----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:37:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.928433025000000 -5.779528860000000 0.000000000000000 b 2.928433025000000 5.779528860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.932287459999998 Atomic positions (fractional): *1 N 0.97435159777955 0.52564840222045 0.75000000000000 14.007 2 N 0.52564840222045 0.97435159777955 0.25000000000000 14.007 3 N 0.02564840222045 0.47435159777955 0.25000000000000 14.007 4 N 0.47435159777955 0.02564840222045 0.75000000000000 14.007 *5 N 0.40560056595330 0.59439943404670 0.86680289473666 14.007 6 N 0.59439943404670 0.40560056595330 0.13319710526334 14.007 7 N 0.09439943404670 0.90560056595330 0.36680289473666 14.007 *8 N 0.66653690142439 0.33346309857561 0.55577644698707 14.007 9 N 0.16653690142439 0.83346309857561 0.94422355301293 14.007 10 N 0.83346309857561 0.16653690142439 0.05577644698707 14.007 11 N 0.33346309857561 0.66653690142439 0.44422355301293 14.007 12 N 0.90560056595330 0.09439943404670 0.63319710526334 14.007 *13 V 0.75589872035812 0.24410127964188 0.66710721059690 50.941 14 V 0.74410127964188 0.25589872035812 0.16710721059690 50.941 15 V 0.24410127964188 0.75589872035812 0.33289278940310 50.941 16 V 0.25589872035812 0.74410127964188 0.83289278940310 50.941 *17 Ba 0.85886349930260 0.14113650069740 0.42129185330548 137.327 18 Ba 0.35886349930260 0.64113650069740 0.07870814669452 137.327 19 Ba 0.64113650069740 0.35886349930260 0.92129185330548 137.327 20 Ba 0.14113650069740 0.85886349930260 0.57870814669452 137.327 *21 Ba 0.44396702162795 0.55603297837205 0.64502165956921 137.327 22 Ba 0.55603297837205 0.44396702162795 0.35497834043079 137.327 23 Ba 0.05603297837205 0.94396702162795 0.14502165956922 137.327 24 Ba 0.94396702162795 0.05603297837205 0.85497834043079 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.856866050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.559057720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.932287459999998 Atomic positions (fractional): *1 N 0.25000000000000 0.27564840222045 0.75000000000000 14.007 > 1 2 N 0.75000000000000 0.22435159777955 0.25000000000000 14.007 > 2 3 N 0.25000000000000 0.22435159777955 0.25000000000000 14.007 > 3 4 N 0.75000000000000 0.27564840222045 0.75000000000000 14.007 > 4 *5 N 0.50000000000000 0.09439943404670 0.86680289473666 14.007 > 5 6 N 0.00000000000000 0.40560056595330 0.13319710526334 14.007 > 6 7 N 0.50000000000000 0.40560056595330 0.36680289473666 14.007 > 7 *8 N 0.00000000000000 0.33346309857561 0.55577644698707 14.007 > 8 9 N 0.50000000000000 0.33346309857561 0.94422355301293 14.007 > 9 10 N 0.00000000000000 0.16653690142439 0.05577644698707 14.007 > 10 11 N 0.50000000000000 0.16653690142439 0.44422355301293 14.007 > 11 12 N 0.00000000000000 0.09439943404670 0.63319710526334 14.007 > 12 13 N 0.75000000000000 0.77564840222045 0.75000000000000 14.007 > 1 14 N 0.25000000000000 0.72435159777955 0.25000000000000 14.007 > 2 15 N 0.75000000000000 0.72435159777955 0.25000000000000 14.007 > 3 16 N 0.25000000000000 0.77564840222045 0.75000000000000 14.007 > 4 17 N 0.00000000000000 0.59439943404670 0.86680289473666 14.007 > 5 18 N 0.50000000000000 0.90560056595330 0.13319710526334 14.007 > 6 19 N 0.00000000000000 0.90560056595330 0.36680289473666 14.007 > 7 20 N 0.50000000000000 0.83346309857561 0.55577644698707 14.007 > 8 21 N 0.00000000000000 0.83346309857561 0.94422355301293 14.007 > 9 22 N 0.50000000000000 0.66653690142439 0.05577644698707 14.007 > 10 23 N 0.00000000000000 0.66653690142439 0.44422355301293 14.007 > 11 24 N 0.50000000000000 0.59439943404670 0.63319710526334 14.007 > 12 *25 V 0.00000000000000 0.24410127964188 0.66710721059690 50.941 > 13 26 V 0.00000000000000 0.25589872035812 0.16710721059690 50.941 > 14 27 V 0.50000000000000 0.25589872035812 0.33289278940310 50.941 > 15 28 V 0.50000000000000 0.24410127964188 0.83289278940310 50.941 > 16 29 V 0.50000000000000 0.74410127964188 0.66710721059690 50.941 > 13 30 V 0.50000000000000 0.75589872035812 0.16710721059690 50.941 > 14 31 V 0.00000000000000 0.75589872035812 0.33289278940310 50.941 > 15 32 V 0.00000000000000 0.74410127964188 0.83289278940310 50.941 > 16 *33 Ba 0.00000000000000 0.14113650069740 0.42129185330548 137.327 > 17 34 Ba 0.50000000000000 0.14113650069740 0.07870814669452 137.327 > 18 35 Ba 0.00000000000000 0.35886349930260 0.92129185330548 137.327 > 19 36 Ba 0.50000000000000 0.35886349930260 0.57870814669452 137.327 > 20 *37 Ba 0.50000000000000 0.05603297837205 0.64502165956921 137.327 > 21 38 Ba 0.00000000000000 0.44396702162795 0.35497834043079 137.327 > 22 39 Ba 0.50000000000000 0.44396702162795 0.14502165956922 137.327 > 23 40 Ba 0.00000000000000 0.05603297837205 0.85497834043079 137.327 > 24 41 Ba 0.50000000000000 0.64113650069740 0.42129185330548 137.327 > 17 42 Ba 0.00000000000000 0.64113650069740 0.07870814669452 137.327 > 18 43 Ba 0.50000000000000 0.85886349930260 0.92129185330548 137.327 > 19 44 Ba 0.00000000000000 0.85886349930260 0.57870814669452 137.327 > 20 45 Ba 0.00000000000000 0.55603297837205 0.64502165956921 137.327 > 21 46 Ba 0.50000000000000 0.94396702162795 0.35497834043079 137.327 > 22 47 Ba 0.00000000000000 0.94396702162795 0.14502165956922 137.327 > 23 48 Ba 0.50000000000000 0.55603297837205 0.85497834043079 137.327 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.713732100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.559057720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.932287459999998 Atomic positions (fractional): *1 N 0.12500000000000 0.27564840222045 0.75000000000000 14.007 > 1 2 N 0.62500000000000 0.27564840222045 0.75000000000000 14.007 > 1 3 N 0.37500000000000 0.22435159777955 0.25000000000000 14.007 > 2 4 N 0.87500000000000 0.22435159777955 0.25000000000000 14.007 > 2 5 N 0.12500000000000 0.22435159777955 0.25000000000000 14.007 > 3 6 N 0.62500000000000 0.22435159777955 0.25000000000000 14.007 > 3 7 N 0.37500000000000 0.27564840222045 0.75000000000000 14.007 > 4 8 N 0.87500000000000 0.27564840222045 0.75000000000000 14.007 > 4 *9 N 0.25000000000000 0.09439943404670 0.86680289473666 14.007 > 5 10 N 0.75000000000000 0.09439943404670 0.86680289473666 14.007 > 5 11 N 0.00000000000000 0.40560056595330 0.13319710526334 14.007 > 6 12 N 0.50000000000000 0.40560056595330 0.13319710526334 14.007 > 6 13 N 0.25000000000000 0.40560056595330 0.36680289473666 14.007 > 7 14 N 0.75000000000000 0.40560056595330 0.36680289473666 14.007 > 7 *15 N 0.00000000000000 0.33346309857561 0.55577644698707 14.007 > 8 16 N 0.50000000000000 0.33346309857561 0.55577644698707 14.007 > 8 17 N 0.25000000000000 0.33346309857561 0.94422355301293 14.007 > 9 18 N 0.75000000000000 0.33346309857561 0.94422355301293 14.007 > 9 19 N 0.00000000000000 0.16653690142439 0.05577644698707 14.007 > 10 20 N 0.50000000000000 0.16653690142439 0.05577644698707 14.007 > 10 21 N 0.25000000000000 0.16653690142439 0.44422355301293 14.007 > 11 22 N 0.75000000000000 0.16653690142439 0.44422355301293 14.007 > 11 23 N 0.00000000000000 0.09439943404670 0.63319710526334 14.007 > 12 24 N 0.50000000000000 0.09439943404670 0.63319710526334 14.007 > 12 25 N 0.37500000000000 0.77564840222045 0.75000000000000 14.007 > 1 26 N 0.87500000000000 0.77564840222045 0.75000000000000 14.007 > 1 27 N 0.12500000000000 0.72435159777955 0.25000000000000 14.007 > 2 28 N 0.62500000000000 0.72435159777955 0.25000000000000 14.007 > 2 29 N 0.37500000000000 0.72435159777955 0.25000000000000 14.007 > 3 30 N 0.87500000000000 0.72435159777955 0.25000000000000 14.007 > 3 31 N 0.12500000000000 0.77564840222045 0.75000000000000 14.007 > 4 32 N 0.62500000000000 0.77564840222045 0.75000000000000 14.007 > 4 33 N 0.00000000000000 0.59439943404670 0.86680289473666 14.007 > 5 34 N 0.50000000000000 0.59439943404670 0.86680289473666 14.007 > 5 35 N 0.25000000000000 0.90560056595330 0.13319710526334 14.007 > 6 36 N 0.75000000000000 0.90560056595330 0.13319710526334 14.007 > 6 37 N 0.00000000000000 0.90560056595330 0.36680289473666 14.007 > 7 38 N 0.50000000000000 0.90560056595330 0.36680289473666 14.007 > 7 39 N 0.25000000000000 0.83346309857561 0.55577644698707 14.007 > 8 40 N 0.75000000000000 0.83346309857561 0.55577644698707 14.007 > 8 41 N 0.00000000000000 0.83346309857561 0.94422355301293 14.007 > 9 42 N 0.50000000000000 0.83346309857561 0.94422355301293 14.007 > 9 43 N 0.25000000000000 0.66653690142439 0.05577644698707 14.007 > 10 44 N 0.75000000000000 0.66653690142439 0.05577644698707 14.007 > 10 45 N 0.00000000000000 0.66653690142439 0.44422355301293 14.007 > 11 46 N 0.50000000000000 0.66653690142439 0.44422355301293 14.007 > 11 47 N 0.25000000000000 0.59439943404670 0.63319710526334 14.007 > 12 48 N 0.75000000000000 0.59439943404670 0.63319710526334 14.007 > 12 *49 V 0.00000000000000 0.24410127964188 0.66710721059690 50.941 > 13 50 V 0.50000000000000 0.24410127964188 0.66710721059690 50.941 > 13 51 V 0.00000000000000 0.25589872035812 0.16710721059690 50.941 > 14 52 V 0.50000000000000 0.25589872035812 0.16710721059690 50.941 > 14 53 V 0.25000000000000 0.25589872035812 0.33289278940310 50.941 > 15 54 V 0.75000000000000 0.25589872035812 0.33289278940310 50.941 > 15 55 V 0.25000000000000 0.24410127964188 0.83289278940310 50.941 > 16 56 V 0.75000000000000 0.24410127964188 0.83289278940310 50.941 > 16 57 V 0.25000000000000 0.74410127964188 0.66710721059690 50.941 > 13 58 V 0.75000000000000 0.74410127964188 0.66710721059690 50.941 > 13 59 V 0.25000000000000 0.75589872035812 0.16710721059690 50.941 > 14 60 V 0.75000000000000 0.75589872035812 0.16710721059690 50.941 > 14 61 V 0.00000000000000 0.75589872035812 0.33289278940310 50.941 > 15 62 V 0.50000000000000 0.75589872035812 0.33289278940310 50.941 > 15 63 V 0.00000000000000 0.74410127964188 0.83289278940310 50.941 > 16 64 V 0.50000000000000 0.74410127964188 0.83289278940310 50.941 > 16 *65 Ba 0.00000000000000 0.14113650069740 0.42129185330548 137.327 > 17 66 Ba 0.50000000000000 0.14113650069740 0.42129185330548 137.327 > 17 67 Ba 0.25000000000000 0.14113650069740 0.07870814669452 137.327 > 18 68 Ba 0.75000000000000 0.14113650069740 0.07870814669452 137.327 > 18 69 Ba 0.00000000000000 0.35886349930260 0.92129185330548 137.327 > 19 70 Ba 0.50000000000000 0.35886349930260 0.92129185330548 137.327 > 19 71 Ba 0.25000000000000 0.35886349930260 0.57870814669452 137.327 > 20 72 Ba 0.75000000000000 0.35886349930260 0.57870814669452 137.327 > 20 *73 Ba 0.25000000000000 0.05603297837205 0.64502165956921 137.327 > 21 74 Ba 0.75000000000000 0.05603297837205 0.64502165956921 137.327 > 21 75 Ba 0.00000000000000 0.44396702162795 0.35497834043079 137.327 > 22 76 Ba 0.50000000000000 0.44396702162795 0.35497834043079 137.327 > 22 77 Ba 0.25000000000000 0.44396702162795 0.14502165956922 137.327 > 23 78 Ba 0.75000000000000 0.44396702162795 0.14502165956922 137.327 > 23 79 Ba 0.00000000000000 0.05603297837205 0.85497834043079 137.327 > 24 80 Ba 0.50000000000000 0.05603297837205 0.85497834043079 137.327 > 24 81 Ba 0.25000000000000 0.64113650069740 0.42129185330548 137.327 > 17 82 Ba 0.75000000000000 0.64113650069740 0.42129185330548 137.327 > 17 83 Ba 0.00000000000000 0.64113650069740 0.07870814669452 137.327 > 18 84 Ba 0.50000000000000 0.64113650069740 0.07870814669452 137.327 > 18 85 Ba 0.25000000000000 0.85886349930260 0.92129185330548 137.327 > 19 86 Ba 0.75000000000000 0.85886349930260 0.92129185330548 137.327 > 19 87 Ba 0.00000000000000 0.85886349930260 0.57870814669452 137.327 > 20 88 Ba 0.50000000000000 0.85886349930260 0.57870814669452 137.327 > 20 89 Ba 0.00000000000000 0.55603297837205 0.64502165956921 137.327 > 21 90 Ba 0.50000000000000 0.55603297837205 0.64502165956921 137.327 > 21 91 Ba 0.25000000000000 0.94396702162795 0.35497834043079 137.327 > 22 92 Ba 0.75000000000000 0.94396702162795 0.35497834043079 137.327 > 22 93 Ba 0.00000000000000 0.94396702162795 0.14502165956922 137.327 > 23 94 Ba 0.50000000000000 0.94396702162795 0.14502165956922 137.327 > 23 95 Ba 0.25000000000000 0.55603297837205 0.85497834043079 137.327 > 24 96 Ba 0.75000000000000 0.55603297837205 0.85497834043079 137.327 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0516448 0.0000000 0.0000000 0.0000000 6.8424668 0.0000000 0.0000000 0.0000000 7.6372719 -------------------------- Born effective charges -------------------------- 1 N -5.4085701 0.0000000 -2.4857514 0.0000000 -1.2098145 0.0000000 -1.8078626 0.0000000 -2.9397588 2 N -5.4085701 0.0000000 2.4857514 0.0000000 -1.2098145 0.0000000 1.8078626 0.0000000 -2.9397588 3 N -5.4085701 0.0000000 -2.4857514 0.0000000 -1.2098145 0.0000000 -1.8078626 0.0000000 -2.9397588 4 N -5.4085701 0.0000000 2.4857514 0.0000000 -1.2098145 0.0000000 1.8078626 0.0000000 -2.9397588 5 N -2.0746248 0.0000000 0.0000000 0.0000000 -4.0882955 0.5727829 0.0000000 1.0051629 -2.3358234 6 N -2.0746248 0.0000000 0.0000000 0.0000000 -4.0882955 0.5727829 0.0000000 1.0051629 -2.3358234 7 N -2.0746248 0.0000000 0.0000000 0.0000000 -4.0882955 -0.5727829 0.0000000 -1.0051629 -2.3358234 8 N -2.1783481 0.0000000 0.0000000 0.0000000 -2.9875221 1.1952798 0.0000000 1.3140768 -4.1107665 9 N -2.1783481 0.0000000 0.0000000 0.0000000 -2.9875221 -1.1952798 0.0000000 -1.3140768 -4.1107665 10 N -2.1783481 0.0000000 0.0000000 0.0000000 -2.9875221 -1.1952798 0.0000000 -1.3140768 -4.1107665 11 N -2.1783481 0.0000000 0.0000000 0.0000000 -2.9875221 1.1952798 0.0000000 1.3140768 -4.1107665 12 N -2.0746248 0.0000000 0.0000000 0.0000000 -4.0882955 -0.5727829 0.0000000 -1.0051629 -2.3358234 13 V 4.7118734 0.0000000 0.0000000 0.0000000 2.7891079 -0.5605292 0.0000000 0.0549539 3.4393968 14 V 4.7118734 0.0000000 0.0000000 0.0000000 2.7891079 0.5605292 0.0000000 -0.0549539 3.4393968 15 V 4.7118734 0.0000000 0.0000000 0.0000000 2.7891079 -0.5605292 0.0000000 0.0549539 3.4393968 16 V 4.7118734 0.0000000 0.0000000 0.0000000 2.7891079 0.5605292 0.0000000 -0.0549539 3.4393968 17 Ba 2.2023920 0.0000000 0.0000000 0.0000000 2.4118249 0.2475065 0.0000000 0.3381272 3.1043163 18 Ba 2.2023920 0.0000000 0.0000000 0.0000000 2.4118249 -0.2475065 0.0000000 -0.3381272 3.1043163 19 Ba 2.2023920 0.0000000 0.0000000 0.0000000 2.4118249 -0.2475065 0.0000000 -0.3381272 3.1043163 20 Ba 2.2023920 0.0000000 0.0000000 0.0000000 2.4118249 0.2475065 0.0000000 0.3381272 3.1043163 21 Ba 2.7472777 0.0000000 0.0000000 0.0000000 3.0846993 0.3196595 0.0000000 0.0086893 2.8426357 22 Ba 2.7472777 0.0000000 0.0000000 0.0000000 3.0846993 0.3196595 0.0000000 0.0086893 2.8426357 23 Ba 2.7472777 0.0000000 0.0000000 0.0000000 3.0846993 -0.3196595 0.0000000 -0.0086893 2.8426357 24 Ba 2.7472777 0.0000000 0.0000000 0.0000000 3.0846993 -0.3196595 0.0000000 -0.0086893 2.8426357 ---------------------------------------------------------------------------- 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: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1426), data: False |-- (184, 184), data: True |-- (192, 190), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (384, 374), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.646 Solver_block: 200 / 400 - Time: 1.634 Solver_block: 300 / 400 - Time: 1.631 Solver_block: 400 / 400 - Time: 1.632 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.579 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 184 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1426), data: False |-- (184, 184), data: True |-- (192, 190), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (384, 374), 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 03:37:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:37:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.928433025000000 -5.779528860000000 0.000000000000000 b 2.928433025000000 5.779528860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.932287459999998 Atomic positions (fractional): 1 N 0.97435159777955 0.52564840222045 0.75000000000000 14.007 2 N 0.52564840222045 0.97435159777955 0.25000000000000 14.007 3 N 0.02564840222045 0.47435159777955 0.25000000000000 14.007 4 N 0.47435159777955 0.02564840222045 0.75000000000000 14.007 5 N 0.40560056595330 0.59439943404670 0.86680289473666 14.007 6 N 0.59439943404670 0.40560056595330 0.13319710526334 14.007 7 N 0.09439943404670 0.90560056595330 0.36680289473666 14.007 8 N 0.66653690142439 0.33346309857561 0.55577644698707 14.007 9 N 0.16653690142439 0.83346309857561 0.94422355301293 14.007 10 N 0.83346309857561 0.16653690142439 0.05577644698707 14.007 11 N 0.33346309857561 0.66653690142439 0.44422355301293 14.007 12 N 0.90560056595330 0.09439943404670 0.63319710526334 14.007 13 V 0.75589872035812 0.24410127964188 0.66710721059690 50.941 14 V 0.74410127964188 0.25589872035812 0.16710721059690 50.941 15 V 0.24410127964188 0.75589872035812 0.33289278940310 50.941 16 V 0.25589872035812 0.74410127964188 0.83289278940310 50.941 17 Ba 0.85886349930260 0.14113650069740 0.42129185330548 137.327 18 Ba 0.35886349930260 0.64113650069740 0.07870814669452 137.327 19 Ba 0.64113650069740 0.35886349930260 0.92129185330548 137.327 20 Ba 0.14113650069740 0.85886349930260 0.57870814669452 137.327 21 Ba 0.44396702162795 0.55603297837205 0.64502165956921 137.327 22 Ba 0.55603297837205 0.44396702162795 0.35497834043079 137.327 23 Ba 0.05603297837205 0.94396702162795 0.14502165956922 137.327 24 Ba 0.94396702162795 0.05603297837205 0.85497834043079 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.713732100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.559057720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.932287459999998 Atomic positions (fractional): 1 N 0.12500000000000 0.27564840222045 0.75000000000000 14.007 > 1 2 N 0.62500000000000 0.27564840222045 0.75000000000000 14.007 > 1 3 N 0.37500000000000 0.22435159777955 0.25000000000000 14.007 > 3 4 N 0.87500000000000 0.22435159777955 0.25000000000000 14.007 > 3 5 N 0.12500000000000 0.22435159777955 0.25000000000000 14.007 > 5 6 N 0.62500000000000 0.22435159777955 0.25000000000000 14.007 > 5 7 N 0.37500000000000 0.27564840222045 0.75000000000000 14.007 > 7 8 N 0.87500000000000 0.27564840222045 0.75000000000000 14.007 > 7 9 N 0.25000000000000 0.09439943404670 0.86680289473666 14.007 > 9 10 N 0.75000000000000 0.09439943404670 0.86680289473666 14.007 > 9 11 N 0.00000000000000 0.40560056595330 0.13319710526334 14.007 > 11 12 N 0.50000000000000 0.40560056595330 0.13319710526334 14.007 > 11 13 N 0.25000000000000 0.40560056595330 0.36680289473666 14.007 > 13 14 N 0.75000000000000 0.40560056595330 0.36680289473666 14.007 > 13 15 N 0.00000000000000 0.33346309857561 0.55577644698707 14.007 > 15 16 N 0.50000000000000 0.33346309857561 0.55577644698707 14.007 > 15 17 N 0.25000000000000 0.33346309857561 0.94422355301293 14.007 > 17 18 N 0.75000000000000 0.33346309857561 0.94422355301293 14.007 > 17 19 N 0.00000000000000 0.16653690142439 0.05577644698707 14.007 > 19 20 N 0.50000000000000 0.16653690142439 0.05577644698707 14.007 > 19 21 N 0.25000000000000 0.16653690142439 0.44422355301293 14.007 > 21 22 N 0.75000000000000 0.16653690142439 0.44422355301293 14.007 > 21 23 N 0.00000000000000 0.09439943404670 0.63319710526334 14.007 > 23 24 N 0.50000000000000 0.09439943404670 0.63319710526334 14.007 > 23 25 N 0.37500000000000 0.77564840222045 0.75000000000000 14.007 > 1 26 N 0.87500000000000 0.77564840222045 0.75000000000000 14.007 > 1 27 N 0.12500000000000 0.72435159777955 0.25000000000000 14.007 > 3 28 N 0.62500000000000 0.72435159777955 0.25000000000000 14.007 > 3 29 N 0.37500000000000 0.72435159777955 0.25000000000000 14.007 > 5 30 N 0.87500000000000 0.72435159777955 0.25000000000000 14.007 > 5 31 N 0.12500000000000 0.77564840222045 0.75000000000000 14.007 > 7 32 N 0.62500000000000 0.77564840222045 0.75000000000000 14.007 > 7 33 N 0.00000000000000 0.59439943404670 0.86680289473666 14.007 > 9 34 N 0.50000000000000 0.59439943404670 0.86680289473666 14.007 > 9 35 N 0.25000000000000 0.90560056595330 0.13319710526334 14.007 > 11 36 N 0.75000000000000 0.90560056595330 0.13319710526334 14.007 > 11 37 N 0.00000000000000 0.90560056595330 0.36680289473666 14.007 > 13 38 N 0.50000000000000 0.90560056595330 0.36680289473666 14.007 > 13 39 N 0.25000000000000 0.83346309857561 0.55577644698707 14.007 > 15 40 N 0.75000000000000 0.83346309857561 0.55577644698707 14.007 > 15 41 N 0.00000000000000 0.83346309857561 0.94422355301293 14.007 > 17 42 N 0.50000000000000 0.83346309857561 0.94422355301293 14.007 > 17 43 N 0.25000000000000 0.66653690142439 0.05577644698707 14.007 > 19 44 N 0.75000000000000 0.66653690142439 0.05577644698707 14.007 > 19 45 N 0.00000000000000 0.66653690142439 0.44422355301293 14.007 > 21 46 N 0.50000000000000 0.66653690142439 0.44422355301293 14.007 > 21 47 N 0.25000000000000 0.59439943404670 0.63319710526334 14.007 > 23 48 N 0.75000000000000 0.59439943404670 0.63319710526334 14.007 > 23 49 V 0.00000000000000 0.24410127964188 0.66710721059690 50.941 > 49 50 V 0.50000000000000 0.24410127964188 0.66710721059690 50.941 > 49 51 V 0.00000000000000 0.25589872035812 0.16710721059690 50.941 > 51 52 V 0.50000000000000 0.25589872035812 0.16710721059690 50.941 > 51 53 V 0.25000000000000 0.25589872035812 0.33289278940310 50.941 > 53 54 V 0.75000000000000 0.25589872035812 0.33289278940310 50.941 > 53 55 V 0.25000000000000 0.24410127964188 0.83289278940310 50.941 > 55 56 V 0.75000000000000 0.24410127964188 0.83289278940310 50.941 > 55 57 V 0.25000000000000 0.74410127964188 0.66710721059690 50.941 > 49 58 V 0.75000000000000 0.74410127964188 0.66710721059690 50.941 > 49 59 V 0.25000000000000 0.75589872035812 0.16710721059690 50.941 > 51 60 V 0.75000000000000 0.75589872035812 0.16710721059690 50.941 > 51 61 V 0.00000000000000 0.75589872035812 0.33289278940310 50.941 > 53 62 V 0.50000000000000 0.75589872035812 0.33289278940310 50.941 > 53 63 V 0.00000000000000 0.74410127964188 0.83289278940310 50.941 > 55 64 V 0.50000000000000 0.74410127964188 0.83289278940310 50.941 > 55 65 Ba 0.00000000000000 0.14113650069740 0.42129185330548 137.327 > 65 66 Ba 0.50000000000000 0.14113650069740 0.42129185330548 137.327 > 65 67 Ba 0.25000000000000 0.14113650069740 0.07870814669452 137.327 > 67 68 Ba 0.75000000000000 0.14113650069740 0.07870814669452 137.327 > 67 69 Ba 0.00000000000000 0.35886349930260 0.92129185330548 137.327 > 69 70 Ba 0.50000000000000 0.35886349930260 0.92129185330548 137.327 > 69 71 Ba 0.25000000000000 0.35886349930260 0.57870814669452 137.327 > 71 72 Ba 0.75000000000000 0.35886349930260 0.57870814669452 137.327 > 71 73 Ba 0.25000000000000 0.05603297837205 0.64502165956921 137.327 > 73 74 Ba 0.75000000000000 0.05603297837205 0.64502165956921 137.327 > 73 75 Ba 0.00000000000000 0.44396702162795 0.35497834043079 137.327 > 75 76 Ba 0.50000000000000 0.44396702162795 0.35497834043079 137.327 > 75 77 Ba 0.25000000000000 0.44396702162795 0.14502165956922 137.327 > 77 78 Ba 0.75000000000000 0.44396702162795 0.14502165956922 137.327 > 77 79 Ba 0.00000000000000 0.05603297837205 0.85497834043079 137.327 > 79 80 Ba 0.50000000000000 0.05603297837205 0.85497834043079 137.327 > 79 81 Ba 0.25000000000000 0.64113650069740 0.42129185330548 137.327 > 65 82 Ba 0.75000000000000 0.64113650069740 0.42129185330548 137.327 > 65 83 Ba 0.00000000000000 0.64113650069740 0.07870814669452 137.327 > 67 84 Ba 0.50000000000000 0.64113650069740 0.07870814669452 137.327 > 67 85 Ba 0.25000000000000 0.85886349930260 0.92129185330548 137.327 > 69 86 Ba 0.75000000000000 0.85886349930260 0.92129185330548 137.327 > 69 87 Ba 0.00000000000000 0.85886349930260 0.57870814669452 137.327 > 71 88 Ba 0.50000000000000 0.85886349930260 0.57870814669452 137.327 > 71 89 Ba 0.00000000000000 0.55603297837205 0.64502165956921 137.327 > 73 90 Ba 0.50000000000000 0.55603297837205 0.64502165956921 137.327 > 73 91 Ba 0.25000000000000 0.94396702162795 0.35497834043079 137.327 > 75 92 Ba 0.75000000000000 0.94396702162795 0.35497834043079 137.327 > 75 93 Ba 0.00000000000000 0.94396702162795 0.14502165956922 137.327 > 77 94 Ba 0.50000000000000 0.94396702162795 0.14502165956922 137.327 > 77 95 Ba 0.25000000000000 0.55603297837205 0.85497834043079 137.327 > 79 96 Ba 0.75000000000000 0.55603297837205 0.85497834043079 137.327 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0516448 0.0000000 0.0000000 0.0000000 6.8424668 0.0000000 0.0000000 0.0000000 7.6372719 -------------------------- Born effective charges -------------------------- 1 N -5.4085701 0.0000000 -2.4857514 0.0000000 -1.2098145 0.0000000 -1.8078626 0.0000000 -2.9397588 2 N -5.4085701 0.0000000 2.4857514 0.0000000 -1.2098145 0.0000000 1.8078626 0.0000000 -2.9397588 3 N -5.4085701 0.0000000 -2.4857514 0.0000000 -1.2098145 0.0000000 -1.8078626 0.0000000 -2.9397588 4 N -5.4085701 0.0000000 2.4857514 0.0000000 -1.2098145 0.0000000 1.8078626 0.0000000 -2.9397588 5 N -2.0746248 0.0000000 0.0000000 0.0000000 -4.0882955 0.5727829 0.0000000 1.0051629 -2.3358234 6 N -2.0746248 0.0000000 0.0000000 0.0000000 -4.0882955 0.5727829 0.0000000 1.0051629 -2.3358234 7 N -2.0746248 0.0000000 0.0000000 0.0000000 -4.0882955 -0.5727829 0.0000000 -1.0051629 -2.3358234 8 N -2.1783481 0.0000000 0.0000000 0.0000000 -2.9875221 1.1952798 0.0000000 1.3140768 -4.1107665 9 N -2.1783481 0.0000000 0.0000000 0.0000000 -2.9875221 -1.1952798 0.0000000 -1.3140768 -4.1107665 10 N -2.1783481 0.0000000 0.0000000 0.0000000 -2.9875221 -1.1952798 0.0000000 -1.3140768 -4.1107665 11 N -2.1783481 0.0000000 0.0000000 0.0000000 -2.9875221 1.1952798 0.0000000 1.3140768 -4.1107665 12 N -2.0746248 0.0000000 0.0000000 0.0000000 -4.0882955 -0.5727829 0.0000000 -1.0051629 -2.3358234 13 V 4.7118734 0.0000000 0.0000000 0.0000000 2.7891079 -0.5605292 0.0000000 0.0549539 3.4393968 14 V 4.7118734 0.0000000 0.0000000 0.0000000 2.7891079 0.5605292 0.0000000 -0.0549539 3.4393968 15 V 4.7118734 0.0000000 0.0000000 0.0000000 2.7891079 -0.5605292 0.0000000 0.0549539 3.4393968 16 V 4.7118734 0.0000000 0.0000000 0.0000000 2.7891079 0.5605292 0.0000000 -0.0549539 3.4393968 17 Ba 2.2023920 0.0000000 0.0000000 0.0000000 2.4118249 0.2475065 0.0000000 0.3381272 3.1043163 18 Ba 2.2023920 0.0000000 0.0000000 0.0000000 2.4118249 -0.2475065 0.0000000 -0.3381272 3.1043163 19 Ba 2.2023920 0.0000000 0.0000000 0.0000000 2.4118249 -0.2475065 0.0000000 -0.3381272 3.1043163 20 Ba 2.2023920 0.0000000 0.0000000 0.0000000 2.4118249 0.2475065 0.0000000 0.3381272 3.1043163 21 Ba 2.7472777 0.0000000 0.0000000 0.0000000 3.0846993 0.3196595 0.0000000 0.0086893 2.8426357 22 Ba 2.7472777 0.0000000 0.0000000 0.0000000 3.0846993 0.3196595 0.0000000 0.0086893 2.8426357 23 Ba 2.7472777 0.0000000 0.0000000 0.0000000 3.0846993 -0.3196595 0.0000000 -0.0086893 2.8426357 24 Ba 2.7472777 0.0000000 0.0000000 0.0000000 3.0846993 -0.3196595 0.0000000 -0.0086893 2.8426357 ---------------------------------------------------------------------------- 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[ 15, 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xzx) 0.00000001 (xzx) 0.00000001 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 03:37:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:37:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.928433025000000 -5.779528860000000 0.000000000000000 b 2.928433025000000 5.779528860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.932287459999998 Atomic positions (fractional): 1 N 0.97435159777955 0.52564840222045 0.75000000000000 14.007 2 N 0.52564840222045 0.97435159777955 0.25000000000000 14.007 3 N 0.02564840222045 0.47435159777955 0.25000000000000 14.007 4 N 0.47435159777955 0.02564840222045 0.75000000000000 14.007 5 N 0.40560056595330 0.59439943404670 0.86680289473666 14.007 6 N 0.59439943404670 0.40560056595330 0.13319710526334 14.007 7 N 0.09439943404670 0.90560056595330 0.36680289473666 14.007 8 N 0.66653690142439 0.33346309857561 0.55577644698707 14.007 9 N 0.16653690142439 0.83346309857561 0.94422355301293 14.007 10 N 0.83346309857561 0.16653690142439 0.05577644698707 14.007 11 N 0.33346309857561 0.66653690142439 0.44422355301293 14.007 12 N 0.90560056595330 0.09439943404670 0.63319710526334 14.007 13 V 0.75589872035812 0.24410127964188 0.66710721059690 50.941 14 V 0.74410127964188 0.25589872035812 0.16710721059690 50.941 15 V 0.24410127964188 0.75589872035812 0.33289278940310 50.941 16 V 0.25589872035812 0.74410127964188 0.83289278940310 50.941 17 Ba 0.85886349930260 0.14113650069740 0.42129185330548 137.327 18 Ba 0.35886349930260 0.64113650069740 0.07870814669452 137.327 19 Ba 0.64113650069740 0.35886349930260 0.92129185330548 137.327 20 Ba 0.14113650069740 0.85886349930260 0.57870814669452 137.327 21 Ba 0.44396702162795 0.55603297837205 0.64502165956921 137.327 22 Ba 0.55603297837205 0.44396702162795 0.35497834043079 137.327 23 Ba 0.05603297837205 0.94396702162795 0.14502165956922 137.327 24 Ba 0.94396702162795 0.05603297837205 0.85497834043079 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.713732100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.559057720000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.932287459999998 Atomic positions (fractional): 1 N 0.12500000000000 0.27564840222045 0.75000000000000 14.007 > 1 2 N 0.62500000000000 0.27564840222045 0.75000000000000 14.007 > 1 3 N 0.37500000000000 0.22435159777955 0.25000000000000 14.007 > 3 4 N 0.87500000000000 0.22435159777955 0.25000000000000 14.007 > 3 5 N 0.12500000000000 0.22435159777955 0.25000000000000 14.007 > 5 6 N 0.62500000000000 0.22435159777955 0.25000000000000 14.007 > 5 7 N 0.37500000000000 0.27564840222045 0.75000000000000 14.007 > 7 8 N 0.87500000000000 0.27564840222045 0.75000000000000 14.007 > 7 9 N 0.25000000000000 0.09439943404670 0.86680289473666 14.007 > 9 10 N 0.75000000000000 0.09439943404670 0.86680289473666 14.007 > 9 11 N 0.00000000000000 0.40560056595330 0.13319710526334 14.007 > 11 12 N 0.50000000000000 0.40560056595330 0.13319710526334 14.007 > 11 13 N 0.25000000000000 0.40560056595330 0.36680289473666 14.007 > 13 14 N 0.75000000000000 0.40560056595330 0.36680289473666 14.007 > 13 15 N 0.00000000000000 0.33346309857561 0.55577644698707 14.007 > 15 16 N 0.50000000000000 0.33346309857561 0.55577644698707 14.007 > 15 17 N 0.25000000000000 0.33346309857561 0.94422355301293 14.007 > 17 18 N 0.75000000000000 0.33346309857561 0.94422355301293 14.007 > 17 19 N 0.00000000000000 0.16653690142439 0.05577644698707 14.007 > 19 20 N 0.50000000000000 0.16653690142439 0.05577644698707 14.007 > 19 21 N 0.25000000000000 0.16653690142439 0.44422355301293 14.007 > 21 22 N 0.75000000000000 0.16653690142439 0.44422355301293 14.007 > 21 23 N 0.00000000000000 0.09439943404670 0.63319710526334 14.007 > 23 24 N 0.50000000000000 0.09439943404670 0.63319710526334 14.007 > 23 25 N 0.37500000000000 0.77564840222045 0.75000000000000 14.007 > 1 26 N 0.87500000000000 0.77564840222045 0.75000000000000 14.007 > 1 27 N 0.12500000000000 0.72435159777955 0.25000000000000 14.007 > 3 28 N 0.62500000000000 0.72435159777955 0.25000000000000 14.007 > 3 29 N 0.37500000000000 0.72435159777955 0.25000000000000 14.007 > 5 30 N 0.87500000000000 0.72435159777955 0.25000000000000 14.007 > 5 31 N 0.12500000000000 0.77564840222045 0.75000000000000 14.007 > 7 32 N 0.62500000000000 0.77564840222045 0.75000000000000 14.007 > 7 33 N 0.00000000000000 0.59439943404670 0.86680289473666 14.007 > 9 34 N 0.50000000000000 0.59439943404670 0.86680289473666 14.007 > 9 35 N 0.25000000000000 0.90560056595330 0.13319710526334 14.007 > 11 36 N 0.75000000000000 0.90560056595330 0.13319710526334 14.007 > 11 37 N 0.00000000000000 0.90560056595330 0.36680289473666 14.007 > 13 38 N 0.50000000000000 0.90560056595330 0.36680289473666 14.007 > 13 39 N 0.25000000000000 0.83346309857561 0.55577644698707 14.007 > 15 40 N 0.75000000000000 0.83346309857561 0.55577644698707 14.007 > 15 41 N 0.00000000000000 0.83346309857561 0.94422355301293 14.007 > 17 42 N 0.50000000000000 0.83346309857561 0.94422355301293 14.007 > 17 43 N 0.25000000000000 0.66653690142439 0.05577644698707 14.007 > 19 44 N 0.75000000000000 0.66653690142439 0.05577644698707 14.007 > 19 45 N 0.00000000000000 0.66653690142439 0.44422355301293 14.007 > 21 46 N 0.50000000000000 0.66653690142439 0.44422355301293 14.007 > 21 47 N 0.25000000000000 0.59439943404670 0.63319710526334 14.007 > 23 48 N 0.75000000000000 0.59439943404670 0.63319710526334 14.007 > 23 49 V 0.00000000000000 0.24410127964188 0.66710721059690 50.941 > 49 50 V 0.50000000000000 0.24410127964188 0.66710721059690 50.941 > 49 51 V 0.00000000000000 0.25589872035812 0.16710721059690 50.941 > 51 52 V 0.50000000000000 0.25589872035812 0.16710721059690 50.941 > 51 53 V 0.25000000000000 0.25589872035812 0.33289278940310 50.941 > 53 54 V 0.75000000000000 0.25589872035812 0.33289278940310 50.941 > 53 55 V 0.25000000000000 0.24410127964188 0.83289278940310 50.941 > 55 56 V 0.75000000000000 0.24410127964188 0.83289278940310 50.941 > 55 57 V 0.25000000000000 0.74410127964188 0.66710721059690 50.941 > 49 58 V 0.75000000000000 0.74410127964188 0.66710721059690 50.941 > 49 59 V 0.25000000000000 0.75589872035812 0.16710721059690 50.941 > 51 60 V 0.75000000000000 0.75589872035812 0.16710721059690 50.941 > 51 61 V 0.00000000000000 0.75589872035812 0.33289278940310 50.941 > 53 62 V 0.50000000000000 0.75589872035812 0.33289278940310 50.941 > 53 63 V 0.00000000000000 0.74410127964188 0.83289278940310 50.941 > 55 64 V 0.50000000000000 0.74410127964188 0.83289278940310 50.941 > 55 65 Ba 0.00000000000000 0.14113650069740 0.42129185330548 137.327 > 65 66 Ba 0.50000000000000 0.14113650069740 0.42129185330548 137.327 > 65 67 Ba 0.25000000000000 0.14113650069740 0.07870814669452 137.327 > 67 68 Ba 0.75000000000000 0.14113650069740 0.07870814669452 137.327 > 67 69 Ba 0.00000000000000 0.35886349930260 0.92129185330548 137.327 > 69 70 Ba 0.50000000000000 0.35886349930260 0.92129185330548 137.327 > 69 71 Ba 0.25000000000000 0.35886349930260 0.57870814669452 137.327 > 71 72 Ba 0.75000000000000 0.35886349930260 0.57870814669452 137.327 > 71 73 Ba 0.25000000000000 0.05603297837205 0.64502165956921 137.327 > 73 74 Ba 0.75000000000000 0.05603297837205 0.64502165956921 137.327 > 73 75 Ba 0.00000000000000 0.44396702162795 0.35497834043079 137.327 > 75 76 Ba 0.50000000000000 0.44396702162795 0.35497834043079 137.327 > 75 77 Ba 0.25000000000000 0.44396702162795 0.14502165956922 137.327 > 77 78 Ba 0.75000000000000 0.44396702162795 0.14502165956922 137.327 > 77 79 Ba 0.00000000000000 0.05603297837205 0.85497834043079 137.327 > 79 80 Ba 0.50000000000000 0.05603297837205 0.85497834043079 137.327 > 79 81 Ba 0.25000000000000 0.64113650069740 0.42129185330548 137.327 > 65 82 Ba 0.75000000000000 0.64113650069740 0.42129185330548 137.327 > 65 83 Ba 0.00000000000000 0.64113650069740 0.07870814669452 137.327 > 67 84 Ba 0.50000000000000 0.64113650069740 0.07870814669452 137.327 > 67 85 Ba 0.25000000000000 0.85886349930260 0.92129185330548 137.327 > 69 86 Ba 0.75000000000000 0.85886349930260 0.92129185330548 137.327 > 69 87 Ba 0.00000000000000 0.85886349930260 0.57870814669452 137.327 > 71 88 Ba 0.50000000000000 0.85886349930260 0.57870814669452 137.327 > 71 89 Ba 0.00000000000000 0.55603297837205 0.64502165956921 137.327 > 73 90 Ba 0.50000000000000 0.55603297837205 0.64502165956921 137.327 > 73 91 Ba 0.25000000000000 0.94396702162795 0.35497834043079 137.327 > 75 92 Ba 0.75000000000000 0.94396702162795 0.35497834043079 137.327 > 75 93 Ba 0.00000000000000 0.94396702162795 0.14502165956922 137.327 > 77 94 Ba 0.50000000000000 0.94396702162795 0.14502165956922 137.327 > 77 95 Ba 0.25000000000000 0.55603297837205 0.85497834043079 137.327 > 79 96 Ba 0.75000000000000 0.55603297837205 0.85497834043079 137.327 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.0516448 0.0000000 0.0000000 0.0000000 6.8424668 0.0000000 0.0000000 0.0000000 7.6372719 -------------------------- Born effective charges -------------------------- 1 N -5.4085701 0.0000000 -2.4857514 0.0000000 -1.2098145 0.0000000 -1.8078626 0.0000000 -2.9397588 2 N -5.4085701 0.0000000 2.4857514 0.0000000 -1.2098145 0.0000000 1.8078626 0.0000000 -2.9397588 3 N -5.4085701 0.0000000 -2.4857514 0.0000000 -1.2098145 0.0000000 -1.8078626 0.0000000 -2.9397588 4 N -5.4085701 0.0000000 2.4857514 0.0000000 -1.2098145 0.0000000 1.8078626 0.0000000 -2.9397588 5 N -2.0746248 0.0000000 0.0000000 0.0000000 -4.0882955 0.5727829 0.0000000 1.0051629 -2.3358234 6 N -2.0746248 0.0000000 0.0000000 0.0000000 -4.0882955 0.5727829 0.0000000 1.0051629 -2.3358234 7 N -2.0746248 0.0000000 0.0000000 0.0000000 -4.0882955 -0.5727829 0.0000000 -1.0051629 -2.3358234 8 N -2.1783481 0.0000000 0.0000000 0.0000000 -2.9875221 1.1952798 0.0000000 1.3140768 -4.1107665 9 N -2.1783481 0.0000000 0.0000000 0.0000000 -2.9875221 -1.1952798 0.0000000 -1.3140768 -4.1107665 10 N -2.1783481 0.0000000 0.0000000 0.0000000 -2.9875221 -1.1952798 0.0000000 -1.3140768 -4.1107665 11 N -2.1783481 0.0000000 0.0000000 0.0000000 -2.9875221 1.1952798 0.0000000 1.3140768 -4.1107665 12 N -2.0746248 0.0000000 0.0000000 0.0000000 -4.0882955 -0.5727829 0.0000000 -1.0051629 -2.3358234 13 V 4.7118734 0.0000000 0.0000000 0.0000000 2.7891079 -0.5605292 0.0000000 0.0549539 3.4393968 14 V 4.7118734 0.0000000 0.0000000 0.0000000 2.7891079 0.5605292 0.0000000 -0.0549539 3.4393968 15 V 4.7118734 0.0000000 0.0000000 0.0000000 2.7891079 -0.5605292 0.0000000 0.0549539 3.4393968 16 V 4.7118734 0.0000000 0.0000000 0.0000000 2.7891079 0.5605292 0.0000000 -0.0549539 3.4393968 17 Ba 2.2023920 0.0000000 0.0000000 0.0000000 2.4118249 0.2475065 0.0000000 0.3381272 3.1043163 18 Ba 2.2023920 0.0000000 0.0000000 0.0000000 2.4118249 -0.2475065 0.0000000 -0.3381272 3.1043163 19 Ba 2.2023920 0.0000000 0.0000000 0.0000000 2.4118249 -0.2475065 0.0000000 -0.3381272 3.1043163 20 Ba 2.2023920 0.0000000 0.0000000 0.0000000 2.4118249 0.2475065 0.0000000 0.3381272 3.1043163 21 Ba 2.7472777 0.0000000 0.0000000 0.0000000 3.0846993 0.3196595 0.0000000 0.0086893 2.8426357 22 Ba 2.7472777 0.0000000 0.0000000 0.0000000 3.0846993 0.3196595 0.0000000 0.0086893 2.8426357 23 Ba 2.7472777 0.0000000 0.0000000 0.0000000 3.0846993 -0.3196595 0.0000000 -0.0086893 2.8426357 24 Ba 2.7472777 0.0000000 0.0000000 0.0000000 3.0846993 -0.3196595 0.0000000 -0.0086893 2.8426357 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xzx) 0.00000001 (xzx) 0.00000001 (xxz) 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 ... [ 10 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 311, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.611 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 0.000 0.000) 0.000 1.923 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.170 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 7.469 ( 0.000 0.000 0.000) 0.000 7.618 ( 0.000 0.000 0.000) 0.000 7.702 ( 0.000 0.000 0.000) 0.000 9.274 ( 0.000 0.000 0.000) 0.000 9.429 ( 0.000 0.000 0.000) 0.000 9.805 ( 0.000 0.000 0.000) 0.000 9.956 ( 0.000 0.000 0.000) 0.000 10.631 ( 0.000 0.000 0.000) 0.000 10.652 ( 0.000 0.000 0.000) 0.000 10.855 ( 0.000 0.000 0.000) 0.000 11.248 ( 0.000 0.000 0.000) 0.000 11.508 ( 0.000 0.000 0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000 11.856 ( 0.000 0.000 0.000) 0.000 12.097 ( 0.000 0.000 0.000) 0.000 12.732 ( 0.000 0.000 0.000) 0.000 12.962 ( 0.000 0.000 0.000) 0.000 13.970 ( 0.000 0.000 0.000) 0.000 14.123 ( 0.000 0.000 0.000) 0.000 14.561 ( 0.000 0.000 0.000) 0.000 14.642 ( 0.000 0.000 0.000) 0.000 21.134 ( 0.000 0.000 0.000) 0.000 21.233 ( 0.000 0.000 0.000) 0.000 21.243 ( 0.000 0.000 0.000) 0.000 21.254 ( 0.000 0.000 0.000) 0.000 21.601 ( 0.000 0.000 0.000) 0.000 21.904 ( 0.000 0.000 0.000) 0.000 22.083 ( 0.000 0.000 0.000) 0.000 23.532 ( 0.000 0.000 0.000) 0.000 24.190 ( 0.000 0.000 0.000) 0.000 24.397 ( 0.000 0.000 0.000) 0.000 27.103 ( 0.000 0.000 0.000) 0.000 27.365 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 26.134 -7.164 0.000) 27.099 0.518 ( 16.978 -25.897 0.000) 30.966 0.967 ( 49.107 -9.182 0.000) 49.958 1.699 ( 7.607 0.053 0.000) 7.608 1.702 ( 0.285 -1.997 0.000) 2.017 1.775 ( 1.253 -4.679 0.000) 4.844 1.975 ( 4.271 -2.315 0.000) 4.858 2.128 ( 14.047 -0.956 0.000) 14.079 2.172 ( 5.191 2.562 0.000) 5.789 2.336 ( 3.600 -0.275 0.000) 3.611 2.428 ( 10.727 1.173 0.000) 10.791 2.623 ( 0.013 0.447 0.000) 0.447 2.670 ( 2.070 -2.407 0.000) 3.174 2.714 ( 3.096 10.104 0.000) 10.568 2.815 ( 11.331 -1.400 0.000) 11.417 2.836 ( 3.634 -3.110 0.000) 4.783 3.029 ( 0.970 -0.334 0.000) 1.026 3.130 ( -4.247 -4.195 0.000) 5.970 3.324 ( -0.260 0.862 0.000) 0.900 3.339 ( -1.631 1.903 0.000) 2.506 3.528 ( -0.602 1.312 0.000) 1.444 3.569 ( 4.528 3.296 0.000) 5.600 3.576 ( -2.502 -1.878 0.000) 3.128 3.778 ( -2.101 -1.119 0.000) 2.381 3.895 ( 1.947 0.185 0.000) 1.955 4.090 ( 10.139 0.204 0.000) 10.141 4.344 ( 4.612 8.772 0.000) 9.911 4.563 ( 16.470 4.532 0.000) 17.082 4.809 ( 0.052 0.846 0.000) 0.848 5.367 ( 5.380 3.562 0.000) 6.453 5.596 ( -1.883 2.081 0.000) 2.807 5.769 ( -17.331 5.721 0.000) 18.251 6.084 ( -1.826 -8.970 0.000) 9.154 6.606 ( 15.456 -0.477 0.000) 15.464 6.826 ( 3.782 2.510 0.000) 4.539 6.959 ( 5.735 -5.363 0.000) 7.851 6.993 ( -1.869 -0.789 0.000) 2.028 6.997 ( 38.800 -0.953 0.000) 38.812 7.209 ( -6.798 -18.234 0.000) 19.460 7.647 ( 19.701 0.043 0.000) 19.701 7.697 ( 8.434 -0.603 0.000) 8.456 7.823 ( 13.341 0.691 0.000) 13.359 9.167 ( -11.254 0.166 0.000) 11.255 9.367 ( -5.540 2.180 0.000) 5.954 9.631 ( -16.575 0.472 0.000) 16.582 9.845 ( -11.019 2.328 0.000) 11.263 10.706 ( 6.377 1.459 0.000) 6.542 10.803 ( 16.983 1.286 0.000) 17.031 11.283 ( 4.136 1.257 0.000) 4.323 11.415 ( 14.773 11.412 0.000) 18.667 11.526 ( 2.431 -1.800 0.000) 3.025 11.601 ( -1.646 3.320 0.000) 3.706 11.863 ( -3.642 -7.594 0.000) 8.422 12.108 ( 1.926 0.961 0.000) 2.153 12.506 ( -24.313 -0.321 0.000) 24.316 12.789 ( -16.888 1.791 0.000) 16.983 13.970 ( 1.948 3.257 0.000) 3.796 14.171 ( 3.527 -0.844 0.000) 3.627 14.681 ( 11.834 -0.048 0.000) 11.834 14.728 ( 8.387 -0.148 0.000) 8.388 21.161 ( 0.971 -4.159 0.000) 4.271 21.238 ( -0.767 -0.694 0.000) 1.035 21.261 ( 2.532 -0.747 0.000) 2.640 21.610 ( 0.885 -0.252 0.000) 0.920 21.878 ( -2.859 -0.006 0.000) 2.859 21.925 ( 9.461 24.035 0.000) 25.831 23.433 ( -9.738 3.023 0.000) 10.197 23.904 ( -24.274 0.900 0.000) 24.290 24.560 ( 17.620 -0.582 0.000) 17.630 24.941 ( 28.430 12.823 0.000) 31.188 27.077 ( -3.123 0.082 0.000) 3.124 27.291 ( -8.071 -0.018 0.000) 8.071 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 24.499 -6.971 0.000) 25.471 1.020 ( 16.998 -22.407 0.000) 28.124 1.733 ( 1.989 -1.358 0.000) 2.408 1.777 ( 34.338 -6.833 0.000) 35.011 1.796 ( 4.998 1.316 0.000) 5.168 1.864 ( 1.953 -7.395 0.000) 7.648 2.079 ( 4.032 -4.218 0.000) 5.835 2.220 ( 3.574 3.692 0.000) 5.139 2.297 ( 5.724 0.724 0.000) 5.769 2.409 ( 4.322 2.407 0.000) 4.947 2.562 ( 3.287 -0.225 0.000) 3.294 2.647 ( 3.854 1.314 0.000) 4.072 2.723 ( 4.774 0.807 0.000) 4.842 2.723 ( 0.731 0.138 0.000) 0.744 2.911 ( 1.155 -3.503 0.000) 3.688 3.031 ( 4.247 -5.013 0.000) 6.570 3.111 ( 7.353 -3.275 0.000) 8.049 3.119 ( 2.228 0.802 0.000) 2.368 3.294 ( -0.417 2.596 0.000) 2.630 3.349 ( 5.282 3.833 0.000) 6.527 3.484 ( -3.443 0.092 0.000) 3.444 3.554 ( -1.662 -1.419 0.000) 2.186 3.713 ( 17.152 0.575 0.000) 17.162 3.767 ( -0.726 -2.580 0.000) 2.680 3.944 ( 4.059 -0.039 0.000) 4.059 4.304 ( 14.007 0.326 0.000) 14.011 4.364 ( 4.019 3.877 0.000) 5.584 4.805 ( 1.109 2.012 0.000) 2.297 4.864 ( 20.721 2.040 0.000) 20.821 5.418 ( -9.205 5.183 0.000) 10.564 5.470 ( 13.145 9.564 0.000) 16.256 5.647 ( -0.765 -2.375 0.000) 2.495 6.162 ( 2.963 -6.244 0.000) 6.911 6.813 ( -1.178 2.082 0.000) 2.392 6.891 ( 7.822 5.234 0.000) 9.412 7.061 ( 9.345 -5.713 0.000) 10.953 7.112 ( 12.744 -7.302 0.000) 14.688 7.389 ( 17.605 -1.824 0.000) 17.699 7.670 ( 38.001 -0.229 0.000) 38.002 7.886 ( 11.802 -1.180 0.000) 11.861 8.073 ( 23.139 1.326 0.000) 23.177 8.110 ( 24.065 -1.503 0.000) 24.112 8.946 ( -12.097 1.008 0.000) 12.139 9.231 ( -7.040 3.063 0.000) 7.677 9.324 ( -17.119 0.932 0.000) 17.144 9.615 ( -10.817 4.287 0.000) 11.636 10.811 ( 7.029 2.764 0.000) 7.553 11.069 ( 12.425 2.228 0.000) 12.623 11.333 ( 3.309 3.662 0.000) 4.936 11.464 ( -0.461 -0.095 0.000) 0.471 11.499 ( -7.881 3.194 0.000) 8.504 11.725 ( 13.972 -2.712 0.000) 14.233 11.808 ( -15.744 -9.854 0.000) 18.574 12.018 ( -27.526 -1.114 0.000) 27.549 12.155 ( 5.303 1.532 0.000) 5.520 12.489 ( -10.617 4.261 0.000) 11.440 13.995 ( 6.114 5.706 0.000) 8.364 14.272 ( 9.127 2.355 0.000) 9.426 14.864 ( 6.025 -0.238 0.000) 6.030 14.884 ( 9.588 -0.567 0.000) 9.604 21.233 ( 1.755 -6.558 0.000) 6.788 21.235 ( -0.611 -1.606 0.000) 1.718 21.316 ( 1.434 -3.318 0.000) 3.615 21.631 ( 1.786 0.956 0.000) 2.026 21.815 ( -4.589 -0.663 0.000) 4.637 21.863 ( 0.708 9.833 0.000) 9.859 23.167 ( -16.446 4.874 0.000) 17.153 23.457 ( -26.038 1.221 0.000) 26.067 24.958 ( 27.657 1.033 0.000) 27.676 25.328 ( 27.313 9.044 0.000) 28.771 26.992 ( -6.715 0.405 0.000) 6.727 27.118 ( -11.861 -0.695 0.000) 11.882 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 19.330 -5.492 0.000) 20.095 1.471 ( 15.667 -16.292 0.000) 22.602 1.816 ( 6.032 -3.310 0.000) 6.881 1.823 ( 2.057 2.924 0.000) 3.575 1.939 ( -0.022 -5.405 0.000) 5.406 2.158 ( 4.462 -3.244 0.000) 5.516 2.200 ( 4.510 -3.937 0.000) 5.987 2.230 ( 1.579 3.026 0.000) 3.413 2.358 ( 3.480 3.021 0.000) 4.609 2.405 ( -2.246 2.593 0.000) 3.431 2.666 ( 8.742 -0.670 0.000) 8.767 2.678 ( -4.403 0.456 0.000) 4.427 2.715 ( 1.340 -3.613 0.000) 3.853 2.828 ( 11.028 1.046 0.000) 11.077 2.963 ( 2.616 -0.088 0.000) 2.617 3.029 ( -4.312 -0.634 0.000) 4.358 3.163 ( 3.787 4.102 0.000) 5.583 3.252 ( 4.360 0.390 0.000) 4.377 3.335 ( 6.432 -4.923 0.000) 8.100 3.377 ( 1.878 3.914 0.000) 4.341 3.422 ( -3.689 0.195 0.000) 3.694 3.557 ( -0.147 -3.821 0.000) 3.824 3.799 ( 0.594 -4.460 0.000) 4.499 3.939 ( 3.359 1.152 0.000) 3.551 4.165 ( 19.510 -6.492 0.000) 20.562 4.414 ( 5.605 3.654 0.000) 6.690 4.518 ( 10.013 -0.123 0.000) 10.014 4.807 ( 2.071 4.370 0.000) 4.836 5.182 ( 15.949 0.239 0.000) 15.951 5.295 ( -1.663 1.628 0.000) 2.328 5.629 ( 12.921 7.112 0.000) 14.749 5.678 ( 1.814 -1.898 0.000) 2.626 6.285 ( 6.033 -4.024 0.000) 7.252 6.716 ( -4.880 3.075 0.000) 5.768 6.994 ( 10.335 7.897 0.000) 13.007 7.103 ( -3.961 -10.130 0.000) 10.877 7.684 ( 38.738 0.033 0.000) 38.738 7.771 ( 26.055 0.572 0.000) 26.062 8.084 ( 9.287 -1.826 0.000) 9.464 8.264 ( 29.954 -0.590 0.000) 29.960 8.329 ( 9.525 0.328 0.000) 9.531 8.594 ( 22.534 0.664 0.000) 22.544 8.838 ( 6.082 -0.198 0.000) 6.085 9.040 ( -12.701 1.110 0.000) 12.750 9.111 ( -5.734 2.640 0.000) 6.312 9.439 ( -5.011 4.194 0.000) 6.535 10.832 ( -7.899 2.250 0.000) 8.213 10.948 ( -28.221 -1.277 0.000) 28.249 11.326 ( 0.611 4.918 0.000) 4.956 11.333 ( -19.083 -2.480 0.000) 19.244 11.423 ( -6.059 6.243 0.000) 8.700 11.445 ( -2.168 -0.466 0.000) 2.217 11.875 ( 1.710 -3.284 0.000) 3.702 11.949 ( 5.892 -7.797 0.000) 9.773 12.270 ( 8.668 0.378 0.000) 8.677 12.409 ( 2.747 2.954 0.000) 4.034 14.098 ( 12.537 6.764 0.000) 14.245 14.438 ( 13.304 4.204 0.000) 13.952 14.902 ( -2.397 -0.762 0.000) 2.515 14.993 ( 1.723 -1.443 0.000) 2.248 21.246 ( 0.346 -1.428 0.000) 1.470 21.308 ( -0.649 -5.956 0.000) 5.992 21.380 ( 1.835 -7.350 0.000) 7.575 21.657 ( 3.301 2.455 0.000) 4.114 21.743 ( -4.809 -1.704 0.000) 5.102 21.792 ( -0.684 5.769 0.000) 5.809 22.825 ( -17.298 5.235 0.000) 18.072 23.016 ( -23.680 1.452 0.000) 23.724 25.439 ( 29.282 2.320 0.000) 29.374 25.709 ( 25.333 6.890 0.000) 26.253 26.833 ( -11.481 0.574 0.000) 11.495 26.914 ( -12.997 -1.365 0.000) 13.069 ======================= Grid point 4 (5/93) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 9.096 -2.054 0.000) 9.325 1.808 ( 9.776 -6.793 0.000) 11.905 1.829 ( 3.037 3.014 0.000) 4.279 1.958 ( -1.436 -3.686 0.000) 3.956 2.006 ( 9.869 -5.594 0.000) 11.345 2.214 ( -1.099 -3.299 0.000) 3.477 2.227 ( 0.528 1.799 0.000) 1.875 2.234 ( -1.196 -2.717 0.000) 2.968 2.337 ( -3.255 -1.456 0.000) 3.566 2.366 ( 1.849 5.050 0.000) 5.378 2.609 ( -3.099 -0.449 0.000) 3.131 2.644 ( -4.033 -0.037 0.000) 4.033 2.852 ( 5.811 2.414 0.000) 6.292 2.948 ( -3.198 2.728 0.000) 4.204 2.990 ( 2.282 2.850 0.000) 3.651 3.002 ( 4.459 -1.925 0.000) 4.857 3.207 ( 7.055 2.773 0.000) 7.581 3.305 ( 1.692 -1.168 0.000) 2.056 3.362 ( -2.936 -0.886 0.000) 3.067 3.363 ( 0.234 2.548 0.000) 2.559 3.510 ( 7.512 -3.982 0.000) 8.502 3.607 ( 0.745 -4.892 0.000) 4.948 3.840 ( -0.013 -2.953 0.000) 2.953 3.931 ( -1.859 1.929 0.000) 2.679 4.491 ( 6.539 2.861 0.000) 7.137 4.492 ( 9.790 -7.660 0.000) 12.430 4.627 ( 1.876 -2.467 0.000) 3.099 4.788 ( 1.442 7.789 0.000) 7.921 5.317 ( 4.011 0.001 0.000) 4.011 5.367 ( 4.936 -1.200 0.000) 5.080 5.731 ( 2.512 -1.162 0.000) 2.768 5.751 ( 5.532 2.651 0.000) 6.134 6.425 ( 6.865 -1.918 0.000) 7.128 6.619 ( -3.451 2.609 0.000) 4.326 7.086 ( 8.954 9.744 0.000) 13.234 7.123 ( -3.903 -9.548 0.000) 10.315 8.177 ( 21.724 4.425 0.000) 22.170 8.217 ( 3.929 -2.831 0.000) 4.843 8.359 ( 32.898 3.473 0.000) 33.081 8.408 ( 7.173 -0.699 0.000) 7.206 8.661 ( 11.006 -4.881 0.000) 12.040 8.853 ( -8.880 -0.585 0.000) 8.899 8.871 ( 22.305 1.863 0.000) 22.383 9.027 ( 0.912 5.026 0.000) 5.108 9.123 ( 9.573 -3.728 0.000) 10.273 9.421 ( 11.948 2.468 0.000) 12.200 10.257 ( -45.039 -0.881 0.000) 45.048 10.437 ( -35.809 -0.035 0.000) 35.809 11.175 ( 1.247 1.039 0.000) 1.623 11.282 ( -1.375 3.419 0.000) 3.685 11.393 ( 0.351 2.678 0.000) 2.700 11.405 ( -2.119 0.314 0.000) 2.142 11.983 ( 8.148 2.376 0.000) 8.487 12.059 ( -0.790 -8.249 0.000) 8.286 12.407 ( 5.294 -2.296 0.000) 5.771 12.455 ( 3.968 2.418 0.000) 4.646 14.304 ( 17.618 5.929 0.000) 18.589 14.641 ( 14.630 4.840 0.000) 15.410 14.794 ( -11.291 -1.876 0.000) 11.446 14.969 ( -6.433 -2.856 0.000) 7.039 21.267 ( 1.850 1.132 0.000) 2.169 21.314 ( -3.960 -5.919 0.000) 7.122 21.498 ( 3.648 -7.194 0.000) 8.066 21.678 ( -3.291 0.330 0.000) 3.308 21.707 ( 3.095 -0.096 0.000) 3.096 21.751 ( 1.276 4.441 0.000) 4.621 22.533 ( -10.505 4.386 0.000) 11.384 22.647 ( -17.643 0.578 0.000) 17.653 25.895 ( 26.142 2.282 0.000) 26.241 26.071 ( 22.712 4.515 0.000) 23.156 26.594 ( -16.218 -0.305 0.000) 16.221 26.685 ( -15.626 -1.452 0.000) 15.694 ======================= Grid point 5 (6/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 0.711 -2.474 0.000) 2.575 1.816 ( -0.711 2.474 0.000) 2.575 1.950 ( -2.489 -0.173 0.000) 2.495 1.950 ( 2.489 0.173 0.000) 2.495 2.177 ( 4.486 -3.105 0.000) 5.456 2.177 ( -4.486 3.105 0.000) 5.456 2.223 ( -1.127 -2.270 0.000) 2.535 2.223 ( 1.127 2.270 0.000) 2.535 2.344 ( -0.956 -5.269 0.000) 5.355 2.344 ( 0.956 5.269 0.000) 5.355 2.590 ( -1.518 -0.605 0.000) 1.634 2.590 ( 1.518 0.605 0.000) 1.634 2.892 ( -1.583 0.669 0.000) 1.718 2.892 ( 1.583 -0.669 0.000) 1.718 3.011 ( -2.054 -0.811 0.000) 2.209 3.011 ( 2.054 0.811 0.000) 2.209 3.303 ( -2.829 0.563 0.000) 2.885 3.303 ( 2.829 -0.563 0.000) 2.885 3.349 ( 0.227 -0.531 0.000) 0.577 3.349 ( -0.227 0.531 0.000) 0.577 3.624 ( -3.459 -1.318 0.000) 3.701 3.624 ( 3.459 1.318 0.000) 3.701 3.870 ( 2.203 -1.698 0.000) 2.782 3.870 ( -2.203 1.698 0.000) 2.782 4.569 ( -3.701 -1.394 0.000) 3.954 4.569 ( 3.701 1.394 0.000) 3.954 4.711 ( 1.290 -10.044 0.000) 10.127 4.711 ( -1.290 10.044 0.000) 10.127 5.385 ( -2.976 -0.820 0.000) 3.087 5.385 ( 2.976 0.820 0.000) 3.087 5.772 ( 0.824 -0.784 0.000) 1.137 5.772 ( -0.824 0.784 0.000) 1.137 6.539 ( -4.502 1.613 0.000) 4.782 6.539 ( 4.502 -1.613 0.000) 4.782 7.126 ( -5.878 -10.000 0.000) 11.599 7.126 ( 5.878 10.000 0.000) 11.599 8.274 ( -0.527 -3.878 0.000) 3.913 8.274 ( 0.527 3.878 0.000) 3.913 8.634 ( -15.878 -5.074 0.000) 16.669 8.634 ( 15.878 5.074 0.000) 16.669 8.712 ( -12.374 -3.349 0.000) 12.819 8.712 ( 12.374 3.349 0.000) 12.819 9.103 ( -9.335 -4.465 0.000) 10.348 9.103 ( 9.335 4.465 0.000) 10.348 9.476 ( -44.510 0.165 0.000) 44.510 9.476 ( 44.510 -0.165 0.000) 44.510 9.835 ( -32.071 0.325 0.000) 32.073 9.835 ( 32.071 -0.325 0.000) 32.073 11.223 ( -3.267 0.693 0.000) 3.340 11.223 ( 3.267 -0.693 0.000) 3.340 11.383 ( -0.258 -0.237 0.000) 0.351 11.383 ( 0.258 0.237 0.000) 0.351 12.067 ( -5.551 -6.176 0.000) 8.304 12.067 ( 5.551 6.176 0.000) 8.304 12.473 ( -0.327 -2.967 0.000) 2.985 12.473 ( 0.327 2.967 0.000) 2.985 14.568 ( -17.226 -3.825 0.000) 17.646 14.568 ( 17.226 3.825 0.000) 17.646 14.836 ( -12.253 -4.233 0.000) 12.964 14.836 ( 12.253 4.233 0.000) 12.964 21.291 ( -3.699 -4.308 0.000) 5.678 21.291 ( 3.699 4.308 0.000) 5.678 21.607 ( 3.360 -3.533 0.000) 4.876 21.607 ( -3.360 3.533 0.000) 4.876 21.746 ( -0.580 -2.508 0.000) 2.575 21.746 ( 0.580 2.508 0.000) 2.575 22.448 ( -4.871 -1.965 0.000) 5.253 22.448 ( 4.871 1.965 0.000) 5.253 26.284 ( -21.152 -1.433 0.000) 21.201 26.284 ( 21.152 1.433 0.000) 21.201 26.402 ( -19.410 -2.411 0.000) 19.559 26.402 ( 19.410 2.411 0.000) 19.559 ======================= Grid point 12 (7/93) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 23.231 -0.000 0.000) 23.231 0.945 ( 26.492 -0.000 0.000) 26.492 1.719 ( 38.932 -0.000 0.000) 38.932 1.746 ( 4.022 -0.000 0.000) 4.022 1.771 ( 1.934 -0.000 0.000) 1.934 1.812 ( 4.772 -0.000 0.000) 4.772 2.040 ( 4.022 -0.000 0.000) 4.022 2.278 ( 3.736 -0.000 0.000) 3.736 2.280 ( 5.475 -0.000 0.000) 5.475 2.441 ( 7.941 -0.000 0.000) 7.941 2.550 ( -3.694 0.000 0.000) 3.694 2.639 ( 7.309 -0.000 0.000) 7.309 2.746 ( 6.103 -0.000 0.000) 6.103 2.768 ( 2.276 -0.000 0.000) 2.276 2.843 ( -1.848 0.000 0.000) 1.848 2.995 ( 6.181 -0.000 0.000) 6.181 3.078 ( 5.801 -0.000 0.000) 5.801 3.125 ( 4.790 -0.000 0.000) 4.790 3.315 ( -1.795 0.000 0.000) 1.795 3.389 ( 6.921 -0.000 0.000) 6.921 3.470 ( -5.247 0.000 0.000) 5.247 3.553 ( -0.913 0.000 0.000) 0.913 3.729 ( 14.659 -0.000 0.000) 14.659 3.744 ( -1.427 0.000 0.000) 1.427 3.942 ( 3.212 -0.000 0.000) 3.212 4.307 ( 13.886 -0.000 0.000) 13.886 4.406 ( 2.778 -0.000 0.000) 2.778 4.823 ( 1.392 -0.000 0.000) 1.392 4.888 ( 19.237 -0.000 0.000) 19.237 5.493 ( -12.945 0.000 0.000) 12.945 5.572 ( 11.843 -0.000 0.000) 11.843 5.602 ( 0.432 -0.000 0.000) 0.432 6.101 ( 5.327 -0.000 0.000) 5.327 6.835 ( 0.552 -0.000 0.000) 0.552 6.923 ( -0.544 0.000 0.000) 0.544 6.938 ( 8.039 -0.000 0.000) 8.039 7.092 ( 24.852 -0.000 0.000) 24.852 7.372 ( 19.885 -0.000 0.000) 19.885 7.666 ( 38.144 -0.000 0.000) 38.144 7.875 ( 11.703 -0.000 0.000) 11.703 8.084 ( 29.926 -0.000 0.000) 29.926 8.099 ( 16.826 -0.000 0.000) 16.826 8.956 ( -11.814 0.000 0.000) 11.814 9.263 ( -7.025 0.000 0.000) 7.025 9.330 ( -17.651 0.000 0.000) 17.651 9.651 ( -11.733 0.000 0.000) 11.733 10.836 ( 6.872 -0.000 0.000) 6.872 11.089 ( 11.562 -0.000 0.000) 11.562 11.372 ( 4.881 -0.000 0.000) 4.881 11.469 ( -1.972 0.000 0.000) 1.972 11.573 ( -5.643 0.000 0.000) 5.643 11.672 ( -13.359 0.000 0.000) 13.359 11.692 ( 10.323 -0.000 0.000) 10.323 12.010 ( -29.875 0.000 0.000) 29.875 12.169 ( 4.914 -0.000 0.000) 4.914 12.527 ( -11.031 0.000 0.000) 11.031 14.068 ( 6.798 -0.000 0.000) 6.798 14.281 ( 9.412 -0.000 0.000) 9.412 14.862 ( 5.779 -0.000 0.000) 5.779 14.879 ( 9.568 -0.000 0.000) 9.568 21.175 ( 2.797 -0.000 0.000) 2.797 21.219 ( -0.778 0.000 0.000) 0.778 21.285 ( 0.254 -0.000 0.000) 0.254 21.637 ( 2.336 -0.000 0.000) 2.336 21.813 ( -4.517 0.000 0.000) 4.517 21.965 ( -5.439 0.000 0.000) 5.439 23.211 ( -17.046 0.000 0.000) 17.046 23.464 ( -26.139 0.000 0.000) 26.139 24.966 ( 28.325 -0.000 0.000) 28.325 25.424 ( 24.016 -0.000 0.000) 24.016 26.996 ( -6.392 0.000 0.000) 6.392 27.110 ( -12.400 0.000 0.000) 12.400 ======================= Grid point 13 (8/93) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 20.974 -10.184 0.000) 23.316 1.379 ( 22.502 -1.952 0.000) 22.587 1.798 ( 4.318 1.098 0.000) 4.455 1.856 ( 3.566 -3.976 0.000) 5.341 1.864 ( 2.480 1.490 0.000) 2.893 2.106 ( 3.028 -1.976 0.000) 3.616 2.169 ( 10.091 -0.479 0.000) 10.102 2.293 ( 1.686 3.891 0.000) 4.240 2.365 ( 2.661 -2.102 0.000) 3.391 2.446 ( -5.561 1.591 0.000) 5.784 2.635 ( 15.192 -1.679 0.000) 15.285 2.692 ( -0.773 -0.183 0.000) 0.794 2.734 ( -3.209 5.853 0.000) 6.675 2.877 ( 11.140 2.684 0.000) 11.459 2.881 ( 1.367 -7.566 0.000) 7.688 3.024 ( -0.214 0.686 0.000) 0.719 3.221 ( 8.337 -3.755 0.000) 9.144 3.236 ( 6.886 3.879 0.000) 7.903 3.288 ( -0.654 0.748 0.000) 0.993 3.396 ( -3.740 -2.990 0.000) 4.788 3.469 ( 3.881 3.474 0.000) 5.209 3.517 ( -3.256 -0.714 0.000) 3.334 3.735 ( -0.518 -2.255 0.000) 2.314 3.974 ( 4.049 2.793 0.000) 4.918 4.072 ( 17.129 -4.234 0.000) 17.645 4.470 ( 5.581 2.110 0.000) 5.966 4.519 ( 9.750 0.046 0.000) 9.750 4.857 ( 3.209 1.464 0.000) 3.527 5.192 ( 15.179 0.586 0.000) 15.190 5.340 ( -3.327 2.467 0.000) 4.142 5.636 ( 2.047 -2.216 0.000) 3.017 5.725 ( 7.596 3.282 0.000) 8.275 6.230 ( 8.273 -1.903 0.000) 8.489 6.762 ( -4.626 2.110 0.000) 5.084 6.939 ( -1.852 -6.897 0.000) 7.141 7.090 ( 10.671 2.917 0.000) 11.062 7.683 ( 40.278 -0.064 0.000) 40.278 7.776 ( 27.060 0.098 0.000) 27.060 8.061 ( 8.922 -0.689 0.000) 8.948 8.246 ( 27.774 -0.912 0.000) 27.789 8.334 ( 8.984 0.184 0.000) 8.986 8.607 ( 28.928 0.569 0.000) 28.934 8.832 ( -0.150 -0.287 0.000) 0.323 9.053 ( -14.073 0.376 0.000) 14.078 9.151 ( -4.758 1.427 0.000) 4.967 9.482 ( -6.871 1.061 0.000) 6.952 10.866 ( -8.996 1.361 0.000) 9.098 10.926 ( -30.628 -1.017 0.000) 30.645 11.305 ( -20.446 -0.754 0.000) 20.460 11.397 ( -1.530 2.374 0.000) 2.824 11.460 ( 2.219 1.592 0.000) 2.731 11.562 ( 2.931 9.028 0.000) 9.492 11.761 ( 0.147 -8.595 0.000) 8.596 11.827 ( 3.103 -4.851 0.000) 5.758 12.273 ( 6.709 -0.002 0.000) 6.709 12.452 ( 1.845 1.579 0.000) 2.429 14.208 ( 12.249 4.521 0.000) 13.057 14.476 ( 13.076 0.509 0.000) 13.086 14.893 ( -2.721 -0.261 0.000) 2.733 14.976 ( 1.144 -0.494 0.000) 1.246 21.221 ( 0.621 -1.013 0.000) 1.188 21.246 ( 2.566 -1.149 0.000) 2.811 21.279 ( -0.521 -3.888 0.000) 3.923 21.687 ( 3.841 0.829 0.000) 3.930 21.735 ( -4.267 0.152 0.000) 4.269 21.871 ( -3.157 2.730 0.000) 4.173 22.888 ( -18.591 1.874 0.000) 18.686 23.031 ( -24.113 0.316 0.000) 24.115 25.466 ( 29.328 0.799 0.000) 29.339 25.803 ( 22.381 3.202 0.000) 22.608 26.849 ( -11.018 1.082 0.000) 11.071 26.887 ( -13.856 -1.460 0.000) 13.933 ======================= Grid point 14 (9/93) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 15.524 -11.489 0.000) 19.313 1.702 ( 11.814 -0.364 0.000) 11.819 1.879 ( 4.079 -3.730 0.000) 5.527 1.883 ( 2.250 2.676 0.000) 3.496 1.954 ( 5.788 -1.583 0.000) 6.001 2.170 ( 1.951 -2.731 0.000) 3.357 2.192 ( -2.858 0.006 0.000) 2.858 2.279 ( 1.048 4.067 0.000) 4.200 2.342 ( -4.805 0.575 0.000) 4.839 2.412 ( 1.544 -0.733 0.000) 1.709 2.634 ( -2.413 4.327 0.000) 4.954 2.650 ( -3.172 0.597 0.000) 3.228 2.892 ( 8.998 0.645 0.000) 9.021 2.930 ( -2.446 -4.873 0.000) 5.452 3.020 ( 6.965 4.099 0.000) 8.081 3.022 ( 1.517 1.612 0.000) 2.214 3.274 ( 4.229 4.906 0.000) 6.477 3.278 ( -0.727 -1.106 0.000) 1.324 3.366 ( -1.297 0.661 0.000) 1.455 3.400 ( 7.052 -3.635 0.000) 7.934 3.495 ( 5.349 5.560 0.000) 7.715 3.511 ( -0.335 -6.036 0.000) 6.045 3.766 ( 0.266 -4.725 0.000) 4.733 3.969 ( -1.207 2.661 0.000) 2.922 4.357 ( 9.394 -7.010 0.000) 11.721 4.551 ( 6.369 3.352 0.000) 7.198 4.613 ( 1.186 0.066 0.000) 1.188 4.892 ( 3.083 4.163 0.000) 5.180 5.336 ( 4.469 1.893 0.000) 4.853 5.362 ( 5.260 0.516 0.000) 5.286 5.698 ( 2.581 -2.263 0.000) 3.432 5.777 ( 0.830 0.422 0.000) 0.931 6.392 ( 8.065 -1.704 0.000) 8.243 6.667 ( -3.979 2.843 0.000) 4.891 6.963 ( -3.430 -8.207 0.000) 8.895 7.225 ( 8.911 5.830 0.000) 10.649 8.175 ( 3.166 -1.815 0.000) 3.649 8.246 ( 25.666 3.220 0.000) 25.868 8.370 ( 24.771 -1.017 0.000) 24.792 8.426 ( 17.287 1.754 0.000) 17.375 8.570 ( 5.476 -4.604 0.000) 7.155 8.847 ( -10.198 -0.189 0.000) 10.200 8.909 ( 17.873 2.337 0.000) 18.025 9.060 ( 11.428 -3.260 0.000) 11.884 9.107 ( 3.260 3.636 0.000) 4.883 9.444 ( 7.709 0.279 0.000) 7.714 10.245 ( -44.392 -0.487 0.000) 44.394 10.436 ( -35.426 -0.090 0.000) 35.426 11.176 ( 0.238 -0.391 0.000) 0.458 11.326 ( -4.106 1.988 0.000) 4.562 11.469 ( 2.315 5.625 0.000) 6.082 11.516 ( 1.871 10.375 0.000) 10.542 11.892 ( -2.511 -9.509 0.000) 9.835 11.932 ( 7.080 -7.702 0.000) 10.461 12.376 ( 4.061 -1.521 0.000) 4.337 12.507 ( 5.422 3.045 0.000) 6.218 14.409 ( 16.025 5.479 0.000) 16.936 14.701 ( 13.917 1.901 0.000) 14.046 14.769 ( -12.144 -0.952 0.000) 12.181 14.928 ( -7.481 -1.672 0.000) 7.666 21.227 ( -3.895 -3.787 0.000) 5.432 21.261 ( 2.871 -1.209 0.000) 3.115 21.394 ( 6.478 -4.343 0.000) 7.799 21.673 ( -2.471 0.443 0.000) 2.510 21.747 ( 4.294 2.285 0.000) 4.864 21.824 ( 0.800 3.403 0.000) 3.496 22.590 ( -12.655 2.250 0.000) 12.854 22.652 ( -19.391 0.057 0.000) 19.391 25.927 ( 25.464 1.331 0.000) 25.499 26.138 ( 20.060 2.965 0.000) 20.278 26.596 ( -17.161 0.409 0.000) 17.166 26.657 ( -15.891 -1.665 0.000) 15.978 ======================= Grid point 15 (10/93) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -0.458 -1.510 0.000) 1.578 1.838 ( -0.342 -1.782 0.000) 1.815 1.942 ( 6.586 -0.609 0.000) 6.614 1.947 ( -0.676 0.140 0.000) 0.690 2.093 ( 6.016 -5.065 0.000) 7.864 2.151 ( -2.128 -2.619 0.000) 3.375 2.209 ( 0.292 -1.371 0.000) 1.402 2.288 ( 4.709 4.839 0.000) 6.752 2.298 ( 0.048 -0.156 0.000) 0.163 2.429 ( 1.786 3.387 0.000) 3.829 2.587 ( -2.776 0.933 0.000) 2.928 2.595 ( 0.840 0.900 0.000) 1.231 2.904 ( -2.590 -0.205 0.000) 2.598 2.910 ( -1.808 2.390 0.000) 2.997 3.016 ( -4.356 0.933 0.000) 4.454 3.033 ( 0.755 0.512 0.000) 0.912 3.265 ( -2.991 -1.977 0.000) 3.585 3.283 ( 1.683 1.009 0.000) 1.962 3.406 ( 4.867 4.224 0.000) 6.444 3.457 ( 3.367 7.717 0.000) 8.419 3.567 ( 0.143 -4.595 0.000) 4.598 3.607 ( 6.450 -2.134 0.000) 6.794 3.818 ( 1.410 -4.496 0.000) 4.712 3.900 ( -3.474 2.329 0.000) 4.182 4.526 ( 2.717 -9.592 0.000) 9.969 4.573 ( -4.990 0.229 0.000) 4.996 4.615 ( 4.084 3.512 0.000) 5.386 4.865 ( -1.134 7.338 0.000) 7.425 5.385 ( -1.144 0.689 0.000) 1.336 5.413 ( 4.882 2.323 0.000) 5.406 5.743 ( -0.518 -2.355 0.000) 2.412 5.766 ( -2.208 -1.426 0.000) 2.629 6.513 ( 4.333 -1.358 0.000) 4.540 6.568 ( -5.472 1.830 0.000) 5.770 6.956 ( -6.177 -9.078 0.000) 10.980 7.283 ( 4.831 7.630 0.000) 9.031 8.213 ( -0.925 -2.969 0.000) 3.110 8.338 ( -0.559 3.274 0.000) 3.321 8.512 ( -16.261 -7.731 0.000) 18.006 8.680 ( -11.426 -0.903 0.000) 11.462 8.685 ( 16.545 1.848 0.000) 16.648 8.778 ( 12.752 3.083 0.000) 13.119 9.032 ( -12.817 -3.385 0.000) 13.257 9.174 ( 5.763 3.536 0.000) 6.762 9.473 ( 45.301 -0.170 0.000) 45.301 9.478 ( -43.788 0.042 0.000) 43.788 9.825 ( 31.773 -0.867 0.000) 31.785 9.837 ( -32.887 -0.048 0.000) 32.887 11.201 ( 1.071 -1.187 0.000) 1.599 11.230 ( -5.405 0.934 0.000) 5.485 11.451 ( 2.029 6.674 0.000) 6.975 11.467 ( 2.369 8.467 0.000) 8.792 11.905 ( -6.400 -11.038 0.000) 12.759 12.079 ( 3.377 -4.769 0.000) 5.844 12.428 ( -0.173 -2.646 0.000) 2.651 12.546 ( 2.391 5.131 0.000) 5.661 14.514 ( -18.470 -2.331 0.000) 18.616 14.641 ( 15.284 4.250 0.000) 15.864 14.766 ( -13.602 -3.525 0.000) 14.051 14.899 ( 11.182 2.774 0.000) 11.521 21.205 ( -2.846 -4.921 0.000) 5.685 21.333 ( 4.992 0.479 0.000) 5.015 21.543 ( 6.442 -3.131 0.000) 7.163 21.642 ( -0.454 1.328 0.000) 1.403 21.766 ( 0.103 3.650 0.000) 3.652 21.823 ( 2.219 5.140 0.000) 5.598 22.406 ( -8.853 -2.595 0.000) 9.226 22.471 ( 1.612 0.796 0.000) 1.798 26.262 ( -22.323 -1.054 0.000) 22.347 26.308 ( 20.424 1.273 0.000) 20.464 26.360 ( -20.840 -2.269 0.000) 20.964 26.438 ( 17.396 1.632 0.000) 17.472 ======================= Grid point 16 (11/93) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -6.364 2.663 0.000) 6.899 1.774 ( -1.792 -2.658 0.000) 3.206 1.865 ( -7.710 0.603 0.000) 7.734 2.002 ( 1.849 2.145 0.000) 2.832 2.114 ( -4.452 4.027 0.000) 6.003 2.209 ( 2.942 -3.498 0.000) 4.570 2.212 ( -0.772 -0.395 0.000) 0.868 2.288 ( -2.481 -1.900 0.000) 3.125 2.302 ( 1.596 6.512 0.000) 6.705 2.425 ( 2.646 6.076 0.000) 6.627 2.596 ( 3.726 -2.454 0.000) 4.462 2.642 ( 3.877 -0.500 0.000) 3.909 2.849 ( -3.082 1.583 0.000) 3.465 2.878 ( -1.232 -3.686 0.000) 3.886 2.936 ( -4.302 -2.475 0.000) 4.963 3.043 ( 0.775 0.915 0.000) 1.199 3.181 ( -8.774 0.137 0.000) 8.775 3.302 ( 0.906 1.121 0.000) 1.442 3.409 ( -0.061 4.076 0.000) 4.076 3.424 ( 1.448 6.942 0.000) 7.091 3.552 ( -3.500 1.247 0.000) 3.715 3.670 ( 0.336 1.966 0.000) 1.994 3.859 ( 0.404 -0.038 0.000) 0.406 3.889 ( 2.001 -3.372 0.000) 3.921 4.464 ( -7.086 -0.515 0.000) 7.105 4.594 ( -4.554 4.433 0.000) 6.356 4.634 ( 0.490 -9.330 0.000) 9.343 4.719 ( -7.829 7.259 0.000) 10.676 5.336 ( -2.478 1.968 0.000) 3.165 5.404 ( -4.691 2.981 0.000) 5.558 5.692 ( -9.179 -3.903 0.000) 9.974 5.735 ( -2.451 -0.637 0.000) 2.532 6.453 ( -6.106 1.203 0.000) 6.224 6.579 ( 2.671 -1.991 0.000) 3.331 6.909 ( -8.989 -10.130 0.000) 13.543 7.274 ( 2.322 7.526 0.000) 7.876 8.103 ( -20.358 -3.897 0.000) 20.727 8.267 ( -4.827 2.838 0.000) 5.599 8.272 ( -21.664 -5.953 0.000) 22.467 8.425 ( -12.210 0.829 0.000) 12.238 8.704 ( -21.142 -0.484 0.000) 21.148 8.847 ( -25.611 -0.922 0.000) 25.627 8.863 ( 6.838 0.441 0.000) 6.852 8.964 ( 5.863 -1.564 0.000) 6.068 9.181 ( -8.500 2.741 0.000) 8.931 9.365 ( -18.536 -3.575 0.000) 18.877 10.274 ( 46.099 0.966 0.000) 46.109 10.436 ( 36.403 -0.116 0.000) 36.404 11.148 ( -2.655 -1.187 0.000) 2.908 11.227 ( 0.277 -2.266 0.000) 2.283 11.423 ( 0.307 4.808 0.000) 4.818 11.459 ( 3.873 5.907 0.000) 7.064 11.871 ( -7.301 -9.149 0.000) 11.705 12.124 ( -1.175 -1.424 0.000) 1.847 12.416 ( -3.694 -2.615 0.000) 4.526 12.474 ( -5.822 5.574 0.000) 8.060 14.219 ( -17.810 -3.704 0.000) 18.191 14.547 ( -15.938 -5.525 0.000) 16.868 14.833 ( 9.920 2.478 0.000) 10.225 15.019 ( 5.273 2.700 0.000) 5.924 21.217 ( -0.462 -4.170 0.000) 4.196 21.409 ( 5.622 4.056 0.000) 6.932 21.617 ( -0.229 5.433 0.000) 5.438 21.641 ( 1.309 -1.994 0.000) 2.385 21.704 ( -3.089 0.535 0.000) 3.135 21.789 ( 1.606 7.204 0.000) 7.381 22.439 ( 7.527 -6.345 0.000) 9.845 22.630 ( 15.397 -1.398 0.000) 15.461 25.853 ( -27.104 -2.432 0.000) 27.213 25.992 ( -25.155 -4.266 0.000) 25.515 26.605 ( 15.677 0.934 0.000) 15.704 26.703 ( 14.644 0.499 0.000) 14.652 ======================= Grid point 17 (12/93) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -13.815 7.597 0.000) 15.766 1.675 ( -11.265 6.544 0.000) 13.028 1.771 ( -1.442 -2.862 0.000) 3.205 1.898 ( -6.995 5.492 0.000) 8.893 2.044 ( 2.353 6.675 0.000) 7.077 2.189 ( -2.492 -1.756 0.000) 3.048 2.221 ( -4.684 3.252 0.000) 5.702 2.255 ( -1.105 1.230 0.000) 1.654 2.288 ( -1.848 -4.300 0.000) 4.680 2.414 ( 1.659 4.844 0.000) 5.120 2.670 ( -2.993 0.656 0.000) 3.064 2.689 ( 4.871 0.433 0.000) 4.891 2.799 ( 2.087 4.509 0.000) 4.969 2.894 ( -14.098 9.167 0.000) 16.816 2.915 ( -2.259 -4.762 0.000) 5.271 2.947 ( 2.465 -8.649 0.000) 8.994 3.090 ( -2.194 -4.407 0.000) 4.922 3.275 ( -2.807 2.740 0.000) 3.922 3.349 ( -3.010 2.812 0.000) 4.119 3.418 ( 1.603 0.684 0.000) 1.743 3.454 ( -3.436 5.826 0.000) 6.764 3.630 ( -0.500 4.210 0.000) 4.240 3.863 ( 0.117 2.468 0.000) 2.471 3.918 ( -1.753 -1.846 0.000) 2.546 4.298 ( -21.869 8.617 0.000) 23.505 4.363 ( -5.610 -1.957 0.000) 5.941 4.529 ( -11.246 1.233 0.000) 11.314 4.708 ( 0.088 -6.857 0.000) 6.857 5.187 ( -17.979 0.745 0.000) 17.994 5.298 ( 0.998 1.883 0.000) 2.131 5.502 ( -17.376 -6.949 0.000) 18.714 5.695 ( -2.254 0.150 0.000) 2.259 6.352 ( -3.245 3.386 0.000) 4.690 6.660 ( 4.175 -3.235 0.000) 5.282 6.833 ( -9.704 -10.083 0.000) 13.994 7.252 ( 2.666 6.634 0.000) 7.149 7.681 ( -35.054 -0.268 0.000) 35.055 7.754 ( -25.339 -1.469 0.000) 25.382 8.120 ( -9.735 2.251 0.000) 9.992 8.246 ( -32.864 -2.989 0.000) 33.000 8.320 ( -11.651 -0.799 0.000) 11.678 8.591 ( -13.403 0.481 0.000) 13.411 8.832 ( -13.963 -1.045 0.000) 14.002 9.018 ( 10.653 -1.259 0.000) 10.727 9.074 ( 6.292 -1.577 0.000) 6.486 9.339 ( 1.988 -6.937 0.000) 7.216 10.797 ( 3.925 -1.640 0.000) 4.254 10.963 ( 25.273 0.307 0.000) 25.275 11.254 ( 0.103 -3.055 0.000) 3.057 11.349 ( 22.245 -2.138 0.000) 22.348 11.395 ( 9.890 4.264 0.000) 10.770 11.483 ( 3.411 3.933 0.000) 5.206 11.863 ( 2.309 -3.900 0.000) 4.532 12.054 ( -7.656 3.192 0.000) 8.295 12.265 ( -13.376 0.292 0.000) 13.379 12.361 ( -4.668 -2.718 0.000) 5.402 14.008 ( -9.950 -3.251 0.000) 10.467 14.338 ( -14.242 -6.766 0.000) 15.767 14.919 ( 1.750 1.186 0.000) 2.114 15.023 ( -2.653 1.912 0.000) 3.270 21.249 ( 0.950 -1.440 0.000) 1.725 21.437 ( 3.510 8.093 0.000) 8.821 21.518 ( -3.374 8.058 0.000) 8.736 21.617 ( -3.586 -1.751 0.000) 3.990 21.696 ( -1.224 -4.568 0.000) 4.729 21.808 ( 6.080 5.991 0.000) 8.536 22.710 ( 15.223 -7.922 0.000) 17.161 22.979 ( 22.286 -2.875 0.000) 22.471 25.390 ( -29.415 -3.081 0.000) 29.576 25.587 ( -27.529 -6.737 0.000) 28.341 26.831 ( 11.385 0.323 0.000) 11.389 26.929 ( 12.412 0.287 0.000) 12.415 ======================= Grid point 18 (13/93) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -20.107 11.801 0.000) 23.314 1.358 ( -15.496 14.170 0.000) 20.998 1.763 ( -2.487 -1.832 0.000) 3.088 1.793 ( -0.568 4.867 0.000) 4.900 1.965 ( -20.735 12.520 0.000) 24.222 2.000 ( -0.194 7.789 0.000) 7.791 2.162 ( -3.456 -2.562 0.000) 4.302 2.170 ( -4.565 5.221 0.000) 6.935 2.269 ( -3.981 -1.985 0.000) 4.448 2.391 ( -1.797 0.330 0.000) 1.827 2.558 ( -12.123 2.596 0.000) 12.398 2.618 ( -3.488 0.833 0.000) 3.586 2.743 ( 2.073 1.664 0.000) 2.658 2.785 ( -2.259 5.216 0.000) 5.684 2.919 ( -1.238 -2.230 0.000) 2.551 3.082 ( 3.811 -6.781 0.000) 7.778 3.092 ( 0.035 -2.305 0.000) 2.305 3.157 ( -7.151 2.558 0.000) 7.595 3.244 ( -7.618 4.047 0.000) 8.626 3.357 ( -2.604 4.304 0.000) 5.031 3.451 ( 0.770 -2.728 0.000) 2.835 3.609 ( 2.496 4.006 0.000) 4.720 3.740 ( -21.596 3.633 0.000) 21.899 3.828 ( 0.286 4.418 0.000) 4.427 3.940 ( -6.306 -0.369 0.000) 6.317 4.297 ( -14.515 -0.411 0.000) 14.521 4.304 ( -4.296 -2.669 0.000) 5.057 4.755 ( -0.121 -3.662 0.000) 3.664 4.831 ( -22.197 -1.804 0.000) 22.270 5.291 ( -13.732 -10.430 0.000) 17.244 5.362 ( 7.322 -0.922 0.000) 7.380 5.667 ( -0.503 0.262 0.000) 0.567 6.280 ( -0.175 6.600 0.000) 6.602 6.763 ( 3.194 -3.649 0.000) 4.849 6.768 ( -7.099 -8.589 0.000) 11.143 7.083 ( -27.537 0.812 0.000) 27.549 7.265 ( -0.633 5.771 0.000) 5.805 7.423 ( -12.038 1.620 0.000) 12.147 7.658 ( -37.709 -2.114 0.000) 37.769 7.912 ( -11.926 1.746 0.000) 12.053 8.040 ( -20.969 -2.453 0.000) 21.113 8.146 ( -27.740 2.186 0.000) 27.826 8.929 ( 13.789 -0.818 0.000) 13.813 9.176 ( 6.410 -2.851 0.000) 7.015 9.292 ( 16.153 -2.692 0.000) 16.376 9.501 ( 8.706 -8.771 0.000) 12.358 10.750 ( -7.523 -3.911 0.000) 8.479 11.015 ( -13.911 -3.932 0.000) 14.456 11.275 ( -0.988 -2.659 0.000) 2.837 11.485 ( -1.023 2.499 0.000) 2.700 11.495 ( 8.028 2.476 0.000) 8.402 11.761 ( -21.115 1.274 0.000) 21.153 11.947 ( 30.386 5.385 0.000) 30.859 12.058 ( 18.704 3.655 0.000) 19.058 12.118 ( -5.762 -2.852 0.000) 6.429 12.389 ( 8.533 -6.942 0.000) 11.000 13.935 ( -1.080 -0.806 0.000) 1.348 14.190 ( -9.752 -6.681 0.000) 11.822 14.870 ( -6.459 0.513 0.000) 6.479 14.898 ( -9.925 1.011 0.000) 9.977 21.264 ( 0.722 1.332 0.000) 1.515 21.389 ( -4.497 5.555 0.000) 7.147 21.392 ( 0.932 10.455 0.000) 10.497 21.597 ( -1.182 -2.812 0.000) 3.050 21.695 ( -6.613 -8.337 0.000) 10.641 21.859 ( 5.084 4.856 0.000) 7.030 23.049 ( 14.961 -8.568 0.000) 17.241 23.412 ( 24.252 -3.961 0.000) 24.573 24.927 ( -26.784 -2.527 0.000) 26.903 25.177 ( -27.510 -7.486 0.000) 28.510 26.987 ( 7.080 -0.024 0.000) 7.080 27.126 ( 10.920 0.147 0.000) 10.921 ======================= Grid point 19 (14/93) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -18.565 15.272 0.000) 24.039 0.880 ( -27.499 13.667 0.000) 30.708 1.367 ( -20.524 33.086 0.000) 38.935 1.700 ( -5.773 0.226 0.000) 5.778 1.770 ( 2.706 5.420 0.000) 6.058 1.911 ( -1.386 9.897 0.000) 9.993 2.045 ( -4.170 5.335 0.000) 6.771 2.106 ( -5.332 -3.846 0.000) 6.575 2.155 ( -10.674 1.546 0.000) 10.786 2.332 ( -11.315 -8.528 0.000) 14.169 2.369 ( -2.868 4.271 0.000) 5.145 2.589 ( -6.922 -1.642 0.000) 7.114 2.663 ( -1.630 2.793 0.000) 3.234 2.731 ( 0.062 3.748 0.000) 3.748 2.858 ( -9.481 2.534 0.000) 9.814 2.929 ( -8.515 7.400 0.000) 11.281 3.045 ( -2.991 1.883 0.000) 3.534 3.155 ( 4.782 -1.245 0.000) 4.941 3.242 ( 2.361 -9.068 0.000) 9.370 3.322 ( 0.904 0.528 0.000) 1.047 3.484 ( -0.090 -3.493 0.000) 3.494 3.500 ( -6.774 -2.891 0.000) 7.366 3.631 ( 3.337 3.881 0.000) 5.118 3.820 ( 2.854 3.829 0.000) 4.775 3.886 ( -2.151 -0.919 0.000) 2.339 4.082 ( -10.111 -0.707 0.000) 10.136 4.220 ( -10.273 -3.616 0.000) 10.891 4.519 ( -13.768 -1.577 0.000) 13.858 4.778 ( -0.505 -2.730 0.000) 2.776 5.265 ( 1.352 -7.931 0.000) 8.045 5.538 ( 7.813 -3.347 0.000) 8.499 5.696 ( 4.886 -2.223 0.000) 5.368 6.251 ( 5.834 8.467 0.000) 10.282 6.625 ( -15.229 1.574 0.000) 15.310 6.744 ( -3.399 -6.619 0.000) 7.441 6.916 ( 1.644 -4.729 0.000) 5.006 7.022 ( -36.287 1.376 0.000) 36.313 7.053 ( -13.095 3.158 0.000) 13.470 7.458 ( 13.352 4.600 0.000) 14.122 7.658 ( -18.186 1.126 0.000) 18.220 7.715 ( -8.471 1.454 0.000) 8.595 7.801 ( -13.855 -1.713 0.000) 13.961 9.175 ( 13.153 0.988 0.000) 13.190 9.308 ( 5.045 -3.939 0.000) 6.401 9.607 ( 16.369 -2.555 0.000) 16.567 9.759 ( 11.920 -7.643 0.000) 14.160 10.660 ( -6.196 -3.738 0.000) 7.236 10.761 ( -16.931 -3.493 0.000) 17.287 11.217 ( -19.824 -4.798 0.000) 20.397 11.292 ( -10.548 -2.421 0.000) 10.822 11.548 ( -1.864 1.391 0.000) 2.326 11.563 ( 2.239 -0.108 0.000) 2.242 12.030 ( 1.597 9.662 0.000) 9.793 12.079 ( -1.918 -2.306 0.000) 3.000 12.519 ( 24.937 1.195 0.000) 24.966 12.734 ( 18.582 -4.134 0.000) 19.037 13.964 ( 4.699 2.629 0.000) 5.384 14.124 ( -4.091 -5.871 0.000) 7.156 14.683 ( -12.037 0.185 0.000) 12.039 14.733 ( -8.514 0.392 0.000) 8.523 21.259 ( 0.455 1.646 0.000) 1.708 21.280 ( -3.437 2.975 0.000) 4.546 21.302 ( -0.679 9.948 0.000) 9.971 21.565 ( -21.534 -13.431 0.000) 25.379 21.607 ( -0.177 -1.235 0.000) 1.247 21.895 ( 2.907 2.716 0.000) 3.978 23.334 ( 9.112 -8.084 0.000) 12.181 23.841 ( 19.399 -6.082 0.000) 20.330 24.557 ( -17.017 -1.195 0.000) 17.059 24.787 ( -23.270 -3.838 0.000) 23.584 27.075 ( 3.305 0.002 0.000) 3.305 27.289 ( 7.426 -0.379 0.000) 7.436 ======================= Grid point 20 (15/93) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( 0.000 18.032 0.000) 18.032 0.355 ( 0.000 20.537 0.000) 20.537 0.831 ( 0.000 46.383 0.000) 46.383 1.621 ( 0.000 1.102 0.000) 1.102 1.783 ( 0.000 3.794 0.000) 3.794 1.786 ( 0.000 9.649 0.000) 9.649 1.962 ( 0.000 4.282 0.000) 4.282 1.975 ( 0.000 4.420 0.000) 4.420 2.094 ( -0.000 -4.425 0.000) 4.425 2.260 ( -0.000 -6.512 0.000) 6.512 2.323 ( 0.000 2.586 0.000) 2.586 2.464 ( 0.000 3.144 0.000) 3.144 2.665 ( -0.000 -0.779 0.000) 0.779 2.710 ( 0.000 2.698 0.000) 2.698 2.716 ( 0.000 4.119 0.000) 4.119 2.821 ( 0.000 3.655 0.000) 3.655 3.024 ( 0.000 0.114 0.000) 0.114 3.240 ( -0.000 -3.155 0.000) 3.155 3.324 ( -0.000 -4.829 0.000) 4.829 3.337 ( 0.000 0.310 0.000) 0.310 3.485 ( -0.000 -6.100 0.000) 6.100 3.510 ( -0.000 -2.782 0.000) 2.782 3.632 ( 0.000 3.937 0.000) 3.937 3.836 ( 0.000 2.204 0.000) 2.204 3.876 ( -0.000 -0.584 0.000) 0.584 3.995 ( -0.000 -0.366 0.000) 0.366 4.057 ( 0.000 1.347 0.000) 1.347 4.416 ( -0.000 -0.560 0.000) 0.560 4.795 ( -0.000 -2.131 0.000) 2.131 5.388 ( -0.000 -5.425 0.000) 5.425 5.603 ( -0.000 -0.858 0.000) 0.858 5.842 ( -0.000 -9.823 0.000) 9.823 6.404 ( 0.000 15.859 0.000) 15.859 6.465 ( -0.000 -1.456 0.000) 1.456 6.476 ( 0.000 1.047 0.000) 1.047 6.764 ( -0.000 -4.680 0.000) 4.680 6.870 ( 0.000 2.442 0.000) 2.442 6.997 ( -0.000 -3.872 0.000) 3.872 7.460 ( -0.000 -0.968 0.000) 0.968 7.628 ( 0.000 1.091 0.000) 1.091 7.690 ( -0.000 -1.384 0.000) 1.384 7.748 ( -0.000 -5.856 0.000) 5.856 9.295 ( 0.000 1.894 0.000) 1.894 9.391 ( -0.000 -3.870 0.000) 3.870 9.796 ( -0.000 -1.368 0.000) 1.368 9.975 ( -0.000 -6.015 0.000) 6.015 10.608 ( -0.000 -2.494 0.000) 2.494 10.629 ( -0.000 -2.585 0.000) 2.585 10.855 ( -0.000 -0.085 0.000) 0.085 11.249 ( 0.000 0.110 0.000) 0.110 11.531 ( 0.000 0.883 0.000) 0.883 11.590 ( -0.000 -2.139 0.000) 2.139 11.959 ( 0.000 9.066 0.000) 9.066 12.081 ( -0.000 -1.706 0.000) 1.706 12.741 ( 0.000 1.046 0.000) 1.046 12.939 ( -0.000 -2.412 0.000) 2.412 13.998 ( 0.000 3.135 0.000) 3.135 14.158 ( -0.000 -5.399 0.000) 5.399 14.560 ( -0.000 -0.022 0.000) 0.022 14.644 ( 0.000 0.223 0.000) 0.223 21.210 ( 0.000 8.575 0.000) 8.575 21.233 ( -0.000 -0.007 0.000) 0.007 21.252 ( 0.000 1.083 0.000) 1.083 21.257 ( 0.000 0.297 0.000) 0.297 21.607 ( 0.000 0.351 0.000) 0.351 21.906 ( 0.000 0.763 0.000) 0.763 23.477 ( -0.000 -6.097 0.000) 6.097 24.092 ( -0.000 -8.682 0.000) 8.682 24.412 ( 0.000 0.074 0.000) 0.074 24.531 ( 0.000 4.609 0.000) 4.609 27.103 ( 0.000 0.003 0.000) 0.003 27.362 ( -0.000 -0.457 0.000) 0.457 ======================= Grid point 23 (16/93) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 17.782 -0.000 0.000) 17.782 1.700 ( 13.444 -0.000 0.000) 13.444 1.847 ( 3.894 -0.000 0.000) 3.894 1.909 ( 2.190 -0.000 0.000) 2.190 1.940 ( 5.630 -0.000 0.000) 5.630 2.144 ( 2.609 -0.000 0.000) 2.609 2.197 ( -2.835 0.000 0.000) 2.835 2.347 ( -5.315 0.000 0.000) 5.315 2.355 ( -0.309 0.000 0.000) 0.309 2.361 ( 3.104 -0.000 0.000) 3.104 2.656 ( -2.742 0.000 0.000) 2.742 2.708 ( -2.675 0.000 0.000) 2.675 2.847 ( -0.702 0.000 0.000) 0.702 2.891 ( 10.875 -0.000 0.000) 10.875 3.047 ( 1.233 -0.000 0.000) 1.233 3.072 ( 6.304 -0.000 0.000) 6.304 3.257 ( -0.725 0.000 0.000) 0.725 3.352 ( 4.232 -0.000 0.000) 4.232 3.364 ( 7.810 -0.000 0.000) 7.810 3.372 ( 4.600 -0.000 0.000) 4.600 3.424 ( -5.810 0.000 0.000) 5.810 3.555 ( 4.791 -0.000 0.000) 4.791 3.717 ( -0.277 0.000 0.000) 0.277 4.003 ( -0.830 0.000 0.000) 0.830 4.286 ( 8.504 -0.000 0.000) 8.504 4.583 ( 6.266 -0.000 0.000) 6.266 4.615 ( 1.474 -0.000 0.000) 1.474 4.929 ( 3.784 -0.000 0.000) 3.784 5.359 ( 4.253 -0.000 0.000) 4.253 5.371 ( 5.503 -0.000 0.000) 5.503 5.673 ( 2.860 -0.000 0.000) 2.860 5.777 ( -1.641 0.000 0.000) 1.641 6.376 ( 8.638 -0.000 0.000) 8.638 6.701 ( -4.344 0.000 0.000) 4.344 6.879 ( -2.364 0.000 0.000) 2.364 7.277 ( 8.922 -0.000 0.000) 8.922 8.159 ( 2.841 -0.000 0.000) 2.841 8.277 ( 29.712 -0.000 0.000) 29.712 8.358 ( 18.606 -0.000 0.000) 18.606 8.443 ( 21.637 -0.000 0.000) 21.637 8.527 ( 3.857 -0.000 0.000) 3.857 8.845 ( -10.527 0.000 0.000) 10.527 8.936 ( 14.191 -0.000 0.000) 14.191 9.026 ( 14.050 -0.000 0.000) 14.050 9.140 ( 3.460 -0.000 0.000) 3.460 9.443 ( 6.241 -0.000 0.000) 6.241 10.241 ( -44.200 0.000 0.000) 44.200 10.435 ( -35.287 0.000 0.000) 35.287 11.172 ( 0.187 -0.000 0.000) 0.187 11.348 ( -4.250 0.000 0.000) 4.250 11.535 ( 4.074 -0.000 0.000) 4.074 11.677 ( -0.104 0.000 0.000) 0.104 11.791 ( -3.830 0.000 0.000) 3.830 11.792 ( 8.904 -0.000 0.000) 8.904 12.360 ( 3.300 -0.000 0.000) 3.300 12.537 ( 6.081 -0.000 0.000) 6.081 14.463 ( 14.835 -0.000 0.000) 14.835 14.714 ( 13.930 -0.000 0.000) 13.930 14.761 ( -12.420 0.000 0.000) 12.420 14.913 ( -7.890 0.000 0.000) 7.890 21.193 ( -4.263 0.000 0.000) 4.263 21.247 ( 3.103 -0.000 0.000) 3.103 21.356 ( 7.911 -0.000 0.000) 7.911 21.680 ( -1.986 0.000 0.000) 1.986 21.768 ( 4.729 -0.000 0.000) 4.729 21.856 ( 0.583 -0.000 0.000) 0.583 22.610 ( -13.476 0.000 0.000) 13.476 22.652 ( -20.038 0.000 0.000) 20.038 25.939 ( 25.245 -0.000 0.000) 25.245 26.165 ( 18.836 -0.000 0.000) 18.836 26.602 ( -18.196 0.000 0.000) 18.196 26.638 ( -15.312 0.000 0.000) 15.312 ======================= Grid point 24 (17/93) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 6.537 -4.435 0.000) 7.899 1.764 ( -1.299 -0.390 0.000) 1.356 1.953 ( 4.305 0.921 0.000) 4.402 1.958 ( -1.886 0.964 0.000) 2.118 2.022 ( 8.647 -2.751 0.000) 9.074 2.138 ( -3.020 0.262 0.000) 3.032 2.188 ( 1.775 -0.713 0.000) 1.912 2.298 ( 0.176 -0.062 0.000) 0.187 2.375 ( 6.328 4.640 0.000) 7.847 2.437 ( 4.021 -2.046 0.000) 4.511 2.609 ( -2.072 0.930 0.000) 2.271 2.650 ( -1.335 4.540 0.000) 4.732 2.859 ( -0.811 -4.448 0.000) 4.521 2.946 ( -4.112 1.281 0.000) 4.307 3.032 ( -6.801 0.675 0.000) 6.834 3.040 ( -1.229 1.016 0.000) 1.594 3.241 ( -1.872 -1.102 0.000) 2.173 3.340 ( 1.385 4.745 0.000) 4.943 3.440 ( 0.362 -2.973 0.000) 2.995 3.501 ( 6.981 -1.135 0.000) 7.072 3.515 ( 10.130 1.043 0.000) 10.184 3.635 ( 6.039 3.558 0.000) 7.009 3.732 ( 0.393 -4.171 0.000) 4.189 3.949 ( -3.950 2.536 0.000) 4.694 4.380 ( 0.736 -5.561 0.000) 5.609 4.587 ( -3.509 0.644 0.000) 3.568 4.667 ( 3.931 1.861 0.000) 4.349 4.955 ( -0.453 2.774 0.000) 2.811 5.402 ( -0.346 0.901 0.000) 0.965 5.454 ( 6.098 1.772 0.000) 6.350 5.702 ( -1.391 -1.704 0.000) 2.200 5.734 ( -2.896 -1.561 0.000) 3.290 6.495 ( 4.606 -0.596 0.000) 4.644 6.599 ( -6.835 1.318 0.000) 6.961 6.835 ( -5.482 -4.187 0.000) 6.898 7.376 ( 3.986 2.832 0.000) 4.890 8.177 ( -0.550 -1.111 0.000) 1.240 8.379 ( -1.405 1.238 0.000) 1.873 8.407 ( -17.059 -3.477 0.000) 17.410 8.671 ( -11.258 -0.230 0.000) 11.261 8.709 ( 18.896 0.779 0.000) 18.912 8.808 ( 9.735 0.630 0.000) 9.755 8.993 ( -13.821 -1.087 0.000) 13.863 9.218 ( 3.919 1.334 0.000) 4.140 9.471 ( 45.729 -0.068 0.000) 45.729 9.478 ( -43.573 -0.025 0.000) 43.573 9.811 ( 32.210 -0.549 0.000) 32.214 9.836 ( -33.422 -0.057 0.000) 33.422 11.190 ( 1.028 -0.253 0.000) 1.059 11.258 ( -5.492 1.548 0.000) 5.706 11.571 ( 2.588 6.368 0.000) 6.873 11.636 ( 1.433 9.207 0.000) 9.318 11.729 ( -6.602 -8.289 0.000) 10.597 11.945 ( 3.212 -8.429 0.000) 9.020 12.386 ( -1.029 -1.672 0.000) 1.963 12.619 ( 3.489 2.471 0.000) 4.275 14.488 ( -18.962 -0.749 0.000) 18.977 14.700 ( 13.518 2.088 0.000) 13.678 14.723 ( -14.497 -1.301 0.000) 14.556 14.928 ( 10.873 0.686 0.000) 10.894 21.140 ( -2.570 -2.089 0.000) 3.312 21.325 ( 5.521 -0.659 0.000) 5.560 21.507 ( 8.467 -0.955 0.000) 8.521 21.668 ( 1.007 1.180 0.000) 1.551 21.820 ( 1.192 1.813 0.000) 2.170 21.893 ( 4.511 2.392 0.000) 5.106 22.369 ( -12.499 -1.347 0.000) 12.571 22.478 ( -0.460 0.129 0.000) 0.478 26.249 ( -23.360 -0.363 0.000) 23.363 26.324 ( 20.215 0.525 0.000) 20.222 26.330 ( -21.343 -0.959 0.000) 21.365 26.456 ( 15.834 0.537 0.000) 15.843 ======================= Grid point 25 (18/93) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -1.903 -1.272 0.000) 2.289 1.788 ( -3.278 -0.560 0.000) 3.325 1.862 ( -7.314 -0.490 0.000) 7.330 2.031 ( 3.494 0.883 0.000) 3.604 2.111 ( -0.259 -1.488 0.000) 1.510 2.156 ( 3.947 -2.161 0.000) 4.499 2.205 ( -0.535 -0.125 0.000) 0.550 2.323 ( 0.343 2.750 0.000) 2.772 2.426 ( 3.399 6.507 0.000) 7.341 2.510 ( 3.242 4.374 0.000) 5.445 2.573 ( -0.090 1.218 0.000) 1.221 2.633 ( 3.803 -0.178 0.000) 3.807 2.796 ( -9.562 -5.522 0.000) 11.042 2.868 ( -1.171 -0.642 0.000) 1.335 2.943 ( -2.801 2.116 0.000) 3.510 3.011 ( -2.453 -2.761 0.000) 3.694 3.199 ( -3.824 0.722 0.000) 3.891 3.344 ( 1.791 3.177 0.000) 3.647 3.443 ( -1.760 -0.828 0.000) 1.945 3.579 ( 3.178 7.860 0.000) 8.478 3.594 ( 2.349 4.583 0.000) 5.150 3.680 ( 1.980 1.383 0.000) 2.415 3.809 ( 2.307 -5.740 0.000) 6.187 3.868 ( -1.613 0.854 0.000) 1.825 4.413 ( -4.571 -6.629 0.000) 8.053 4.529 ( -1.242 -1.188 0.000) 1.719 4.661 ( -2.914 3.131 0.000) 4.277 4.834 ( -10.071 5.275 0.000) 11.369 5.375 ( -0.800 2.124 0.000) 2.270 5.465 ( -4.501 3.856 0.000) 5.927 5.622 ( -11.024 -4.027 0.000) 11.737 5.713 ( -1.761 -1.613 0.000) 2.388 6.469 ( -6.268 0.693 0.000) 6.306 6.552 ( 2.086 -1.086 0.000) 2.352 6.758 ( -8.757 -6.670 0.000) 11.008 7.375 ( 0.003 4.021 0.000) 4.021 8.047 ( -21.784 -2.525 0.000) 21.930 8.174 ( -13.426 -4.613 0.000) 14.196 8.309 ( -5.514 1.788 0.000) 5.797 8.434 ( -12.948 0.225 0.000) 12.950 8.662 ( -26.189 -3.026 0.000) 26.363 8.837 ( -27.579 -0.231 0.000) 27.580 8.880 ( 6.353 1.678 0.000) 6.571 8.953 ( 7.028 -0.708 0.000) 7.063 9.215 ( -6.552 1.150 0.000) 6.652 9.313 ( -25.651 -2.091 0.000) 25.736 10.288 ( 47.156 0.629 0.000) 47.161 10.434 ( 37.070 -0.171 0.000) 37.071 11.151 ( -3.658 1.407 0.000) 3.919 11.206 ( 0.664 -0.364 0.000) 0.758 11.507 ( -4.270 3.106 0.000) 5.281 11.590 ( 2.610 8.636 0.000) 9.022 11.724 ( -1.487 -5.805 0.000) 5.992 12.033 ( -1.185 -7.792 0.000) 7.882 12.360 ( -4.368 -3.441 0.000) 5.561 12.570 ( -6.864 4.484 0.000) 8.199 14.176 ( -16.876 -1.418 0.000) 16.935 14.466 ( -17.140 -3.445 0.000) 17.483 14.874 ( 8.432 2.008 0.000) 8.668 15.055 ( 4.601 1.338 0.000) 4.792 21.146 ( 0.317 -3.442 0.000) 3.456 21.435 ( 6.368 -0.397 0.000) 6.381 21.621 ( 2.731 -0.504 0.000) 2.777 21.684 ( 2.728 3.345 0.000) 4.316 21.766 ( -3.898 4.087 0.000) 5.648 21.926 ( 4.212 7.984 0.000) 9.027 22.320 ( 3.636 -7.080 0.000) 7.959 22.603 ( 13.405 -1.489 0.000) 13.488 25.817 ( -27.833 -1.555 0.000) 27.877 25.931 ( -26.741 -2.568 0.000) 26.864 26.624 ( 15.735 1.069 0.000) 15.771 26.703 ( 13.337 -0.340 0.000) 13.342 ======================= Grid point 26 (19/93) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -7.345 5.711 0.000) 9.304 1.729 ( -2.877 -1.331 0.000) 3.170 1.731 ( -6.275 0.527 0.000) 6.297 1.988 ( -6.232 4.695 0.000) 7.803 2.139 ( 1.311 1.585 0.000) 2.057 2.168 ( -2.999 -0.904 0.000) 3.132 2.201 ( -0.817 -2.174 0.000) 2.323 2.245 ( -0.965 2.186 0.000) 2.389 2.356 ( -2.902 8.116 0.000) 8.619 2.496 ( -1.257 3.421 0.000) 3.645 2.641 ( 3.777 -6.106 0.000) 7.180 2.699 ( 1.524 2.556 0.000) 2.976 2.781 ( -0.748 -7.766 0.000) 7.801 2.853 ( 1.394 1.623 0.000) 2.139 2.895 ( -0.709 1.433 0.000) 1.599 2.997 ( -5.287 -4.719 0.000) 7.086 3.079 ( -5.058 7.187 0.000) 8.789 3.320 ( -2.461 2.084 0.000) 3.225 3.407 ( -0.922 2.827 0.000) 2.974 3.486 ( -2.172 8.383 0.000) 8.660 3.553 ( -1.308 5.950 0.000) 6.092 3.691 ( 0.768 2.516 0.000) 2.630 3.866 ( -1.014 -4.123 0.000) 4.246 3.886 ( 2.655 0.299 0.000) 2.672 4.340 ( -5.851 -1.177 0.000) 5.969 4.444 ( -20.923 7.710 0.000) 22.298 4.560 ( -14.264 2.078 0.000) 14.415 4.584 ( 1.869 -6.841 0.000) 7.092 5.201 ( -21.973 0.643 0.000) 21.983 5.350 ( 1.404 3.669 0.000) 3.928 5.406 ( -18.282 -3.874 0.000) 18.688 5.687 ( -2.332 -0.906 0.000) 2.501 6.398 ( -0.837 1.925 0.000) 2.099 6.609 ( 3.081 -2.436 0.000) 3.927 6.668 ( -8.913 -8.418 0.000) 12.259 7.334 ( -0.508 3.078 0.000) 3.119 7.677 ( -29.060 -0.260 0.000) 29.061 7.722 ( -26.269 -1.968 0.000) 26.342 8.155 ( -12.789 1.049 0.000) 12.832 8.172 ( -32.265 -4.177 0.000) 32.534 8.300 ( -14.364 -1.392 0.000) 14.431 8.610 ( -4.420 1.543 0.000) 4.682 8.798 ( -21.250 -2.746 0.000) 21.427 9.001 ( 9.125 -0.603 0.000) 9.145 9.053 ( 5.069 -0.954 0.000) 5.158 9.223 ( -1.790 -5.662 0.000) 5.938 10.783 ( 0.747 0.181 0.000) 0.769 10.955 ( 19.587 -1.300 0.000) 19.631 11.223 ( 0.818 -0.691 0.000) 1.071 11.333 ( 26.937 -0.066 0.000) 26.937 11.467 ( 11.760 3.047 0.000) 12.149 11.575 ( 2.815 6.344 0.000) 6.940 11.790 ( 7.204 -2.786 0.000) 7.724 12.038 ( -4.938 -4.415 0.000) 6.624 12.292 ( -21.048 2.271 0.000) 21.170 12.304 ( -5.780 -4.009 0.000) 7.034 13.983 ( -5.995 0.062 0.000) 5.995 14.224 ( -15.151 -5.826 0.000) 16.233 14.941 ( 0.908 1.273 0.000) 1.564 15.053 ( -3.486 1.445 0.000) 3.774 21.202 ( 2.383 -3.420 0.000) 4.168 21.530 ( 4.289 0.837 0.000) 4.370 21.603 ( -3.548 0.001 0.000) 3.548 21.636 ( -6.305 4.995 0.000) 8.044 21.688 ( 1.653 5.248 0.000) 5.502 21.946 ( 7.176 9.543 0.000) 11.940 22.555 ( 12.968 -9.860 0.000) 16.291 22.922 ( 20.425 -3.432 0.000) 20.711 25.342 ( -29.139 -2.176 0.000) 29.220 25.484 ( -28.610 -5.007 0.000) 29.045 26.844 ( 11.252 1.155 0.000) 11.311 26.923 ( 11.829 -0.936 0.000) 11.866 ======================= Grid point 27 (20/93) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -15.382 13.361 0.000) 20.375 1.525 ( -13.752 6.441 0.000) 15.186 1.734 ( -0.674 -1.425 0.000) 1.577 1.870 ( -1.449 3.158 0.000) 3.474 2.088 ( -3.718 1.092 0.000) 3.875 2.131 ( -7.544 5.573 0.000) 9.379 2.166 ( 1.369 3.516 0.000) 3.773 2.235 ( -3.786 4.044 0.000) 5.540 2.240 ( -1.231 -0.866 0.000) 1.505 2.374 ( -12.367 -1.812 0.000) 12.499 2.646 ( -2.349 3.833 0.000) 4.495 2.742 ( 1.573 -4.496 0.000) 4.763 2.779 ( -7.106 16.108 0.000) 17.606 2.854 ( 1.540 -4.725 0.000) 4.969 2.861 ( -2.712 3.045 0.000) 4.077 2.915 ( 1.997 -5.508 0.000) 5.859 3.045 ( 0.618 -2.636 0.000) 2.707 3.219 ( -6.248 3.415 0.000) 7.120 3.359 ( -1.242 6.609 0.000) 6.725 3.418 ( -1.543 0.093 0.000) 1.545 3.453 ( -4.207 6.229 0.000) 7.517 3.680 ( 2.185 4.148 0.000) 4.688 3.804 ( -15.484 1.753 0.000) 15.583 3.913 ( 2.855 4.911 0.000) 5.681 3.953 ( -17.375 3.180 0.000) 17.664 4.270 ( -3.650 -1.320 0.000) 3.882 4.293 ( -15.815 -0.005 0.000) 15.815 4.679 ( 2.286 -5.227 0.000) 5.705 4.797 ( -23.851 -2.199 0.000) 23.952 5.130 ( -15.953 -7.556 0.000) 17.652 5.384 ( 6.551 3.049 0.000) 7.226 5.664 ( -0.815 -0.485 0.000) 0.948 6.380 ( 1.431 4.908 0.000) 5.113 6.614 ( -5.774 -8.505 0.000) 10.280 6.695 ( 3.268 -3.950 0.000) 5.127 7.103 ( -28.880 1.499 0.000) 28.919 7.317 ( -3.881 1.023 0.000) 4.014 7.438 ( -10.023 0.332 0.000) 10.028 7.589 ( -37.657 -5.661 0.000) 38.080 7.943 ( -12.181 1.755 0.000) 12.307 7.993 ( -21.150 -2.812 0.000) 21.336 8.170 ( -30.623 0.424 0.000) 30.626 8.922 ( 16.334 0.108 0.000) 16.334 9.140 ( 5.762 -1.300 0.000) 5.907 9.235 ( 14.266 -3.676 0.000) 14.732 9.326 ( 6.100 -10.705 0.000) 12.321 10.689 ( -8.640 -2.802 0.000) 9.083 10.936 ( -15.271 -5.095 0.000) 16.098 11.244 ( 0.642 -0.913 0.000) 1.116 11.551 ( -2.232 4.897 0.000) 5.382 11.569 ( 7.580 5.543 0.000) 9.391 11.771 ( -26.361 0.033 0.000) 26.361 12.007 ( 37.484 2.398 0.000) 37.561 12.055 ( -5.537 -4.322 0.000) 7.024 12.121 ( 22.785 2.623 0.000) 22.935 12.265 ( 2.071 -6.939 0.000) 7.241 13.953 ( 2.482 1.919 0.000) 3.138 14.068 ( -8.870 -6.287 0.000) 10.872 14.881 ( -6.787 0.744 0.000) 6.828 14.916 ( -10.666 1.000 0.000) 10.712 21.266 ( 2.095 -1.283 0.000) 2.457 21.470 ( -7.917 4.192 0.000) 8.958 21.549 ( -2.783 -0.350 0.000) 2.805 21.553 ( -2.128 -1.581 0.000) 2.652 21.637 ( -0.896 8.195 0.000) 8.244 21.983 ( 6.216 9.281 0.000) 11.170 22.878 ( 13.239 -10.959 0.000) 17.187 23.328 ( 21.679 -5.465 0.000) 22.357 24.884 ( -25.633 -1.866 0.000) 25.701 25.069 ( -24.726 -5.413 0.000) 25.312 26.993 ( 7.147 0.634 0.000) 7.175 27.120 ( 10.131 -0.891 0.000) 10.170 ======================= Grid point 28 (21/93) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -13.221 17.328 0.000) 21.796 1.095 ( -26.537 12.250 0.000) 29.228 1.707 ( -3.484 0.561 0.000) 3.529 1.862 ( 3.131 4.010 0.000) 5.088 1.872 ( -7.081 21.538 0.000) 22.672 2.019 ( -3.399 -0.475 0.000) 3.432 2.118 ( -2.005 7.134 0.000) 7.411 2.137 ( -3.517 4.759 0.000) 5.918 2.173 ( -13.675 -9.283 0.000) 16.528 2.179 ( -6.030 1.618 0.000) 6.244 2.554 ( -0.864 17.318 0.000) 17.340 2.585 ( -3.301 1.821 0.000) 3.770 2.728 ( -6.433 3.848 0.000) 7.496 2.770 ( 0.210 -0.191 0.000) 0.284 2.882 ( -1.962 0.549 0.000) 2.037 3.037 ( 0.785 -10.517 0.000) 10.546 3.062 ( -7.683 5.414 0.000) 9.399 3.108 ( 2.574 -3.787 0.000) 4.579 3.131 ( -10.289 8.170 0.000) 13.138 3.360 ( -0.605 3.357 0.000) 3.411 3.418 ( -0.773 -3.611 0.000) 3.693 3.496 ( -7.646 2.443 0.000) 8.027 3.698 ( 3.487 3.716 0.000) 5.097 3.860 ( -2.556 -2.104 0.000) 3.311 3.913 ( 3.543 6.897 0.000) 7.754 4.065 ( -10.422 -1.308 0.000) 10.504 4.194 ( -7.336 -0.269 0.000) 7.341 4.492 ( -12.330 -1.640 0.000) 12.439 4.716 ( -1.912 -4.285 0.000) 4.693 5.105 ( 3.096 -10.253 0.000) 10.710 5.516 ( 9.349 1.100 0.000) 9.413 5.675 ( 2.190 -0.474 0.000) 2.241 6.364 ( 2.787 4.977 0.000) 5.704 6.614 ( -2.663 -7.788 0.000) 8.230 6.657 ( -14.266 2.018 0.000) 14.408 6.824 ( 0.704 -5.524 0.000) 5.569 7.020 ( -31.813 -2.215 0.000) 31.890 7.106 ( -13.399 2.938 0.000) 13.717 7.452 ( 4.014 -2.796 0.000) 4.892 7.653 ( -18.169 -1.683 0.000) 18.246 7.743 ( -8.577 1.613 0.000) 8.727 7.765 ( -15.635 -2.497 0.000) 15.833 9.184 ( 12.831 -0.480 0.000) 12.840 9.249 ( 4.550 -2.595 0.000) 5.237 9.540 ( 15.348 -5.073 0.000) 16.165 9.596 ( 13.059 -10.268 0.000) 16.612 10.587 ( -6.357 -4.382 0.000) 7.721 10.687 ( -16.687 -4.819 0.000) 17.369 11.172 ( -26.953 -0.941 0.000) 26.969 11.265 ( -3.304 -1.064 0.000) 3.471 11.581 ( -1.013 2.469 0.000) 2.669 11.599 ( 2.195 4.060 0.000) 4.615 12.031 ( -1.745 -3.195 0.000) 3.640 12.149 ( -1.432 3.173 0.000) 3.481 12.550 ( 26.133 2.503 0.000) 26.252 12.669 ( 22.117 -2.689 0.000) 22.280 13.986 ( -2.219 -6.989 0.000) 7.333 14.047 ( 5.013 4.013 0.000) 6.421 14.688 ( -12.483 0.351 0.000) 12.488 14.741 ( -8.720 0.477 0.000) 8.733 21.287 ( 0.570 1.216 0.000) 1.343 21.313 ( -6.564 1.697 0.000) 6.780 21.417 ( -14.534 -4.483 0.000) 15.209 21.535 ( 0.921 14.644 0.000) 14.673 21.562 ( 0.035 -3.408 0.000) 3.409 21.989 ( 3.300 8.155 0.000) 8.797 23.164 ( 8.202 -11.248 0.000) 13.921 23.716 ( 15.494 -7.895 0.000) 17.390 24.534 ( -15.676 -0.905 0.000) 15.702 24.751 ( -15.420 -1.627 0.000) 15.506 27.078 ( 3.455 0.391 0.000) 3.477 27.275 ( 6.575 -1.230 0.000) 6.689 ======================= Grid point 29 (22/93) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.000 17.777 0.000) 17.777 0.709 ( 0.000 20.229 0.000) 20.229 1.557 ( 0.000 35.402 0.000) 35.402 1.646 ( 0.000 1.664 0.000) 1.664 1.866 ( 0.000 5.289 0.000) 5.289 1.997 ( 0.000 12.717 0.000) 12.717 2.011 ( -0.000 -4.206 0.000) 4.206 2.055 ( 0.000 5.876 0.000) 5.876 2.058 ( 0.000 4.325 0.000) 4.325 2.127 ( -0.000 -8.787 0.000) 8.787 2.427 ( 0.000 11.119 0.000) 11.119 2.512 ( 0.000 2.394 0.000) 2.394 2.662 ( 0.000 0.930 0.000) 0.930 2.771 ( 0.000 1.383 0.000) 1.383 2.785 ( 0.000 5.769 0.000) 5.769 2.911 ( 0.000 6.551 0.000) 6.551 3.032 ( 0.000 0.793 0.000) 0.793 3.172 ( -0.000 -4.503 0.000) 4.503 3.179 ( -0.000 -11.429 0.000) 11.429 3.349 ( 0.000 1.185 0.000) 1.185 3.420 ( 0.000 0.053 0.000) 0.053 3.446 ( -0.000 -4.301 0.000) 4.301 3.706 ( 0.000 3.997 0.000) 3.997 3.857 ( -0.000 -1.722 0.000) 1.722 3.899 ( 0.000 5.294 0.000) 5.294 3.983 ( -0.000 -1.065 0.000) 1.065 4.087 ( 0.000 1.964 0.000) 1.964 4.402 ( -0.000 -0.932 0.000) 0.932 4.738 ( -0.000 -4.485 0.000) 4.485 5.257 ( -0.000 -9.257 0.000) 9.257 5.591 ( 0.000 0.053 0.000) 0.053 5.737 ( -0.000 -2.635 0.000) 2.635 6.433 ( -0.000 -2.069 0.000) 2.069 6.503 ( 0.000 2.038 0.000) 2.038 6.624 ( 0.000 7.425 0.000) 7.425 6.658 ( -0.000 -5.845 0.000) 5.845 6.906 ( -0.000 -6.308 0.000) 6.308 6.927 ( 0.000 3.859 0.000) 3.859 7.439 ( -0.000 -1.255 0.000) 1.255 7.622 ( -0.000 -7.974 0.000) 7.974 7.652 ( 0.000 1.562 0.000) 1.562 7.654 ( -0.000 -2.708 0.000) 2.708 9.315 ( -0.000 -0.399 0.000) 0.399 9.320 ( -0.000 -3.756 0.000) 3.756 9.747 ( -0.000 -4.523 0.000) 4.523 9.837 ( -0.000 -9.123 0.000) 9.123 10.550 ( -0.000 -4.052 0.000) 4.052 10.568 ( -0.000 -4.333 0.000) 4.333 10.853 ( -0.000 -0.133 0.000) 0.133 11.252 ( 0.000 0.159 0.000) 0.159 11.556 ( 0.000 2.048 0.000) 2.048 11.590 ( 0.000 2.184 0.000) 2.184 12.042 ( -0.000 -2.661 0.000) 2.661 12.099 ( 0.000 5.776 0.000) 5.776 12.771 ( 0.000 2.460 0.000) 2.460 12.894 ( -0.000 -2.311 0.000) 2.311 14.027 ( -0.000 -7.375 0.000) 7.375 14.078 ( 0.000 4.059 0.000) 4.059 14.560 ( -0.000 -0.021 0.000) 0.021 14.649 ( 0.000 0.359 0.000) 0.359 21.233 ( 0.000 0.025 0.000) 0.025 21.263 ( 0.000 0.444 0.000) 0.444 21.277 ( 0.000 1.682 0.000) 1.682 21.415 ( 0.000 14.463 0.000) 14.463 21.591 ( -0.000 -2.545 0.000) 2.545 21.957 ( 0.000 5.684 0.000) 5.684 23.332 ( -0.000 -10.353 0.000) 10.353 23.934 ( -0.000 -9.296 0.000) 9.296 24.402 ( -0.000 -0.593 0.000) 0.593 24.602 ( 0.000 2.774 0.000) 2.774 27.105 ( 0.000 0.255 0.000) 0.255 27.347 ( -0.000 -1.276 0.000) 1.276 ======================= Grid point 34 (23/93) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -2.003 0.000 0.000) 2.003 1.773 ( -1.145 0.000 0.000) 1.145 1.857 ( -7.414 0.000 0.000) 7.414 2.036 ( 4.448 -0.000 0.000) 4.448 2.104 ( -0.966 0.000 0.000) 0.966 2.138 ( 4.460 -0.000 0.000) 4.460 2.204 ( -0.290 0.000 0.000) 0.290 2.344 ( 4.071 -0.000 0.000) 4.071 2.479 ( 3.825 -0.000 0.000) 3.825 2.567 ( 7.870 -0.000 0.000) 7.870 2.608 ( 1.635 -0.000 0.000) 1.635 2.641 ( -0.484 0.000 0.000) 0.484 2.729 ( -17.400 0.000 0.000) 17.400 2.833 ( 0.059 -0.000 0.000) 0.059 2.966 ( -2.339 0.000 0.000) 2.339 2.993 ( -4.464 0.000 0.000) 4.464 3.201 ( -2.570 0.000 0.000) 2.570 3.400 ( -2.190 0.000 0.000) 2.190 3.403 ( 2.372 -0.000 0.000) 2.372 3.618 ( 7.144 -0.000 0.000) 7.144 3.689 ( 6.576 -0.000 0.000) 6.576 3.707 ( -0.271 0.000 0.000) 0.271 3.744 ( 3.968 -0.000 0.000) 3.968 3.871 ( -6.227 0.000 0.000) 6.227 4.335 ( -1.903 0.000 0.000) 1.903 4.528 ( -3.373 0.000 0.000) 3.373 4.691 ( -2.860 0.000 0.000) 2.860 4.883 ( -10.458 0.000 0.000) 10.458 5.396 ( -0.137 0.000 0.000) 0.137 5.517 ( -1.637 0.000 0.000) 1.637 5.569 ( -14.331 0.000 0.000) 14.331 5.695 ( -1.147 0.000 0.000) 1.147 6.476 ( -6.634 0.000 0.000) 6.634 6.543 ( 1.913 -0.000 0.000) 1.913 6.697 ( -8.485 0.000 0.000) 8.485 7.410 ( -1.080 0.000 0.000) 1.080 8.022 ( -23.389 0.000 0.000) 23.389 8.132 ( -9.439 0.000 0.000) 9.439 8.325 ( -5.744 0.000 0.000) 5.744 8.435 ( -13.110 0.000 0.000) 13.110 8.632 ( -26.694 0.000 0.000) 26.694 8.836 ( -28.206 0.000 0.000) 28.206 8.905 ( 4.281 -0.000 0.000) 4.281 8.938 ( 7.887 -0.000 0.000) 7.887 9.224 ( -5.227 0.000 0.000) 5.227 9.296 ( -28.958 0.000 0.000) 28.958 10.294 ( 47.613 -0.000 0.000) 47.613 10.432 ( 37.385 -0.000 0.000) 37.385 11.171 ( -4.217 0.000 0.000) 4.217 11.205 ( 0.881 -0.000 0.000) 0.881 11.514 ( -10.269 0.000 0.000) 10.269 11.691 ( 5.221 -0.000 0.000) 5.221 11.698 ( 0.863 -0.000 0.000) 0.863 11.931 ( 0.153 -0.000 0.000) 0.153 12.324 ( -4.887 0.000 0.000) 4.887 12.611 ( -7.545 0.000 0.000) 7.545 14.165 ( -16.273 0.000 0.000) 16.273 14.435 ( -17.643 0.000 0.000) 17.643 14.893 ( 7.720 -0.000 0.000) 7.720 15.066 ( 4.468 -0.000 0.000) 4.468 21.114 ( 0.552 -0.000 0.000) 0.552 21.427 ( 6.280 -0.000 0.000) 6.280 21.617 ( 3.290 -0.000 0.000) 3.290 21.718 ( 3.852 -0.000 0.000) 3.852 21.804 ( -3.727 0.000 0.000) 3.727 22.017 ( 7.998 -0.000 0.000) 7.998 22.237 ( -0.601 0.000 0.000) 0.601 22.588 ( 12.549 -0.000 0.000) 12.549 25.803 ( -28.048 0.000 0.000) 28.048 25.908 ( -27.322 0.000 0.000) 27.322 26.635 ( 16.157 -0.000 0.000) 16.157 26.698 ( 12.436 -0.000 0.000) 12.436 ======================= Grid point 35 (24/93) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -0.711 -0.632 0.000) 0.952 1.737 ( -6.519 0.058 0.000) 6.519 1.739 ( -2.450 0.975 0.000) 2.637 2.062 ( -3.715 3.869 0.000) 5.364 2.118 ( 2.007 -2.454 0.000) 3.170 2.148 ( -5.492 -0.657 0.000) 5.532 2.176 ( 0.113 -0.682 0.000) 0.691 2.355 ( -1.231 7.722 0.000) 7.819 2.491 ( -2.938 5.892 0.000) 6.583 2.516 ( -4.562 -7.581 0.000) 8.848 2.532 ( -3.589 0.852 0.000) 3.689 2.684 ( 4.295 -2.963 0.000) 5.218 2.745 ( 5.966 2.258 0.000) 6.379 2.849 ( 0.516 -1.950 0.000) 2.017 2.912 ( -5.234 -3.264 0.000) 6.168 2.932 ( -0.760 1.598 0.000) 1.770 3.143 ( -3.898 0.967 0.000) 4.016 3.345 ( -3.485 0.740 0.000) 3.563 3.436 ( 1.404 0.671 0.000) 1.556 3.662 ( -0.345 6.273 0.000) 6.283 3.675 ( -5.447 9.600 0.000) 11.038 3.725 ( 5.227 3.008 0.000) 6.031 3.780 ( -0.414 -5.558 0.000) 5.574 3.852 ( 2.237 -5.239 0.000) 5.696 4.318 ( -1.769 -0.931 0.000) 1.999 4.498 ( -0.305 -2.624 0.000) 2.642 4.546 ( -15.928 3.598 0.000) 16.329 4.586 ( -20.369 0.525 0.000) 20.375 5.206 ( -26.021 0.041 0.000) 26.021 5.367 ( -16.660 -0.871 0.000) 16.683 5.405 ( 2.269 2.052 0.000) 3.059 5.670 ( -2.202 -0.777 0.000) 2.335 6.421 ( 0.829 0.755 0.000) 1.121 6.561 ( -8.382 -3.421 0.000) 9.053 6.580 ( 2.252 -0.897 0.000) 2.424 7.365 ( -2.776 0.764 0.000) 2.879 7.671 ( -19.026 -0.345 0.000) 19.029 7.697 ( -32.486 -0.685 0.000) 32.494 8.100 ( -35.948 -2.386 0.000) 36.027 8.181 ( -10.604 0.711 0.000) 10.627 8.280 ( -15.825 -0.749 0.000) 15.842 8.638 ( 5.531 1.332 0.000) 5.689 8.750 ( -30.191 -2.136 0.000) 30.267 8.996 ( 7.332 -0.091 0.000) 7.333 9.040 ( 4.774 -0.494 0.000) 4.799 9.157 ( -4.985 -1.882 0.000) 5.328 10.798 ( -0.807 1.066 0.000) 1.337 10.926 ( 14.159 -1.517 0.000) 14.240 11.220 ( 0.993 0.095 0.000) 0.998 11.337 ( 28.679 0.323 0.000) 28.681 11.482 ( 16.699 -0.526 0.000) 16.707 11.683 ( 0.839 5.081 0.000) 5.150 11.791 ( 8.607 1.549 0.000) 8.745 11.943 ( -2.028 -4.925 0.000) 5.326 12.237 ( -6.320 -2.814 0.000) 6.918 12.322 ( -25.141 0.990 0.000) 25.160 13.993 ( -3.145 0.638 0.000) 3.209 14.151 ( -15.953 -2.352 0.000) 16.125 14.959 ( 0.246 0.598 0.000) 0.647 15.070 ( -3.887 0.474 0.000) 3.916 21.154 ( 2.989 -1.651 0.000) 3.415 21.515 ( 2.582 -0.929 0.000) 2.744 21.608 ( -3.189 0.280 0.000) 3.201 21.702 ( -7.090 2.125 0.000) 7.401 21.783 ( 5.015 3.537 0.000) 6.137 22.117 ( 8.432 8.935 0.000) 12.285 22.383 ( 10.974 -8.895 0.000) 14.126 22.873 ( 19.045 -1.716 0.000) 19.122 25.319 ( -28.065 -0.513 0.000) 28.069 25.420 ( -29.743 -2.104 0.000) 29.817 26.869 ( 11.217 1.703 0.000) 11.346 26.900 ( 11.409 -1.681 0.000) 11.533 ======================= Grid point 36 (25/93) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -8.492 3.385 0.000) 9.141 1.612 ( -9.559 10.673 0.000) 14.328 1.715 ( 0.537 -0.811 0.000) 0.973 1.882 ( -7.374 -1.557 0.000) 7.537 2.101 ( -2.035 1.232 0.000) 2.379 2.160 ( -2.947 -0.548 0.000) 2.997 2.171 ( 0.777 -2.213 0.000) 2.345 2.292 ( 0.942 5.588 0.000) 5.667 2.336 ( -11.610 3.892 0.000) 12.245 2.363 ( -12.075 2.843 0.000) 12.405 2.579 ( -0.179 -10.805 0.000) 10.807 2.723 ( -2.505 4.969 0.000) 5.565 2.795 ( 5.660 -2.036 0.000) 6.015 2.869 ( -2.523 -1.466 0.000) 2.918 2.912 ( 1.415 -2.092 0.000) 2.526 2.915 ( 0.889 2.240 0.000) 2.410 3.057 ( -3.277 3.156 0.000) 4.550 3.265 ( -4.730 1.855 0.000) 5.081 3.440 ( 0.843 2.733 0.000) 2.860 3.502 ( -3.660 9.440 0.000) 10.125 3.570 ( -4.303 7.130 0.000) 8.328 3.745 ( 1.486 2.674 0.000) 3.059 3.777 ( -5.910 -3.976 0.000) 7.123 3.968 ( 7.208 0.691 0.000) 7.241 4.043 ( -28.228 5.355 0.000) 28.731 4.274 ( -2.124 2.428 0.000) 3.226 4.295 ( -17.469 0.074 0.000) 17.469 4.573 ( 3.208 -6.700 0.000) 7.428 4.762 ( -24.162 -1.522 0.000) 24.209 5.040 ( -19.784 -3.070 0.000) 20.021 5.450 ( 6.651 3.898 0.000) 7.709 5.651 ( -0.550 -0.934 0.000) 1.084 6.447 ( 1.698 2.142 0.000) 2.734 6.496 ( -2.593 -4.128 0.000) 4.875 6.636 ( 2.408 -2.612 0.000) 3.553 7.129 ( -28.944 1.234 0.000) 28.970 7.320 ( -4.207 -0.344 0.000) 4.221 7.440 ( -9.947 -0.005 0.000) 9.947 7.484 ( -38.818 -5.608 0.000) 39.221 7.949 ( -21.514 -2.050 0.000) 21.612 7.969 ( -12.508 1.109 0.000) 12.557 8.166 ( -32.758 -0.620 0.000) 32.764 8.934 ( 18.980 1.269 0.000) 19.023 9.128 ( 5.464 -0.325 0.000) 5.474 9.157 ( 2.489 -8.125 0.000) 8.498 9.176 ( 12.094 -2.811 0.000) 12.416 10.660 ( -10.342 -0.647 0.000) 10.363 10.849 ( -15.678 -4.463 0.000) 16.301 11.238 ( 1.062 -0.011 0.000) 1.063 11.643 ( -2.808 5.242 0.000) 5.946 11.666 ( 8.149 5.015 0.000) 9.568 11.766 ( -29.641 -0.440 0.000) 29.645 11.974 ( -4.449 -4.702 0.000) 6.474 12.042 ( 37.882 1.518 0.000) 37.912 12.132 ( 29.141 -1.285 0.000) 29.169 12.170 ( -2.102 -3.217 0.000) 3.843 13.938 ( -9.257 -3.271 0.000) 9.818 14.032 ( 5.144 1.499 0.000) 5.358 14.894 ( -6.935 0.644 0.000) 6.965 14.930 ( -11.441 0.516 0.000) 11.452 21.230 ( 3.402 -2.252 0.000) 4.080 21.498 ( -6.896 -1.703 0.000) 7.103 21.534 ( -9.321 2.022 0.000) 9.538 21.545 ( -3.109 0.226 0.000) 3.117 21.816 ( 4.898 8.801 0.000) 10.072 22.165 ( 7.246 11.152 0.000) 13.300 22.679 ( 11.859 -11.629 0.000) 16.610 23.238 ( 19.593 -4.412 0.000) 20.084 24.873 ( -23.592 0.663 0.000) 23.601 24.983 ( -23.452 -4.507 0.000) 23.882 27.008 ( 6.879 1.028 0.000) 6.955 27.099 ( 9.816 -1.359 0.000) 9.910 ======================= Grid point 37 (26/93) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -10.333 16.028 0.000) 19.070 1.308 ( -19.680 12.096 0.000) 23.100 1.716 ( -1.615 0.449 0.000) 1.676 1.864 ( 0.302 -3.876 0.000) 3.888 2.008 ( -16.923 -9.546 0.000) 19.430 2.033 ( -3.568 2.775 0.000) 4.520 2.109 ( -2.942 7.110 0.000) 7.695 2.161 ( -3.343 -0.607 0.000) 3.398 2.222 ( -2.766 5.917 0.000) 6.531 2.262 ( 0.420 5.518 0.000) 5.534 2.621 ( -4.846 2.986 0.000) 5.692 2.673 ( -0.133 -10.669 0.000) 10.670 2.780 ( -5.582 2.116 0.000) 5.970 2.887 ( 3.487 0.600 0.000) 3.538 2.890 ( 0.702 14.196 0.000) 14.213 2.937 ( 3.011 -0.066 0.000) 3.012 3.038 ( 0.876 -3.784 0.000) 3.884 3.146 ( -5.895 4.221 0.000) 7.250 3.300 ( -18.095 8.757 0.000) 20.102 3.405 ( -0.870 4.479 0.000) 4.563 3.418 ( -0.336 3.518 0.000) 3.534 3.573 ( -6.985 5.499 0.000) 8.890 3.755 ( 2.211 2.521 0.000) 3.353 3.815 ( -3.467 -2.978 0.000) 4.570 4.038 ( -11.598 -1.691 0.000) 11.721 4.043 ( 5.254 7.206 0.000) 8.918 4.200 ( -5.341 1.227 0.000) 5.480 4.463 ( -10.857 -1.423 0.000) 10.950 4.634 ( -4.151 -5.019 0.000) 6.513 4.926 ( 2.159 -9.923 0.000) 10.155 5.567 ( 9.437 4.227 0.000) 10.340 5.674 ( 3.584 0.158 0.000) 3.588 6.435 ( -0.907 2.453 0.000) 2.616 6.501 ( -1.705 -3.586 0.000) 3.971 6.679 ( -6.445 -0.615 0.000) 6.475 6.747 ( -7.959 -2.176 0.000) 8.251 6.938 ( -28.823 -7.008 0.000) 29.662 7.151 ( -11.842 2.108 0.000) 12.029 7.401 ( 1.110 -2.658 0.000) 2.881 7.619 ( -18.304 -1.695 0.000) 18.382 7.717 ( -18.122 -2.899 0.000) 18.352 7.768 ( -8.818 1.200 0.000) 8.899 9.143 ( 6.358 -4.234 0.000) 7.639 9.221 ( 4.431 -0.744 0.000) 4.493 9.442 ( 13.377 -5.756 0.000) 14.563 9.443 ( 18.519 -6.388 0.000) 19.590 10.518 ( -7.262 -3.241 0.000) 7.953 10.603 ( -15.765 -4.518 0.000) 16.400 11.167 ( -30.220 0.020 0.000) 30.220 11.254 ( -0.217 -0.252 0.000) 0.333 11.630 ( -0.557 2.978 0.000) 3.029 11.689 ( 2.082 5.875 0.000) 6.233 11.971 ( -1.151 -3.580 0.000) 3.761 12.135 ( -2.868 -3.929 0.000) 4.865 12.594 ( 26.353 2.045 0.000) 26.433 12.656 ( 25.210 1.057 0.000) 25.232 13.859 ( -4.608 -6.340 0.000) 7.838 14.131 ( 7.757 4.474 0.000) 8.955 14.695 ( -13.106 0.395 0.000) 13.112 14.749 ( -8.869 0.356 0.000) 8.876 21.290 ( 1.625 -0.935 0.000) 1.875 21.335 ( -9.187 0.528 0.000) 9.202 21.370 ( -10.398 -1.136 0.000) 10.460 21.514 ( -0.922 -1.578 0.000) 1.827 21.788 ( 2.796 13.369 0.000) 13.658 22.164 ( 3.927 11.491 0.000) 12.143 22.955 ( 7.393 -12.646 0.000) 14.648 23.581 ( 13.322 -7.354 0.000) 15.217 24.537 ( -13.748 1.313 0.000) 13.810 24.712 ( -12.182 -2.993 0.000) 12.544 27.089 ( 3.458 0.746 0.000) 3.538 27.249 ( 5.927 -1.690 0.000) 6.163 ======================= Grid point 38 (27/93) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 17.145 0.000) 17.145 1.048 ( 0.000 18.614 0.000) 18.614 1.672 ( 0.000 1.110 0.000) 1.110 1.924 ( -0.000 -5.424 0.000) 5.424 1.954 ( 0.000 4.743 0.000) 4.743 1.960 ( -0.000 -10.317 0.000) 10.317 1.993 ( 0.000 15.241 0.000) 15.241 2.109 ( 0.000 1.476 0.000) 1.476 2.150 ( 0.000 5.247 0.000) 5.247 2.200 ( 0.000 8.988 0.000) 8.988 2.547 ( 0.000 1.620 0.000) 1.620 2.699 ( 0.000 5.282 0.000) 5.282 2.737 ( 0.000 19.571 0.000) 19.571 2.745 ( -0.000 -5.811 0.000) 5.811 2.888 ( 0.000 5.496 0.000) 5.496 2.983 ( -0.000 -5.291 0.000) 5.291 3.041 ( 0.000 7.946 0.000) 7.946 3.074 ( 0.000 1.579 0.000) 1.579 3.089 ( -0.000 -4.915 0.000) 4.915 3.384 ( 0.000 3.089 0.000) 3.089 3.385 ( -0.000 -1.284 0.000) 1.284 3.475 ( 0.000 5.346 0.000) 5.346 3.761 ( 0.000 2.310 0.000) 2.310 3.815 ( -0.000 -3.075 0.000) 3.075 3.956 ( -0.000 -2.101 0.000) 2.101 4.021 ( 0.000 8.540 0.000) 8.540 4.119 ( 0.000 1.698 0.000) 1.698 4.385 ( -0.000 -0.967 0.000) 0.967 4.642 ( -0.000 -6.366 0.000) 6.366 5.080 ( -0.000 -10.960 0.000) 10.960 5.614 ( 0.000 2.170 0.000) 2.170 5.738 ( 0.000 2.751 0.000) 2.751 6.400 ( -0.000 -1.716 0.000) 1.716 6.525 ( -0.000 -7.011 0.000) 7.011 6.543 ( 0.000 2.500 0.000) 2.500 6.706 ( 0.000 0.290 0.000) 0.290 6.792 ( -0.000 -6.543 0.000) 6.543 6.995 ( 0.000 3.713 0.000) 3.713 7.423 ( -0.000 -0.458 0.000) 0.458 7.492 ( -0.000 -6.631 0.000) 6.631 7.598 ( -0.000 -3.697 0.000) 3.697 7.677 ( 0.000 1.326 0.000) 1.326 9.256 ( -0.000 -6.467 0.000) 6.467 9.272 ( -0.000 -1.646 0.000) 1.646 9.643 ( -0.000 -7.101 0.000) 7.101 9.699 ( -0.000 -5.860 0.000) 5.860 10.477 ( -0.000 -4.086 0.000) 4.086 10.488 ( -0.000 -4.519 0.000) 4.519 10.850 ( -0.000 -0.131 0.000) 0.131 11.254 ( 0.000 0.137 0.000) 0.137 11.600 ( 0.000 2.913 0.000) 2.913 11.658 ( 0.000 5.243 0.000) 5.243 11.991 ( -0.000 -3.233 0.000) 3.233 12.135 ( -0.000 -1.508 0.000) 1.508 12.819 ( 0.000 2.533 0.000) 2.533 12.878 ( 0.000 0.973 0.000) 0.973 13.883 ( -0.000 -7.881 0.000) 7.881 14.167 ( 0.000 5.132 0.000) 5.132 14.560 ( -0.000 -0.006 0.000) 0.006 14.656 ( 0.000 0.359 0.000) 0.359 21.234 ( 0.000 0.049 0.000) 0.049 21.271 ( 0.000 0.420 0.000) 0.420 21.302 ( 0.000 0.782 0.000) 0.782 21.533 ( -0.000 -3.412 0.000) 3.412 21.683 ( 0.000 15.640 0.000) 15.640 22.101 ( 0.000 10.533 0.000) 10.533 23.131 ( -0.000 -12.585 0.000) 12.585 23.774 ( -0.000 -8.984 0.000) 8.984 24.405 ( 0.000 1.147 0.000) 1.147 24.620 ( -0.000 -0.587 0.000) 0.587 27.112 ( 0.000 0.606 0.000) 0.606 27.318 ( -0.000 -1.937 0.000) 1.937 ======================= Grid point 45 (28/93) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -5.681 0.000 0.000) 5.681 1.707 ( 0.952 -0.000 0.000) 0.952 1.721 ( -0.708 0.000 0.000) 0.708 1.854 ( -17.070 0.000 0.000) 17.070 2.119 ( 0.104 -0.000 0.000) 0.104 2.141 ( 0.801 -0.000 0.000) 0.801 2.151 ( -3.977 0.000 0.000) 3.977 2.348 ( -18.966 0.000 0.000) 18.966 2.385 ( -1.542 0.000 0.000) 1.542 2.425 ( -6.380 0.000 0.000) 6.380 2.436 ( 1.045 -0.000 0.000) 1.045 2.778 ( 6.985 -0.000 0.000) 6.985 2.801 ( -2.907 0.000 0.000) 2.907 2.819 ( -2.398 0.000 0.000) 2.398 2.875 ( 3.765 -0.000 0.000) 3.765 2.939 ( 0.670 -0.000 0.000) 0.670 3.079 ( -3.950 0.000 0.000) 3.950 3.282 ( -4.003 0.000 0.000) 4.003 3.462 ( 0.876 -0.000 0.000) 0.876 3.630 ( -3.543 0.000 0.000) 3.543 3.686 ( -7.003 0.000 0.000) 7.003 3.688 ( -1.287 0.000 0.000) 1.287 3.752 ( -1.336 0.000 0.000) 1.336 3.961 ( 11.029 -0.000 0.000) 11.029 4.095 ( -29.822 0.000 0.000) 29.822 4.295 ( -18.092 0.000 0.000) 18.092 4.322 ( 0.424 -0.000 0.000) 0.424 4.492 ( 1.892 -0.000 0.000) 1.892 4.749 ( -23.915 0.000 0.000) 23.915 5.015 ( -21.577 0.000 0.000) 21.577 5.490 ( 7.050 -0.000 0.000) 7.050 5.640 ( -0.546 0.000 0.000) 0.546 6.437 ( -4.166 0.000 0.000) 4.166 6.490 ( 5.361 -0.000 0.000) 5.361 6.612 ( 1.923 -0.000 0.000) 1.923 7.140 ( -28.950 0.000 0.000) 28.950 7.315 ( -3.997 0.000 0.000) 3.997 7.429 ( -40.019 0.000 0.000) 40.019 7.440 ( -9.826 0.000 0.000) 9.826 7.930 ( -21.645 0.000 0.000) 21.645 7.979 ( -12.651 0.000 0.000) 12.651 8.159 ( -33.414 0.000 0.000) 33.414 8.954 ( 23.416 -0.000 0.000) 23.416 9.076 ( -2.676 0.000 0.000) 2.676 9.125 ( 5.544 -0.000 0.000) 5.544 9.150 ( 10.984 -0.000 0.000) 10.984 10.658 ( -11.417 0.000 0.000) 11.417 10.804 ( -15.383 0.000 0.000) 15.383 11.239 ( 1.032 -0.000 0.000) 1.032 11.700 ( -0.994 0.000 0.000) 0.994 11.715 ( 9.440 -0.000 0.000) 9.440 11.760 ( -33.357 0.000 0.000) 33.357 11.923 ( -3.240 0.000 0.000) 3.240 12.050 ( 34.777 -0.000 0.000) 34.777 12.122 ( -2.495 0.000 0.000) 2.495 12.141 ( 32.434 -0.000 0.000) 32.434 13.906 ( -10.909 0.000 0.000) 10.909 14.050 ( 7.413 -0.000 0.000) 7.413 14.900 ( -6.918 0.000 0.000) 6.918 14.934 ( -11.818 0.000 0.000) 11.818 21.208 ( 3.750 -0.000 0.000) 3.750 21.482 ( -6.116 0.000 0.000) 6.116 21.549 ( -3.321 0.000 0.000) 3.321 21.554 ( -10.884 0.000 0.000) 10.884 21.898 ( 5.953 -0.000 0.000) 5.953 22.305 ( 7.313 -0.000 0.000) 7.313 22.536 ( 11.669 -0.000 0.000) 11.669 23.196 ( 18.751 -0.000 0.000) 18.751 24.896 ( -20.547 0.000 0.000) 20.547 24.927 ( -25.264 0.000 0.000) 25.264 27.020 ( 6.429 -0.000 0.000) 6.429 27.084 ( 10.044 -0.000 0.000) 10.044 ======================= Grid point 47 (29/93) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -10.190 8.009 0.000) 12.960 1.540 ( -9.641 11.180 0.000) 14.763 1.720 ( -1.836 -0.089 0.000) 1.838 1.760 ( -1.252 -7.036 0.000) 7.146 1.855 ( -23.311 -6.828 0.000) 24.291 2.084 ( -2.627 2.399 0.000) 3.558 2.139 ( -2.445 -1.567 0.000) 2.904 2.172 ( -1.965 1.380 0.000) 2.402 2.323 ( -2.758 4.018 0.000) 4.874 2.346 ( 0.258 4.713 0.000) 4.720 2.491 ( 0.003 -8.598 0.000) 8.598 2.668 ( -8.508 1.830 0.000) 8.702 2.798 ( -1.464 0.263 0.000) 1.488 2.900 ( 6.755 0.493 0.000) 6.773 2.952 ( 3.336 -1.818 0.000) 3.799 2.957 ( 2.189 1.125 0.000) 2.461 3.018 ( -2.592 0.159 0.000) 2.597 3.202 ( -4.677 1.857 0.000) 5.032 3.388 ( -17.196 1.818 0.000) 17.292 3.492 ( -2.253 3.735 0.000) 4.362 3.568 ( 1.043 9.758 0.000) 9.814 3.650 ( -3.506 2.576 0.000) 4.351 3.765 ( 1.261 -1.699 0.000) 2.116 3.769 ( -6.618 -1.820 0.000) 6.864 4.012 ( -13.181 -0.999 0.000) 13.219 4.125 ( 8.194 2.159 0.000) 8.473 4.244 ( -7.598 2.539 0.000) 8.011 4.463 ( -7.231 2.403 0.000) 7.620 4.545 ( -4.425 -5.376 0.000) 6.963 4.787 ( -1.899 -4.972 0.000) 5.322 5.633 ( 4.489 2.536 0.000) 5.156 5.676 ( 10.761 0.037 0.000) 10.761 6.406 ( -1.013 -1.968 0.000) 2.213 6.550 ( 0.771 4.911 0.000) 4.971 6.644 ( 0.569 -1.685 0.000) 1.779 6.746 ( -15.631 0.577 0.000) 15.641 6.804 ( -31.891 -6.816 0.000) 32.611 7.176 ( -10.538 0.731 0.000) 10.563 7.368 ( -0.340 -0.953 0.000) 1.012 7.602 ( -15.942 -0.359 0.000) 15.946 7.675 ( -20.921 -1.560 0.000) 20.980 7.782 ( -9.052 0.437 0.000) 9.063 9.070 ( 0.677 -2.918 0.000) 2.995 9.218 ( 4.724 0.164 0.000) 4.727 9.362 ( 11.480 -2.833 0.000) 11.824 9.379 ( 23.067 -1.539 0.000) 23.119 10.481 ( -8.473 -1.069 0.000) 8.540 10.544 ( -14.476 -1.976 0.000) 14.610 11.168 ( -31.400 0.043 0.000) 31.400 11.253 ( 0.495 0.006 0.000) 0.495 11.674 ( -0.883 1.632 0.000) 1.856 11.782 ( 2.338 3.862 0.000) 4.515 11.919 ( -0.227 -1.920 0.000) 1.933 12.057 ( -2.988 -3.673 0.000) 4.735 12.616 ( 25.744 0.606 0.000) 25.751 12.680 ( 26.758 1.018 0.000) 26.777 13.783 ( -4.798 -2.316 0.000) 5.328 14.187 ( 7.907 1.736 0.000) 8.095 14.700 ( -13.624 0.182 0.000) 13.625 14.753 ( -8.876 0.121 0.000) 8.877 21.268 ( 2.401 -1.013 0.000) 2.606 21.332 ( -9.680 -0.282 0.000) 9.684 21.367 ( -9.402 0.218 0.000) 9.405 21.505 ( -1.657 -0.002 0.000) 1.657 21.961 ( 3.747 5.644 0.000) 6.775 22.358 ( 4.195 9.231 0.000) 10.139 22.749 ( 7.072 -9.483 0.000) 11.830 23.482 ( 12.132 -3.330 0.000) 12.580 24.575 ( -12.888 2.666 0.000) 13.161 24.654 ( -10.598 -3.254 0.000) 11.086 27.101 ( 3.330 0.496 0.000) 3.367 27.224 ( 5.680 -0.914 0.000) 5.753 ======================= Grid point 48 (30/93) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.000 15.960 0.000) 15.960 1.340 ( 0.000 14.632 0.000) 14.632 1.656 ( -0.000 -5.067 0.000) 5.067 1.795 ( -0.000 -6.625 0.000) 6.625 1.816 ( -0.000 -7.027 0.000) 7.027 2.026 ( 0.000 3.437 0.000) 3.437 2.114 ( -0.000 -0.723 0.000) 0.723 2.137 ( 0.000 3.460 0.000) 3.460 2.259 ( 0.000 6.591 0.000) 6.591 2.310 ( 0.000 4.646 0.000) 4.646 2.569 ( 0.000 0.849 0.000) 0.849 2.577 ( -0.000 -10.869 0.000) 10.869 2.766 ( 0.000 3.224 0.000) 3.224 2.960 ( 0.000 2.707 0.000) 2.707 2.976 ( 0.000 1.843 0.000) 1.843 2.977 ( 0.000 4.268 0.000) 4.268 3.012 ( -0.000 -3.528 0.000) 3.528 3.121 ( 0.000 3.152 0.000) 3.152 3.158 ( 0.000 4.895 0.000) 4.895 3.454 ( 0.000 4.387 0.000) 4.387 3.481 ( 0.000 12.165 0.000) 12.165 3.575 ( 0.000 5.649 0.000) 5.649 3.754 ( -0.000 -3.820 0.000) 3.820 3.785 ( 0.000 0.348 0.000) 0.348 3.913 ( -0.000 -2.516 0.000) 2.516 4.142 ( 0.000 0.917 0.000) 0.917 4.173 ( 0.000 7.883 0.000) 7.883 4.371 ( -0.000 -0.617 0.000) 0.617 4.535 ( -0.000 -5.037 0.000) 5.037 4.893 ( -0.000 -9.930 0.000) 9.930 5.645 ( 0.000 1.119 0.000) 1.119 5.826 ( 0.000 6.296 0.000) 6.296 6.377 ( -0.000 -0.881 0.000) 0.881 6.427 ( -0.000 -4.031 0.000) 4.031 6.582 ( 0.000 1.805 0.000) 1.805 6.662 ( -0.000 -4.270 0.000) 4.270 6.694 ( -0.000 -4.323 0.000) 4.323 7.047 ( 0.000 2.162 0.000) 2.162 7.403 ( -0.000 -3.543 0.000) 3.543 7.429 ( 0.000 1.279 0.000) 1.279 7.531 ( -0.000 -3.910 0.000) 3.910 7.695 ( 0.000 0.704 0.000) 0.704 9.126 ( -0.000 -6.968 0.000) 6.968 9.260 ( 0.000 0.100 0.000) 0.100 9.522 ( -0.000 -6.090 0.000) 6.090 9.636 ( -0.000 -1.887 0.000) 1.887 10.418 ( -0.000 -2.541 0.000) 2.541 10.422 ( -0.000 -2.893 0.000) 2.893 10.848 ( -0.000 -0.080 0.000) 0.080 11.256 ( 0.000 0.074 0.000) 0.074 11.649 ( 0.000 2.406 0.000) 2.406 11.757 ( 0.000 5.706 0.000) 5.706 11.937 ( -0.000 -2.687 0.000) 2.687 12.071 ( -0.000 -4.911 0.000) 4.911 12.846 ( 0.000 0.879 0.000) 0.879 12.917 ( 0.000 2.466 0.000) 2.466 13.773 ( -0.000 -4.537 0.000) 4.537 14.242 ( 0.000 3.171 0.000) 3.171 14.560 ( 0.000 0.003 0.000) 0.003 14.661 ( 0.000 0.223 0.000) 0.223 21.235 ( 0.000 0.037 0.000) 0.037 21.277 ( 0.000 0.253 0.000) 0.253 21.298 ( -0.000 -1.001 0.000) 1.001 21.495 ( -0.000 -0.887 0.000) 0.887 21.921 ( 0.000 10.755 0.000) 10.755 22.301 ( 0.000 11.804 0.000) 11.804 22.909 ( -0.000 -12.428 0.000) 12.428 23.635 ( -0.000 -6.500 0.000) 6.500 24.441 ( 0.000 2.749 0.000) 2.749 24.589 ( -0.000 -2.627 0.000) 2.627 27.124 ( 0.000 0.685 0.000) 0.685 27.285 ( -0.000 -1.646 0.000) 1.646 ======================= Grid point 58 (31/93) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 0.000 0.000) 0.000 1.484 ( -0.000 -0.000 0.000) 0.000 1.500 ( -0.000 -0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.755 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.098 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.377 ( 0.000 0.000 0.000) 0.000 2.445 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.634 ( -0.000 -0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.701 ( -0.000 -0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.245 ( -0.000 -0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.612 ( -0.000 -0.000 0.000) 0.000 6.655 ( 0.000 0.000 0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.474 ( -0.000 -0.000 0.000) 0.000 7.701 ( 0.000 0.000 0.000) 0.000 9.060 ( 0.000 0.000 0.000) 0.000 9.265 ( 0.000 0.000 0.000) 0.000 9.463 ( 0.000 0.000 0.000) 0.000 9.621 ( 0.000 0.000 0.000) 0.000 10.395 ( 0.000 0.000 0.000) 0.000 10.395 ( -0.000 -0.000 0.000) 0.000 10.848 ( 0.000 0.000 0.000) 0.000 11.257 ( 0.000 0.000 0.000) 0.000 11.672 ( 0.000 0.000 0.000) 0.000 11.821 ( 0.000 0.000 0.000) 0.000 11.911 ( 0.000 0.000 0.000) 0.000 12.012 ( 0.000 0.000 0.000) 0.000 12.854 ( 0.000 0.000 0.000) 0.000 12.941 ( 0.000 0.000 0.000) 0.000 13.733 ( 0.000 0.000 0.000) 0.000 14.270 ( 0.000 0.000 0.000) 0.000 14.560 ( 0.000 0.000 0.000) 0.000 14.663 ( 0.000 0.000 0.000) 0.000 21.235 ( 0.000 0.000 0.000) 0.000 21.279 ( 0.000 0.000 0.000) 0.000 21.285 ( 0.000 0.000 0.000) 0.000 21.490 ( 0.000 0.000 0.000) 0.000 22.020 ( 0.000 0.000 0.000) 0.000 22.440 ( 0.000 0.000 0.000) 0.000 22.766 ( 0.000 0.000 0.000) 0.000 23.574 ( 0.000 0.000 0.000) 0.000 24.477 ( 0.000 0.000 0.000) 0.000 24.554 ( -0.000 -0.000 0.000) 0.000 27.131 ( 0.000 0.000 0.000) 0.000 27.269 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/93) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 0.000 0.000 22.551) 22.551 0.513 ( 0.000 0.000 25.833) 25.833 1.033 ( 0.000 0.000 50.779) 50.779 1.374 ( 0.000 0.000 -24.304) 24.304 1.377 ( 0.000 0.000 -17.559) 17.559 1.859 ( 0.000 0.000 5.335) 5.335 1.938 ( 0.000 0.000 0.194) 0.194 2.084 ( 0.000 0.000 7.696) 7.696 2.111 ( 0.000 0.000 -3.556) 3.556 2.376 ( 0.000 0.000 3.944) 3.944 2.445 ( 0.000 0.000 11.702) 11.702 2.447 ( 0.000 0.000 1.654) 1.654 2.622 ( 0.000 0.000 -4.573) 4.573 2.702 ( 0.000 0.000 1.473) 1.473 2.774 ( 0.000 0.000 -1.431) 1.431 2.863 ( 0.000 0.000 -17.532) 17.532 2.882 ( 0.000 0.000 0.579) 0.579 3.047 ( 0.000 0.000 -6.306) 6.306 3.306 ( 0.000 0.000 -4.339) 4.339 3.379 ( 0.000 0.000 5.345) 5.345 3.399 ( 0.000 0.000 -7.623) 7.623 3.549 ( 0.000 0.000 0.011) 0.011 3.584 ( 0.000 0.000 -5.680) 5.680 3.761 ( 0.000 0.000 9.405) 9.405 3.846 ( 0.000 0.000 -13.586) 13.586 4.016 ( 0.000 0.000 0.520) 0.520 4.109 ( 0.000 0.000 6.199) 6.199 4.384 ( 0.000 0.000 -4.370) 4.370 4.510 ( 0.000 0.000 7.207) 7.207 4.773 ( 0.000 0.000 -4.009) 4.009 6.105 ( 0.000 0.000 9.289) 9.289 6.276 ( 0.000 0.000 8.638) 8.638 6.467 ( 0.000 0.000 -0.483) 0.483 6.468 ( 0.000 0.000 0.069) 0.069 6.715 ( 0.000 0.000 -7.151) 7.151 6.928 ( 0.000 0.000 -9.763) 9.763 6.983 ( 0.000 0.000 12.204) 12.204 7.122 ( 0.000 0.000 2.605) 2.605 7.216 ( 0.000 0.000 -1.478) 1.478 7.504 ( 0.000 0.000 3.472) 3.472 7.504 ( 0.000 0.000 -10.376) 10.376 7.678 ( 0.000 0.000 -3.076) 3.076 9.359 ( 0.000 0.000 8.107) 8.107 9.481 ( 0.000 0.000 4.607) 4.607 9.776 ( 0.000 0.000 -3.232) 3.232 9.862 ( 0.000 0.000 -8.574) 8.574 10.631 ( 0.000 0.000 0.161) 0.161 10.648 ( 0.000 0.000 -0.407) 0.407 10.921 ( 0.000 0.000 6.181) 6.181 11.196 ( 0.000 0.000 -5.186) 5.186 11.567 ( 0.000 0.000 6.219) 6.219 11.725 ( 0.000 0.000 8.916) 8.916 11.935 ( 0.000 0.000 -9.556) 9.556 12.082 ( 0.000 0.000 -4.561) 4.561 12.758 ( 0.000 0.000 2.498) 2.498 12.914 ( 0.000 0.000 -4.897) 4.897 14.016 ( 0.000 0.000 3.850) 3.850 14.116 ( 0.000 0.000 -0.815) 0.815 14.573 ( 0.000 0.000 1.212) 1.212 14.631 ( 0.000 0.000 -1.125) 1.125 21.214 ( 0.000 0.000 7.821) 7.821 21.236 ( 0.000 0.000 0.297) 0.297 21.251 ( 0.000 0.000 -0.300) 0.300 21.550 ( 0.000 0.000 -5.301) 5.301 21.671 ( 0.000 0.000 4.140) 4.140 21.978 ( 0.000 0.000 -9.390) 9.390 23.620 ( 0.000 0.000 8.139) 8.139 23.979 ( 0.000 0.000 -8.115) 8.115 24.259 ( 0.000 0.000 4.403) 4.403 24.381 ( 0.000 0.000 -1.676) 1.676 27.366 ( 0.000 0.000 0.142) 0.142 27.373 ( 0.000 0.000 -0.130) 0.130 ======================= Grid point 106 (33/93) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 14.739 -12.903 15.324) 24.871 0.812 ( 20.777 -5.046 18.179) 28.065 1.358 ( 28.855 -9.256 32.478) 44.420 1.453 ( 7.356 -3.376 -17.389) 19.181 1.492 ( 9.020 -3.494 -16.119) 18.799 1.883 ( 1.734 -0.121 5.733) 5.990 2.033 ( 4.430 -1.532 1.440) 4.904 2.133 ( 7.889 -0.558 2.089) 8.180 2.157 ( 4.848 0.354 -1.434) 5.068 2.379 ( 1.003 -0.460 4.086) 4.232 2.460 ( 8.516 0.998 2.845) 9.034 2.610 ( -0.071 1.673 -2.031) 2.633 2.644 ( 9.040 3.543 -0.116) 9.710 2.758 ( 4.302 -0.767 2.463) 5.016 2.832 ( 5.793 -3.740 -0.345) 6.904 2.871 ( 2.936 1.000 -0.091) 3.103 2.897 ( 3.676 -2.162 -12.811) 13.502 3.065 ( -1.707 -4.386 -5.927) 7.568 3.270 ( -1.562 2.991 -5.093) 6.110 3.339 ( -1.120 0.113 -2.560) 2.797 3.430 ( 3.037 0.748 0.313) 3.143 3.550 ( 0.728 -0.115 1.568) 1.732 3.569 ( -1.906 -1.062 -6.393) 6.755 3.750 ( 0.608 2.203 8.296) 8.605 3.932 ( 6.867 -0.723 -9.887) 12.059 4.018 ( 3.310 1.211 -2.975) 4.613 4.400 ( 12.283 7.252 3.238) 14.627 4.493 ( 17.093 0.350 -6.507) 18.293 4.640 ( 12.807 -10.536 -10.276) 19.510 4.768 ( 0.479 1.282 -4.152) 4.372 5.890 ( -16.268 7.992 12.057) 21.769 6.132 ( -5.681 -4.478 6.244) 9.555 6.413 ( -16.264 14.245 12.484) 24.966 6.630 ( 13.940 1.163 2.694) 14.245 6.740 ( 0.987 0.382 -6.514) 6.600 6.807 ( 14.546 -4.352 -7.237) 16.819 7.021 ( -2.559 2.598 4.899) 6.107 7.175 ( -2.362 -12.503 -0.171) 12.725 7.255 ( 24.714 -1.464 12.668) 27.810 7.666 ( 16.799 2.433 0.710) 16.989 7.711 ( 16.540 -2.575 -1.858) 16.842 7.824 ( 12.684 0.706 0.376) 12.709 9.234 ( -11.020 1.190 7.116) 13.172 9.408 ( -7.863 0.705 3.120) 8.488 9.618 ( -14.873 0.670 -1.274) 14.943 9.750 ( -10.829 2.256 -8.638) 14.035 10.718 ( 7.855 1.412 1.217) 8.073 10.789 ( 15.311 1.375 -1.451) 15.441 11.173 ( 20.023 1.680 -8.942) 21.993 11.241 ( 5.034 0.080 -4.707) 6.893 11.560 ( -0.890 -0.725 5.738) 5.852 11.699 ( -1.584 2.452 8.341) 8.837 11.900 ( -5.719 -5.182 -4.360) 8.864 12.055 ( 0.135 0.402 -4.462) 4.482 12.546 ( -22.776 -0.443 3.793) 23.094 12.743 ( -17.224 1.219 -4.802) 17.922 14.013 ( 1.873 3.136 3.784) 5.259 14.145 ( 3.620 0.519 -2.248) 4.293 14.696 ( 11.876 -0.063 1.357) 11.953 14.736 ( 9.542 -0.029 0.054) 9.542 21.228 ( 0.816 -2.699 5.200) 5.915 21.262 ( 1.961 -0.456 0.761) 2.152 21.273 ( 0.272 -1.972 3.222) 3.788 21.565 ( 1.275 -0.624 -4.720) 4.929 21.750 ( 6.370 5.244 -3.148) 8.831 21.923 ( -2.491 5.140 -6.136) 8.383 23.503 ( -9.810 5.113 7.064) 13.125 23.827 ( -18.285 1.967 -6.863) 19.629 24.561 ( 19.457 -0.807 0.290) 19.476 24.691 ( 34.763 -0.347 -11.096) 36.493 27.204 ( -10.818 2.617 5.837) 12.567 27.288 ( -8.525 0.067 -0.459) 8.538 ======================= Grid point 107 (34/93) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 18.530 -12.956 8.856) 24.283 1.203 ( 18.057 -8.417 11.793) 23.151 1.607 ( 7.261 -2.490 -9.855) 12.492 1.675 ( 7.875 -6.075 -14.612) 17.676 1.905 ( 1.663 1.279 5.029) 5.449 1.972 ( 24.953 -6.544 14.711) 29.697 2.104 ( 4.271 -3.760 5.265) 7.753 2.223 ( 3.474 2.501 1.242) 4.457 2.267 ( 6.213 0.408 -1.831) 6.490 2.424 ( 2.760 -0.450 1.631) 3.237 2.544 ( -0.494 -1.024 -2.369) 2.628 2.639 ( 5.615 1.672 0.157) 5.860 2.682 ( 3.232 5.813 -1.251) 6.767 2.832 ( -0.317 -2.459 4.065) 4.762 2.913 ( 3.647 -2.703 -0.324) 4.551 3.000 ( 3.010 -5.293 -2.574) 6.611 3.043 ( 8.636 -4.176 -7.097) 11.932 3.104 ( 5.060 -0.853 -0.998) 5.228 3.254 ( 2.738 0.771 -4.407) 5.245 3.348 ( 2.218 0.892 -3.278) 4.057 3.448 ( -0.568 1.941 -2.195) 2.985 3.550 ( -1.536 -2.041 -7.441) 7.867 3.608 ( 2.632 -1.838 5.726) 6.564 3.820 ( 13.010 2.500 6.212) 14.633 3.973 ( 2.646 0.334 -1.826) 3.232 4.210 ( 15.249 0.551 -8.390) 17.413 4.458 ( 3.777 2.205 8.177) 9.273 4.753 ( 1.731 1.807 -5.577) 6.113 4.816 ( 19.236 1.934 -3.002) 19.565 5.004 ( 18.578 -2.004 -17.678) 25.722 5.625 ( -8.509 3.427 13.982) 16.723 5.974 ( -6.587 6.533 6.771) 11.485 6.290 ( 2.218 -2.259 12.994) 13.374 6.784 ( 6.317 4.065 -9.509) 12.118 6.826 ( -0.073 1.137 1.163) 1.628 6.999 ( 0.813 -9.137 -7.413) 11.794 7.123 ( 23.929 0.394 4.923) 24.433 7.348 ( 18.308 -2.008 -3.844) 18.815 7.789 ( 31.760 1.382 8.425) 32.887 7.931 ( 15.671 1.948 2.998) 16.074 8.086 ( 19.402 0.679 1.593) 19.479 8.112 ( 25.564 -2.065 0.140) 25.648 9.020 ( -11.750 0.641 7.176) 13.782 9.242 ( -9.300 1.944 0.239) 9.504 9.338 ( -15.723 0.949 1.270) 15.802 9.522 ( -11.018 3.771 -8.370) 14.341 10.845 ( 7.797 2.806 3.441) 8.973 11.029 ( 11.497 2.412 -3.905) 12.379 11.302 ( 3.026 2.322 -2.181) 4.394 11.407 ( 3.752 3.259 -5.710) 7.570 11.579 ( -3.410 -4.645 2.896) 6.449 11.665 ( 5.477 -1.007 3.252) 6.449 11.825 ( -11.973 -8.071 -0.516) 14.448 12.051 ( -10.183 3.019 -1.381) 10.710 12.132 ( -11.048 -1.983 1.984) 11.399 12.428 ( -13.062 3.071 -6.335) 14.839 14.045 ( 6.659 5.458 4.568) 9.747 14.235 ( 8.812 2.882 -3.583) 9.940 14.884 ( 6.713 -0.241 1.552) 6.895 14.895 ( 9.051 -0.562 0.902) 9.113 21.255 ( -0.516 -1.625 1.849) 2.515 21.307 ( 0.275 -5.518 5.792) 8.005 21.313 ( 1.952 -3.590 0.978) 4.202 21.598 ( 2.045 -0.200 -3.618) 4.160 21.762 ( 0.056 3.074 -2.892) 4.221 21.832 ( -3.204 3.906 -4.230) 6.589 23.218 ( -17.282 5.539 4.979) 18.818 23.427 ( -24.349 2.505 -3.232) 24.690 24.986 ( 28.638 1.224 2.861) 28.806 25.223 ( 30.496 5.663 -8.499) 32.161 27.026 ( -9.281 0.580 2.811) 9.714 27.109 ( -11.893 -0.542 -0.994) 11.947 ======================= Grid point 108 (35/93) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 17.645 -9.539 4.828) 20.631 1.551 ( 13.879 -7.484 5.023) 16.549 1.734 ( 6.492 -0.527 -4.648) 8.002 1.840 ( 4.521 -5.369 -5.300) 8.796 1.935 ( 2.857 -0.137 1.969) 3.473 2.101 ( 1.384 -0.786 -5.985) 6.193 2.243 ( 1.691 2.116 0.930) 2.863 2.306 ( 3.299 -2.188 8.405) 9.291 2.327 ( 1.357 3.529 0.377) 3.800 2.456 ( 0.427 -1.147 4.213) 4.387 2.565 ( 0.658 -0.498 -4.589) 4.663 2.663 ( 1.009 0.829 -2.121) 2.491 2.782 ( -0.136 -3.284 3.169) 4.566 2.824 ( 8.032 -1.320 0.789) 8.178 2.952 ( -0.136 0.742 -3.273) 3.359 3.072 ( 3.603 1.476 6.766) 7.806 3.163 ( 3.880 -1.860 -2.878) 5.176 3.253 ( 7.653 -2.479 0.598) 8.067 3.349 ( 5.217 -1.593 0.300) 5.463 3.375 ( 2.050 0.414 -2.279) 3.093 3.408 ( -1.905 -0.288 -0.186) 1.935 3.554 ( 0.668 -1.089 -2.788) 3.067 3.665 ( 2.455 -5.013 -4.561) 7.208 3.904 ( 0.897 3.936 -5.306) 6.667 4.225 ( 17.931 -5.544 5.294) 19.500 4.427 ( 9.234 0.725 -2.157) 9.510 4.528 ( 6.378 0.924 4.096) 7.636 4.757 ( 2.034 3.926 -4.681) 6.439 5.112 ( 14.557 0.041 -2.637) 14.794 5.288 ( 12.876 -0.230 -10.517) 16.626 5.541 ( 0.845 0.755 10.881) 10.940 5.868 ( -1.479 3.732 3.234) 5.155 6.389 ( 6.712 -1.101 10.426) 12.449 6.755 ( -3.762 1.503 4.125) 5.782 6.885 ( 9.892 6.868 -10.263) 15.822 7.031 ( -3.504 -8.327 -6.826) 11.323 7.687 ( 37.464 0.111 1.014) 37.477 7.764 ( 28.124 0.196 -0.964) 28.141 8.135 ( 12.345 2.686 4.427) 13.387 8.252 ( 21.326 2.694 1.031) 21.520 8.419 ( 18.421 -1.034 5.158) 19.158 8.581 ( 24.629 -1.619 -2.530) 24.811 8.875 ( -2.439 0.281 5.244) 5.790 9.065 ( -9.902 1.615 1.711) 10.178 9.108 ( -9.058 0.660 -0.169) 9.084 9.346 ( -5.315 3.588 -8.386) 10.557 10.841 ( -12.708 1.890 0.915) 12.881 10.922 ( -26.751 -0.468 -2.429) 26.865 11.240 ( -6.250 0.669 -0.087) 6.286 11.379 ( 2.840 4.523 -1.269) 5.489 11.516 ( -2.412 -0.731 6.142) 6.639 11.571 ( -11.220 2.448 9.537) 14.928 11.877 ( 8.253 -7.229 -3.421) 11.493 11.911 ( 0.980 -1.230 3.592) 3.921 12.179 ( 5.767 0.222 -8.440) 10.225 12.320 ( 0.495 0.447 -8.818) 8.843 14.158 ( 12.828 6.430 5.634) 15.416 14.394 ( 13.242 4.547 -4.318) 14.652 14.933 ( -1.725 -0.912 2.663) 3.302 14.995 ( 1.152 -1.361 -0.032) 1.784 21.259 ( -0.692 -2.113 1.471) 2.666 21.327 ( -2.516 -5.123 -0.037) 5.707 21.415 ( 3.882 -6.159 4.932) 8.793 21.639 ( 3.346 1.107 -2.215) 4.163 21.720 ( -2.450 0.775 -1.520) 2.985 21.760 ( -1.514 2.577 -3.201) 4.379 22.854 ( -18.612 5.250 2.954) 19.563 22.993 ( -23.289 2.348 -2.446) 23.535 25.470 ( 29.270 2.754 3.190) 29.572 25.659 ( 26.779 5.869 -4.681) 27.812 26.846 ( -11.949 0.202 1.276) 12.018 26.904 ( -13.013 -1.182 -1.037) 13.108 ======================= Grid point 109 (36/93) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 8.326 -1.543 1.683) 8.633 1.808 ( 4.212 -1.042 -0.800) 4.412 1.828 ( 9.298 -3.811 1.189) 10.119 1.937 ( 1.159 -3.590 -2.065) 4.300 1.992 ( 4.174 -2.287 0.526) 4.788 2.150 ( 2.400 -1.382 -6.168) 6.761 2.246 ( 0.234 1.157 0.060) 1.182 2.269 ( -1.684 4.483 -1.113) 4.917 2.355 ( 0.576 -4.415 7.711) 8.904 2.453 ( -0.833 0.866 5.651) 5.777 2.556 ( -1.638 -2.111 -3.828) 4.668 2.639 ( -2.872 1.654 -1.496) 3.637 2.780 ( 2.006 1.522 -2.960) 3.886 2.857 ( -2.840 1.074 -5.487) 6.271 3.063 ( 4.266 -4.148 4.042) 7.194 3.079 ( 2.027 4.853 4.540) 6.948 3.226 ( -0.393 -5.203 -0.825) 5.282 3.321 ( 2.709 8.170 5.612) 10.275 3.390 ( 3.234 -1.171 1.514) 3.758 3.405 ( 1.299 -0.935 1.536) 2.219 3.501 ( 5.392 -5.833 -0.422) 7.954 3.605 ( 3.132 -1.624 -0.083) 3.529 3.755 ( 1.510 -5.209 -6.518) 8.480 3.864 ( -1.222 3.918 -6.226) 7.457 4.507 ( 7.542 -5.930 1.605) 9.728 4.533 ( 6.205 0.789 3.010) 6.942 4.617 ( 2.236 -1.979 -0.379) 3.010 4.745 ( 1.687 6.849 -3.904) 8.062 5.299 ( 7.693 -0.561 0.170) 7.715 5.418 ( 2.429 -0.090 -0.215) 2.440 5.624 ( 6.954 -1.112 -0.177) 7.045 5.822 ( -2.455 1.137 -0.358) 2.729 6.518 ( 7.718 0.736 9.278) 12.091 6.688 ( -3.178 0.527 6.735) 7.466 6.985 ( 9.068 8.639 -9.804) 15.906 7.041 ( -3.774 -8.210 -7.780) 11.924 8.218 ( 25.463 4.218 3.498) 26.046 8.283 ( 9.781 0.032 6.540) 11.766 8.335 ( 31.191 3.701 -2.252) 31.490 8.465 ( 6.275 -1.594 4.661) 7.977 8.680 ( 8.082 -2.771 1.903) 8.753 8.837 ( 0.540 -0.119 0.538) 0.771 8.967 ( 11.720 0.292 6.201) 13.263 8.984 ( 1.185 3.948 -3.753) 5.574 9.033 ( 4.699 -3.689 -7.613) 9.677 9.332 ( 11.699 1.793 -8.176) 14.385 10.263 ( -43.767 -0.670 0.745) 43.779 10.373 ( -37.055 -0.093 -4.990) 37.390 11.232 ( 4.169 1.004 6.260) 7.588 11.379 ( -1.501 1.971 4.126) 4.813 11.454 ( 2.694 7.710 9.209) 12.309 11.504 ( -3.002 -2.530 6.280) 7.406 11.985 ( 6.077 1.382 1.469) 6.403 12.023 ( 1.108 -7.368 -2.342) 7.810 12.285 ( 6.431 1.025 -10.944) 12.735 12.353 ( 0.992 -1.867 -10.022) 10.242 14.365 ( 16.996 5.689 5.599) 18.778 14.594 ( 14.051 4.798 -4.316) 15.462 14.844 ( -9.495 -1.897 4.102) 10.516 14.960 ( -6.960 -2.673 -1.083) 7.534 21.269 ( 0.660 -0.288 0.503) 0.879 21.314 ( -3.884 -4.921 -0.573) 6.295 21.534 ( 3.955 -4.501 3.725) 7.055 21.660 ( -1.517 1.324 -1.472) 2.494 21.707 ( 2.402 -1.243 0.149) 2.709 21.749 ( 2.523 1.913 -0.941) 3.303 22.536 ( -12.425 4.162 0.606) 13.118 22.620 ( -17.449 1.352 -2.525) 17.683 25.920 ( 25.806 2.596 2.406) 26.048 26.043 ( 23.383 4.152 -2.643) 23.896 26.609 ( -16.089 -0.531 1.383) 16.157 26.673 ( -15.719 -1.373 -1.232) 15.827 ======================= Grid point 110 (37/93) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 0.384 -1.885 0.355) 1.956 1.820 ( -0.384 1.885 0.355) 1.956 1.942 ( -1.078 -0.563 -0.850) 1.484 1.942 ( 1.078 0.563 -0.850) 1.484 2.125 ( 1.999 -5.340 -1.839) 5.992 2.125 ( -1.999 5.340 -1.839) 5.992 2.237 ( -1.134 -1.673 -0.603) 2.109 2.237 ( 1.134 1.673 -0.603) 2.109 2.416 ( 1.469 -3.707 5.681) 6.941 2.416 ( -1.469 3.707 5.681) 6.941 2.572 ( 1.013 -2.268 -1.942) 3.153 2.572 ( -1.013 2.268 -1.942) 3.153 2.809 ( -2.694 -1.424 -4.764) 5.655 2.809 ( 2.694 1.424 -4.764) 5.655 3.086 ( -2.091 -1.977 3.123) 4.246 3.086 ( 2.091 1.977 3.123) 4.246 3.274 ( -1.933 -9.990 2.071) 10.384 3.274 ( 1.933 9.990 2.071) 10.384 3.429 ( -0.794 -1.445 3.163) 3.567 3.429 ( 0.794 1.445 3.163) 3.567 3.619 ( 0.039 -2.160 0.127) 2.164 3.619 ( -0.039 2.160 0.127) 2.164 3.808 ( -0.101 -3.096 -5.501) 6.313 3.808 ( 0.101 3.096 -5.501) 6.313 4.588 ( -2.284 -3.099 1.852) 4.272 4.588 ( 2.284 3.099 1.852) 4.272 4.687 ( 0.511 -8.788 -2.305) 9.100 4.687 ( -0.511 8.788 -2.305) 9.100 5.401 ( -3.747 -0.397 1.324) 3.994 5.401 ( 3.747 0.397 1.324) 3.994 5.745 ( -5.570 0.557 -2.230) 6.026 5.745 ( 5.570 -0.557 -2.230) 6.026 6.623 ( -4.781 -1.527 8.246) 9.653 6.623 ( 4.781 1.527 8.246) 9.653 7.036 ( -5.843 -8.936 -8.722) 13.786 7.036 ( 5.843 8.936 -8.722) 13.786 8.369 ( -3.976 -4.334 8.652) 10.462 8.369 ( 3.976 4.334 8.652) 10.462 8.647 ( -13.572 -5.398 0.627) 14.620 8.647 ( 13.572 5.398 0.627) 14.620 8.711 ( -11.675 -1.307 0.582) 11.762 8.711 ( 11.675 1.307 0.582) 11.762 9.017 ( -7.800 -5.164 -8.184) 12.429 9.017 ( 7.800 5.164 -8.184) 12.429 9.508 ( -42.201 0.298 3.288) 42.330 9.508 ( 42.201 -0.298 3.288) 42.330 9.751 ( -32.990 0.230 -7.296) 33.788 9.751 ( 32.990 -0.230 -7.296) 33.788 11.309 ( -4.290 -0.485 7.411) 8.577 11.309 ( 4.290 0.485 7.411) 8.577 11.470 ( -4.872 -5.777 7.036) 10.325 11.470 ( 4.872 5.777 7.036) 10.325 12.049 ( -4.254 -5.669 -0.624) 7.115 12.049 ( 4.254 5.669 -0.624) 7.115 12.356 ( -3.299 -4.452 -10.914) 12.240 12.356 ( 3.299 4.452 -10.914) 12.240 14.609 ( -14.527 -3.362 3.474) 15.310 14.609 ( 14.527 3.362 3.474) 15.310 14.822 ( -11.084 -3.648 -1.288) 11.740 14.822 ( 11.084 3.648 -1.288) 11.740 21.288 ( -2.810 -2.814 -0.248) 3.984 21.288 ( 2.810 2.814 -0.248) 3.984 21.613 ( -0.407 -2.099 0.566) 2.212 21.613 ( 0.407 2.099 0.566) 2.212 21.762 ( 0.319 -2.673 1.319) 2.998 21.762 ( -0.319 2.673 1.319) 2.998 22.424 ( -3.650 -1.423 -1.999) 4.399 22.424 ( 3.650 1.423 -1.999) 4.399 26.298 ( -19.035 -1.851 1.314) 19.170 26.298 ( 19.035 1.851 1.314) 19.170 26.389 ( -17.806 -2.586 -1.205) 18.033 26.389 ( 17.806 2.586 -1.205) 18.033 ======================= Grid point 117 (38/93) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 20.945 -0.000 12.603) 24.444 1.134 ( 20.075 -0.000 14.934) 25.020 1.583 ( 10.098 -0.000 -15.804) 18.755 1.620 ( 7.193 -0.000 -9.892) 12.230 1.909 ( 31.041 -0.000 17.525) 35.647 1.920 ( 2.063 -0.000 5.654) 6.019 2.070 ( 2.545 -0.000 3.666) 4.463 2.251 ( 4.351 -0.000 -0.613) 4.394 2.270 ( 6.320 -0.000 -1.170) 6.428 2.421 ( 4.466 -0.000 -0.443) 4.488 2.534 ( -2.673 0.000 -1.986) 3.330 2.658 ( 4.527 -0.000 1.431) 4.748 2.757 ( 1.878 -0.000 -1.064) 2.159 2.833 ( -1.820 0.000 -2.084) 2.767 2.840 ( 7.938 -0.000 7.337) 10.809 2.967 ( 3.502 -0.000 -2.575) 4.347 2.993 ( 8.777 -0.000 -9.696) 13.078 3.089 ( 7.048 -0.000 -3.850) 8.031 3.268 ( 0.365 -0.000 -4.681) 4.695 3.350 ( 1.494 -0.000 -4.395) 4.642 3.468 ( -1.409 0.000 -2.588) 2.947 3.534 ( -1.409 0.000 -9.175) 9.282 3.591 ( 4.655 -0.000 9.848) 10.892 3.852 ( 12.299 -0.000 8.713) 15.072 3.973 ( 0.686 -0.000 -3.863) 3.923 4.215 ( 14.864 -0.000 -8.705) 17.225 4.482 ( 2.652 -0.000 7.531) 7.984 4.769 ( 1.886 -0.000 -5.741) 6.043 4.844 ( 18.010 -0.000 -3.353) 18.320 4.974 ( 21.821 -0.000 -19.632) 29.353 5.660 ( -11.154 0.000 14.485) 18.282 6.035 ( -7.015 0.000 5.223) 8.746 6.280 ( -0.253 0.000 15.173) 15.176 6.816 ( 7.106 -0.000 -11.254) 13.310 6.840 ( 1.535 -0.000 0.406) 1.588 6.890 ( 0.796 -0.000 -2.682) 2.797 7.128 ( 23.270 -0.000 4.869) 23.774 7.329 ( 20.923 -0.000 -3.345) 21.188 7.799 ( 33.488 -0.000 10.085) 34.974 7.950 ( 14.357 -0.000 4.709) 15.110 8.086 ( 26.850 -0.000 0.611) 26.857 8.095 ( 17.982 -0.000 0.217) 17.983 9.028 ( -11.981 0.000 7.020) 13.886 9.263 ( -9.080 0.000 -0.641) 9.103 9.343 ( -16.186 0.000 1.430) 16.249 9.554 ( -11.763 0.000 -8.792) 14.685 10.871 ( 7.701 -0.000 3.461) 8.443 11.050 ( 11.069 -0.000 -3.763) 11.691 11.327 ( 3.475 -0.000 -3.016) 4.602 11.461 ( 8.531 -0.000 -12.039) 14.755 11.517 ( -3.380 0.000 4.676) 5.770 11.678 ( -3.139 0.000 9.543) 10.046 11.720 ( -7.994 0.000 -2.588) 8.403 12.096 ( 3.716 -0.000 -7.477) 8.349 12.097 ( -25.529 0.000 8.095) 26.782 12.455 ( -13.438 0.000 -7.164) 15.228 14.108 ( 7.103 -0.000 3.608) 7.967 14.254 ( 8.952 -0.000 -2.695) 9.349 14.882 ( 6.265 -0.000 1.527) 6.449 14.890 ( 9.156 -0.000 0.900) 9.200 21.240 ( -0.950 0.000 1.764) 2.003 21.254 ( 2.395 -0.000 7.732) 8.095 21.284 ( 0.033 -0.000 -0.215) 0.218 21.593 ( 2.387 -0.000 -4.866) 5.420 21.784 ( -2.007 0.000 -1.891) 2.758 21.884 ( -4.203 0.000 -6.760) 7.959 23.270 ( -18.547 0.000 5.287) 19.285 23.447 ( -24.988 0.000 -2.051) 25.072 24.995 ( 29.558 -0.000 3.115) 29.722 25.281 ( 30.616 -0.000 -11.177) 32.593 27.033 ( -9.743 0.000 2.747) 10.123 27.102 ( -12.392 0.000 -0.802) 12.418 ======================= Grid point 118 (39/93) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 20.103 -6.661 8.782) 22.926 1.478 ( 18.128 -1.843 7.931) 19.873 1.730 ( 7.601 0.672 -5.772) 9.567 1.765 ( 7.006 -3.259 -7.607) 10.843 1.948 ( 1.962 0.958 4.401) 4.913 2.084 ( 1.254 -0.866 -2.593) 3.008 2.272 ( 5.688 -0.607 9.639) 11.209 2.293 ( 2.593 2.354 1.748) 3.914 2.356 ( 3.013 -0.720 -0.676) 3.171 2.452 ( -3.497 0.830 0.490) 3.628 2.564 ( 9.006 -0.470 -3.941) 9.842 2.676 ( -1.034 0.630 -1.883) 2.239 2.761 ( 0.011 1.551 1.997) 2.529 2.813 ( 2.890 -1.816 -0.884) 3.526 2.969 ( -0.870 1.029 -4.331) 4.536 3.036 ( 10.729 -1.687 7.902) 13.431 3.162 ( 8.183 -2.366 -6.796) 10.897 3.225 ( 5.577 1.702 0.372) 5.843 3.303 ( 4.250 -1.131 -0.285) 4.407 3.376 ( 0.757 -2.367 -1.202) 2.761 3.412 ( -3.234 0.986 -4.455) 5.593 3.536 ( 1.665 -1.438 -12.150) 12.347 3.634 ( 1.050 0.654 8.542) 8.631 3.967 ( 0.600 2.793 -4.160) 5.046 4.148 ( 16.403 -2.952 6.844) 18.017 4.436 ( 9.767 0.242 -5.532) 11.227 4.549 ( 5.677 0.997 5.526) 7.985 4.804 ( 3.086 1.440 -5.110) 6.141 5.124 ( 14.257 0.928 -3.155) 14.631 5.286 ( 14.417 -0.115 -14.804) 20.665 5.543 ( -2.701 -0.218 13.767) 14.031 5.920 ( -4.906 1.859 2.091) 5.648 6.368 ( 7.963 -0.829 13.295) 15.519 6.785 ( -3.647 1.849 2.050) 4.574 6.898 ( -1.939 -5.705 -3.891) 7.172 6.969 ( 10.362 2.525 -11.390) 15.604 7.688 ( 38.325 0.055 1.378) 38.350 7.764 ( 28.983 -0.097 -1.123) 29.005 8.165 ( 11.148 0.752 8.678) 14.147 8.294 ( 22.641 1.924 3.525) 22.994 8.388 ( 14.540 -1.834 4.485) 15.326 8.561 ( 26.801 -0.551 -4.138) 27.124 8.876 ( -4.207 0.016 4.833) 6.408 9.091 ( -11.737 0.898 3.483) 12.276 9.121 ( -7.250 0.571 -3.151) 7.926 9.386 ( -6.844 1.068 -8.798) 11.198 10.869 ( -15.072 1.140 0.237) 15.117 10.911 ( -29.218 -0.633 -1.448) 29.261 11.246 ( -7.215 0.079 0.106) 7.217 11.475 ( 4.382 5.276 -1.486) 7.018 11.511 ( 2.559 0.461 1.194) 2.861 11.619 ( -2.984 0.854 10.780) 11.218 11.763 ( 4.372 -3.641 -3.103) 6.480 11.853 ( -2.787 -4.020 8.786) 10.056 12.173 ( 4.910 -0.414 -9.909) 11.066 12.342 ( -0.066 1.126 -10.484) 10.544 14.257 ( 12.434 3.828 4.472) 13.756 14.441 ( 13.021 1.020 -3.393) 13.494 14.922 ( -2.157 -0.337 2.485) 3.308 14.978 ( 0.609 -0.480 0.039) 0.777 21.224 ( -0.793 -1.354 1.036) 1.880 21.266 ( -2.704 -1.793 -0.131) 3.247 21.338 ( 5.445 -2.433 6.959) 9.165 21.648 ( 4.073 0.113 -4.505) 6.074 21.732 ( -3.072 0.629 -0.030) 3.136 21.814 ( -2.309 2.081 -4.704) 5.638 22.919 ( -20.197 1.995 2.829) 20.491 23.018 ( -24.168 0.666 -1.347) 24.214 25.503 ( 29.233 0.992 3.797) 29.495 25.737 ( 24.899 2.601 -6.063) 25.758 26.855 ( -11.708 0.692 0.582) 11.742 26.882 ( -13.648 -1.131 -0.516) 13.704 ======================= Grid point 119 (40/93) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 14.756 -8.003 4.657) 17.420 1.730 ( 8.529 -0.337 2.149) 8.802 1.845 ( 5.388 0.816 -2.814) 6.134 1.884 ( 5.397 -2.667 -0.635) 6.053 1.980 ( 2.472 0.453 1.925) 3.165 2.119 ( 1.902 -1.383 -5.150) 5.662 2.282 ( -0.716 0.920 5.131) 5.261 2.303 ( 0.172 1.437 5.153) 5.353 2.339 ( -1.617 2.024 -0.155) 2.595 2.451 ( 1.009 -2.353 3.605) 4.422 2.569 ( -1.598 4.138 -4.820) 6.551 2.664 ( -1.788 1.225 -0.486) 2.221 2.788 ( 2.779 -2.007 -4.893) 5.974 2.880 ( -1.433 1.001 -5.083) 5.376 3.000 ( 5.644 -1.946 1.999) 6.296 3.146 ( -0.099 2.424 5.707) 6.201 3.202 ( -0.702 2.201 -2.895) 3.704 3.338 ( 1.403 -4.133 -6.189) 7.573 3.370 ( 5.388 0.140 4.277) 6.881 3.403 ( 5.215 -2.868 2.511) 6.459 3.442 ( 3.574 -0.456 -1.014) 3.743 3.607 ( 4.532 1.350 0.701) 4.781 3.663 ( 2.436 -3.728 -2.301) 5.013 3.934 ( -1.254 3.737 -4.658) 6.102 4.395 ( 7.666 -5.722 3.418) 10.158 4.544 ( 3.588 0.077 -2.413) 4.325 4.629 ( 4.201 2.033 3.452) 5.805 4.840 ( 3.211 3.897 -4.880) 7.022 5.307 ( 8.846 1.285 -0.195) 8.941 5.440 ( 3.705 2.537 -0.762) 4.555 5.580 ( 5.099 -3.847 0.350) 6.397 5.828 ( -5.405 -0.298 -1.181) 5.541 6.519 ( 7.943 -0.453 12.245) 14.602 6.708 ( -3.674 1.676 3.826) 5.563 6.905 ( -3.668 -6.787 -5.300) 9.360 7.109 ( 9.159 5.208 -11.326) 15.469 8.264 ( 20.402 0.624 4.122) 20.824 8.279 ( 19.334 0.337 5.791) 20.186 8.385 ( 28.996 1.031 0.948) 29.030 8.466 ( 3.904 2.255 5.129) 6.829 8.608 ( 3.901 -4.705 3.322) 6.956 8.841 ( -2.431 0.486 0.402) 2.512 8.953 ( 10.831 -1.961 -5.473) 12.292 9.002 ( 8.687 0.211 3.940) 9.542 9.049 ( 1.894 2.994 -6.035) 6.998 9.352 ( 8.429 0.499 -8.495) 11.978 10.254 ( -43.131 -0.405 0.995) 43.144 10.371 ( -36.706 -0.075 -5.063) 37.054 11.247 ( 3.925 0.581 7.304) 8.312 11.438 ( -3.550 3.132 8.406) 9.648 11.509 ( -0.990 4.407 3.041) 5.445 11.606 ( 4.881 9.105 5.866) 11.880 11.852 ( -0.633 -10.203 -1.086) 10.280 11.947 ( 4.673 -6.353 2.931) 8.414 12.256 ( 2.614 -2.398 -11.719) 12.244 12.383 ( 5.634 2.918 -11.561) 13.188 14.462 ( 15.532 4.880 4.849) 16.987 14.659 ( 13.086 2.597 -3.696) 13.844 14.815 ( -10.204 -1.339 3.773) 10.962 14.922 ( -7.893 -1.577 -0.872) 8.096 21.232 ( -2.901 -3.397 0.382) 4.483 21.244 ( 0.779 -2.274 -0.824) 2.541 21.472 ( 7.198 -2.578 6.769) 10.211 21.679 ( -1.462 1.302 0.248) 1.974 21.724 ( 4.275 1.415 -2.054) 4.949 21.787 ( 1.896 2.115 -3.562) 4.556 22.591 ( -14.738 2.191 0.210) 14.901 22.635 ( -19.321 0.428 -1.519) 19.385 25.956 ( 24.774 1.455 2.788) 24.973 26.103 ( 20.890 2.549 -3.304) 21.302 26.606 ( -16.729 0.141 0.960) 16.757 26.649 ( -15.792 -1.271 -0.798) 15.863 ======================= Grid point 120 (41/93) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -0.710 -1.454 0.893) 1.848 1.832 ( -0.629 -1.170 -0.626) 1.468 1.946 ( 6.066 0.266 0.362) 6.083 1.957 ( 1.004 0.607 0.582) 1.310 2.028 ( 2.517 -3.387 -1.257) 4.403 2.165 ( 1.165 -1.140 -4.287) 4.587 2.253 ( -2.721 2.754 2.330) 4.518 2.272 ( 0.938 2.352 1.821) 3.119 2.365 ( 4.356 -1.144 5.321) 6.971 2.473 ( 1.332 2.309 4.217) 4.989 2.544 ( 1.353 -0.166 -3.334) 3.602 2.612 ( -1.587 2.454 0.499) 2.965 2.821 ( -2.676 2.201 -5.069) 6.141 2.841 ( 2.270 0.694 -5.584) 6.068 3.058 ( -3.478 -0.643 2.550) 4.360 3.079 ( -3.048 -4.191 4.463) 6.839 3.167 ( -0.940 -0.453 -3.543) 3.693 3.385 ( 0.851 -1.877 -2.858) 3.524 3.422 ( 1.270 0.657 4.625) 4.841 3.457 ( 2.023 4.408 0.143) 4.852 3.572 ( 6.109 -1.882 2.255) 6.778 3.646 ( 1.594 1.688 3.956) 4.587 3.753 ( 2.789 -3.041 -4.898) 6.404 3.867 ( -1.752 3.690 -3.859) 5.619 4.527 ( 1.805 -7.880 0.163) 8.086 4.557 ( -2.903 -1.788 -1.078) 3.576 4.657 ( 2.382 4.209 3.516) 5.979 4.824 ( -0.292 6.689 -3.799) 7.698 5.404 ( 0.651 1.099 1.872) 2.266 5.432 ( 2.300 2.843 1.486) 3.947 5.710 ( 4.522 -3.106 -2.535) 6.043 5.737 ( -5.951 -1.675 -2.670) 6.734 6.593 ( -3.665 -1.451 5.888) 7.086 6.653 ( 1.933 1.569 10.298) 10.595 6.885 ( -6.292 -7.959 -6.732) 12.176 7.177 ( 4.937 6.905 -10.422) 13.441 8.297 ( -5.670 -3.661 7.586) 10.154 8.433 ( -2.846 1.933 6.638) 7.476 8.534 ( -10.130 -5.692 3.658) 12.182 8.697 ( -9.975 0.259 2.214) 10.221 8.706 ( 13.979 1.221 1.945) 14.166 8.762 ( 12.204 3.315 -1.708) 12.761 8.935 ( -11.041 -3.887 -8.208) 14.296 9.099 ( 5.733 3.979 -8.209) 10.775 9.499 ( 25.662 -0.418 2.981) 25.838 9.516 ( -24.301 0.399 3.716) 24.587 9.736 ( 12.582 -0.911 -7.284) 14.567 9.761 ( -13.324 0.410 -7.032) 15.072 11.312 ( 3.063 0.796 9.244) 9.770 11.335 ( -4.950 1.229 9.488) 10.772 11.432 ( -3.540 2.704 2.692) 5.204 11.598 ( 3.019 8.295 5.209) 10.250 11.901 ( -4.050 -10.187 0.600) 10.979 12.065 ( 3.125 -3.733 1.003) 4.971 12.286 ( -2.425 -3.762 -13.247) 13.983 12.444 ( 4.683 5.264 -9.894) 12.146 14.560 ( -16.738 -2.155 4.134) 17.375 14.669 ( 6.946 3.077 1.437) 7.732 14.766 ( -6.688 -2.376 0.864) 7.150 14.879 ( 11.029 2.633 -2.055) 11.524 21.220 ( -1.967 -4.249 1.439) 4.898 21.301 ( 3.648 -1.068 -2.507) 4.553 21.597 ( 4.764 0.203 4.159) 6.327 21.660 ( 1.499 2.324 1.410) 3.104 21.753 ( 1.053 1.926 -0.421) 2.235 21.820 ( 2.144 3.404 -0.823) 4.106 22.391 ( -7.836 -2.128 -1.087) 8.192 22.439 ( -0.210 0.362 -2.870) 2.901 26.258 ( -14.719 -1.982 0.293) 14.855 26.321 ( -7.035 -1.096 -1.439) 7.264 26.354 ( 3.577 0.389 1.969) 4.102 26.436 ( 12.974 2.263 -0.612) 13.184 ======================= Grid point 121 (42/93) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -5.424 0.294 -0.083) 5.432 1.774 ( -3.650 -1.296 -0.247) 3.881 1.893 ( -6.316 1.952 2.677) 7.133 1.996 ( 2.249 2.655 -0.986) 3.616 2.075 ( -3.103 3.908 -2.180) 5.446 2.135 ( -2.124 -0.197 -3.998) 4.531 2.205 ( -0.559 -1.757 -0.794) 2.007 2.261 ( -0.258 2.180 -1.784) 2.829 2.433 ( 0.578 2.715 7.227) 7.742 2.467 ( 2.519 3.458 3.867) 5.767 2.591 ( 3.238 0.492 -1.015) 3.429 2.614 ( 3.285 -0.444 -2.326) 4.049 2.766 ( -1.441 0.777 -2.445) 2.942 2.862 ( 1.724 0.927 -3.350) 3.880 2.995 ( -4.472 -4.846 3.089) 7.282 3.093 ( -1.024 -1.839 3.360) 3.964 3.170 ( -1.939 -5.970 1.115) 6.375 3.362 ( -3.726 8.181 3.976) 9.829 3.393 ( -0.973 0.086 -0.130) 0.985 3.445 ( -0.240 2.487 0.417) 2.533 3.576 ( -3.367 3.221 2.019) 5.079 3.643 ( -0.599 2.298 -2.041) 3.132 3.794 ( 1.410 -1.205 -4.567) 4.929 3.842 ( 0.047 2.457 -4.847) 5.434 4.497 ( -5.224 -1.928 2.787) 6.227 4.601 ( -3.452 -1.959 -1.059) 4.108 4.621 ( -1.455 -1.259 0.555) 2.003 4.702 ( -6.775 6.644 -1.632) 9.628 5.327 ( -6.026 2.532 0.496) 6.555 5.442 ( -1.491 2.565 -0.181) 2.972 5.618 ( -8.730 -1.666 0.045) 8.887 5.789 ( 0.846 -2.524 0.089) 2.664 6.493 ( -7.614 -1.951 4.801) 9.211 6.688 ( 2.236 0.376 10.419) 10.663 6.827 ( -9.047 -9.078 -7.912) 15.062 7.174 ( 2.309 6.778 -9.693) 12.051 8.137 ( -21.472 -4.678 3.379) 22.234 8.232 ( -17.046 -5.225 -0.768) 17.845 8.314 ( -23.198 0.619 1.779) 23.274 8.497 ( -10.278 1.701 3.343) 10.941 8.679 ( -14.425 -2.851 0.199) 14.705 8.849 ( -0.747 1.277 1.614) 2.190 8.932 ( -1.629 -1.896 -0.776) 2.618 8.964 ( -9.883 0.000 6.000) 11.562 9.104 ( -4.333 3.863 -7.533) 9.511 9.295 ( -15.885 -2.232 -6.532) 17.320 10.276 ( 44.718 0.709 0.371) 44.725 10.374 ( 37.486 0.033 -4.842) 37.797 11.225 ( -4.669 0.431 7.171) 8.568 11.344 ( -4.160 -3.459 5.663) 7.832 11.394 ( 4.156 2.261 5.631) 7.355 11.570 ( 0.269 4.113 3.916) 5.685 11.895 ( -4.823 -6.912 2.472) 8.783 12.099 ( -1.161 0.517 0.057) 1.273 12.235 ( -7.151 -3.691 -13.986) 16.136 12.433 ( -0.432 5.874 -6.986) 9.138 14.280 ( -17.652 -3.957 5.582) 18.932 14.505 ( -15.906 -5.027 -4.032) 17.162 14.880 ( 8.803 2.288 4.163) 10.003 15.007 ( 5.877 2.576 -1.359) 6.559 21.239 ( 0.241 -3.294 2.245) 3.993 21.376 ( 4.829 1.365 -3.365) 6.042 21.613 ( 0.187 3.921 1.631) 4.250 21.670 ( 0.058 3.657 0.498) 3.691 21.725 ( -2.731 -0.214 1.880) 3.322 21.781 ( 0.777 6.064 -0.861) 6.174 22.447 ( 9.362 -5.975 1.241) 11.175 22.588 ( 15.033 -2.310 -3.974) 15.720 25.871 ( -26.895 -2.834 1.789) 27.103 25.969 ( -25.528 -4.153 -2.221) 25.959 26.623 ( 15.530 1.070 1.679) 15.657 26.692 ( 14.807 0.790 -1.095) 14.868 ======================= Grid point 122 (43/93) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -12.635 5.900 2.679) 14.200 1.701 ( -10.800 7.265 2.927) 13.341 1.730 ( -4.037 -0.990 -3.378) 5.356 1.933 ( -3.884 3.436 3.203) 6.095 1.980 ( -2.138 6.764 -6.802) 9.828 2.104 ( -1.766 -0.484 -5.663) 5.952 2.227 ( -1.776 0.072 -2.039) 2.705 2.248 ( 0.764 -3.570 -1.401) 3.911 2.367 ( -3.391 4.099 9.277) 10.694 2.482 ( 0.699 2.027 4.981) 5.423 2.606 ( 0.423 3.717 -3.961) 5.448 2.653 ( 0.325 -0.046 -2.688) 2.708 2.799 ( 4.056 -1.073 0.720) 4.257 2.892 ( 0.869 1.616 -2.569) 3.157 2.962 ( -8.078 1.380 4.225) 9.220 3.001 ( -4.247 -1.328 5.872) 7.367 3.202 ( -2.740 -7.741 8.279) 11.661 3.230 ( -3.537 3.815 -2.409) 5.733 3.344 ( -3.289 2.560 -1.336) 4.377 3.405 ( -2.170 1.998 -1.689) 3.399 3.473 ( -3.088 5.534 1.319) 6.473 3.604 ( 0.251 3.969 -2.536) 4.717 3.769 ( -3.202 6.157 -7.297) 10.071 3.835 ( -0.202 -3.688 -6.663) 7.618 4.336 ( -19.804 7.088 3.425) 21.311 4.416 ( -7.074 -0.586 2.651) 7.577 4.525 ( -9.461 0.585 1.027) 9.534 4.672 ( -0.166 -5.767 -3.385) 6.689 5.127 ( -15.730 1.739 -1.846) 15.933 5.300 ( -13.575 1.126 -8.085) 15.840 5.516 ( -2.859 -1.897 10.753) 11.287 5.805 ( -0.845 -3.328 3.633) 4.999 6.394 ( -4.882 -0.536 4.941) 6.967 6.732 ( 0.177 -2.658 3.819) 4.656 6.747 ( -6.063 -7.009 -4.508) 10.306 7.158 ( 2.593 5.981 -8.995) 11.109 7.685 ( -35.279 -0.117 0.702) 35.286 7.752 ( -26.657 -1.210 -0.572) 26.690 8.085 ( -13.589 -2.704 -1.285) 13.915 8.199 ( -23.058 -3.509 -1.567) 23.376 8.411 ( -20.240 -1.900 4.749) 20.876 8.611 ( -24.026 1.604 -2.875) 24.250 8.859 ( 2.466 -1.522 7.233) 7.792 9.046 ( 9.779 -0.729 2.514) 10.124 9.104 ( 6.976 0.193 1.472) 7.132 9.266 ( 2.582 -5.207 -6.756) 8.912 10.809 ( 8.233 -1.606 1.413) 8.506 10.924 ( 22.959 -0.288 -3.409) 23.212 11.232 ( 5.163 0.054 0.944) 5.249 11.328 ( 1.745 -1.464 -1.510) 2.733 11.518 ( 15.376 -0.122 9.286) 17.962 11.578 ( 7.478 2.362 5.261) 9.443 11.877 ( -2.695 -3.999 -0.688) 4.871 11.986 ( -9.477 4.550 -2.551) 10.818 12.146 ( -5.059 -3.484 -7.261) 9.510 12.347 ( -3.824 3.095 -4.745) 6.835 14.062 ( -11.349 -4.247 5.240) 13.202 14.294 ( -13.987 -6.453 -4.330) 16.001 14.952 ( 1.052 1.296 2.879) 3.328 15.023 ( -2.022 1.795 -0.209) 2.712 21.274 ( 1.330 -0.792 2.521) 2.959 21.422 ( 2.911 4.605 -2.900) 6.172 21.537 ( -2.285 7.336 3.209) 8.326 21.619 ( -3.276 -0.313 0.072) 3.292 21.681 ( -1.846 -1.573 -0.470) 2.470 21.796 ( 5.194 5.631 -2.171) 7.963 22.742 ( 16.435 -7.636 3.424) 18.443 22.938 ( 21.589 -3.914 -4.066) 22.314 25.414 ( -29.399 -3.533 2.392) 29.707 25.552 ( -28.186 -6.077 -3.329) 29.025 26.849 ( 11.727 0.455 1.689) 11.856 26.918 ( 12.438 0.426 -1.117) 12.495 ======================= Grid point 123 (44/93) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -16.489 10.670 8.118) 21.251 1.406 ( -14.299 12.522 4.792) 19.602 1.650 ( -4.860 2.045 -7.335) 9.034 1.821 ( -6.096 10.022 -14.221) 18.434 1.889 ( -0.923 -0.263 4.290) 4.396 2.068 ( -5.738 3.376 0.410) 6.670 2.185 ( -4.147 -0.478 1.395) 4.401 2.206 ( -9.445 6.032 11.381) 15.972 2.259 ( -3.127 -0.622 -0.102) 3.190 2.447 ( -3.171 0.815 4.361) 5.454 2.574 ( -1.676 3.444 -0.526) 3.866 2.624 ( -6.688 1.501 -0.560) 6.877 2.642 ( -6.918 2.885 -0.925) 7.553 2.884 ( 3.592 2.324 3.524) 5.543 2.930 ( -1.304 -0.573 -0.495) 1.508 3.034 ( 1.617 -3.974 -0.013) 4.290 3.111 ( -6.323 5.637 -4.609) 9.644 3.157 ( -5.739 2.364 1.396) 6.362 3.251 ( -6.547 1.004 0.345) 6.633 3.336 ( -2.398 1.132 -4.684) 5.383 3.419 ( -1.330 -0.480 0.061) 1.415 3.603 ( 3.016 3.627 -4.008) 6.190 3.659 ( -2.741 4.259 -3.539) 6.178 3.798 ( -12.835 0.189 1.151) 12.888 3.963 ( -8.513 -0.189 0.859) 8.558 4.203 ( -15.854 0.053 -6.848) 17.270 4.423 ( -4.815 -1.815 8.471) 9.911 4.709 ( -0.275 -3.260 -4.836) 5.839 4.794 ( -20.651 -0.697 -1.676) 20.731 5.019 ( -16.672 -0.251 -13.933) 21.729 5.566 ( 6.134 -2.789 13.584) 15.163 5.857 ( 3.230 -6.001 7.791) 10.351 6.337 ( -0.957 2.322 6.476) 6.946 6.682 ( -5.832 -7.383 -7.827) 12.238 6.804 ( 2.021 -1.372 4.399) 5.032 7.108 ( -25.216 1.423 -1.907) 25.328 7.139 ( -6.232 3.976 -4.186) 8.495 7.383 ( -13.246 1.440 -5.069) 14.256 7.743 ( -28.421 -3.954 5.356) 29.190 7.894 ( -16.619 -1.990 -0.642) 16.750 8.064 ( -20.491 -1.948 2.473) 20.731 8.142 ( -26.745 0.917 -1.218) 26.789 9.013 ( 12.083 -0.150 7.880) 14.426 9.214 ( 9.080 -1.064 2.449) 9.465 9.305 ( 14.250 -2.894 1.021) 14.576 9.425 ( 9.407 -7.122 -6.716) 13.576 10.783 ( -8.277 -4.016 3.385) 9.803 10.971 ( -12.479 -4.099 -4.165) 13.779 11.267 ( -2.102 -1.476 -0.619) 2.642 11.375 ( -1.890 -0.303 -4.678) 5.054 11.663 ( -3.789 3.714 0.746) 5.357 11.701 ( -4.263 3.853 5.893) 8.230 11.942 ( 6.774 2.811 -5.447) 9.136 12.003 ( 21.921 -0.543 1.174) 21.959 12.169 ( 9.492 2.277 2.737) 10.138 12.356 ( 10.636 -4.846 -4.100) 12.386 13.969 ( -3.307 -2.612 3.552) 5.511 14.152 ( -9.001 -6.302 -3.717) 11.599 14.891 ( -7.216 0.595 1.677) 7.432 14.909 ( -9.414 0.942 0.817) 9.496 21.286 ( 0.480 1.615 2.194) 2.766 21.378 ( -3.167 4.266 -1.274) 5.464 21.451 ( 0.826 9.473 5.383) 10.927 21.582 ( -2.350 -2.049 -1.443) 3.435 21.669 ( -4.231 -5.594 -0.884) 7.069 21.837 ( 4.560 4.401 -3.604) 7.291 23.093 ( 15.342 -8.548 4.847) 18.219 23.360 ( 22.332 -5.142 -5.259) 23.512 24.951 ( -27.106 -2.668 2.477) 27.350 25.120 ( -28.158 -5.681 -5.017) 29.161 27.019 ( 8.543 -0.204 2.810) 8.995 27.115 ( 10.877 0.070 -1.264) 10.950 ======================= Grid point 124 (45/93) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -13.373 12.605 15.157) 23.821 0.992 ( -19.389 14.755 10.290) 26.449 1.520 ( -6.805 4.210 -12.935) 15.210 1.621 ( -7.197 12.718 -14.980) 20.927 1.669 ( -16.623 21.592 21.279) 34.573 1.889 ( 0.613 0.729 5.127) 5.215 2.075 ( -5.010 2.814 -1.095) 5.850 2.119 ( -5.676 -1.802 1.069) 6.051 2.176 ( -3.822 2.555 3.438) 5.741 2.365 ( -7.908 -4.267 3.040) 9.486 2.450 ( -3.363 2.605 6.303) 7.604 2.556 ( -6.380 -3.241 -2.702) 7.650 2.600 ( -0.053 0.733 -4.681) 4.739 2.831 ( -3.957 5.663 5.939) 9.110 2.883 ( -5.401 2.128 1.551) 6.009 2.940 ( -6.915 7.787 -1.063) 10.468 2.960 ( -5.082 5.396 -9.784) 12.274 3.111 ( 2.724 -0.035 -4.497) 5.258 3.190 ( -0.416 -5.633 -3.280) 6.532 3.326 ( 1.081 -1.139 -2.686) 3.111 3.405 ( -1.905 -1.814 0.437) 2.666 3.554 ( -4.441 -0.252 2.223) 4.973 3.606 ( 0.687 3.129 -7.437) 8.097 3.703 ( 2.495 -1.680 5.541) 6.304 3.948 ( -8.465 0.913 -8.573) 12.083 3.983 ( -0.162 -2.441 -3.252) 4.070 4.313 ( -12.586 -2.765 7.123) 14.723 4.490 ( -12.613 -0.258 -2.558) 12.872 4.729 ( -2.096 -2.941 -4.833) 6.034 4.790 ( -6.078 5.394 -17.502) 19.297 5.758 ( 10.875 -5.878 12.339) 17.466 6.043 ( 9.612 -11.394 10.737) 18.371 6.334 ( 4.483 2.964 9.538) 10.948 6.632 ( -14.247 0.358 -0.615) 14.264 6.687 ( -2.609 -4.866 -3.128) 6.346 6.836 ( -16.920 -0.843 -7.979) 18.726 6.983 ( 0.047 -1.109 6.287) 6.384 7.278 ( -24.503 1.285 12.982) 27.760 7.366 ( 10.023 6.130 -9.272) 14.967 7.621 ( -15.890 -2.643 -0.331) 16.112 7.745 ( -17.390 0.835 -2.497) 17.588 7.798 ( -12.754 -2.341 0.585) 12.980 9.220 ( 10.500 -0.158 5.382) 11.800 9.383 ( 8.493 -1.944 5.316) 10.207 9.584 ( 13.648 -3.620 -2.513) 14.342 9.676 ( 11.581 -5.920 -7.215) 14.873 10.672 ( -7.603 -3.723 1.286) 8.563 10.744 ( -15.375 -3.610 -1.589) 15.873 11.144 ( -19.181 -1.113 -3.867) 19.598 11.233 ( -4.427 -0.708 -4.478) 6.336 11.563 ( -0.694 -0.471 4.369) 4.448 11.696 ( 1.046 2.713 9.389) 9.829 11.968 ( 0.505 0.003 -7.699) 7.716 12.079 ( 1.022 4.467 -0.690) 4.634 12.560 ( 23.706 1.209 3.697) 24.023 12.707 ( 18.878 -2.556 -2.821) 19.258 13.976 ( 1.981 -0.174 1.807) 2.687 14.095 ( -3.597 -5.099 -2.657) 6.782 14.699 ( -12.074 0.220 1.403) 12.157 14.738 ( -9.722 0.273 0.076) 9.726 21.267 ( -1.130 1.511 0.878) 2.081 21.285 ( -3.433 1.864 0.251) 3.915 21.375 ( -0.519 9.387 6.174) 11.247 21.555 ( -4.765 -3.936 -0.886) 6.244 21.617 ( -6.648 -5.387 1.713) 8.726 21.876 ( 2.702 1.027 -4.158) 5.064 23.376 ( 8.081 -8.699 5.553) 13.107 23.749 ( 15.780 -6.615 -8.667) 19.181 24.570 ( -17.783 -0.168 1.414) 17.840 24.702 ( -22.322 0.661 -5.865) 23.089 27.155 ( 6.474 -2.251 5.682) 8.904 27.281 ( 7.640 -0.754 -1.030) 7.746 ======================= Grid point 125 (46/93) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 0.000 9.739 22.243) 24.282 0.653 ( 0.000 18.717 17.679) 25.746 1.263 ( 0.000 24.899 37.798) 45.262 1.409 ( 0.000 3.454 -16.530) 16.887 1.475 ( 0.000 10.822 -22.200) 24.697 1.878 ( 0.000 2.073 4.936) 5.354 1.970 ( 0.000 3.277 -0.648) 3.340 2.086 ( -0.000 -1.355 3.211) 3.485 2.127 ( 0.000 1.939 3.532) 4.029 2.318 ( -0.000 -5.494 5.097) 7.494 2.426 ( 0.000 0.607 9.595) 9.614 2.461 ( 0.000 0.548 -0.852) 1.013 2.602 ( -0.000 -0.928 -5.163) 5.246 2.733 ( 0.000 3.627 2.328) 4.310 2.818 ( 0.000 4.928 -0.602) 4.965 2.827 ( -0.000 -0.117 4.522) 4.524 2.894 ( 0.000 3.331 -14.563) 14.939 3.132 ( 0.000 2.152 -9.145) 9.395 3.256 ( -0.000 -5.163 -3.646) 6.321 3.372 ( -0.000 -2.424 -6.512) 6.949 3.380 ( 0.000 0.152 5.280) 5.282 3.535 ( -0.000 -1.585 0.268) 1.607 3.602 ( 0.000 1.522 -6.655) 6.827 3.747 ( -0.000 -0.768 8.646) 8.680 3.844 ( -0.000 -0.262 -13.482) 13.484 4.042 ( 0.000 0.773 -0.100) 0.780 4.119 ( 0.000 1.097 5.982) 6.081 4.383 ( -0.000 -0.169 -4.072) 4.075 4.647 ( 0.000 9.774 -10.966) 14.689 4.756 ( -0.000 -1.048 -4.579) 4.697 5.947 ( -0.000 -9.842 11.086) 14.825 6.302 ( -0.000 -13.816 4.048) 14.397 6.460 ( -0.000 -0.744 0.026) 0.745 6.476 ( 0.000 0.896 -0.093) 0.901 6.546 ( -0.000 -0.997 12.553) 12.593 6.748 ( -0.000 -6.621 -0.631) 6.651 7.000 ( 0.000 1.909 11.857) 12.010 7.041 ( -0.000 -1.349 6.386) 6.526 7.474 ( -0.000 -1.747 -1.810) 2.516 7.534 ( 0.000 1.743 -5.137) 5.425 7.534 ( 0.000 8.634 -15.058) 17.357 7.666 ( -0.000 -1.410 -3.118) 3.422 9.324 ( -0.000 -1.208 5.834) 5.958 9.487 ( -0.000 -1.303 5.988) 6.128 9.755 ( -0.000 -2.802 -4.741) 5.507 9.836 ( -0.000 -3.217 -9.044) 9.599 10.609 ( -0.000 -2.448 0.181) 2.454 10.625 ( -0.000 -2.547 -0.376) 2.575 10.920 ( -0.000 -0.098 6.189) 6.189 11.197 ( 0.000 0.070 -5.223) 5.223 11.567 ( -0.000 -0.424 5.196) 5.213 11.697 ( -0.000 -0.684 8.560) 8.587 11.967 ( 0.000 1.730 -7.264) 7.468 12.072 ( 0.000 0.629 -0.511) 0.810 12.771 ( 0.000 1.377 2.571) 2.917 12.901 ( -0.000 -1.231 -3.610) 3.814 14.002 ( 0.000 0.420 1.864) 1.910 14.105 ( -0.000 -2.994 -2.520) 3.913 14.573 ( 0.000 0.014 1.244) 1.244 14.632 ( 0.000 0.187 -1.156) 1.171 21.236 ( 0.000 0.038 0.338) 0.341 21.253 ( 0.000 0.253 -0.340) 0.424 21.282 ( 0.000 7.291 7.123) 10.193 21.523 ( -0.000 -7.287 8.972) 11.559 21.582 ( -0.000 -0.926 0.106) 0.932 21.907 ( -0.000 -2.743 -3.994) 4.845 23.510 ( -0.000 -7.978 6.387) 10.220 23.954 ( -0.000 -6.464 -12.174) 13.784 24.365 ( 0.000 6.506 -0.114) 6.507 24.453 ( 0.000 6.735 -2.587) 7.214 27.267 ( -0.000 -6.930 6.845) 9.741 27.361 ( -0.000 -1.024 -0.299) 1.067 ======================= Grid point 128 (47/93) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 16.341 -0.000 7.311) 17.902 1.730 ( 9.314 -0.000 2.294) 9.593 1.852 ( 5.302 -0.000 -3.423) 6.311 1.857 ( 7.239 -0.000 -0.398) 7.250 1.988 ( 2.140 -0.000 2.615) 3.379 2.107 ( 1.875 -0.000 -3.926) 4.351 2.278 ( -1.820 0.000 8.549) 8.740 2.346 ( -2.608 0.000 0.796) 2.727 2.365 ( 3.600 -0.000 0.435) 3.626 2.402 ( -0.364 0.000 3.687) 3.705 2.633 ( -2.893 0.000 -2.969) 4.145 2.695 ( 4.169 -0.000 -9.539) 10.410 2.720 ( -2.284 0.000 1.774) 2.892 2.888 ( 1.393 -0.000 -3.879) 4.122 2.992 ( 4.232 -0.000 -0.440) 4.255 3.176 ( -0.855 0.000 5.279) 5.348 3.234 ( -1.477 0.000 -2.593) 2.984 3.283 ( 4.774 -0.000 -6.577) 8.127 3.377 ( 7.449 -0.000 2.176) 7.760 3.397 ( 0.821 -0.000 -0.427) 0.925 3.404 ( 5.145 -0.000 1.253) 5.295 3.592 ( 5.588 -0.000 -9.259) 10.814 3.662 ( 2.159 -0.000 8.603) 8.870 3.973 ( -1.100 0.000 -4.389) 4.524 4.338 ( 6.955 -0.000 4.773) 8.435 4.544 ( 2.953 -0.000 -4.190) 5.126 4.651 ( 5.214 -0.000 4.216) 6.705 4.874 ( 3.836 -0.000 -5.071) 6.359 5.324 ( 9.218 -0.000 -0.440) 9.228 5.495 ( 10.068 -0.000 -10.554) 14.586 5.511 ( -1.283 0.000 10.133) 10.214 5.822 ( -7.148 0.000 -1.496) 7.303 6.513 ( 8.072 -0.000 12.963) 15.270 6.731 ( -4.107 0.000 2.845) 4.997 6.836 ( -2.857 0.000 -3.927) 4.857 7.156 ( 9.234 -0.000 -11.884) 15.050 8.263 ( 9.503 -0.000 8.316) 12.628 8.286 ( 30.004 -0.000 1.162) 30.027 8.388 ( 26.273 -0.000 2.120) 26.358 8.510 ( 6.831 -0.000 8.305) 10.753 8.547 ( 2.906 -0.000 0.908) 3.045 8.848 ( -5.287 0.000 1.074) 5.395 8.932 ( 11.852 -0.000 -8.815) 14.770 9.008 ( 9.913 -0.000 6.671) 11.949 9.076 ( 2.165 -0.000 -6.738) 7.077 9.355 ( 7.218 -0.000 -8.250) 10.962 10.250 ( -42.922 0.000 1.071) 42.935 10.370 ( -36.566 0.000 -5.081) 36.918 11.252 ( 3.830 -0.000 8.157) 9.012 11.462 ( -4.237 0.000 8.688) 9.666 11.619 ( -0.388 0.000 10.737) 10.744 11.668 ( 6.255 -0.000 -9.509) 11.382 11.772 ( -1.021 0.000 -4.645) 4.756 11.832 ( 3.842 -0.000 13.667) 14.196 12.232 ( 1.691 -0.000 -12.657) 12.770 12.412 ( 6.485 -0.000 -11.810) 13.473 14.509 ( 14.536 -0.000 4.231) 15.139 14.682 ( 13.873 -0.000 -3.131) 14.222 14.802 ( -11.406 0.000 3.625) 11.968 14.908 ( -8.202 0.000 -0.826) 8.244 21.200 ( -3.425 0.000 0.613) 3.479 21.223 ( 1.574 -0.000 -1.144) 1.946 21.449 ( 8.362 -0.000 7.782) 11.423 21.695 ( -1.229 0.000 1.478) 1.922 21.734 ( 5.373 -0.000 -3.664) 6.503 21.808 ( 1.232 -0.000 -4.233) 4.409 22.610 ( -15.566 0.000 0.091) 15.566 22.638 ( -20.105 0.000 -1.194) 20.140 25.968 ( 24.341 -0.000 2.893) 24.512 26.126 ( 19.689 -0.000 -3.659) 20.026 26.609 ( -17.438 0.000 0.631) 17.450 26.635 ( -15.191 0.000 -0.347) 15.195 ======================= Grid point 129 (48/93) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -0.964 -0.322 1.110) 1.506 1.789 ( 3.469 -2.449 2.360) 4.859 1.920 ( 3.102 -1.070 -0.495) 3.318 1.988 ( 4.114 1.852 0.350) 4.525 2.012 ( 2.292 -0.391 0.575) 2.395 2.142 ( 1.582 -0.851 -4.428) 4.779 2.263 ( 0.193 -0.237 10.013) 10.018 2.311 ( 0.310 0.945 1.909) 2.153 2.399 ( 4.236 3.754 1.097) 5.766 2.471 ( 4.626 -2.229 3.887) 6.441 2.580 ( -0.949 3.175 -3.758) 5.010 2.665 ( -0.500 3.880 1.360) 4.142 2.783 ( 1.212 -5.793 -5.366) 7.989 2.868 ( -1.387 1.555 -7.401) 7.688 3.019 ( -7.723 -1.712 1.118) 7.989 3.065 ( -2.876 0.866 2.120) 3.677 3.179 ( -3.434 0.420 -4.204) 5.444 3.350 ( 2.100 -1.194 -10.832) 11.098 3.419 ( 2.117 0.508 4.448) 4.952 3.473 ( 1.564 -1.836 0.627) 2.492 3.564 ( 9.971 0.465 3.870) 10.705 3.701 ( 4.963 -0.224 -0.098) 4.969 3.707 ( 4.344 1.145 3.742) 5.847 3.929 ( -2.512 2.669 -2.798) 4.611 4.408 ( 0.032 -4.396 2.697) 5.158 4.547 ( -2.027 -0.119 -3.299) 3.873 4.715 ( 2.742 1.997 4.037) 5.273 4.907 ( 0.295 2.590 -4.415) 5.127 5.429 ( 1.515 1.235 2.792) 3.408 5.490 ( 2.770 3.020 3.110) 5.144 5.649 ( 5.490 -3.182 -4.446) 7.748 5.701 ( -7.418 -1.717 -3.365) 8.324 6.576 ( -3.801 -0.496 4.578) 5.971 6.675 ( 0.705 0.927 10.947) 11.009 6.780 ( -5.949 -3.593 -5.082) 8.610 7.261 ( 4.273 2.605 -11.372) 12.425 8.251 ( -6.173 -1.422 6.562) 9.120 8.406 ( -15.822 -2.554 -0.094) 16.027 8.504 ( -0.030 0.484 10.933) 10.944 8.699 ( -10.476 0.108 3.619) 11.084 8.724 ( 17.184 0.527 1.324) 17.242 8.801 ( 11.154 1.075 -0.682) 11.226 8.891 ( -13.281 -1.162 -8.694) 15.916 9.147 ( 4.661 1.377 -8.246) 9.572 9.494 ( 25.569 -0.158 2.851) 25.728 9.521 ( -23.616 0.149 4.059) 23.963 9.723 ( 14.376 -0.480 -7.128) 16.053 9.765 ( -15.141 0.131 -6.730) 16.570 11.307 ( 0.790 -0.532 11.378) 11.417 11.375 ( -3.718 2.311 8.901) 9.920 11.534 ( -3.061 7.465 2.217) 8.367 11.682 ( -7.276 -4.842 -1.171) 8.818 11.782 ( 4.658 2.585 -1.726) 5.600 11.959 ( 4.364 -6.672 9.539) 12.432 12.229 ( -3.018 -2.217 -14.871) 15.335 12.514 ( 5.428 2.293 -10.304) 11.870 14.536 ( -17.690 -0.699 4.351) 18.231 14.694 ( -12.527 -0.011 -2.238) 12.725 14.755 ( 10.476 0.679 4.350) 11.364 14.909 ( 10.941 0.759 -2.073) 11.161 21.163 ( -1.580 -1.855 2.199) 3.283 21.277 ( 4.098 -0.988 -3.379) 5.402 21.598 ( 7.800 -0.048 7.186) 10.606 21.695 ( 2.124 1.465 2.659) 3.705 21.793 ( 1.829 1.558 -2.459) 3.438 21.865 ( 4.856 1.535 -2.995) 5.909 22.360 ( -11.532 -1.132 -0.433) 11.595 22.440 ( -2.623 -0.053 -3.445) 4.330 26.234 ( -15.558 -0.736 -0.512) 15.584 26.293 ( -16.538 -1.073 -2.883) 16.821 26.372 ( 11.952 0.737 3.663) 12.522 26.463 ( 11.722 0.807 -0.067) 11.749 ======================= Grid point 130 (49/93) ======================= q-point: (-0.60 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -2.695 -1.063 0.255) 2.908 1.773 ( -4.565 -0.336 -1.180) 4.727 1.904 ( -5.499 -0.839 3.812) 6.744 2.034 ( 2.910 1.587 -0.195) 3.320 2.060 ( 2.711 -0.099 -1.287) 3.003 2.155 ( -1.784 -1.276 -4.666) 5.156 2.242 ( -1.792 3.757 3.640) 5.530 2.321 ( 0.835 4.407 0.316) 4.496 2.456 ( 4.905 1.483 3.143) 6.011 2.526 ( 1.834 1.805 1.450) 2.954 2.606 ( 5.063 1.607 -0.328) 5.322 2.626 ( -0.070 2.911 2.695) 3.968 2.803 ( -1.184 1.275 -3.131) 3.582 2.838 ( -3.832 -3.420 1.080) 5.249 2.899 ( -4.057 -5.861 -1.455) 7.275 3.047 ( -0.981 -0.852 2.532) 2.846 3.129 ( -3.125 -1.451 -5.097) 6.152 3.381 ( 0.637 -0.347 -8.798) 8.828 3.435 ( -0.341 1.174 4.316) 4.486 3.483 ( -1.199 -0.106 -0.786) 1.437 3.658 ( 3.335 4.209 2.356) 5.863 3.694 ( -1.884 5.789 1.724) 6.327 3.782 ( 2.165 -0.493 -0.956) 2.417 3.886 ( 1.020 2.208 -0.341) 2.456 4.431 ( -3.480 -6.210 1.721) 7.324 4.511 ( -1.435 -1.968 -1.671) 2.953 4.687 ( -3.972 3.449 2.450) 5.802 4.808 ( -8.721 4.825 -2.538) 10.285 5.380 ( -4.027 3.383 1.242) 5.404 5.499 ( -1.210 3.611 0.045) 3.809 5.573 ( -10.019 -3.196 0.115) 10.517 5.737 ( 1.021 -3.265 -0.400) 3.444 6.461 ( -7.958 -1.498 1.417) 8.221 6.688 ( -5.856 -4.072 -0.796) 7.177 6.699 ( -1.674 -1.433 7.246) 7.574 7.266 ( 0.221 3.733 -10.776) 11.406 8.069 ( -21.418 -2.963 2.217) 21.736 8.144 ( -14.428 -4.219 -1.416) 15.099 8.327 ( -21.236 0.691 1.241) 21.283 8.522 ( -15.430 1.286 0.417) 15.489 8.612 ( -14.431 -3.907 2.698) 15.192 8.877 ( -1.390 1.683 2.398) 3.243 8.912 ( -3.015 -0.619 -0.553) 3.127 8.963 ( -10.006 -0.133 5.864) 11.599 9.154 ( -5.416 1.860 -6.738) 8.843 9.263 ( -18.759 -1.363 -4.709) 19.389 10.286 ( 45.631 0.461 0.036) 45.634 10.374 ( 37.861 -0.025 -4.655) 38.146 11.239 ( -4.942 0.604 7.729) 9.193 11.329 ( -2.515 2.089 9.074) 9.645 11.456 ( 1.127 3.844 0.892) 4.104 11.590 ( -6.346 -3.032 -0.388) 7.044 11.822 ( 1.235 0.091 0.818) 1.484 12.055 ( 0.982 -4.239 7.478) 8.652 12.168 ( -7.487 -3.928 -15.942) 18.046 12.525 ( -1.423 4.180 -6.577) 7.922 14.231 ( -17.499 -1.756 5.081) 18.306 14.433 ( -17.345 -3.044 -3.364) 17.928 14.918 ( 7.830 1.788 3.923) 8.938 15.042 ( 5.206 1.371 -1.414) 5.566 21.179 ( 0.885 -2.975 3.338) 4.558 21.369 ( 5.009 -1.248 -5.227) 7.346 21.670 ( 1.706 2.083 3.507) 4.421 21.733 ( 2.631 2.818 4.026) 5.574 21.757 ( -3.339 3.404 -0.593) 4.805 21.900 ( 4.024 6.931 -2.704) 8.459 22.336 ( 5.730 -6.364 2.274) 8.861 22.546 ( 12.819 -2.198 -5.439) 14.098 25.829 ( -27.586 -1.833 1.220) 27.674 25.909 ( -26.798 -2.577 -2.094) 27.003 26.642 ( 15.288 1.025 1.704) 15.417 26.699 ( 13.561 0.059 -0.534) 13.572 ======================= Grid point 131 (50/93) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -7.480 3.007 -0.614) 8.085 1.709 ( -2.304 -1.085 -1.810) 3.124 1.787 ( -7.540 2.986 4.403) 9.228 1.973 ( -7.460 2.090 -2.551) 8.157 2.085 ( -0.644 1.600 -2.057) 2.684 2.133 ( 1.712 4.195 -1.601) 4.806 2.192 ( 0.338 0.060 -0.341) 0.484 2.271 ( -1.487 4.023 -1.510) 4.547 2.446 ( -3.820 4.804 7.372) 9.593 2.519 ( -0.151 1.820 2.064) 2.756 2.655 ( 1.789 0.360 -0.946) 2.056 2.662 ( 2.437 0.175 -1.160) 2.705 2.757 ( -1.260 -1.252 0.094) 1.779 2.863 ( 0.994 -4.454 3.667) 5.854 2.910 ( -0.281 -2.585 -1.059) 2.807 3.046 ( -2.513 -1.375 -0.748) 2.960 3.093 ( -2.082 -2.634 3.749) 5.033 3.324 ( -5.353 6.511 0.375) 8.437 3.393 ( -0.947 2.614 -3.084) 4.153 3.451 ( -1.492 2.578 -0.878) 3.105 3.565 ( -4.071 5.679 1.230) 7.095 3.669 ( 1.073 3.294 -2.516) 4.282 3.789 ( -1.686 -0.667 -3.541) 3.978 3.874 ( 0.440 5.194 -2.959) 5.994 4.391 ( -5.167 -1.995 3.894) 6.770 4.461 ( -17.972 5.959 1.261) 18.976 4.532 ( -10.159 -1.504 -1.522) 10.382 4.581 ( -4.147 -2.415 -0.836) 4.871 5.165 ( -18.633 2.450 -0.846) 18.812 5.317 ( -16.663 0.460 -6.582) 17.921 5.494 ( -0.538 -0.046 11.059) 11.072 5.754 ( -1.122 -2.583 3.066) 4.163 6.375 ( -3.221 -1.412 -0.187) 3.522 6.596 ( -8.466 -7.564 -6.772) 13.220 6.728 ( 2.634 -0.274 10.813) 11.133 7.234 ( 0.087 2.920 -9.848) 10.272 7.683 ( -31.061 -0.099 0.626) 31.068 7.724 ( -25.899 -1.867 -0.068) 25.967 8.051 ( -17.099 -1.191 -4.824) 17.806 8.135 ( -22.551 -3.607 -3.623) 23.123 8.367 ( -20.534 -2.656 4.550) 21.199 8.628 ( -26.754 0.245 -6.354) 27.499 8.831 ( 4.803 -1.428 10.759) 11.869 9.035 ( 8.778 -0.475 2.916) 9.262 9.098 ( 3.523 -1.554 1.992) 4.335 9.192 ( -0.167 -2.559 -3.389) 4.250 10.791 ( 4.866 -0.405 1.163) 5.019 10.911 ( 17.610 -1.104 -3.693) 18.027 11.251 ( 3.944 2.298 2.957) 5.438 11.324 ( 9.730 0.768 -1.413) 9.862 11.518 ( 14.138 -0.809 6.881) 15.744 11.603 ( 10.399 0.173 1.022) 10.451 11.823 ( -1.921 -0.819 -2.048) 2.925 12.025 ( -11.240 -0.723 -8.158) 13.907 12.077 ( -1.602 -3.329 1.596) 4.024 12.401 ( -8.142 2.752 -1.088) 8.663 14.015 ( -8.678 -1.378 3.313) 9.390 14.189 ( -14.667 -5.270 -3.506) 15.975 14.976 ( 0.294 1.299 2.993) 3.275 15.052 ( -2.812 1.414 -0.338) 3.165 21.237 ( 2.432 -2.941 3.480) 5.165 21.451 ( 2.952 -0.810 -6.100) 6.825 21.624 ( -4.732 2.086 0.874) 5.245 21.645 ( -5.190 3.015 0.431) 6.018 21.731 ( 2.632 6.851 4.388) 8.551 21.928 ( 6.994 8.997 -2.479) 11.662 22.595 ( 14.348 -9.095 4.467) 17.565 22.863 ( 19.704 -4.366 -5.747) 20.984 25.358 ( -29.158 -2.613 1.637) 29.321 25.458 ( -28.821 -4.603 -2.488) 29.292 26.861 ( 11.429 0.972 1.605) 11.582 26.918 ( 11.800 -0.518 -0.662) 11.830 ======================= Grid point 132 (51/93) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -13.220 9.801 4.050) 16.948 1.586 ( -10.744 8.194 5.372) 14.541 1.673 ( -2.522 0.798 -5.396) 6.009 1.867 ( -4.162 -1.188 -3.594) 5.626 2.006 ( -2.140 8.495 -2.761) 9.185 2.123 ( 0.527 4.008 -1.695) 4.383 2.193 ( -2.964 1.588 -1.860) 3.843 2.226 ( -1.021 -0.955 0.266) 1.423 2.312 ( -6.515 4.382 8.553) 11.611 2.433 ( -9.849 -0.519 5.399) 11.244 2.626 ( -3.184 1.976 -2.163) 4.327 2.651 ( -1.003 2.584 -6.468) 7.037 2.808 ( -0.449 -1.052 2.443) 2.698 2.858 ( -5.551 5.067 6.538) 9.962 2.911 ( 1.304 -2.240 3.479) 4.338 2.992 ( 2.637 0.013 -2.653) 3.741 3.100 ( -2.671 -3.317 6.508) 7.778 3.205 ( -2.804 4.319 -0.236) 5.154 3.322 ( -3.549 5.267 -3.850) 7.427 3.388 ( -2.273 4.289 -2.482) 5.452 3.452 ( -4.563 3.616 0.327) 5.831 3.659 ( 0.128 2.393 -4.891) 5.447 3.729 ( -3.906 2.595 -3.976) 6.148 3.836 ( -1.945 4.983 -5.013) 7.331 3.994 ( -20.949 3.902 3.948) 21.672 4.216 ( -16.678 1.397 -4.954) 17.454 4.387 ( -4.682 -2.477 7.616) 9.277 4.639 ( 1.206 -4.892 -4.104) 6.498 4.785 ( -21.964 -0.444 0.200) 21.969 5.001 ( -18.064 -1.586 -9.276) 20.368 5.541 ( 6.155 0.057 12.510) 13.943 5.776 ( 1.420 -3.440 6.639) 7.611 6.362 ( 0.712 0.712 -0.403) 1.085 6.547 ( -4.791 -7.596 -6.160) 10.890 6.782 ( 2.137 -1.077 8.317) 8.655 7.122 ( -29.358 0.937 1.539) 29.413 7.196 ( -6.898 2.180 -8.348) 11.046 7.385 ( -12.823 -1.345 -6.506) 14.442 7.661 ( -26.073 -5.034 5.056) 27.031 7.874 ( -15.568 -0.257 -4.794) 16.291 8.019 ( -21.409 -3.102 2.290) 21.753 8.138 ( -28.561 -1.157 -3.355) 28.781 9.010 ( 12.662 -0.370 7.693) 14.821 9.203 ( 7.763 -0.635 4.826) 9.164 9.234 ( 9.981 -5.461 -1.172) 11.438 9.300 ( 9.664 -6.005 -1.658) 11.497 10.719 ( -9.297 -3.062 3.106) 10.269 10.894 ( -13.615 -4.652 -3.930) 14.915 11.253 ( -1.823 -0.180 0.544) 1.911 11.398 ( -2.034 2.912 -5.803) 6.804 11.673 ( -15.387 -1.446 -5.183) 16.301 11.809 ( 5.429 6.802 10.513) 13.649 11.892 ( 2.355 -4.746 -6.973) 8.758 12.059 ( 31.567 3.649 2.630) 31.886 12.202 ( 16.045 0.932 3.125) 16.373 12.276 ( 0.451 -3.804 -0.869) 3.928 13.953 ( 0.012 0.138 0.454) 0.474 14.041 ( -8.019 -5.760 -2.599) 10.210 14.904 ( -7.574 0.827 1.816) 7.832 14.926 ( -10.140 0.965 0.726) 10.211 21.295 ( 1.808 -0.916 2.891) 3.531 21.447 ( -4.405 3.301 -2.797) 6.174 21.522 ( -3.462 -2.059 -0.888) 4.125 21.549 ( -6.092 -1.462 -1.189) 6.377 21.699 ( 2.095 10.156 6.155) 12.058 21.961 ( 5.820 9.297 -3.251) 11.440 22.929 ( 13.797 -10.255 5.613) 18.084 23.258 ( 20.100 -6.308 -6.896) 22.166 24.905 ( -25.492 -2.235 2.062) 25.673 25.032 ( -25.038 -4.595 -3.355) 25.677 27.020 ( 7.955 0.332 2.519) 8.351 27.109 ( 9.937 -0.712 -1.172) 10.031 ======================= Grid point 133 (52/93) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -13.180 12.521 10.552) 21.020 1.251 ( -15.541 14.410 12.029) 24.369 1.590 ( -5.166 3.761 -10.014) 11.879 1.796 ( -3.369 5.147 -14.812) 16.039 1.929 ( 1.477 5.261 3.239) 6.352 2.022 ( -5.460 13.998 10.251) 18.189 2.104 ( -5.673 0.677 -1.301) 5.860 2.135 ( -5.683 4.658 3.557) 8.164 2.209 ( -3.132 0.586 2.708) 4.182 2.266 ( -9.601 -4.954 5.614) 12.175 2.519 ( -6.714 -0.135 -6.072) 9.053 2.601 ( -1.542 9.018 0.251) 9.152 2.655 ( 0.535 9.829 1.663) 9.983 2.866 ( -1.694 -2.565 4.733) 5.643 2.935 ( -1.373 1.676 3.861) 4.427 3.048 ( -0.831 3.769 -4.730) 6.105 3.060 ( -3.713 -3.431 -1.726) 5.342 3.090 ( -3.030 3.996 0.155) 5.017 3.144 ( -8.081 6.024 2.822) 10.467 3.325 ( -0.760 1.573 -6.943) 7.160 3.382 ( -0.766 -0.254 2.581) 2.704 3.533 ( -8.491 -1.509 2.877) 9.091 3.666 ( -2.857 3.554 -9.185) 10.255 3.724 ( 4.911 3.428 1.491) 6.172 3.933 ( -6.017 -2.288 -8.518) 10.677 3.974 ( -0.931 1.512 -3.362) 3.802 4.286 ( -10.236 -0.874 7.390) 12.655 4.482 ( -11.978 -0.642 -1.224) 12.057 4.670 ( -2.955 -3.659 -3.717) 5.995 4.829 ( -2.588 -0.609 -15.530) 15.756 5.698 ( 10.486 -1.249 12.068) 16.036 5.879 ( 5.296 -7.134 11.694) 14.687 6.378 ( 2.876 1.830 1.993) 3.949 6.560 ( -1.368 -7.038 -4.819) 8.639 6.667 ( -15.852 1.417 1.132) 15.955 6.788 ( -15.028 -3.628 -4.842) 16.200 6.981 ( -4.030 -0.097 4.960) 6.392 7.284 ( -20.235 -0.444 11.123) 23.095 7.394 ( 5.904 -2.220 -8.148) 10.304 7.588 ( -15.967 -0.928 -3.184) 16.308 7.736 ( -17.214 -2.018 -2.447) 17.503 7.752 ( -13.947 -2.367 -0.836) 14.171 9.216 ( 9.706 -0.928 4.090) 10.574 9.347 ( 7.023 -2.451 7.815) 10.789 9.483 ( 11.332 -7.663 -5.687) 14.815 9.573 ( 13.882 -5.254 -2.514) 15.054 10.599 ( -7.633 -4.411 1.280) 8.908 10.671 ( -15.121 -4.701 -1.575) 15.913 11.136 ( -20.277 0.023 -1.878) 20.364 11.222 ( -2.702 -0.499 -3.844) 4.725 11.561 ( -0.421 0.512 2.889) 2.964 11.770 ( -0.710 5.207 10.110) 11.395 11.928 ( -0.290 -3.566 -7.715) 8.504 12.151 ( -1.960 2.187 -1.730) 3.409 12.589 ( 25.154 2.162 3.260) 25.457 12.671 ( 21.952 -1.215 -0.209) 21.986 13.975 ( -0.612 -4.586 -0.688) 4.678 14.018 ( 2.605 1.044 -2.283) 3.618 14.704 ( -12.499 0.384 1.462) 12.590 14.745 ( -9.961 0.447 0.047) 9.971 21.293 ( -2.618 1.398 0.656) 3.040 21.317 ( -5.174 1.768 0.044) 5.468 21.431 ( -8.840 -4.382 1.662) 10.006 21.534 ( 0.325 -1.934 -1.829) 2.682 21.627 ( 0.518 11.233 7.795) 13.682 21.961 ( 3.103 8.264 -4.114) 9.739 23.210 ( 7.785 -10.435 5.729) 14.224 23.618 ( 13.404 -8.104 -9.484) 18.311 24.560 ( -15.358 -0.643 2.513) 15.576 24.704 ( -15.375 -0.668 -4.081) 15.922 27.130 ( 4.713 -0.755 4.402) 6.493 27.262 ( 6.519 -1.377 -1.495) 6.828 ======================= Grid point 134 (53/93) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.000 13.721 16.823) 21.709 0.962 ( 0.000 17.097 18.849) 25.448 1.485 ( 0.000 4.999 -13.664) 14.549 1.685 ( 0.000 12.502 -18.243) 22.116 1.766 ( 0.000 27.123 18.458) 32.808 1.924 ( 0.000 3.021 3.701) 4.778 2.027 ( 0.000 2.435 -2.014) 3.160 2.053 ( -0.000 -0.063 3.390) 3.391 2.181 ( 0.000 3.370 4.493) 5.616 2.207 ( -0.000 -6.855 6.392) 9.373 2.456 ( -0.000 -1.018 -5.126) 5.226 2.501 ( 0.000 8.734 5.943) 10.564 2.618 ( 0.000 3.113 -3.991) 5.061 2.828 ( 0.000 7.060 4.007) 8.118 2.850 ( 0.000 1.051 5.759) 5.854 2.936 ( 0.000 8.420 1.172) 8.501 2.980 ( 0.000 6.460 -9.111) 11.169 3.091 ( -0.000 -6.394 -5.112) 8.186 3.164 ( -0.000 -4.581 -0.981) 4.685 3.329 ( -0.000 -1.913 -7.001) 7.258 3.385 ( 0.000 0.428 4.808) 4.827 3.487 ( -0.000 -3.572 2.220) 4.206 3.629 ( 0.000 1.678 -8.663) 8.824 3.765 ( 0.000 2.735 4.948) 5.653 3.835 ( -0.000 -0.780 -13.125) 13.148 4.038 ( -0.000 -0.663 0.362) 0.756 4.143 ( 0.000 1.589 5.441) 5.668 4.378 ( -0.000 -0.341 -3.318) 3.335 4.672 ( -0.000 -3.523 -5.715) 6.714 4.810 ( 0.000 3.771 -16.966) 17.380 5.833 ( -0.000 -3.260 11.261) 11.723 6.035 ( -0.000 -12.544 14.264) 18.995 6.443 ( -0.000 -1.079 1.261) 1.659 6.499 ( 0.000 1.713 -0.540) 1.796 6.581 ( -0.000 -0.226 -2.220) 2.231 6.625 ( -0.000 -7.721 -2.463) 8.104 7.021 ( -0.000 -1.450 11.070) 11.165 7.045 ( 0.000 3.107 10.959) 11.391 7.444 ( -0.000 -1.619 -0.847) 1.827 7.539 ( -0.000 -5.147 -8.804) 10.198 7.562 ( 0.000 1.360 -6.063) 6.214 7.632 ( -0.000 -2.284 -3.288) 4.003 9.316 ( -0.000 -0.707 3.271) 3.347 9.445 ( -0.000 -3.232 8.867) 9.438 9.668 ( -0.000 -6.969 -8.475) 10.972 9.762 ( -0.000 -4.790 -5.673) 7.425 10.551 ( -0.000 -4.029 0.201) 4.034 10.565 ( -0.000 -4.260 -0.283) 4.270 10.918 ( -0.000 -0.133 6.215) 6.217 11.198 ( 0.000 0.104 -5.309) 5.310 11.560 ( 0.000 0.090 3.729) 3.730 11.726 ( 0.000 3.473 8.783) 9.445 11.953 ( -0.000 -2.657 -6.779) 7.281 12.116 ( 0.000 2.743 -0.964) 2.907 12.804 ( 0.000 2.364 2.635) 3.540 12.882 ( -0.000 -0.724 -1.198) 1.400 14.017 ( -0.000 -6.013 -1.036) 6.102 14.040 ( 0.000 3.182 -2.108) 3.817 14.574 ( 0.000 0.035 1.325) 1.325 14.637 ( 0.000 0.303 -1.236) 1.273 21.238 ( 0.000 0.087 0.433) 0.442 21.259 ( 0.000 0.383 -0.434) 0.578 21.373 ( -0.000 -0.666 6.550) 6.584 21.512 ( 0.000 9.304 8.352) 12.503 21.575 ( -0.000 -0.882 -0.549) 1.039 21.928 ( 0.000 5.253 -4.565) 6.959 23.361 ( -0.000 -9.466 5.064) 10.735 23.813 ( -0.000 -8.850 -11.522) 14.528 24.420 ( 0.000 1.161 2.130) 2.426 24.550 ( 0.000 3.616 -3.889) 5.311 27.188 ( -0.000 -2.538 6.303) 6.795 27.336 ( -0.000 -1.745 -1.261) 2.153 ======================= Grid point 139 (54/93) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -2.708 0.000 0.397) 2.737 1.768 ( -3.647 0.000 -0.882) 3.753 1.889 ( -4.548 0.000 3.808) 5.932 2.052 ( 3.756 -0.000 1.213) 3.947 2.066 ( 2.538 -0.000 -0.912) 2.697 2.139 ( -2.334 0.000 -5.795) 6.248 2.274 ( -0.019 0.000 9.051) 9.051 2.356 ( 3.511 -0.000 0.943) 3.635 2.484 ( 4.349 -0.000 -0.114) 4.350 2.550 ( 2.621 -0.000 0.937) 2.784 2.622 ( 3.268 -0.000 -1.474) 3.585 2.690 ( 2.858 -0.000 5.266) 5.991 2.746 ( -6.839 0.000 1.699) 7.047 2.817 ( -5.694 0.000 -1.075) 5.794 2.848 ( -1.921 0.000 -6.013) 6.312 3.054 ( -0.960 0.000 2.720) 2.884 3.104 ( -4.684 0.000 -8.023) 9.290 3.382 ( 2.167 -0.000 -14.207) 14.371 3.453 ( 1.289 -0.000 3.739) 3.955 3.464 ( -1.498 0.000 2.833) 3.205 3.692 ( 4.036 -0.000 0.379) 4.053 3.751 ( 0.160 -0.000 -1.045) 1.057 3.796 ( 3.606 -0.000 4.720) 5.940 3.905 ( -0.505 0.000 1.855) 1.922 4.362 ( -2.050 0.000 2.690) 3.382 4.499 ( -3.006 0.000 -2.760) 4.081 4.719 ( -4.123 0.000 2.682) 4.919 4.852 ( -9.132 0.000 -2.905) 9.583 5.421 ( -1.620 0.000 2.488) 2.969 5.531 ( -12.783 0.000 -2.894) 13.106 5.543 ( -0.758 0.000 2.810) 2.910 5.699 ( 1.889 -0.000 -1.232) 2.255 6.447 ( -8.245 0.000 0.142) 8.246 6.637 ( -8.784 0.000 -5.734) 10.490 6.701 ( 1.040 -0.000 13.614) 13.654 7.299 ( -0.784 0.000 -11.098) 11.126 8.041 ( -22.582 0.000 1.797) 22.653 8.105 ( -11.490 0.000 -1.417) 11.577 8.333 ( -20.873 0.000 0.886) 20.891 8.541 ( -25.584 0.000 -7.975) 26.798 8.568 ( -5.932 0.000 11.388) 12.841 8.897 ( -7.157 0.000 4.875) 8.659 8.904 ( 1.893 -0.000 -3.601) 4.068 8.961 ( -10.430 0.000 6.560) 12.321 9.169 ( -6.404 0.000 -6.587) 9.186 9.251 ( -19.455 0.000 -3.952) 19.853 10.290 ( 46.021 -0.000 -0.099) 46.021 10.373 ( 38.015 -0.000 -4.560) 38.288 11.243 ( -4.233 0.000 7.211) 8.362 11.376 ( -1.005 0.000 14.768) 14.802 11.477 ( -9.788 0.000 -3.700) 10.464 11.548 ( 0.014 -0.000 -0.816) 0.816 11.842 ( 0.867 -0.000 -8.619) 8.662 12.009 ( 4.008 -0.000 17.991) 18.432 12.124 ( -7.981 0.000 -17.535) 19.266 12.563 ( -1.964 0.000 -6.680) 6.963 14.216 ( -17.285 0.000 4.796) 17.938 14.406 ( -17.888 0.000 -3.050) 18.146 14.935 ( 7.324 -0.000 3.743) 8.225 15.054 ( 5.043 -0.000 -1.348) 5.220 21.152 ( 1.091 -0.000 3.731) 3.887 21.355 ( 5.058 -0.000 -5.519) 7.486 21.685 ( 1.389 -0.000 4.538) 4.746 21.765 ( 4.258 -0.000 4.544) 6.227 21.790 ( -3.319 0.000 -1.409) 3.606 21.975 ( 7.064 -0.000 -4.122) 8.178 22.266 ( 2.744 -0.000 3.529) 4.471 22.525 ( 11.834 -0.000 -6.147) 13.335 25.813 ( -27.779 0.000 0.989) 27.797 25.886 ( -27.231 0.000 -2.078) 27.310 26.653 ( 15.447 -0.000 1.594) 15.529 26.698 ( 12.786 -0.000 -0.160) 12.787 ======================= Grid point 140 (55/93) ======================= q-point: (-0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -4.741 0.589 -1.577) 5.031 1.696 ( -1.599 -0.396 -0.980) 1.917 1.810 ( -4.549 0.129 4.170) 6.173 2.018 ( -9.541 2.531 -5.600) 11.349 2.103 ( 1.744 0.662 0.092) 1.868 2.119 ( 2.146 -2.021 0.178) 2.953 2.252 ( -0.807 2.586 4.772) 5.488 2.375 ( 0.186 6.374 0.286) 6.383 2.518 ( -1.007 1.897 2.604) 3.375 2.532 ( -4.721 -0.083 0.743) 4.780 2.601 ( -3.117 -3.310 7.007) 8.353 2.658 ( 1.820 -0.657 -0.638) 2.038 2.779 ( -1.043 1.849 -0.817) 2.274 2.814 ( 3.558 -0.473 0.980) 3.721 2.846 ( 1.464 -4.292 -1.482) 4.771 3.020 ( -2.563 0.161 -4.034) 4.782 3.057 ( -1.654 -2.398 0.008) 2.913 3.404 ( -1.379 2.677 -5.577) 6.338 3.427 ( 0.754 1.117 -3.313) 3.576 3.469 ( 0.108 -0.398 0.048) 0.416 3.671 ( -5.471 4.879 -1.022) 7.402 3.710 ( -1.384 0.751 -3.002) 3.390 3.810 ( -0.049 2.496 3.951) 4.673 3.931 ( 2.437 0.922 2.401) 3.544 4.348 ( -1.419 -1.932 2.798) 3.685 4.466 ( -1.984 -2.351 -2.714) 4.102 4.554 ( -16.619 3.039 0.658) 16.908 4.584 ( -18.213 0.246 -0.367) 18.218 5.203 ( -23.063 1.527 0.455) 23.118 5.312 ( -15.868 -0.671 -3.885) 16.351 5.511 ( 1.067 1.199 8.525) 8.675 5.717 ( -0.391 -1.405 2.548) 2.936 6.355 ( -2.087 -0.641 -2.984) 3.698 6.500 ( -7.954 -3.047 -5.782) 10.295 6.725 ( 2.129 -0.063 12.175) 12.360 7.264 ( -1.860 0.739 -10.134) 10.329 7.680 ( -22.333 -0.210 0.808) 22.348 7.699 ( -30.800 -0.775 0.103) 30.810 8.042 ( -26.805 0.084 -4.468) 27.175 8.085 ( -14.272 -1.870 -5.684) 15.476 8.332 ( -20.742 -1.146 4.386) 21.232 8.625 ( -28.869 -0.235 -8.949) 30.225 8.814 ( 5.597 -0.502 12.722) 13.908 9.031 ( 7.543 -0.080 3.361) 8.258 9.064 ( 0.304 -1.460 0.388) 1.540 9.173 ( -0.459 -0.286 0.264) 0.602 10.793 ( 3.669 0.333 0.245) 3.692 10.892 ( 13.315 -0.855 -3.095) 13.696 11.304 ( 1.516 3.060 7.100) 7.879 11.341 ( 14.751 0.858 -0.297) 14.779 11.463 ( 12.967 -4.122 -0.704) 13.625 11.619 ( 12.135 1.417 1.366) 12.293 11.837 ( -1.979 1.144 -7.752) 8.082 11.968 ( -9.798 -3.106 -15.094) 18.261 12.057 ( 0.964 -0.297 14.699) 14.734 12.434 ( -11.510 0.961 0.914) 11.586 14.005 ( -6.571 -0.050 1.574) 6.757 14.123 ( -15.221 -2.049 -2.697) 15.594 14.993 ( -0.266 0.586 2.987) 3.056 15.069 ( -3.213 0.495 -0.327) 3.268 21.194 ( 2.901 -1.455 4.063) 5.200 21.431 ( 2.823 -0.844 -6.430) 7.073 21.644 ( -4.991 0.577 1.853) 5.355 21.692 ( -6.902 1.632 -0.901) 7.149 21.834 ( 5.589 3.708 5.094) 8.422 22.077 ( 8.088 6.685 -4.363) 11.364 22.448 ( 12.909 -6.516 6.874) 16.011 22.802 ( 18.391 -2.163 -7.045) 19.813 25.329 ( -28.341 -0.769 1.008) 28.369 25.399 ( -29.507 -1.885 -1.926) 29.630 26.881 ( 11.291 1.255 1.023) 11.406 26.902 ( 11.313 -1.142 0.158) 11.371 ======================= Grid point 141 (56/93) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -8.061 6.005 0.087) 10.052 1.681 ( -1.212 0.338 -3.157) 3.398 1.701 ( -6.370 5.141 4.733) 9.456 1.841 ( -6.715 -1.707 -2.870) 7.499 2.098 ( -0.886 2.954 0.806) 3.187 2.162 ( -0.216 -0.879 -1.020) 1.364 2.213 ( -1.172 1.686 3.133) 3.746 2.285 ( -3.245 6.242 -0.005) 7.035 2.374 ( -8.941 3.464 1.704) 9.739 2.451 ( -8.477 1.935 7.997) 11.814 2.631 ( -2.477 -5.591 0.387) 6.127 2.657 ( -2.499 -3.964 -0.052) 4.687 2.710 ( -1.539 2.252 -4.673) 5.411 2.885 ( 2.995 -0.207 1.782) 3.491 2.915 ( 3.416 -1.398 1.223) 3.888 2.986 ( -2.577 -1.628 -3.687) 4.784 3.069 ( 0.571 -1.259 6.453) 6.599 3.320 ( -2.417 6.515 3.182) 7.643 3.417 ( -0.411 5.363 -5.606) 7.769 3.455 ( -0.829 3.088 -2.468) 4.039 3.530 ( -4.476 5.713 -1.093) 7.339 3.664 ( -4.345 -1.412 -7.171) 8.503 3.777 ( -0.291 2.874 2.114) 3.579 3.938 ( 1.237 5.150 -3.601) 6.405 4.073 ( -27.527 4.319 3.020) 28.026 4.244 ( -18.031 1.436 -4.059) 18.537 4.346 ( -2.545 -1.456 5.469) 6.205 4.541 ( 1.780 -6.029 -3.199) 7.053 4.779 ( -23.008 -0.250 2.138) 23.109 4.975 ( -20.572 -1.152 -5.778) 21.399 5.563 ( 6.647 2.041 10.053) 12.224 5.731 ( 0.972 -1.919 5.678) 6.072 6.369 ( 2.241 0.226 -4.907) 5.400 6.436 ( -3.455 -4.814 -4.957) 7.726 6.769 ( 2.191 -0.311 10.779) 11.004 7.140 ( -29.316 0.921 1.123) 29.352 7.220 ( -8.291 0.747 -7.617) 11.284 7.342 ( -17.412 -2.987 -8.018) 19.401 7.590 ( -22.886 -2.679 6.953) 24.068 7.880 ( -13.868 0.746 -7.101) 15.598 7.967 ( -21.761 -2.500 1.661) 21.967 8.112 ( -30.094 -1.568 -4.768) 30.510 9.001 ( 12.484 -0.510 5.155) 13.517 9.111 ( 3.287 -6.238 -1.290) 7.168 9.206 ( 10.194 -0.185 4.311) 11.070 9.236 ( 8.926 -1.970 4.305) 10.104 10.684 ( -10.656 -0.975 2.566) 11.004 10.819 ( -14.341 -3.632 -2.830) 15.062 11.257 ( -2.595 0.494 1.540) 3.058 11.468 ( -2.995 4.818 -7.234) 9.193 11.628 ( -14.184 -3.504 -8.061) 16.687 11.809 ( 4.384 -4.068 -10.479) 12.066 11.911 ( 5.569 4.103 12.484) 14.272 12.110 ( 30.436 2.102 2.858) 30.642 12.186 ( 22.336 -1.324 3.420) 22.635 12.244 ( -6.050 -0.789 3.679) 7.124 13.933 ( -7.389 -2.680 -0.297) 7.865 13.993 ( 2.353 0.333 -3.191) 3.978 14.917 ( -7.745 0.682 1.884) 8.000 14.939 ( -10.868 0.542 0.737) 10.907 21.264 ( 3.027 -2.029 3.423) 5.000 21.458 ( -0.930 -1.556 -4.566) 4.912 21.515 ( -9.289 1.684 -0.117) 9.441 21.544 ( -8.270 0.337 -0.775) 8.313 21.877 ( 5.173 8.545 5.801) 11.551 22.135 ( 6.866 9.888 -3.870) 12.645 22.750 ( 12.807 -9.828 7.584) 17.836 23.156 ( 18.411 -4.981 -8.144) 20.739 24.884 ( -23.547 -0.101 1.100) 23.573 24.960 ( -23.517 -3.665 -2.104) 23.894 27.029 ( 7.421 0.657 1.947) 7.700 27.093 ( 9.456 -1.035 -0.695) 9.538 ======================= Grid point 142 (57/93) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -10.968 12.026 6.138) 17.396 1.480 ( -10.584 11.642 10.942) 19.164 1.645 ( -2.990 2.474 -6.841) 7.865 1.805 ( -1.213 -2.129 -5.003) 5.571 2.021 ( -5.196 2.507 0.743) 5.817 2.062 ( -9.148 -3.113 2.357) 9.947 2.169 ( -5.261 -1.502 1.733) 5.740 2.193 ( -1.174 5.016 1.721) 5.432 2.224 ( -2.700 5.096 0.910) 5.838 2.301 ( -3.386 5.985 8.090) 10.618 2.513 ( -8.913 -0.429 -9.336) 12.915 2.681 ( 0.591 3.758 -4.275) 5.722 2.734 ( -0.388 -11.206 4.593) 12.117 2.914 ( 0.135 9.916 3.461) 10.503 2.929 ( 2.072 -0.190 0.193) 2.089 3.003 ( 2.282 -2.174 0.376) 3.174 3.078 ( 0.223 0.819 6.488) 6.543 3.196 ( -5.832 7.448 4.344) 10.409 3.300 ( -8.556 9.196 -2.265) 12.763 3.388 ( -3.124 6.624 -1.018) 7.394 3.413 ( -1.183 3.105 -0.201) 3.329 3.527 ( -8.628 1.010 -2.131) 8.944 3.718 ( -4.833 2.166 -6.779) 8.603 3.782 ( 1.540 2.351 0.650) 2.885 3.907 ( -7.749 -0.638 -8.550) 11.557 4.016 ( 0.170 3.256 -4.868) 5.860 4.275 ( -7.926 -0.183 6.396) 10.186 4.468 ( -10.766 -0.837 -0.394) 10.806 4.604 ( -4.175 -3.946 -2.009) 6.086 4.783 ( -1.602 -4.057 -10.430) 11.305 5.706 ( 11.298 1.774 10.554) 15.562 5.792 ( 3.519 -3.112 9.164) 10.298 6.402 ( 2.070 0.755 -2.838) 3.593 6.450 ( -0.540 -4.827 -4.234) 6.444 6.691 ( -15.954 1.154 0.870) 16.020 6.742 ( -16.923 -1.124 -1.107) 16.997 6.947 ( -7.215 -4.325 4.562) 9.569 7.272 ( -13.605 -0.861 8.093) 15.853 7.333 ( 0.302 -3.315 -6.289) 7.116 7.582 ( -16.834 -0.035 -3.465) 17.187 7.688 ( -16.266 -2.847 -1.855) 16.617 7.724 ( -13.142 -1.117 -4.121) 13.818 9.163 ( 5.125 -5.459 2.232) 7.813 9.294 ( 7.238 -3.442 3.150) 8.611 9.369 ( 10.548 -4.328 -0.445) 11.410 9.503 ( 15.326 -2.759 1.276) 15.625 10.530 ( -8.348 -3.281 1.213) 9.051 10.591 ( -14.478 -4.151 -1.157) 15.106 11.140 ( -22.016 0.289 -1.518) 22.071 11.218 ( -1.855 -0.043 -3.521) 3.980 11.579 ( 1.006 1.371 0.420) 1.751 11.854 ( -1.521 0.275 -4.619) 4.870 11.867 ( -0.417 0.850 6.388) 6.457 12.143 ( -3.941 -2.625 -0.607) 4.774 12.629 ( 25.625 2.090 2.725) 25.854 12.671 ( 24.354 1.008 0.960) 24.394 13.881 ( -2.387 -4.656 2.389) 5.752 14.069 ( 6.504 3.096 -5.591) 9.118 14.711 ( -13.070 0.410 1.501) 13.163 14.752 ( -10.194 0.397 0.068) 10.202 21.308 ( -1.515 0.035 1.431) 2.084 21.342 ( -7.104 0.926 0.465) 7.179 21.367 ( -8.230 -2.503 0.477) 8.616 21.486 ( -0.462 -2.153 -2.866) 3.614 21.854 ( 2.817 12.632 6.469) 14.469 22.135 ( 3.728 11.075 -3.801) 12.288 23.021 ( 7.564 -11.089 7.464) 15.359 23.480 ( 12.007 -7.535 -9.942) 17.314 24.559 ( -13.343 0.664 2.142) 13.530 24.678 ( -12.370 -2.163 -3.064) 12.926 27.125 ( 4.050 0.041 3.253) 5.195 27.236 ( 5.711 -1.551 -1.433) 6.089 ======================= Grid point 143 (58/93) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 14.562 12.517) 19.203 1.245 ( 0.000 15.462 16.331) 22.489 1.569 ( 0.000 4.342 -9.552) 10.492 1.800 ( 0.000 1.309 -11.081) 11.158 1.969 ( 0.000 0.192 2.206) 2.214 2.010 ( -0.000 -3.679 2.395) 4.390 2.108 ( 0.000 10.671 5.668) 12.083 2.124 ( -0.000 -1.530 2.580) 2.999 2.141 ( 0.000 9.232 4.420) 10.235 2.233 ( 0.000 4.096 3.737) 5.545 2.430 ( -0.000 -1.826 -9.676) 9.847 2.650 ( 0.000 4.714 -4.971) 6.850 2.795 ( 0.000 17.559 6.489) 18.719 2.813 ( -0.000 -7.268 4.659) 8.633 2.961 ( 0.000 7.689 5.929) 9.709 2.975 ( -0.000 -3.752 -1.930) 4.219 3.075 ( 0.000 1.103 -0.547) 1.231 3.095 ( 0.000 9.294 3.112) 9.801 3.112 ( 0.000 1.051 2.745) 2.940 3.332 ( 0.000 3.022 -6.673) 7.325 3.398 ( 0.000 1.131 2.998) 3.205 3.447 ( 0.000 0.150 -0.630) 0.648 3.664 ( 0.000 2.300 -9.399) 9.677 3.812 ( 0.000 1.792 3.165) 3.637 3.815 ( -0.000 -1.617 -12.474) 12.578 4.041 ( 0.000 1.612 -2.263) 2.778 4.169 ( 0.000 1.355 4.824) 5.011 4.371 ( -0.000 -0.455 -2.447) 2.489 4.600 ( -0.000 -4.495 -2.319) 5.058 4.826 ( -0.000 -1.821 -15.156) 15.265 5.826 ( 0.000 1.527 10.780) 10.888 5.874 ( -0.000 -5.870 12.515) 13.824 6.425 ( -0.000 -0.895 2.679) 2.824 6.493 ( -0.000 -7.039 -2.852) 7.595 6.533 ( 0.000 2.085 -1.247) 2.429 6.544 ( -0.000 -3.047 -8.475) 9.006 6.972 ( -0.000 -4.398 11.516) 12.327 7.101 ( 0.000 3.071 9.896) 10.361 7.421 ( -0.000 -7.276 -7.481) 10.436 7.422 ( -0.000 -0.830 -0.594) 1.021 7.559 ( -0.000 -2.327 -3.756) 4.418 7.609 ( 0.000 0.300 -5.838) 5.846 9.269 ( -0.000 -5.865 2.211) 6.268 9.380 ( -0.000 -3.250 8.910) 9.484 9.542 ( -0.000 -7.035 -7.673) 10.410 9.689 ( -0.000 -3.127 -2.788) 4.190 10.478 ( -0.000 -4.109 0.165) 4.112 10.487 ( -0.000 -4.434 -0.149) 4.436 10.915 ( -0.000 -0.115 6.258) 6.259 11.200 ( 0.000 0.090 -5.399) 5.400 11.575 ( 0.000 1.613 1.611) 2.280 11.799 ( 0.000 4.533 7.455) 8.726 11.895 ( -0.000 -3.675 -5.905) 6.955 12.129 ( -0.000 -1.405 -1.818) 2.298 12.848 ( 0.000 2.395 2.234) 3.275 12.885 ( 0.000 1.296 0.402) 1.357 13.911 ( -0.000 -5.507 2.884) 6.216 14.107 ( 0.000 3.998 -5.416) 6.732 14.574 ( 0.000 0.048 1.421) 1.422 14.642 ( 0.000 0.306 -1.332) 1.366 21.239 ( 0.000 0.104 0.535) 0.545 21.266 ( 0.000 0.366 -0.534) 0.647 21.350 ( -0.000 -1.262 4.299) 4.481 21.509 ( -0.000 -3.395 -2.477) 4.202 21.758 ( 0.000 14.529 7.299) 16.259 22.072 ( 0.000 10.585 -3.982) 11.309 23.183 ( -0.000 -11.019 6.532) 12.810 23.659 ( -0.000 -8.757 -11.199) 14.216 24.435 ( 0.000 0.967 2.840) 3.000 24.579 ( 0.000 0.013 -3.620) 3.620 27.163 ( -0.000 -0.659 4.452) 4.501 27.303 ( -0.000 -2.011 -1.670) 2.614 ======================= Grid point 150 (59/93) ======================= q-point: (-0.60 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -4.120 0.000 -0.696) 4.178 1.683 ( -0.347 0.000 -2.526) 2.550 1.755 ( -2.212 0.000 2.486) 3.328 1.819 ( -12.485 0.000 -1.660) 12.595 2.127 ( -0.130 0.000 0.726) 0.738 2.143 ( 0.843 -0.000 0.308) 0.897 2.231 ( -4.739 0.000 6.764) 8.259 2.362 ( -10.699 0.000 1.705) 10.834 2.419 ( -3.306 0.000 -0.649) 3.369 2.476 ( -0.914 0.000 2.539) 2.699 2.516 ( -7.568 0.000 11.286) 13.589 2.647 ( -4.333 0.000 -6.576) 7.875 2.731 ( -1.022 0.000 -5.223) 5.322 2.892 ( 4.579 -0.000 2.192) 5.076 2.899 ( 4.160 -0.000 2.592) 4.902 2.958 ( -2.800 0.000 -7.906) 8.388 3.054 ( 1.294 -0.000 7.131) 7.247 3.371 ( -2.821 0.000 5.011) 5.750 3.465 ( -0.245 0.000 0.256) 0.354 3.489 ( 3.323 -0.000 -14.882) 15.249 3.608 ( -3.717 0.000 -1.835) 4.145 3.642 ( -5.825 0.000 -3.339) 6.714 3.800 ( -2.025 0.000 4.392) 4.837 3.983 ( 2.579 -0.000 -0.799) 2.700 4.115 ( -29.172 0.000 2.114) 29.248 4.256 ( -19.367 0.000 -3.835) 19.743 4.348 ( 0.479 -0.000 2.580) 2.624 4.470 ( 1.270 -0.000 -2.128) 2.478 4.777 ( -23.467 0.000 2.943) 23.651 4.965 ( -21.751 0.000 -4.708) 22.255 5.587 ( 6.954 -0.000 8.701) 11.138 5.712 ( 0.877 -0.000 5.521) 5.590 6.373 ( 3.279 -0.000 -6.600) 7.370 6.391 ( -3.179 0.000 -4.260) 5.315 6.768 ( 2.700 -0.000 11.396) 11.712 7.149 ( -29.150 0.000 1.007) 29.168 7.225 ( -8.843 0.000 -7.098) 11.340 7.310 ( -20.491 0.000 -8.356) 22.129 7.568 ( -20.928 0.000 7.712) 22.304 7.889 ( -12.942 0.000 -7.615) 15.016 7.944 ( -21.867 0.000 1.340) 21.908 8.096 ( -30.867 0.000 -5.285) 31.316 8.999 ( 14.220 -0.000 3.165) 14.568 9.049 ( -0.382 0.000 -0.696) 0.794 9.203 ( 13.158 -0.000 4.821) 14.013 9.221 ( 5.565 -0.000 5.855) 8.078 10.678 ( -11.426 0.000 2.175) 11.631 10.784 ( -14.447 0.000 -2.024) 14.588 11.263 ( -3.222 0.000 2.112) 3.852 11.541 ( 5.426 -0.000 -3.569) 6.494 11.568 ( -22.365 0.000 -14.030) 26.402 11.768 ( 4.954 -0.000 -10.613) 11.712 11.947 ( 7.399 -0.000 11.352) 13.551 12.123 ( 25.639 -0.000 2.690) 25.780 12.187 ( 25.577 -0.000 4.174) 25.915 12.231 ( -6.319 0.000 5.811) 8.584 13.906 ( -8.640 0.000 0.258) 8.644 14.001 ( 4.592 -0.000 -4.162) 6.198 14.924 ( -7.722 0.000 1.892) 7.951 14.944 ( -11.239 0.000 0.778) 11.266 21.244 ( 3.307 -0.000 3.633) 4.913 21.442 ( -1.361 0.000 -4.181) 4.396 21.534 ( -7.550 0.000 -0.716) 7.584 21.547 ( -10.661 0.000 -0.709) 10.685 21.956 ( 6.054 -0.000 5.691) 8.309 22.243 ( 7.045 -0.000 -6.038) 9.278 22.643 ( 12.663 -0.000 10.282) 16.312 23.108 ( 17.741 -0.000 -8.726) 19.770 24.894 ( -21.265 0.000 -0.042) 21.266 24.916 ( -24.538 0.000 -0.923) 24.556 27.037 ( 6.981 -0.000 1.547) 7.150 27.081 ( 9.537 -0.000 -0.323) 9.543 ======================= Grid point 152 (60/93) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -7.024 8.650 2.575) 11.437 1.613 ( -5.933 1.404 3.155) 6.865 1.687 ( -2.366 3.456 -1.116) 4.335 1.752 ( -0.877 -3.264 -0.219) 3.387 1.960 ( -20.520 -3.825 8.380) 22.492 2.087 ( -2.976 2.028 0.326) 3.616 2.141 ( -2.918 -1.302 0.507) 3.235 2.252 ( -1.577 2.331 3.729) 4.672 2.328 ( -2.739 4.153 -0.073) 4.975 2.388 ( -2.441 4.839 6.411) 8.395 2.498 ( -8.350 -2.206 -9.823) 13.080 2.549 ( -1.791 -7.697 3.905) 8.815 2.736 ( 1.246 1.824 -4.279) 4.816 2.901 ( -1.383 -1.169 -8.287) 8.483 2.971 ( 3.349 -0.744 2.496) 4.243 3.004 ( 6.306 1.167 5.653) 8.549 3.081 ( 1.422 -0.248 8.727) 8.845 3.286 ( -6.376 2.320 5.607) 8.802 3.434 ( -13.480 3.772 2.864) 14.288 3.454 ( -0.327 2.828 -2.890) 4.057 3.533 ( -1.383 2.323 -9.282) 9.668 3.560 ( 0.598 5.994 -1.642) 6.244 3.741 ( -6.575 0.676 -1.722) 6.831 3.792 ( -1.961 -0.874 2.430) 3.242 3.902 ( -12.868 -0.211 -8.048) 15.179 4.066 ( 1.884 1.813 -6.988) 7.461 4.286 ( -7.774 1.086 4.162) 8.885 4.460 ( -7.423 0.137 -1.636) 7.602 4.541 ( -4.073 -2.838 0.901) 5.045 4.716 ( -3.722 -2.681 -6.089) 7.623 5.737 ( 6.333 1.132 8.595) 10.736 5.763 ( 8.930 -0.558 7.287) 11.539 6.375 ( -0.196 -1.786 -2.829) 3.352 6.432 ( 3.095 0.544 -7.011) 7.683 6.723 ( -21.282 3.126 1.412) 21.557 6.742 ( -18.217 0.414 -0.504) 18.228 6.845 ( -5.347 -6.232 7.527) 11.139 7.253 ( -3.348 -0.939 -1.529) 3.799 7.305 ( -8.904 -0.301 1.644) 9.059 7.583 ( -16.582 0.073 -2.052) 16.708 7.649 ( -19.083 -1.386 -1.963) 19.234 7.712 ( -9.700 -0.300 -6.308) 11.575 9.072 ( 1.424 -3.439 1.278) 3.935 9.241 ( 11.161 -2.022 -5.605) 12.652 9.331 ( 6.427 -0.708 8.065) 10.337 9.474 ( 16.416 -0.752 3.385) 16.778 10.491 ( -9.392 -1.106 1.110) 9.522 10.538 ( -13.619 -1.750 -0.615) 13.745 11.144 ( -23.113 0.140 -1.456) 23.159 11.218 ( -1.864 0.052 -3.430) 3.904 11.600 ( 2.223 0.847 -1.866) 3.023 11.809 ( 0.534 -1.713 -9.040) 9.216 11.931 ( -2.287 2.613 9.363) 9.986 12.090 ( -4.648 -2.484 1.775) 5.561 12.653 ( 24.916 0.670 2.785) 25.080 12.691 ( 25.751 0.864 0.759) 25.777 13.826 ( -1.980 -1.621 4.496) 5.173 14.109 ( 7.132 1.279 -7.242) 10.244 14.717 ( -13.520 0.183 1.512) 13.605 14.757 ( -10.310 0.156 0.123) 10.312 21.296 ( 1.831 -0.829 2.730) 3.390 21.336 ( -9.072 -0.520 0.403) 9.095 21.361 ( -9.260 0.391 -0.528) 9.283 21.467 ( -0.983 -0.324 -3.660) 3.804 22.020 ( 3.696 5.456 5.801) 8.779 22.307 ( 4.019 6.994 -5.492) 9.759 22.852 ( 7.512 -6.801 10.530) 14.614 23.378 ( 11.206 -3.459 -10.347) 15.640 24.582 ( -12.449 1.748 0.744) 12.594 24.636 ( -10.905 -2.323 -1.594) 11.263 27.128 ( 3.722 0.195 2.469) 4.471 27.214 ( 5.375 -0.775 -1.112) 5.543 ======================= Grid point 153 (61/93) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.000 13.643 8.677) 16.169 1.483 ( 0.000 11.588 11.897) 16.608 1.619 ( 0.000 0.471 -4.496) 4.521 1.778 ( -0.000 -3.033 -3.335) 4.508 1.851 ( -0.000 -8.252 6.524) 10.519 2.033 ( 0.000 2.435 0.397) 2.467 2.112 ( -0.000 -0.731 0.051) 0.733 2.218 ( 0.000 2.890 3.088) 4.229 2.264 ( 0.000 6.922 0.068) 6.922 2.338 ( 0.000 5.291 7.712) 9.352 2.399 ( -0.000 -1.480 -13.657) 13.737 2.631 ( -0.000 -11.312 4.948) 12.347 2.722 ( 0.000 3.743 -4.574) 5.911 2.911 ( -0.000 -2.792 -5.711) 6.357 3.003 ( 0.000 2.333 2.671) 3.546 3.073 ( 0.000 4.859 8.418) 9.719 3.081 ( 0.000 1.591 6.868) 7.049 3.169 ( 0.000 2.983 2.983) 4.219 3.228 ( 0.000 5.234 5.512) 7.601 3.430 ( 0.000 2.655 -1.037) 2.851 3.468 ( 0.000 11.543 -4.475) 12.380 3.503 ( 0.000 5.860 -3.256) 6.704 3.695 ( 0.000 0.900 -5.833) 5.902 3.781 ( -0.000 -2.114 -11.732) 11.921 3.813 ( -0.000 -1.554 3.023) 3.399 4.089 ( 0.000 2.983 -8.419) 8.932 4.187 ( 0.000 0.719 4.359) 4.418 4.364 ( -0.000 -0.359 -1.803) 1.839 4.532 ( -0.000 -2.612 1.047) 2.814 4.763 ( -0.000 -4.658 -9.927) 10.965 5.786 ( -0.000 -2.616 11.183) 11.485 5.901 ( 0.000 4.287 5.866) 7.265 6.398 ( -0.000 -3.593 -2.386) 4.313 6.414 ( -0.000 -0.446 3.717) 3.744 6.496 ( -0.000 -2.256 -8.066) 8.376 6.566 ( 0.000 1.500 -1.941) 2.453 6.881 ( -0.000 -5.265 10.762) 11.981 7.144 ( 0.000 1.811 9.089) 9.268 7.315 ( -0.000 -4.499 -8.619) 9.722 7.420 ( 0.000 0.649 -1.131) 1.303 7.507 ( -0.000 -3.151 -1.956) 3.709 7.621 ( 0.000 0.618 -6.952) 6.979 9.137 ( -0.000 -7.243 2.060) 7.530 9.349 ( -0.000 -0.892 2.081) 2.264 9.433 ( -0.000 -5.044 -1.077) 5.157 9.656 ( -0.000 -0.932 -0.605) 1.112 10.418 ( -0.000 -2.576 0.093) 2.578 10.422 ( -0.000 -2.833 -0.022) 2.833 10.914 ( -0.000 -0.066 6.298) 6.299 11.201 ( 0.000 0.048 -5.461) 5.461 11.607 ( 0.000 1.773 -0.634) 1.883 11.831 ( -0.000 -2.433 -8.997) 9.320 11.880 ( 0.000 3.525 8.760) 9.443 12.080 ( -0.000 -3.586 -0.228) 3.593 12.876 ( 0.000 1.002 2.336) 2.542 12.919 ( 0.000 1.990 0.063) 1.991 13.837 ( -0.000 -2.859 6.327) 6.943 14.167 ( 0.000 2.586 -7.215) 7.665 14.575 ( 0.000 0.035 1.497) 1.497 14.647 ( 0.000 0.191 -1.406) 1.419 21.241 ( 0.000 0.069 0.610) 0.614 21.271 ( 0.000 0.221 -0.608) 0.647 21.326 ( -0.000 -1.425 2.816) 3.156 21.467 ( -0.000 -1.293 -2.803) 3.087 21.982 ( 0.000 10.280 6.038) 11.922 22.264 ( 0.000 10.501 -4.484) 11.418 22.993 ( -0.000 -10.113 9.224) 13.687 23.522 ( -0.000 -6.464 -11.144) 12.883 24.460 ( 0.000 1.863 1.859) 2.632 24.561 ( -0.000 -1.744 -2.553) 3.092 27.159 ( 0.000 0.041 3.180) 3.181 27.271 ( -0.000 -1.503 -1.513) 2.133 ======================= Grid point 163 (62/93) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 0.000 2.927) 2.927 1.565 ( -0.000 -0.000 4.786) 4.786 1.610 ( 0.000 0.000 8.676) 8.676 1.728 ( 0.000 0.000 0.353) 0.353 1.772 ( 0.000 0.000 4.574) 4.574 2.060 ( 0.000 0.000 -0.599) 0.599 2.100 ( 0.000 0.000 0.272) 0.272 2.249 ( 0.000 0.000 4.828) 4.828 2.333 ( 0.000 0.000 0.484) 0.484 2.386 ( 0.000 0.000 -15.378) 15.378 2.401 ( 0.000 0.000 6.564) 6.564 2.495 ( 0.000 0.000 4.809) 4.809 2.759 ( -0.000 -0.000 -4.192) 4.192 2.878 ( 0.000 0.000 -9.549) 9.549 3.007 ( 0.000 0.000 4.921) 4.921 3.100 ( 0.000 0.000 8.613) 8.613 3.117 ( 0.000 0.000 9.913) 9.913 3.193 ( 0.000 0.000 1.048) 1.048 3.270 ( 0.000 0.000 6.352) 6.352 3.463 ( 0.000 0.000 -3.133) 3.133 3.545 ( 0.000 0.000 -9.833) 9.833 3.637 ( -0.000 -0.000 0.255) 0.255 3.698 ( -0.000 -0.000 -0.722) 0.722 3.758 ( 0.000 0.000 -11.429) 11.429 3.779 ( 0.000 0.000 1.624) 1.624 4.115 ( 0.000 0.000 -11.699) 11.699 4.194 ( 0.000 0.000 4.188) 4.188 4.360 ( 0.000 0.000 -1.575) 1.575 4.516 ( 0.000 0.000 2.114) 2.114 4.709 ( 0.000 0.000 -6.686) 6.686 5.765 ( 0.000 0.000 9.767) 9.767 5.946 ( 0.000 0.000 3.466) 3.466 6.370 ( 0.000 0.000 -1.664) 1.664 6.410 ( 0.000 0.000 4.088) 4.088 6.474 ( 0.000 0.000 -6.902) 6.902 6.579 ( 0.000 0.000 -2.238) 2.238 6.827 ( 0.000 0.000 10.707) 10.707 7.160 ( 0.000 0.000 8.790) 8.790 7.275 ( 0.000 0.000 -9.325) 9.325 7.436 ( 0.000 0.000 -2.594) 2.594 7.469 ( -0.000 -0.000 -0.255) 0.255 7.626 ( 0.000 0.000 -7.090) 7.090 9.068 ( 0.000 0.000 2.043) 2.043 9.340 ( 0.000 0.000 -9.606) 9.606 9.387 ( 0.000 0.000 10.415) 10.415 9.649 ( 0.000 0.000 0.075) 0.075 10.396 ( 0.000 0.000 0.047) 0.047 10.396 ( -0.000 -0.000 0.039) 0.039 10.913 ( 0.000 0.000 6.314) 6.314 11.201 ( 0.000 0.000 -5.483) 5.483 11.625 ( 0.000 0.000 -1.672) 1.672 11.806 ( 0.000 0.000 -8.522) 8.522 11.921 ( 0.000 0.000 6.959) 6.959 12.038 ( 0.000 0.000 1.228) 1.228 12.885 ( 0.000 0.000 2.455) 2.455 12.938 ( 0.000 0.000 -0.322) 0.322 13.812 ( 0.000 0.000 7.719) 7.719 14.190 ( 0.000 0.000 -7.802) 7.802 14.575 ( 0.000 0.000 1.525) 1.525 14.648 ( 0.000 0.000 -1.434) 1.434 21.241 ( 0.000 0.000 0.638) 0.638 21.273 ( 0.000 0.000 -0.635) 0.635 21.312 ( 0.000 0.000 2.654) 2.654 21.458 ( 0.000 0.000 -3.178) 3.178 22.078 ( 0.000 0.000 5.703) 5.703 22.374 ( 0.000 0.000 -6.353) 6.353 22.887 ( 0.000 0.000 11.911) 11.911 23.461 ( 0.000 0.000 -11.229) 11.229 24.485 ( 0.000 0.000 0.778) 0.778 24.537 ( -0.000 -0.000 -1.502) 1.502 27.160 ( 0.000 0.000 2.675) 2.675 27.257 ( 0.000 0.000 -1.330) 1.330 ======================= Grid point 210 (63/93) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.000 0.000 -25.192) 25.192 0.879 ( 0.000 0.000 25.192) 25.192 0.985 ( 0.000 0.000 -22.657) 22.657 0.985 ( 0.000 0.000 22.657) 22.657 1.877 ( 0.000 0.000 -28.960) 28.960 1.877 ( 0.000 0.000 28.960) 28.960 1.925 ( 0.000 0.000 -1.778) 1.778 1.925 ( 0.000 0.000 1.778) 1.778 2.280 ( 0.000 0.000 -18.025) 18.025 2.280 ( 0.000 0.000 18.025) 18.025 2.445 ( 0.000 0.000 -2.240) 2.240 2.445 ( 0.000 0.000 2.240) 2.240 2.644 ( 0.000 0.000 -7.529) 7.529 2.644 ( 0.000 0.000 7.529) 7.529 2.739 ( 0.000 0.000 -2.059) 2.059 2.739 ( 0.000 0.000 2.059) 2.059 2.926 ( 0.000 0.000 -4.732) 4.732 2.926 ( 0.000 0.000 4.732) 4.732 3.292 ( 0.000 0.000 -2.914) 2.914 3.292 ( 0.000 0.000 2.914) 2.914 3.549 ( 0.000 0.000 -0.126) 0.126 3.549 ( 0.000 0.000 0.126) 0.126 3.564 ( 0.000 0.000 -13.467) 13.467 3.564 ( 0.000 0.000 13.467) 13.467 3.929 ( 0.000 0.000 -7.577) 7.577 3.929 ( 0.000 0.000 7.577) 7.577 4.256 ( 0.000 0.000 -8.105) 8.105 4.256 ( 0.000 0.000 8.105) 8.105 4.663 ( 0.000 0.000 -7.318) 7.318 4.663 ( 0.000 0.000 7.318) 7.318 6.305 ( 0.000 0.000 -8.411) 8.411 6.305 ( 0.000 0.000 8.411) 8.411 6.467 ( 0.000 0.000 -0.187) 0.187 6.467 ( 0.000 0.000 0.187) 0.187 6.714 ( 0.000 0.000 -9.549) 9.549 6.714 ( 0.000 0.000 9.549) 9.549 7.174 ( 0.000 0.000 -2.612) 2.612 7.174 ( 0.000 0.000 2.612) 2.612 7.255 ( 0.000 0.000 -14.546) 14.546 7.255 ( 0.000 0.000 14.546) 14.546 7.592 ( 0.000 0.000 -5.179) 5.179 7.592 ( 0.000 0.000 5.179) 5.179 9.521 ( 0.000 0.000 -4.664) 4.664 9.521 ( 0.000 0.000 4.664) 4.664 9.725 ( 0.000 0.000 -1.189) 1.189 9.725 ( 0.000 0.000 1.189) 1.189 10.638 ( 0.000 0.000 -0.532) 0.532 10.638 ( 0.000 0.000 0.532) 0.532 11.064 ( 0.000 0.000 -7.846) 7.846 11.064 ( 0.000 0.000 7.846) 7.846 11.734 ( 0.000 0.000 -10.358) 10.358 11.734 ( 0.000 0.000 10.358) 10.358 11.925 ( 0.000 0.000 -10.530) 10.530 11.925 ( 0.000 0.000 10.530) 10.530 12.823 ( 0.000 0.000 -4.128) 4.128 12.823 ( 0.000 0.000 4.128) 4.128 14.084 ( 0.000 0.000 -2.706) 2.706 14.084 ( 0.000 0.000 2.706) 2.706 14.602 ( 0.000 0.000 -1.649) 1.649 14.602 ( 0.000 0.000 1.649) 1.649 21.244 ( 0.000 0.000 -0.422) 0.422 21.244 ( 0.000 0.000 0.422) 0.422 21.398 ( 0.000 0.000 -9.851) 9.851 21.398 ( 0.000 0.000 9.851) 9.851 21.792 ( 0.000 0.000 -8.446) 8.446 21.792 ( 0.000 0.000 8.446) 8.446 23.802 ( 0.000 0.000 -9.842) 9.842 23.802 ( 0.000 0.000 9.842) 9.842 24.333 ( 0.000 0.000 -3.197) 3.197 24.333 ( 0.000 0.000 3.197) 3.197 27.370 ( 0.000 0.000 -0.192) 0.192 27.370 ( 0.000 0.000 0.192) 0.192 ======================= Grid point 212 (64/93) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 10.356 -7.799 -22.316) 25.809 1.013 ( 10.356 -7.799 22.316) 25.809 1.165 ( 15.118 -2.331 -17.888) 23.537 1.165 ( 15.118 -2.331 17.888) 23.537 1.947 ( 4.902 -1.234 -5.832) 7.718 1.947 ( 4.902 -1.234 5.832) 7.718 2.038 ( 11.421 -2.792 -9.506) 15.120 2.038 ( 11.421 -2.792 9.506) 15.120 2.323 ( 4.762 -1.409 -20.306) 20.905 2.323 ( 4.762 -1.409 20.306) 20.905 2.478 ( 2.143 0.287 -4.244) 4.762 2.478 ( 2.143 0.287 4.244) 4.762 2.652 ( 3.242 3.742 -3.192) 5.891 2.652 ( 3.242 3.742 3.192) 5.891 2.811 ( 6.452 -4.058 -2.342) 7.974 2.811 ( 6.452 -4.058 2.342) 7.974 2.950 ( 1.196 -2.004 -4.922) 5.447 2.950 ( 1.196 -2.004 4.922) 5.447 3.253 ( -2.135 1.144 -2.975) 3.836 3.253 ( -2.135 1.144 2.975) 3.836 3.505 ( -2.198 0.494 -2.616) 3.452 3.505 ( -2.198 0.494 2.616) 3.452 3.677 ( 9.659 -0.608 -12.075) 15.475 3.677 ( 9.659 -0.608 12.075) 15.475 3.910 ( -0.024 1.322 -7.398) 7.515 3.910 ( -0.024 1.322 7.398) 7.515 4.428 ( 16.527 0.015 -3.419) 16.877 4.428 ( 16.527 0.015 3.419) 16.877 4.664 ( 0.967 0.265 -6.083) 6.166 4.664 ( 0.967 0.265 6.083) 6.166 6.126 ( -12.316 5.985 -9.113) 16.449 6.126 ( -12.316 5.985 9.113) 16.449 6.533 ( 0.645 -0.657 -8.524) 8.573 6.533 ( 0.645 -0.657 8.524) 8.573 6.718 ( 8.795 -0.965 -2.458) 9.183 6.718 ( 8.795 -0.965 2.458) 9.183 7.123 ( -3.067 -1.577 -4.268) 5.487 7.123 ( -3.067 -1.577 4.268) 5.487 7.518 ( 23.030 -0.483 -12.335) 26.129 7.518 ( 23.030 -0.483 12.335) 26.129 7.774 ( 17.620 0.375 -4.870) 18.285 7.774 ( 17.620 0.375 4.870) 18.285 9.398 ( -11.275 1.510 -6.722) 13.213 9.398 ( -11.275 1.510 6.722) 13.213 9.610 ( -11.392 1.038 -2.676) 11.748 9.610 ( -11.392 1.038 2.676) 11.748 10.752 ( 11.715 1.387 -2.110) 11.984 10.752 ( 11.715 1.387 2.110) 11.984 11.147 ( 8.905 0.055 -3.779) 9.674 11.147 ( 8.905 0.055 3.779) 9.674 11.714 ( -1.996 0.312 -8.817) 9.046 11.714 ( -1.996 0.312 8.817) 9.046 11.916 ( -1.646 -2.115 -9.101) 9.487 11.916 ( -1.646 -2.115 9.101) 9.487 12.638 ( -19.505 0.019 -5.410) 20.241 12.638 ( -19.505 0.019 5.410) 20.241 14.088 ( 2.379 2.114 -3.568) 4.781 14.088 ( 2.379 2.114 3.568) 4.781 14.724 ( 11.331 -0.089 -1.209) 11.396 14.724 ( 11.331 -0.089 1.209) 11.396 21.265 ( 1.578 -0.544 -0.287) 1.694 21.265 ( 1.578 -0.544 0.287) 1.694 21.426 ( 1.355 -2.641 -9.219) 9.685 21.426 ( 1.355 -2.641 9.219) 9.685 21.783 ( 0.191 2.713 -5.831) 6.435 21.783 ( 0.191 2.713 5.831) 6.435 23.669 ( -12.676 4.411 -9.062) 16.194 23.669 ( -12.676 4.411 9.062) 16.194 24.582 ( 24.657 -1.660 -2.289) 24.818 24.582 ( 24.657 -1.660 2.289) 24.818 27.268 ( -9.666 0.992 -1.730) 9.869 27.268 ( -9.666 0.992 1.730) 9.869 ======================= Grid point 214 (65/93) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 14.520 -9.829 -17.418) 24.715 1.313 ( 14.520 -9.829 17.418) 24.715 1.428 ( 12.541 -2.695 -11.204) 17.031 1.428 ( 12.541 -2.695 11.204) 17.031 2.001 ( 1.506 1.052 -4.338) 4.711 2.001 ( 1.506 1.052 4.338) 4.711 2.239 ( 6.449 0.111 -0.755) 6.494 2.239 ( 6.449 0.111 0.755) 6.494 2.459 ( 3.715 -0.396 -8.822) 9.580 2.459 ( 3.715 -0.396 8.822) 9.580 2.519 ( 5.492 -3.207 -14.889) 16.190 2.519 ( 5.492 -3.207 14.889) 16.190 2.717 ( 7.829 -0.490 -6.700) 10.317 2.717 ( 7.829 -0.490 6.700) 10.317 2.919 ( 0.305 -1.650 -2.528) 3.034 2.919 ( 0.305 -1.650 2.528) 3.034 3.052 ( 8.358 -5.885 -4.252) 11.071 3.052 ( 8.358 -5.885 4.252) 11.071 3.242 ( 2.368 1.325 -4.280) 5.067 3.242 ( 2.368 1.325 4.280) 5.067 3.464 ( -2.507 -0.542 -2.226) 3.396 3.464 ( -2.507 -0.542 2.226) 3.396 3.788 ( 1.301 2.692 -8.950) 9.436 3.788 ( 1.301 2.692 8.950) 9.436 4.032 ( 16.526 -0.751 -8.604) 18.647 4.032 ( 16.526 -0.751 8.604) 18.647 4.618 ( 3.473 1.611 -7.608) 8.517 4.618 ( 3.473 1.611 7.608) 8.517 4.814 ( 18.059 -0.663 -3.788) 18.463 4.814 ( 18.059 -0.663 3.788) 18.463 5.896 ( -7.879 4.588 -11.644) 14.789 5.896 ( -7.879 4.588 11.644) 14.789 6.556 ( 3.477 0.855 -13.334) 13.807 6.556 ( 3.477 0.855 13.334) 13.807 6.877 ( 1.842 -2.926 -4.404) 5.599 6.877 ( 1.842 -2.926 4.404) 5.599 7.245 ( 20.318 -0.005 -6.494) 21.331 7.245 ( 20.318 -0.005 6.494) 21.331 7.921 ( 23.463 3.225 -4.275) 24.066 7.921 ( 23.463 3.225 4.275) 24.066 8.115 ( 21.876 -0.487 -0.491) 21.887 8.115 ( 21.876 -0.487 0.491) 21.887 9.182 ( -11.728 0.515 -7.485) 13.922 9.182 ( -11.728 0.515 7.485) 13.922 9.380 ( -12.508 2.128 -4.166) 13.354 9.380 ( -12.508 2.128 4.166) 13.354 10.935 ( 9.563 2.701 -5.314) 11.269 10.935 ( 9.563 2.701 5.314) 11.269 11.299 ( 6.243 1.138 -2.921) 6.986 11.299 ( 6.243 1.138 2.921) 6.986 11.666 ( -5.151 -3.641 -5.166) 8.153 11.666 ( -5.151 -3.641 5.166) 8.153 11.911 ( -1.013 -1.697 -9.388) 9.594 11.911 ( -1.013 -1.697 9.388) 9.594 12.270 ( -18.311 1.126 -8.967) 20.420 12.270 ( -18.311 1.126 8.967) 20.420 14.146 ( 7.804 4.245 -5.346) 10.368 14.146 ( 7.804 4.245 5.346) 10.368 14.904 ( 8.036 -0.429 -0.285) 8.053 14.904 ( 8.036 -0.429 0.285) 8.053 21.292 ( -0.048 -2.197 -1.626) 2.733 21.292 ( -0.048 -2.197 1.626) 2.733 21.477 ( 1.338 -3.933 -8.730) 9.668 21.477 ( 1.338 -3.933 8.730) 9.668 21.751 ( -0.822 3.152 -2.265) 3.967 21.751 ( -0.822 3.152 2.265) 3.967 23.334 ( -20.557 4.774 -6.108) 21.970 23.334 ( -20.557 4.774 6.108) 21.970 25.073 ( 30.773 2.314 -6.284) 31.493 25.073 ( 30.773 2.314 6.284) 31.493 27.077 ( -11.447 0.055 -2.215) 11.660 27.077 ( -11.447 0.055 2.215) 11.660 ======================= Grid point 216 (66/93) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 11.574 -3.391 -9.312) 15.237 1.629 ( 11.574 -3.391 9.312) 15.237 1.652 ( 11.794 -7.014 -6.734) 15.285 1.652 ( 11.794 -7.014 6.734) 15.285 2.004 ( 0.608 1.084 -4.269) 4.446 2.004 ( 0.608 1.084 4.269) 4.446 2.273 ( 0.992 3.466 -2.293) 4.272 2.273 ( 0.992 3.466 2.293) 4.272 2.478 ( -0.626 -1.966 -4.511) 4.961 2.478 ( -0.626 -1.966 4.511) 4.961 2.581 ( 0.642 0.507 -6.287) 6.340 2.581 ( 0.642 0.507 6.287) 6.340 2.822 ( -1.680 -0.619 -1.796) 2.536 2.822 ( -1.680 -0.619 1.796) 2.536 3.021 ( 8.950 -5.565 -9.855) 14.429 3.021 ( 8.950 -5.565 9.855) 14.429 3.206 ( 4.834 0.915 -6.860) 8.442 3.206 ( 4.834 0.915 6.860) 8.442 3.329 ( 7.440 -3.540 -2.118) 8.507 3.329 ( 7.440 -3.540 2.118) 8.507 3.447 ( -0.617 -3.277 -3.640) 4.936 3.447 ( -0.617 -3.277 3.640) 4.936 3.760 ( 0.201 4.162 -8.402) 9.379 3.760 ( 0.201 4.162 8.402) 9.379 4.338 ( 14.408 -3.230 -5.816) 15.870 4.338 ( 14.408 -3.230 5.816) 15.870 4.646 ( 2.738 2.701 -6.461) 7.519 4.646 ( 2.738 2.701 6.461) 7.519 5.126 ( 15.672 -1.173 -4.602) 16.376 5.126 ( 15.672 -1.173 4.602) 16.376 5.780 ( -2.912 2.206 -10.551) 11.165 5.780 ( -2.912 2.206 10.551) 11.165 6.638 ( 8.128 3.786 -13.852) 16.501 6.638 ( 8.128 3.786 13.852) 16.501 6.878 ( -2.935 -3.542 -7.855) 9.103 6.878 ( -2.935 -3.542 7.855) 9.103 7.727 ( 33.065 0.395 -2.573) 33.168 7.727 ( 33.065 0.395 2.573) 33.168 8.233 ( 17.768 5.368 -4.055) 18.999 8.233 ( 17.768 5.368 4.055) 18.999 8.505 ( 21.490 -1.250 -4.262) 21.945 8.505 ( 21.490 -1.250 4.262) 21.945 9.010 ( -8.537 -1.026 -6.571) 10.821 9.010 ( -8.537 -1.026 6.571) 10.821 9.182 ( -7.670 2.306 -7.077) 10.688 9.182 ( -7.670 2.306 7.077) 10.688 10.872 ( -21.379 0.795 -2.313) 21.519 10.872 ( -21.379 0.795 2.313) 21.519 11.306 ( 1.813 1.609 -5.462) 5.976 11.306 ( 1.813 1.609 5.462) 5.976 11.619 ( -2.254 0.076 -4.371) 4.918 11.619 ( -2.254 0.076 4.371) 4.918 11.940 ( 4.993 -0.076 -8.943) 10.243 11.940 ( 4.993 -0.076 8.943) 10.243 12.115 ( -2.274 -2.550 -9.765) 10.345 12.115 ( -2.274 -2.550 9.765) 10.345 14.284 ( 13.151 5.463 -6.627) 15.707 14.284 ( 13.151 5.463 6.627) 15.707 14.980 ( -0.247 -1.168 -1.705) 2.082 14.980 ( -0.247 -1.168 1.705) 2.082 21.298 ( -1.945 -3.402 -2.246) 4.516 21.298 ( -1.945 -3.402 2.246) 4.516 21.548 ( 3.253 -3.386 -7.124) 8.532 21.548 ( 3.253 -3.386 7.124) 8.532 21.710 ( -0.891 2.018 -0.915) 2.388 21.710 ( -0.891 2.018 0.915) 2.388 22.927 ( -21.439 4.195 -4.033) 22.215 22.927 ( -21.439 4.195 4.033) 22.215 25.555 ( 28.685 4.038 -5.338) 29.456 25.555 ( 28.685 4.038 5.338) 29.456 26.877 ( -12.703 -0.583 -1.660) 12.825 26.877 ( -12.703 -0.583 1.660) 12.825 ======================= Grid point 218 (67/93) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 5.651 0.057 -2.020) 6.001 1.777 ( 5.651 0.057 2.020) 6.001 1.886 ( 5.706 -4.253 -3.601) 7.976 1.886 ( 5.706 -4.253 3.601) 7.976 2.033 ( 3.843 -2.007 -4.316) 6.118 2.033 ( 3.843 -2.007 4.316) 6.118 2.248 ( 0.213 3.869 -0.501) 3.907 2.248 ( 0.213 3.869 0.501) 3.907 2.480 ( -0.968 -2.735 -4.257) 5.151 2.480 ( -0.968 -2.735 4.257) 5.151 2.569 ( -1.519 1.057 -5.364) 5.674 2.569 ( -1.519 1.057 5.364) 5.674 2.778 ( -2.001 0.438 -2.328) 3.101 2.778 ( -2.001 0.438 2.328) 3.101 3.116 ( 0.752 2.029 -1.499) 2.633 3.116 ( 0.752 2.029 1.499) 2.633 3.290 ( 2.517 -6.890 -7.201) 10.279 3.290 ( 2.517 -6.890 7.201) 10.279 3.428 ( 1.787 2.095 -1.453) 3.114 3.428 ( 1.787 2.095 1.453) 3.114 3.546 ( 7.324 -3.673 -5.419) 9.823 3.546 ( 7.324 -3.673 5.419) 9.823 3.738 ( 0.077 1.767 -5.226) 5.517 3.738 ( 0.077 1.767 5.226) 5.517 4.543 ( 5.753 -4.718 -1.671) 7.626 4.543 ( 5.753 -4.718 1.671) 7.626 4.660 ( 2.129 4.304 -4.314) 6.455 4.660 ( 2.129 4.304 4.314) 6.455 5.341 ( 8.307 -0.800 -4.262) 9.370 5.341 ( 8.307 -0.800 4.262) 9.370 5.735 ( -1.759 0.095 -7.430) 7.636 5.735 ( -1.759 0.095 7.430) 7.636 6.748 ( 8.790 5.500 -13.175) 16.766 6.748 ( 8.790 5.500 13.175) 16.766 6.859 ( -3.402 -4.392 -9.931) 11.379 6.859 ( -3.402 -4.392 9.931) 11.379 8.280 ( 29.936 3.179 -3.087) 30.263 8.280 ( 29.936 3.179 3.087) 30.263 8.447 ( 11.888 2.791 -7.571) 14.368 8.447 ( 11.888 2.791 7.571) 14.368 8.792 ( 4.805 -2.822 -8.842) 10.451 8.792 ( 4.805 -2.822 8.842) 10.451 8.910 ( -3.628 -0.494 -2.095) 4.218 8.910 ( -3.628 -0.494 2.095) 4.218 9.149 ( 11.307 0.876 -9.909) 15.060 9.149 ( 11.307 0.876 9.909) 15.060 10.294 ( -40.500 -0.293 -2.720) 40.593 10.294 ( -40.500 -0.293 2.720) 40.593 11.370 ( 5.339 2.189 -5.635) 8.065 11.370 ( 5.339 2.189 5.635) 8.065 11.576 ( -1.595 1.902 -0.637) 2.563 11.576 ( -1.595 1.902 0.637) 2.563 12.050 ( 6.737 1.067 -6.221) 9.232 12.050 ( 6.737 1.067 6.221) 9.232 12.134 ( -0.814 -4.672 -8.577) 9.801 12.134 ( -0.814 -4.672 8.577) 9.801 14.488 ( 15.455 5.178 -6.361) 17.497 14.488 ( 15.455 5.178 6.361) 17.497 14.919 ( -8.125 -2.284 -3.196) 9.025 14.919 ( -8.125 -2.284 3.196) 9.025 21.290 ( -1.828 -2.506 -1.518) 3.454 21.290 ( -1.828 -2.506 1.518) 3.454 21.616 ( 1.188 -0.654 -3.610) 3.856 21.616 ( 1.188 -0.654 3.610) 3.856 21.719 ( 3.529 -0.899 -1.331) 3.878 21.719 ( 3.529 -0.899 1.331) 3.878 22.566 ( -15.858 3.029 -2.534) 16.342 22.566 ( -15.858 3.029 2.534) 16.342 25.980 ( 24.766 3.354 -3.535) 25.241 25.980 ( 24.766 3.354 3.535) 25.241 26.642 ( -15.891 -1.029 -1.833) 16.030 26.642 ( -15.891 -1.029 1.833) 16.030 ======================= Grid point 220 (68/93) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.000 -0.000 0.000) 0.000 1.825 ( 0.000 -0.000 0.000) 0.000 1.929 ( 0.000 -0.000 0.000) 0.000 1.929 ( 0.000 -0.000 0.000) 0.000 2.115 ( 0.000 -0.000 0.000) 0.000 2.115 ( 0.000 -0.000 0.000) 0.000 2.223 ( 0.000 -0.000 0.000) 0.000 2.223 ( 0.000 -0.000 0.000) 0.000 2.506 ( 0.000 -0.000 0.000) 0.000 2.506 ( -0.000 0.000 0.000) 0.000 2.521 ( 0.000 -0.000 -0.000) 0.000 2.521 ( -0.000 0.000 -0.000) 0.000 2.761 ( 0.000 -0.000 0.000) 0.000 2.761 ( 0.000 -0.000 0.000) 0.000 3.103 ( 0.000 -0.000 -0.000) 0.000 3.103 ( 0.000 -0.000 0.000) 0.000 3.355 ( -0.000 0.000 -0.000) 0.000 3.355 ( 0.000 0.000 -0.000) 0.000 3.419 ( 0.000 -0.000 0.000) 0.000 3.419 ( 0.000 -0.000 0.000) 0.000 3.645 ( 0.000 0.000 -0.000) 0.000 3.645 ( 0.000 -0.000 0.000) 0.000 3.723 ( 0.000 -0.000 -0.000) 0.000 3.723 ( 0.000 -0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 -0.000) 0.000 4.636 ( -0.000 -0.000 0.000) 0.000 4.636 ( -0.000 -0.000 0.000) 0.000 5.418 ( 0.000 -0.000 0.000) 0.000 5.418 ( 0.000 -0.000 0.000) 0.000 5.716 ( 0.000 -0.000 -0.000) 0.000 5.716 ( 0.000 -0.000 0.000) 0.000 6.821 ( -0.000 -0.000 -0.000) 0.000 6.821 ( -0.000 -0.000 0.000) 0.000 6.832 ( -0.000 -0.000 -0.000) 0.000 6.832 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 8.636 ( 0.000 -0.000 -0.000) 0.000 8.636 ( 0.000 -0.000 0.000) 0.000 8.750 ( -0.000 -0.000 -0.000) 0.000 8.750 ( -0.000 -0.000 0.000) 0.000 8.878 ( 0.000 -0.000 -0.000) 0.000 8.878 ( 0.000 -0.000 0.000) 0.000 9.588 ( 0.000 -0.000 -0.000) 0.000 9.588 ( 0.000 -0.000 0.000) 0.000 9.624 ( -0.000 -0.000 -0.000) 0.000 9.624 ( -0.000 -0.000 0.000) 0.000 11.412 ( 0.000 -0.000 0.000) 0.000 11.412 ( 0.000 -0.000 0.000) 0.000 11.548 ( -0.000 -0.000 -0.000) 0.000 11.548 ( 0.000 -0.000 0.000) 0.000 12.113 ( -0.000 -0.000 -0.000) 0.000 12.113 ( 0.000 0.000 0.000) 0.000 12.144 ( 0.000 0.000 -0.000) 0.000 12.144 ( -0.000 -0.000 0.000) 0.000 14.656 ( -0.000 -0.000 -0.000) 0.000 14.656 ( 0.000 -0.000 0.000) 0.000 14.802 ( 0.000 -0.000 0.000) 0.000 14.802 ( 0.000 -0.000 0.000) 0.000 21.284 ( 0.000 -0.000 0.000) 0.000 21.284 ( 0.000 -0.000 0.000) 0.000 21.621 ( 0.000 -0.000 0.000) 0.000 21.621 ( 0.000 -0.000 0.000) 0.000 21.778 ( 0.000 -0.000 0.000) 0.000 21.778 ( 0.000 -0.000 0.000) 0.000 22.398 ( 0.000 -0.000 0.000) 0.000 22.398 ( 0.000 -0.000 0.000) 0.000 26.318 ( 0.000 0.000 -0.000) 0.000 26.318 ( 0.000 0.000 0.000) 0.000 26.370 ( -0.000 -0.000 -0.000) 0.000 26.370 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 234 (69/93) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 16.501 -0.000 -19.225) 25.336 1.221 ( 16.501 -0.000 19.225) 25.336 1.405 ( 13.386 -0.000 -12.406) 18.251 1.405 ( 13.386 -0.000 12.406) 18.251 2.013 ( 2.166 -0.000 -3.330) 3.972 2.013 ( 2.166 -0.000 3.330) 3.972 2.234 ( 9.419 -0.000 -2.655) 9.786 2.234 ( 9.419 -0.000 2.655) 9.786 2.460 ( 7.862 -0.000 -13.011) 15.202 2.460 ( 7.862 -0.000 13.011) 15.202 2.480 ( 2.488 -0.000 -17.077) 17.258 2.480 ( 2.488 -0.000 17.077) 17.258 2.731 ( 3.479 -0.000 -0.830) 3.577 2.731 ( 3.479 -0.000 0.830) 3.577 2.911 ( 3.726 -0.000 -1.580) 4.047 2.911 ( 3.726 -0.000 1.580) 4.047 2.982 ( 7.149 -0.000 -6.331) 9.549 2.982 ( 7.149 -0.000 6.331) 9.549 3.255 ( 2.065 -0.000 -3.506) 4.069 3.255 ( 2.065 -0.000 3.506) 4.069 3.462 ( -3.351 0.000 -1.029) 3.505 3.462 ( -3.351 0.000 1.029) 3.505 3.811 ( 3.270 -0.000 -11.307) 11.771 3.811 ( 3.270 -0.000 11.307) 11.771 4.027 ( 14.567 -0.000 -9.619) 17.456 4.027 ( 14.567 -0.000 9.619) 17.456 4.633 ( 3.603 -0.000 -7.210) 8.060 4.633 ( 3.603 -0.000 7.210) 8.060 4.808 ( 18.088 -0.000 -1.265) 18.132 4.808 ( 18.088 -0.000 1.265) 18.132 5.944 ( -10.036 0.000 -12.370) 15.929 5.944 ( -10.036 0.000 12.370) 15.929 6.554 ( 4.381 -0.000 -14.481) 15.129 6.554 ( 4.381 -0.000 14.481) 15.129 6.851 ( 1.841 -0.000 -1.096) 2.142 6.851 ( 1.841 -0.000 1.096) 2.142 7.245 ( 20.710 -0.000 -5.625) 21.461 7.245 ( 20.710 -0.000 5.625) 21.461 7.950 ( 25.245 -0.000 -4.464) 25.637 7.950 ( 25.245 -0.000 4.464) 25.637 8.107 ( 20.539 -0.000 -0.549) 20.547 8.107 ( 20.539 -0.000 0.549) 20.547 9.190 ( -12.393 0.000 -7.739) 14.611 9.190 ( -12.393 0.000 7.739) 14.611 9.398 ( -12.700 0.000 -5.193) 13.721 9.398 ( -12.700 0.000 5.193) 13.721 10.959 ( 9.458 -0.000 -5.176) 10.782 10.959 ( 9.458 -0.000 5.176) 10.782 11.312 ( 6.988 -0.000 -2.773) 7.518 11.312 ( 6.988 -0.000 2.773) 7.518 11.628 ( -6.857 0.000 -6.057) 9.149 11.628 ( -6.857 0.000 6.057) 9.149 11.898 ( 0.369 -0.000 -12.033) 12.038 11.898 ( 0.369 -0.000 12.033) 12.038 12.281 ( -18.502 0.000 -10.021) 21.041 12.281 ( -18.502 0.000 10.021) 21.041 14.186 ( 7.948 -0.000 -4.060) 8.926 14.186 ( 7.948 -0.000 4.060) 8.926 14.900 ( 7.865 -0.000 -0.144) 7.867 14.900 ( 7.865 -0.000 0.144) 7.867 21.271 ( -0.628 0.000 -1.208) 1.362 21.271 ( -0.628 0.000 1.208) 1.362 21.441 ( 2.038 -0.000 -10.206) 10.408 21.441 ( 2.038 -0.000 10.206) 10.408 21.783 ( -1.516 0.000 -2.539) 2.957 21.783 ( -1.516 0.000 2.539) 2.957 23.377 ( -21.849 0.000 -5.063) 22.428 23.377 ( -21.849 0.000 5.063) 22.428 25.094 ( 32.120 -0.000 -7.350) 32.950 25.094 ( 32.120 -0.000 7.350) 32.950 27.078 ( -12.000 0.000 -1.764) 12.129 27.078 ( -12.000 0.000 1.764) 12.129 ======================= Grid point 236 (70/93) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 15.997 -3.740 -13.984) 21.574 1.526 ( 15.997 -3.740 13.984) 21.574 1.622 ( 11.572 -0.493 -6.673) 13.367 1.622 ( 11.572 -0.493 6.673) 13.367 2.025 ( 0.327 0.896 -3.491) 3.619 2.025 ( 0.327 0.896 3.491) 3.619 2.323 ( 2.660 1.909 -2.027) 3.851 2.323 ( 2.660 1.909 2.027) 3.851 2.454 ( -0.728 -0.727 -2.009) 2.257 2.454 ( -0.728 -0.727 2.009) 2.257 2.583 ( 0.581 -0.496 -7.299) 7.339 2.583 ( 0.581 -0.496 7.299) 7.339 2.807 ( 1.373 -0.798 -1.757) 2.368 2.807 ( 1.373 -0.798 1.757) 2.368 2.964 ( 7.213 -0.667 -7.391) 10.349 2.964 ( 7.213 -0.667 7.391) 10.349 3.187 ( 11.561 -2.483 -5.831) 13.184 3.187 ( 11.561 -2.483 5.831) 13.184 3.304 ( 3.207 0.448 -3.395) 4.692 3.304 ( 3.207 0.448 3.395) 4.692 3.404 ( -2.472 -1.389 -2.348) 3.681 3.404 ( -2.472 -1.389 2.348) 3.681 3.822 ( 0.348 2.207 -9.546) 9.804 3.822 ( 0.348 2.207 9.546) 9.804 4.297 ( 13.506 -1.291 -7.954) 15.727 4.297 ( 13.506 -1.291 7.954) 15.727 4.681 ( 3.554 1.202 -7.108) 8.037 4.681 ( 3.554 1.202 7.108) 8.037 5.115 ( 16.083 -0.228 -3.162) 16.392 5.115 ( 16.083 -0.228 3.162) 16.392 5.809 ( -5.623 0.956 -11.617) 12.942 5.809 ( -5.623 0.956 11.617) 12.942 6.671 ( 8.506 0.361 -16.408) 18.485 6.671 ( 8.506 0.361 16.408) 18.485 6.838 ( -2.086 -0.958 -3.006) 3.782 6.838 ( -2.086 -0.958 3.006) 3.782 7.731 ( 33.573 0.108 -2.301) 33.652 7.731 ( 33.573 0.108 2.301) 33.652 8.305 ( 17.023 2.509 -3.792) 17.619 8.305 ( 17.023 2.509 3.792) 17.619 8.475 ( 20.574 -1.545 -4.468) 21.110 8.475 ( 20.574 -1.545 4.468) 21.110 9.005 ( -8.787 0.090 -7.418) 11.500 9.005 ( -8.787 0.090 7.418) 11.500 9.209 ( -8.256 0.811 -8.041) 11.553 9.209 ( -8.256 0.811 8.041) 11.553 10.882 ( -24.340 0.294 -1.225) 24.372 10.882 ( -24.340 0.294 1.225) 24.372 11.331 ( 3.696 0.914 -7.759) 8.643 11.331 ( 3.696 0.914 7.759) 8.643 11.622 ( 3.243 0.233 -6.887) 7.616 11.622 ( 3.243 0.233 6.887) 7.616 11.917 ( 1.790 -1.425 -14.736) 14.912 11.917 ( 1.790 -1.425 14.736) 14.912 12.097 ( -3.263 -0.132 -13.656) 14.041 12.097 ( -3.263 -0.132 13.656) 14.041 14.355 ( 12.807 2.337 -5.153) 14.002 14.355 ( 12.807 2.337 5.153) 14.002 14.965 ( -0.750 -0.438 -1.569) 1.793 14.965 ( -0.750 -0.438 1.569) 1.793 21.250 ( -2.217 -1.628 -1.333) 3.057 21.250 ( -2.217 -1.628 1.333) 3.057 21.506 ( 4.908 -1.273 -9.289) 10.583 21.506 ( 4.908 -1.273 9.289) 10.583 21.746 ( -1.642 1.358 -1.845) 2.819 21.746 ( -1.642 1.358 1.845) 2.819 22.977 ( -22.963 1.522 -2.808) 23.184 22.977 ( -22.963 1.522 2.808) 23.184 25.606 ( 28.149 1.612 -6.573) 28.952 25.606 ( 28.149 1.612 6.573) 28.952 26.869 ( -12.893 -0.248 -0.775) 12.918 26.869 ( -12.893 -0.248 0.775) 12.918 ======================= Grid point 238 (71/93) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 6.333 -1.587 -0.712) 6.567 1.763 ( 6.333 -1.587 0.712) 6.567 1.821 ( 11.312 -2.460 -3.783) 12.179 1.821 ( 11.312 -2.460 3.783) 12.179 2.025 ( 0.966 0.707 -3.311) 3.521 2.025 ( 0.966 0.707 3.311) 3.521 2.322 ( 0.946 4.210 -1.320) 4.513 2.322 ( 0.946 4.210 1.320) 4.513 2.448 ( -0.810 -0.818 -5.375) 5.497 2.448 ( -0.810 -0.818 5.375) 5.497 2.581 ( -0.190 -0.269 -6.626) 6.634 2.581 ( -0.190 -0.269 6.626) 6.634 2.786 ( -1.833 0.114 -3.522) 3.972 2.786 ( -1.833 0.114 3.522) 3.972 3.105 ( 4.701 -2.701 -7.739) 9.449 3.105 ( 4.701 -2.701 7.739) 9.449 3.222 ( -4.326 -0.166 -3.507) 5.571 3.222 ( -4.326 -0.166 3.507) 5.571 3.426 ( 4.141 -1.427 -1.420) 4.604 3.426 ( 4.141 -1.427 1.420) 4.604 3.482 ( 10.337 -3.358 -5.914) 12.374 3.482 ( 10.337 -3.358 5.914) 12.374 3.799 ( 0.157 3.944 -8.459) 9.334 3.799 ( 0.157 3.944 8.459) 9.334 4.472 ( 4.819 -3.108 -4.239) 7.131 4.472 ( 4.819 -3.108 4.239) 7.131 4.729 ( 3.808 3.204 -6.002) 7.797 4.729 ( 3.808 3.204 6.002) 7.797 5.342 ( 10.503 0.686 -4.205) 11.334 5.342 ( 10.503 0.686 4.205) 11.334 5.723 ( -4.551 -1.145 -8.536) 9.741 5.723 ( -4.551 -1.145 8.536) 9.741 6.773 ( -1.130 -2.743 -7.913) 8.451 6.773 ( -1.130 -2.743 7.913) 8.451 6.843 ( 6.041 2.819 -12.144) 13.854 6.843 ( 6.041 2.819 12.144) 13.854 8.312 ( 31.403 0.781 -2.137) 31.485 8.312 ( 31.403 0.781 2.137) 31.485 8.490 ( 6.335 1.675 -5.435) 8.514 8.490 ( 6.335 1.675 5.435) 8.514 8.742 ( 5.260 -2.096 -10.624) 12.039 8.742 ( 5.260 -2.096 10.624) 12.039 8.914 ( -1.537 0.474 -5.582) 5.809 8.914 ( -1.537 0.474 5.582) 5.809 9.164 ( 9.139 0.745 -9.909) 13.500 9.164 ( 9.139 0.745 9.909) 13.500 10.290 ( -39.957 -0.193 -2.946) 40.066 10.290 ( -39.957 -0.193 2.946) 40.066 11.420 ( 6.230 3.187 -8.851) 11.283 11.420 ( 6.230 3.187 8.851) 11.283 11.612 ( -2.579 2.026 -6.151) 6.970 11.612 ( -2.579 2.026 6.151) 6.970 11.981 ( 0.319 -5.881 -14.109) 15.289 11.981 ( 0.319 -5.881 14.109) 15.289 12.123 ( 5.453 0.935 -13.579) 14.663 12.123 ( 5.453 0.935 13.579) 14.663 14.568 ( 14.376 3.683 -5.500) 15.827 14.568 ( 14.376 3.683 5.500) 15.827 14.886 ( -9.011 -1.494 -2.956) 9.601 14.886 ( -9.011 -1.494 2.956) 9.601 21.237 ( -1.383 -2.821 -0.160) 3.146 21.237 ( -1.383 -2.821 0.160) 3.146 21.614 ( 5.871 -0.015 -6.850) 9.022 21.614 ( 5.871 -0.015 6.850) 9.022 21.724 ( 1.264 1.039 -2.121) 2.679 21.724 ( 1.264 1.039 2.121) 2.679 22.605 ( -18.042 1.449 -1.301) 18.147 22.605 ( -18.042 1.449 1.301) 18.147 26.026 ( 22.920 1.865 -4.205) 23.377 26.026 ( 22.920 1.865 4.205) 23.377 26.628 ( -16.019 -0.510 -1.232) 16.075 26.628 ( -16.019 -0.510 1.232) 16.075 ======================= Grid point 240 (72/93) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -1.036 -1.040 -1.339) 1.987 1.812 ( -1.036 -1.040 1.339) 1.987 1.955 ( 3.499 1.888 -0.518) 4.009 1.955 ( 3.499 1.888 0.518) 4.009 2.069 ( 2.202 -3.081 -4.628) 5.980 2.069 ( 2.202 -3.081 4.628) 5.980 2.281 ( -1.242 5.129 -1.201) 5.412 2.281 ( -1.242 5.129 1.201) 5.412 2.465 ( 2.164 -1.748 -4.332) 5.148 2.465 ( 2.164 -1.748 4.332) 5.148 2.575 ( 0.620 3.051 -4.683) 5.623 2.575 ( 0.620 3.051 4.683) 5.623 2.772 ( 0.431 0.492 -0.852) 1.074 2.772 ( 0.431 0.492 0.852) 1.074 3.103 ( -3.641 0.162 -2.554) 4.450 3.103 ( -3.641 0.162 2.554) 4.450 3.229 ( -0.326 -8.482 -9.571) 12.792 3.229 ( -0.326 -8.482 9.571) 12.792 3.473 ( 1.455 1.461 -0.365) 2.094 3.473 ( 1.455 1.461 0.365) 2.094 3.647 ( 4.857 -0.081 -4.564) 6.665 3.647 ( 4.857 -0.081 4.564) 6.665 3.763 ( 0.401 4.338 -6.071) 7.472 3.763 ( 0.401 4.338 6.071) 7.472 4.537 ( -0.497 -4.887 -0.867) 4.988 4.537 ( -0.497 -4.887 0.867) 4.988 4.738 ( 1.091 5.429 -4.659) 7.237 4.738 ( 1.091 5.429 4.659) 7.237 5.440 ( 1.924 2.554 -1.135) 3.393 5.440 ( 1.924 2.554 1.135) 3.393 5.690 ( -0.943 -2.983 -1.163) 3.338 5.690 ( -0.943 -2.983 1.163) 3.338 6.730 ( -6.634 -4.979 -8.164) 11.638 6.730 ( -6.634 -4.979 8.164) 11.638 6.918 ( 4.911 4.491 -15.028) 16.436 6.918 ( 4.911 4.491 15.028) 16.436 8.439 ( -10.742 -4.948 -4.995) 12.839 8.439 ( -10.742 -4.948 4.995) 12.839 8.675 ( -2.012 2.258 -7.011) 7.636 8.675 ( -2.012 2.258 7.011) 7.636 8.750 ( 6.608 0.484 -1.828) 6.873 8.750 ( 6.608 0.484 1.828) 6.873 8.891 ( 1.653 1.242 -9.683) 9.902 8.891 ( 1.653 1.242 9.683) 9.902 9.587 ( 13.915 -0.172 -4.285) 14.561 9.587 ( 13.915 -0.172 4.285) 14.561 9.625 ( -13.348 0.161 -4.396) 14.054 9.625 ( -13.348 0.161 4.396) 14.054 11.444 ( -1.124 3.453 -2.623) 4.479 11.444 ( -1.124 3.453 2.623) 4.479 11.554 ( -1.290 0.561 -8.713) 8.826 11.554 ( -1.290 0.561 8.713) 8.826 12.008 ( -3.890 -7.562 -12.123) 14.808 12.008 ( -3.890 -7.562 12.123) 14.808 12.211 ( 5.666 3.442 -12.392) 14.055 12.211 ( 5.666 3.442 12.392) 14.055 14.643 ( -11.607 -1.128 -3.639) 12.217 14.643 ( -11.607 -1.128 3.639) 12.217 14.821 ( 8.960 1.721 -3.758) 9.867 14.821 ( 8.960 1.721 3.758) 9.867 21.255 ( 0.653 -2.705 -2.115) 3.495 21.255 ( 0.653 -2.705 2.115) 3.495 21.659 ( 2.338 3.657 -1.859) 4.722 21.659 ( 2.338 3.657 1.859) 4.722 21.782 ( 3.009 0.293 -2.780) 4.107 21.782 ( 3.009 0.293 2.780) 4.107 22.390 ( -4.512 -0.845 -1.432) 4.808 22.390 ( -4.512 -0.845 1.432) 4.808 26.280 ( -12.794 -2.714 -1.901) 13.216 26.280 ( -12.794 -2.714 1.901) 13.216 26.406 ( 10.262 2.497 -2.453) 10.842 26.406 ( 10.262 2.497 2.453) 10.842 ======================= Grid point 242 (73/93) ======================= q-point: (-0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -4.962 -0.895 -0.353) 5.055 1.766 ( -4.962 -0.895 0.353) 5.055 1.954 ( -1.220 3.375 -3.134) 4.765 1.954 ( -1.220 3.375 3.134) 4.765 2.074 ( -3.327 1.326 -2.050) 4.127 2.074 ( -3.327 1.326 2.050) 4.127 2.215 ( -1.342 1.371 -2.063) 2.818 2.215 ( -1.342 1.371 2.063) 2.818 2.522 ( 1.270 0.678 -1.020) 1.764 2.522 ( 1.270 0.678 1.020) 1.764 2.572 ( 3.495 2.701 -1.189) 4.575 2.572 ( 3.495 2.701 1.189) 4.575 2.784 ( 1.954 1.026 -3.418) 4.069 2.784 ( 1.954 1.026 3.418) 4.069 3.063 ( -2.610 -3.551 -3.797) 5.817 3.063 ( -2.610 -3.551 3.797) 5.817 3.292 ( -1.360 -7.752 -8.208) 11.372 3.292 ( -1.360 -7.752 8.208) 11.372 3.443 ( -1.869 4.697 -2.864) 5.810 3.443 ( -1.869 4.697 2.864) 5.810 3.616 ( -3.824 4.691 -1.762) 6.303 3.616 ( -3.824 4.691 1.762) 6.303 3.754 ( 0.776 3.226 -1.858) 3.803 3.754 ( 0.776 3.226 1.858) 3.803 4.554 ( -2.760 -4.525 -2.876) 6.030 4.554 ( -2.760 -4.525 2.876) 6.030 4.660 ( -4.711 5.145 -2.508) 7.413 4.660 ( -4.711 5.145 2.508) 7.413 5.373 ( -6.735 2.782 -4.157) 8.389 5.373 ( -6.735 2.782 4.157) 8.389 5.716 ( 0.373 -2.035 -6.593) 6.910 5.716 ( 0.373 -2.035 6.593) 6.910 6.642 ( -9.030 -6.238 -9.840) 14.741 6.642 ( -9.030 -6.238 9.840) 14.741 6.936 ( 2.155 4.081 -13.831) 14.580 6.936 ( 2.155 4.081 13.831) 14.580 8.202 ( -24.113 -5.375 -2.695) 24.852 8.202 ( -24.113 -5.375 2.695) 24.852 8.410 ( -19.173 -1.346 -7.934) 20.793 8.410 ( -19.173 -1.346 7.934) 20.793 8.811 ( -8.381 -0.528 -8.289) 11.799 8.811 ( -8.381 -0.528 8.289) 11.799 8.945 ( 6.944 3.142 -5.777) 9.564 8.945 ( 6.944 3.142 5.777) 9.564 9.136 ( -14.129 -0.570 -9.316) 16.933 9.136 ( -14.129 -0.570 9.316) 16.933 10.299 ( 41.176 0.288 -2.420) 41.248 10.299 ( 41.176 0.288 2.420) 41.248 11.352 ( -6.182 0.116 -3.574) 7.142 11.352 ( -6.182 0.116 3.574) 7.142 11.556 ( 1.243 -0.084 -5.107) 5.257 11.556 ( 1.243 -0.084 5.107) 5.257 11.977 ( -6.782 -6.319 -9.353) 13.168 11.977 ( -6.782 -6.319 9.353) 13.168 12.235 ( 1.698 5.643 -11.469) 12.894 12.235 ( 1.698 5.643 11.469) 12.894 14.402 ( -16.812 -4.418 -6.315) 18.494 14.402 ( -16.812 -4.418 6.315) 18.494 14.960 ( 7.249 2.343 -3.519) 8.392 14.960 ( 7.249 2.343 3.519) 8.392 21.300 ( 2.287 -1.342 -3.873) 4.694 21.300 ( 2.287 -1.342 3.873) 4.694 21.657 ( 0.960 4.040 -1.867) 4.553 21.657 ( 0.960 4.040 1.867) 4.553 21.756 ( -2.395 3.268 -1.478) 4.313 21.756 ( -2.395 3.268 1.478) 4.313 22.501 ( 13.063 -4.412 -4.221) 14.420 22.501 ( 13.063 -4.412 4.221) 14.420 25.917 ( -26.293 -3.635 -2.798) 26.690 25.917 ( -26.293 -3.635 2.798) 26.690 26.661 ( 15.177 1.140 -1.992) 15.350 26.661 ( 15.177 1.140 1.992) 15.350 ======================= Grid point 244 (74/93) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -7.949 1.229 -4.103) 9.030 1.656 ( -7.949 1.229 4.103) 9.030 1.809 ( -9.619 7.851 -8.427) 15.006 1.809 ( -9.619 7.851 8.427) 15.006 2.011 ( -0.498 2.797 -4.456) 5.285 2.011 ( -0.498 2.797 4.456) 5.285 2.218 ( -0.119 -2.451 -1.105) 2.692 2.218 ( -0.119 -2.451 1.105) 2.692 2.511 ( -0.473 1.549 -4.237) 4.536 2.511 ( -0.473 1.549 4.237) 4.536 2.593 ( 0.216 2.338 -3.182) 3.954 2.593 ( 0.216 2.338 3.182) 3.954 2.830 ( 3.572 0.286 -2.629) 4.444 2.830 ( 3.572 0.286 2.629) 4.444 3.055 ( -3.159 -2.938 -3.419) 5.505 3.055 ( -3.159 -2.938 3.419) 5.505 3.238 ( -8.201 3.674 -7.034) 11.412 3.238 ( -8.201 3.674 7.034) 11.412 3.367 ( -3.587 0.936 -4.216) 5.614 3.367 ( -3.587 0.936 4.216) 5.614 3.514 ( -1.828 4.559 -4.844) 6.899 3.514 ( -1.828 4.559 4.844) 6.899 3.724 ( -0.850 1.265 -3.401) 3.727 3.724 ( -0.850 1.265 3.401) 3.727 4.403 ( -15.295 4.062 -2.868) 16.083 4.403 ( -15.295 4.062 2.868) 16.083 4.593 ( -2.093 -3.348 -4.513) 5.996 4.593 ( -2.093 -3.348 4.513) 5.996 5.157 ( -15.935 2.305 -4.980) 16.853 5.157 ( -15.935 2.305 4.980) 16.853 5.739 ( 0.907 -2.370 -9.498) 9.831 5.739 ( 0.907 -2.370 9.498) 9.831 6.549 ( -7.464 -6.046 -10.228) 14.031 6.549 ( -7.464 -6.046 10.228) 14.031 6.942 ( 2.533 3.345 -12.217) 12.917 6.942 ( 2.533 3.345 12.217) 12.917 7.717 ( -31.822 -0.671 -2.439) 31.923 7.717 ( -31.822 -0.671 2.439) 31.923 8.134 ( -18.257 -5.683 -4.792) 19.712 8.134 ( -18.257 -5.683 4.792) 19.712 8.507 ( -23.034 -1.023 -5.695) 23.749 8.507 ( -23.034 -1.023 5.695) 23.749 9.040 ( 7.092 1.943 -7.121) 10.237 9.040 ( 7.092 1.943 7.121) 10.237 9.134 ( 6.564 -2.898 -4.353) 8.393 9.134 ( 6.564 -2.898 4.353) 8.393 10.855 ( 16.741 -1.079 -3.265) 17.090 10.855 ( 16.741 -1.079 3.265) 17.090 11.288 ( 0.873 -0.195 -3.430) 3.545 11.288 ( 0.873 -0.195 3.430) 3.545 11.618 ( 7.525 -0.154 -2.124) 7.821 11.618 ( 7.525 -0.154 2.124) 7.821 11.905 ( -5.234 -3.889 -7.390) 9.855 11.905 ( -5.234 -3.889 7.390) 9.855 12.186 ( -0.839 5.117 -9.848) 11.130 12.186 ( -0.839 5.117 9.848) 11.130 14.184 ( -13.165 -5.619 -6.599) 15.762 14.184 ( -13.165 -5.619 6.599) 15.762 15.004 ( -0.508 1.544 -1.950) 2.539 15.004 ( -0.508 1.544 1.950) 2.539 21.343 ( 2.039 0.998 -4.331) 4.890 21.343 ( 2.039 0.998 4.331) 4.890 21.602 ( -3.239 2.259 -2.194) 4.517 21.602 ( -3.239 2.259 2.194) 4.517 21.720 ( 1.988 4.404 -4.509) 6.610 21.720 ( 1.988 4.404 4.509) 6.610 22.836 ( 19.327 -6.111 -5.769) 21.075 22.836 ( 19.327 -6.111 5.769) 21.075 25.477 ( -29.095 -4.707 -3.930) 29.734 25.477 ( -29.095 -4.707 3.930) 29.734 26.887 ( 12.255 0.576 -2.015) 12.433 26.887 ( 12.255 0.576 2.015) 12.433 ======================= Grid point 246 (75/93) ======================= q-point: (-0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -10.513 4.916 -12.750) 17.241 1.471 ( -10.513 4.916 12.750) 17.241 1.541 ( -10.808 12.044 -10.158) 19.106 1.541 ( -10.808 12.044 10.158) 19.106 1.994 ( -0.172 0.844 -5.560) 5.626 1.994 ( -0.172 0.844 5.560) 5.626 2.219 ( -2.830 -1.805 -2.469) 4.167 2.219 ( -2.830 -1.805 2.469) 4.167 2.472 ( -4.149 0.313 -8.275) 9.262 2.472 ( -4.149 0.313 8.275) 9.262 2.547 ( -3.236 1.206 -3.386) 4.837 2.547 ( -3.236 1.206 3.386) 4.837 2.810 ( -7.308 8.463 -11.710) 16.192 2.810 ( -7.308 8.463 11.710) 16.192 2.955 ( -1.522 2.139 -4.425) 5.145 2.955 ( -1.522 2.139 4.425) 5.145 3.122 ( -4.049 0.685 -4.674) 6.222 3.122 ( -4.049 0.685 4.674) 6.222 3.248 ( -5.916 3.711 -0.822) 7.032 3.248 ( -5.916 3.711 0.822) 7.032 3.484 ( 0.512 1.419 -4.918) 5.144 3.484 ( 0.512 1.419 4.918) 5.144 3.733 ( 0.843 -2.455 -6.017) 6.553 3.733 ( 0.843 -2.455 6.017) 6.553 4.056 ( -19.362 2.116 -7.637) 20.921 4.056 ( -19.362 2.116 7.637) 20.921 4.583 ( -2.944 -2.373 -7.577) 8.468 4.583 ( -2.944 -2.373 7.577) 8.468 4.829 ( -18.488 0.953 -5.723) 19.377 4.829 ( -18.488 0.953 5.723) 19.377 5.817 ( 5.618 -4.007 -10.052) 12.192 5.817 ( 5.618 -4.007 10.052) 12.192 6.507 ( -2.732 -4.576 -9.587) 10.969 6.507 ( -2.732 -4.576 9.587) 10.969 6.937 ( -2.968 3.398 -8.866) 9.948 6.937 ( -2.968 3.398 8.866) 9.948 7.242 ( -19.789 -0.463 -7.868) 21.300 7.242 ( -19.789 -0.463 7.868) 21.300 7.848 ( -20.871 -4.765 -4.684) 21.914 7.848 ( -20.871 -4.765 4.684) 21.914 8.109 ( -23.651 -1.394 -1.808) 23.761 8.109 ( -23.651 -1.394 1.808) 23.761 9.181 ( 10.456 0.119 -7.408) 12.815 9.181 ( 10.456 0.119 7.408) 12.815 9.325 ( 11.630 -3.851 -1.805) 12.384 9.325 ( 11.630 -3.851 1.805) 12.384 10.873 ( -10.158 -4.124 -5.439) 12.238 10.873 ( -10.158 -4.124 5.439) 12.238 11.285 ( -5.349 -0.271 -3.307) 6.295 11.285 ( -5.349 -0.271 3.307) 6.295 11.715 ( 0.268 1.051 -5.994) 6.092 11.715 ( 0.268 1.051 5.994) 6.092 11.964 ( 6.848 4.417 -6.355) 10.333 11.964 ( 6.848 4.417 6.355) 10.333 12.247 ( 16.843 -1.395 -5.854) 17.886 12.247 ( 16.843 -1.395 5.854) 17.886 14.060 ( -6.771 -5.077 -5.271) 9.971 14.060 ( -6.771 -5.077 5.271) 9.971 14.915 ( -8.471 0.787 -0.467) 8.520 14.915 ( -8.471 0.787 0.467) 8.520 21.338 ( -0.798 2.747 -2.713) 3.942 21.338 ( -0.798 2.747 2.713) 3.942 21.542 ( -1.937 1.500 -3.002) 3.875 21.542 ( -1.937 1.500 3.002) 3.875 21.722 ( 1.392 2.311 -6.396) 6.942 21.722 ( 1.392 2.311 6.396) 6.942 23.225 ( 18.272 -7.390 -7.882) 21.227 23.225 ( 18.272 -7.390 7.882) 21.227 25.021 ( -27.958 -3.491 -4.647) 28.555 25.021 ( -27.958 -3.491 4.647) 28.555 27.076 ( 10.295 -0.128 -2.699) 10.644 27.076 ( 10.295 -0.128 2.699) 10.644 ======================= Grid point 248 (76/93) ======================= q-point: (-0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -8.421 11.536 -19.740) 24.365 1.230 ( -8.421 11.536 19.740) 24.365 1.244 ( -12.167 10.165 -14.767) 21.666 1.244 ( -12.167 10.165 14.767) 21.666 1.972 ( -1.386 1.647 -2.181) 3.064 1.972 ( -1.386 1.647 2.181) 3.064 2.113 ( -8.780 4.133 -4.761) 10.809 2.113 ( -8.780 4.133 4.761) 10.809 2.357 ( -4.874 1.894 -15.575) 16.430 2.357 ( -4.874 1.894 15.575) 16.430 2.471 ( -6.332 -1.356 -1.082) 6.565 2.471 ( -6.332 -1.356 1.082) 6.565 2.633 ( -1.698 5.339 -12.001) 13.245 2.633 ( -1.698 5.339 12.001) 13.245 2.913 ( -5.590 6.724 -2.426) 9.074 2.913 ( -5.590 6.724 2.426) 9.074 2.989 ( -2.725 2.164 -6.459) 7.337 2.989 ( -2.725 2.164 6.459) 7.337 3.218 ( 1.147 -2.572 -4.878) 5.633 3.218 ( 1.147 -2.572 4.878) 5.633 3.498 ( 1.801 -0.192 -4.393) 4.752 3.498 ( 1.801 -0.192 4.393) 4.752 3.685 ( -9.576 -0.104 -9.554) 13.528 3.685 ( -9.576 -0.104 9.554) 13.528 3.877 ( 0.845 -1.768 -6.418) 6.710 3.877 ( 0.845 -1.768 6.418) 6.710 4.427 ( -15.223 -0.159 -4.776) 15.956 4.427 ( -15.223 -0.159 4.776) 15.956 4.658 ( -1.509 -0.367 -2.266) 2.748 4.658 ( -1.509 -0.367 2.266) 2.748 6.000 ( 9.525 -6.797 -10.371) 15.635 6.000 ( 9.525 -6.797 10.371) 15.635 6.524 ( -0.560 -2.265 -8.340) 8.660 6.524 ( -0.560 -2.265 8.340) 8.660 6.720 ( -12.601 -0.880 -4.093) 13.279 6.720 ( -12.601 -0.880 4.093) 13.279 7.160 ( 5.079 1.990 -10.927) 12.213 7.160 ( 5.079 1.990 10.927) 12.213 7.518 ( -19.348 -0.990 -10.581) 22.074 7.518 ( -19.348 -0.990 10.581) 22.074 7.758 ( -18.114 -1.555 -3.578) 18.530 7.758 ( -18.114 -1.555 3.578) 18.530 9.370 ( 9.955 -1.221 -8.072) 12.875 9.370 ( 9.955 -1.221 8.072) 12.875 9.566 ( 11.159 -4.071 -3.269) 12.320 9.566 ( 11.159 -4.071 3.269) 12.320 10.706 ( -11.491 -3.670 -2.107) 12.245 10.706 ( -11.491 -3.670 2.107) 12.245 11.147 ( -8.558 -0.027 -3.503) 9.247 11.147 ( -8.558 -0.027 3.503) 9.247 11.706 ( -0.227 -0.637 -8.688) 8.714 11.706 ( -0.227 -0.637 8.688) 8.714 11.974 ( 1.473 3.899 -8.497) 9.464 11.974 ( 1.473 3.899 8.497) 9.464 12.638 ( 20.987 0.175 -4.007) 21.367 12.638 ( 20.987 0.175 4.007) 21.367 14.033 ( -1.269 -3.635 -3.489) 5.196 14.033 ( -1.269 -3.635 3.489) 5.196 14.727 ( -11.497 0.282 -1.219) 11.565 14.727 ( -11.497 0.282 1.219) 11.565 21.282 ( -2.904 1.369 -0.552) 3.258 21.282 ( -2.904 1.369 0.552) 3.258 21.494 ( -1.518 3.352 -5.195) 6.366 21.494 ( -1.518 3.352 5.195) 6.366 21.729 ( 0.051 -1.172 -8.923) 9.000 21.729 ( 0.051 -1.172 8.923) 9.000 23.548 ( 10.389 -8.480 -10.968) 17.324 23.548 ( 10.389 -8.480 10.968) 17.324 24.614 ( -19.213 1.427 -3.218) 19.533 24.614 ( -19.214 1.427 3.218) 19.533 27.242 ( 7.819 -1.787 -3.160) 8.621 27.242 ( 7.819 -1.787 3.160) 8.621 ======================= Grid point 250 (77/93) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.000 15.083 -21.668) 26.401 1.029 ( 0.000 15.083 21.668) 26.401 1.038 ( 0.000 5.784 -21.393) 22.161 1.038 ( 0.000 5.784 21.393) 22.161 1.945 ( 0.000 2.010 -2.161) 2.952 1.945 ( 0.000 2.010 2.161) 2.952 1.948 ( 0.000 7.194 -21.943) 23.092 1.948 ( 0.000 7.194 21.943) 23.092 2.308 ( 0.000 2.906 -18.344) 18.573 2.308 ( 0.000 2.906 18.344) 18.573 2.414 ( -0.000 -3.361 -4.028) 5.246 2.414 ( -0.000 -3.361 4.028) 5.246 2.613 ( -0.000 -0.602 -9.208) 9.227 2.613 ( -0.000 -0.602 9.208) 9.227 2.787 ( 0.000 5.281 -2.636) 5.903 2.787 ( 0.000 5.281 2.636) 5.903 2.960 ( 0.000 2.444 -7.901) 8.270 2.960 ( 0.000 2.444 7.901) 8.270 3.264 ( -0.000 -2.956 -3.822) 4.832 3.264 ( -0.000 -2.956 3.822) 4.832 3.547 ( -0.000 -0.287 -1.102) 1.139 3.547 ( -0.000 -0.287 1.102) 1.139 3.564 ( 0.000 0.005 -13.383) 13.383 3.564 ( 0.000 0.005 13.383) 13.383 3.922 ( -0.000 -0.829 -8.945) 8.983 3.922 ( -0.000 -0.829 8.945) 8.983 4.260 ( 0.000 0.511 -7.791) 7.808 4.260 ( 0.000 0.511 7.791) 7.808 4.657 ( -0.000 -0.500 -5.280) 5.303 4.657 ( -0.000 -0.500 5.280) 5.303 6.186 ( -0.000 -9.655 -11.725) 15.189 6.186 ( -0.000 -9.655 11.725) 15.189 6.469 ( 0.000 0.283 -0.630) 0.691 6.469 ( 0.000 0.283 0.630) 0.691 6.695 ( -0.000 -3.841 -5.267) 6.519 6.695 ( -0.000 -3.841 5.267) 6.519 7.253 ( 0.000 6.006 -13.730) 14.986 7.253 ( 0.000 6.006 13.730) 14.986 7.264 ( 0.000 1.101 -14.102) 14.145 7.264 ( 0.000 1.101 14.102) 14.145 7.582 ( -0.000 -1.117 -4.817) 4.945 7.582 ( -0.000 -1.117 4.817) 4.945 9.487 ( -0.000 -2.670 -8.344) 8.761 9.487 ( -0.000 -2.670 8.344) 8.761 9.707 ( -0.000 -2.576 -4.041) 4.793 9.707 ( -0.000 -2.576 4.041) 4.793 10.616 ( -0.000 -2.469 -0.502) 2.520 10.616 ( -0.000 -2.469 0.502) 2.520 11.064 ( -0.000 -0.028 -7.896) 7.896 11.064 ( -0.000 -0.028 7.896) 7.896 11.716 ( -0.000 -1.495 -8.397) 8.529 11.716 ( -0.000 -1.495 8.397) 8.529 11.961 ( 0.000 3.143 -8.409) 8.977 11.961 ( 0.000 3.143 8.409) 8.977 12.830 ( 0.000 0.823 -3.427) 3.524 12.830 ( 0.000 0.823 3.427) 3.524 14.056 ( -0.000 -2.663 -2.911) 3.945 14.056 ( -0.000 -2.663 2.911) 3.945 14.603 ( 0.000 0.101 -1.694) 1.697 14.603 ( 0.000 0.101 1.694) 1.697 21.245 ( 0.000 0.146 -0.480) 0.502 21.245 ( 0.000 0.146 0.480) 0.502 21.443 ( 0.000 4.332 -8.150) 9.230 21.443 ( 0.000 4.332 8.150) 9.230 21.749 ( -0.000 -3.527 -10.042) 10.643 21.749 ( -0.000 -3.527 10.042) 10.643 23.709 ( -0.000 -8.556 -12.469) 15.122 23.709 ( -0.000 -8.556 12.469) 15.122 24.403 ( 0.000 5.682 -2.697) 6.289 24.403 ( 0.000 5.682 2.697) 6.289 27.341 ( -0.000 -2.860 -1.965) 3.470 27.341 ( -0.000 -2.860 1.965) 3.470 ======================= Grid point 256 (78/93) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 8.834 -0.000 -5.472) 10.391 1.743 ( 8.834 -0.000 5.472) 10.391 1.804 ( 10.422 -0.000 -0.332) 10.427 1.804 ( 10.422 -0.000 0.332) 10.427 2.035 ( 0.624 -0.000 -2.708) 2.779 2.035 ( 0.624 -0.000 2.708) 2.779 2.366 ( 1.171 -0.000 -0.663) 1.345 2.366 ( 1.171 -0.000 0.663) 1.345 2.448 ( 0.766 -0.000 -3.762) 3.839 2.448 ( 0.766 -0.000 3.762) 3.839 2.566 ( -0.776 0.000 -0.805) 1.118 2.566 ( -0.776 0.000 0.805) 1.118 2.785 ( -2.040 0.000 -4.871) 5.281 2.785 ( -2.040 0.000 4.871) 5.281 3.079 ( 5.107 -0.000 -8.911) 10.271 3.079 ( 5.107 -0.000 8.911) 10.271 3.229 ( -6.400 0.000 -1.064) 6.488 3.229 ( -6.400 0.000 1.064) 6.488 3.409 ( 5.586 -0.000 -0.774) 5.640 3.409 ( 5.586 -0.000 0.774) 5.640 3.449 ( 11.298 -0.000 -5.325) 12.490 3.449 ( 11.298 -0.000 5.325) 12.490 3.838 ( 0.346 -0.000 -8.785) 8.792 3.838 ( 0.346 -0.000 8.785) 8.792 4.444 ( 4.508 -0.000 -5.664) 7.239 4.444 ( 4.508 -0.000 5.664) 7.239 4.759 ( 4.432 -0.000 -6.296) 7.700 4.759 ( 4.432 -0.000 6.296) 7.700 5.352 ( 11.869 -0.000 -3.965) 12.514 5.352 ( 11.869 -0.000 3.965) 12.514 5.710 ( -6.354 0.000 -9.158) 11.147 5.710 ( -6.354 0.000 9.158) 11.147 6.745 ( -2.405 0.000 -6.257) 6.704 6.745 ( -2.405 0.000 6.257) 6.704 6.871 ( 7.374 -0.000 -14.793) 16.530 6.871 ( 7.374 -0.000 14.793) 16.530 8.317 ( 30.815 -0.000 -1.426) 30.848 8.317 ( 30.815 -0.000 1.426) 30.848 8.502 ( 3.980 -0.000 -6.474) 7.599 8.502 ( 3.980 -0.000 6.474) 7.599 8.726 ( 7.676 -0.000 -11.963) 14.214 8.726 ( 7.676 -0.000 11.963) 14.214 8.919 ( -1.644 0.000 -7.065) 7.253 8.919 ( -1.644 0.000 7.065) 7.253 9.171 ( 8.350 -0.000 -9.691) 12.792 9.171 ( 8.350 -0.000 9.691) 12.792 10.288 ( -39.755 0.000 -3.035) 39.871 10.288 ( -39.755 0.000 3.035) 39.871 11.454 ( 7.447 -0.000 -11.704) 13.872 11.454 ( 7.447 -0.000 11.704) 13.872 11.634 ( -3.318 0.000 -8.790) 9.395 11.634 ( -3.318 0.000 8.790) 9.395 11.919 ( -1.077 0.000 -17.925) 17.958 11.919 ( -1.077 0.000 17.925) 17.958 12.132 ( 6.287 -0.000 -16.032) 17.220 12.132 ( 6.287 -0.000 16.032) 17.220 14.602 ( 14.099 -0.000 -4.825) 14.902 14.602 ( 14.099 -0.000 4.825) 14.902 14.872 ( -9.528 0.000 -2.990) 9.986 14.872 ( -9.528 0.000 2.990) 9.986 21.210 ( -1.203 0.000 -0.428) 1.277 21.210 ( -1.203 0.000 0.428) 1.277 21.614 ( 7.819 -0.000 -8.348) 11.438 21.614 ( 7.819 -0.000 8.348) 11.438 21.736 ( 0.223 -0.000 -2.793) 2.802 21.736 ( 0.223 -0.000 2.793) 2.802 22.617 ( -18.900 0.000 -0.737) 18.914 22.617 ( -18.900 0.000 0.737) 18.914 26.043 ( 22.021 -0.000 -4.474) 22.471 26.043 ( 22.021 -0.000 4.474) 22.471 26.624 ( -15.917 0.000 -0.789) 15.937 26.624 ( -15.917 0.000 0.789) 15.937 ======================= Grid point 258 (79/93) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -1.077 -0.418 -1.185) 1.655 1.799 ( -1.077 -0.418 1.185) 1.655 1.963 ( 6.300 -0.564 -3.130) 7.057 1.963 ( 6.300 -0.564 3.130) 7.057 2.048 ( 0.857 0.197 -3.571) 3.678 2.048 ( 0.857 0.197 3.571) 3.678 2.364 ( 0.070 3.070 -3.007) 4.298 2.364 ( 0.070 3.070 3.007) 4.298 2.462 ( 1.866 1.621 -7.784) 8.167 2.462 ( 1.866 1.621 7.784) 8.167 2.596 ( 3.464 -0.911 -7.696) 8.488 2.596 ( 3.464 -0.911 7.696) 8.488 2.764 ( -0.333 -0.714 -3.239) 3.334 2.764 ( -0.333 -0.714 3.239) 3.334 3.093 ( -8.541 -2.078 -5.187) 10.206 3.093 ( -8.541 -2.078 5.187) 10.206 3.139 ( 1.173 -0.804 -7.467) 7.601 3.139 ( 1.173 -0.804 7.467) 7.601 3.476 ( 2.506 -0.327 -1.223) 2.807 3.476 ( 2.506 -0.327 1.223) 2.807 3.640 ( 8.180 -0.443 -3.733) 9.003 3.640 ( 8.180 -0.443 3.733) 9.003 3.836 ( 0.996 2.786 -6.384) 7.037 3.836 ( 0.996 2.786 6.384) 7.037 4.475 ( -0.991 -1.998 -3.895) 4.488 4.475 ( -0.991 -1.998 3.895) 4.488 4.808 ( 1.595 2.263 -5.326) 6.003 4.808 ( 1.595 2.263 5.326) 6.003 5.499 ( 4.818 3.644 -3.564) 7.014 5.499 ( 4.818 3.644 3.564) 7.014 5.623 ( -3.276 -3.973 -3.459) 6.203 5.623 ( -3.276 -3.973 3.459) 6.203 6.667 ( -7.097 -1.992 -5.596) 9.255 6.667 ( -7.097 -1.992 5.596) 9.255 6.974 ( 4.391 1.717 -17.006) 17.647 6.974 ( 4.391 1.717 17.006) 17.647 8.371 ( -13.099 -2.279 -4.301) 13.974 8.371 ( -13.099 -2.279 4.301) 13.974 8.689 ( -4.165 0.007 -7.462) 8.546 8.689 ( -4.165 0.007 7.462) 8.546 8.769 ( 6.000 0.935 -0.297) 6.079 8.769 ( 6.000 0.935 0.297) 6.079 8.910 ( 4.014 0.720 -13.837) 14.425 8.910 ( 4.014 0.720 13.837) 14.425 9.584 ( 19.537 -0.096 -6.139) 20.479 9.584 ( 19.537 -0.096 6.139) 20.479 9.628 ( -18.660 0.076 -6.449) 19.744 9.628 ( -18.660 0.076 6.449) 19.744 11.511 ( -4.615 2.967 -5.157) 7.530 11.511 ( -4.615 2.967 5.157) 7.530 11.566 ( 1.616 0.862 -12.935) 13.064 11.566 ( 1.616 0.862 12.935) 13.064 11.888 ( -4.847 -5.040 -17.461) 18.809 11.888 ( -4.847 -5.040 17.461) 18.809 12.251 ( 6.788 1.161 -15.939) 17.363 12.251 ( 6.788 1.161 15.939) 17.363 14.627 ( -15.497 -0.523 -4.488) 16.142 14.627 ( -15.497 -0.523 4.488) 16.142 14.846 ( 11.231 0.889 -4.309) 12.062 14.846 ( 11.231 0.889 4.309) 12.062 21.216 ( 1.090 -1.364 -2.999) 3.470 21.216 ( 1.090 -1.364 2.999) 3.470 21.718 ( 3.797 2.423 -3.901) 5.959 21.718 ( 3.797 2.423 3.901) 5.959 21.783 ( 5.262 -0.246 -4.567) 6.972 21.783 ( 5.262 -0.246 4.567) 6.972 22.376 ( -7.762 -0.564 -2.400) 8.144 22.376 ( -7.762 -0.564 2.400) 8.144 26.245 ( -14.138 -1.120 -1.694) 14.283 26.245 ( -14.138 -1.120 1.694) 14.283 26.437 ( 10.042 0.985 -2.617) 10.424 26.437 ( 10.042 0.985 2.617) 10.424 ======================= Grid point 260 (80/93) ======================= q-point: (-0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -4.213 -0.655 -0.892) 4.356 1.752 ( -4.213 -0.655 0.892) 4.356 1.992 ( -2.880 0.994 -4.436) 5.381 1.992 ( -2.880 0.994 4.436) 5.381 2.072 ( 2.156 -0.536 -2.414) 3.281 2.072 ( 2.156 -0.536 2.414) 3.281 2.299 ( -2.084 6.747 -2.686) 7.555 2.299 ( -2.084 6.747 2.686) 7.555 2.516 ( 3.891 -0.345 -2.646) 4.719 2.516 ( 3.891 -0.345 2.646) 4.719 2.642 ( 2.856 3.998 -2.603) 5.560 2.642 ( 2.856 3.998 2.603) 5.560 2.786 ( 1.477 -1.243 -1.617) 2.518 2.786 ( 1.477 -1.243 1.617) 2.518 2.992 ( -6.091 -5.183 -6.678) 10.419 2.992 ( -6.091 -5.183 6.678) 10.419 3.169 ( 0.064 -4.234 -9.118) 10.053 3.169 ( 0.064 -4.234 9.118) 10.053 3.492 ( -0.496 1.101 -0.410) 1.275 3.492 ( -0.496 1.101 0.410) 1.275 3.688 ( -1.255 2.879 -1.638) 3.542 3.688 ( -1.255 2.879 1.638) 3.542 3.833 ( 2.334 5.122 -4.443) 7.171 3.833 ( 2.334 5.122 4.443) 7.171 4.472 ( -2.024 -4.195 -2.256) 5.175 4.472 ( -2.024 -4.195 2.256) 5.175 4.747 ( -6.155 4.045 -3.465) 8.140 4.747 ( -6.155 4.045 3.465) 8.140 5.432 ( -6.557 3.761 -3.962) 8.534 5.432 ( -6.557 3.761 3.962) 8.534 5.667 ( 1.132 -3.353 -6.009) 6.973 5.667 ( 1.132 -3.353 6.009) 6.973 6.549 ( -9.309 -4.122 -7.102) 12.413 6.549 ( -9.309 -4.122 7.102) 12.413 6.993 ( 0.637 2.355 -16.265) 16.447 6.993 ( 0.637 2.355 16.265) 16.447 8.116 ( -20.096 -3.974 -2.062) 20.589 8.116 ( -20.096 -3.974 2.062) 20.589 8.396 ( -22.946 -0.412 -6.537) 23.863 8.396 ( -22.946 -0.412 6.537) 23.863 8.794 ( -9.401 -0.983 -8.882) 12.971 8.794 ( -9.401 -0.983 8.882) 12.971 8.994 ( 6.286 2.125 -7.639) 10.119 8.994 ( 6.286 2.125 7.639) 10.119 9.129 ( -16.277 -0.264 -8.797) 18.504 9.129 ( -16.277 -0.264 8.797) 18.504 10.303 ( 41.705 0.174 -2.141) 41.760 10.303 ( 41.705 0.174 2.141) 41.760 11.367 ( -7.680 1.250 -3.887) 8.698 11.367 ( -7.680 1.250 3.887) 8.698 11.581 ( 1.402 3.118 -5.611) 6.570 11.581 ( 1.402 3.118 5.611) 6.570 11.848 ( -6.438 -8.077 -11.957) 15.800 11.848 ( -6.438 -8.077 11.957) 15.800 12.314 ( 2.335 3.227 -14.159) 14.709 12.314 ( 2.335 3.227 14.159) 14.709 14.342 ( -17.773 -2.373 -5.716) 18.819 14.342 ( -17.773 -2.373 5.716) 18.819 14.995 ( 6.546 1.510 -3.490) 7.570 14.995 ( 6.546 1.510 3.490) 7.570 21.265 ( 2.658 -2.028 -5.194) 6.177 21.265 ( 2.658 -2.028 5.194) 6.177 21.726 ( -0.700 3.041 -2.053) 3.735 21.726 ( -0.700 3.041 2.053) 3.735 21.826 ( 2.488 4.378 -4.599) 6.819 21.826 ( 2.488 4.378 4.599) 6.819 22.422 ( 10.269 -4.191 -6.327) 12.769 22.422 ( 10.269 -4.191 6.327) 12.769 25.864 ( -27.105 -2.342 -2.262) 27.300 25.864 ( -27.105 -2.342 2.262) 27.300 26.678 ( 14.322 0.713 -1.652) 14.435 26.678 ( 14.322 0.713 1.652) 14.435 ======================= Grid point 262 (81/93) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -5.246 0.676 -1.506) 5.499 1.673 ( -5.246 0.676 1.506) 5.499 1.884 ( -7.558 1.777 -5.428) 9.473 1.884 ( -7.558 1.777 5.428) 9.473 2.097 ( 1.332 4.137 -2.017) 4.792 2.097 ( 1.332 4.137 2.017) 4.792 2.217 ( -0.626 4.149 -2.874) 5.086 2.217 ( -0.626 4.149 2.874) 5.086 2.534 ( -1.734 1.210 -1.742) 2.739 2.534 ( -1.734 1.210 1.742) 2.739 2.647 ( 1.122 3.239 -0.829) 3.527 2.647 ( 1.122 3.239 0.829) 3.527 2.825 ( 2.004 -1.131 -4.701) 5.235 2.825 ( 2.004 -1.131 4.701) 5.235 2.975 ( -1.883 -5.680 -5.222) 7.942 2.975 ( -1.883 -5.680 5.222) 7.942 3.207 ( -1.319 -4.581 -8.021) 9.330 3.207 ( -1.319 -4.581 8.021) 9.330 3.433 ( -3.191 4.682 -3.240) 6.528 3.433 ( -3.191 4.682 3.240) 6.528 3.597 ( -4.131 4.709 -3.314) 7.087 3.597 ( -4.131 4.709 3.314) 7.087 3.799 ( -0.252 6.421 -3.630) 7.381 3.799 ( -0.252 6.421 3.630) 7.381 4.451 ( -9.128 -0.135 -2.208) 9.393 4.451 ( -9.128 -0.135 2.208) 9.393 4.547 ( -8.960 -0.477 -2.381) 9.283 4.547 ( -8.960 -0.477 2.381) 9.283 5.201 ( -17.399 2.677 -4.481) 18.165 5.201 ( -17.399 2.677 4.481) 18.165 5.702 ( 1.115 -1.837 -8.423) 8.693 5.702 ( 1.115 -1.837 8.423) 8.693 6.446 ( -6.822 -5.357 -7.165) 11.251 6.446 ( -6.822 -5.357 7.165) 11.251 6.986 ( 1.256 1.730 -14.563) 14.719 6.986 ( 1.256 1.730 14.563) 14.719 7.705 ( -29.721 -0.714 -1.577) 29.772 7.705 ( -29.721 -0.714 1.577) 29.772 8.050 ( -18.675 -3.770 -3.849) 19.437 8.050 ( -18.675 -3.770 3.849) 19.437 8.479 ( -24.264 -1.867 -7.179) 25.372 8.479 ( -24.264 -1.867 7.179) 25.372 9.047 ( 1.933 -1.679 -7.873) 8.279 9.047 ( 1.933 -1.679 7.873) 8.279 9.107 ( 7.835 0.425 -3.085) 8.431 9.107 ( 7.835 0.425 3.085) 8.431 10.837 ( 12.371 -0.904 -3.494) 12.887 10.837 ( 12.371 -0.904 3.494) 12.887 11.306 ( 4.452 2.257 -1.675) 5.265 11.306 ( 4.452 2.257 1.675) 5.265 11.608 ( 5.940 -1.175 -3.359) 6.924 11.608 ( 5.940 -1.175 3.359) 6.924 11.822 ( -1.266 -5.068 -8.207) 9.728 11.822 ( -1.266 -5.068 8.207) 9.728 12.272 ( -2.893 4.372 -10.936) 12.128 12.272 ( -2.893 4.372 10.936) 12.128 14.101 ( -12.697 -3.724 -5.069) 14.169 14.101 ( -12.697 -3.724 5.069) 14.169 15.030 ( -1.231 1.354 -2.108) 2.791 15.030 ( -1.231 1.354 2.108) 2.791 21.330 ( 2.626 -1.874 -5.909) 6.732 21.330 ( 2.626 -1.874 5.909) 6.732 21.640 ( -5.594 2.265 -0.763) 6.083 21.640 ( -5.594 2.265 0.763) 6.083 21.840 ( 5.160 8.104 -6.028) 11.342 21.840 ( 5.160 8.104 6.028) 11.342 22.723 ( 17.425 -6.716 -7.927) 20.288 22.723 ( 17.425 -6.716 7.927) 20.288 25.403 ( -29.100 -3.624 -2.835) 29.461 25.403 ( -29.100 -3.624 2.835) 29.461 26.895 ( 11.686 0.344 -1.622) 11.803 26.895 ( 11.686 0.344 1.622) 11.803 ======================= Grid point 264 (82/93) ======================= q-point: (-0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -7.394 4.112 -7.271) 11.155 1.546 ( -7.394 4.112 7.271) 11.155 1.719 ( -7.599 6.813 -8.353) 13.189 1.719 ( -7.599 6.813 8.353) 13.189 2.051 ( -0.192 5.780 -4.719) 7.465 2.051 ( -0.192 5.780 4.719) 7.465 2.200 ( -0.790 0.342 -1.790) 1.986 2.200 ( -0.790 0.342 1.790) 1.986 2.461 ( -6.367 -0.995 -5.680) 8.591 2.461 ( -6.367 -0.995 5.680) 8.591 2.594 ( -3.719 3.641 -3.312) 6.169 2.594 ( -3.719 3.641 3.312) 6.169 2.876 ( 1.958 -1.916 -4.070) 4.906 2.876 ( 1.958 -1.916 4.070) 4.906 2.986 ( -2.242 -0.382 -2.690) 3.523 2.986 ( -2.242 -0.382 2.690) 3.523 3.147 ( -4.229 4.131 -5.036) 7.766 3.147 ( -4.229 4.131 5.036) 7.766 3.337 ( -3.719 5.513 -3.858) 7.688 3.337 ( -3.719 5.513 3.858) 7.688 3.503 ( -2.632 1.356 -6.480) 7.124 3.503 ( -2.632 1.356 6.480) 7.124 3.747 ( 0.321 4.247 -3.525) 5.529 3.747 ( 0.321 4.247 3.525) 5.529 4.102 ( -21.709 3.038 -6.425) 22.843 4.102 ( -21.709 3.038 6.425) 22.843 4.531 ( -1.947 -3.821 -6.732) 7.982 4.531 ( -1.947 -3.821 6.732) 7.982 4.844 ( -19.881 0.810 -6.054) 20.798 4.844 ( -19.881 0.810 6.054) 20.798 5.765 ( 4.964 -2.023 -8.156) 9.760 5.765 ( 4.964 -2.023 8.156) 9.760 6.417 ( -2.045 -5.166 -5.984) 8.165 6.417 ( -2.045 -5.166 5.984) 8.165 6.985 ( -3.392 2.122 -11.342) 12.027 6.985 ( -3.392 2.122 11.342) 12.027 7.227 ( -21.473 -1.333 -7.337) 22.731 7.227 ( -21.473 -1.333 7.337) 22.731 7.773 ( -18.491 -3.520 -5.986) 19.752 7.773 ( -18.491 -3.520 5.986) 19.752 8.070 ( -24.850 -2.853 -3.074) 25.201 8.070 ( -24.850 -2.853 3.074) 25.201 9.156 ( 7.698 -3.698 -6.330) 10.630 9.156 ( 7.698 -3.698 6.330) 10.630 9.275 ( 11.272 -1.113 -2.072) 11.515 9.275 ( 11.272 -1.113 2.072) 11.515 10.802 ( -11.121 -3.741 -5.037) 12.769 10.802 ( -11.121 -3.741 5.037) 12.769 11.293 ( -5.964 1.120 -4.419) 7.507 11.293 ( -5.964 1.120 4.419) 7.507 11.695 ( -1.376 -3.034 -6.930) 7.689 11.695 ( -1.376 -3.034 6.930) 7.689 12.047 ( 13.623 4.368 -6.693) 15.795 12.047 ( 13.623 4.368 6.693) 15.795 12.232 ( 12.325 -0.016 -1.500) 12.416 12.232 ( 12.325 -0.016 1.500) 12.416 13.984 ( -4.817 -3.462 -2.697) 6.516 13.984 ( -4.817 -3.462 2.697) 6.516 14.930 ( -9.005 0.919 -0.579) 9.070 14.930 ( -9.005 0.919 0.579) 9.070 21.370 ( 0.348 0.408 -4.479) 4.511 21.370 ( 0.348 0.408 4.479) 4.511 21.525 ( -6.327 -1.283 -0.956) 6.526 21.525 ( -6.327 -1.283 0.956) 6.526 21.846 ( 4.327 9.942 -7.915) 13.425 21.846 ( 4.327 9.942 7.915) 13.425 23.087 ( 16.546 -8.324 -9.735) 20.924 23.087 ( 16.546 -8.324 9.735) 20.924 24.961 ( -25.322 -3.218 -3.556) 25.772 24.961 ( -25.322 -3.218 3.556) 25.772 27.073 ( 9.228 -0.230 -2.534) 9.572 27.073 ( 9.228 -0.230 2.534) 9.572 ======================= Grid point 266 (83/93) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -9.235 7.333 -13.920) 18.243 1.353 ( -9.235 7.333 13.920) 18.243 1.502 ( -6.481 13.414 -14.120) 20.526 1.502 ( -6.481 13.414 14.120) 20.526 2.010 ( -0.463 2.778 -4.327) 5.163 2.010 ( -0.463 2.778 4.327) 5.163 2.156 ( -3.382 1.678 -2.441) 4.496 2.156 ( -3.382 1.678 2.441) 4.496 2.354 ( -6.833 -3.093 -5.180) 9.115 2.354 ( -6.833 -3.093 5.180) 9.115 2.474 ( -6.106 3.484 -9.842) 12.095 2.474 ( -6.106 3.484 9.842) 12.095 2.830 ( -1.286 13.620 -12.306) 18.401 2.830 ( -1.286 13.620 12.306) 18.401 2.954 ( 0.516 -1.921 -2.156) 2.933 2.954 ( 0.516 -1.921 2.156) 2.933 3.068 ( -5.442 5.512 -3.021) 8.314 3.068 ( -5.442 5.512 3.021) 8.314 3.200 ( -2.841 2.506 -4.255) 5.697 3.200 ( -2.841 2.506 4.255) 5.697 3.490 ( 0.651 -0.891 -6.310) 6.406 3.490 ( 0.651 -0.891 6.310) 6.406 3.674 ( -9.402 -0.509 -7.875) 12.275 3.674 ( -9.402 -0.509 7.875) 12.275 3.871 ( 0.472 1.064 -5.146) 5.276 3.871 ( 0.472 1.064 5.146) 5.276 4.421 ( -13.245 -0.581 -5.776) 14.461 4.421 ( -13.245 -0.581 5.776) 14.461 4.648 ( -2.304 -0.914 -3.471) 4.265 4.648 ( -2.304 -0.914 3.471) 4.265 5.910 ( 8.527 -3.618 -7.510) 11.925 5.910 ( 8.527 -3.618 7.510) 11.925 6.457 ( 1.169 -4.918 -5.418) 7.410 6.457 ( 1.169 -4.918 5.418) 7.410 6.707 ( -18.308 -0.218 -3.068) 18.565 6.707 ( -18.308 -0.218 3.068) 18.565 7.170 ( 4.979 -1.257 -12.594) 13.601 7.170 ( 4.979 -1.257 12.594) 13.601 7.487 ( -16.408 -1.967 -8.746) 18.697 7.487 ( -16.408 -1.967 8.746) 18.697 7.719 ( -18.072 -2.806 -1.487) 18.349 7.719 ( -18.072 -2.806 1.487) 18.349 9.339 ( 8.390 -3.734 -7.830) 12.069 9.339 ( 8.390 -3.734 7.830) 12.069 9.491 ( 10.691 -3.275 -5.957) 12.669 9.491 ( 10.691 -3.275 5.957) 12.669 10.633 ( -11.299 -4.482 -2.086) 12.334 10.633 ( -11.299 -4.482 2.086) 12.334 11.147 ( -8.528 0.045 -2.958) 9.027 11.147 ( -8.528 0.045 2.958) 9.027 11.691 ( -0.616 -1.125 -9.669) 9.753 11.691 ( -0.616 -1.125 9.669) 9.753 12.034 ( -1.206 2.717 -10.049) 10.479 12.034 ( -1.206 2.717 10.049) 10.479 12.648 ( 23.087 0.989 -2.294) 23.221 12.648 ( 23.087 0.989 2.294) 23.221 13.980 ( 0.705 -2.235 -1.347) 2.703 13.980 ( 0.705 -2.235 1.347) 2.703 14.733 ( -11.829 0.438 -1.250) 11.903 14.733 ( -11.829 0.438 1.250) 11.903 21.309 ( -4.967 1.567 -0.809) 5.270 21.309 ( -4.967 1.567 0.809) 5.270 21.482 ( -2.053 -3.724 -3.166) 5.302 21.482 ( -2.053 -3.724 3.166) 5.302 21.814 ( 2.121 9.922 -10.137) 14.342 21.814 ( 2.121 9.922 10.137) 14.342 23.394 ( 9.526 -9.161 -12.182) 17.974 23.394 ( 9.526 -9.161 12.182) 17.974 24.623 ( -15.074 -0.266 -3.877) 15.567 24.623 ( -15.074 -0.266 3.877) 15.567 27.213 ( 6.086 -1.492 -3.623) 7.238 27.213 ( 6.086 -1.492 3.623) 7.238 ======================= Grid point 268 (84/93) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 9.007 -18.288) 20.385 1.170 ( 0.000 9.007 18.288) 20.385 1.316 ( 0.000 16.178 -18.297) 24.423 1.316 ( 0.000 16.178 18.297) 24.423 1.984 ( 0.000 2.232 -2.556) 3.393 1.984 ( 0.000 2.232 2.556) 3.393 2.075 ( 0.000 6.256 -4.148) 7.506 2.075 ( 0.000 6.256 4.148) 7.506 2.338 ( -0.000 -5.245 -6.720) 8.525 2.338 ( -0.000 -5.245 6.720) 8.525 2.366 ( 0.000 4.243 -17.487) 17.995 2.366 ( 0.000 4.243 17.487) 17.995 2.711 ( 0.000 12.094 -12.500) 17.393 2.711 ( 0.000 12.094 12.500) 17.393 2.911 ( 0.000 8.773 -3.662) 9.506 2.911 ( 0.000 8.773 3.662) 9.506 2.977 ( -0.000 -0.853 -6.592) 6.647 2.977 ( -0.000 -0.853 6.592) 6.647 3.207 ( -0.000 -2.993 -4.927) 5.765 3.207 ( -0.000 -2.993 4.927) 5.765 3.531 ( -0.000 -1.704 -2.750) 3.235 3.531 ( -0.000 -1.704 2.750) 3.235 3.563 ( -0.000 -0.190 -13.094) 13.096 3.563 ( -0.000 -0.190 13.094) 13.096 3.910 ( -0.000 -0.134 -9.451) 9.452 3.910 ( -0.000 -0.134 9.451) 9.452 4.272 ( 0.000 0.703 -7.004) 7.039 4.272 ( 0.000 0.703 7.004) 7.039 4.648 ( -0.000 -0.697 -3.784) 3.848 4.648 ( -0.000 -0.697 3.784) 3.848 6.050 ( -0.000 -5.682 -8.834) 10.504 6.050 ( -0.000 -5.682 8.834) 10.504 6.477 ( 0.000 0.593 -1.745) 1.843 6.477 ( 0.000 0.593 1.745) 1.843 6.584 ( -0.000 -8.061 -1.711) 8.240 6.584 ( -0.000 -8.061 1.711) 8.240 7.290 ( 0.000 1.682 -12.771) 12.882 7.290 ( 0.000 1.682 12.771) 12.882 7.295 ( -0.000 -1.742 -15.265) 15.364 7.295 ( -0.000 -1.742 15.265) 15.364 7.556 ( -0.000 -1.781 -3.677) 4.086 7.556 ( -0.000 -1.781 3.677) 4.086 9.449 ( -0.000 -2.343 -9.601) 9.883 9.449 ( -0.000 -2.343 9.601) 9.883 9.635 ( -0.000 -4.928 -7.500) 8.975 9.635 ( -0.000 -4.928 7.500) 8.975 10.558 ( -0.000 -4.109 -0.408) 4.129 10.558 ( -0.000 -4.109 0.408) 4.129 11.063 ( -0.000 -0.030 -8.012) 8.012 11.063 ( -0.000 -0.030 8.012) 8.012 11.695 ( -0.000 -0.906 -8.947) 8.993 11.695 ( -0.000 -0.906 8.947) 8.993 12.008 ( 0.000 1.990 -9.139) 9.353 12.008 ( 0.000 1.990 9.139) 9.353 12.851 ( 0.000 1.541 -2.024) 2.544 12.851 ( 0.000 1.541 2.024) 2.544 14.013 ( -0.000 -1.913 -0.861) 2.098 14.013 ( -0.000 -1.913 0.861) 2.098 14.606 ( 0.000 0.170 -1.808) 1.816 14.606 ( 0.000 0.170 1.808) 1.816 21.248 ( 0.000 0.236 -0.613) 0.656 21.248 ( 0.000 0.236 0.613) 0.656 21.486 ( -0.000 -0.947 -5.012) 5.101 21.486 ( -0.000 -0.947 5.012) 5.101 21.757 ( 0.000 6.387 -11.934) 13.536 21.757 ( 0.000 6.387 11.934) 13.536 23.553 ( -0.000 -9.104 -13.483) 16.269 23.553 ( -0.000 -9.104 13.483) 16.269 24.478 ( 0.000 2.677 -3.501) 4.408 24.478 ( 0.000 2.677 3.501) 4.408 27.289 ( -0.000 -2.749 -3.789) 4.681 27.289 ( -0.000 -2.749 3.789) 4.681 ======================= Grid point 278 (85/93) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -3.997 0.000 -1.047) 4.132 1.746 ( -3.997 0.000 1.047) 4.132 1.998 ( -3.005 0.000 -6.830) 7.461 1.998 ( -3.005 0.000 6.830) 7.461 2.068 ( 2.704 -0.000 -0.403) 2.733 2.068 ( 2.704 -0.000 0.403) 2.733 2.375 ( -0.718 0.000 -0.182) 0.741 2.375 ( -0.718 0.000 0.182) 0.741 2.519 ( 3.487 -0.000 -4.697) 5.850 2.519 ( 3.487 -0.000 4.697) 5.850 2.672 ( 4.100 -0.000 -6.817) 7.955 2.672 ( 4.100 -0.000 6.817) 7.955 2.774 ( 2.272 -0.000 -2.663) 3.500 2.774 ( 2.272 -0.000 2.663) 3.500 2.924 ( -9.020 0.000 -9.600) 13.172 2.924 ( -9.020 0.000 9.600) 13.172 3.144 ( 0.235 -0.000 -8.189) 8.193 3.144 ( 0.235 -0.000 8.189) 8.193 3.499 ( 0.250 -0.000 -0.288) 0.382 3.499 ( 0.250 -0.000 0.288) 0.382 3.712 ( 0.135 -0.000 -1.897) 1.902 3.712 ( 0.135 -0.000 1.897) 1.902 3.887 ( 3.007 -0.000 -3.619) 4.705 3.887 ( 3.007 -0.000 3.619) 4.705 4.431 ( -2.457 0.000 -4.000) 4.694 4.431 ( -2.457 0.000 4.000) 4.694 4.784 ( -6.540 0.000 -3.778) 7.553 4.784 ( -6.540 0.000 3.778) 7.553 5.476 ( -8.141 0.000 -2.843) 8.623 5.476 ( -8.141 0.000 2.843) 8.623 5.627 ( 3.307 -0.000 -5.294) 6.242 5.627 ( 3.307 -0.000 5.294) 6.242 6.511 ( -9.450 0.000 -6.003) 11.196 6.511 ( -9.450 0.000 6.003) 11.196 7.014 ( -0.059 0.000 -17.096) 17.097 7.014 ( -0.059 0.000 17.096) 17.097 8.079 ( -18.828 0.000 -1.724) 18.907 8.079 ( -18.828 0.000 1.724) 18.907 8.393 ( -23.832 0.000 -5.887) 24.548 8.393 ( -23.832 0.000 5.887) 24.548 8.784 ( -9.799 0.000 -9.257) 13.480 8.784 ( -9.799 0.000 9.257) 13.480 9.013 ( 5.706 -0.000 -7.722) 9.601 9.013 ( 5.706 -0.000 7.722) 9.601 9.127 ( -17.006 0.000 -8.701) 19.103 9.127 ( -17.006 0.000 8.701) 19.103 10.305 ( 41.900 -0.000 -2.026) 41.949 10.305 ( 41.900 -0.000 2.026) 41.949 11.380 ( -8.201 0.000 -6.146) 10.248 11.380 ( -8.201 0.000 6.146) 10.248 11.639 ( 3.439 -0.000 -10.904) 11.434 11.639 ( 3.439 -0.000 10.904) 11.434 11.744 ( -8.425 0.000 -19.743) 21.466 11.744 ( -8.425 0.000 19.743) 21.466 12.342 ( 2.647 -0.000 -15.348) 15.574 12.342 ( 2.647 -0.000 15.348) 15.574 14.322 ( -18.101 0.000 -5.390) 18.887 14.322 ( -18.101 0.000 5.390) 18.887 15.009 ( 6.272 -0.000 -3.348) 7.110 15.009 ( 6.272 -0.000 3.348) 7.110 21.245 ( 2.805 -0.000 -5.584) 6.249 21.245 ( 2.805 -0.000 5.584) 6.249 21.753 ( -1.743 0.000 -2.491) 3.041 21.753 ( -1.743 0.000 2.491) 3.041 21.873 ( 5.169 -0.000 -6.011) 7.928 21.873 ( 5.169 -0.000 6.011) 7.928 22.380 ( 8.791 -0.000 -7.717) 11.697 22.380 ( 8.791 -0.000 7.717) 11.697 25.842 ( -27.340 0.000 -2.065) 27.418 25.842 ( -27.340 0.000 2.065) 27.418 26.684 ( 13.952 -0.000 -1.344) 14.017 26.684 ( 13.952 -0.000 1.344) 14.017 ======================= Grid point 280 (86/93) ======================= q-point: (-0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -3.565 0.147 -0.356) 3.586 1.680 ( -3.565 0.147 0.356) 3.586 1.902 ( -6.891 0.522 -5.511) 8.839 1.902 ( -6.891 0.522 5.511) 8.839 2.118 ( 2.475 -0.039 -0.632) 2.555 2.118 ( 2.475 -0.039 0.632) 2.555 2.338 ( -0.303 6.315 -3.594) 7.272 2.338 ( -0.303 6.315 3.594) 7.272 2.545 ( -1.636 -0.147 -0.355) 1.680 2.545 ( -1.636 -0.147 0.355) 1.680 2.688 ( -1.704 0.883 -2.269) 2.972 2.688 ( -1.704 0.883 2.269) 2.972 2.801 ( -0.857 -0.429 -5.735) 5.815 2.801 ( -0.857 -0.429 5.735) 5.815 2.871 ( 1.489 -5.156 -3.877) 6.621 2.871 ( 1.489 -5.156 3.877) 6.621 3.160 ( 1.523 -0.811 -9.242) 9.402 3.160 ( 1.523 -0.811 9.242) 9.402 3.482 ( -1.601 1.161 -1.169) 2.297 3.482 ( -1.601 1.161 1.169) 2.297 3.662 ( -4.260 2.202 -1.049) 4.909 3.662 ( -4.260 2.202 1.049) 4.909 3.903 ( 0.504 4.089 -4.429) 6.049 3.903 ( 0.504 4.089 4.429) 6.049 4.408 ( -1.766 -2.563 -3.138) 4.420 4.408 ( -1.766 -2.563 3.138) 4.420 4.570 ( -17.255 1.347 -0.911) 17.331 4.570 ( -17.255 1.347 0.911) 17.331 5.239 ( -19.233 1.318 -3.164) 19.536 5.239 ( -19.233 1.318 3.164) 19.536 5.678 ( 2.641 -0.772 -6.893) 7.422 5.678 ( 2.641 -0.772 6.893) 7.422 6.378 ( -6.276 -2.149 -5.213) 8.437 6.378 ( -6.276 -2.149 5.213) 8.437 7.004 ( 0.057 0.442 -15.450) 15.456 7.004 ( 0.057 0.442 15.450) 15.456 7.695 ( -27.723 -0.333 -0.574) 27.731 7.695 ( -27.723 -0.333 0.574) 27.731 8.007 ( -19.044 -1.189 -1.554) 19.145 8.007 ( -19.044 -1.189 1.554) 19.145 8.453 ( -25.057 -0.894 -8.010) 26.321 8.453 ( -25.057 -0.894 8.010) 26.321 9.016 ( -0.478 -1.174 -6.120) 6.250 9.016 ( -0.478 -1.174 6.120) 6.250 9.120 ( 7.312 0.492 -5.217) 8.996 9.120 ( 7.312 0.492 5.217) 8.996 10.826 ( 9.992 -0.327 -3.072) 10.459 10.826 ( 9.992 -0.327 3.072) 10.459 11.354 ( 9.868 2.472 -1.908) 10.350 11.354 ( 9.868 2.472 1.908) 10.350 11.576 ( -6.401 -1.955 -12.467) 14.150 11.576 ( -6.401 -1.955 12.467) 14.150 11.754 ( 8.348 -2.145 -8.390) 12.028 11.754 ( 8.348 -2.145 8.390) 12.028 12.326 ( -3.690 1.670 -11.177) 11.888 12.326 ( -3.690 1.670 11.177) 11.888 14.058 ( -12.232 -1.237 -3.562) 12.800 14.058 ( -12.232 -1.237 3.562) 12.800 15.047 ( -1.670 0.544 -2.089) 2.729 15.047 ( -1.670 0.544 2.089) 2.729 21.301 ( 2.858 -1.054 -6.549) 7.222 21.301 ( 2.858 -1.054 6.549) 7.222 21.671 ( -6.494 1.065 -1.201) 6.689 21.671 ( -6.494 1.065 1.201) 6.689 21.959 ( 6.797 4.370 -7.095) 10.753 21.959 ( 6.797 4.370 7.095) 10.753 22.625 ( 16.264 -3.600 -10.303) 19.586 22.625 ( 16.264 -3.600 10.303) 19.586 25.359 ( -28.944 -1.345 -2.009) 29.045 25.359 ( -28.944 -1.345 2.009) 29.045 26.899 ( 11.292 0.102 -0.620) 11.309 26.899 ( 11.292 0.102 0.620) 11.309 ======================= Grid point 282 (87/93) ======================= q-point: (-0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -4.183 2.719 -3.515) 6.103 1.608 ( -4.183 2.719 3.515) 6.103 1.783 ( -5.338 1.631 -3.442) 6.557 1.783 ( -5.338 1.631 3.442) 6.557 2.130 ( -0.940 1.872 -2.086) 2.956 2.130 ( -0.940 1.872 2.086) 2.956 2.268 ( -0.274 7.423 -2.312) 7.780 2.268 ( -0.274 7.423 2.312) 7.780 2.448 ( -9.486 -0.597 -5.789) 11.129 2.448 ( -9.486 -0.597 5.789) 11.129 2.643 ( -3.292 1.122 -3.477) 4.918 2.643 ( -3.292 1.122 3.477) 4.918 2.797 ( -1.708 -5.711 -8.185) 10.125 2.797 ( -1.708 -5.711 8.185) 10.125 2.957 ( 3.833 -1.541 -1.322) 4.337 2.957 ( 3.833 -1.541 1.322) 4.337 3.198 ( 1.895 1.132 -8.578) 8.857 3.198 ( 1.895 1.132 8.578) 8.857 3.427 ( -2.302 3.851 -2.635) 5.203 3.427 ( -2.302 3.851 2.635) 5.203 3.551 ( -4.755 3.805 -3.718) 7.135 3.551 ( -4.755 3.805 3.718) 7.135 3.848 ( -1.217 6.027 -4.913) 7.870 3.848 ( -1.217 6.027 4.913) 7.870 4.152 ( -23.836 2.378 -4.819) 24.435 4.152 ( -23.836 2.378 4.819) 24.435 4.456 ( -0.522 -4.288 -5.372) 6.893 4.456 ( -0.522 -4.288 5.372) 6.893 4.856 ( -21.687 0.479 -5.670) 22.421 4.856 ( -21.687 0.479 5.670) 22.421 5.744 ( 4.991 -0.535 -5.890) 7.739 5.744 ( 4.991 -0.535 5.890) 7.739 6.343 ( -0.920 -3.075 -2.988) 4.385 6.343 ( -0.920 -3.075 2.988) 4.385 7.010 ( -0.865 0.833 -13.007) 13.062 7.010 ( -0.865 0.833 13.007) 13.062 7.201 ( -26.430 -1.314 -4.817) 26.898 7.201 ( -26.430 -1.314 4.817) 26.898 7.733 ( -16.014 -1.125 -7.729) 17.817 7.733 ( -16.014 -1.125 7.729) 17.817 8.021 ( -25.723 -2.420 -3.937) 26.134 8.021 ( -25.723 -2.420 3.937) 26.134 9.078 ( 4.918 -4.147 -2.569) 6.927 9.078 ( 4.918 -4.147 2.569) 6.927 9.273 ( 10.936 0.231 -1.318) 11.018 9.273 ( 10.936 0.231 1.318) 11.018 10.751 ( -12.025 -2.059 -3.903) 12.809 10.751 ( -12.025 -2.059 3.903) 12.809 11.321 ( -8.904 1.947 -6.309) 11.085 11.321 ( -8.904 1.947 6.309) 11.085 11.628 ( 2.010 -3.993 -6.754) 8.100 11.628 ( 2.010 -3.993 6.754) 8.100 12.097 ( 18.199 1.390 -5.394) 19.032 12.097 ( 18.199 1.390 5.394) 19.032 12.248 ( 7.073 1.458 -2.702) 7.710 12.248 ( 7.073 1.458 2.702) 7.710 13.942 ( -3.029 -1.498 -1.595) 3.737 13.942 ( -3.029 -1.498 1.595) 3.737 14.944 ( -9.444 0.638 -0.547) 9.481 14.944 ( -9.444 0.638 0.547) 9.481 21.354 ( 1.842 -1.489 -5.544) 6.029 21.354 ( 1.842 -1.489 5.544) 6.029 21.525 ( -9.370 0.732 -0.916) 9.443 21.525 ( -9.370 0.732 0.916) 9.443 22.015 ( 5.958 8.487 -7.670) 12.898 22.015 ( 5.958 8.487 7.671) 12.898 22.951 ( 15.520 -6.773 -11.889) 20.691 22.951 ( 15.520 -6.773 11.889) 20.691 24.916 ( -23.533 -1.850 -2.147) 23.703 24.916 ( -23.533 -1.850 2.147) 23.703 27.069 ( 8.526 -0.207 -1.806) 8.718 27.069 ( 8.526 -0.207 1.806) 8.718 ======================= Grid point 284 (88/93) ======================= q-point: (-0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -5.790 6.842 -9.537) 13.088 1.479 ( -5.790 6.842 9.537) 13.088 1.674 ( -4.440 6.348 -8.510) 11.508 1.674 ( -4.440 6.348 8.510) 11.508 2.057 ( -3.767 2.223 -2.152) 4.875 2.057 ( -3.767 2.223 2.152) 4.875 2.207 ( -1.026 4.470 -1.780) 4.919 2.207 ( -1.026 4.470 1.780) 4.919 2.287 ( -9.238 -3.597 -8.234) 12.887 2.287 ( -9.238 -3.597 8.234) 12.887 2.551 ( -3.914 4.135 -9.691) 11.240 2.551 ( -3.914 4.135 9.691) 11.240 2.846 ( -0.054 -7.374 -6.068) 9.550 2.846 ( -0.054 -7.374 6.068) 9.550 3.013 ( 3.421 3.489 -3.414) 5.960 3.013 ( 3.421 3.489 3.414) 5.960 3.173 ( 0.001 7.889 -5.486) 9.609 3.173 ( 0.001 7.889 5.486) 9.609 3.307 ( -6.893 6.988 -4.381) 10.748 3.307 ( -6.893 6.988 4.381) 10.748 3.486 ( 0.371 1.483 -5.322) 5.538 3.486 ( 0.371 1.483 5.322) 5.538 3.688 ( -12.977 2.353 -6.596) 14.746 3.688 ( -12.977 2.353 6.596) 14.746 3.897 ( -0.427 1.451 -5.626) 5.826 3.897 ( -0.427 1.451 5.626) 5.826 4.405 ( -10.387 -1.248 -6.063) 12.092 4.405 ( -10.387 -1.248 6.063) 12.092 4.626 ( -3.447 -1.595 -4.987) 6.268 4.626 ( -3.447 -1.595 4.987) 6.268 5.868 ( 8.084 -1.492 -3.527) 8.946 5.868 ( 8.084 -1.492 3.527) 8.946 6.379 ( 1.405 -3.498 -1.773) 4.166 6.379 ( 1.405 -3.498 1.773) 4.166 6.714 ( -20.588 0.946 -1.488) 20.663 6.714 ( -20.588 0.946 1.488) 20.663 7.117 ( 2.825 -4.261 -11.613) 12.689 7.117 ( 2.825 -4.261 11.613) 12.689 7.469 ( -14.238 -0.003 -8.714) 16.693 7.469 ( -14.238 -0.003 8.714) 16.693 7.668 ( -17.072 -2.865 -0.527) 17.319 7.668 ( -17.072 -2.865 0.527) 17.319 9.233 ( 6.179 -7.231 -4.693) 10.606 9.233 ( 6.179 -7.231 4.693) 10.606 9.469 ( 10.780 -0.137 -4.939) 11.858 9.469 ( 10.780 -0.137 4.939) 11.858 10.562 ( -11.428 -3.528 -1.816) 12.098 10.562 ( -11.428 -3.528 1.816) 12.098 11.148 ( -8.891 0.107 -2.605) 9.265 11.148 ( -8.891 0.107 2.605) 9.265 11.667 ( 0.461 -1.499 -8.230) 8.378 11.667 ( 0.461 -1.499 8.230) 8.378 12.064 ( -3.885 0.933 -7.829) 8.789 12.064 ( -3.885 0.933 7.829) 8.789 12.671 ( 24.350 1.525 -1.170) 24.426 12.671 ( 24.350 1.525 1.170) 24.426 13.956 ( 2.547 -0.673 -5.253) 5.877 13.956 ( 2.547 -0.673 5.253) 5.877 14.741 ( -12.244 0.429 -1.263) 12.317 14.741 ( -12.244 0.429 1.263) 12.317 21.332 ( -6.911 1.008 -1.065) 7.065 21.332 ( -6.911 1.008 1.065) 7.065 21.416 ( -1.078 -3.137 -3.784) 5.032 21.416 ( -1.078 -3.137 3.784) 5.032 22.009 ( 3.229 11.309 -8.452) 14.483 22.009 ( 3.229 11.309 8.452) 14.483 23.237 ( 9.257 -8.645 -13.581) 18.570 23.237 ( 9.257 -8.645 13.581) 18.570 24.613 ( -12.722 -0.694 -3.297) 13.160 24.613 ( -12.722 -0.694 3.297) 13.160 27.191 ( 5.053 -0.997 -3.132) 6.028 27.191 ( 5.053 -0.997 3.132) 6.028 ======================= Grid point 286 (89/93) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.000 9.643 -14.086) 17.071 1.335 ( 0.000 9.643 14.086) 17.071 1.551 ( 0.000 10.585 -14.309) 17.798 1.551 ( 0.000 10.585 14.309) 17.798 2.012 ( 0.000 0.812 -1.677) 1.863 2.012 ( 0.000 0.812 1.677) 1.863 2.161 ( 0.000 4.576 -2.305) 5.124 2.161 ( 0.000 4.576 2.305) 5.124 2.240 ( -0.000 -5.715 -8.847) 10.533 2.240 ( -0.000 -5.715 8.847) 10.533 2.464 ( 0.000 6.273 -14.085) 15.419 2.464 ( 0.000 6.273 14.085) 15.419 2.899 ( -0.000 -3.254 -3.777) 4.986 2.899 ( -0.000 -3.254 3.777) 4.986 2.984 ( 0.000 11.162 -9.197) 14.463 2.984 ( 0.000 11.162 9.197) 14.463 3.075 ( 0.000 9.612 -4.777) 10.734 3.075 ( 0.000 9.612 4.777) 10.734 3.188 ( 0.000 2.099 -5.468) 5.857 3.188 ( 0.000 2.099 5.468) 5.857 3.503 ( -0.000 -0.475 -6.326) 6.344 3.503 ( -0.000 -0.475 6.326) 6.344 3.556 ( -0.000 -0.731 -12.523) 12.544 3.556 ( -0.000 -0.731 12.523) 12.544 3.918 ( 0.000 0.635 -7.565) 7.592 3.918 ( 0.000 0.635 7.565) 7.592 4.283 ( 0.000 0.529 -6.087) 6.110 4.283 ( 0.000 0.529 6.087) 6.110 4.630 ( -0.000 -1.442 -5.664) 5.844 4.630 ( -0.000 -1.442 5.664) 5.844 5.982 ( -0.000 -2.605 -3.113) 4.059 5.982 ( -0.000 -2.605 3.113) 4.059 6.453 ( -0.000 -6.156 -0.235) 6.161 6.453 ( -0.000 -6.156 0.235) 6.161 6.489 ( 0.000 0.780 -3.229) 3.322 6.489 ( 0.000 0.780 3.229) 3.322 7.214 ( -0.000 -6.527 -12.895) 14.453 7.214 ( -0.000 -6.527 12.895) 14.453 7.318 ( 0.000 1.498 -10.718) 10.822 7.318 ( 0.000 1.498 10.718) 10.822 7.525 ( -0.000 -1.697 -2.088) 2.690 7.525 ( -0.000 -1.697 2.088) 2.690 9.363 ( -0.000 -7.731 -7.242) 10.593 9.363 ( -0.000 -7.731 7.242) 10.593 9.581 ( -0.000 -1.004 -8.049) 8.111 9.581 ( -0.000 -1.004 8.049) 8.111 10.483 ( -0.000 -4.246 -0.255) 4.254 10.483 ( -0.000 -4.246 0.255) 4.254 11.063 ( -0.000 -0.022 -8.133) 8.133 11.063 ( -0.000 -0.022 8.133) 8.133 11.680 ( -0.000 -0.891 -8.664) 8.709 11.680 ( -0.000 -0.891 8.664) 8.709 12.028 ( 0.000 0.411 -8.678) 8.688 12.028 ( 0.000 0.411 8.678) 8.688 12.882 ( 0.000 1.928 -0.960) 2.153 12.882 ( 0.000 1.928 0.960) 2.153 13.994 ( -0.000 -0.310 -5.548) 5.556 13.994 ( -0.000 -0.310 5.548) 5.556 14.609 ( 0.000 0.177 -1.943) 1.951 14.609 ( 0.000 0.177 1.943) 1.951 21.252 ( 0.000 0.236 -0.755) 0.791 21.252 ( 0.000 0.236 0.755) 0.791 21.440 ( -0.000 -3.111 -4.460) 5.438 21.440 ( -0.000 -3.111 4.460) 5.438 21.933 ( 0.000 12.108 -9.522) 15.403 21.933 ( 0.000 12.108 9.522) 15.403 23.395 ( -0.000 -9.140 -14.214) 16.899 23.395 ( -0.000 -9.140 14.214) 16.899 24.503 ( 0.000 0.552 -3.936) 3.975 24.503 ( 0.000 0.552 3.936) 3.975 27.250 ( -0.000 -1.845 -3.868) 4.285 27.250 ( -0.000 -1.845 3.868) 4.285 ======================= Grid point 300 (90/93) ======================= q-point: (-0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -2.540 0.000 -1.900) 3.172 1.633 ( -2.540 0.000 1.900) 3.172 1.796 ( -5.148 0.000 -1.470) 5.353 1.796 ( -5.148 0.000 1.470) 5.353 2.142 ( -0.174 0.000 -0.563) 0.589 2.142 ( -0.174 0.000 0.563) 0.589 2.365 ( -0.972 0.000 -5.666) 5.748 2.365 ( -0.972 0.000 5.666) 5.748 2.435 ( -10.811 0.000 -5.326) 12.052 2.435 ( -10.811 0.000 5.326) 12.052 2.636 ( -2.848 0.000 -4.345) 5.195 2.636 ( -2.848 0.000 4.345) 5.195 2.740 ( -3.596 0.000 -11.309) 11.866 2.740 ( -3.596 0.000 11.309) 11.866 2.945 ( 5.941 -0.000 -1.436) 6.112 2.945 ( 5.941 -0.000 1.436) 6.112 3.205 ( 3.735 -0.000 -10.560) 11.201 3.205 ( 3.735 -0.000 10.560) 11.201 3.458 ( -2.154 0.000 -1.750) 2.775 3.458 ( -2.154 0.000 1.750) 2.775 3.593 ( -4.266 0.000 -0.985) 4.378 3.593 ( -4.266 0.000 0.985) 4.378 3.909 ( -1.931 0.000 -5.958) 6.263 3.909 ( -1.931 0.000 5.958) 6.263 4.174 ( -24.966 0.000 -3.911) 25.270 4.174 ( -24.966 0.000 3.911) 25.270 4.412 ( 0.586 -0.000 -3.615) 3.662 4.412 ( 0.586 -0.000 3.615) 3.662 4.860 ( -22.595 0.000 -5.395) 23.230 4.860 ( -22.595 0.000 5.395) 23.230 5.741 ( 5.068 -0.000 -4.455) 6.747 5.741 ( 5.068 -0.000 4.455) 6.747 6.316 ( -0.263 0.000 -1.586) 1.608 6.316 ( -0.263 0.000 1.586) 1.608 7.017 ( 1.238 -0.000 -13.626) 13.682 7.017 ( 1.238 -0.000 13.626) 13.682 7.189 ( -29.621 0.000 -3.525) 29.830 7.189 ( -29.621 0.000 3.525) 29.830 7.725 ( -14.758 0.000 -8.522) 17.042 7.725 ( -14.758 0.000 8.522) 17.042 7.998 ( -26.190 0.000 -4.207) 26.525 7.998 ( -26.190 0.000 4.207) 26.525 9.039 ( 3.777 -0.000 -0.907) 3.884 9.039 ( 3.777 -0.000 0.907) 3.884 9.275 ( 10.725 -0.000 -1.017) 10.773 9.275 ( 10.725 -0.000 1.017) 10.773 10.733 ( -12.412 0.000 -3.025) 12.775 10.733 ( -12.412 0.000 3.025) 12.775 11.343 ( -11.937 0.000 -7.756) 14.235 11.343 ( -11.937 0.000 7.756) 14.235 11.587 ( 5.472 -0.000 -7.097) 8.962 11.587 ( 5.472 -0.000 7.097) 8.962 12.107 ( 18.946 -0.000 -4.633) 19.504 12.107 ( 18.946 -0.000 4.633) 19.504 12.264 ( 5.788 -0.000 -2.304) 6.230 12.264 ( 5.788 -0.000 2.304) 6.230 13.930 ( -2.334 0.000 -2.523) 3.437 13.930 ( -2.334 0.000 2.523) 3.437 14.950 ( -9.613 0.000 -0.474) 9.625 14.950 ( -9.613 0.000 0.474) 9.625 21.339 ( 2.019 -0.000 -5.769) 6.112 21.339 ( 2.019 -0.000 5.769) 6.112 21.533 ( -10.024 0.000 -0.490) 10.036 21.533 ( -10.024 0.000 0.490) 10.036 22.097 ( 6.484 -0.000 -8.201) 10.454 22.097 ( 6.484 -0.000 8.201) 10.454 22.885 ( 15.193 -0.000 -13.323) 20.207 22.885 ( 15.193 -0.000 13.323) 20.207 24.899 ( -22.892 0.000 -0.626) 22.901 24.899 ( -22.892 0.000 0.626) 22.901 27.067 ( 8.283 -0.000 -1.246) 8.376 27.067 ( 8.283 -0.000 1.246) 8.376 ======================= Grid point 304 (91/93) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -3.063 3.256 -4.224) 6.150 1.573 ( -3.063 3.256 4.224) 6.150 1.734 ( -2.187 1.235 -2.390) 3.467 1.734 ( -2.187 1.235 2.390) 3.467 2.083 ( -6.913 0.785 -1.912) 7.216 2.083 ( -6.913 0.785 1.912) 7.216 2.220 ( -10.421 -1.690 -9.905) 14.476 2.220 ( -10.421 -1.690 9.905) 14.476 2.316 ( -2.027 4.547 -3.115) 5.873 2.316 ( -2.027 4.547 3.115) 5.873 2.594 ( -2.374 0.604 -6.986) 7.403 2.594 ( -2.374 0.604 6.986) 7.403 2.721 ( -0.913 -5.081 -8.547) 9.985 2.721 ( -0.913 -5.081 8.547) 9.985 3.045 ( 6.175 0.951 -2.547) 6.747 3.045 ( 6.175 0.951 2.547) 6.747 3.262 ( 2.974 2.019 -10.959) 11.533 3.262 ( 2.974 2.019 10.959) 11.533 3.384 ( -6.360 2.054 -4.251) 7.921 3.384 ( -6.360 2.054 4.251) 7.921 3.537 ( -0.792 2.494 -2.557) 3.659 3.537 ( -0.792 2.494 2.557) 3.659 3.749 ( -14.998 3.584 -4.149) 15.968 3.749 ( -14.998 3.584 4.149) 15.968 3.906 ( -2.081 -0.403 -7.599) 7.890 3.906 ( -2.081 -0.403 7.599) 7.890 4.385 ( -7.363 -0.748 -5.348) 9.130 4.385 ( -7.363 -0.748 5.348) 9.130 4.601 ( -4.708 -0.929 -4.981) 6.916 4.601 ( -4.708 -0.929 4.981) 6.916 5.853 ( 7.537 -0.370 -0.711) 7.580 5.853 ( 7.537 -0.370 0.711) 7.580 6.342 ( 2.029 -0.953 -1.145) 2.517 6.342 ( 2.029 -0.953 1.145) 2.517 6.732 ( -21.903 0.740 -0.421) 21.920 6.732 ( -21.903 0.740 0.421) 21.920 7.052 ( 1.385 -2.464 -12.307) 12.627 7.052 ( 1.385 -2.464 12.307) 12.627 7.478 ( -13.429 0.590 -9.302) 16.346 7.478 ( -13.429 0.590 9.302) 16.346 7.629 ( -15.763 -1.415 -0.720) 15.843 7.629 ( -15.763 -1.415 0.720) 15.843 9.133 ( 4.746 -3.368 -4.824) 7.559 9.133 ( 4.746 -3.368 4.824) 7.559 9.469 ( 10.766 0.033 -4.274) 11.583 9.469 ( 10.766 0.033 4.274) 11.583 10.518 ( -11.705 -1.320 -1.401) 11.862 10.518 ( -11.705 -1.320 1.401) 11.862 11.150 ( -9.339 0.073 -2.472) 9.661 11.150 ( -9.339 0.073 2.472) 9.661 11.646 ( 1.654 -0.743 -6.273) 6.530 11.646 ( 1.654 -0.743 6.273) 6.530 12.072 ( -5.160 0.119 -4.314) 6.727 12.072 ( -5.160 0.119 4.314) 6.727 12.692 ( 24.596 0.725 -0.950) 24.625 12.692 ( 24.596 0.725 0.950) 24.625 13.951 ( 3.598 -0.050 -8.022) 8.792 13.951 ( 3.598 -0.050 8.022) 8.792 14.747 ( -12.543 0.183 -1.256) 12.608 14.747 ( -12.543 0.183 1.256) 12.608 21.340 ( -6.887 -0.018 -0.822) 6.936 21.340 ( -6.887 -0.018 0.822) 6.936 21.383 ( -1.479 -0.724 -4.142) 4.457 21.383 ( -1.479 -0.724 4.142) 4.457 22.164 ( 3.787 5.400 -8.351) 10.641 22.164 ( 3.787 5.400 8.351) 10.641 23.117 ( 9.109 -4.241 -15.239) 18.253 23.117 ( 9.109 -4.241 15.239) 18.253 24.604 ( -11.598 -0.287 -1.504) 11.699 24.604 ( -11.598 -0.287 1.504) 11.699 27.179 ( 4.591 -0.364 -2.447) 5.215 27.179 ( 4.591 -0.364 2.447) 5.215 ======================= Grid point 306 (92/93) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.000 7.422 -8.618) 11.373 1.488 ( 0.000 7.422 8.618) 11.373 1.681 ( 0.000 4.677 -7.332) 8.697 1.681 ( 0.000 4.677 7.332) 8.697 2.005 ( -0.000 -1.642 -5.559) 5.797 2.005 ( -0.000 -1.642 5.559) 5.797 2.157 ( -0.000 -3.310 -7.737) 8.415 2.157 ( -0.000 -3.310 7.737) 8.415 2.252 ( 0.000 5.681 -1.650) 5.915 2.252 ( 0.000 5.681 1.650) 5.915 2.552 ( 0.000 3.356 -10.997) 11.497 2.552 ( 0.000 3.356 10.997) 11.497 2.775 ( -0.000 -8.034 -7.621) 11.074 2.775 ( -0.000 -8.034 7.621) 11.074 3.111 ( 0.000 3.301 -5.408) 6.336 3.111 ( 0.000 3.301 5.408) 6.336 3.223 ( 0.000 6.927 -6.061) 9.204 3.223 ( 0.000 6.927 6.061) 9.204 3.277 ( 0.000 4.239 -9.798) 10.675 3.277 ( 0.000 4.239 9.798) 10.675 3.537 ( -0.000 -1.307 -11.647) 11.720 3.537 ( -0.000 -1.307 11.647) 11.720 3.562 ( 0.000 7.630 -6.476) 10.008 3.562 ( 0.000 7.630 6.476) 10.008 3.915 ( -0.000 -1.351 -7.760) 7.877 3.915 ( -0.000 -1.351 7.760) 7.877 4.289 ( 0.000 0.227 -5.373) 5.378 4.289 ( 0.000 0.227 5.373) 5.378 4.601 ( -0.000 -1.554 -6.090) 6.285 4.601 ( -0.000 -1.554 6.090) 6.285 5.949 ( -0.000 -1.304 -3.223) 3.477 5.949 ( -0.000 -1.304 3.223) 3.477 6.385 ( -0.000 -1.811 -2.529) 3.111 6.385 ( -0.000 -1.811 2.529) 3.111 6.501 ( 0.000 0.586 -4.534) 4.572 6.501 ( 0.000 0.586 4.534) 4.572 7.104 ( -0.000 -5.372 -12.071) 13.213 7.104 ( -0.000 -5.372 12.071) 13.213 7.338 ( 0.000 0.776 -8.775) 8.809 7.338 ( 0.000 0.776 8.775) 8.809 7.501 ( -0.000 -0.954 -2.914) 3.066 7.501 ( -0.000 -0.954 2.914) 3.066 9.226 ( -0.000 -6.763 -7.018) 9.747 9.226 ( -0.000 -6.763 7.018) 9.747 9.577 ( 0.000 0.081 -7.533) 7.534 9.577 ( 0.000 0.081 7.533) 7.534 10.421 ( -0.000 -2.694 -0.098) 2.696 10.421 ( -0.000 -2.694 0.098) 2.696 11.063 ( -0.000 -0.012 -8.218) 8.218 11.063 ( -0.000 -0.012 8.218) 8.218 11.665 ( -0.000 -0.745 -6.577) 6.619 11.665 ( -0.000 -0.745 6.577) 6.619 12.028 ( -0.000 -0.244 -5.543) 5.548 12.028 ( -0.000 -0.244 5.543) 5.548 12.912 ( 0.000 1.355 -1.068) 1.726 12.912 ( 0.000 1.355 1.068) 1.726 13.997 ( 0.000 0.365 -9.409) 9.416 13.997 ( 0.000 0.365 9.409) 9.416 14.611 ( 0.000 0.113 -2.049) 2.053 14.611 ( 0.000 0.113 2.049) 2.053 21.256 ( 0.000 0.146 -0.861) 0.873 21.256 ( 0.000 0.146 0.861) 0.873 21.396 ( -0.000 -1.739 -4.075) 4.430 21.396 ( -0.000 -1.739 4.075) 4.430 22.131 ( 0.000 9.579 -8.365) 12.717 22.131 ( 0.000 9.579 8.365) 12.717 23.248 ( -0.000 -7.209 -15.538) 17.129 23.248 ( -0.000 -7.209 15.538) 17.129 24.506 ( 0.000 0.034 -2.801) 2.802 24.506 ( 0.000 0.034 2.801) 2.802 27.225 ( -0.000 -0.956 -3.175) 3.316 27.225 ( -0.000 -0.956 3.175) 3.316 ======================= Grid point 326 (93/93) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.000 0.000 -3.391) 3.391 1.560 ( 0.000 0.000 3.391) 3.391 1.720 ( 0.000 0.000 -2.075) 2.075 1.720 ( 0.000 0.000 2.075) 2.075 1.981 ( -0.000 -0.000 -11.545) 11.545 1.981 ( 0.000 0.000 11.545) 11.545 2.131 ( 0.000 0.000 -5.571) 5.571 2.131 ( 0.000 0.000 5.571) 5.571 2.317 ( 0.000 0.000 -2.558) 2.558 2.317 ( 0.000 0.000 2.558) 2.558 2.579 ( 0.000 0.000 -2.344) 2.344 2.579 ( -0.000 -0.000 2.344) 2.344 2.689 ( 0.000 0.000 -3.991) 3.991 2.689 ( 0.000 0.000 3.991) 3.991 3.140 ( 0.000 0.000 -6.532) 6.532 3.140 ( 0.000 0.000 6.532) 6.532 3.289 ( 0.000 0.000 -6.675) 6.675 3.289 ( 0.000 0.000 6.675) 6.675 3.304 ( 0.000 0.000 -12.716) 12.716 3.304 ( 0.000 0.000 12.716) 12.716 3.522 ( 0.000 0.000 -10.985) 10.985 3.522 ( 0.000 0.000 10.985) 10.985 3.663 ( -0.000 -0.000 -2.247) 2.247 3.663 ( -0.000 -0.000 2.247) 2.247 3.888 ( 0.000 0.000 -9.710) 9.710 3.888 ( 0.000 0.000 9.710) 9.710 4.291 ( 0.000 0.000 -5.102) 5.102 4.291 ( 0.000 0.000 5.102) 5.102 4.586 ( 0.000 0.000 -5.194) 5.194 4.586 ( 0.000 0.000 5.194) 5.194 5.937 ( 0.000 0.000 -5.680) 5.680 5.937 ( 0.000 0.000 5.680) 5.680 6.374 ( 0.000 0.000 -2.943) 2.943 6.374 ( 0.000 0.000 2.943) 2.943 6.507 ( 0.000 0.000 -5.059) 5.059 6.507 ( 0.000 0.000 5.059) 5.059 7.053 ( 0.000 0.000 -12.417) 12.417 7.053 ( 0.000 0.000 12.417) 12.417 7.345 ( 0.000 0.000 -8.097) 8.097 7.345 ( 0.000 0.000 8.097) 8.097 7.493 ( 0.000 0.000 -4.132) 4.132 7.493 ( 0.000 0.000 4.132) 4.132 9.162 ( 0.000 0.000 -7.641) 7.641 9.162 ( 0.000 0.000 7.641) 7.641 9.578 ( 0.000 0.000 -7.553) 7.553 9.578 ( 0.000 0.000 7.553) 7.553 10.396 ( 0.000 0.000 -0.019) 0.019 10.396 ( 0.000 0.000 0.019) 0.019 11.062 ( 0.000 0.000 -8.248) 8.248 11.062 ( 0.000 0.000 8.248) 8.248 11.658 ( 0.000 0.000 -5.320) 5.320 11.658 ( 0.000 0.000 5.320) 5.320 12.025 ( 0.000 0.000 -3.115) 3.115 12.025 ( 0.000 0.000 3.115) 3.115 12.924 ( 0.000 0.000 -1.312) 1.312 12.924 ( 0.000 0.000 1.312) 1.312 14.001 ( 0.000 0.000 -10.772) 10.772 14.001 ( 0.000 0.000 10.772) 10.772 14.612 ( 0.000 0.000 -2.089) 2.089 14.612 ( 0.000 0.000 2.089) 2.089 21.257 ( 0.000 0.000 -0.900) 0.900 21.257 ( 0.000 0.000 0.900) 0.900 21.381 ( 0.000 0.000 -4.230) 4.230 21.381 ( 0.000 0.000 4.230) 4.230 22.222 ( 0.000 0.000 -8.518) 8.518 22.222 ( 0.000 0.000 8.518) 8.518 23.178 ( 0.000 0.000 -16.545) 16.545 23.178 ( 0.000 0.000 16.546) 16.546 24.507 ( 0.000 0.000 -1.459) 1.459 24.507 ( 0.000 0.000 1.459) 1.459 27.217 ( 0.000 0.000 -2.754) 2.754 27.217 ( 0.000 0.000 2.754) 2.754 =================== 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 3/28800 10.0 654.877 767.359 519.356 0.000 0.000 0.000 3/28800 20.0 89.045 75.000 73.087 0.000 0.000 0.000 3/28800 30.0 35.378 28.074 30.353 0.000 0.000 0.000 3/28800 40.0 20.638 16.048 18.151 0.000 0.000 0.000 3/28800 50.0 14.436 11.023 12.795 0.000 0.000 0.000 3/28800 60.0 11.194 8.339 9.854 0.000 0.000 0.000 3/28800 70.0 9.268 6.689 8.013 0.000 0.000 0.000 3/28800 80.0 8.017 5.579 6.759 0.000 0.000 0.000 3/28800 90.0 7.146 4.786 5.854 0.000 0.000 0.000 3/28800 100.0 6.502 4.192 5.170 0.000 0.000 0.000 3/28800 110.0 6.003 3.731 4.636 0.000 0.000 0.000 3/28800 120.0 5.600 3.364 4.208 0.000 0.000 0.000 3/28800 130.0 5.265 3.065 3.856 0.000 0.000 0.000 3/28800 140.0 4.980 2.817 3.562 0.000 0.000 0.000 3/28800 150.0 4.731 2.607 3.312 0.000 0.000 0.000 3/28800 160.0 4.512 2.428 3.097 0.000 0.000 0.000 3/28800 170.0 4.317 2.274 2.909 0.000 0.000 0.000 3/28800 180.0 4.142 2.139 2.745 0.000 0.000 0.000 3/28800 190.0 3.982 2.019 2.599 0.000 0.000 0.000 3/28800 200.0 3.837 1.914 2.468 0.000 0.000 0.000 3/28800 210.0 3.704 1.819 2.350 0.000 0.000 0.000 3/28800 220.0 3.581 1.734 2.244 0.000 0.000 0.000 3/28800 230.0 3.467 1.657 2.147 0.000 0.000 0.000 3/28800 240.0 3.362 1.587 2.059 0.000 0.000 0.000 3/28800 250.0 3.263 1.523 1.978 0.000 0.000 0.000 3/28800 260.0 3.171 1.464 1.903 0.000 0.000 0.000 3/28800 270.0 3.084 1.410 1.834 0.000 0.000 0.000 3/28800 280.0 3.002 1.359 1.770 0.000 0.000 0.000 3/28800 290.0 2.925 1.313 1.710 0.000 0.000 0.000 3/28800 300.0 2.852 1.269 1.654 0.000 0.000 0.000 3/28800 310.0 2.783 1.229 1.602 0.000 0.000 0.000 3/28800 320.0 2.717 1.191 1.553 0.000 0.000 0.000 3/28800 330.0 2.654 1.156 1.508 0.000 0.000 0.000 3/28800 340.0 2.595 1.122 1.464 0.000 0.000 0.000 3/28800 350.0 2.537 1.091 1.424 0.000 0.000 0.000 3/28800 360.0 2.483 1.061 1.385 0.000 0.000 0.000 3/28800 370.0 2.431 1.033 1.349 0.000 0.000 0.000 3/28800 380.0 2.380 1.006 1.314 0.000 0.000 0.000 3/28800 390.0 2.332 0.981 1.281 0.000 0.000 0.000 3/28800 400.0 2.286 0.957 1.250 0.000 0.000 0.000 3/28800 410.0 2.241 0.934 1.220 0.000 0.000 0.000 3/28800 420.0 2.198 0.912 1.192 0.000 0.000 0.000 3/28800 430.0 2.157 0.892 1.165 0.000 0.000 0.000 3/28800 440.0 2.117 0.872 1.139 0.000 0.000 0.000 3/28800 450.0 2.079 0.853 1.114 0.000 0.000 0.000 3/28800 460.0 2.042 0.835 1.090 0.000 0.000 0.000 3/28800 470.0 2.006 0.817 1.068 0.000 0.000 0.000 3/28800 480.0 1.971 0.801 1.046 0.000 0.000 0.000 3/28800 490.0 1.937 0.785 1.025 0.000 0.000 0.000 3/28800 500.0 1.905 0.769 1.005 0.000 0.000 0.000 3/28800 510.0 1.873 0.755 0.986 0.000 0.000 0.000 3/28800 520.0 1.843 0.740 0.967 0.000 0.000 0.000 3/28800 530.0 1.813 0.727 0.949 0.000 0.000 0.000 3/28800 540.0 1.785 0.714 0.932 0.000 0.000 0.000 3/28800 550.0 1.757 0.701 0.915 0.000 0.000 0.000 3/28800 560.0 1.730 0.689 0.899 0.000 0.000 0.000 3/28800 570.0 1.704 0.677 0.884 0.000 0.000 0.000 3/28800 580.0 1.678 0.665 0.869 0.000 0.000 0.000 3/28800 590.0 1.653 0.654 0.855 0.000 0.000 0.000 3/28800 600.0 1.629 0.644 0.841 0.000 0.000 0.000 3/28800 610.0 1.606 0.633 0.827 0.000 0.000 0.000 3/28800 620.0 1.583 0.623 0.814 0.000 0.000 0.000 3/28800 630.0 1.561 0.613 0.801 0.000 0.000 0.000 3/28800 640.0 1.539 0.604 0.789 0.000 0.000 0.000 3/28800 650.0 1.518 0.595 0.777 0.000 0.000 0.000 3/28800 660.0 1.498 0.586 0.765 0.000 0.000 0.000 3/28800 670.0 1.478 0.577 0.754 0.000 0.000 0.000 3/28800 680.0 1.458 0.569 0.743 0.000 0.000 0.000 3/28800 690.0 1.439 0.561 0.733 0.000 0.000 0.000 3/28800 700.0 1.421 0.553 0.722 0.000 0.000 0.000 3/28800 710.0 1.403 0.545 0.712 0.000 0.000 0.000 3/28800 720.0 1.385 0.538 0.702 0.000 0.000 0.000 3/28800 730.0 1.368 0.531 0.693 0.000 0.000 0.000 3/28800 740.0 1.351 0.524 0.684 0.000 0.000 0.000 3/28800 750.0 1.335 0.517 0.675 0.000 0.000 0.000 3/28800 760.0 1.319 0.510 0.666 0.000 0.000 0.000 3/28800 770.0 1.303 0.504 0.657 0.000 0.000 0.000 3/28800 780.0 1.288 0.497 0.649 0.000 0.000 0.000 3/28800 790.0 1.273 0.491 0.641 0.000 0.000 0.000 3/28800 800.0 1.258 0.485 0.633 0.000 0.000 0.000 3/28800 810.0 1.244 0.479 0.625 0.000 0.000 0.000 3/28800 820.0 1.230 0.473 0.618 0.000 0.000 0.000 3/28800 830.0 1.216 0.468 0.610 0.000 0.000 0.000 3/28800 840.0 1.203 0.462 0.603 0.000 0.000 0.000 3/28800 850.0 1.190 0.457 0.596 0.000 0.000 0.000 3/28800 860.0 1.177 0.451 0.589 0.000 0.000 0.000 3/28800 870.0 1.164 0.446 0.583 0.000 0.000 0.000 3/28800 880.0 1.152 0.441 0.576 0.000 0.000 0.000 3/28800 890.0 1.140 0.436 0.570 0.000 0.000 0.000 3/28800 900.0 1.128 0.432 0.563 0.000 0.000 0.000 3/28800 910.0 1.116 0.427 0.557 0.000 0.000 0.000 3/28800 920.0 1.105 0.422 0.551 0.000 0.000 0.000 3/28800 930.0 1.094 0.418 0.545 0.000 0.000 0.000 3/28800 940.0 1.083 0.413 0.540 0.000 0.000 0.000 3/28800 950.0 1.072 0.409 0.534 0.000 0.000 0.000 3/28800 960.0 1.062 0.405 0.528 0.000 0.000 0.000 3/28800 970.0 1.051 0.401 0.523 0.000 0.000 0.000 3/28800 980.0 1.041 0.397 0.518 0.000 0.000 0.000 3/28800 990.0 1.031 0.393 0.513 0.000 0.000 0.000 3/28800 1000.0 1.021 0.389 0.508 0.000 0.000 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:40:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|