 4.509) 6.670 18.406 ( 6.360 0.960 -2.053) 6.752 18.511 ( -4.496 -6.829 4.867) 9.515 18.767 ( -2.230 6.559 1.624) 7.116 20.140 ( 9.400 4.653 -1.217) 10.559 20.167 ( -4.735 -27.789 -13.865) 31.415 20.590 ( -3.883 14.097 -1.412) 14.690 20.768 ( 9.924 -47.898 1.467) 48.937 22.049 ( -6.164 -4.784 -4.775) 9.148 22.133 ( -14.904 2.409 -3.421) 15.480 22.290 ( -5.786 12.228 -5.141) 14.472 22.441 ( -5.844 -5.340 -2.485) 8.297 23.344 ( -0.352 -6.254 0.662) 6.298 23.721 ( 3.192 -0.413 3.377) 4.665 24.031 ( -2.728 -4.290 8.114) 9.575 24.591 ( 1.746 8.777 -7.448) 11.643 25.072 ( 8.278 2.518 0.659) 8.677 27.473 ( 3.112 22.421 -1.326) 22.675 27.918 ( 3.615 4.415 -9.290) 10.902 28.083 ( 17.069 2.435 -7.840) 18.941 28.702 ( -13.601 1.676 -7.997) 15.866 28.952 ( 15.617 6.777 -14.092) 22.100 29.753 ( 5.282 -2.878 -0.481) 6.034 29.892 ( -7.693 -2.239 -1.749) 8.201 30.482 ( -7.219 2.459 3.563) 8.417 30.820 ( -7.261 11.350 -5.040) 14.386 31.460 ( 1.103 32.188 -0.899) 32.220 33.596 ( -4.381 -10.157 3.896) 11.728 34.017 ( 1.666 -22.467 -1.442) 22.575 35.094 ( -1.854 -9.689 1.959) 10.058 36.185 ( 3.699 39.463 12.548) 41.575 37.435 ( -11.431 11.662 17.567) 23.985 39.315 ( 13.429 -48.681 12.013) 51.909 ======================= Grid point 299 (101/126) ======================= q-point: (-0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -0.000 15.141 0.013) 15.141 4.024 ( -0.000 3.053 0.930) 3.192 4.507 ( -0.000 5.349 2.683) 5.984 4.679 ( -0.000 8.024 -5.890) 9.953 4.860 ( -0.000 24.622 10.322) 26.698 5.025 ( -0.000 27.006 21.981) 34.821 5.687 ( -0.000 8.714 -20.556) 22.326 6.344 ( -0.000 18.084 -3.340) 18.390 6.458 ( 0.000 -3.545 7.014) 7.859 6.903 ( -0.000 39.242 29.664) 49.192 7.398 ( 0.000 -1.219 5.679) 5.808 7.941 ( -0.000 4.258 27.163) 27.495 8.209 ( 0.000 -1.835 -12.924) 13.054 8.513 ( 0.000 -0.028 0.753) 0.753 8.725 ( -0.000 1.583 50.478) 50.502 9.099 ( 0.000 -0.223 -9.953) 9.956 9.248 ( -0.000 5.377 -14.079) 15.071 9.296 ( -0.000 9.542 -32.530) 33.900 9.954 ( -0.000 13.119 2.237) 13.308 10.745 ( 0.000 -4.478 -13.520) 14.242 10.755 ( 0.000 -11.894 12.552) 17.292 10.975 ( 0.000 -13.858 2.330) 14.052 11.493 ( -0.000 2.926 7.853) 8.380 11.943 ( -0.000 1.162 0.732) 1.373 12.042 ( 0.000 -16.463 -3.390) 16.808 12.467 ( -0.000 12.006 12.089) 17.038 12.481 ( -0.000 5.120 -16.687) 17.455 13.034 ( 0.000 -23.322 -23.951) 33.430 13.876 ( -0.000 0.490 -1.953) 2.014 13.943 ( -0.000 25.388 -2.052) 25.471 14.557 ( 0.000 -22.796 -0.482) 22.801 14.780 ( 0.000 -22.216 0.834) 22.232 15.077 ( -0.000 28.138 -8.759) 29.470 15.160 ( 0.000 -17.624 -0.499) 17.631 16.374 ( 0.000 -27.514 5.544) 28.067 16.563 ( -0.000 16.268 4.442) 16.864 16.750 ( 0.000 -12.122 -7.278) 14.139 17.775 ( -0.000 17.217 -0.728) 17.232 17.855 ( 0.000 -1.380 5.603) 5.770 18.424 ( -0.000 2.656 -5.864) 6.438 18.457 ( 0.000 -6.518 9.012) 11.122 18.536 ( 0.000 -6.257 4.105) 7.484 18.670 ( -0.000 9.352 3.014) 9.826 20.163 ( -0.000 8.350 0.613) 8.373 20.366 ( -0.000 15.290 -1.978) 15.417 20.495 ( 0.000 -36.041 -10.800) 37.624 21.438 ( 0.000 -52.271 2.162) 52.315 21.899 ( -0.000 7.685 -2.779) 8.172 22.085 ( 0.000 -5.179 -2.467) 5.737 22.107 ( -0.000 14.509 -9.374) 17.274 22.469 ( 0.000 -10.156 -2.621) 10.488 23.412 ( 0.000 -6.592 0.694) 6.629 23.715 ( -0.000 3.402 3.615) 4.964 23.972 ( -0.000 12.703 8.953) 15.541 24.587 ( 0.000 -6.803 -5.965) 9.048 25.105 ( -0.000 3.989 0.174) 3.993 27.232 ( -0.000 24.918 -2.340) 25.028 27.915 ( -0.000 1.875 -7.569) 7.797 28.211 ( -0.000 4.439 -6.774) 8.099 28.553 ( -0.000 2.615 -10.029) 10.365 28.961 ( -0.000 18.805 -15.686) 24.488 29.770 ( 0.000 -1.987 0.537) 2.058 29.879 ( 0.000 -0.355 -1.526) 1.566 30.392 ( -0.000 2.474 4.498) 5.133 30.616 ( -0.000 10.288 -1.873) 10.457 31.156 ( -0.000 25.026 0.220) 25.027 33.675 ( 0.000 -9.318 1.471) 9.434 34.258 ( 0.000 -19.095 2.112) 19.211 35.195 ( 0.000 -12.757 1.521) 12.847 35.817 ( -0.000 34.304 10.794) 35.962 37.215 ( -0.000 13.263 16.799) 21.403 39.936 ( 0.000 -45.673 9.055) 46.562 ======================= Grid point 304 (102/126) ======================= q-point: ( 0.38 -0.62 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -17.423 -0.000 1.657) 17.501 4.187 ( -3.308 -0.000 0.866) 3.420 4.344 ( 12.409 0.000 0.482) 12.418 4.786 ( 10.374 0.000 -10.815) 14.986 5.360 ( -1.414 -0.000 6.547) 6.698 5.877 ( -14.284 -0.000 30.207) 33.414 6.093 ( -2.965 -0.000 -16.232) 16.501 6.215 ( 7.947 0.000 11.354) 13.859 7.060 ( 12.203 0.000 3.754) 12.767 7.272 ( 6.254 0.000 -3.130) 6.994 7.698 ( 16.098 0.000 33.377) 37.057 7.706 ( 2.861 0.000 -5.220) 5.953 8.002 ( 9.226 0.000 1.605) 9.364 8.470 ( -0.642 -0.000 3.639) 3.695 8.896 ( -13.670 -0.000 29.574) 32.580 9.006 ( 3.615 0.000 0.952) 3.738 9.190 ( 11.384 0.000 -6.997) 13.363 9.737 ( 1.020 0.000 32.447) 32.463 10.329 ( 6.126 0.000 -16.903) 17.979 10.461 ( 9.192 0.000 -13.553) 16.376 10.819 ( -5.064 -0.000 -1.862) 5.395 11.229 ( -4.054 -0.000 -21.777) 22.151 11.347 ( -0.413 -0.000 -11.734) 11.741 11.424 ( -7.566 -0.000 -16.391) 18.053 11.925 ( -11.503 -0.000 -1.411) 11.589 12.596 ( 1.806 0.000 5.775) 6.051 12.859 ( 0.293 0.000 -0.174) 0.341 13.011 ( 0.385 0.000 -9.064) 9.073 13.433 ( -20.696 -0.000 -3.591) 21.006 13.520 ( 17.833 0.000 -3.252) 18.127 14.201 ( 12.826 0.000 5.397) 13.915 14.712 ( -20.144 -0.000 -0.045) 20.145 15.057 ( -4.193 -0.000 0.424) 4.215 15.526 ( 21.009 0.000 -0.562) 21.017 15.894 ( -18.906 -0.000 13.276) 23.102 16.206 ( 1.957 0.000 -3.525) 4.032 17.348 ( -1.689 -0.000 9.898) 10.041 18.070 ( 25.792 0.000 -1.360) 25.828 18.199 ( 7.559 0.000 -0.776) 7.599 18.261 ( 7.357 0.000 0.825) 7.403 18.367 ( -17.435 -0.000 -2.397) 17.599 18.616 ( -7.488 -0.000 5.686) 9.403 18.667 ( -5.433 -0.000 -1.647) 5.677 19.674 ( -1.270 -0.000 5.321) 5.471 19.802 ( -18.496 -0.000 -17.608) 25.537 20.125 ( 12.768 0.000 0.552) 12.779 20.821 ( -0.905 -0.000 -2.054) 2.245 22.247 ( -14.633 -0.000 -5.449) 15.615 22.428 ( -24.866 -0.000 -1.747) 24.928 22.478 ( -18.121 -0.000 -4.604) 18.697 22.794 ( -4.149 -0.000 1.418) 4.385 23.236 ( -0.687 -0.000 -0.066) 0.690 23.322 ( 18.373 0.000 -3.519) 18.707 23.964 ( -3.435 -0.000 2.104) 4.028 24.856 ( 2.354 0.000 -3.186) 3.962 24.888 ( 14.155 0.000 2.903) 14.450 27.629 ( 5.967 0.000 -1.730) 6.213 27.700 ( 21.708 0.000 -7.976) 23.127 28.348 ( 13.208 0.000 -4.382) 13.916 28.548 ( 10.607 0.000 -17.667) 20.606 28.995 ( -18.064 -0.000 -6.145) 19.081 29.538 ( 15.608 0.000 -2.102) 15.749 29.981 ( -10.749 -0.000 -0.207) 10.751 30.641 ( -6.175 -0.000 2.977) 6.855 31.008 ( 4.748 0.000 -9.891) 10.972 32.191 ( 12.242 0.000 -3.520) 12.738 33.278 ( -5.982 -0.000 3.195) 6.782 33.707 ( -14.549 -0.000 1.142) 14.594 34.969 ( -0.696 -0.000 0.843) 1.093 37.442 ( 19.150 0.000 11.123) 22.146 37.489 ( 3.732 0.000 21.510) 21.831 37.998 ( -20.743 -0.000 15.640) 25.978 ======================= Grid point 306 (103/126) ======================= q-point: (-0.50 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -10.313 1.963 2.431) 10.776 4.128 ( -3.082 1.096 1.037) 3.431 4.491 ( 6.228 -0.099 1.688) 6.453 4.896 ( 5.838 4.063 -12.149) 14.078 5.309 ( -2.160 3.936 5.529) 7.122 5.616 ( -11.945 5.537 30.603) 33.315 6.013 ( -2.859 4.618 -20.054) 20.777 6.318 ( 3.127 -2.418 10.619) 11.331 7.122 ( 9.379 19.001 -1.843) 21.270 7.352 ( 5.138 2.831 -4.510) 7.400 7.703 ( -1.953 6.278 3.544) 7.469 7.881 ( 13.689 4.685 30.539) 33.793 8.175 ( 2.154 -5.732 6.282) 8.772 8.488 ( 2.746 0.284 7.266) 7.773 8.695 ( -9.547 -0.577 40.381) 41.498 9.068 ( 2.823 -0.122 -8.621) 9.072 9.341 ( 8.378 2.834 -12.848) 15.598 9.792 ( -0.818 -11.899 38.281) 40.096 10.420 ( 0.071 2.464 -4.629) 5.244 10.473 ( -3.627 20.033 -12.090) 23.678 10.625 ( 2.027 1.534 -15.406) 15.614 11.079 ( -2.096 18.613 -30.288) 35.612 11.395 ( 4.694 -9.755 -5.521) 12.152 11.548 ( -0.482 -14.402 -10.560) 17.865 11.810 ( -8.633 -14.854 -10.154) 19.957 12.495 ( 0.602 15.719 1.827) 15.837 12.812 ( -0.295 6.714 6.403) 9.283 13.003 ( -5.944 3.581 -11.412) 13.356 13.375 ( -3.619 -29.076 -6.449) 30.001 13.792 ( 14.434 1.078 -2.309) 14.657 14.328 ( -12.154 -9.015 2.750) 15.380 14.554 ( 6.578 -9.395 1.528) 11.570 14.904 ( -4.026 16.645 1.291) 17.174 15.501 ( -17.565 -19.040 15.530) 30.203 16.019 ( 13.928 17.847 -5.184) 23.224 16.246 ( 12.445 -3.524 -3.231) 13.332 17.367 ( 0.032 0.588 8.083) 8.105 17.957 ( -11.770 14.813 2.866) 19.136 18.171 ( -4.204 13.557 7.337) 15.978 18.356 ( 10.478 3.055 0.199) 10.916 18.384 ( 0.800 -2.011 2.573) 3.362 18.458 ( 2.214 1.601 -1.934) 3.347 18.766 ( -2.442 -12.586 0.493) 12.831 19.659 ( -8.582 -14.278 -19.877) 25.935 19.822 ( 0.807 -29.379 4.003) 29.662 20.283 ( 9.067 3.095 0.600) 9.599 20.799 ( 0.075 4.989 -1.569) 5.231 22.002 ( -9.939 1.556 -3.367) 10.609 22.144 ( -17.860 -8.450 -2.347) 19.897 22.220 ( -12.084 2.284 -4.158) 12.982 22.703 ( 1.635 11.819 -2.006) 12.099 23.238 ( -0.709 -2.916 0.513) 3.045 23.629 ( 12.666 -6.772 -0.132) 14.363 23.908 ( -5.397 -2.500 1.840) 6.226 24.838 ( 2.219 9.261 -4.141) 10.385 25.075 ( 7.363 -1.895 2.302) 7.944 27.707 ( 4.370 2.072 -0.459) 4.858 28.030 ( 19.709 1.591 -7.263) 21.065 28.342 ( 6.620 21.832 -9.886) 24.864 28.707 ( -17.255 -1.379 -6.962) 18.658 28.845 ( 10.326 -13.361 -14.685) 22.378 29.722 ( 5.301 -0.391 0.314) 5.324 29.856 ( -3.614 -0.874 -2.197) 4.319 30.516 ( -7.596 0.808 3.683) 8.480 31.034 ( 1.241 6.385 -9.958) 11.894 32.164 ( 4.408 27.866 -2.988) 28.370 33.314 ( -4.059 -16.787 5.937) 18.263 33.582 ( -5.889 -11.739 -2.925) 13.455 34.973 ( -0.519 -2.343 1.113) 2.645 37.104 ( 4.018 44.353 17.315) 47.782 37.612 ( -10.406 5.189 17.142) 20.714 38.248 ( 8.959 -49.021 13.119) 51.531 ======================= Grid point 307 (104/126) ======================= q-point: (-0.38 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -0.000 4.726 2.373) 5.289 4.083 ( -0.000 2.159 1.334) 2.538 4.541 ( -0.000 0.062 1.985) 1.986 4.878 ( -0.000 7.838 -11.461) 13.885 5.211 ( -0.000 10.218 11.360) 15.279 5.439 ( -0.000 9.989 23.522) 25.555 5.916 ( -0.000 9.229 -21.996) 23.853 6.374 ( 0.000 -3.708 9.999) 10.665 6.926 ( -0.000 31.358 -5.442) 31.826 7.380 ( 0.000 -0.043 0.447) 0.449 7.531 ( -0.000 19.122 18.104) 26.333 8.013 ( -0.000 1.970 40.388) 40.436 8.171 ( 0.000 -1.396 -11.692) 11.775 8.515 ( -0.000 0.232 7.698) 7.701 8.640 ( 0.000 -4.638 38.373) 38.652 9.093 ( 0.000 -0.288 -9.595) 9.599 9.366 ( -0.000 5.328 -15.921) 16.789 9.913 ( -0.000 22.283 3.232) 22.516 9.974 ( -0.000 5.668 17.088) 18.003 10.619 ( 0.000 -17.512 0.815) 17.531 10.672 ( 0.000 -2.630 -14.176) 14.417 10.822 ( -0.000 20.843 -29.004) 35.717 11.541 ( -0.000 1.595 9.058) 9.197 11.651 ( 0.000 -19.954 -7.995) 21.496 11.944 ( 0.000 -12.008 -17.237) 21.007 12.395 ( -0.000 0.361 -7.847) 7.855 12.721 ( -0.000 10.470 12.158) 16.044 12.884 ( -0.000 5.957 -17.210) 18.212 13.725 ( 0.000 -36.499 -5.545) 36.918 13.894 ( -0.000 1.259 -2.030) 2.388 14.342 ( 0.000 -16.861 1.660) 16.942 14.616 ( -0.000 24.908 1.813) 24.974 14.796 ( 0.000 -14.626 -0.831) 14.650 15.635 ( 0.000 -29.748 12.992) 32.461 15.820 ( -0.000 27.678 -3.007) 27.841 16.491 ( 0.000 -8.410 -6.599) 10.690 17.181 ( -0.000 28.267 1.873) 28.329 17.828 ( 0.000 -1.001 5.679) 5.767 17.987 ( -0.000 3.838 13.867) 14.389 18.391 ( -0.000 4.369 2.631) 5.100 18.421 ( 0.000 -3.866 3.660) 5.324 18.471 ( -0.000 1.380 -6.033) 6.189 18.804 ( -0.000 1.323 1.540) 2.030 19.810 ( 0.000 -24.876 -18.656) 31.095 20.285 ( 0.000 -50.552 2.889) 50.635 20.317 ( -0.000 5.498 0.785) 5.553 20.698 ( -0.000 12.092 -1.398) 12.172 21.967 ( 0.000 -3.131 -2.034) 3.734 22.072 ( -0.000 5.423 -4.041) 6.763 22.075 ( 0.000 -11.033 -3.713) 11.641 22.583 ( -0.000 14.507 -4.180) 15.097 23.277 ( 0.000 -5.315 0.657) 5.356 23.777 ( -0.000 2.196 3.706) 4.308 23.910 ( 0.000 -11.025 2.700) 11.351 24.733 ( -0.000 13.006 -5.787) 14.235 25.148 ( 0.000 -0.327 1.578) 1.611 27.685 ( -0.000 10.305 0.400) 10.312 28.079 ( -0.000 18.587 -11.392) 21.801 28.300 ( -0.000 3.421 -5.615) 6.575 28.534 ( 0.000 -2.251 -9.272) 9.542 29.065 ( 0.000 -8.034 -15.248) 17.236 29.733 ( 0.000 -1.384 0.889) 1.645 29.872 ( 0.000 -0.276 -2.219) 2.236 30.436 ( -0.000 1.453 4.137) 4.385 30.913 ( -0.000 14.556 -7.787) 16.507 31.838 ( -0.000 35.614 -1.792) 35.659 33.429 ( 0.000 -12.989 5.713) 14.190 33.768 ( 0.000 -24.918 -3.870) 25.217 35.006 ( 0.000 -5.016 1.543) 5.248 36.663 ( -0.000 43.796 15.386) 46.419 37.448 ( -0.000 8.415 17.068) 19.030 38.875 ( 0.000 -52.122 12.751) 53.659 ======================= Grid point 315 (105/126) ======================= q-point: (-0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 0.000 -0.000 2.932) 2.932 4.107 ( 0.000 -0.000 1.451) 1.451 4.539 ( 0.000 -0.000 2.161) 2.161 4.966 ( 0.000 -0.000 -13.453) 13.453 5.314 ( 0.000 -0.000 3.757) 3.757 5.541 ( -0.000 0.000 32.350) 32.350 6.014 ( -0.000 0.000 -21.949) 21.949 6.329 ( -0.000 0.000 11.218) 11.218 7.285 ( -0.000 0.000 0.793) 0.793 7.425 ( -0.000 0.000 -14.591) 14.591 7.737 ( -0.000 0.000 -0.694) 0.694 8.016 ( 0.000 -0.000 47.667) 47.667 8.158 ( 0.000 -0.000 -3.718) 3.718 8.519 ( -0.000 0.000 8.873) 8.873 8.628 ( -0.000 0.000 47.011) 47.011 9.089 ( 0.000 -0.000 -9.489) 9.489 9.438 ( 0.000 -0.000 -17.193) 17.193 9.700 ( 0.000 -0.000 43.609) 43.609 10.378 ( 0.000 -0.000 1.262) 1.262 10.636 ( -0.000 0.000 -11.387) 11.387 10.646 ( 0.000 -0.000 -15.495) 15.495 11.185 ( 0.000 -0.000 -29.800) 29.800 11.376 ( 0.000 -0.000 -34.879) 34.879 11.528 ( 0.000 -0.000 -13.791) 13.791 11.559 ( 0.000 -0.000 9.422) 9.422 12.608 ( -0.000 0.000 0.089) 0.089 12.847 ( 0.000 -0.000 12.409) 12.409 13.027 ( 0.000 -0.000 -10.775) 10.775 13.113 ( -0.000 0.000 -11.851) 11.851 13.919 ( 0.000 -0.000 -2.369) 2.369 14.140 ( 0.000 -0.000 2.512) 2.512 14.623 ( 0.000 -0.000 -1.186) 1.186 14.993 ( -0.000 0.000 0.972) 0.972 15.170 ( 0.000 -0.000 23.942) 23.942 16.235 ( -0.000 0.000 -2.788) 2.788 16.355 ( 0.000 -0.000 -9.831) 9.831 17.389 ( 0.000 -0.000 12.034) 12.034 17.817 ( 0.000 -0.000 5.707) 5.707 18.378 ( 0.000 -0.000 3.544) 3.544 18.446 ( 0.000 -0.000 5.397) 5.397 18.469 ( -0.000 0.000 4.470) 4.470 18.486 ( 0.000 -0.000 -6.194) 6.194 18.524 ( 0.000 -0.000 -0.227) 0.227 19.510 ( -0.000 0.000 -22.911) 22.911 19.656 ( 0.000 -0.000 5.544) 5.544 20.378 ( 0.000 -0.000 0.864) 0.864 20.838 ( 0.000 -0.000 -1.500) 1.500 21.927 ( 0.000 -0.000 -2.237) 2.237 21.937 ( 0.000 -0.000 -2.565) 2.565 22.140 ( -0.000 0.000 -4.239) 4.239 22.773 ( -0.000 0.000 -1.721) 1.721 23.215 ( 0.000 -0.000 0.709) 0.709 23.755 ( 0.000 -0.000 -3.612) 3.612 23.801 ( 0.000 -0.000 3.745) 3.745 24.910 ( 0.000 -0.000 -5.022) 5.022 25.119 ( 0.000 -0.000 3.426) 3.426 27.753 ( 0.000 -0.000 -0.362) 0.362 28.339 ( 0.000 -0.000 -5.112) 5.112 28.395 ( 0.000 -0.000 -9.278) 9.278 28.585 ( -0.000 0.000 -5.744) 5.744 28.813 ( 0.000 -0.000 -19.113) 19.113 29.717 ( 0.000 -0.000 0.877) 0.877 29.869 ( 0.000 -0.000 -2.520) 2.520 30.452 ( 0.000 -0.000 4.121) 4.121 31.091 ( 0.000 -0.000 -10.790) 10.790 32.385 ( 0.000 -0.000 -3.784) 3.784 33.162 ( 0.000 -0.000 5.423) 5.423 33.457 ( 0.000 -0.000 -1.933) 1.933 34.958 ( -0.000 0.000 0.917) 0.917 37.378 ( 0.000 -0.000 24.779) 24.779 37.761 ( -0.000 0.000 11.407) 11.407 37.846 ( 0.000 -0.000 11.927) 11.927 ======================= Grid point 345 (106/126) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.000 0.000 -4.900) 4.900 3.926 ( 0.000 0.000 -0.940) 0.940 4.046 ( 0.000 0.000 2.006) 2.006 4.317 ( 0.000 0.000 4.508) 4.508 4.597 ( 0.000 0.000 -1.605) 1.605 4.962 ( 0.000 0.000 15.241) 15.241 5.194 ( 0.000 0.000 -8.648) 8.648 5.991 ( 0.000 0.000 -3.274) 3.274 5.994 ( 0.000 0.000 13.396) 13.396 6.505 ( 0.000 0.000 -1.565) 1.565 7.697 ( 0.000 0.000 13.879) 13.879 8.041 ( 0.000 0.000 3.518) 3.518 8.097 ( 0.000 0.000 -18.014) 18.014 8.286 ( 0.000 0.000 1.192) 1.192 8.698 ( 0.000 0.000 -7.138) 7.138 8.939 ( 0.000 0.000 -4.860) 4.860 8.958 ( 0.000 0.000 -3.572) 3.572 9.700 ( 0.000 0.000 -8.264) 8.264 9.938 ( 0.000 0.000 33.409) 33.409 10.750 ( 0.000 0.000 -4.312) 4.312 11.294 ( 0.000 0.000 0.673) 0.673 11.405 ( 0.000 0.000 8.917) 8.917 11.434 ( 0.000 0.000 1.560) 1.560 11.546 ( 0.000 0.000 0.708) 0.708 12.366 ( 0.000 0.000 4.988) 4.988 12.495 ( 0.000 0.000 -2.759) 2.759 12.680 ( 0.000 0.000 -6.210) 6.210 13.161 ( 0.000 0.000 0.273) 0.273 13.342 ( 0.000 0.000 1.435) 1.435 13.465 ( 0.000 0.000 -21.170) 21.170 13.839 ( 0.000 0.000 -0.814) 0.814 15.388 ( 0.000 0.000 0.660) 0.660 15.595 ( 0.000 0.000 -0.660) 0.660 16.031 ( 0.000 0.000 -7.005) 7.005 16.104 ( 0.000 0.000 18.222) 18.222 16.738 ( 0.000 0.000 -2.617) 2.617 16.824 ( 0.000 0.000 -13.599) 13.599 17.653 ( 0.000 0.000 0.596) 0.596 17.973 ( 0.000 0.000 2.038) 2.038 18.093 ( 0.000 0.000 -1.725) 1.725 18.256 ( 0.000 0.000 -1.886) 1.886 18.600 ( 0.000 0.000 0.735) 0.735 18.795 ( 0.000 0.000 1.571) 1.571 19.917 ( 0.000 0.000 0.104) 0.104 20.008 ( 0.000 0.000 2.591) 2.591 21.382 ( 0.000 0.000 0.527) 0.527 21.666 ( 0.000 0.000 -0.553) 0.553 22.142 ( 0.000 0.000 -2.031) 2.031 22.204 ( 0.000 0.000 -0.744) 0.744 22.401 ( 0.000 0.000 -1.179) 1.179 22.670 ( 0.000 0.000 -2.393) 2.393 23.303 ( 0.000 0.000 0.781) 0.781 23.594 ( 0.000 0.000 0.255) 0.255 23.660 ( 0.000 0.000 1.094) 1.094 24.841 ( 0.000 0.000 1.428) 1.428 25.346 ( 0.000 0.000 1.696) 1.696 26.846 ( 0.000 0.000 1.094) 1.094 27.628 ( 0.000 0.000 -2.239) 2.239 27.695 ( 0.000 0.000 -2.734) 2.734 27.977 ( 0.000 0.000 -2.974) 2.974 28.267 ( 0.000 0.000 -5.631) 5.631 29.811 ( 0.000 0.000 -0.423) 0.423 29.880 ( 0.000 0.000 -0.206) 0.206 30.401 ( 0.000 0.000 2.142) 2.142 30.506 ( 0.000 0.000 1.174) 1.174 30.781 ( 0.000 0.000 -0.350) 0.350 33.827 ( 0.000 0.000 -0.289) 0.289 34.775 ( 0.000 0.000 1.254) 1.254 35.112 ( 0.000 0.000 2.207) 2.207 35.734 ( 0.000 0.000 2.167) 2.167 36.961 ( 0.000 0.000 5.422) 5.422 41.050 ( 0.000 0.000 0.138) 0.138 ======================= Grid point 346 (107/126) ======================= q-point: ( 0.12 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 30.465 -22.189 -3.697) 37.870 3.962 ( 3.564 -1.389 -0.919) 3.934 4.187 ( 10.831 -9.565 1.942) 14.580 4.336 ( -0.022 -3.312 3.470) 4.797 4.510 ( -8.649 -0.039 -1.067) 8.715 5.171 ( 17.136 -0.826 11.326) 20.558 5.290 ( 11.771 -5.163 -3.992) 13.459 6.035 ( 4.169 -1.577 -2.772) 5.249 6.231 ( 12.797 -25.112 13.210) 31.127 6.496 ( -1.620 -1.346 -0.712) 2.224 7.633 ( -6.844 0.885 12.337) 14.136 7.962 ( -6.641 -0.186 -9.523) 11.612 8.139 ( 5.311 3.940 -1.180) 6.718 8.380 ( 4.425 -9.492 1.003) 10.521 8.687 ( -2.434 -0.440 -8.302) 8.663 8.917 ( -1.849 0.951 -7.814) 8.086 8.938 ( -2.313 -0.009 -3.653) 4.323 9.621 ( 2.062 13.465 -1.306) 13.685 10.004 ( 3.513 -4.511 25.784) 26.411 10.739 ( 1.269 3.722 -3.845) 5.500 11.196 ( -15.095 0.028 7.851) 17.015 11.317 ( 3.828 3.246 -0.032) 5.019 11.543 ( 4.425 -1.267 5.086) 6.860 11.619 ( 1.850 -7.795 -1.538) 8.158 12.460 ( 1.653 6.472 -2.099) 7.001 12.525 ( 15.713 -2.942 4.149) 16.516 12.609 ( -3.690 17.003 -2.706) 17.608 13.018 ( -2.438 -3.425 -1.425) 4.439 13.341 ( -6.494 10.108 -18.219) 21.824 13.449 ( -19.602 -23.701 -1.953) 30.819 13.855 ( 0.764 -10.519 0.072) 10.547 15.465 ( 10.827 7.828 2.796) 13.650 15.550 ( 1.522 7.762 -3.351) 8.591 15.804 ( 0.141 30.298 -0.454) 30.302 16.291 ( 11.114 -9.442 9.057) 17.167 16.426 ( -31.059 1.711 -1.226) 31.130 16.930 ( -3.251 -19.945 -10.905) 22.963 17.526 ( 3.691 23.311 -0.327) 23.604 18.179 ( -4.989 -17.447 -0.373) 18.150 18.200 ( -5.886 -1.283 -0.976) 6.102 18.241 ( 26.006 0.940 1.087) 26.045 18.632 ( 2.846 -1.456 0.485) 3.234 18.781 ( 0.314 3.110 1.055) 3.299 19.797 ( -15.783 -3.491 -0.100) 16.165 20.019 ( -1.553 -6.059 2.062) 6.586 21.405 ( -4.872 -8.036 1.565) 9.527 21.559 ( -13.555 -0.982 -1.292) 13.652 21.827 ( 2.138 41.708 -3.384) 41.899 22.286 ( 11.251 2.932 -1.371) 11.707 22.605 ( 3.273 -12.756 -0.626) 13.184 22.714 ( 7.669 2.582 -1.745) 8.278 23.355 ( 4.243 -3.964 0.632) 5.841 23.591 ( 1.070 1.114 0.185) 1.556 23.704 ( 4.598 -1.029 0.799) 4.779 24.792 ( -10.179 -6.015 1.346) 11.900 25.261 ( -0.330 15.573 1.358) 15.635 26.764 ( -6.276 -0.706 0.669) 6.351 27.640 ( -6.801 -4.526 -1.928) 8.394 27.737 ( -5.508 -21.645 -2.643) 22.490 28.076 ( 7.366 4.113 -3.567) 9.160 28.295 ( 2.971 -7.261 -4.933) 9.268 29.855 ( -1.618 0.978 -0.014) 1.891 29.890 ( 8.032 -0.553 -1.370) 8.167 30.419 ( 1.462 -1.343 1.973) 2.799 30.605 ( 11.983 -0.563 1.851) 12.139 30.803 ( 1.561 -1.763 -0.765) 2.476 33.797 ( -2.777 0.975 -0.357) 2.965 34.717 ( -3.440 5.773 1.064) 6.804 35.158 ( -1.622 -10.727 2.363) 11.103 35.755 ( 9.390 10.755 2.307) 14.462 37.054 ( 5.181 -10.416 5.560) 12.894 40.845 ( -17.122 12.333 0.932) 21.122 ======================= Grid point 347 (108/126) ======================= q-point: ( 0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 32.654 -16.970 -2.259) 36.870 4.056 ( 5.270 -1.728 -0.958) 5.628 4.337 ( -9.229 -1.105 1.105) 9.360 4.372 ( -3.983 -3.775 -0.539) 5.514 4.568 ( 17.064 -16.246 1.616) 23.616 5.366 ( 10.847 1.937 2.337) 11.264 5.665 ( 21.010 -7.223 5.946) 22.999 6.138 ( 5.377 -2.512 -1.992) 6.260 6.498 ( 1.734 -1.137 0.998) 2.301 6.869 ( 21.320 -34.874 18.997) 45.074 7.485 ( -11.091 -2.185 4.458) 12.151 7.885 ( -1.390 0.177 -8.477) 8.592 8.183 ( 2.986 -0.436 5.019) 5.856 8.529 ( -5.330 -4.866 2.856) 7.762 8.669 ( 1.338 -10.916 -7.195) 13.142 8.851 ( -1.875 6.172 -12.709) 14.252 8.892 ( -0.751 4.365 -8.788) 9.841 9.562 ( 6.070 7.002 1.730) 9.427 10.123 ( 7.105 -2.136 21.020) 22.291 10.718 ( 2.427 5.415 -2.493) 6.437 10.958 ( -15.482 -0.800 8.631) 17.744 11.283 ( -1.821 10.012 -3.178) 10.661 11.633 ( 4.334 -1.986 6.111) 7.751 11.713 ( -0.214 -6.745 -1.565) 6.927 12.282 ( -6.769 14.455 0.591) 15.972 12.395 ( 1.541 10.867 -4.186) 11.746 12.891 ( 17.729 -0.421 5.336) 18.520 13.039 ( 1.617 11.971 -8.846) 14.972 13.113 ( -19.042 -7.892 -7.141) 21.814 13.365 ( -5.505 -24.063 -5.270) 25.241 14.095 ( 0.423 -27.671 0.729) 27.683 15.265 ( -8.986 24.004 -2.434) 25.746 15.459 ( -0.610 24.316 4.661) 24.766 15.606 ( -6.359 14.765 -5.625) 17.032 15.980 ( -2.484 5.328 -0.641) 5.913 16.631 ( 14.730 -12.782 9.555) 21.717 17.040 ( -10.639 -16.825 -8.012) 21.458 17.373 ( 8.996 20.766 -1.371) 22.672 18.072 ( -12.181 -4.281 0.090) 12.911 18.222 ( -9.655 -11.247 0.837) 14.847 18.578 ( 12.327 6.507 1.580) 14.028 18.726 ( -0.491 4.072 0.133) 4.103 18.800 ( 18.677 -3.227 0.155) 18.954 19.588 ( -17.242 -9.529 -0.795) 19.716 20.111 ( -0.602 -15.025 0.986) 15.069 21.262 ( -17.274 3.597 1.405) 17.701 21.355 ( -6.015 10.663 1.334) 12.316 21.459 ( -3.113 20.810 -7.662) 22.393 22.439 ( 13.793 7.737 -2.286) 15.979 22.690 ( 5.909 8.466 -0.227) 10.326 22.870 ( 15.049 1.858 -1.025) 15.198 23.453 ( -1.862 -5.420 0.354) 5.742 23.675 ( 3.743 -13.074 0.208) 13.600 23.808 ( 7.949 1.186 0.686) 8.066 24.655 ( -16.457 -8.374 1.007) 18.492 25.021 ( -3.038 22.542 0.761) 22.759 26.767 ( -1.206 -12.133 -0.170) 12.194 27.585 ( -5.459 -1.995 -1.492) 6.001 27.842 ( -10.905 -21.175 -2.052) 23.906 28.027 ( -1.486 8.608 -5.466) 10.304 28.546 ( 12.278 -11.444 -3.178) 17.083 29.741 ( -8.518 4.288 -1.314) 9.627 30.119 ( 16.644 -3.492 -1.125) 17.044 30.477 ( 1.629 -4.629 1.361) 5.092 30.818 ( 5.443 -3.701 3.706) 7.554 30.899 ( 13.359 -0.240 -2.790) 13.650 33.745 ( -2.675 -1.031 -0.360) 2.889 34.546 ( -6.801 10.987 0.684) 12.939 35.281 ( -3.568 -19.446 2.670) 19.950 35.774 ( 13.294 20.346 2.557) 24.438 37.364 ( 14.093 -19.901 5.852) 25.077 40.284 ( -29.542 21.761 2.750) 36.795 ======================= Grid point 348 (109/126) ======================= q-point: ( 0.38 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( 27.545 -7.664 -1.233) 28.617 4.043 ( -13.180 1.000 -0.521) 13.228 4.239 ( 2.161 -1.853 -1.071) 3.041 4.370 ( -3.451 -3.118 -0.323) 4.662 5.009 ( 15.919 -14.468 1.578) 21.569 5.449 ( 2.524 4.404 3.148) 5.973 6.025 ( 13.906 -7.177 3.434) 16.022 6.229 ( 2.470 -1.799 1.075) 3.240 6.598 ( 9.488 -1.538 3.666) 10.287 7.110 ( -14.011 1.542 13.765) 19.702 7.696 ( 20.659 -15.483 0.087) 25.817 7.971 ( 8.019 -8.934 7.133) 13.964 8.235 ( -3.008 -6.011 8.150) 10.564 8.365 ( -15.371 -4.710 -2.538) 16.275 8.691 ( 0.803 14.565 -11.944) 18.853 8.749 ( -7.072 2.468 -5.601) 9.353 9.057 ( 13.548 -20.485 -14.171) 28.355 9.633 ( 6.145 3.629 -2.556) 7.580 10.273 ( 9.304 -1.279 20.252) 22.323 10.670 ( -5.536 6.445 8.946) 12.338 10.749 ( -6.917 0.084 0.059) 6.918 11.017 ( -10.502 16.232 -6.521) 20.403 11.705 ( 5.394 2.903 4.866) 7.823 11.751 ( -2.242 -4.687 0.017) 5.195 12.210 ( 1.411 -7.400 -0.267) 7.538 12.329 ( 6.293 11.096 -3.939) 13.351 12.693 ( -9.309 14.653 -4.370) 17.901 12.735 ( -23.924 -0.491 -4.535) 24.355 13.490 ( 34.592 -2.154 0.005) 34.659 13.711 ( 3.379 -33.949 -4.359) 34.394 14.390 ( -2.678 -26.129 1.606) 26.315 14.815 ( -8.982 29.804 -4.441) 31.443 15.047 ( -31.697 2.248 1.885) 31.833 15.217 ( -1.548 27.772 -1.205) 27.841 16.206 ( 31.282 13.315 -1.065) 34.014 16.842 ( -19.053 -15.091 4.321) 24.687 17.070 ( 9.046 -9.459 -1.367) 13.159 17.352 ( 9.525 14.523 -1.292) 17.416 17.941 ( -10.324 -6.625 0.928) 12.303 18.117 ( -10.760 0.014 1.151) 10.822 18.602 ( -0.466 -0.111 3.867) 3.897 18.668 ( -0.315 3.827 -1.970) 4.316 19.162 ( 21.985 2.987 0.185) 22.188 19.475 ( -13.145 -12.372 -1.267) 18.096 20.318 ( 2.179 -20.703 -0.016) 20.817 20.929 ( -12.392 13.271 0.052) 18.157 21.132 ( 13.806 34.882 -2.191) 37.579 21.252 ( -22.452 -15.262 -4.502) 27.519 22.538 ( 10.353 8.721 -2.255) 13.724 22.656 ( 1.679 7.599 -0.848) 7.829 23.116 ( 15.486 -0.618 -0.780) 15.518 23.429 ( -3.289 0.877 -0.008) 3.404 23.902 ( -0.576 -17.934 1.265) 17.988 23.914 ( 8.924 2.390 0.710) 9.266 24.490 ( -14.548 -9.541 0.347) 17.401 24.729 ( -3.680 20.831 0.333) 21.156 26.962 ( 4.929 -16.954 -1.038) 17.686 27.472 ( -6.416 6.966 -1.086) 9.532 27.861 ( -8.232 -12.057 -2.276) 14.775 27.918 ( -1.646 5.426 -5.539) 7.926 28.873 ( 14.108 -10.465 -2.532) 17.747 29.509 ( -12.533 7.412 -1.760) 14.667 30.424 ( 17.024 0.481 -0.791) 17.049 30.553 ( -1.216 -7.820 0.406) 7.924 30.910 ( -1.434 -12.492 1.073) 12.619 31.089 ( 11.926 8.881 -1.192) 14.917 33.779 ( 2.282 -7.709 -0.129) 8.041 34.280 ( -9.049 14.515 0.358) 17.109 35.446 ( -6.081 -25.021 2.876) 25.909 35.727 ( 12.062 25.879 2.768) 28.686 37.919 ( 24.849 -25.843 5.982) 36.348 39.505 ( -34.774 26.943 4.527) 44.222 ======================= Grid point 349 (110/126) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( -22.210 2.748 -0.664) 22.390 3.731 ( 22.210 -2.748 -0.664) 22.390 4.321 ( -5.209 -0.678 -0.984) 5.345 4.321 ( 5.209 0.678 -0.984) 5.345 5.331 ( 5.528 -8.418 2.217) 10.312 5.331 ( -5.528 8.418 2.217) 10.312 6.222 ( 0.450 -1.610 3.159) 3.574 6.222 ( -0.450 1.610 3.159) 3.574 6.825 ( -15.493 2.662 5.696) 16.720 6.825 ( 15.493 -2.662 5.696) 16.720 8.044 ( -19.920 -4.848 -1.490) 20.555 8.044 ( 19.920 4.848 -1.490) 20.555 8.256 ( -1.231 -10.180 17.298) 20.109 8.256 ( 1.231 10.180 17.298) 20.109 8.621 ( -6.234 -3.495 -14.600) 16.256 8.621 ( 6.234 3.495 -14.600) 16.256 9.507 ( 7.443 -21.726 -11.400) 25.640 9.507 ( -7.443 21.726 -11.400) 25.640 10.442 ( -5.960 -1.600 20.650) 21.552 10.442 ( 5.960 1.600 20.650) 21.552 10.771 ( -1.604 -6.720 -7.404) 10.126 10.771 ( 1.604 6.720 -7.404) 10.126 11.746 ( -10.395 -14.213 1.693) 17.690 11.746 ( 10.395 14.213 1.693) 17.690 12.369 ( -7.357 -10.287 1.662) 12.756 12.369 ( 7.357 10.287 1.662) 12.756 12.461 ( -11.483 -20.623 -7.572) 24.789 12.461 ( 11.483 20.623 -7.572) 24.789 13.970 ( -22.846 -17.694 -1.626) 28.942 13.970 ( 22.846 17.694 -1.626) 28.942 14.427 ( -3.536 -14.934 -1.495) 15.420 14.427 ( 3.536 14.934 -1.495) 15.420 14.917 ( -5.026 -30.114 0.094) 30.531 14.917 ( 5.026 30.114 0.094) 30.531 16.566 ( -31.467 -13.968 -0.525) 34.432 16.566 ( 31.467 13.968 -0.525) 34.432 17.296 ( -2.138 -15.297 1.435) 15.512 17.296 ( 2.138 15.297 1.435) 15.512 17.947 ( 3.409 -5.865 0.945) 6.849 17.947 ( -3.409 5.865 0.945) 6.849 18.623 ( -3.496 -7.803 1.191) 8.633 18.623 ( 3.496 7.803 1.191) 8.633 19.384 ( -14.911 -9.318 -0.751) 17.599 19.384 ( 14.911 9.318 -0.751) 17.599 20.604 ( 6.225 -19.892 -0.400) 20.847 20.604 ( -6.225 19.892 -0.400) 20.847 21.100 ( -24.141 -28.237 -3.498) 37.314 21.100 ( 24.141 28.237 -3.498) 37.314 22.598 ( -5.017 -2.006 -1.660) 5.652 22.598 ( 5.017 2.006 -1.660) 5.652 23.325 ( -8.162 2.074 -0.461) 8.434 23.325 ( 8.162 -2.074 -0.461) 8.434 23.989 ( -13.509 -16.595 1.439) 21.447 23.989 ( 13.509 16.595 1.439) 21.447 24.496 ( -0.915 -15.850 -0.026) 15.876 24.496 ( 0.915 15.850 -0.026) 15.876 27.239 ( 6.954 -14.904 -1.307) 16.498 27.239 ( -6.954 14.904 -1.307) 16.498 27.867 ( -8.149 -12.613 -3.817) 15.494 27.867 ( 8.149 12.613 -3.817) 15.494 29.204 ( 14.270 -9.379 -2.102) 17.205 29.204 ( -14.270 9.379 -2.102) 17.205 30.574 ( -8.406 -8.976 0.003) 12.298 30.574 ( 8.406 8.976 0.003) 12.298 31.054 ( -3.531 -18.023 -0.639) 18.376 31.054 ( 3.531 18.023 -0.639) 18.376 33.983 ( 7.748 -13.967 0.127) 15.973 33.983 ( -7.748 13.967 0.127) 15.973 35.608 ( -9.125 -27.231 2.895) 28.865 35.608 ( 9.125 27.231 2.895) 28.865 38.669 ( 32.550 -28.064 5.621) 43.344 38.669 ( -32.550 28.064 5.621) 43.344 ======================= Grid point 355 (111/126) ======================= q-point: ( 0.12 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 43.943 0.000 -3.313) 44.068 4.037 ( 6.750 0.000 -1.154) 6.848 4.318 ( -0.182 -0.000 2.868) 2.874 4.336 ( -12.819 -0.000 -0.968) 12.855 4.398 ( 21.350 0.000 2.270) 21.470 5.446 ( 15.259 0.000 -4.877) 16.019 5.592 ( 26.112 0.000 16.198) 30.728 6.136 ( 7.436 0.000 -6.302) 9.747 6.354 ( 22.150 0.000 14.964) 26.731 6.493 ( 4.392 0.000 -0.333) 4.405 7.478 ( -12.831 -0.000 7.423) 14.824 7.855 ( -5.051 -0.000 -6.243) 8.030 8.295 ( 7.326 0.000 -2.522) 7.748 8.377 ( 2.819 0.000 4.204) 5.061 8.566 ( -10.581 -0.000 -6.834) 12.596 8.884 ( -4.227 -0.000 -3.689) 5.611 8.960 ( 5.793 0.000 -11.557) 12.928 9.738 ( 2.067 0.000 -4.289) 4.761 10.042 ( 6.131 0.000 28.620) 29.269 10.786 ( 2.237 0.000 -2.171) 3.117 10.946 ( -15.990 -0.000 6.139) 17.128 11.379 ( 0.331 0.000 -4.162) 4.175 11.548 ( -2.978 -0.000 2.117) 3.654 11.660 ( 9.677 0.000 4.789) 10.798 12.524 ( 2.318 0.000 -2.574) 3.464 12.680 ( -10.611 -0.000 -1.853) 10.772 12.816 ( 9.265 0.000 7.001) 11.612 12.915 ( -12.086 -0.000 -1.257) 12.152 12.972 ( 5.403 0.000 -6.934) 8.791 13.285 ( -8.749 -0.000 -15.949) 18.192 13.782 ( -0.122 -0.000 0.701) 0.712 15.482 ( -6.203 -0.000 0.118) 6.204 15.683 ( -21.837 -0.000 0.489) 21.842 16.013 ( 2.407 0.000 -5.691) 6.179 16.058 ( 6.469 0.000 -1.799) 6.714 16.366 ( 5.794 0.000 23.122) 23.837 16.798 ( 2.302 0.000 -18.239) 18.384 17.768 ( 6.769 0.000 0.759) 6.811 17.936 ( -8.953 -0.000 -1.735) 9.120 18.021 ( -13.519 -0.000 0.036) 13.519 18.671 ( 3.079 0.000 -0.448) 3.111 18.741 ( 31.753 0.000 0.941) 31.767 18.803 ( 0.107 0.000 0.196) 0.224 19.466 ( -21.856 -0.000 -0.896) 21.875 19.934 ( -3.728 -0.000 2.337) 4.400 21.206 ( -15.229 -0.000 1.623) 15.315 21.319 ( -15.652 -0.000 -2.843) 15.908 22.216 ( 5.725 0.000 -1.997) 6.063 22.432 ( 0.631 0.000 -0.853) 1.061 22.532 ( 15.920 0.000 -2.639) 16.137 22.884 ( 11.802 0.000 -1.493) 11.896 23.424 ( 1.875 0.000 0.887) 2.075 23.587 ( -2.080 -0.000 -0.034) 2.080 23.820 ( 10.629 0.000 0.287) 10.633 24.541 ( -16.277 -0.000 0.877) 16.300 25.307 ( -6.072 -0.000 1.636) 6.288 26.646 ( -4.411 -0.000 0.452) 4.434 27.516 ( -3.601 -0.000 0.918) 3.716 27.591 ( -0.657 -0.000 -5.181) 5.223 28.207 ( -3.114 -0.000 -5.242) 6.097 28.342 ( 16.448 0.000 -2.608) 16.653 29.788 ( -7.260 -0.000 -1.330) 7.381 30.063 ( 13.624 0.000 -1.279) 13.684 30.424 ( 0.024 0.000 1.762) 1.762 30.796 ( 5.894 0.000 3.801) 7.014 30.904 ( 17.703 0.000 -2.591) 17.891 33.732 ( -5.699 -0.000 -0.264) 5.706 34.657 ( -7.972 -0.000 1.157) 8.056 35.074 ( -1.846 -0.000 1.685) 2.500 36.051 ( 19.237 0.000 2.926) 19.459 37.093 ( 8.096 0.000 5.698) 9.900 40.522 ( -31.291 -0.000 2.202) 31.369 ======================= Grid point 356 (112/126) ======================= q-point: ( 0.25 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( 37.194 -4.027 -2.380) 37.487 4.085 ( -12.948 2.532 -0.820) 13.219 4.183 ( 4.937 -2.926 -1.488) 5.929 4.318 ( -1.231 -1.426 1.404) 2.350 4.818 ( 26.952 -3.975 2.580) 27.366 5.654 ( 15.133 11.353 2.193) 19.045 5.903 ( 12.653 -4.256 6.680) 14.927 6.216 ( 4.128 0.388 -1.042) 4.275 6.625 ( 17.435 5.903 4.205) 18.882 6.971 ( 26.237 -22.033 18.357) 38.869 7.276 ( -8.462 -5.386 -2.170) 10.263 7.838 ( 0.616 -4.113 -2.866) 5.051 8.222 ( -18.390 -0.705 1.348) 18.452 8.354 ( 3.202 5.995 -3.509) 7.649 8.622 ( 6.936 -11.455 -1.645) 13.492 8.800 ( -5.331 1.651 -4.391) 7.101 9.058 ( 8.932 6.118 -17.232) 20.351 9.723 ( 4.064 7.149 3.379) 8.891 10.197 ( 8.092 -5.982 23.670) 25.720 10.704 ( -14.978 -0.853 5.695) 16.047 10.807 ( 2.393 3.526 -0.903) 4.356 11.306 ( -6.351 6.877 -7.185) 11.800 11.502 ( -7.056 -6.458 0.406) 9.574 11.839 ( 11.725 0.406 4.790) 12.673 12.246 ( -21.314 7.450 -0.543) 22.585 12.548 ( 5.425 6.114 -1.427) 8.298 12.635 ( -16.250 5.759 -1.128) 17.277 13.045 ( 0.815 -18.576 -3.632) 18.945 13.105 ( -6.862 2.664 -12.517) 14.521 13.436 ( 36.065 -1.931 0.525) 36.121 13.892 ( 3.499 -14.802 0.860) 15.234 15.092 ( -40.930 1.458 0.751) 40.962 15.301 ( -9.203 12.078 -1.234) 15.235 15.822 ( 0.491 26.758 -0.757) 26.773 16.440 ( 13.528 -3.751 3.543) 14.479 16.455 ( 5.519 -9.454 3.730) 11.565 16.921 ( 6.791 -3.840 -4.562) 9.037 17.685 ( 2.663 13.793 -2.216) 14.221 17.819 ( -12.094 -3.719 0.949) 12.688 17.981 ( -2.268 -10.923 0.261) 11.159 18.680 ( -1.720 6.730 2.685) 7.447 18.748 ( -1.507 4.171 -3.324) 5.542 19.206 ( 2.809 -5.989 -0.311) 6.623 19.216 ( 8.559 -4.686 -0.684) 9.782 19.936 ( -2.750 -11.226 1.682) 11.680 20.930 ( -24.000 -6.813 0.317) 24.950 21.079 ( -13.629 1.149 -2.762) 13.954 22.000 ( 9.417 38.919 -2.119) 40.098 22.668 ( 0.944 -15.738 -0.349) 15.770 22.718 ( 9.964 5.477 -3.258) 11.828 23.074 ( 10.528 -2.285 -0.979) 10.818 23.369 ( -5.862 -0.643 0.008) 5.897 23.554 ( -8.115 -8.217 -0.206) 11.551 24.023 ( 16.288 2.699 0.574) 16.520 24.317 ( -14.733 -5.185 0.519) 15.627 25.089 ( -11.578 10.381 1.397) 15.613 26.714 ( 8.672 -5.914 -0.727) 10.522 27.517 ( -2.426 -6.852 1.562) 7.435 27.633 ( 4.384 0.895 -5.207) 6.865 28.117 ( -0.770 7.312 -4.989) 8.885 28.660 ( 16.586 -7.659 -2.419) 18.428 29.623 ( -11.644 2.908 -1.784) 12.133 30.320 ( 15.037 -5.362 -1.471) 16.032 30.420 ( -2.980 -3.674 1.092) 4.855 30.842 ( 1.986 1.373 1.394) 2.788 31.229 ( 21.863 3.588 -0.692) 22.166 33.648 ( -5.939 -3.626 -0.205) 6.961 34.476 ( -12.076 3.873 0.974) 12.719 35.088 ( -2.241 -8.029 1.575) 8.484 36.276 ( 21.484 21.315 3.390) 30.454 37.375 ( 14.903 -21.139 5.883) 26.525 39.905 ( -38.852 9.792 3.987) 40.265 ======================= Grid point 357 (113/126) ======================= q-point: ( 0.38 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( 27.140 -1.513 -1.362) 27.216 3.789 ( -19.445 2.389 -0.494) 19.597 4.300 ( -2.686 -1.055 0.305) 2.902 4.324 ( 8.363 -0.300 -1.972) 8.598 5.243 ( 21.338 -0.460 3.389) 21.610 5.630 ( 3.353 17.152 1.858) 17.575 6.150 ( 10.982 -4.246 2.497) 12.036 6.261 ( 1.534 0.986 3.950) 4.350 6.852 ( 19.698 6.995 5.403) 21.590 6.937 ( -11.732 6.410 5.856) 14.595 7.835 ( 9.883 -22.747 11.478) 27.329 7.910 ( -15.169 -10.074 -0.545) 18.218 7.977 ( 12.124 -9.318 0.744) 15.309 8.374 ( 7.713 6.676 -0.098) 10.201 8.683 ( -5.269 4.315 -6.994) 9.762 8.828 ( 4.648 -1.473 3.535) 6.022 9.123 ( 10.389 0.798 -25.907) 27.924 9.756 ( 4.736 3.371 4.827) 7.557 10.381 ( 6.042 -3.439 22.848) 23.883 10.508 ( -9.975 -1.426 5.582) 11.519 10.766 ( -1.780 6.425 -0.114) 6.668 11.022 ( -10.510 14.949 -9.353) 20.528 11.465 ( -9.490 -10.997 -0.531) 14.536 11.969 ( -0.532 0.973 2.005) 2.291 12.021 ( -6.806 -13.941 -4.556) 16.169 12.328 ( -9.369 9.334 0.357) 13.229 12.596 ( 10.315 9.218 1.923) 13.967 12.877 ( -0.090 15.746 -9.620) 18.452 13.378 ( -1.219 -30.528 -4.214) 30.841 14.062 ( 39.508 -2.115 0.179) 39.565 14.160 ( 3.890 -18.453 0.686) 18.871 14.479 ( -33.693 -5.302 0.630) 34.114 14.946 ( -9.887 24.449 -1.822) 26.435 15.541 ( -0.232 26.201 0.347) 26.205 16.286 ( -26.378 -12.104 0.125) 29.023 16.841 ( 21.265 9.503 0.002) 23.291 17.032 ( 4.237 -7.475 3.304) 9.205 17.600 ( -0.512 8.896 -0.111) 8.911 17.818 ( 6.111 -4.905 -0.537) 7.854 18.028 ( 1.596 0.594 0.790) 1.877 18.484 ( -9.792 0.950 1.701) 9.984 18.731 ( 0.911 2.579 -1.425) 3.084 19.165 ( -9.780 -12.156 -1.476) 15.671 19.550 ( 19.970 5.644 0.280) 20.755 20.103 ( 0.553 -23.054 0.384) 23.064 20.623 ( -28.414 -15.178 -2.184) 32.288 20.874 ( -8.366 5.264 -1.521) 10.001 21.797 ( 15.904 35.220 -2.538) 38.728 22.651 ( -8.318 4.816 -0.911) 9.655 22.718 ( -0.217 7.398 -2.458) 7.799 23.243 ( 5.453 -4.655 -0.658) 7.200 23.307 ( -11.354 -4.534 -0.528) 12.237 23.545 ( -9.726 -23.013 0.590) 24.991 24.205 ( -2.811 -5.113 2.237) 6.249 24.263 ( 14.982 4.288 -0.973) 15.614 24.810 ( -7.268 11.638 0.613) 13.734 26.991 ( 15.696 -7.648 -1.669) 17.540 27.543 ( 0.935 3.570 3.028) 4.774 27.651 ( 0.592 2.017 -7.090) 7.395 28.089 ( 7.866 6.663 -4.442) 11.225 29.004 ( 16.165 -8.186 -2.029) 18.233 29.370 ( -14.333 5.642 -2.002) 15.534 30.392 ( -7.681 -6.904 0.719) 10.352 30.631 ( 12.797 -8.690 -2.158) 15.618 30.826 ( -1.530 2.275 1.024) 2.926 31.427 ( 14.129 15.046 -0.746) 20.653 33.672 ( -1.268 -13.276 0.005) 13.337 34.209 ( -14.086 6.415 0.557) 15.488 35.162 ( -3.499 -13.740 1.767) 14.288 36.272 ( 16.404 33.523 3.750) 37.509 37.991 ( 24.146 -33.972 5.768) 42.076 39.145 ( -38.642 15.806 5.381) 42.095 ======================= Grid point 358 (114/126) ======================= q-point: (-0.50 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.429 ( -21.131 5.117 -0.352) 21.745 4.042 ( 17.049 0.718 -0.614) 17.075 4.258 ( -1.942 0.025 -0.371) 1.977 4.436 ( 6.953 2.736 -2.085) 7.758 5.372 ( -2.280 13.604 6.214) 15.129 5.510 ( 6.941 11.952 -3.255) 14.200 6.183 ( -5.493 6.560 6.167) 10.547 6.300 ( 5.877 4.802 0.893) 7.642 6.682 ( -10.200 7.183 5.083) 13.471 7.104 ( 18.162 2.702 10.118) 20.965 7.654 ( -14.888 -9.843 -10.274) 20.594 8.048 ( -3.567 -9.003 14.798) 17.685 8.406 ( 13.228 -1.208 8.940) 16.011 8.442 ( 7.903 5.506 14.781) 17.642 8.581 ( 3.549 5.936 -17.025) 18.376 8.793 ( 4.621 10.621 -7.352) 13.719 9.391 ( 3.403 -14.556 -14.179) 20.603 9.627 ( -7.063 22.077 -9.241) 24.953 10.290 ( -9.493 0.600 14.192) 17.085 10.546 ( 5.505 -2.766 20.950) 21.837 10.660 ( -5.015 -3.068 -4.136) 7.188 10.889 ( 6.142 1.651 -6.800) 9.310 11.440 ( -9.483 -12.592 0.443) 15.770 11.943 ( -8.182 -14.181 -4.443) 16.964 12.070 ( -0.068 5.289 -1.271) 5.440 12.246 ( 1.184 -10.392 -1.258) 10.534 12.531 ( -1.754 14.519 -1.603) 14.713 12.940 ( 24.693 9.978 -2.570) 26.757 13.457 ( -22.820 -8.421 -1.878) 24.396 14.145 ( -7.157 -24.193 -1.315) 25.264 14.453 ( -1.011 33.134 -2.114) 33.217 14.592 ( 6.609 -26.767 1.430) 27.607 14.734 ( 27.654 -0.835 -2.108) 27.746 15.258 ( -2.944 19.557 0.244) 19.778 15.974 ( -21.931 -5.772 -0.901) 22.696 16.837 ( -14.302 -13.458 2.199) 19.761 17.311 ( 22.243 12.778 1.542) 25.699 17.379 ( -7.879 14.973 -0.303) 16.922 18.038 ( 12.407 -3.759 2.300) 13.167 18.075 ( 9.861 3.711 0.052) 10.536 18.430 ( -6.982 -11.806 0.341) 13.721 18.709 ( 0.456 2.868 1.274) 3.171 19.086 ( -13.189 -4.751 -0.404) 14.025 19.728 ( 14.590 10.444 -0.248) 17.945 20.366 ( -14.634 -28.998 -4.886) 32.846 20.499 ( -1.993 -27.690 0.012) 27.762 20.685 ( -4.697 11.704 -0.736) 12.633 21.749 ( 19.130 26.713 -2.819) 32.977 22.434 ( -12.619 0.863 -1.320) 12.717 22.588 ( -9.267 1.665 -1.549) 9.542 23.069 ( -22.501 -5.320 -0.656) 23.130 23.349 ( 1.503 -5.355 -0.221) 5.566 23.687 ( -1.708 -14.883 1.175) 15.027 24.260 ( -1.363 -9.827 4.670) 10.966 24.395 ( 7.238 10.492 -3.302) 13.168 24.685 ( 8.581 7.887 -0.058) 11.655 27.317 ( 13.999 -1.842 0.250) 14.122 27.415 ( 4.447 18.806 -2.978) 19.553 27.695 ( 0.278 -7.970 -3.834) 8.849 28.198 ( 16.207 10.752 -4.130) 19.883 29.066 ( -15.023 7.242 -2.257) 16.830 29.335 ( 14.745 -7.828 -1.622) 16.773 30.307 ( -13.421 -7.431 -0.041) 15.341 30.726 ( -1.991 7.387 0.473) 7.665 30.872 ( 0.727 -10.007 -1.450) 10.137 31.353 ( 5.193 24.829 -0.511) 25.372 33.879 ( 1.149 -17.508 1.596) 17.618 33.939 ( -9.021 1.922 -1.287) 9.313 35.258 ( -5.292 -16.853 1.910) 17.767 36.111 ( 11.184 36.229 3.886) 38.115 38.399 ( -31.680 18.120 6.242) 37.026 38.800 ( 27.923 -37.955 5.002) 47.384 ======================= Grid point 359 (115/126) ======================= q-point: (-0.38 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( -20.381 11.789 -0.564) 23.552 4.106 ( -3.020 2.860 -0.501) 4.190 4.352 ( 11.118 0.188 -0.056) 11.119 4.480 ( 4.461 5.636 -1.917) 7.439 5.061 ( -7.081 26.418 1.899) 27.417 5.438 ( -3.650 7.783 -0.946) 8.649 5.900 ( -15.058 14.413 8.730) 22.599 6.262 ( -0.070 10.040 -2.837) 10.433 6.525 ( -3.083 1.431 3.470) 4.858 7.303 ( 8.419 3.660 19.422) 21.482 7.649 ( 4.932 -0.001 -12.180) 13.141 7.915 ( -9.948 11.545 19.104) 24.438 8.383 ( 0.970 11.625 8.245) 14.285 8.503 ( 2.522 -2.423 -5.994) 6.939 8.714 ( 12.358 1.992 -10.749) 16.499 8.841 ( 5.552 0.722 -5.589) 7.911 9.071 ( -15.734 24.078 -8.646) 30.035 9.494 ( -6.770 -2.365 -5.987) 9.342 10.149 ( -7.715 2.062 15.188) 17.159 10.600 ( -2.919 -4.801 -2.623) 6.201 10.847 ( 10.831 -16.441 11.159) 22.630 11.059 ( 9.780 -4.630 0.301) 10.825 11.459 ( -4.035 -12.620 0.483) 13.258 11.954 ( -0.125 12.749 0.555) 12.762 12.029 ( -4.407 -17.958 -3.735) 18.864 12.355 ( -0.684 9.722 -2.628) 10.095 12.487 ( 2.972 -22.525 -6.881) 23.740 13.038 ( -22.573 4.468 1.327) 23.049 13.303 ( 26.839 7.048 -2.545) 27.866 14.002 ( -5.021 33.791 -2.206) 34.233 14.489 ( 1.777 -36.116 -1.394) 36.187 14.818 ( 3.981 30.003 -2.690) 30.385 14.978 ( 7.186 -22.197 1.606) 23.387 15.251 ( -8.192 -18.636 -2.830) 20.553 15.898 ( 15.026 -1.483 0.011) 15.099 16.807 ( -13.358 -23.365 1.036) 26.934 16.949 ( -15.946 17.669 2.060) 23.889 17.509 ( 16.621 18.250 -1.126) 24.710 18.170 ( 9.406 3.969 0.472) 10.220 18.303 ( 12.618 -2.519 2.064) 13.032 18.411 ( -12.423 -9.190 0.130) 15.453 18.699 ( 0.557 0.620 2.038) 2.201 18.860 ( -14.515 2.209 0.794) 14.703 19.827 ( 14.325 11.921 -0.417) 18.641 20.467 ( -5.925 4.151 -1.110) 7.319 20.484 ( -9.618 -28.490 -4.374) 30.386 20.956 ( 16.069 -26.997 0.047) 31.418 21.782 ( 15.045 20.046 -2.855) 25.226 22.272 ( -11.102 -5.302 -1.356) 12.377 22.416 ( -16.417 -8.357 -0.672) 18.434 22.778 ( -21.150 -7.173 -0.837) 22.349 23.419 ( 0.466 -5.359 0.171) 5.382 23.763 ( -1.164 -3.467 1.023) 3.797 24.151 ( -1.466 22.460 3.205) 22.735 24.502 ( -0.559 -21.503 -1.667) 21.575 24.835 ( 15.503 6.549 -0.146) 16.830 27.158 ( 1.139 23.440 -0.561) 23.475 27.618 ( 13.931 1.198 -3.004) 14.301 27.815 ( 4.468 -7.974 -2.709) 9.533 28.330 ( 18.937 18.074 -4.465) 26.556 28.757 ( -13.797 7.839 -2.721) 16.101 29.621 ( 11.605 -6.209 -1.174) 13.214 30.122 ( -16.963 -3.507 -0.558) 17.331 30.594 ( -5.169 5.491 0.930) 7.598 30.855 ( -10.051 -0.605 -0.673) 10.091 31.136 ( 1.683 22.958 -0.076) 23.020 33.761 ( -5.159 0.011 0.057) 5.159 34.195 ( 4.845 -21.225 -0.023) 21.771 35.348 ( -6.601 -17.497 1.946) 18.802 35.870 ( 6.624 34.566 3.809) 35.401 37.788 ( -20.637 18.157 6.195) 28.177 39.634 ( 25.033 -37.963 3.886) 45.639 ======================= Grid point 360 (116/126) ======================= q-point: (-0.25 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -15.692 24.726 -1.304) 29.314 4.015 ( -3.269 3.276 -0.568) 4.663 4.443 ( 2.292 6.699 1.347) 7.207 4.513 ( 6.721 0.781 -1.995) 7.054 4.632 ( -6.990 30.141 1.122) 30.961 5.275 ( -5.578 7.555 0.501) 9.405 5.492 ( -13.998 14.495 7.508) 21.504 6.132 ( -2.464 8.337 -3.871) 9.517 6.506 ( 0.785 1.405 0.603) 1.718 7.097 ( -4.200 44.981 22.943) 50.669 7.608 ( 0.461 0.501 11.690) 11.710 7.877 ( 4.881 -5.239 -15.310) 16.901 8.259 ( 0.883 13.041 11.652) 17.510 8.567 ( -1.225 0.591 -1.869) 2.312 8.656 ( -7.638 2.137 -17.226) 18.964 8.892 ( 7.815 0.510 -8.115) 11.278 8.937 ( 3.023 0.286 -4.227) 5.205 9.402 ( -6.001 -3.995 1.156) 7.301 10.033 ( -4.762 -0.018 18.290) 18.899 10.620 ( -1.823 -6.277 -4.517) 7.945 11.131 ( 3.707 -10.952 5.200) 12.678 11.229 ( 8.733 -2.132 10.887) 14.119 11.556 ( -0.058 -4.670 1.734) 4.982 11.799 ( -4.465 7.626 -6.100) 10.738 12.179 ( 0.336 -16.155 0.056) 16.158 12.326 ( 2.347 -3.087 -3.208) 5.033 12.622 ( -11.846 4.192 3.448) 13.031 12.860 ( 1.141 -22.573 -11.407) 25.317 13.503 ( 5.696 26.031 -4.873) 27.089 13.719 ( 11.949 9.044 -1.510) 15.062 14.455 ( 1.810 37.200 1.004) 37.257 14.975 ( 1.508 -40.656 -4.335) 40.914 15.164 ( -14.300 -18.401 1.384) 23.346 15.306 ( 0.978 -17.342 -2.215) 17.511 16.343 ( 27.019 -4.051 -0.943) 27.337 16.542 ( -10.711 14.040 3.217) 17.949 16.940 ( -6.147 -28.990 -0.775) 29.645 17.454 ( 6.290 24.574 -2.363) 25.476 18.169 ( -21.166 -3.944 1.582) 21.588 18.268 ( 4.503 3.170 -1.295) 5.657 18.474 ( 9.425 6.178 1.463) 11.364 18.679 ( -3.638 3.007 2.155) 5.188 18.700 ( -2.581 -2.728 0.915) 3.865 19.940 ( 13.878 9.401 -0.044) 16.762 20.250 ( -3.189 14.414 0.364) 14.767 20.829 ( -4.177 -46.588 -3.285) 46.890 21.497 ( 22.283 -11.917 0.156) 25.270 21.751 ( 6.098 18.051 -3.041) 19.294 22.180 ( -8.528 -6.060 -1.055) 10.515 22.285 ( -19.875 -24.503 0.085) 31.551 22.607 ( -10.236 -8.084 -1.373) 13.116 23.483 ( 0.833 -4.682 0.299) 4.765 23.740 ( -1.913 1.992 0.986) 2.932 23.844 ( -2.525 27.950 1.119) 28.086 24.752 ( -0.237 -25.135 1.475) 25.179 24.969 ( 9.495 6.334 -0.795) 11.441 26.956 ( 1.860 17.864 -0.438) 17.966 27.744 ( 6.673 3.873 -2.619) 8.148 27.979 ( 6.755 -2.505 -2.363) 7.582 28.353 ( 12.184 27.088 -4.151) 29.991 28.479 ( -9.377 8.276 -4.269) 13.215 29.811 ( 5.371 -2.952 -0.214) 6.132 29.899 ( -11.540 -0.441 -0.945) 11.587 30.471 ( -3.882 3.171 1.556) 5.249 30.639 ( -11.887 3.111 0.341) 12.292 30.950 ( 0.363 14.493 0.107) 14.498 33.749 ( -0.087 -3.732 -0.442) 3.759 34.466 ( 2.845 -17.467 0.475) 17.703 35.430 ( -5.423 -16.242 1.984) 17.238 35.599 ( 2.805 29.323 3.423) 29.656 37.371 ( -8.971 16.492 5.921) 19.686 40.345 ( 15.253 -33.483 2.262) 36.863 ======================= Grid point 361 (117/126) ======================= q-point: (-0.12 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -0.000 36.465 -2.651) 36.561 3.955 ( -0.000 2.592 -0.670) 2.677 4.274 ( -0.000 22.383 1.484) 22.432 4.389 ( -0.000 6.150 2.262) 6.552 4.578 ( 0.000 -1.028 -1.472) 1.796 5.108 ( -0.000 11.704 12.211) 16.914 5.259 ( -0.000 7.034 -4.944) 8.597 6.038 ( -0.000 4.823 -3.780) 6.128 6.450 ( -0.000 21.062 6.458) 22.030 6.581 ( -0.000 24.729 9.950) 26.656 7.658 ( 0.000 -3.989 13.390) 13.972 7.977 ( 0.000 -5.866 -16.562) 17.570 8.143 ( -0.000 9.548 8.837) 13.010 8.443 ( -0.000 9.631 1.295) 9.718 8.675 ( 0.000 -4.209 -16.704) 17.226 8.947 ( -0.000 0.820 -5.908) 5.964 8.959 ( -0.000 0.174 -3.703) 3.707 9.448 ( 0.000 -12.932 2.212) 13.120 9.999 ( -0.000 0.249 22.039) 22.040 10.674 ( 0.000 -6.064 -4.662) 7.649 11.225 ( 0.000 -6.529 0.779) 6.575 11.371 ( 0.000 -1.086 18.218) 18.251 11.499 ( -0.000 4.944 1.858) 5.282 11.686 ( -0.000 7.557 -9.201) 11.907 12.358 ( 0.000 -13.644 -3.237) 14.023 12.439 ( -0.000 6.778 4.772) 8.289 12.460 ( 0.000 -15.945 -0.547) 15.954 13.083 ( 0.000 -4.863 -2.833) 5.628 13.291 ( -0.000 4.641 -17.709) 18.307 13.840 ( -0.000 0.110 -0.825) 0.832 14.036 ( -0.000 40.385 -0.075) 40.385 15.214 ( 0.000 -15.438 0.509) 15.447 15.424 ( 0.000 -39.052 -1.708) 39.090 15.470 ( 0.000 -11.267 -0.483) 11.278 16.292 ( -0.000 10.408 3.071) 10.851 16.683 ( 0.000 -4.758 -1.401) 4.960 17.199 ( 0.000 -10.877 -1.398) 10.967 17.231 ( -0.000 8.508 -4.516) 9.633 17.962 ( 0.000 -0.934 2.054) 2.256 18.285 ( -0.000 2.424 -1.925) 3.095 18.417 ( -0.000 16.855 0.482) 16.862 18.627 ( -0.000 2.082 1.539) 2.589 18.730 ( 0.000 -5.480 1.541) 5.692 19.998 ( -0.000 6.893 0.138) 6.894 20.086 ( -0.000 8.233 1.352) 8.344 21.298 ( 0.000 -44.687 -0.109) 44.687 21.603 ( -0.000 13.843 -3.499) 14.278 21.723 ( -0.000 5.049 -0.646) 5.090 22.158 ( 0.000 -4.054 -0.784) 4.129 22.439 ( 0.000 -29.933 -0.010) 29.933 22.608 ( 0.000 -5.613 -1.536) 5.819 23.509 ( -0.000 26.976 0.229) 26.977 23.545 ( 0.000 -4.407 0.292) 4.417 23.692 ( -0.000 2.761 1.056) 2.956 24.940 ( -0.000 2.531 3.771) 4.542 25.052 ( 0.000 -19.321 -1.649) 19.391 26.842 ( -0.000 7.095 0.122) 7.096 27.763 ( -0.000 4.081 -2.467) 4.769 28.016 ( -0.000 3.515 -2.799) 4.493 28.115 ( -0.000 32.560 -1.910) 32.616 28.327 ( -0.000 6.077 -6.432) 8.849 29.803 ( 0.000 -0.710 -0.142) 0.724 29.872 ( 0.000 -0.724 -0.377) 0.816 30.418 ( -0.000 1.474 1.948) 2.442 30.513 ( -0.000 1.128 0.665) 1.310 30.839 ( -0.000 7.023 0.022) 7.023 33.794 ( 0.000 -3.251 -0.516) 3.291 34.647 ( 0.000 -11.995 0.901) 12.028 35.345 ( -0.000 21.246 3.147) 21.478 35.548 ( 0.000 -14.353 1.783) 14.463 37.142 ( -0.000 14.122 5.654) 15.211 40.783 ( 0.000 -24.461 0.985) 24.480 ======================= Grid point 364 (118/126) ======================= q-point: ( 0.25 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( 29.582 0.000 -1.820) 29.638 3.818 ( -19.211 -0.000 -0.546) 19.219 4.287 ( -1.711 -0.000 0.920) 1.943 4.319 ( 10.163 0.000 -2.281) 10.416 5.249 ( 26.674 0.000 4.226) 27.007 5.892 ( -3.031 -0.000 0.809) 3.137 6.061 ( 21.590 0.000 3.398) 21.856 6.270 ( 2.705 0.000 4.321) 5.098 6.997 ( 0.314 0.000 7.716) 7.722 7.185 ( 14.433 0.000 -8.188) 16.594 7.280 ( 32.746 0.000 22.559) 39.765 7.813 ( -27.085 -0.000 -5.092) 27.560 7.862 ( 5.553 0.000 0.322) 5.562 8.507 ( 5.674 0.000 0.412) 5.689 8.659 ( 7.707 0.000 -2.056) 7.977 8.741 ( -2.799 -0.000 -6.944) 7.487 9.260 ( 11.211 0.000 -20.600) 23.453 9.816 ( 2.807 0.000 11.152) 11.500 10.287 ( 8.505 0.000 26.331) 27.670 10.479 ( -12.502 -0.000 1.478) 12.589 10.861 ( 1.412 0.000 -0.819) 1.633 11.233 ( -8.650 -0.000 -10.465) 13.577 11.332 ( -9.995 -0.000 -1.608) 10.124 11.806 ( -28.830 -0.000 -2.838) 28.970 11.992 ( 5.929 0.000 1.035) 6.018 12.632 ( -0.355 -0.000 3.143) 3.163 12.714 ( 7.949 0.000 0.387) 7.958 12.864 ( 0.556 0.000 -4.567) 4.601 13.058 ( -3.139 -0.000 -11.300) 11.728 13.908 ( 8.474 0.000 1.246) 8.565 14.028 ( 39.351 0.000 0.135) 39.351 14.454 ( -39.696 -0.000 0.641) 39.702 15.236 ( -7.746 -0.000 -0.932) 7.802 15.948 ( -27.045 -0.000 3.959) 27.333 16.053 ( 2.915 0.000 -2.320) 3.726 16.870 ( -13.022 -0.000 5.760) 14.239 17.037 ( 35.631 0.000 -0.806) 35.640 17.618 ( -7.502 -0.000 3.200) 8.156 17.772 ( 5.856 0.000 -6.350) 8.639 18.025 ( 8.632 0.000 0.679) 8.659 18.731 ( -1.069 -0.000 1.345) 1.718 18.759 ( -2.631 -0.000 -0.929) 2.790 18.842 ( -15.317 -0.000 -3.734) 15.766 19.611 ( 21.612 0.000 0.664) 21.622 19.822 ( -2.972 -0.000 1.794) 3.472 20.458 ( -30.211 -0.000 -2.356) 30.303 20.916 ( -8.170 -0.000 -1.357) 8.282 22.419 ( -2.163 -0.000 -0.705) 2.275 22.575 ( 16.940 0.000 -1.597) 17.015 22.820 ( -2.313 -0.000 -2.986) 3.777 23.169 ( 1.715 0.000 0.599) 1.816 23.206 ( -11.406 -0.000 -1.135) 11.462 23.254 ( -20.713 -0.000 -0.841) 20.730 24.123 ( -6.824 -0.000 0.661) 6.856 24.339 ( 20.536 0.000 0.656) 20.546 24.940 ( -11.088 -0.000 0.819) 11.118 26.914 ( 18.943 0.000 -1.730) 19.022 27.469 ( 1.410 0.000 -0.271) 1.436 27.816 ( 13.789 0.000 -2.501) 14.014 28.137 ( -0.050 -0.000 -5.686) 5.687 28.910 ( 19.248 0.000 -1.815) 19.334 29.432 ( -14.586 -0.000 -1.953) 14.716 30.314 ( -7.661 -0.000 0.834) 7.706 30.502 ( 12.143 0.000 -1.675) 12.258 30.881 ( 0.787 0.000 0.457) 0.910 31.606 ( 21.566 0.000 -0.651) 21.576 33.511 ( -7.465 -0.000 -0.080) 7.465 34.268 ( -16.147 -0.000 1.075) 16.182 35.023 ( -1.311 -0.000 1.009) 1.654 36.826 ( 27.378 0.000 3.708) 27.628 37.432 ( 12.466 0.000 6.190) 13.918 39.317 ( -40.849 -0.000 5.254) 41.186 ======================= Grid point 365 (119/126) ======================= q-point: ( 0.38 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( -19.534 1.649 -0.101) 19.604 4.060 ( 20.379 0.619 -1.058) 20.415 4.251 ( -2.686 -0.355 0.281) 2.724 4.477 ( 9.787 1.010 -2.947) 10.271 5.518 ( 6.669 3.101 8.945) 11.580 5.801 ( -0.718 8.275 -8.896) 12.171 6.295 ( 4.427 3.790 8.218) 10.075 6.374 ( 14.938 1.055 8.043) 16.998 6.919 ( -2.766 12.156 2.184) 12.656 7.259 ( 2.477 7.977 6.966) 10.877 7.441 ( -6.483 -5.808 -11.712) 14.592 7.874 ( 9.095 -2.318 8.814) 12.876 8.136 ( 24.246 -20.582 14.037) 34.764 8.541 ( 2.997 3.789 4.760) 6.782 8.719 ( 5.333 5.036 -11.498) 13.639 8.841 ( 5.920 -8.026 -0.157) 9.974 9.353 ( 7.627 10.750 -24.297) 27.642 9.853 ( 3.915 2.005 17.839) 18.374 10.318 ( -6.424 1.012 -2.451) 6.950 10.462 ( 5.808 -7.321 24.994) 26.684 10.789 ( -7.393 10.858 -0.288) 13.139 11.007 ( -7.830 10.222 -12.901) 18.227 11.210 ( -9.869 -8.260 -4.184) 13.532 11.521 ( -18.401 -18.153 -7.647) 26.955 12.011 ( -3.138 -1.258 -1.224) 3.596 12.508 ( 4.158 19.567 2.855) 20.206 12.768 ( -0.210 6.346 -1.295) 6.481 13.045 ( 0.665 -19.896 -2.158) 20.024 13.121 ( 14.800 0.539 -5.899) 15.942 13.888 ( -31.343 -3.078 0.401) 31.496 14.139 ( 11.163 -12.641 1.321) 16.916 14.633 ( 32.462 -3.496 -0.764) 32.659 15.038 ( -6.292 16.305 -0.703) 17.491 15.500 ( -23.020 2.125 0.736) 23.129 16.049 ( 0.531 8.839 -1.389) 8.963 16.586 ( -24.373 -7.483 6.299) 26.262 17.524 ( 21.117 5.170 2.785) 21.918 17.579 ( 7.338 -0.495 0.359) 7.364 17.962 ( 14.047 -2.406 -3.068) 14.578 18.146 ( 7.611 1.933 0.537) 7.871 18.396 ( -11.489 15.812 -0.168) 19.546 18.742 ( -1.726 0.519 -0.360) 1.838 18.882 ( -7.203 -16.892 -1.080) 18.395 19.860 ( 2.009 -11.056 1.732) 11.370 19.894 ( 11.154 -1.083 -0.892) 11.242 20.028 ( -28.023 -11.070 -3.813) 30.371 20.814 ( -3.951 1.860 -0.886) 4.456 22.263 ( -0.515 15.720 -1.798) 15.831 22.626 ( -4.185 16.811 -0.340) 17.327 22.663 ( -13.176 3.887 -2.199) 13.912 22.929 ( -24.851 -4.728 -0.933) 25.315 23.233 ( 3.518 -22.834 0.281) 23.105 23.246 ( 2.163 -6.324 -0.533) 6.705 24.069 ( -3.556 -3.787 0.928) 5.277 24.627 ( 17.453 5.885 0.684) 18.431 24.808 ( -1.541 3.198 -0.272) 3.560 27.254 ( 22.044 -1.524 -1.978) 22.185 27.538 ( 4.360 -3.285 -0.140) 5.461 27.903 ( 8.518 19.621 -3.989) 21.759 28.246 ( 10.875 -6.798 -4.915) 13.735 29.172 ( -16.421 2.510 -2.022) 16.734 29.225 ( 18.585 -2.032 -1.352) 18.744 30.182 ( -11.423 -3.370 0.287) 11.914 30.686 ( 5.537 -4.994 -0.909) 7.512 30.856 ( -0.738 3.093 -0.794) 3.277 31.827 ( 14.691 15.402 -0.805) 21.301 33.477 ( -4.216 -13.630 0.174) 14.268 33.994 ( -17.190 0.843 0.671) 17.224 35.030 ( -1.437 -4.872 1.027) 5.183 36.939 ( 18.331 39.224 4.415) 43.521 37.938 ( 19.067 -40.071 5.831) 44.758 38.671 ( -35.403 6.524 5.882) 36.476 ======================= Grid point 366 (120/126) ======================= q-point: (-0.50 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( -16.900 4.400 0.221) 17.465 4.167 ( -2.519 2.524 -0.037) 3.566 4.345 ( 12.189 -0.697 -0.448) 12.217 4.587 ( 7.126 3.903 -3.381) 8.801 5.448 ( -4.373 8.292 8.835) 12.882 5.667 ( -4.148 10.712 -11.823) 16.484 6.230 ( -5.608 14.852 15.819) 22.412 6.487 ( 3.987 2.883 7.987) 9.382 6.668 ( -1.046 17.949 -6.145) 19.000 7.287 ( 3.162 -5.432 4.225) 7.573 7.578 ( 13.994 -0.096 -8.129) 16.184 7.937 ( -0.574 -2.392 9.401) 9.718 8.529 ( 4.271 5.932 3.888) 8.279 8.618 ( 13.270 -2.770 23.371) 27.018 8.803 ( 11.263 5.031 -11.985) 17.199 8.936 ( 2.044 4.060 4.015) 6.065 9.341 ( -0.626 2.404 -11.186) 11.458 9.783 ( -3.738 25.341 -10.228) 27.582 10.189 ( -4.341 2.398 2.072) 5.374 10.547 ( -6.702 -0.376 -4.303) 7.973 10.558 ( 0.781 -3.913 20.325) 20.713 10.936 ( -0.317 -6.752 4.279) 8.001 11.227 ( 0.217 -10.004 -10.199) 14.288 11.562 ( -7.524 -25.250 -10.310) 28.293 11.977 ( -7.212 -8.227 -1.148) 11.001 12.376 ( 2.844 15.361 2.875) 15.885 12.634 ( -2.490 11.019 -5.159) 12.419 13.101 ( -13.026 -1.052 0.537) 13.079 13.419 ( 23.787 3.736 -1.824) 24.148 13.715 ( -8.680 -29.814 -1.896) 31.110 14.500 ( 11.674 -18.853 1.830) 22.251 14.695 ( -6.539 23.875 -0.772) 24.766 14.889 ( -17.008 -10.203 -1.426) 19.884 15.382 ( 20.665 15.236 -1.440) 25.715 15.969 ( 7.303 9.335 0.537) 11.865 16.345 ( -21.520 -17.641 3.326) 28.025 17.395 ( -9.143 19.195 0.926) 21.281 17.852 ( 21.182 13.682 1.995) 25.295 18.133 ( -2.766 -4.806 2.575) 6.114 18.245 ( 11.241 -4.183 -1.413) 12.076 18.276 ( 4.191 0.955 -0.761) 4.366 18.694 ( -4.549 -1.229 4.340) 6.407 18.861 ( -9.447 -3.861 -1.763) 10.357 19.777 ( -18.563 -23.327 -7.634) 30.774 20.044 ( 12.932 7.063 0.507) 14.744 20.215 ( 4.673 -35.922 0.650) 36.231 20.728 ( -2.169 7.019 -0.615) 7.372 22.076 ( -7.275 6.084 -2.246) 9.746 22.376 ( -16.214 3.099 -0.762) 16.525 22.421 ( 2.573 17.637 -1.129) 17.859 22.587 ( -25.879 -8.107 -0.821) 27.131 23.297 ( -0.228 -5.186 0.110) 5.192 23.587 ( 8.481 -15.418 0.633) 17.608 24.082 ( -3.759 -10.001 1.597) 10.803 24.619 ( 1.533 15.289 -1.396) 15.429 24.930 ( 13.721 1.974 0.373) 13.868 27.582 ( 14.359 4.447 2.873) 15.304 27.671 ( 11.444 -3.463 -1.620) 12.065 27.769 ( 6.314 21.518 -8.225) 23.886 28.521 ( 16.143 -1.787 -4.691) 16.905 28.876 ( -16.683 3.467 -2.227) 17.184 29.521 ( 15.618 -2.324 -0.858) 15.813 30.025 ( -13.492 -4.197 -0.220) 14.131 30.673 ( -7.247 1.434 0.995) 7.454 30.859 ( 0.626 1.222 -2.381) 2.748 31.733 ( 5.670 29.499 -0.580) 30.045 33.662 ( -1.344 -22.042 2.347) 22.208 33.758 ( -10.898 -4.902 -1.954) 12.108 35.073 ( -2.087 -8.077 1.216) 8.431 36.711 ( 10.440 43.427 4.721) 44.913 38.096 ( -24.754 10.029 6.651) 27.524 38.724 ( 19.171 -46.020 4.567) 50.062 ======================= Grid point 367 (121/126) ======================= q-point: (-0.38 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -10.584 9.563 0.257) 14.267 4.088 ( -2.852 3.240 -0.120) 4.318 4.500 ( 6.683 0.127 0.148) 6.686 4.614 ( 3.525 6.582 -3.489) 8.242 5.246 ( -3.214 18.701 5.708) 19.815 5.468 ( -4.602 11.484 -10.630) 16.311 5.868 ( -11.598 18.680 16.027) 27.209 6.462 ( 2.654 23.243 -5.401) 24.009 6.528 ( 1.318 1.036 3.437) 3.824 7.411 ( 4.858 -4.810 5.487) 8.766 7.799 ( 10.634 -0.867 -2.800) 11.030 7.917 ( -1.896 4.478 18.698) 19.320 8.524 ( 8.040 12.875 -5.717) 16.220 8.658 ( 3.162 14.823 21.069) 25.954 8.889 ( 1.897 9.668 -5.003) 11.049 8.929 ( 3.304 1.729 -4.857) 6.124 9.072 ( -13.817 20.629 -6.677) 25.710 9.412 ( -5.831 8.355 -11.284) 15.203 10.105 ( -3.222 7.129 5.084) 9.330 10.503 ( -2.763 -4.216 -5.403) 7.389 10.779 ( 6.756 -19.564 6.432) 21.674 11.047 ( -1.201 -15.369 19.158) 24.590 11.423 ( 12.091 -5.854 -10.200) 16.867 11.762 ( -1.784 -23.261 -7.007) 24.359 11.895 ( -13.508 -3.853 -3.621) 14.506 12.338 ( 2.045 -2.793 1.294) 3.695 12.506 ( 1.331 8.038 -8.710) 11.927 12.845 ( -9.756 9.124 2.467) 13.584 13.718 ( 16.577 2.654 -1.088) 16.824 14.051 ( -0.901 -38.688 -1.770) 38.739 14.311 ( -2.986 31.595 -2.416) 31.828 14.696 ( -15.206 -18.249 1.750) 23.818 14.897 ( 6.305 -19.491 -1.650) 20.552 15.330 ( 5.686 34.453 -2.066) 34.980 16.205 ( 12.555 -12.318 5.043) 18.297 16.344 ( -2.412 -21.272 -3.544) 21.700 16.970 ( -9.592 26.146 0.785) 27.861 17.925 ( 9.342 18.095 2.068) 20.469 18.066 ( -13.567 -4.677 0.826) 14.374 18.331 ( 4.282 2.393 -1.313) 5.078 18.454 ( 8.401 -4.059 2.214) 9.589 18.641 ( -5.333 -4.639 7.198) 10.089 18.758 ( -2.568 2.470 -3.094) 4.719 19.909 ( -6.822 -36.742 -7.204) 38.058 20.150 ( 11.371 8.982 0.152) 14.491 20.571 ( -3.672 13.720 -0.471) 14.211 20.794 ( 11.113 -46.905 0.730) 48.209 21.976 ( -1.914 -2.294 -1.874) 3.527 22.089 ( -16.049 2.036 -0.933) 16.205 22.228 ( -8.214 12.023 -1.339) 14.622 22.405 ( -6.331 -5.685 -0.961) 8.563 23.353 ( -0.307 -6.363 0.230) 6.375 23.767 ( 3.504 -0.488 1.104) 3.706 24.184 ( -2.147 -16.114 5.693) 17.225 24.447 ( 0.278 16.908 -5.441) 17.764 25.084 ( 8.618 3.435 0.336) 9.283 27.467 ( 2.618 27.447 0.289) 27.573 27.772 ( 3.925 0.123 -4.033) 5.629 27.967 ( 18.190 0.863 -2.933) 18.446 28.588 ( -14.931 2.745 -2.806) 15.438 28.744 ( 13.465 6.418 -5.321) 15.837 29.749 ( 9.393 -2.150 0.005) 9.636 29.863 ( -10.266 -2.395 -0.809) 10.573 30.533 ( -6.302 2.356 1.277) 6.849 30.756 ( -6.735 7.597 -1.415) 10.251 31.451 ( 1.413 30.871 -0.119) 30.904 33.637 ( -5.113 -6.454 0.653) 8.260 33.991 ( 1.791 -26.347 -0.758) 26.419 35.136 ( -2.180 -10.302 1.384) 10.621 36.369 ( 4.495 41.788 4.668) 42.288 37.687 ( -11.922 12.186 6.282) 18.169 39.477 ( 12.296 -46.453 3.788) 48.202 ======================= Grid point 368 (122/126) ======================= q-point: (-0.25 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -0.000 18.029 -0.229) 18.030 4.026 ( -0.000 3.667 -0.243) 3.675 4.535 ( -0.000 4.709 0.934) 4.801 4.580 ( -0.000 3.139 -3.298) 4.553 4.937 ( -0.000 32.891 2.230) 32.966 5.320 ( -0.000 8.812 -6.320) 10.844 5.563 ( -0.000 19.223 13.705) 23.608 6.248 ( -0.000 17.063 -4.997) 17.780 6.532 ( -0.000 1.308 1.486) 1.980 7.530 ( 0.000 -7.267 6.306) 9.621 7.615 ( -0.000 43.618 35.177) 56.035 7.916 ( -0.000 0.197 -11.436) 11.438 8.431 ( -0.000 17.675 2.396) 17.837 8.557 ( -0.000 3.417 -18.792) 19.100 8.624 ( -0.000 6.814 6.768) 9.604 8.958 ( -0.000 0.075 -3.703) 3.704 8.984 ( -0.000 2.280 -9.698) 9.962 9.326 ( -0.000 0.284 -0.914) 0.957 10.008 ( -0.000 3.632 12.197) 12.726 10.538 ( 0.000 -5.940 -5.458) 8.067 11.007 ( 0.000 -14.033 0.762) 14.054 11.231 ( 0.000 -15.510 24.526) 29.019 11.602 ( -0.000 4.146 2.601) 4.894 11.736 ( 0.000 -2.191 -16.624) 16.768 11.980 ( 0.000 -20.246 -2.654) 20.420 12.353 ( -0.000 3.375 0.384) 3.396 12.614 ( 0.000 -20.724 -13.604) 24.790 12.642 ( -0.000 11.633 4.398) 12.437 13.845 ( -0.000 0.455 -0.838) 0.954 13.888 ( -0.000 35.441 -2.148) 35.506 14.510 ( 0.000 -41.336 -2.604) 41.418 14.796 ( 0.000 -21.841 0.517) 21.847 14.948 ( -0.000 40.161 -2.983) 40.271 15.149 ( 0.000 -17.695 -0.382) 17.699 16.483 ( 0.000 -19.091 4.975) 19.729 16.595 ( 0.000 -17.620 -4.884) 18.285 16.634 ( -0.000 17.640 0.250) 17.641 17.768 ( -0.000 23.666 -0.050) 23.666 17.937 ( 0.000 -1.321 2.084) 2.467 18.342 ( -0.000 2.525 -2.004) 3.224 18.594 ( 0.000 -6.534 1.448) 6.693 18.621 ( 0.000 -0.254 6.143) 6.148 18.697 ( -0.000 5.833 -0.897) 5.901 20.171 ( -0.000 8.477 0.202) 8.479 20.294 ( 0.000 -38.618 -3.767) 38.801 20.367 ( -0.000 9.739 -1.694) 9.886 21.478 ( 0.000 -53.059 1.231) 53.074 21.863 ( -0.000 7.476 -0.824) 7.522 21.983 ( -0.000 15.950 -2.856) 16.204 22.049 ( 0.000 -5.580 -0.913) 5.654 22.427 ( 0.000 -8.817 -1.179) 8.896 23.422 ( 0.000 -6.674 0.256) 6.679 23.763 ( -0.000 3.502 1.105) 3.672 24.119 ( -0.000 24.033 4.368) 24.426 24.484 ( 0.000 -21.841 -3.242) 22.080 25.109 ( -0.000 5.100 0.132) 5.102 27.201 ( -0.000 24.868 -0.752) 24.880 27.804 ( -0.000 0.117 -2.783) 2.785 28.115 ( -0.000 5.310 -2.374) 5.817 28.410 ( -0.000 2.325 -3.526) 4.223 28.735 ( -0.000 18.395 -5.721) 19.264 29.781 ( 0.000 -1.368 0.392) 1.423 29.853 ( 0.000 -0.979 -0.805) 1.267 30.457 ( -0.000 1.989 1.619) 2.565 30.592 ( -0.000 7.339 -0.517) 7.357 31.162 ( -0.000 24.210 0.209) 24.211 33.682 ( 0.000 -7.292 -0.174) 7.294 34.272 ( 0.000 -22.814 -0.043) 22.814 35.237 ( 0.000 -12.811 1.530) 12.902 35.980 ( -0.000 37.023 4.253) 37.267 37.457 ( -0.000 13.909 6.052) 15.169 40.056 ( 0.000 -42.231 2.761) 42.321 ======================= Grid point 373 (123/126) ======================= q-point: ( 0.38 -0.62 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( -16.341 -0.000 0.401) 16.346 4.198 ( -3.480 -0.000 0.217) 3.487 4.335 ( 13.729 0.000 -0.641) 13.744 4.631 ( 8.338 0.000 -3.882) 9.197 5.524 ( -4.719 -0.000 9.598) 10.695 5.779 ( -6.115 -0.000 -13.515) 14.834 6.430 ( 7.632 0.000 6.924) 10.304 6.481 ( -9.119 -0.000 27.202) 28.690 6.983 ( -3.516 -0.000 -20.432) 20.732 7.124 ( 9.866 0.000 1.994) 10.065 7.591 ( 7.253 0.000 -4.256) 8.409 8.060 ( 4.123 0.000 2.390) 4.766 8.417 ( 29.893 0.000 28.760) 41.482 8.599 ( 4.209 0.000 8.922) 9.865 8.875 ( 5.474 0.000 -0.354) 5.486 8.894 ( 9.217 0.000 -14.767) 17.408 9.490 ( 0.373 0.000 -7.719) 7.728 9.949 ( 8.651 0.000 10.804) 13.841 10.301 ( 2.062 0.000 -10.719) 10.915 10.480 ( 2.115 0.000 30.775) 30.847 10.724 ( -12.296 -0.000 -2.896) 12.632 10.940 ( -14.532 -0.000 -5.260) 15.454 11.054 ( 2.631 0.000 -18.213) 18.402 11.112 ( -14.748 -0.000 -12.430) 19.287 11.909 ( -8.234 -0.000 -0.220) 8.237 12.700 ( -2.288 -0.000 3.688) 4.340 12.821 ( 3.993 0.000 -2.725) 4.834 12.851 ( -0.669 -0.000 -4.857) 4.903 13.412 ( -16.137 -0.000 1.242) 16.185 13.469 ( 14.573 0.000 -2.329) 14.758 14.274 ( 13.542 0.000 1.798) 13.661 14.700 ( -20.155 -0.000 -0.616) 20.165 15.054 ( -3.665 -0.000 -0.329) 3.680 15.507 ( 24.583 0.000 -0.744) 24.595 16.130 ( -25.564 -0.000 7.050) 26.518 16.153 ( 2.705 0.000 -1.310) 3.006 17.506 ( -0.201 -0.000 4.625) 4.630 18.054 ( 25.999 0.000 -0.328) 26.001 18.163 ( 12.756 0.000 -1.866) 12.891 18.270 ( 6.574 0.000 0.172) 6.576 18.333 ( -15.688 -0.000 -0.795) 15.708 18.650 ( -3.894 -0.000 -0.257) 3.902 18.697 ( -4.143 -0.000 1.954) 4.580 19.520 ( -25.239 -0.000 -7.723) 26.394 19.752 ( -1.220 -0.000 1.972) 2.319 20.131 ( 12.750 0.000 0.114) 12.750 20.792 ( -0.390 -0.000 -0.709) 0.809 22.176 ( -13.303 -0.000 -1.584) 13.397 22.403 ( -25.390 -0.000 -0.625) 25.398 22.415 ( -17.571 -0.000 -1.475) 17.632 22.820 ( -5.476 -0.000 0.766) 5.530 23.235 ( -0.116 -0.000 -0.004) 0.116 23.265 ( 19.975 0.000 -1.611) 20.040 23.997 ( -3.657 -0.000 0.880) 3.761 24.809 ( 0.704 0.000 -1.199) 1.390 24.930 ( 14.598 0.000 1.046) 14.635 27.606 ( 22.836 0.000 -1.674) 22.898 27.618 ( 7.017 0.000 0.080) 7.017 28.263 ( 7.780 0.000 -8.023) 11.176 28.274 ( 12.422 0.000 -2.175) 12.611 28.911 ( -18.036 -0.000 -2.009) 18.148 29.507 ( 17.139 0.000 -0.765) 17.157 29.977 ( -11.952 -0.000 -0.136) 11.953 30.680 ( -4.588 -0.000 0.845) 4.665 30.879 ( 2.898 0.000 -2.859) 4.071 32.145 ( 11.933 0.000 -1.013) 11.976 33.310 ( -4.774 -0.000 0.456) 4.796 33.725 ( -16.210 -0.000 0.455) 16.217 34.991 ( -0.701 -0.000 0.809) 1.071 37.600 ( 19.311 0.000 3.893) 19.699 37.794 ( 8.753 0.000 7.544) 11.555 38.215 ( -25.548 -0.000 5.231) 26.078 ======================= Grid point 375 (124/126) ======================= q-point: (-0.50 0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( -9.609 2.337 0.753) 9.917 4.140 ( -2.712 1.338 0.205) 3.031 4.498 ( 6.959 -0.116 -0.229) 6.963 4.720 ( 4.568 2.821 -4.402) 6.942 5.431 ( -4.163 3.058 7.199) 8.860 5.663 ( -4.549 4.522 -13.147) 14.628 6.187 ( -13.763 8.952 20.252) 26.071 6.525 ( 3.262 -0.401 6.791) 7.545 6.967 ( 6.966 16.298 -10.667) 20.687 7.289 ( 4.650 -5.255 -0.840) 7.067 7.703 ( 4.259 -4.904 -1.298) 6.623 8.037 ( 3.128 9.488 0.301) 9.994 8.680 ( 7.141 2.660 11.285) 13.617 8.803 ( 12.753 -1.003 29.473) 32.129 8.950 ( 2.409 -0.882 3.427) 4.281 9.011 ( 6.458 2.685 -13.359) 15.079 9.393 ( -3.311 10.765 8.989) 14.410 10.078 ( 4.926 26.994 -13.599) 30.625 10.235 ( 2.990 9.157 -9.438) 13.486 10.445 ( -5.557 0.108 -4.495) 7.148 10.515 ( -1.762 -1.660 20.494) 20.636 10.734 ( -11.858 -8.425 4.413) 15.201 11.147 ( -2.010 -25.508 -14.429) 29.375 11.224 ( 4.950 -16.771 -16.831) 24.271 11.779 ( -9.262 -1.907 1.228) 9.536 12.560 ( -1.128 15.914 4.156) 16.487 12.697 ( -1.585 9.373 -8.922) 13.037 12.997 ( -1.476 0.660 2.583) 3.048 13.277 ( -6.927 -27.856 -2.330) 28.799 13.757 ( 14.729 1.052 -0.960) 14.798 14.380 ( -16.917 -8.421 1.774) 18.980 14.551 ( 9.893 -9.739 -0.805) 13.906 14.914 ( -2.368 17.535 0.005) 17.694 15.782 ( -7.775 -8.846 10.306) 15.650 15.923 ( 8.157 9.184 -4.454) 13.066 16.176 ( 7.050 -0.433 -2.596) 7.525 17.490 ( -0.380 11.330 3.264) 11.797 18.003 ( -10.245 7.426 1.286) 12.719 18.267 ( 10.778 11.016 1.747) 15.511 18.359 ( 4.313 0.200 -0.614) 4.361 18.388 ( 8.783 -1.549 0.411) 8.928 18.541 ( -8.504 -0.486 7.977) 11.670 18.722 ( -2.498 -7.347 -5.813) 9.696 19.327 ( -10.358 -18.770 -9.223) 23.338 19.888 ( 0.763 -27.696 1.761) 27.763 20.290 ( 9.499 3.460 0.140) 10.111 20.776 ( 0.246 4.848 -0.602) 4.892 21.954 ( -8.578 2.182 -1.153) 8.926 22.112 ( -18.334 -8.794 -0.744) 20.348 22.162 ( -11.946 2.429 -1.428) 12.274 22.684 ( 0.798 14.743 -0.266) 14.767 23.246 ( -0.452 -3.001 0.191) 3.041 23.620 ( 13.460 -11.473 -0.375) 17.690 23.939 ( -5.909 -2.985 0.830) 6.672 24.775 ( 1.159 9.425 -1.654) 9.639 25.111 ( 7.776 -0.404 0.956) 7.845 27.722 ( 5.228 0.031 1.091) 5.341 27.953 ( 20.606 1.594 -0.297) 20.669 28.140 ( 6.144 25.518 -7.610) 27.328 28.607 ( -8.591 -6.535 -2.461) 11.071 28.632 ( -1.069 -9.154 -5.329) 10.646 29.729 ( 9.872 -0.114 0.294) 9.877 29.821 ( -7.643 -1.188 -1.010) 7.800 30.568 ( -6.946 0.858 1.262) 7.111 30.905 ( 1.228 4.572 -2.900) 5.552 32.125 ( 4.472 26.456 -0.861) 26.845 33.393 ( -1.626 -22.105 1.834) 22.240 33.536 ( -8.824 -4.997 -1.268) 10.219 34.998 ( -0.545 -2.941 0.878) 3.117 37.342 ( 6.573 48.459 5.659) 49.229 37.866 ( -13.210 4.244 6.568) 15.351 38.427 ( 8.976 -50.420 4.246) 51.388 ======================= Grid point 376 (125/126) ======================= q-point: (-0.38 0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( -0.000 5.595 0.744) 5.645 4.095 ( -0.000 2.529 0.148) 2.533 4.554 ( 0.000 -0.033 0.032) 0.046 4.710 ( -0.000 5.557 -4.287) 7.018 5.344 ( -0.000 7.104 6.324) 9.511 5.551 ( -0.000 9.750 -12.933) 16.196 5.948 ( -0.000 14.554 17.549) 22.799 6.550 ( -0.000 0.344 5.206) 5.218 6.782 ( -0.000 27.518 -6.925) 28.376 7.382 ( 0.000 -6.064 -0.106) 6.065 7.810 ( 0.000 -7.935 8.166) 11.387 7.986 ( -0.000 6.503 -5.043) 8.229 8.726 ( -0.000 2.870 11.825) 12.169 8.835 ( -0.000 11.456 36.248) 38.016 8.957 ( 0.000 -0.156 -3.381) 3.385 9.044 ( -0.000 3.025 -14.367) 14.682 9.168 ( -0.000 26.845 7.869) 27.975 9.578 ( -0.000 37.969 -19.970) 42.900 10.203 ( -0.000 13.505 -6.264) 14.887 10.437 ( 0.000 -3.345 -6.057) 6.919 10.647 ( 0.000 -17.974 0.520) 17.982 10.804 ( 0.000 -20.738 24.651) 32.214 11.439 ( 0.000 -26.230 -11.353) 28.581 11.515 ( 0.000 -23.045 -17.695) 29.055 11.669 ( -0.000 2.149 3.117) 3.786 12.396 ( -0.000 10.692 2.837) 11.062 12.596 ( -0.000 7.811 -9.331) 12.169 12.893 ( -0.000 10.559 4.244) 11.380 13.618 ( 0.000 -38.811 -3.335) 38.954 13.862 ( -0.000 1.172 -0.844) 1.444 14.371 ( 0.000 -16.122 0.851) 16.144 14.631 ( -0.000 29.815 0.096) 29.815 14.780 ( 0.000 -15.023 -0.536) 15.033 15.735 ( -0.000 28.551 -0.891) 28.565 15.888 ( 0.000 -23.455 6.143) 24.246 16.363 ( 0.000 -9.394 -4.464) 10.400 17.211 ( -0.000 30.726 0.834) 30.738 17.911 ( 0.000 -0.964 2.109) 2.319 18.198 ( -0.000 15.896 4.960) 16.651 18.384 ( -0.000 1.374 -2.068) 2.483 18.475 ( 0.000 -4.191 1.313) 4.392 18.511 ( 0.000 -6.996 9.194) 11.552 18.753 ( 0.000 -1.712 -6.850) 7.060 19.509 ( 0.000 -27.717 -8.100) 28.876 20.328 ( -0.000 5.599 0.267) 5.605 20.334 ( 0.000 -49.382 1.372) 49.401 20.677 ( -0.000 11.975 -0.528) 11.987 21.939 ( 0.000 -3.846 -0.632) 3.898 22.015 ( -0.000 5.654 -1.417) 5.829 22.019 ( 0.000 -8.987 -1.449) 9.104 22.533 ( -0.000 15.941 -1.044) 15.975 23.287 ( 0.000 -5.296 0.234) 5.301 23.827 ( -0.000 2.269 1.171) 2.553 23.955 ( 0.000 -19.376 1.277) 19.418 24.643 ( -0.000 16.488 -2.412) 16.664 25.173 ( -0.000 0.826 0.678) 1.069 27.738 ( -0.000 9.749 4.320) 10.664 27.874 ( -0.000 20.444 -7.884) 21.911 28.221 ( -0.000 4.068 -1.938) 4.506 28.390 ( 0.000 -2.826 -3.910) 4.824 28.838 ( 0.000 -8.064 -5.838) 9.955 29.750 ( 0.000 -1.280 0.665) 1.442 29.834 ( 0.000 -0.689 -1.175) 1.363 30.495 ( -0.000 1.354 1.458) 1.990 30.814 ( -0.000 11.138 -2.204) 11.354 31.817 ( -0.000 34.120 -0.445) 34.123 33.506 ( 0.000 -8.400 1.818) 8.594 33.706 ( 0.000 -28.524 -1.765) 28.579 35.038 ( 0.000 -5.755 1.075) 5.855 36.881 ( -0.000 46.596 5.352) 46.902 37.696 ( -0.000 7.997 6.254) 10.152 39.048 ( 0.000 -50.792 4.110) 50.958 ======================= Grid point 384 (126/126) ======================= q-point: (-0.50 0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 0.000 -0.000 0.963) 0.963 4.124 ( 0.000 -0.000 0.318) 0.318 4.553 ( 0.000 -0.000 -0.082) 0.082 4.774 ( 0.000 -0.000 -4.786) 4.786 5.411 ( 0.000 -0.000 5.837) 5.837 5.650 ( -0.000 0.000 -12.683) 12.683 6.113 ( 0.000 -0.000 19.052) 19.052 6.552 ( 0.000 -0.000 7.403) 7.403 7.120 ( -0.000 0.000 -12.126) 12.126 7.298 ( 0.000 -0.000 0.336) 0.336 7.705 ( 0.000 -0.000 -1.682) 1.682 8.106 ( 0.000 -0.000 -1.266) 1.266 8.756 ( -0.000 0.000 13.498) 13.498 8.933 ( 0.000 -0.000 38.865) 38.865 8.954 ( 0.000 -0.000 -3.330) 3.330 9.085 ( 0.000 -0.000 -16.309) 16.309 9.432 ( -0.000 0.000 18.174) 18.174 10.387 ( 0.000 -0.000 -1.606) 1.606 10.398 ( 0.000 -0.000 -1.316) 1.316 10.419 ( 0.000 -0.000 -4.211) 4.211 10.441 ( -0.000 0.000 -23.168) 23.168 10.508 ( 0.000 -0.000 24.307) 24.307 10.869 ( 0.000 -0.000 -21.142) 21.142 11.195 ( -0.000 0.000 -17.548) 17.548 11.692 ( 0.000 -0.000 3.273) 3.273 12.627 ( -0.000 0.000 0.587) 0.587 12.841 ( 0.000 -0.000 -5.439) 5.439 12.945 ( -0.000 0.000 -4.052) 4.052 13.021 ( 0.000 -0.000 4.261) 4.261 13.883 ( 0.000 -0.000 -0.938) 0.938 14.182 ( 0.000 -0.000 1.211) 1.211 14.600 ( 0.000 -0.000 -0.729) 0.729 14.998 ( -0.000 0.000 -0.113) 0.113 15.568 ( 0.000 -0.000 12.438) 12.438 16.160 ( -0.000 0.000 -7.275) 7.275 16.196 ( 0.000 -0.000 -0.872) 0.872 17.586 ( 0.000 -0.000 5.785) 5.785 17.900 ( 0.000 -0.000 2.119) 2.119 18.399 ( 0.000 -0.000 -2.102) 2.102 18.429 ( 0.000 -0.000 1.254) 1.254 18.490 ( 0.000 -0.000 0.120) 0.120 18.561 ( -0.000 0.000 3.753) 3.753 18.564 ( 0.000 -0.000 2.189) 2.189 19.103 ( -0.000 0.000 -13.135) 13.135 19.736 ( -0.000 0.000 1.990) 1.990 20.390 ( 0.000 -0.000 0.298) 0.298 20.814 ( 0.000 -0.000 -0.629) 0.629 21.895 ( 0.000 -0.000 -0.809) 0.809 21.899 ( 0.000 -0.000 -0.937) 0.937 22.082 ( 0.000 -0.000 -1.383) 1.383 22.763 ( 0.000 -0.000 0.090) 0.090 23.225 ( 0.000 -0.000 0.243) 0.243 23.699 ( 0.000 -0.000 -1.516) 1.516 23.852 ( 0.000 -0.000 1.198) 1.198 24.838 ( 0.000 -0.000 -1.819) 1.819 25.168 ( 0.000 -0.000 1.227) 1.227 27.769 ( 0.000 -0.000 1.004) 1.004 28.267 ( 0.000 -0.000 -1.750) 1.750 28.307 ( 0.000 -0.000 0.906) 0.906 28.476 ( -0.000 0.000 -11.927) 11.927 28.483 ( -0.000 0.000 -3.137) 3.137 29.735 ( 0.000 -0.000 0.695) 0.695 29.827 ( 0.000 -0.000 -1.301) 1.301 30.510 ( 0.000 -0.000 1.433) 1.433 30.952 ( 0.000 -0.000 -3.127) 3.127 32.335 ( 0.000 -0.000 -1.136) 1.136 33.231 ( 0.000 -0.000 1.435) 1.435 33.430 ( 0.000 -0.000 -0.628) 0.628 34.980 ( 0.000 -0.000 0.784) 0.784 37.757 ( 0.000 -0.000 10.714) 10.714 37.921 ( -0.000 0.000 3.861) 3.861 37.986 ( 0.000 -0.000 2.087) 2.087 =================== 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 3/50688 10.0 2264.736 2589.049 1420.450 0.000 0.000 -0.000 3/50688 20.0 715.708 811.365 272.387 0.000 0.000 -0.000 3/50688 30.0 181.991 223.444 176.259 0.000 0.000 -0.000 3/50688 40.0 91.951 115.800 122.311 0.000 0.000 -0.000 3/50688 50.0 61.732 76.099 84.573 0.000 0.000 -0.000 3/50688 60.0 46.472 56.006 61.823 0.000 0.000 -0.000 3/50688 70.0 37.164 44.023 47.804 0.000 0.000 -0.000 3/50688 80.0 30.917 36.154 38.682 0.000 0.000 -0.000 3/50688 90.0 26.468 30.656 32.420 0.000 0.000 -0.000 3/50688 100.0 23.166 26.640 27.912 0.000 0.000 -0.000 3/50688 110.0 20.635 23.606 24.531 0.000 0.000 -0.000 3/50688 120.0 18.643 21.252 21.907 0.000 0.000 -0.000 3/50688 130.0 17.039 19.381 19.809 0.000 0.000 -0.000 3/50688 140.0 15.721 17.864 18.091 0.000 0.000 -0.000 3/50688 150.0 14.619 16.611 16.655 0.000 0.000 -0.000 3/50688 160.0 13.683 15.559 15.437 0.000 0.000 -0.000 3/50688 170.0 12.877 14.663 14.387 0.000 0.000 -0.000 3/50688 180.0 12.175 13.888 13.473 0.000 0.000 -0.000 3/50688 190.0 11.555 13.211 12.670 0.000 0.000 -0.000 3/50688 200.0 11.004 12.612 11.958 0.000 0.000 -0.000 3/50688 210.0 10.510 12.078 11.323 0.000 0.000 -0.000 3/50688 220.0 10.064 11.597 10.752 0.000 0.000 -0.000 3/50688 230.0 9.658 11.161 10.238 0.000 0.000 -0.000 3/50688 240.0 9.287 10.763 9.771 0.000 0.000 -0.000 3/50688 250.0 8.946 10.397 9.346 0.000 0.000 -0.000 3/50688 260.0 8.632 10.060 8.957 0.000 0.000 -0.000 3/50688 270.0 8.341 9.747 8.600 0.000 0.000 -0.000 3/50688 280.0 8.071 9.456 8.272 0.000 0.000 -0.000 3/50688 290.0 7.819 9.184 7.969 0.000 0.000 -0.000 3/50688 300.0 7.584 8.929 7.689 0.000 0.000 -0.000 3/50688 310.0 7.363 8.690 7.428 0.000 0.000 -0.000 3/50688 320.0 7.156 8.464 7.186 0.000 0.000 -0.000 3/50688 330.0 6.961 8.251 6.959 0.000 0.000 -0.000 3/50688 340.0 6.777 8.050 6.748 0.000 0.000 -0.000 3/50688 350.0 6.603 7.859 6.550 0.000 0.000 -0.000 3/50688 360.0 6.438 7.677 6.364 0.000 0.000 -0.000 3/50688 370.0 6.282 7.504 6.189 0.000 0.000 -0.000 3/50688 380.0 6.134 7.340 6.024 0.000 0.000 -0.000 3/50688 390.0 5.993 7.183 5.868 0.000 0.000 -0.000 3/50688 400.0 5.858 7.033 5.721 0.000 0.000 -0.000 3/50688 410.0 5.730 6.889 5.581 0.000 0.000 -0.000 3/50688 420.0 5.608 6.752 5.449 0.000 0.000 -0.000 3/50688 430.0 5.491 6.620 5.323 0.000 0.000 -0.000 3/50688 440.0 5.379 6.493 5.203 0.000 0.000 -0.000 3/50688 450.0 5.271 6.372 5.089 0.000 0.000 -0.000 3/50688 460.0 5.168 6.255 4.980 0.000 0.000 -0.000 3/50688 470.0 5.069 6.142 4.876 0.000 0.000 -0.000 3/50688 480.0 4.974 6.034 4.777 0.000 0.000 -0.000 3/50688 490.0 4.883 5.929 4.682 0.000 0.000 -0.000 3/50688 500.0 4.795 5.828 4.591 0.000 0.000 -0.000 3/50688 510.0 4.710 5.731 4.503 0.000 0.000 -0.000 3/50688 520.0 4.628 5.637 4.419 0.000 0.000 -0.000 3/50688 530.0 4.550 5.545 4.339 0.000 0.000 -0.000 3/50688 540.0 4.473 5.457 4.261 0.000 0.000 -0.000 3/50688 550.0 4.400 5.372 4.186 0.000 0.000 -0.000 3/50688 560.0 4.329 5.289 4.114 0.000 0.000 -0.000 3/50688 570.0 4.260 5.209 4.045 0.000 0.000 -0.000 3/50688 580.0 4.193 5.131 3.978 0.000 0.000 -0.000 3/50688 590.0 4.128 5.056 3.913 0.000 0.000 -0.000 3/50688 600.0 4.066 4.983 3.850 0.000 0.000 -0.000 3/50688 610.0 4.005 4.911 3.790 0.000 0.000 -0.000 3/50688 620.0 3.946 4.842 3.731 0.000 0.000 -0.000 3/50688 630.0 3.889 4.775 3.675 0.000 0.000 -0.000 3/50688 640.0 3.834 4.710 3.620 0.000 0.000 -0.000 3/50688 650.0 3.780 4.646 3.567 0.000 0.000 -0.000 3/50688 660.0 3.727 4.584 3.515 0.000 0.000 -0.000 3/50688 670.0 3.676 4.524 3.465 0.000 0.000 -0.000 3/50688 680.0 3.627 4.465 3.416 0.000 0.000 -0.000 3/50688 690.0 3.578 4.408 3.369 0.000 0.000 -0.000 3/50688 700.0 3.531 4.352 3.323 0.000 0.000 -0.000 3/50688 710.0 3.486 4.298 3.279 0.000 0.000 -0.000 3/50688 720.0 3.441 4.245 3.235 0.000 0.000 -0.000 3/50688 730.0 3.397 4.193 3.193 0.000 0.000 -0.000 3/50688 740.0 3.355 4.142 3.152 0.000 0.000 -0.000 3/50688 750.0 3.314 4.093 3.112 0.000 0.000 -0.000 3/50688 760.0 3.273 4.045 3.073 0.000 0.000 -0.000 3/50688 770.0 3.234 3.998 3.035 0.000 0.000 -0.000 3/50688 780.0 3.196 3.952 2.998 0.000 0.000 -0.000 3/50688 790.0 3.158 3.907 2.961 0.000 0.000 -0.000 3/50688 800.0 3.121 3.863 2.926 0.000 0.000 -0.000 3/50688 810.0 3.086 3.820 2.892 0.000 0.000 -0.000 3/50688 820.0 3.051 3.778 2.858 0.000 0.000 -0.000 3/50688 830.0 3.016 3.736 2.825 0.000 0.000 -0.000 3/50688 840.0 2.983 3.696 2.793 0.000 0.000 -0.000 3/50688 850.0 2.950 3.657 2.762 0.000 0.000 -0.000 3/50688 860.0 2.918 3.618 2.731 0.000 0.000 -0.000 3/50688 870.0 2.887 3.580 2.701 0.000 0.000 -0.000 3/50688 880.0 2.856 3.543 2.672 0.000 0.000 -0.000 3/50688 890.0 2.826 3.507 2.643 0.000 0.000 -0.000 3/50688 900.0 2.797 3.471 2.615 0.000 0.000 -0.000 3/50688 910.0 2.768 3.436 2.588 0.000 0.000 -0.000 3/50688 920.0 2.740 3.402 2.561 0.000 0.000 -0.000 3/50688 930.0 2.712 3.369 2.534 0.000 0.000 -0.000 3/50688 940.0 2.685 3.336 2.509 0.000 0.000 -0.000 3/50688 950.0 2.658 3.303 2.483 0.000 0.000 -0.000 3/50688 960.0 2.632 3.272 2.459 0.000 0.000 -0.000 3/50688 970.0 2.607 3.241 2.434 0.000 0.000 -0.000 3/50688 980.0 2.582 3.210 2.411 0.000 0.000 -0.000 3/50688 990.0 2.557 3.180 2.387 0.000 0.000 -0.000 3/50688 1000.0 2.533 3.151 2.364 0.000 0.000 -0.000 3/50688 Thermal conductivity related properties were written into "kappa-m8811.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:45:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|