----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:08:04]------------------------- 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 2.586150575000000 -5.127191809999999 0.000000000000000 b 2.586150575000000 5.127191809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.182105480000001 Atomic positions (fractional): *1 N 0.46026648629105 0.03973351370895 0.75000000000000 14.007 2 N 0.03973351370895 0.46026648629105 0.25000000000000 14.007 3 N 0.53973351370895 0.96026648629105 0.25000000000000 14.007 4 N 0.96026648629105 0.53973351370895 0.75000000000000 14.007 *5 N 0.91240896607095 0.08759103392905 0.85988521090061 14.007 6 N 0.08759103392905 0.91240896607095 0.14011478909939 14.007 7 N 0.58759103392905 0.41240896607095 0.35988521090061 14.007 *8 N 0.15971740596058 0.84028259403941 0.54860036773188 14.007 9 N 0.65971740596059 0.34028259403942 0.95139963226812 14.007 10 N 0.34028259403941 0.65971740596059 0.04860036773188 14.007 11 N 0.84028259403941 0.15971740596059 0.45139963226812 14.007 12 N 0.41240896607095 0.58759103392905 0.64011478909939 14.007 *13 P 0.25554471213428 0.74445528786572 0.66452824675766 30.974 14 P 0.24445528786572 0.75554471213428 0.16452824675766 30.974 15 P 0.74445528786572 0.25554471213428 0.33547175324234 30.974 16 P 0.75554471213428 0.24445528786572 0.83547175324234 30.974 *17 Ca 0.86245700986042 0.13754299013958 0.07410014515813 40.078 18 Ca 0.36245700986042 0.63754299013958 0.42589985484187 40.078 19 Ca 0.63754299013958 0.36245700986042 0.57410014515813 40.078 20 Ca 0.13754299013958 0.86245700986042 0.92589985484187 40.078 *21 Ca 0.94840906627727 0.05159093372273 0.64240662850486 40.078 22 Ca 0.05159093372273 0.94840906627727 0.35759337149514 40.078 23 Ca 0.55159093372273 0.44840906627727 0.14240662850486 40.078 24 Ca 0.44840906627727 0.55159093372273 0.85759337149514 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.172301149999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.254383619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.182105480000001 Atomic positions (fractional): *1 N 0.75000000000000 0.28973351370895 0.75000000000000 14.007 > 1 2 N 0.25000000000000 0.21026648629105 0.25000000000000 14.007 > 2 3 N 0.75000000000000 0.21026648629105 0.25000000000000 14.007 > 3 4 N 0.25000000000000 0.28973351370895 0.75000000000000 14.007 > 4 *5 N 0.00000000000000 0.08759103392905 0.85988521090061 14.007 > 5 6 N 0.50000000000000 0.41240896607095 0.14011478909939 14.007 > 6 7 N 0.00000000000000 0.41240896607095 0.35988521090061 14.007 > 7 *8 N 0.50000000000000 0.34028259403942 0.54860036773188 14.007 > 8 9 N 0.00000000000000 0.34028259403942 0.95139963226812 14.007 > 9 10 N 0.50000000000000 0.15971740596059 0.04860036773188 14.007 > 10 11 N 0.00000000000000 0.15971740596059 0.45139963226812 14.007 > 11 12 N 0.50000000000000 0.08759103392905 0.64011478909939 14.007 > 12 13 N 0.25000000000000 0.78973351370895 0.75000000000000 14.007 > 1 14 N 0.75000000000000 0.71026648629105 0.25000000000000 14.007 > 2 15 N 0.25000000000000 0.71026648629105 0.25000000000000 14.007 > 3 16 N 0.75000000000000 0.78973351370895 0.75000000000000 14.007 > 4 17 N 0.50000000000000 0.58759103392905 0.85988521090061 14.007 > 5 18 N 0.00000000000000 0.91240896607095 0.14011478909939 14.007 > 6 19 N 0.50000000000000 0.91240896607095 0.35988521090061 14.007 > 7 20 N 0.00000000000000 0.84028259403941 0.54860036773188 14.007 > 8 21 N 0.50000000000000 0.84028259403941 0.95139963226812 14.007 > 9 22 N 0.00000000000000 0.65971740596059 0.04860036773188 14.007 > 10 23 N 0.50000000000000 0.65971740596059 0.45139963226812 14.007 > 11 24 N 0.00000000000000 0.58759103392905 0.64011478909939 14.007 > 12 *25 P 0.50000000000000 0.24445528786572 0.66452824675766 30.974 > 13 26 P 0.50000000000000 0.25554471213428 0.16452824675766 30.974 > 14 27 P 0.00000000000000 0.25554471213428 0.33547175324234 30.974 > 15 28 P 0.00000000000000 0.24445528786572 0.83547175324234 30.974 > 16 29 P 0.00000000000000 0.74445528786572 0.66452824675766 30.974 > 13 30 P 0.00000000000000 0.75554471213428 0.16452824675766 30.974 > 14 31 P 0.50000000000000 0.75554471213428 0.33547175324234 30.974 > 15 32 P 0.50000000000000 0.74445528786572 0.83547175324234 30.974 > 16 *33 Ca 0.00000000000000 0.13754299013958 0.07410014515813 40.078 > 17 34 Ca 0.50000000000000 0.13754299013958 0.42589985484187 40.078 > 18 35 Ca 0.00000000000000 0.36245700986042 0.57410014515813 40.078 > 19 36 Ca 0.50000000000000 0.36245700986042 0.92589985484187 40.078 > 20 *37 Ca 0.00000000000000 0.05159093372273 0.64240662850486 40.078 > 21 38 Ca 0.50000000000000 0.44840906627727 0.35759337149514 40.078 > 22 39 Ca 0.00000000000000 0.44840906627727 0.14240662850486 40.078 > 23 40 Ca 0.50000000000000 0.05159093372273 0.85759337149514 40.078 > 24 41 Ca 0.50000000000000 0.63754299013958 0.07410014515813 40.078 > 17 42 Ca 0.00000000000000 0.63754299013958 0.42589985484187 40.078 > 18 43 Ca 0.50000000000000 0.86245700986042 0.57410014515813 40.078 > 19 44 Ca 0.00000000000000 0.86245700986042 0.92589985484187 40.078 > 20 45 Ca 0.50000000000000 0.55159093372273 0.64240662850486 40.078 > 21 46 Ca 0.00000000000000 0.94840906627727 0.35759337149514 40.078 > 22 47 Ca 0.50000000000000 0.94840906627727 0.14240662850486 40.078 > 23 48 Ca 0.00000000000000 0.55159093372273 0.85759337149514 40.078 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.344602299999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.254383619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.182105480000001 Atomic positions (fractional): *1 N 0.37500000000000 0.28973351370895 0.75000000000000 14.007 > 1 2 N 0.87500000000000 0.28973351370895 0.75000000000000 14.007 > 1 3 N 0.12500000000000 0.21026648629105 0.25000000000000 14.007 > 2 4 N 0.62500000000000 0.21026648629105 0.25000000000000 14.007 > 2 5 N 0.37500000000000 0.21026648629105 0.25000000000000 14.007 > 3 6 N 0.87500000000000 0.21026648629105 0.25000000000000 14.007 > 3 7 N 0.12500000000000 0.28973351370895 0.75000000000000 14.007 > 4 8 N 0.62500000000000 0.28973351370895 0.75000000000000 14.007 > 4 *9 N 0.00000000000000 0.08759103392905 0.85988521090061 14.007 > 5 10 N 0.50000000000000 0.08759103392905 0.85988521090061 14.007 > 5 11 N 0.25000000000000 0.41240896607095 0.14011478909939 14.007 > 6 12 N 0.75000000000000 0.41240896607095 0.14011478909939 14.007 > 6 13 N 0.00000000000000 0.41240896607095 0.35988521090061 14.007 > 7 14 N 0.50000000000000 0.41240896607095 0.35988521090061 14.007 > 7 *15 N 0.25000000000000 0.34028259403942 0.54860036773188 14.007 > 8 16 N 0.75000000000000 0.34028259403942 0.54860036773188 14.007 > 8 17 N 0.00000000000000 0.34028259403942 0.95139963226812 14.007 > 9 18 N 0.50000000000000 0.34028259403942 0.95139963226812 14.007 > 9 19 N 0.25000000000000 0.15971740596059 0.04860036773188 14.007 > 10 20 N 0.75000000000000 0.15971740596059 0.04860036773188 14.007 > 10 21 N 0.00000000000000 0.15971740596059 0.45139963226812 14.007 > 11 22 N 0.50000000000000 0.15971740596059 0.45139963226812 14.007 > 11 23 N 0.25000000000000 0.08759103392905 0.64011478909939 14.007 > 12 24 N 0.75000000000000 0.08759103392905 0.64011478909939 14.007 > 12 25 N 0.12500000000000 0.78973351370895 0.75000000000000 14.007 > 1 26 N 0.62500000000000 0.78973351370895 0.75000000000000 14.007 > 1 27 N 0.37500000000000 0.71026648629105 0.25000000000000 14.007 > 2 28 N 0.87500000000000 0.71026648629105 0.25000000000000 14.007 > 2 29 N 0.12500000000000 0.71026648629105 0.25000000000000 14.007 > 3 30 N 0.62500000000000 0.71026648629105 0.25000000000000 14.007 > 3 31 N 0.37500000000000 0.78973351370895 0.75000000000000 14.007 > 4 32 N 0.87500000000000 0.78973351370895 0.75000000000000 14.007 > 4 33 N 0.25000000000000 0.58759103392905 0.85988521090061 14.007 > 5 34 N 0.75000000000000 0.58759103392905 0.85988521090061 14.007 > 5 35 N 0.00000000000000 0.91240896607095 0.14011478909939 14.007 > 6 36 N 0.50000000000000 0.91240896607095 0.14011478909939 14.007 > 6 37 N 0.25000000000000 0.91240896607095 0.35988521090061 14.007 > 7 38 N 0.75000000000000 0.91240896607095 0.35988521090061 14.007 > 7 39 N 0.00000000000000 0.84028259403941 0.54860036773188 14.007 > 8 40 N 0.50000000000000 0.84028259403941 0.54860036773188 14.007 > 8 41 N 0.25000000000000 0.84028259403941 0.95139963226812 14.007 > 9 42 N 0.75000000000000 0.84028259403941 0.95139963226812 14.007 > 9 43 N 0.00000000000000 0.65971740596059 0.04860036773188 14.007 > 10 44 N 0.50000000000000 0.65971740596059 0.04860036773188 14.007 > 10 45 N 0.25000000000000 0.65971740596059 0.45139963226812 14.007 > 11 46 N 0.75000000000000 0.65971740596059 0.45139963226812 14.007 > 11 47 N 0.00000000000000 0.58759103392905 0.64011478909939 14.007 > 12 48 N 0.50000000000000 0.58759103392905 0.64011478909939 14.007 > 12 *49 P 0.25000000000000 0.24445528786572 0.66452824675766 30.974 > 13 50 P 0.75000000000000 0.24445528786572 0.66452824675766 30.974 > 13 51 P 0.25000000000000 0.25554471213428 0.16452824675766 30.974 > 14 52 P 0.75000000000000 0.25554471213428 0.16452824675766 30.974 > 14 53 P 0.00000000000000 0.25554471213428 0.33547175324234 30.974 > 15 54 P 0.50000000000000 0.25554471213428 0.33547175324234 30.974 > 15 55 P 0.00000000000000 0.24445528786572 0.83547175324234 30.974 > 16 56 P 0.50000000000000 0.24445528786572 0.83547175324234 30.974 > 16 57 P 0.00000000000000 0.74445528786572 0.66452824675766 30.974 > 13 58 P 0.50000000000000 0.74445528786572 0.66452824675766 30.974 > 13 59 P 0.00000000000000 0.75554471213428 0.16452824675766 30.974 > 14 60 P 0.50000000000000 0.75554471213428 0.16452824675766 30.974 > 14 61 P 0.25000000000000 0.75554471213428 0.33547175324234 30.974 > 15 62 P 0.75000000000000 0.75554471213428 0.33547175324234 30.974 > 15 63 P 0.25000000000000 0.74445528786572 0.83547175324234 30.974 > 16 64 P 0.75000000000000 0.74445528786572 0.83547175324234 30.974 > 16 *65 Ca 0.00000000000000 0.13754299013958 0.07410014515813 40.078 > 17 66 Ca 0.50000000000000 0.13754299013958 0.07410014515813 40.078 > 17 67 Ca 0.25000000000000 0.13754299013958 0.42589985484187 40.078 > 18 68 Ca 0.75000000000000 0.13754299013958 0.42589985484187 40.078 > 18 69 Ca 0.00000000000000 0.36245700986042 0.57410014515813 40.078 > 19 70 Ca 0.50000000000000 0.36245700986042 0.57410014515813 40.078 > 19 71 Ca 0.25000000000000 0.36245700986042 0.92589985484187 40.078 > 20 72 Ca 0.75000000000000 0.36245700986042 0.92589985484187 40.078 > 20 *73 Ca 0.00000000000000 0.05159093372273 0.64240662850486 40.078 > 21 74 Ca 0.50000000000000 0.05159093372273 0.64240662850486 40.078 > 21 75 Ca 0.25000000000000 0.44840906627727 0.35759337149514 40.078 > 22 76 Ca 0.75000000000000 0.44840906627727 0.35759337149514 40.078 > 22 77 Ca 0.00000000000000 0.44840906627727 0.14240662850486 40.078 > 23 78 Ca 0.50000000000000 0.44840906627727 0.14240662850486 40.078 > 23 79 Ca 0.25000000000000 0.05159093372273 0.85759337149514 40.078 > 24 80 Ca 0.75000000000000 0.05159093372273 0.85759337149514 40.078 > 24 81 Ca 0.25000000000000 0.63754299013958 0.07410014515813 40.078 > 17 82 Ca 0.75000000000000 0.63754299013958 0.07410014515813 40.078 > 17 83 Ca 0.00000000000000 0.63754299013958 0.42589985484187 40.078 > 18 84 Ca 0.50000000000000 0.63754299013958 0.42589985484187 40.078 > 18 85 Ca 0.25000000000000 0.86245700986042 0.57410014515813 40.078 > 19 86 Ca 0.75000000000000 0.86245700986042 0.57410014515813 40.078 > 19 87 Ca 0.00000000000000 0.86245700986042 0.92589985484187 40.078 > 20 88 Ca 0.50000000000000 0.86245700986042 0.92589985484187 40.078 > 20 89 Ca 0.25000000000000 0.55159093372273 0.64240662850486 40.078 > 21 90 Ca 0.75000000000000 0.55159093372273 0.64240662850486 40.078 > 21 91 Ca 0.00000000000000 0.94840906627727 0.35759337149514 40.078 > 22 92 Ca 0.50000000000000 0.94840906627727 0.35759337149514 40.078 > 22 93 Ca 0.25000000000000 0.94840906627727 0.14240662850486 40.078 > 23 94 Ca 0.75000000000000 0.94840906627727 0.14240662850486 40.078 > 23 95 Ca 0.00000000000000 0.55159093372273 0.85759337149514 40.078 > 24 96 Ca 0.50000000000000 0.55159093372273 0.85759337149514 40.078 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1014868 0.0000000 0.0000000 0.0000000 5.2864398 0.0000000 0.0000000 0.0000000 5.4076912 -------------------------- Born effective charges -------------------------- 1 N -3.8456905 0.0000000 -1.3443266 0.0000000 -2.0631678 0.0000000 -0.9671069 -0.0000000 -3.0627402 2 N -3.8456905 0.0000000 1.3443266 0.0000000 -2.0631678 0.0000000 0.9671069 -0.0000000 -3.0627402 3 N -3.8456905 0.0000000 -1.3443266 0.0000000 -2.0631678 0.0000000 -0.9671069 -0.0000000 -3.0627402 4 N -3.8456905 0.0000000 1.3443266 0.0000000 -2.0631678 0.0000000 0.9671069 -0.0000000 -3.0627402 5 N -2.2503201 0.0000000 0.0000000 0.0000000 -3.4067616 0.1876078 0.0000000 0.4047007 -2.5318314 6 N -2.2503201 0.0000000 0.0000000 0.0000000 -3.4067616 0.1876078 0.0000000 0.4047007 -2.5318314 7 N -2.2503201 0.0000000 0.0000000 0.0000000 -3.4067616 -0.1876078 0.0000000 -0.4047007 -2.5318314 8 N -2.3297952 0.0000000 0.0000000 0.0000000 -2.7748594 0.4655801 0.0000000 0.6048468 -3.1756975 9 N -2.3297952 0.0000000 0.0000000 0.0000000 -2.7748594 -0.4655801 0.0000000 -0.6048468 -3.1756975 10 N -2.3297952 0.0000000 0.0000000 0.0000000 -2.7748594 -0.4655801 0.0000000 -0.6048468 -3.1756975 11 N -2.3297952 0.0000000 0.0000000 0.0000000 -2.7748594 0.4655801 0.0000000 0.6048468 -3.1756975 12 N -2.2503201 0.0000000 0.0000000 0.0000000 -3.4067616 -0.1876078 0.0000000 -0.4047007 -2.5318314 13 P 3.8886250 0.0000000 0.0000000 0.0000000 3.3507898 -0.2937513 0.0000000 0.1285491 3.7076298 14 P 3.8886250 0.0000000 0.0000000 0.0000000 3.3507898 0.2937513 0.0000000 -0.1285491 3.7076298 15 P 3.8886250 0.0000000 0.0000000 0.0000000 3.3507898 -0.2937513 0.0000000 0.1285491 3.7076298 16 P 3.8886250 0.0000000 0.0000000 0.0000000 3.3507898 0.2937513 0.0000000 -0.1285491 3.7076298 17 Ca 2.2448526 0.0000000 0.0000000 0.0000000 2.2960690 -0.1637811 0.0000000 -0.1272997 2.4891758 18 Ca 2.2448526 0.0000000 0.0000000 0.0000000 2.2960690 0.1637811 0.0000000 0.1272997 2.4891758 19 Ca 2.2448526 0.0000000 0.0000000 0.0000000 2.2960690 0.1637811 0.0000000 0.1272997 2.4891758 20 Ca 2.2448526 0.0000000 0.0000000 0.0000000 2.2960690 -0.1637811 0.0000000 -0.1272997 2.4891758 21 Ca 2.2923282 0.0000000 0.0000000 0.0000000 2.5979301 0.0565009 0.0000000 -0.0240246 2.5734635 22 Ca 2.2923282 0.0000000 0.0000000 0.0000000 2.5979301 0.0565009 0.0000000 -0.0240246 2.5734635 23 Ca 2.2923282 0.0000000 0.0000000 0.0000000 2.5979301 -0.0565009 0.0000000 0.0240246 2.5734635 24 Ca 2.2923282 0.0000000 0.0000000 0.0000000 2.5979301 -0.0565009 0.0000000 0.0240246 2.5734635 ---------------------------------------------------------------------------- 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: 1.645 Solver_block: 200 / 400 - Time: 1.625 Solver_block: 300 / 400 - Time: 1.623 Solver_block: 400 / 400 - Time: 1.623 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.549 --------------------------------- 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 2026-01-07 23:08:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:08:26]------------------------- 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 2.586150575000000 -5.127191809999999 0.000000000000000 b 2.586150575000000 5.127191809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.182105480000001 Atomic positions (fractional): 1 N 0.46026648629105 0.03973351370895 0.75000000000000 14.007 2 N 0.03973351370895 0.46026648629105 0.25000000000000 14.007 3 N 0.53973351370895 0.96026648629105 0.25000000000000 14.007 4 N 0.96026648629105 0.53973351370895 0.75000000000000 14.007 5 N 0.91240896607095 0.08759103392905 0.85988521090061 14.007 6 N 0.08759103392905 0.91240896607095 0.14011478909939 14.007 7 N 0.58759103392905 0.41240896607095 0.35988521090061 14.007 8 N 0.15971740596058 0.84028259403941 0.54860036773188 14.007 9 N 0.65971740596059 0.34028259403942 0.95139963226812 14.007 10 N 0.34028259403941 0.65971740596059 0.04860036773188 14.007 11 N 0.84028259403941 0.15971740596059 0.45139963226812 14.007 12 N 0.41240896607095 0.58759103392905 0.64011478909939 14.007 13 P 0.25554471213428 0.74445528786572 0.66452824675766 30.974 14 P 0.24445528786572 0.75554471213428 0.16452824675766 30.974 15 P 0.74445528786572 0.25554471213428 0.33547175324234 30.974 16 P 0.75554471213428 0.24445528786572 0.83547175324234 30.974 17 Ca 0.86245700986042 0.13754299013958 0.07410014515813 40.078 18 Ca 0.36245700986042 0.63754299013958 0.42589985484187 40.078 19 Ca 0.63754299013958 0.36245700986042 0.57410014515813 40.078 20 Ca 0.13754299013958 0.86245700986042 0.92589985484187 40.078 21 Ca 0.94840906627727 0.05159093372273 0.64240662850486 40.078 22 Ca 0.05159093372273 0.94840906627727 0.35759337149514 40.078 23 Ca 0.55159093372273 0.44840906627727 0.14240662850486 40.078 24 Ca 0.44840906627727 0.55159093372273 0.85759337149514 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.344602299999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.254383619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.182105480000001 Atomic positions (fractional): 1 N 0.37500000000000 0.28973351370895 0.75000000000000 14.007 > 1 2 N 0.87500000000000 0.28973351370895 0.75000000000000 14.007 > 1 3 N 0.12500000000000 0.21026648629105 0.25000000000000 14.007 > 3 4 N 0.62500000000000 0.21026648629105 0.25000000000000 14.007 > 3 5 N 0.37500000000000 0.21026648629105 0.25000000000000 14.007 > 5 6 N 0.87500000000000 0.21026648629105 0.25000000000000 14.007 > 5 7 N 0.12500000000000 0.28973351370895 0.75000000000000 14.007 > 7 8 N 0.62500000000000 0.28973351370895 0.75000000000000 14.007 > 7 9 N 0.00000000000000 0.08759103392905 0.85988521090061 14.007 > 9 10 N 0.50000000000000 0.08759103392905 0.85988521090061 14.007 > 9 11 N 0.25000000000000 0.41240896607095 0.14011478909939 14.007 > 11 12 N 0.75000000000000 0.41240896607095 0.14011478909939 14.007 > 11 13 N 0.00000000000000 0.41240896607095 0.35988521090061 14.007 > 13 14 N 0.50000000000000 0.41240896607095 0.35988521090061 14.007 > 13 15 N 0.25000000000000 0.34028259403942 0.54860036773188 14.007 > 15 16 N 0.75000000000000 0.34028259403942 0.54860036773188 14.007 > 15 17 N 0.00000000000000 0.34028259403942 0.95139963226812 14.007 > 17 18 N 0.50000000000000 0.34028259403942 0.95139963226812 14.007 > 17 19 N 0.25000000000000 0.15971740596059 0.04860036773188 14.007 > 19 20 N 0.75000000000000 0.15971740596059 0.04860036773188 14.007 > 19 21 N 0.00000000000000 0.15971740596059 0.45139963226812 14.007 > 21 22 N 0.50000000000000 0.15971740596059 0.45139963226812 14.007 > 21 23 N 0.25000000000000 0.08759103392905 0.64011478909939 14.007 > 23 24 N 0.75000000000000 0.08759103392905 0.64011478909939 14.007 > 23 25 N 0.12500000000000 0.78973351370895 0.75000000000000 14.007 > 1 26 N 0.62500000000000 0.78973351370895 0.75000000000000 14.007 > 1 27 N 0.37500000000000 0.71026648629105 0.25000000000000 14.007 > 3 28 N 0.87500000000000 0.71026648629105 0.25000000000000 14.007 > 3 29 N 0.12500000000000 0.71026648629105 0.25000000000000 14.007 > 5 30 N 0.62500000000000 0.71026648629105 0.25000000000000 14.007 > 5 31 N 0.37500000000000 0.78973351370895 0.75000000000000 14.007 > 7 32 N 0.87500000000000 0.78973351370895 0.75000000000000 14.007 > 7 33 N 0.25000000000000 0.58759103392905 0.85988521090061 14.007 > 9 34 N 0.75000000000000 0.58759103392905 0.85988521090061 14.007 > 9 35 N 0.00000000000000 0.91240896607095 0.14011478909939 14.007 > 11 36 N 0.50000000000000 0.91240896607095 0.14011478909939 14.007 > 11 37 N 0.25000000000000 0.91240896607095 0.35988521090061 14.007 > 13 38 N 0.75000000000000 0.91240896607095 0.35988521090061 14.007 > 13 39 N 0.00000000000000 0.84028259403941 0.54860036773188 14.007 > 15 40 N 0.50000000000000 0.84028259403941 0.54860036773188 14.007 > 15 41 N 0.25000000000000 0.84028259403941 0.95139963226812 14.007 > 17 42 N 0.75000000000000 0.84028259403941 0.95139963226812 14.007 > 17 43 N 0.00000000000000 0.65971740596059 0.04860036773188 14.007 > 19 44 N 0.50000000000000 0.65971740596059 0.04860036773188 14.007 > 19 45 N 0.25000000000000 0.65971740596059 0.45139963226812 14.007 > 21 46 N 0.75000000000000 0.65971740596059 0.45139963226812 14.007 > 21 47 N 0.00000000000000 0.58759103392905 0.64011478909939 14.007 > 23 48 N 0.50000000000000 0.58759103392905 0.64011478909939 14.007 > 23 49 P 0.25000000000000 0.24445528786572 0.66452824675766 30.974 > 49 50 P 0.75000000000000 0.24445528786572 0.66452824675766 30.974 > 49 51 P 0.25000000000000 0.25554471213428 0.16452824675766 30.974 > 51 52 P 0.75000000000000 0.25554471213428 0.16452824675766 30.974 > 51 53 P 0.00000000000000 0.25554471213428 0.33547175324234 30.974 > 53 54 P 0.50000000000000 0.25554471213428 0.33547175324234 30.974 > 53 55 P 0.00000000000000 0.24445528786572 0.83547175324234 30.974 > 55 56 P 0.50000000000000 0.24445528786572 0.83547175324234 30.974 > 55 57 P 0.00000000000000 0.74445528786572 0.66452824675766 30.974 > 49 58 P 0.50000000000000 0.74445528786572 0.66452824675766 30.974 > 49 59 P 0.00000000000000 0.75554471213428 0.16452824675766 30.974 > 51 60 P 0.50000000000000 0.75554471213428 0.16452824675766 30.974 > 51 61 P 0.25000000000000 0.75554471213428 0.33547175324234 30.974 > 53 62 P 0.75000000000000 0.75554471213428 0.33547175324234 30.974 > 53 63 P 0.25000000000000 0.74445528786572 0.83547175324234 30.974 > 55 64 P 0.75000000000000 0.74445528786572 0.83547175324234 30.974 > 55 65 Ca 0.00000000000000 0.13754299013958 0.07410014515813 40.078 > 65 66 Ca 0.50000000000000 0.13754299013958 0.07410014515813 40.078 > 65 67 Ca 0.25000000000000 0.13754299013958 0.42589985484187 40.078 > 67 68 Ca 0.75000000000000 0.13754299013958 0.42589985484187 40.078 > 67 69 Ca 0.00000000000000 0.36245700986042 0.57410014515813 40.078 > 69 70 Ca 0.50000000000000 0.36245700986042 0.57410014515813 40.078 > 69 71 Ca 0.25000000000000 0.36245700986042 0.92589985484187 40.078 > 71 72 Ca 0.75000000000000 0.36245700986042 0.92589985484187 40.078 > 71 73 Ca 0.00000000000000 0.05159093372273 0.64240662850486 40.078 > 73 74 Ca 0.50000000000000 0.05159093372273 0.64240662850486 40.078 > 73 75 Ca 0.25000000000000 0.44840906627727 0.35759337149514 40.078 > 75 76 Ca 0.75000000000000 0.44840906627727 0.35759337149514 40.078 > 75 77 Ca 0.00000000000000 0.44840906627727 0.14240662850486 40.078 > 77 78 Ca 0.50000000000000 0.44840906627727 0.14240662850486 40.078 > 77 79 Ca 0.25000000000000 0.05159093372273 0.85759337149514 40.078 > 79 80 Ca 0.75000000000000 0.05159093372273 0.85759337149514 40.078 > 79 81 Ca 0.25000000000000 0.63754299013958 0.07410014515813 40.078 > 65 82 Ca 0.75000000000000 0.63754299013958 0.07410014515813 40.078 > 65 83 Ca 0.00000000000000 0.63754299013958 0.42589985484187 40.078 > 67 84 Ca 0.50000000000000 0.63754299013958 0.42589985484187 40.078 > 67 85 Ca 0.25000000000000 0.86245700986042 0.57410014515813 40.078 > 69 86 Ca 0.75000000000000 0.86245700986042 0.57410014515813 40.078 > 69 87 Ca 0.00000000000000 0.86245700986042 0.92589985484187 40.078 > 71 88 Ca 0.50000000000000 0.86245700986042 0.92589985484187 40.078 > 71 89 Ca 0.25000000000000 0.55159093372273 0.64240662850486 40.078 > 73 90 Ca 0.75000000000000 0.55159093372273 0.64240662850486 40.078 > 73 91 Ca 0.00000000000000 0.94840906627727 0.35759337149514 40.078 > 75 92 Ca 0.50000000000000 0.94840906627727 0.35759337149514 40.078 > 75 93 Ca 0.25000000000000 0.94840906627727 0.14240662850486 40.078 > 77 94 Ca 0.75000000000000 0.94840906627727 0.14240662850486 40.078 > 77 95 Ca 0.00000000000000 0.55159093372273 0.85759337149514 40.078 > 79 96 Ca 0.50000000000000 0.55159093372273 0.85759337149514 40.078 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1014868 0.0000000 0.0000000 0.0000000 5.2864398 0.0000000 0.0000000 0.0000000 5.4076912 -------------------------- Born effective charges -------------------------- 1 N -3.8456905 0.0000000 -1.3443266 0.0000000 -2.0631678 0.0000000 -0.9671069 -0.0000000 -3.0627402 2 N -3.8456905 0.0000000 1.3443266 0.0000000 -2.0631678 0.0000000 0.9671069 -0.0000000 -3.0627402 3 N -3.8456905 0.0000000 -1.3443266 0.0000000 -2.0631678 0.0000000 -0.9671069 -0.0000000 -3.0627402 4 N -3.8456905 0.0000000 1.3443266 0.0000000 -2.0631678 0.0000000 0.9671069 -0.0000000 -3.0627402 5 N -2.2503201 0.0000000 0.0000000 0.0000000 -3.4067616 0.1876078 0.0000000 0.4047007 -2.5318314 6 N -2.2503201 0.0000000 0.0000000 0.0000000 -3.4067616 0.1876078 0.0000000 0.4047007 -2.5318314 7 N -2.2503201 0.0000000 0.0000000 0.0000000 -3.4067616 -0.1876078 0.0000000 -0.4047007 -2.5318314 8 N -2.3297952 0.0000000 0.0000000 0.0000000 -2.7748594 0.4655801 0.0000000 0.6048468 -3.1756975 9 N -2.3297952 0.0000000 0.0000000 0.0000000 -2.7748594 -0.4655801 0.0000000 -0.6048468 -3.1756975 10 N -2.3297952 0.0000000 0.0000000 0.0000000 -2.7748594 -0.4655801 0.0000000 -0.6048468 -3.1756975 11 N -2.3297952 0.0000000 0.0000000 0.0000000 -2.7748594 0.4655801 0.0000000 0.6048468 -3.1756975 12 N -2.2503201 0.0000000 0.0000000 0.0000000 -3.4067616 -0.1876078 0.0000000 -0.4047007 -2.5318314 13 P 3.8886250 0.0000000 0.0000000 0.0000000 3.3507898 -0.2937513 0.0000000 0.1285491 3.7076298 14 P 3.8886250 0.0000000 0.0000000 0.0000000 3.3507898 0.2937513 0.0000000 -0.1285491 3.7076298 15 P 3.8886250 0.0000000 0.0000000 0.0000000 3.3507898 -0.2937513 0.0000000 0.1285491 3.7076298 16 P 3.8886250 0.0000000 0.0000000 0.0000000 3.3507898 0.2937513 0.0000000 -0.1285491 3.7076298 17 Ca 2.2448526 0.0000000 0.0000000 0.0000000 2.2960690 -0.1637811 0.0000000 -0.1272997 2.4891758 18 Ca 2.2448526 0.0000000 0.0000000 0.0000000 2.2960690 0.1637811 0.0000000 0.1272997 2.4891758 19 Ca 2.2448526 0.0000000 0.0000000 0.0000000 2.2960690 0.1637811 0.0000000 0.1272997 2.4891758 20 Ca 2.2448526 0.0000000 0.0000000 0.0000000 2.2960690 -0.1637811 0.0000000 -0.1272997 2.4891758 21 Ca 2.2923282 0.0000000 0.0000000 0.0000000 2.5979301 0.0565009 0.0000000 -0.0240246 2.5734635 22 Ca 2.2923282 0.0000000 0.0000000 0.0000000 2.5979301 0.0565009 0.0000000 -0.0240246 2.5734635 23 Ca 2.2923282 0.0000000 0.0000000 0.0000000 2.5979301 -0.0565009 0.0000000 0.0240246 2.5734635 24 Ca 2.2923282 0.0000000 0.0000000 0.0000000 2.5979301 -0.0565009 0.0000000 0.0240246 2.5734635 ---------------------------------------------------------------------------- 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 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:08:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:08:43]------------------------- 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 2.586150575000000 -5.127191809999999 0.000000000000000 b 2.586150575000000 5.127191809999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.182105480000001 Atomic positions (fractional): 1 N 0.46026648629105 0.03973351370895 0.75000000000000 14.007 2 N 0.03973351370895 0.46026648629105 0.25000000000000 14.007 3 N 0.53973351370895 0.96026648629105 0.25000000000000 14.007 4 N 0.96026648629105 0.53973351370895 0.75000000000000 14.007 5 N 0.91240896607095 0.08759103392905 0.85988521090061 14.007 6 N 0.08759103392905 0.91240896607095 0.14011478909939 14.007 7 N 0.58759103392905 0.41240896607095 0.35988521090061 14.007 8 N 0.15971740596058 0.84028259403941 0.54860036773188 14.007 9 N 0.65971740596059 0.34028259403942 0.95139963226812 14.007 10 N 0.34028259403941 0.65971740596059 0.04860036773188 14.007 11 N 0.84028259403941 0.15971740596059 0.45139963226812 14.007 12 N 0.41240896607095 0.58759103392905 0.64011478909939 14.007 13 P 0.25554471213428 0.74445528786572 0.66452824675766 30.974 14 P 0.24445528786572 0.75554471213428 0.16452824675766 30.974 15 P 0.74445528786572 0.25554471213428 0.33547175324234 30.974 16 P 0.75554471213428 0.24445528786572 0.83547175324234 30.974 17 Ca 0.86245700986042 0.13754299013958 0.07410014515813 40.078 18 Ca 0.36245700986042 0.63754299013958 0.42589985484187 40.078 19 Ca 0.63754299013958 0.36245700986042 0.57410014515813 40.078 20 Ca 0.13754299013958 0.86245700986042 0.92589985484187 40.078 21 Ca 0.94840906627727 0.05159093372273 0.64240662850486 40.078 22 Ca 0.05159093372273 0.94840906627727 0.35759337149514 40.078 23 Ca 0.55159093372273 0.44840906627727 0.14240662850486 40.078 24 Ca 0.44840906627727 0.55159093372273 0.85759337149514 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.344602299999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.254383619999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.182105480000001 Atomic positions (fractional): 1 N 0.37500000000000 0.28973351370895 0.75000000000000 14.007 > 1 2 N 0.87500000000000 0.28973351370895 0.75000000000000 14.007 > 1 3 N 0.12500000000000 0.21026648629105 0.25000000000000 14.007 > 3 4 N 0.62500000000000 0.21026648629105 0.25000000000000 14.007 > 3 5 N 0.37500000000000 0.21026648629105 0.25000000000000 14.007 > 5 6 N 0.87500000000000 0.21026648629105 0.25000000000000 14.007 > 5 7 N 0.12500000000000 0.28973351370895 0.75000000000000 14.007 > 7 8 N 0.62500000000000 0.28973351370895 0.75000000000000 14.007 > 7 9 N 0.00000000000000 0.08759103392905 0.85988521090061 14.007 > 9 10 N 0.50000000000000 0.08759103392905 0.85988521090061 14.007 > 9 11 N 0.25000000000000 0.41240896607095 0.14011478909939 14.007 > 11 12 N 0.75000000000000 0.41240896607095 0.14011478909939 14.007 > 11 13 N 0.00000000000000 0.41240896607095 0.35988521090061 14.007 > 13 14 N 0.50000000000000 0.41240896607095 0.35988521090061 14.007 > 13 15 N 0.25000000000000 0.34028259403942 0.54860036773188 14.007 > 15 16 N 0.75000000000000 0.34028259403942 0.54860036773188 14.007 > 15 17 N 0.00000000000000 0.34028259403942 0.95139963226812 14.007 > 17 18 N 0.50000000000000 0.34028259403942 0.95139963226812 14.007 > 17 19 N 0.25000000000000 0.15971740596059 0.04860036773188 14.007 > 19 20 N 0.75000000000000 0.15971740596059 0.04860036773188 14.007 > 19 21 N 0.00000000000000 0.15971740596059 0.45139963226812 14.007 > 21 22 N 0.50000000000000 0.15971740596059 0.45139963226812 14.007 > 21 23 N 0.25000000000000 0.08759103392905 0.64011478909939 14.007 > 23 24 N 0.75000000000000 0.08759103392905 0.64011478909939 14.007 > 23 25 N 0.12500000000000 0.78973351370895 0.75000000000000 14.007 > 1 26 N 0.62500000000000 0.78973351370895 0.75000000000000 14.007 > 1 27 N 0.37500000000000 0.71026648629105 0.25000000000000 14.007 > 3 28 N 0.87500000000000 0.71026648629105 0.25000000000000 14.007 > 3 29 N 0.12500000000000 0.71026648629105 0.25000000000000 14.007 > 5 30 N 0.62500000000000 0.71026648629105 0.25000000000000 14.007 > 5 31 N 0.37500000000000 0.78973351370895 0.75000000000000 14.007 > 7 32 N 0.87500000000000 0.78973351370895 0.75000000000000 14.007 > 7 33 N 0.25000000000000 0.58759103392905 0.85988521090061 14.007 > 9 34 N 0.75000000000000 0.58759103392905 0.85988521090061 14.007 > 9 35 N 0.00000000000000 0.91240896607095 0.14011478909939 14.007 > 11 36 N 0.50000000000000 0.91240896607095 0.14011478909939 14.007 > 11 37 N 0.25000000000000 0.91240896607095 0.35988521090061 14.007 > 13 38 N 0.75000000000000 0.91240896607095 0.35988521090061 14.007 > 13 39 N 0.00000000000000 0.84028259403941 0.54860036773188 14.007 > 15 40 N 0.50000000000000 0.84028259403941 0.54860036773188 14.007 > 15 41 N 0.25000000000000 0.84028259403941 0.95139963226812 14.007 > 17 42 N 0.75000000000000 0.84028259403941 0.95139963226812 14.007 > 17 43 N 0.00000000000000 0.65971740596059 0.04860036773188 14.007 > 19 44 N 0.50000000000000 0.65971740596059 0.04860036773188 14.007 > 19 45 N 0.25000000000000 0.65971740596059 0.45139963226812 14.007 > 21 46 N 0.75000000000000 0.65971740596059 0.45139963226812 14.007 > 21 47 N 0.00000000000000 0.58759103392905 0.64011478909939 14.007 > 23 48 N 0.50000000000000 0.58759103392905 0.64011478909939 14.007 > 23 49 P 0.25000000000000 0.24445528786572 0.66452824675766 30.974 > 49 50 P 0.75000000000000 0.24445528786572 0.66452824675766 30.974 > 49 51 P 0.25000000000000 0.25554471213428 0.16452824675766 30.974 > 51 52 P 0.75000000000000 0.25554471213428 0.16452824675766 30.974 > 51 53 P 0.00000000000000 0.25554471213428 0.33547175324234 30.974 > 53 54 P 0.50000000000000 0.25554471213428 0.33547175324234 30.974 > 53 55 P 0.00000000000000 0.24445528786572 0.83547175324234 30.974 > 55 56 P 0.50000000000000 0.24445528786572 0.83547175324234 30.974 > 55 57 P 0.00000000000000 0.74445528786572 0.66452824675766 30.974 > 49 58 P 0.50000000000000 0.74445528786572 0.66452824675766 30.974 > 49 59 P 0.00000000000000 0.75554471213428 0.16452824675766 30.974 > 51 60 P 0.50000000000000 0.75554471213428 0.16452824675766 30.974 > 51 61 P 0.25000000000000 0.75554471213428 0.33547175324234 30.974 > 53 62 P 0.75000000000000 0.75554471213428 0.33547175324234 30.974 > 53 63 P 0.25000000000000 0.74445528786572 0.83547175324234 30.974 > 55 64 P 0.75000000000000 0.74445528786572 0.83547175324234 30.974 > 55 65 Ca 0.00000000000000 0.13754299013958 0.07410014515813 40.078 > 65 66 Ca 0.50000000000000 0.13754299013958 0.07410014515813 40.078 > 65 67 Ca 0.25000000000000 0.13754299013958 0.42589985484187 40.078 > 67 68 Ca 0.75000000000000 0.13754299013958 0.42589985484187 40.078 > 67 69 Ca 0.00000000000000 0.36245700986042 0.57410014515813 40.078 > 69 70 Ca 0.50000000000000 0.36245700986042 0.57410014515813 40.078 > 69 71 Ca 0.25000000000000 0.36245700986042 0.92589985484187 40.078 > 71 72 Ca 0.75000000000000 0.36245700986042 0.92589985484187 40.078 > 71 73 Ca 0.00000000000000 0.05159093372273 0.64240662850486 40.078 > 73 74 Ca 0.50000000000000 0.05159093372273 0.64240662850486 40.078 > 73 75 Ca 0.25000000000000 0.44840906627727 0.35759337149514 40.078 > 75 76 Ca 0.75000000000000 0.44840906627727 0.35759337149514 40.078 > 75 77 Ca 0.00000000000000 0.44840906627727 0.14240662850486 40.078 > 77 78 Ca 0.50000000000000 0.44840906627727 0.14240662850486 40.078 > 77 79 Ca 0.25000000000000 0.05159093372273 0.85759337149514 40.078 > 79 80 Ca 0.75000000000000 0.05159093372273 0.85759337149514 40.078 > 79 81 Ca 0.25000000000000 0.63754299013958 0.07410014515813 40.078 > 65 82 Ca 0.75000000000000 0.63754299013958 0.07410014515813 40.078 > 65 83 Ca 0.00000000000000 0.63754299013958 0.42589985484187 40.078 > 67 84 Ca 0.50000000000000 0.63754299013958 0.42589985484187 40.078 > 67 85 Ca 0.25000000000000 0.86245700986042 0.57410014515813 40.078 > 69 86 Ca 0.75000000000000 0.86245700986042 0.57410014515813 40.078 > 69 87 Ca 0.00000000000000 0.86245700986042 0.92589985484187 40.078 > 71 88 Ca 0.50000000000000 0.86245700986042 0.92589985484187 40.078 > 71 89 Ca 0.25000000000000 0.55159093372273 0.64240662850486 40.078 > 73 90 Ca 0.75000000000000 0.55159093372273 0.64240662850486 40.078 > 73 91 Ca 0.00000000000000 0.94840906627727 0.35759337149514 40.078 > 75 92 Ca 0.50000000000000 0.94840906627727 0.35759337149514 40.078 > 75 93 Ca 0.25000000000000 0.94840906627727 0.14240662850486 40.078 > 77 94 Ca 0.75000000000000 0.94840906627727 0.14240662850486 40.078 > 77 95 Ca 0.00000000000000 0.55159093372273 0.85759337149514 40.078 > 79 96 Ca 0.50000000000000 0.55159093372273 0.85759337149514 40.078 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1014868 0.0000000 0.0000000 0.0000000 5.2864398 0.0000000 0.0000000 0.0000000 5.4076912 -------------------------- Born effective charges -------------------------- 1 N -3.8456905 0.0000000 -1.3443266 0.0000000 -2.0631678 0.0000000 -0.9671069 -0.0000000 -3.0627402 2 N -3.8456905 0.0000000 1.3443266 0.0000000 -2.0631678 0.0000000 0.9671069 -0.0000000 -3.0627402 3 N -3.8456905 0.0000000 -1.3443266 0.0000000 -2.0631678 0.0000000 -0.9671069 -0.0000000 -3.0627402 4 N -3.8456905 0.0000000 1.3443266 0.0000000 -2.0631678 0.0000000 0.9671069 -0.0000000 -3.0627402 5 N -2.2503201 0.0000000 0.0000000 0.0000000 -3.4067616 0.1876078 0.0000000 0.4047007 -2.5318314 6 N -2.2503201 0.0000000 0.0000000 0.0000000 -3.4067616 0.1876078 0.0000000 0.4047007 -2.5318314 7 N -2.2503201 0.0000000 0.0000000 0.0000000 -3.4067616 -0.1876078 0.0000000 -0.4047007 -2.5318314 8 N -2.3297952 0.0000000 0.0000000 0.0000000 -2.7748594 0.4655801 0.0000000 0.6048468 -3.1756975 9 N -2.3297952 0.0000000 0.0000000 0.0000000 -2.7748594 -0.4655801 0.0000000 -0.6048468 -3.1756975 10 N -2.3297952 0.0000000 0.0000000 0.0000000 -2.7748594 -0.4655801 0.0000000 -0.6048468 -3.1756975 11 N -2.3297952 0.0000000 0.0000000 0.0000000 -2.7748594 0.4655801 0.0000000 0.6048468 -3.1756975 12 N -2.2503201 0.0000000 0.0000000 0.0000000 -3.4067616 -0.1876078 0.0000000 -0.4047007 -2.5318314 13 P 3.8886250 0.0000000 0.0000000 0.0000000 3.3507898 -0.2937513 0.0000000 0.1285491 3.7076298 14 P 3.8886250 0.0000000 0.0000000 0.0000000 3.3507898 0.2937513 0.0000000 -0.1285491 3.7076298 15 P 3.8886250 0.0000000 0.0000000 0.0000000 3.3507898 -0.2937513 0.0000000 0.1285491 3.7076298 16 P 3.8886250 0.0000000 0.0000000 0.0000000 3.3507898 0.2937513 0.0000000 -0.1285491 3.7076298 17 Ca 2.2448526 0.0000000 0.0000000 0.0000000 2.2960690 -0.1637811 0.0000000 -0.1272997 2.4891758 18 Ca 2.2448526 0.0000000 0.0000000 0.0000000 2.2960690 0.1637811 0.0000000 0.1272997 2.4891758 19 Ca 2.2448526 0.0000000 0.0000000 0.0000000 2.2960690 0.1637811 0.0000000 0.1272997 2.4891758 20 Ca 2.2448526 0.0000000 0.0000000 0.0000000 2.2960690 -0.1637811 0.0000000 -0.1272997 2.4891758 21 Ca 2.2923282 0.0000000 0.0000000 0.0000000 2.5979301 0.0565009 0.0000000 -0.0240246 2.5734635 22 Ca 2.2923282 0.0000000 0.0000000 0.0000000 2.5979301 0.0565009 0.0000000 -0.0240246 2.5734635 23 Ca 2.2923282 0.0000000 0.0000000 0.0000000 2.5979301 -0.0565009 0.0000000 0.0240246 2.5734635 24 Ca 2.2923282 0.0000000 0.0000000 0.0000000 2.5979301 -0.0565009 0.0000000 0.0240246 2.5734635 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (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 ... [ 11 11 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: 0.62, Number of G-points: 309, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 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 3.156 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.606 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 5.643 ( 0.000 0.000 0.000) 0.000 6.065 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.739 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.385 ( 0.000 0.000 0.000) 0.000 7.421 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.581 ( 0.000 0.000 0.000) 0.000 7.635 ( 0.000 0.000 0.000) 0.000 7.853 ( 0.000 0.000 0.000) 0.000 7.984 ( 0.000 0.000 0.000) 0.000 8.035 ( 0.000 0.000 0.000) 0.000 8.053 ( 0.000 0.000 0.000) 0.000 8.855 ( 0.000 0.000 0.000) 0.000 9.327 ( 0.000 0.000 0.000) 0.000 9.473 ( 0.000 0.000 0.000) 0.000 9.732 ( 0.000 0.000 0.000) 0.000 9.876 ( 0.000 0.000 0.000) 0.000 10.157 ( 0.000 0.000 0.000) 0.000 10.621 ( 0.000 0.000 0.000) 0.000 10.667 ( 0.000 0.000 0.000) 0.000 10.748 ( 0.000 0.000 0.000) 0.000 11.077 ( 0.000 0.000 0.000) 0.000 11.152 ( 0.000 0.000 0.000) 0.000 13.088 ( 0.000 0.000 0.000) 0.000 13.220 ( 0.000 0.000 0.000) 0.000 13.567 ( 0.000 0.000 0.000) 0.000 13.860 ( 0.000 0.000 0.000) 0.000 14.161 ( 0.000 0.000 0.000) 0.000 14.352 ( 0.000 0.000 0.000) 0.000 14.365 ( 0.000 0.000 0.000) 0.000 14.697 ( 0.000 0.000 0.000) 0.000 15.381 ( 0.000 0.000 0.000) 0.000 15.923 ( 0.000 0.000 0.000) 0.000 16.024 ( 0.000 0.000 0.000) 0.000 17.280 ( 0.000 0.000 0.000) 0.000 17.548 ( 0.000 0.000 0.000) 0.000 18.260 ( 0.000 0.000 0.000) 0.000 18.483 ( 0.000 0.000 0.000) 0.000 18.781 ( 0.000 0.000 0.000) 0.000 19.948 ( 0.000 0.000 0.000) 0.000 19.997 ( 0.000 0.000 0.000) 0.000 25.481 ( 0.000 0.000 0.000) 0.000 26.651 ( 0.000 0.000 0.000) 0.000 26.989 ( 0.000 0.000 0.000) 0.000 27.004 ( 0.000 0.000 0.000) 0.000 27.348 ( 0.000 0.000 0.000) 0.000 27.463 ( 0.000 0.000 0.000) 0.000 27.761 ( 0.000 0.000 0.000) 0.000 27.959 ( 0.000 0.000 0.000) 0.000 28.002 ( 0.000 0.000 0.000) 0.000 29.084 ( 0.000 0.000 0.000) 0.000 32.069 ( 0.000 0.000 0.000) 0.000 32.902 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 44.755 -12.566 0.000) 46.486 0.947 ( 26.863 -52.814 0.000) 59.253 1.654 ( 84.225 -12.722 0.000) 85.180 3.224 ( 4.273 -2.956 0.000) 5.195 3.408 ( 5.488 -13.356 0.000) 14.440 3.694 ( 30.751 0.559 0.000) 30.756 4.255 ( 11.733 -4.029 0.000) 12.406 4.412 ( 8.322 0.590 0.000) 8.343 4.657 ( 2.007 -1.050 0.000) 2.265 4.694 ( 10.054 -2.243 0.000) 10.301 4.750 ( 2.753 0.203 0.000) 2.760 5.319 ( 14.245 5.493 0.000) 15.268 5.591 ( -2.259 0.730 0.000) 2.374 6.010 ( -5.621 -0.767 0.000) 5.673 6.125 ( -8.665 -0.711 0.000) 8.694 6.345 ( 0.231 4.825 0.000) 4.830 6.370 ( -3.301 -0.281 0.000) 3.313 6.577 ( 2.867 -4.593 0.000) 5.414 6.647 ( 1.641 -0.785 0.000) 1.819 6.678 ( -2.287 9.449 0.000) 9.722 6.921 ( -7.931 0.100 0.000) 7.932 7.056 ( -1.664 11.549 0.000) 11.668 7.348 ( 2.352 10.763 0.000) 11.017 7.532 ( 12.743 7.604 0.000) 14.839 7.638 ( 4.438 -2.197 0.000) 4.952 7.657 ( 12.859 1.131 0.000) 12.908 7.706 ( -4.956 -7.661 0.000) 9.124 7.859 ( -2.616 -3.339 0.000) 4.241 8.059 ( 6.525 -6.080 0.000) 8.919 8.201 ( 16.040 0.924 0.000) 16.067 8.624 ( 0.949 3.817 0.000) 3.933 8.947 ( 8.509 2.409 0.000) 8.844 9.189 ( -17.812 3.823 0.000) 18.217 9.305 ( -4.079 -1.619 0.000) 4.389 9.746 ( 1.288 -1.010 0.000) 1.637 10.218 ( 26.782 0.671 0.000) 26.790 10.302 ( 13.467 -4.512 0.000) 14.202 10.657 ( 4.347 -0.432 0.000) 4.369 10.693 ( 3.886 1.819 0.000) 4.290 10.909 ( -14.122 -27.268 0.000) 30.708 11.106 ( 2.770 -0.721 0.000) 2.862 11.151 ( -0.171 0.017 0.000) 0.172 13.001 ( -9.114 0.890 0.000) 9.157 13.187 ( -3.051 1.305 0.000) 3.318 13.367 ( -19.774 -0.395 0.000) 19.778 13.761 ( -8.200 4.128 0.000) 9.180 14.283 ( -6.580 1.452 0.000) 6.739 14.465 ( 8.386 1.044 0.000) 8.451 14.764 ( 6.350 -0.168 0.000) 6.352 15.499 ( 13.680 2.615 0.000) 13.928 15.931 ( -3.245 1.562 0.000) 3.602 16.040 ( 6.370 -2.029 0.000) 6.685 16.709 ( 50.291 93.571 0.000) 106.230 17.317 ( -1.619 0.570 0.000) 1.716 17.519 ( -2.685 0.947 0.000) 2.847 17.959 ( -30.025 1.014 0.000) 30.042 18.467 ( -0.997 1.418 0.000) 1.733 18.959 ( -12.654 -23.150 0.000) 26.383 19.977 ( -2.547 -0.147 0.000) 2.551 20.058 ( 9.289 0.032 0.000) 9.289 25.518 ( 3.637 -0.834 0.000) 3.731 26.633 ( 3.451 10.994 0.000) 11.523 26.869 ( -10.402 -2.272 0.000) 10.647 27.337 ( 7.353 15.393 0.000) 17.059 27.576 ( 9.115 -6.324 0.000) 11.094 27.765 ( 0.418 -1.194 0.000) 1.265 27.936 ( -1.420 -2.297 0.000) 2.700 28.066 ( 1.416 -9.786 0.000) 9.888 28.906 ( 31.365 33.547 0.000) 45.926 30.522 ( -19.180 -39.684 0.000) 44.076 32.053 ( -1.930 -0.212 0.000) 1.941 32.784 ( -11.481 2.518 0.000) 11.754 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 42.430 -14.690 0.000) 44.901 1.869 ( 26.591 -48.384 0.000) 55.209 3.125 ( 69.139 -11.518 0.000) 70.092 3.342 ( 6.584 -3.290 0.000) 7.360 3.738 ( 12.135 -21.990 0.000) 25.116 4.089 ( 13.493 5.483 0.000) 14.565 4.519 ( 12.639 -2.765 0.000) 12.938 4.623 ( 14.103 -0.480 0.000) 14.111 4.723 ( 4.671 -2.471 0.000) 5.285 4.815 ( 4.192 -0.636 0.000) 4.240 5.029 ( 15.616 -5.425 0.000) 16.531 5.380 ( 7.646 13.756 0.000) 15.738 5.726 ( 13.572 -3.687 0.000) 14.063 5.917 ( -6.309 -2.739 0.000) 6.877 5.963 ( -10.731 -1.229 0.000) 10.801 6.256 ( -2.121 9.554 0.000) 9.786 6.309 ( -4.292 -2.619 0.000) 5.028 6.530 ( -2.729 9.225 0.000) 9.620 6.641 ( -0.773 0.381 0.000) 0.862 6.683 ( -0.413 -5.781 0.000) 5.796 6.838 ( -0.575 -3.399 0.000) 3.447 6.957 ( -3.491 0.929 0.000) 3.612 7.306 ( 5.305 12.545 0.000) 13.621 7.667 ( -0.747 -2.435 0.000) 2.547 7.712 ( 7.890 3.799 0.000) 8.757 7.746 ( 5.542 -1.502 0.000) 5.742 7.832 ( -1.028 -0.603 0.000) 1.192 7.885 ( 13.703 2.628 0.000) 13.953 8.314 ( 17.876 -1.074 0.000) 17.908 8.568 ( 26.842 -0.821 0.000) 26.854 8.712 ( 10.217 -0.697 0.000) 10.240 8.892 ( -9.660 6.458 0.000) 11.619 9.081 ( 12.875 7.737 0.000) 15.021 9.223 ( -6.926 -1.731 0.000) 7.139 9.803 ( 3.310 -2.666 0.000) 4.250 10.592 ( 10.025 -3.149 0.000) 10.508 10.661 ( 20.188 -3.861 0.000) 20.554 10.774 ( 7.004 -0.706 0.000) 7.040 10.866 ( 24.924 4.568 0.000) 25.339 10.900 ( -4.463 -7.862 0.000) 9.040 11.147 ( 0.247 0.722 0.000) 0.763 11.177 ( 4.037 -0.990 0.000) 4.157 12.772 ( -14.973 1.803 0.000) 15.081 12.965 ( -24.813 0.007 0.000) 24.813 13.097 ( -4.705 2.915 0.000) 5.535 13.558 ( -8.079 7.139 0.000) 10.781 14.111 ( -11.082 1.837 0.000) 11.233 14.527 ( -2.735 0.965 0.000) 2.900 14.880 ( 5.930 0.075 0.000) 5.930 15.752 ( 14.152 5.168 0.000) 15.066 15.867 ( 3.633 -0.026 0.000) 3.634 16.257 ( 15.394 -0.437 0.000) 15.400 16.778 ( 23.604 38.322 0.000) 45.008 17.270 ( -3.690 -0.251 0.000) 3.698 17.319 ( -39.071 1.002 0.000) 39.084 17.449 ( -2.504 3.033 0.000) 3.933 18.432 ( -0.307 3.094 0.000) 3.109 18.943 ( -4.185 -7.309 0.000) 8.423 19.899 ( -6.989 -0.434 0.000) 7.002 20.173 ( 2.305 0.106 0.000) 2.307 25.619 ( 6.641 -1.455 0.000) 6.799 26.576 ( 4.585 17.717 0.000) 18.301 26.718 ( -10.769 -5.825 0.000) 12.243 27.244 ( -5.987 7.336 0.000) 9.469 27.742 ( 5.162 -0.841 0.000) 5.230 27.811 ( 2.253 -3.772 0.000) 4.393 28.053 ( 6.528 -12.666 0.000) 14.250 28.189 ( 0.662 -12.353 0.000) 12.371 29.251 ( 29.885 11.135 0.000) 31.892 30.559 ( 1.072 -5.310 0.000) 5.417 32.001 ( -4.602 -0.523 0.000) 4.632 32.488 ( -18.220 3.276 0.000) 18.512 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 37.580 -17.140 0.000) 41.304 2.729 ( 25.232 -42.367 0.000) 49.311 3.522 ( 9.727 -4.768 0.000) 10.832 4.153 ( 12.506 -19.223 0.000) 22.933 4.157 ( 12.479 6.698 0.000) 14.163 4.223 ( 35.946 -3.610 0.000) 36.127 4.710 ( 8.153 0.482 0.000) 8.167 4.784 ( 3.122 -2.519 0.000) 4.012 4.884 ( 8.770 3.152 0.000) 9.320 4.886 ( 2.257 -1.030 0.000) 2.481 5.064 ( -5.188 -2.286 0.000) 5.669 5.588 ( 19.861 5.815 0.000) 20.695 5.748 ( -13.022 2.844 0.000) 13.329 5.821 ( -7.484 0.063 0.000) 7.485 5.916 ( 4.719 2.702 0.000) 5.438 6.163 ( 0.042 3.655 0.000) 3.655 6.284 ( -0.574 0.885 0.000) 1.055 6.512 ( 4.413 -3.846 0.000) 5.854 6.592 ( -0.731 4.379 0.000) 4.440 6.720 ( -1.408 -7.905 0.000) 8.030 6.907 ( -2.334 -1.140 0.000) 2.597 6.922 ( 3.946 -3.163 0.000) 5.057 7.322 ( 7.415 10.079 0.000) 12.513 7.610 ( -4.517 -0.289 0.000) 4.526 7.796 ( -3.789 -12.819 0.000) 13.368 7.847 ( 3.361 -3.418 0.000) 4.794 7.906 ( 13.691 10.373 0.000) 17.177 8.072 ( 9.739 1.272 0.000) 9.821 8.629 ( 15.725 2.170 0.000) 15.874 8.756 ( 1.957 9.146 0.000) 9.353 8.890 ( 6.199 1.111 0.000) 6.298 9.094 ( -9.502 -1.900 0.000) 9.690 9.194 ( 42.484 -1.996 0.000) 42.531 9.384 ( 33.002 6.938 0.000) 33.723 9.904 ( 4.800 -3.750 0.000) 6.091 10.717 ( 3.745 -2.798 0.000) 4.675 10.801 ( 1.936 4.530 0.000) 4.927 10.918 ( 1.482 -4.678 0.000) 4.907 11.149 ( 16.681 -3.362 0.000) 17.016 11.155 ( 10.038 0.330 0.000) 10.043 11.255 ( 3.838 -0.825 0.000) 3.925 11.333 ( 30.016 6.020 0.000) 30.614 12.455 ( -19.077 2.116 0.000) 19.194 12.527 ( -24.204 -0.053 0.000) 24.204 12.987 ( -3.429 4.653 0.000) 5.779 13.372 ( -5.423 7.848 0.000) 9.539 13.861 ( -15.998 1.151 0.000) 16.039 14.316 ( -19.875 0.442 0.000) 19.880 14.961 ( 3.488 -0.091 0.000) 3.489 15.842 ( 6.251 0.892 0.000) 6.314 16.141 ( 21.615 4.659 0.000) 22.112 16.543 ( 10.497 2.831 0.000) 10.872 16.649 ( -28.106 -0.249 0.000) 28.107 16.828 ( 8.229 15.921 0.000) 17.922 17.185 ( -6.831 -2.007 0.000) 7.120 17.407 ( 0.609 2.438 0.000) 2.513 18.422 ( 4.648 6.095 0.000) 7.666 18.958 ( 2.648 -0.303 0.000) 2.665 19.730 ( -13.119 -1.170 0.000) 13.171 20.118 ( -8.555 -0.483 0.000) 8.568 25.772 ( 8.969 -1.843 0.000) 9.156 26.489 ( 4.438 19.114 0.000) 19.623 26.590 ( -11.135 -8.565 0.000) 14.048 27.022 ( -12.282 5.053 0.000) 13.280 27.834 ( 4.495 -1.925 0.000) 4.890 27.901 ( 3.561 -4.135 0.000) 5.456 28.272 ( 1.524 -16.984 0.000) 17.053 28.290 ( -0.560 -9.870 0.000) 9.886 29.736 ( 33.416 6.508 0.000) 34.044 30.670 ( 13.197 7.882 0.000) 15.371 31.894 ( -8.577 -1.156 0.000) 8.654 32.117 ( -20.701 2.207 0.000) 20.818 ======================= Grid point 4 (5/108) ======================= q-point: ( 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( 29.738 -18.754 0.000) 35.158 3.496 ( 22.509 -35.186 0.000) 41.770 3.756 ( 10.805 -6.416 0.000) 12.567 4.171 ( 5.419 11.841 0.000) 13.022 4.460 ( 8.020 -7.400 0.000) 10.912 4.641 ( -0.996 -1.055 0.000) 1.451 4.780 ( 3.607 1.936 0.000) 4.094 4.807 ( 2.114 -0.413 0.000) 2.154 4.913 ( 0.724 1.735 0.000) 1.880 4.917 ( 1.727 -0.443 0.000) 1.783 5.083 ( 4.336 6.336 0.000) 7.677 5.449 ( -13.050 11.321 0.000) 17.276 5.672 ( -7.196 0.680 0.000) 7.228 5.809 ( 0.653 2.033 0.000) 2.136 6.032 ( 16.106 -4.173 0.000) 16.637 6.189 ( 0.673 -5.041 0.000) 5.086 6.278 ( 2.754 1.207 0.000) 3.007 6.539 ( 0.852 7.848 0.000) 7.895 6.628 ( 2.901 -4.024 0.000) 4.961 6.805 ( 0.879 -11.632 0.000) 11.665 6.905 ( -0.557 -4.323 0.000) 4.359 6.991 ( 2.292 0.334 0.000) 2.316 7.339 ( 5.239 13.588 0.000) 14.563 7.514 ( -6.192 1.297 0.000) 6.327 7.879 ( -1.237 -15.421 0.000) 15.470 7.934 ( 1.442 -7.117 0.000) 7.262 8.073 ( 14.546 7.882 0.000) 16.544 8.232 ( 7.471 -4.256 0.000) 8.598 8.758 ( 4.971 9.006 0.000) 10.287 8.795 ( 6.596 4.471 0.000) 7.968 8.898 ( -0.794 4.236 0.000) 4.310 8.933 ( -8.720 -0.209 0.000) 8.723 9.992 ( 36.853 -0.761 0.000) 36.861 10.034 ( 5.881 -4.471 0.000) 7.387 10.050 ( 45.514 -0.281 0.000) 45.515 10.780 ( 5.164 7.466 0.000) 9.078 10.793 ( 3.029 -0.779 0.000) 3.127 10.988 ( 1.803 -3.177 0.000) 3.653 11.211 ( 7.662 3.733 0.000) 8.523 11.314 ( 1.767 -0.565 0.000) 1.855 11.623 ( 23.167 -5.609 0.000) 23.837 11.740 ( 18.068 7.116 0.000) 19.419 12.092 ( -17.457 -0.390 0.000) 17.461 12.126 ( -21.793 -0.028 0.000) 21.793 12.923 ( 2.427 5.755 0.000) 6.245 13.224 ( -3.805 7.533 0.000) 8.440 13.533 ( -20.519 -0.814 0.000) 20.536 13.872 ( -29.160 -0.878 0.000) 29.173 15.026 ( 4.378 -0.796 0.000) 4.450 15.856 ( -14.701 2.505 0.000) 14.913 16.176 ( -4.247 -2.266 0.000) 4.814 16.474 ( 21.033 6.200 0.000) 21.928 16.755 ( -5.182 6.333 0.000) 8.183 16.868 ( 18.740 4.653 0.000) 19.309 17.087 ( -7.515 -4.100 0.000) 8.561 17.395 ( -3.779 -3.497 0.000) 5.149 18.518 ( 14.760 9.393 0.000) 17.495 19.059 ( 10.720 3.370 0.000) 11.238 19.461 ( -19.271 -2.826 0.000) 19.477 19.898 ( -16.933 -1.791 0.000) 17.028 25.965 ( 10.984 -2.076 0.000) 11.178 26.408 ( 5.102 17.152 0.000) 17.895 26.479 ( -10.963 -10.405 0.000) 15.114 26.745 ( -14.282 3.793 0.000) 14.777 27.931 ( 4.566 -1.440 0.000) 4.788 27.992 ( 2.684 -3.134 0.000) 4.127 28.347 ( 0.358 -3.820 0.000) 3.836 28.389 ( -5.005 -16.729 0.000) 17.462 30.282 ( 33.890 5.228 0.000) 34.291 30.884 ( 20.367 11.021 0.000) 23.158 31.703 ( -17.646 -1.068 0.000) 17.679 31.738 ( -18.771 -1.228 0.000) 18.811 ======================= Grid point 5 (6/108) ======================= q-point: ( 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( 9.300 -21.084 0.000) 23.044 3.996 ( 16.576 -3.038 0.000) 16.852 4.083 ( 6.608 -16.896 0.000) 18.143 4.155 ( 8.760 7.991 0.000) 11.858 4.466 ( -7.769 3.459 0.000) 8.504 4.564 ( 0.700 5.785 0.000) 5.827 4.762 ( -5.500 -2.573 0.000) 6.072 4.831 ( -4.415 2.084 0.000) 4.882 4.878 ( 2.262 1.925 0.000) 2.970 4.932 ( 0.502 5.814 0.000) 5.836 5.085 ( 0.224 -2.957 0.000) 2.966 5.171 ( -4.425 10.404 0.000) 11.306 5.620 ( -1.173 -7.015 0.000) 7.112 5.720 ( -2.731 8.602 0.000) 9.025 6.224 ( 4.132 2.622 0.000) 4.893 6.234 ( -1.846 -6.133 0.000) 6.404 6.413 ( 4.703 -6.442 0.000) 7.976 6.488 ( 1.523 8.365 0.000) 8.502 6.750 ( 7.470 -5.776 0.000) 9.443 6.884 ( -4.039 -5.602 0.000) 6.906 6.956 ( 1.117 -5.243 0.000) 5.361 7.002 ( 0.780 2.706 0.000) 2.816 7.295 ( 5.358 11.587 0.000) 12.766 7.377 ( -8.283 -0.611 0.000) 8.306 7.984 ( 0.098 -8.230 0.000) 8.230 8.004 ( 0.898 -2.137 0.000) 2.318 8.274 ( 14.722 6.427 0.000) 16.063 8.377 ( -0.841 -8.696 0.000) 8.737 8.690 ( -6.003 -3.593 0.000) 6.996 8.750 ( -1.667 11.211 0.000) 11.335 8.873 ( 4.855 8.694 0.000) 9.958 8.878 ( -2.568 -5.691 0.000) 6.244 10.186 ( 6.106 -5.149 0.000) 7.987 10.296 ( 1.287 3.757 0.000) 3.971 10.735 ( 17.409 -5.787 0.000) 18.346 10.833 ( 1.718 1.964 0.000) 2.610 11.014 ( 27.197 3.112 0.000) 27.374 11.127 ( 18.978 3.292 0.000) 19.262 11.303 ( -4.875 -0.548 0.000) 4.906 11.353 ( 12.148 1.883 0.000) 12.293 11.552 ( -24.091 1.870 0.000) 24.163 11.695 ( -26.385 -2.389 0.000) 26.493 12.024 ( 14.214 -6.071 0.000) 15.456 12.129 ( 8.146 4.815 0.000) 9.463 13.009 ( 13.765 5.492 0.000) 14.821 13.124 ( 1.965 6.853 0.000) 7.129 13.205 ( -16.931 -4.523 0.000) 17.525 13.373 ( -27.391 -2.973 0.000) 27.552 15.165 ( 11.000 -1.762 0.000) 11.140 15.459 ( -20.214 2.430 0.000) 20.360 16.332 ( 11.455 -3.052 0.000) 11.854 16.563 ( -10.720 3.831 0.000) 11.384 16.759 ( 17.753 6.978 0.000) 19.075 16.965 ( -12.358 -6.459 0.000) 13.944 17.128 ( 16.349 6.931 0.000) 17.757 17.311 ( -11.395 -7.241 0.000) 13.501 18.772 ( 22.545 8.866 0.000) 24.225 19.119 ( -23.296 -5.675 0.000) 23.977 19.277 ( 17.759 4.310 0.000) 18.274 19.585 ( -20.288 -3.372 0.000) 20.566 26.193 ( 12.834 -1.993 0.000) 12.988 26.375 ( 7.092 13.923 0.000) 15.625 26.392 ( -10.261 -11.019 0.000) 15.057 26.468 ( -13.342 1.912 0.000) 13.478 28.009 ( 3.523 0.487 0.000) 3.557 28.036 ( -0.619 -2.152 0.000) 2.239 28.382 ( 4.120 4.470 0.000) 6.079 28.408 ( -6.821 -12.062 0.000) 13.857 30.815 ( 30.903 3.726 0.000) 31.127 31.172 ( 21.744 8.757 0.000) 23.441 31.295 ( -26.419 -1.736 0.000) 26.476 31.470 ( -18.760 -5.289 0.000) 19.491 ======================= Grid point 12 (7/108) ======================= q-point: ( 0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 38.243 -0.000 0.000) 38.243 1.657 ( 44.754 -0.000 0.000) 44.754 3.031 ( 73.568 -0.000 0.000) 73.568 3.394 ( 13.516 -0.000 0.000) 13.516 3.453 ( 8.881 -0.000 0.000) 8.881 4.140 ( 15.034 -0.000 0.000) 15.034 4.493 ( 15.337 -0.000 0.000) 15.337 4.613 ( 11.304 -0.000 0.000) 11.304 4.712 ( 7.804 -0.000 0.000) 7.804 4.812 ( 3.886 -0.000 0.000) 3.886 4.973 ( 15.788 -0.000 0.000) 15.788 5.597 ( 10.203 -0.000 0.000) 10.203 5.619 ( 13.721 -0.000 0.000) 13.721 5.891 ( -6.747 0.000 0.000) 6.747 5.948 ( -10.482 0.000 0.000) 10.482 6.279 ( -6.213 0.000 0.000) 6.213 6.372 ( -0.319 0.000 0.000) 0.319 6.548 ( -3.766 0.000 0.000) 3.766 6.691 ( -2.513 0.000 0.000) 2.513 6.708 ( 5.108 -0.000 0.000) 5.108 6.789 ( -5.391 0.000 0.000) 5.391 6.913 ( -11.225 0.000 0.000) 11.225 7.433 ( 2.112 -0.000 0.000) 2.112 7.629 ( -0.813 0.000 0.000) 0.813 7.692 ( -1.679 0.000 0.000) 1.679 7.735 ( 6.982 -0.000 0.000) 6.982 7.910 ( 13.483 -0.000 0.000) 13.483 7.916 ( 10.177 -0.000 0.000) 10.177 8.275 ( 19.298 -0.000 0.000) 19.298 8.565 ( 25.631 -0.000 0.000) 25.631 8.698 ( 8.326 -0.000 0.000) 8.326 8.952 ( -9.626 0.000 0.000) 9.626 9.176 ( 14.451 -0.000 0.000) 14.451 9.205 ( -6.849 0.000 0.000) 6.849 9.780 ( 3.234 -0.000 0.000) 3.234 10.540 ( 17.250 -0.000 0.000) 17.250 10.557 ( 8.827 -0.000 0.000) 8.827 10.784 ( 4.939 -0.000 0.000) 4.939 10.840 ( 6.838 -0.000 0.000) 6.838 10.909 ( 26.037 -0.000 0.000) 26.037 11.158 ( 0.915 -0.000 0.000) 0.915 11.168 ( 4.284 -0.000 0.000) 4.284 12.789 ( -14.912 0.000 0.000) 14.912 12.964 ( -24.748 0.000 0.000) 24.748 13.125 ( -4.364 0.000 0.000) 4.364 13.625 ( -8.658 0.000 0.000) 8.658 14.128 ( -11.535 0.000 0.000) 11.535 14.536 ( -3.052 0.000 0.000) 3.052 14.881 ( 6.009 -0.000 0.000) 6.009 15.823 ( 20.618 -0.000 0.000) 20.618 15.842 ( -3.849 0.000 0.000) 3.849 16.254 ( 16.680 -0.000 0.000) 16.680 17.174 ( -7.074 0.000 0.000) 7.074 17.226 ( -3.072 0.000 0.000) 3.072 17.328 ( -39.564 0.000 0.000) 39.564 17.539 ( -2.335 0.000 0.000) 2.335 18.558 ( 5.349 -0.000 0.000) 5.349 18.780 ( 1.445 -0.000 0.000) 1.445 19.895 ( -7.095 0.000 0.000) 7.095 20.174 ( 2.175 -0.000 0.000) 2.175 25.606 ( 6.694 -0.000 0.000) 6.694 26.662 ( -11.332 0.000 0.000) 11.332 26.760 ( 4.538 -0.000 0.000) 4.538 27.327 ( -9.533 0.000 0.000) 9.533 27.754 ( -0.234 0.000 0.000) 0.234 27.780 ( 11.309 -0.000 0.000) 11.309 27.879 ( -0.824 0.000 0.000) 0.824 28.077 ( 4.207 -0.000 0.000) 4.207 29.387 ( 20.000 -0.000 0.000) 20.000 30.471 ( 15.664 -0.000 0.000) 15.664 31.996 ( -4.697 0.000 0.000) 4.697 32.518 ( -19.094 0.000 0.000) 19.094 ======================= Grid point 13 (8/108) ======================= q-point: ( 0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 34.266 -22.573 0.000) 41.033 2.429 ( 39.287 -6.138 0.000) 39.764 3.559 ( 14.111 8.771 0.000) 16.615 3.813 ( 16.716 -17.880 0.000) 24.477 4.139 ( 47.818 -1.859 0.000) 47.854 4.286 ( 6.258 3.309 0.000) 7.079 4.730 ( 10.954 1.031 0.000) 11.003 4.755 ( 8.060 -0.763 0.000) 8.096 4.871 ( 1.964 -0.507 0.000) 2.029 4.955 ( 13.042 3.843 0.000) 13.596 5.025 ( -1.878 -2.374 0.000) 3.027 5.745 ( 9.871 8.903 0.000) 13.293 5.762 ( -10.347 0.273 0.000) 10.350 5.791 ( -5.802 -1.962 0.000) 6.125 5.960 ( 12.890 1.136 0.000) 12.940 6.220 ( 2.584 -5.966 0.000) 6.502 6.304 ( -2.277 9.461 0.000) 9.731 6.498 ( -5.661 -9.876 0.000) 11.383 6.571 ( -2.792 10.341 0.000) 10.712 6.717 ( 0.530 3.983 0.000) 4.018 6.806 ( -7.443 -10.517 0.000) 12.884 6.843 ( 5.656 -4.791 0.000) 7.413 7.452 ( 2.892 3.374 0.000) 4.444 7.593 ( -3.480 -0.583 0.000) 3.529 7.630 ( -6.610 -5.046 0.000) 8.316 7.847 ( 5.782 2.269 0.000) 6.211 8.075 ( 10.517 6.763 0.000) 12.504 8.091 ( 7.128 0.236 0.000) 7.132 8.618 ( 15.780 -2.102 0.000) 15.919 8.874 ( 2.448 3.606 0.000) 4.359 8.911 ( 12.453 0.777 0.000) 12.477 9.064 ( -9.689 -1.179 0.000) 9.761 9.163 ( 41.907 -1.003 0.000) 41.919 9.501 ( 27.807 4.491 0.000) 28.168 9.859 ( 4.979 -1.194 0.000) 5.120 10.662 ( 3.771 -2.332 0.000) 4.433 10.794 ( 5.521 -5.342 0.000) 7.682 10.854 ( 3.525 0.650 0.000) 3.585 11.084 ( 21.257 -1.473 0.000) 21.308 11.191 ( 3.636 1.160 0.000) 3.817 11.246 ( 4.261 -0.219 0.000) 4.267 11.411 ( 29.789 2.439 0.000) 29.889 12.487 ( -19.192 1.233 0.000) 19.231 12.521 ( -25.051 -0.486 0.000) 25.056 13.047 ( -3.082 1.869 0.000) 3.605 13.477 ( -6.246 3.365 0.000) 7.095 13.877 ( -16.892 0.554 0.000) 16.901 14.323 ( -20.513 0.246 0.000) 20.514 14.961 ( 3.266 0.039 0.000) 3.266 15.852 ( 5.297 0.291 0.000) 5.305 16.199 ( 22.378 1.713 0.000) 22.443 16.582 ( 17.498 1.403 0.000) 17.554 16.639 ( -34.715 -0.590 0.000) 34.720 17.009 ( -7.180 4.657 0.000) 8.558 17.156 ( -6.313 -1.043 0.000) 6.399 17.452 ( -5.280 1.730 0.000) 5.556 18.617 ( 10.374 13.021 0.000) 16.648 18.894 ( 5.724 -6.773 0.000) 8.868 19.717 ( -13.558 -0.368 0.000) 13.563 20.112 ( -9.176 -0.186 0.000) 9.178 25.748 ( 9.003 -0.740 0.000) 9.033 26.478 ( -11.318 -3.517 0.000) 11.852 26.777 ( 2.992 10.723 0.000) 11.133 27.097 ( -14.243 2.694 0.000) 14.496 27.785 ( 0.572 -6.366 0.000) 6.391 27.848 ( 4.593 4.291 0.000) 6.286 28.001 ( 2.210 -12.736 0.000) 12.926 28.183 ( 6.117 -2.399 0.000) 6.571 29.824 ( 30.461 2.848 0.000) 30.594 30.763 ( 17.596 2.640 0.000) 17.793 31.880 ( -9.007 -0.426 0.000) 9.017 32.145 ( -22.259 0.865 0.000) 22.275 ======================= Grid point 14 (9/108) ======================= q-point: ( 0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 28.081 -29.400 0.000) 40.655 3.124 ( 30.493 -11.016 0.000) 32.422 3.753 ( 15.010 5.730 0.000) 16.067 4.266 ( 17.086 -13.814 0.000) 21.972 4.342 ( 6.005 6.648 0.000) 8.959 4.614 ( 6.425 -1.856 0.000) 6.688 4.822 ( -1.350 1.703 0.000) 2.174 4.823 ( -3.395 3.744 0.000) 5.054 4.903 ( 3.769 -0.809 0.000) 3.855 4.974 ( 7.152 2.848 0.000) 7.699 5.267 ( 17.106 11.223 0.000) 20.459 5.574 ( -8.536 4.036 0.000) 9.442 5.702 ( -6.057 0.824 0.000) 6.113 5.822 ( 4.667 1.549 0.000) 4.918 6.010 ( 5.103 -1.002 0.000) 5.200 6.191 ( -1.808 4.547 0.000) 4.893 6.333 ( 2.836 5.378 0.000) 6.080 6.519 ( -2.898 -11.144 0.000) 11.514 6.562 ( 4.296 -2.288 0.000) 4.867 6.702 ( 1.084 3.247 0.000) 3.423 6.793 ( -3.352 -8.584 0.000) 9.216 6.977 ( 5.136 -1.917 0.000) 5.483 7.506 ( 5.872 1.701 0.000) 6.113 7.528 ( -7.676 -0.832 0.000) 7.721 7.591 ( -2.556 -13.196 0.000) 13.441 7.870 ( 0.688 4.492 0.000) 4.544 8.194 ( 4.763 -2.083 0.000) 5.198 8.195 ( 10.313 5.481 0.000) 11.679 8.825 ( 7.013 0.571 0.000) 7.037 8.855 ( -10.236 1.165 0.000) 10.302 8.967 ( 6.446 3.978 0.000) 7.574 9.018 ( 3.101 5.939 0.000) 6.699 9.960 ( 42.113 -1.995 0.000) 42.161 9.970 ( 5.664 -2.395 0.000) 6.149 10.063 ( 34.429 1.016 0.000) 34.444 10.745 ( 2.522 -3.736 0.000) 4.508 10.875 ( 5.651 2.657 0.000) 6.244 10.934 ( 6.212 -1.697 0.000) 6.440 11.266 ( 6.542 2.256 0.000) 6.920 11.311 ( 2.661 0.135 0.000) 2.664 11.519 ( 22.494 -5.263 0.000) 23.101 11.854 ( 19.623 5.259 0.000) 20.315 12.079 ( -22.018 -0.966 0.000) 22.039 12.130 ( -20.787 0.327 0.000) 20.789 13.007 ( 2.081 3.456 0.000) 4.034 13.346 ( -4.239 5.535 0.000) 6.971 13.526 ( -22.444 -0.107 0.000) 22.444 13.860 ( -30.583 -0.472 0.000) 30.586 15.017 ( 3.924 -0.271 0.000) 3.934 15.919 ( -10.545 4.520 0.000) 11.473 16.110 ( -9.547 -4.860 0.000) 10.713 16.562 ( 21.256 3.609 0.000) 21.560 16.831 ( -10.002 2.371 0.000) 10.279 16.935 ( 20.406 2.738 0.000) 20.589 17.030 ( -9.478 -2.190 0.000) 9.728 17.334 ( -8.932 -2.960 0.000) 9.409 18.734 ( 16.580 13.438 0.000) 21.342 19.083 ( 11.938 -1.169 0.000) 11.995 19.425 ( -20.258 -1.267 0.000) 20.298 19.872 ( -18.024 -1.065 0.000) 18.055 25.933 ( 10.905 -1.392 0.000) 10.993 26.326 ( -10.956 -6.377 0.000) 12.677 26.703 ( 2.481 14.697 0.000) 14.905 26.806 ( -15.556 2.787 0.000) 15.803 27.868 ( 0.476 -9.024 0.000) 9.037 27.912 ( 4.132 -0.389 0.000) 4.150 28.129 ( 0.324 -11.803 0.000) 11.808 28.324 ( 8.775 0.402 0.000) 8.784 30.359 ( 32.257 3.178 0.000) 32.413 31.042 ( 18.775 6.415 0.000) 19.841 31.677 ( -15.320 -1.309 0.000) 15.375 31.731 ( -24.174 0.027 0.000) 24.174 ======================= Grid point 15 (10/108) ======================= q-point: ( 0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.571 ( 18.914 -30.223 0.000) 35.653 3.655 ( 15.047 -14.561 0.000) 20.939 3.992 ( 17.939 3.305 0.000) 18.241 4.382 ( 6.997 10.471 0.000) 12.593 4.550 ( -6.270 5.478 0.000) 8.326 4.600 ( 10.966 -1.464 0.000) 11.064 4.691 ( -11.624 -3.485 0.000) 12.135 4.827 ( 2.600 -1.718 0.000) 3.116 4.984 ( 0.091 7.002 0.000) 7.002 5.008 ( 6.842 1.325 0.000) 6.970 5.208 ( -5.608 15.802 0.000) 16.768 5.396 ( -3.772 11.723 0.000) 12.315 5.572 ( -5.107 1.987 0.000) 5.480 5.868 ( 2.541 6.925 0.000) 7.376 6.167 ( -0.448 -1.663 0.000) 1.722 6.193 ( 5.455 -6.301 0.000) 8.334 6.381 ( 7.085 1.967 0.000) 7.353 6.574 ( -0.806 -6.165 0.000) 6.217 6.623 ( 2.320 -4.932 0.000) 5.451 6.699 ( -1.208 -3.563 0.000) 3.762 6.849 ( 1.471 -6.530 0.000) 6.694 7.041 ( 2.127 1.736 0.000) 2.746 7.378 ( -9.776 -0.783 0.000) 9.808 7.564 ( 5.553 13.137 0.000) 14.262 7.736 ( 1.734 -17.627 0.000) 17.712 7.867 ( -0.369 -8.123 0.000) 8.132 8.287 ( 1.715 -2.388 0.000) 2.940 8.359 ( 12.662 3.270 0.000) 13.077 8.629 ( -13.517 -3.140 0.000) 13.877 8.866 ( -0.163 2.801 0.000) 2.806 8.940 ( -3.341 9.353 0.000) 9.932 9.053 ( 8.238 9.536 0.000) 12.602 10.096 ( 5.272 -4.242 0.000) 6.766 10.342 ( 3.610 1.678 0.000) 3.981 10.613 ( 15.670 -7.233 0.000) 17.259 10.813 ( 1.218 -3.879 0.000) 4.066 11.075 ( 22.396 3.324 0.000) 22.641 11.173 ( 19.488 2.019 0.000) 19.592 11.307 ( -4.707 0.853 0.000) 4.784 11.397 ( 13.206 2.838 0.000) 13.507 11.584 ( -26.210 1.694 0.000) 26.265 11.660 ( -28.032 -1.526 0.000) 28.074 11.911 ( 14.252 -6.284 0.000) 15.576 12.214 ( 10.798 4.473 0.000) 11.688 13.096 ( 12.701 3.969 0.000) 13.307 13.139 ( -20.171 -2.921 0.000) 20.382 13.246 ( 0.411 6.419 0.000) 6.432 13.323 ( -29.765 -2.444 0.000) 29.866 15.142 ( 10.739 -0.829 0.000) 10.771 15.510 ( -20.452 3.142 0.000) 20.692 16.265 ( 10.499 -4.201 0.000) 11.308 16.612 ( -12.508 1.861 0.000) 12.645 16.860 ( -13.799 -5.126 0.000) 14.720 16.869 ( 17.629 5.139 0.000) 18.362 17.187 ( -12.503 -6.245 0.000) 13.976 17.236 ( 17.164 4.977 0.000) 17.872 18.956 ( 20.501 11.115 0.000) 23.320 19.043 ( -24.564 -2.911 0.000) 24.736 19.338 ( 17.367 2.069 0.000) 17.490 19.531 ( -21.539 -2.579 0.000) 21.693 26.155 ( 12.603 -1.994 0.000) 12.760 26.208 ( -10.018 -8.686 0.000) 13.259 26.513 ( -14.830 2.377 0.000) 15.019 26.633 ( 4.608 14.101 0.000) 14.834 27.942 ( -0.615 -7.298 0.000) 7.324 27.979 ( 0.893 -3.859 0.000) 3.960 28.236 ( 2.885 -6.516 0.000) 7.126 28.481 ( 11.882 5.627 0.000) 13.147 30.875 ( 29.153 2.872 0.000) 29.294 31.268 ( -28.251 -1.184 0.000) 28.276 31.311 ( 18.298 6.547 0.000) 19.434 31.384 ( -21.608 -4.157 0.000) 22.004 ======================= Grid point 16 (11/108) ======================= q-point: (-0.55 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.890 ( 0.430 -12.268 0.000) 12.276 3.965 ( -1.173 -12.426 0.000) 12.482 4.306 ( 10.276 2.720 0.000) 10.630 4.361 ( -5.326 18.620 0.000) 19.367 4.427 ( -9.381 -2.345 0.000) 9.670 4.437 ( 5.510 -0.526 0.000) 5.535 4.775 ( -5.946 3.589 0.000) 6.945 4.788 ( 6.635 -0.601 0.000) 6.662 4.945 ( 3.219 4.774 0.000) 5.758 5.006 ( -1.295 12.531 0.000) 12.598 5.064 ( 0.876 -1.977 0.000) 2.163 5.252 ( 0.613 13.964 0.000) 13.977 5.583 ( 4.599 -6.190 0.000) 7.711 5.791 ( -0.521 11.414 0.000) 11.426 6.176 ( -0.975 -2.265 0.000) 2.466 6.274 ( -1.253 -8.697 0.000) 8.787 6.420 ( 1.783 7.040 0.000) 7.263 6.550 ( -2.555 7.681 0.000) 8.095 6.704 ( -7.329 -11.461 0.000) 13.604 6.803 ( 7.016 -10.063 0.000) 12.267 6.934 ( 1.354 -4.896 0.000) 5.079 7.025 ( -1.163 3.252 0.000) 3.454 7.218 ( -8.259 -0.720 0.000) 8.290 7.501 ( 4.112 14.266 0.000) 14.847 7.904 ( 0.755 -13.018 0.000) 13.040 7.971 ( 0.003 -10.961 0.000) 10.961 8.185 ( -13.208 -0.595 0.000) 13.221 8.527 ( 6.483 6.160 0.000) 8.943 8.567 ( -0.676 -9.217 0.000) 9.242 8.764 ( -6.229 5.010 0.000) 7.994 8.822 ( 0.227 3.407 0.000) 3.415 9.060 ( 3.716 12.826 0.000) 13.354 10.209 ( 0.593 -5.609 0.000) 5.641 10.264 ( -6.433 3.530 0.000) 7.338 10.755 ( -0.930 -6.018 0.000) 6.090 10.795 ( -15.259 0.352 0.000) 15.263 10.977 ( -33.541 -0.838 0.000) 33.552 11.054 ( -22.409 -4.653 0.000) 22.887 11.323 ( 4.550 1.517 0.000) 4.796 11.335 ( -11.022 -0.144 0.000) 11.023 11.521 ( 19.756 -1.507 0.000) 19.814 11.742 ( 24.619 2.810 0.000) 24.779 12.050 ( -3.649 -3.962 0.000) 5.386 12.117 ( -16.764 4.179 0.000) 17.277 12.915 ( -14.689 -4.676 0.000) 15.415 13.016 ( -2.135 -5.149 0.000) 5.574 13.293 ( 13.471 5.111 0.000) 14.408 13.422 ( 24.988 2.432 0.000) 25.106 15.203 ( -11.575 2.498 0.000) 11.841 15.427 ( 20.639 -1.142 0.000) 20.671 16.369 ( -13.185 1.180 0.000) 13.238 16.479 ( 8.310 -5.339 0.000) 9.877 16.632 ( -18.102 -6.935 0.000) 19.385 17.003 ( -15.036 -6.762 0.000) 16.486 17.078 ( 11.403 5.912 0.000) 12.844 17.428 ( 9.314 5.685 0.000) 10.911 18.655 ( -21.521 -4.299 0.000) 21.946 19.200 ( -18.439 -4.110 0.000) 18.892 19.239 ( 20.509 7.490 0.000) 21.834 19.642 ( 19.013 2.742 0.000) 19.210 26.128 ( -8.923 -10.293 0.000) 13.622 26.251 ( -12.699 1.155 0.000) 12.751 26.408 ( 13.760 -2.607 0.000) 14.004 26.624 ( 7.769 12.468 0.000) 14.690 27.972 ( -1.371 -3.359 0.000) 3.628 28.004 ( -2.457 -4.828 0.000) 5.417 28.347 ( 6.388 0.177 0.000) 6.390 28.628 ( 13.039 11.847 0.000) 17.617 30.750 ( -32.853 -3.363 0.000) 33.025 31.015 ( -25.972 -8.488 0.000) 27.323 31.327 ( 24.531 1.716 0.000) 24.591 31.562 ( 15.778 4.794 0.000) 16.490 ======================= Grid point 17 (12/108) ======================= q-point: (-0.45 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.747 ( -21.641 18.848 0.000) 28.698 3.938 ( -12.920 0.462 0.000) 12.929 3.956 ( -12.211 14.739 0.000) 19.140 3.982 ( -11.890 2.272 0.000) 12.105 4.544 ( 2.811 2.902 0.000) 4.040 4.669 ( 13.948 -0.787 0.000) 13.971 4.764 ( -11.126 3.128 0.000) 11.557 4.780 ( -0.748 -6.206 0.000) 6.251 4.914 ( 3.569 5.376 0.000) 6.452 4.924 ( -0.473 2.319 0.000) 2.367 5.152 ( 1.786 12.564 0.000) 12.691 5.245 ( 12.266 -8.133 0.000) 14.717 5.718 ( 2.915 5.884 0.000) 6.566 5.749 ( 6.147 -4.047 0.000) 7.360 6.131 ( -9.412 4.091 0.000) 10.263 6.310 ( -11.374 6.110 0.000) 12.912 6.340 ( 1.408 -2.115 0.000) 2.541 6.354 ( -3.291 0.115 0.000) 3.293 6.658 ( -4.021 -2.415 0.000) 4.691 6.919 ( -5.194 0.363 0.000) 5.207 6.956 ( 1.383 -4.948 0.000) 5.137 6.957 ( -3.396 2.188 0.000) 4.040 7.161 ( -0.449 -4.414 0.000) 4.437 7.510 ( 4.909 2.504 0.000) 5.511 7.924 ( -16.077 -8.893 0.000) 18.373 7.965 ( -3.396 -5.043 0.000) 6.079 8.056 ( 1.690 3.533 0.000) 3.916 8.389 ( -7.906 11.870 0.000) 14.261 8.625 ( -8.481 -3.358 0.000) 9.122 8.638 ( -3.539 -10.007 0.000) 10.614 8.940 ( 11.115 0.243 0.000) 11.118 8.972 ( -0.657 10.830 0.000) 10.850 9.980 ( -35.372 -1.543 0.000) 35.405 10.075 ( -49.506 1.887 0.000) 49.542 10.111 ( -6.440 3.923 0.000) 7.541 10.626 ( -6.844 -9.345 0.000) 11.583 10.761 ( -2.997 -4.152 0.000) 5.120 11.001 ( 0.574 -3.097 0.000) 3.149 11.149 ( -11.308 -2.538 0.000) 11.589 11.332 ( -1.092 1.440 0.000) 1.808 11.617 ( -17.765 -6.507 0.000) 18.919 11.694 ( -25.363 2.037 0.000) 25.445 12.094 ( 14.242 -0.047 0.000) 14.242 12.133 ( 21.820 0.712 0.000) 21.831 12.818 ( -1.940 -5.566 0.000) 5.894 13.103 ( 3.729 -5.528 0.000) 6.668 13.556 ( 17.908 1.746 0.000) 17.993 13.890 ( 27.682 1.035 0.000) 27.701 15.046 ( -5.121 1.438 0.000) 5.319 15.831 ( 17.677 -0.401 0.000) 17.682 16.188 ( -0.640 -0.840 0.000) 1.056 16.351 ( -20.791 -7.309 0.000) 22.039 16.612 ( -2.362 -9.231 0.000) 9.529 16.780 ( -16.083 -4.996 0.000) 16.841 17.169 ( 5.348 4.910 0.000) 7.260 17.446 ( -2.584 2.093 0.000) 3.325 18.425 ( -6.730 -1.428 0.000) 6.880 18.984 ( -9.997 -4.509 0.000) 10.967 19.524 ( 17.298 4.151 0.000) 17.790 19.931 ( 15.496 1.869 0.000) 15.608 25.997 ( -10.868 0.735 0.000) 10.893 26.130 ( -7.111 -13.072 0.000) 14.881 26.674 ( 12.183 5.803 0.000) 13.495 26.681 ( 11.278 1.964 0.000) 11.448 27.954 ( -1.907 0.944 0.000) 2.128 27.982 ( -3.862 -3.008 0.000) 4.895 28.446 ( 7.603 6.132 0.000) 9.768 28.698 ( 8.633 17.534 0.000) 19.544 30.184 ( -35.692 -5.555 0.000) 36.121 30.665 ( -23.239 -13.252 0.000) 26.752 31.710 ( 19.827 0.109 0.000) 19.828 31.776 ( 12.652 2.586 0.000) 12.913 ======================= Grid point 18 (13/108) ======================= q-point: (-0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -34.214 25.212 0.000) 42.499 3.382 ( -23.775 26.313 0.000) 35.463 3.701 ( -5.043 13.930 0.000) 14.814 3.987 ( -4.519 -10.197 0.000) 11.153 4.375 ( -26.656 12.751 0.000) 29.549 4.463 ( -3.485 15.210 0.000) 15.604 4.728 ( -5.700 2.079 0.000) 6.067 4.812 ( -2.721 -0.974 0.000) 2.890 4.900 ( -1.714 0.353 0.000) 1.750 4.901 ( 0.933 6.630 0.000) 6.695 5.148 ( 10.006 8.955 0.000) 13.428 5.580 ( 12.915 -14.244 0.000) 19.228 5.584 ( -28.777 5.562 0.000) 29.310 5.809 ( 8.834 -0.355 0.000) 8.841 5.892 ( -1.374 0.416 0.000) 1.436 6.233 ( -2.243 9.484 0.000) 9.745 6.252 ( 0.147 -1.879 0.000) 1.884 6.439 ( -0.381 -12.283 0.000) 12.289 6.587 ( -4.806 2.692 0.000) 5.509 6.808 ( -4.707 0.531 0.000) 4.737 6.888 ( -3.561 -2.275 0.000) 4.226 6.968 ( -1.345 1.648 0.000) 2.127 7.188 ( -2.411 -3.252 0.000) 4.048 7.594 ( 3.298 -3.282 0.000) 4.653 7.726 ( -13.849 -6.984 0.000) 15.510 7.884 ( -8.293 -2.037 0.000) 8.539 8.029 ( 1.980 9.896 0.000) 10.092 8.129 ( -10.166 9.561 0.000) 13.956 8.537 ( -16.814 -7.085 0.000) 18.245 8.579 ( -2.055 -9.608 0.000) 9.826 8.899 ( -0.969 3.221 0.000) 3.364 9.122 ( 9.560 1.001 0.000) 9.612 9.207 ( -45.173 -1.144 0.000) 45.188 9.308 ( -35.053 -0.862 0.000) 35.063 9.977 ( -4.764 4.105 0.000) 6.289 10.683 ( -0.763 -8.581 0.000) 8.615 10.731 ( -3.290 -1.635 0.000) 3.674 10.936 ( -8.924 -2.103 0.000) 9.169 11.092 ( -0.781 -4.602 0.000) 4.668 11.215 ( -30.540 -6.664 0.000) 31.258 11.239 ( -22.310 2.378 0.000) 22.436 11.278 ( -3.173 1.615 0.000) 3.560 12.415 ( 18.005 -2.293 0.000) 18.150 12.523 ( 23.361 -0.458 0.000) 23.365 12.900 ( 4.924 -4.582 0.000) 6.726 13.228 ( 4.143 -7.645 0.000) 8.696 13.842 ( 14.344 -0.879 0.000) 14.371 14.311 ( 18.986 -0.126 0.000) 18.986 14.966 ( -3.833 0.515 0.000) 3.868 15.820 ( -8.938 -1.568 0.000) 9.074 16.041 ( -20.566 -6.472 0.000) 21.561 16.491 ( -5.674 -2.756 0.000) 6.309 16.494 ( -25.849 -19.571 0.000) 32.422 16.642 ( 25.288 -1.169 0.000) 25.315 17.222 ( 4.296 2.105 0.000) 4.784 17.384 ( -0.828 -0.221 0.000) 0.857 18.409 ( 4.087 3.408 0.000) 5.322 18.928 ( -0.615 -3.028 0.000) 3.090 19.758 ( 12.124 1.951 0.000) 12.279 20.128 ( 7.497 0.588 0.000) 7.520 25.808 ( -8.901 1.968 0.000) 9.116 26.156 ( -5.827 -17.469 0.000) 18.415 26.760 ( 9.929 9.983 0.000) 14.080 26.933 ( 10.964 -4.634 0.000) 11.903 27.891 ( -2.631 3.968 0.000) 4.761 27.927 ( -3.954 -0.310 0.000) 3.967 28.493 ( 6.318 11.510 0.000) 13.130 28.585 ( -3.711 18.160 0.000) 18.535 29.612 ( -35.307 -7.116 0.000) 36.017 30.488 ( -8.917 -12.478 0.000) 15.337 31.919 ( 7.884 1.547 0.000) 8.034 32.072 ( 18.127 -2.650 0.000) 18.320 ======================= Grid point 19 (14/108) ======================= q-point: (-0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -37.339 25.850 0.000) 45.414 2.651 ( -30.585 32.171 0.000) 44.389 3.518 ( -0.912 15.499 0.000) 15.526 3.522 ( -43.991 34.948 0.000) 56.183 3.964 ( -9.712 -7.831 0.000) 12.476 4.164 ( -8.812 24.910 0.000) 26.423 4.586 ( -7.165 4.787 0.000) 8.617 4.632 ( -15.162 1.647 0.000) 15.251 4.828 ( -0.964 9.206 0.000) 9.257 4.839 ( -4.061 1.819 0.000) 4.450 5.057 ( -29.782 -6.164 0.000) 30.413 5.270 ( 8.237 6.114 0.000) 10.259 5.776 ( -10.182 2.824 0.000) 10.566 5.909 ( 10.476 -11.133 0.000) 15.287 5.967 ( 8.392 1.617 0.000) 8.547 6.147 ( -0.319 1.687 0.000) 1.716 6.299 ( 2.648 -4.218 0.000) 4.980 6.480 ( -2.089 2.374 0.000) 3.162 6.541 ( 0.895 -9.254 0.000) 9.297 6.785 ( 0.982 -3.510 0.000) 3.645 6.888 ( -3.731 5.926 0.000) 7.002 6.890 ( -0.743 -5.133 0.000) 5.187 7.127 ( -6.387 -3.005 0.000) 7.058 7.530 ( -14.767 -10.544 0.000) 18.145 7.703 ( 4.876 0.167 0.000) 4.879 7.749 ( -9.404 -3.645 0.000) 10.085 7.877 ( -10.956 4.794 0.000) 11.959 7.975 ( 3.003 10.306 0.000) 10.735 8.271 ( -16.888 -5.690 0.000) 17.821 8.573 ( -27.038 -2.085 0.000) 27.118 8.721 ( -16.774 2.236 0.000) 16.922 8.736 ( 9.392 -10.625 0.000) 14.181 8.984 ( -5.112 -2.504 0.000) 5.692 9.254 ( 6.749 1.470 0.000) 6.907 9.869 ( -3.254 4.403 0.000) 5.474 10.621 ( -15.425 -4.965 0.000) 16.204 10.635 ( -15.884 0.776 0.000) 15.903 10.762 ( -18.983 -6.590 0.000) 20.094 10.765 ( -15.010 -2.688 0.000) 15.249 10.983 ( 1.712 -2.663 0.000) 3.166 11.169 ( 5.350 2.059 0.000) 5.733 11.202 ( -3.490 1.843 0.000) 3.947 12.731 ( 15.009 -2.717 0.000) 15.253 12.959 ( 24.959 -0.714 0.000) 24.970 13.040 ( 6.473 -2.941 0.000) 7.110 13.399 ( 6.813 -9.835 0.000) 11.965 14.069 ( 9.718 -2.773 0.000) 10.106 14.506 ( 1.828 -1.211 0.000) 2.193 14.881 ( -5.659 0.256 0.000) 5.665 15.655 ( -16.018 -5.557 0.000) 16.954 15.830 ( -4.664 -4.134 0.000) 6.233 16.090 ( -46.680 -34.133 0.000) 57.828 16.274 ( -11.676 1.423 0.000) 11.762 17.255 ( 0.572 -1.167 0.000) 1.299 17.291 ( 37.846 -2.144 0.000) 37.907 17.450 ( 7.103 1.443 0.000) 7.248 18.462 ( 5.501 4.944 0.000) 7.396 18.998 ( 6.609 0.070 0.000) 6.610 19.910 ( 6.645 0.865 0.000) 6.701 20.170 ( -2.637 -0.200 0.000) 2.644 25.653 ( -6.496 2.186 0.000) 6.854 26.228 ( -4.985 -19.895 0.000) 20.510 26.843 ( 8.404 7.599 0.000) 11.330 27.121 ( 3.993 -6.032 0.000) 7.234 27.799 ( -3.163 4.608 0.000) 5.589 27.856 ( -3.189 1.664 0.000) 3.597 28.281 ( -12.997 13.290 0.000) 18.589 28.457 ( 3.470 15.994 0.000) 16.366 29.082 ( -32.148 -7.514 0.000) 33.015 30.569 ( 8.987 -4.276 0.000) 9.953 32.013 ( 4.344 0.907 0.000) 4.437 32.410 ( 15.960 -5.218 0.000) 16.791 ======================= Grid point 20 (15/108) ======================= q-point: (-0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -33.140 28.551 0.000) 43.743 1.674 ( -54.701 23.209 0.000) 59.421 2.387 ( -27.306 66.550 0.000) 71.934 3.390 ( 1.613 15.451 0.000) 15.535 3.674 ( -27.282 -1.667 0.000) 27.333 3.775 ( -7.848 26.035 0.000) 27.192 4.383 ( -7.920 9.676 0.000) 12.504 4.395 ( -6.910 -1.161 0.000) 7.007 4.659 ( -15.891 -3.249 0.000) 16.220 4.754 ( -3.230 1.007 0.000) 3.383 4.755 ( -1.934 6.570 0.000) 6.849 5.246 ( -8.213 -0.104 0.000) 8.214 5.638 ( 1.463 5.661 0.000) 5.847 6.038 ( 4.335 2.426 0.000) 4.968 6.138 ( 7.785 -0.978 0.000) 7.846 6.207 ( 1.651 -8.854 0.000) 9.007 6.383 ( 2.582 -0.060 0.000) 2.583 6.525 ( 5.588 -6.016 0.000) 8.211 6.618 ( 1.275 -2.180 0.000) 2.526 6.740 ( -3.938 9.340 0.000) 10.136 6.895 ( 4.773 -5.992 0.000) 7.661 6.900 ( -5.666 -5.944 0.000) 8.212 7.078 ( -5.612 -13.255 0.000) 14.394 7.389 ( -10.083 -8.483 0.000) 13.177 7.613 ( -10.186 -3.671 0.000) 10.827 7.687 ( -5.189 3.488 0.000) 6.252 7.770 ( 3.507 0.909 0.000) 3.623 7.964 ( 4.357 7.013 0.000) 8.256 8.068 ( -11.196 -3.774 0.000) 11.815 8.271 ( -9.030 7.408 0.000) 11.680 8.502 ( -6.887 -9.073 0.000) 11.390 8.944 ( -1.523 1.571 0.000) 2.188 9.070 ( 17.023 -9.603 0.000) 19.545 9.335 ( 4.029 1.430 0.000) 4.275 9.789 ( -1.570 3.815 0.000) 4.126 10.185 ( -28.001 -3.198 0.000) 28.183 10.308 ( -18.385 -2.448 0.000) 18.547 10.634 ( -5.478 -4.840 0.000) 7.310 10.668 ( -2.260 0.437 0.000) 2.302 11.088 ( 2.853 -4.075 0.000) 4.975 11.131 ( -2.469 1.941 0.000) 3.141 11.334 ( 23.550 9.138 0.000) 25.261 12.973 ( 9.344 -2.153 0.000) 9.589 13.161 ( 5.068 -0.989 0.000) 5.164 13.377 ( 20.838 0.502 0.000) 20.844 13.636 ( 10.160 -9.155 0.000) 13.676 14.234 ( 5.658 -3.879 0.000) 6.860 14.431 ( -9.815 -2.678 0.000) 10.174 14.772 ( -5.643 0.674 0.000) 5.683 15.400 ( -76.967 -46.265 0.000) 89.802 15.424 ( -13.119 -5.101 0.000) 14.076 15.870 ( 0.808 -5.157 0.000) 5.220 16.103 ( -3.839 4.509 0.000) 5.922 17.282 ( 0.639 -2.345 0.000) 2.431 17.550 ( 5.359 2.495 0.000) 5.912 17.924 ( 28.998 -2.930 0.000) 29.145 18.503 ( 3.607 4.144 0.000) 5.494 19.144 ( 10.937 2.500 0.000) 11.219 19.982 ( 2.437 0.438 0.000) 2.476 20.057 ( -8.926 -0.077 0.000) 8.926 25.545 ( -3.545 2.093 0.000) 4.116 26.333 ( -3.253 -20.174 0.000) 20.435 26.926 ( 6.787 3.523 0.000) 7.647 27.139 ( -9.083 -6.640 0.000) 11.251 27.691 ( -4.681 6.654 0.000) 8.135 27.794 ( -1.701 2.012 0.000) 2.635 27.989 ( -8.021 4.550 0.000) 9.222 28.339 ( 0.901 18.435 0.000) 18.457 28.622 ( -25.456 -3.938 0.000) 25.759 30.855 ( 22.038 2.354 0.000) 22.163 32.060 ( 1.870 0.580 0.000) 1.958 32.702 ( 10.333 -6.481 0.000) 12.198 ======================= Grid point 21 (16/108) ======================= q-point: (-0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 33.998 0.000) 33.998 0.620 ( 0.000 35.778 0.000) 35.778 1.482 ( 0.000 82.204 0.000) 82.204 3.278 ( 0.000 13.183 0.000) 13.183 3.362 ( 0.000 0.301 0.000) 0.301 3.495 ( 0.000 19.212 0.000) 19.212 4.207 ( 0.000 9.524 0.000) 9.524 4.357 ( 0.000 2.065 0.000) 2.065 4.542 ( -0.000 -6.857 0.000) 6.857 4.693 ( 0.000 5.242 0.000) 5.242 4.722 ( -0.000 -0.155 0.000) 0.155 5.121 ( 0.000 1.727 0.000) 1.727 5.635 ( 0.000 4.343 0.000) 4.343 6.071 ( 0.000 0.744 0.000) 0.744 6.216 ( 0.000 0.031 0.000) 0.031 6.292 ( -0.000 -6.687 0.000) 6.687 6.394 ( 0.000 1.525 0.000) 1.525 6.594 ( 0.000 7.664 0.000) 7.664 6.646 ( 0.000 1.964 0.000) 1.964 6.720 ( -0.000 -7.967 0.000) 7.967 6.750 ( 0.000 1.279 0.000) 1.279 6.994 ( -0.000 -2.696 0.000) 2.696 7.185 ( -0.000 -18.805 0.000) 18.805 7.360 ( -0.000 -6.084 0.000) 6.084 7.517 ( -0.000 -0.829 0.000) 0.829 7.622 ( 0.000 2.505 0.000) 2.505 7.820 ( -0.000 -0.846 0.000) 0.846 7.970 ( 0.000 9.151 0.000) 9.151 7.978 ( -0.000 -3.857 0.000) 3.857 8.105 ( 0.000 3.211 0.000) 3.211 8.578 ( -0.000 -8.409 0.000) 8.409 8.899 ( 0.000 3.900 0.000) 3.900 9.323 ( -0.000 -1.456 0.000) 1.456 9.423 ( -0.000 -5.123 0.000) 5.123 9.750 ( 0.000 2.430 0.000) 2.430 9.865 ( -0.000 -1.214 0.000) 1.214 10.138 ( -0.000 -2.047 0.000) 2.047 10.629 ( -0.000 -4.153 0.000) 4.153 10.638 ( 0.000 1.532 0.000) 1.532 11.091 ( 0.000 1.547 0.000) 1.547 11.134 ( -0.000 -2.277 0.000) 2.277 11.844 ( -0.000 -11.174 0.000) 11.174 13.074 ( -0.000 -1.481 0.000) 1.481 13.228 ( 0.000 0.670 0.000) 0.670 13.582 ( 0.000 1.568 0.000) 1.568 14.035 ( -0.000 -9.464 0.000) 9.464 14.165 ( 0.000 0.431 0.000) 0.431 14.322 ( -0.000 -3.328 0.000) 3.328 14.337 ( -0.000 -3.141 0.000) 3.141 14.706 ( 0.000 0.923 0.000) 0.923 15.340 ( -0.000 -4.066 0.000) 4.066 15.902 ( -0.000 -3.000 0.000) 3.000 16.052 ( 0.000 3.346 0.000) 3.346 17.311 ( -0.000 -2.360 0.000) 2.360 17.576 ( 0.000 2.623 0.000) 2.623 18.236 ( -0.000 -2.676 0.000) 2.676 18.507 ( 0.000 2.718 0.000) 2.718 19.285 ( -0.000 -1.344 0.000) 1.344 19.950 ( 0.000 0.185 0.000) 0.185 20.000 ( 0.000 0.319 0.000) 0.319 25.496 ( 0.000 1.612 0.000) 1.612 26.472 ( -0.000 -17.531 0.000) 17.531 26.989 ( -0.000 -0.037 0.000) 0.037 27.003 ( -0.000 -0.087 0.000) 0.087 27.544 ( 0.000 8.604 0.000) 8.604 27.766 ( 0.000 1.036 0.000) 1.036 27.932 ( -0.000 -2.238 0.000) 2.238 28.182 ( 0.000 17.199 0.000) 17.199 28.332 ( 0.000 5.507 0.000) 5.507 31.189 ( -0.000 -6.354 0.000) 6.354 32.072 ( 0.000 0.383 0.000) 0.383 32.852 ( -0.000 -5.368 0.000) 5.368 ======================= Grid point 24 (17/108) ======================= q-point: ( 0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 31.984 -0.000 0.000) 31.984 3.024 ( 30.659 -0.000 0.000) 30.659 3.877 ( 13.536 -0.000 0.000) 13.536 4.068 ( 23.647 -0.000 0.000) 23.647 4.400 ( 5.703 -0.000 0.000) 5.703 4.595 ( 8.350 -0.000 0.000) 8.350 4.842 ( -5.670 0.000 0.000) 5.670 4.871 ( -7.114 0.000 0.000) 7.114 4.895 ( 7.068 -0.000 0.000) 7.068 4.992 ( 12.566 -0.000 0.000) 12.566 5.379 ( 26.959 -0.000 0.000) 26.959 5.616 ( -5.931 0.000 0.000) 5.931 5.700 ( -3.676 0.000 0.000) 3.676 5.907 ( 7.412 -0.000 0.000) 7.412 5.931 ( -9.594 0.000 0.000) 9.594 6.278 ( -9.096 0.000 0.000) 9.096 6.370 ( 0.194 -0.000 0.000) 0.194 6.437 ( 13.627 -0.000 0.000) 13.627 6.551 ( -8.379 0.000 0.000) 8.379 6.657 ( 3.232 -0.000 0.000) 3.232 6.746 ( 1.095 -0.000 0.000) 1.095 6.948 ( 7.671 -0.000 0.000) 7.671 7.436 ( -10.086 0.000 0.000) 10.086 7.489 ( 1.003 -0.000 0.000) 1.003 7.546 ( -3.792 0.000 0.000) 3.792 7.974 ( 6.068 -0.000 0.000) 6.068 8.151 ( 1.277 -0.000 0.000) 1.277 8.249 ( 7.568 -0.000 0.000) 7.568 8.827 ( 8.829 -0.000 0.000) 8.829 8.857 ( -13.278 0.000 0.000) 13.278 9.009 ( 9.453 -0.000 0.000) 9.453 9.073 ( 4.286 -0.000 0.000) 4.286 9.940 ( 42.884 -0.000 0.000) 42.884 9.951 ( 5.853 -0.000 0.000) 5.853 10.073 ( 30.130 -0.000 0.000) 30.130 10.703 ( 2.054 -0.000 0.000) 2.054 10.884 ( 7.517 -0.000 0.000) 7.517 10.932 ( 8.019 -0.000 0.000) 8.019 11.287 ( 6.454 -0.000 0.000) 6.454 11.313 ( 3.087 -0.000 0.000) 3.087 11.467 ( 22.068 -0.000 0.000) 22.068 11.906 ( 22.715 -0.000 0.000) 22.715 12.067 ( -25.861 0.000 0.000) 25.861 12.133 ( -20.710 0.000 0.000) 20.710 13.039 ( 1.840 -0.000 0.000) 1.840 13.398 ( -4.477 0.000 0.000) 4.477 13.526 ( -23.152 0.000 0.000) 23.152 13.856 ( -31.182 0.000 0.000) 31.182 15.014 ( 3.771 -0.000 0.000) 3.771 16.000 ( 10.450 -0.000 0.000) 10.450 16.026 ( -30.878 0.000 0.000) 30.878 16.595 ( 21.314 -0.000 0.000) 21.314 16.850 ( -11.163 0.000 0.000) 11.163 16.960 ( 20.955 -0.000 0.000) 20.955 17.011 ( -10.392 0.000 0.000) 10.392 17.305 ( -10.701 0.000 0.000) 10.701 18.902 ( 13.583 -0.000 0.000) 13.583 19.037 ( 14.374 -0.000 0.000) 14.374 19.414 ( -20.522 0.000 0.000) 20.522 19.862 ( -18.420 0.000 0.000) 18.420 25.920 ( 10.881 -0.000 0.000) 10.881 26.267 ( -10.786 0.000 0.000) 10.786 26.833 ( -16.315 0.000 0.000) 16.315 26.854 ( 0.627 -0.000 0.000) 0.627 27.766 ( 1.280 -0.000 0.000) 1.280 27.917 ( -0.886 0.000 0.000) 0.886 28.009 ( 7.556 -0.000 0.000) 7.556 28.331 ( 11.107 -0.000 0.000) 11.107 30.388 ( 31.571 -0.000 0.000) 31.571 31.100 ( 18.211 -0.000 0.000) 18.211 31.665 ( -15.470 0.000 0.000) 15.470 31.732 ( -25.185 0.000 0.000) 25.185 ======================= Grid point 25 (18/108) ======================= q-point: ( 0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 23.726 -13.392 0.000) 27.245 3.478 ( 17.578 -5.146 0.000) 18.315 4.088 ( 14.978 5.322 0.000) 15.896 4.496 ( 6.797 2.829 0.000) 7.362 4.524 ( 21.580 -4.732 0.000) 22.093 4.635 ( -1.533 3.018 0.000) 3.385 4.664 ( -13.490 -0.391 0.000) 13.495 4.803 ( 0.965 -0.683 0.000) 1.183 5.006 ( 6.341 -0.625 0.000) 6.372 5.079 ( 0.530 3.045 0.000) 3.090 5.545 ( -0.199 5.180 0.000) 5.184 5.554 ( -4.956 20.752 0.000) 21.336 5.640 ( -2.779 3.089 0.000) 4.156 5.862 ( 0.406 -10.738 0.000) 10.746 6.089 ( 10.575 -2.716 0.000) 10.919 6.129 ( -7.259 -3.238 0.000) 7.948 6.393 ( -1.180 -5.582 0.000) 5.706 6.438 ( 3.334 5.420 0.000) 6.363 6.590 ( 1.499 -3.256 0.000) 3.584 6.757 ( 1.489 3.296 0.000) 3.617 6.769 ( 5.998 -0.196 0.000) 6.001 7.066 ( 4.980 1.001 0.000) 5.080 7.307 ( -8.622 -7.172 0.000) 11.214 7.494 ( -2.511 -5.685 0.000) 6.215 7.535 ( 1.335 -7.249 0.000) 7.371 7.986 ( 2.397 13.664 0.000) 13.873 8.216 ( 2.602 -6.757 0.000) 7.240 8.397 ( 10.539 1.058 0.000) 10.592 8.591 ( -17.046 -0.935 0.000) 17.071 8.913 ( 1.696 1.609 0.000) 2.338 9.061 ( -3.354 3.692 0.000) 4.988 9.168 ( 9.386 3.082 0.000) 9.879 10.054 ( 5.201 -0.674 0.000) 5.244 10.365 ( 4.025 0.996 0.000) 4.146 10.508 ( 15.702 -3.824 0.000) 16.161 10.733 ( -0.307 -3.475 0.000) 3.489 11.119 ( 21.389 1.379 0.000) 21.433 11.199 ( 17.581 0.778 0.000) 17.598 11.323 ( -4.279 0.627 0.000) 4.325 11.442 ( 14.797 1.708 0.000) 14.896 11.607 ( -25.425 0.726 0.000) 25.435 11.642 ( -30.310 -0.540 0.000) 30.315 11.822 ( 15.076 -3.100 0.000) 15.391 12.274 ( 11.988 1.884 0.000) 12.135 13.104 ( -22.254 -0.988 0.000) 22.276 13.144 ( 11.822 1.388 0.000) 11.904 13.292 ( -31.270 -0.953 0.000) 31.285 13.332 ( -0.690 2.692 0.000) 2.779 15.133 ( 10.674 -0.213 0.000) 10.676 15.557 ( -21.338 1.652 0.000) 21.401 16.203 ( 10.697 -2.182 0.000) 10.917 16.633 ( -13.180 0.567 0.000) 13.193 16.794 ( -14.946 -1.988 0.000) 15.077 16.933 ( 17.583 1.888 0.000) 17.684 17.105 ( -12.941 -2.540 0.000) 13.188 17.297 ( 17.486 1.776 0.000) 17.576 19.011 ( -24.842 -0.796 0.000) 24.855 19.127 ( 16.416 6.613 0.000) 17.698 19.344 ( 18.496 -0.944 0.000) 18.520 19.499 ( -22.246 -0.944 0.000) 22.266 26.100 ( -9.866 -3.192 0.000) 10.370 26.129 ( 12.490 -0.780 0.000) 12.515 26.544 ( -15.627 0.948 0.000) 15.655 26.833 ( 1.673 6.891 0.000) 7.091 27.823 ( 2.215 -4.601 0.000) 5.107 27.906 ( -1.449 -2.909 0.000) 3.250 28.173 ( 9.622 -1.338 0.000) 9.715 28.555 ( 15.066 2.295 0.000) 15.240 30.911 ( 28.125 1.074 0.000) 28.146 31.255 ( -29.460 -0.377 0.000) 29.462 31.331 ( -23.307 -1.614 0.000) 23.362 31.393 ( 16.312 2.436 0.000) 16.493 ======================= Grid point 26 (19/108) ======================= q-point: ( 0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( 13.097 -18.400 0.000) 22.585 3.720 ( 4.569 -6.674 0.000) 8.088 4.327 ( 13.298 0.468 0.000) 13.306 4.377 ( -17.268 -2.556 0.000) 17.456 4.527 ( -3.916 8.242 0.000) 9.125 4.589 ( 7.512 5.333 0.000) 9.212 4.844 ( 13.588 6.851 0.000) 15.217 4.895 ( 3.469 2.846 0.000) 4.487 4.984 ( -5.077 3.027 0.000) 5.911 5.151 ( 7.802 1.321 0.000) 7.914 5.199 ( -8.787 17.596 0.000) 19.668 5.493 ( 1.717 9.954 0.000) 10.101 5.556 ( 0.851 5.548 0.000) 5.613 5.909 ( -3.202 -7.599 0.000) 8.247 6.098 ( -3.584 -9.235 0.000) 9.906 6.138 ( -4.356 3.032 0.000) 5.307 6.434 ( -2.256 -10.660 0.000) 10.896 6.556 ( 8.094 4.456 0.000) 9.240 6.655 ( 5.487 -5.323 0.000) 7.644 6.715 ( -1.843 7.906 0.000) 8.118 6.859 ( 3.926 -1.605 0.000) 4.242 7.085 ( -0.278 3.279 0.000) 3.291 7.198 ( -7.726 -1.254 0.000) 7.828 7.604 ( 0.745 -18.178 0.000) 18.193 7.644 ( -1.176 -12.254 0.000) 12.310 7.873 ( 0.646 15.192 0.000) 15.206 8.209 ( -11.735 1.570 0.000) 11.840 8.408 ( -2.307 -9.301 0.000) 9.583 8.588 ( 10.625 1.485 0.000) 10.728 8.860 ( -4.743 4.696 0.000) 6.674 8.921 ( -5.504 5.641 0.000) 7.882 9.258 ( 5.750 7.952 0.000) 9.814 10.130 ( 0.949 -2.315 0.000) 2.502 10.312 ( -5.976 1.957 0.000) 6.288 10.649 ( -0.146 -5.208 0.000) 5.210 10.741 ( -7.148 -5.603 0.000) 9.082 10.966 ( -32.138 -1.185 0.000) 32.160 11.000 ( -38.542 -0.554 0.000) 38.546 11.340 ( -10.073 0.457 0.000) 10.083 11.349 ( 3.975 1.214 0.000) 4.156 11.501 ( 15.965 -0.755 0.000) 15.982 11.790 ( 22.522 2.378 0.000) 22.647 11.990 ( 1.274 -2.764 0.000) 3.043 12.170 ( -20.993 1.893 0.000) 21.079 12.854 ( -16.194 -2.151 0.000) 16.336 12.945 ( 0.475 -2.774 0.000) 2.814 13.375 ( 10.620 3.733 0.000) 11.257 13.454 ( 23.422 1.148 0.000) 23.450 15.246 ( -12.340 2.024 0.000) 12.505 15.415 ( 21.221 -0.295 0.000) 21.223 16.380 ( -14.944 0.198 0.000) 14.945 16.391 ( 6.647 -4.082 0.000) 7.800 16.528 ( -18.445 -4.404 0.000) 18.963 16.901 ( -13.700 -4.308 0.000) 14.361 17.163 ( 10.904 3.486 0.000) 11.448 17.505 ( 7.045 2.903 0.000) 7.619 18.610 ( -19.220 -1.123 0.000) 19.253 19.141 ( -18.853 -2.343 0.000) 18.998 19.365 ( 16.809 6.015 0.000) 17.853 19.675 ( 18.593 0.968 0.000) 18.618 25.977 ( -8.795 -6.062 0.000) 10.682 26.276 ( -13.693 1.095 0.000) 13.736 26.369 ( 13.474 -1.605 0.000) 13.569 26.821 ( 5.285 8.832 0.000) 10.293 27.904 ( 2.439 -3.688 0.000) 4.421 27.913 ( -1.580 -4.328 0.000) 4.607 28.360 ( 11.049 0.730 0.000) 11.073 28.803 ( 17.322 7.303 0.000) 18.798 30.702 ( -34.393 -1.956 0.000) 34.448 30.888 ( -29.927 -5.411 0.000) 30.412 31.352 ( 23.148 1.062 0.000) 23.172 31.632 ( 13.553 2.840 0.000) 13.847 ======================= Grid point 27 (20/108) ======================= q-point: (-0.55 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.797 ( -1.386 -6.660 0.000) 6.803 3.898 ( 3.142 -5.227 0.000) 6.099 4.043 ( -20.392 -0.806 0.000) 20.408 4.251 ( -20.438 17.717 0.000) 27.049 4.570 ( 7.119 -7.006 0.000) 9.988 4.609 ( 1.452 7.561 0.000) 7.700 4.709 ( 0.948 0.648 0.000) 1.148 4.917 ( 4.503 12.822 0.000) 13.589 5.015 ( -2.900 7.703 0.000) 8.231 5.124 ( 0.835 13.282 0.000) 13.308 5.161 ( 12.838 -2.982 0.000) 13.180 5.425 ( 3.729 15.975 0.000) 16.405 5.679 ( 10.540 -3.343 0.000) 11.058 5.866 ( -1.630 8.324 0.000) 8.482 6.069 ( -6.503 -15.360 0.000) 16.680 6.121 ( -2.717 -6.090 0.000) 6.669 6.437 ( -13.804 -2.046 0.000) 13.955 6.557 ( -2.287 2.385 0.000) 3.304 6.557 ( 1.534 10.052 0.000) 10.169 6.835 ( 5.071 -7.203 0.000) 8.809 6.900 ( -1.927 -0.033 0.000) 1.927 7.015 ( -3.996 4.071 0.000) 5.705 7.118 ( -1.015 -1.917 0.000) 2.169 7.595 ( -9.741 -1.515 0.000) 9.858 7.759 ( -2.299 -16.741 0.000) 16.898 7.791 ( -2.815 2.100 0.000) 3.512 8.046 ( -3.380 -2.655 0.000) 4.298 8.486 ( -0.386 -7.494 0.000) 7.504 8.576 ( -6.802 7.931 0.000) 10.448 8.671 ( -9.815 6.859 0.000) 11.974 8.942 ( 10.092 0.097 0.000) 10.092 9.210 ( -0.473 13.695 0.000) 13.704 9.946 ( -33.699 -2.124 0.000) 33.766 10.106 ( -49.788 1.562 0.000) 49.813 10.171 ( -6.755 2.870 0.000) 7.339 10.478 ( -11.759 -6.326 0.000) 13.353 10.664 ( -2.989 -6.039 0.000) 6.738 10.866 ( -1.519 -11.200 0.000) 11.303 11.125 ( -14.206 -0.728 0.000) 14.225 11.360 ( -0.809 1.505 0.000) 1.708 11.519 ( -17.580 -4.298 0.000) 18.098 11.699 ( -28.884 -0.963 0.000) 28.900 12.093 ( 13.099 -0.001 0.000) 13.099 12.147 ( 20.054 0.716 0.000) 20.066 12.739 ( -0.389 -3.180 0.000) 3.204 13.034 ( 4.104 -2.371 0.000) 4.739 13.591 ( 15.316 2.025 0.000) 15.449 13.906 ( 26.703 0.780 0.000) 26.715 15.074 ( -6.036 1.596 0.000) 6.243 15.838 ( 20.742 1.099 0.000) 20.771 16.153 ( -6.098 -3.017 0.000) 6.804 16.229 ( -20.325 -5.743 0.000) 21.121 16.454 ( -7.833 -7.833 0.000) 11.078 16.700 ( -13.272 -3.810 0.000) 13.808 17.249 ( 3.225 3.849 0.000) 5.021 17.471 ( -6.667 0.842 0.000) 6.720 18.439 ( 0.296 2.141 0.000) 2.162 18.913 ( -9.348 -3.243 0.000) 9.895 19.600 ( 14.649 4.060 0.000) 15.201 19.960 ( 14.309 1.236 0.000) 14.362 25.897 ( -7.813 -8.623 0.000) 11.636 26.048 ( -11.193 0.661 0.000) 11.212 26.623 ( 13.038 -2.513 0.000) 13.278 26.862 ( 8.079 9.005 0.000) 12.098 27.921 ( -1.615 -3.313 0.000) 3.686 27.961 ( 1.856 -0.045 0.000) 1.857 28.538 ( 11.200 3.956 0.000) 11.878 28.992 ( 13.332 14.996 0.000) 20.066 30.095 ( -37.129 -4.163 0.000) 37.361 30.431 ( -28.355 -12.518 0.000) 30.996 31.712 ( 18.593 0.085 0.000) 18.593 31.819 ( 10.357 2.108 0.000) 10.569 ======================= Grid point 28 (21/108) ======================= q-point: (-0.45 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( -30.243 28.423 0.000) 41.503 3.634 ( -24.175 5.264 0.000) 24.742 3.826 ( -3.291 -7.473 0.000) 8.165 3.943 ( -0.010 10.777 0.000) 10.777 4.574 ( -12.064 3.637 0.000) 12.601 4.660 ( 3.755 1.279 0.000) 3.967 4.732 ( 0.552 2.468 0.000) 2.529 4.827 ( -0.190 7.840 0.000) 7.842 4.917 ( -2.794 2.751 0.000) 3.921 5.067 ( 1.990 9.825 0.000) 10.024 5.385 ( 9.491 16.187 0.000) 18.765 5.397 ( 10.232 -3.779 0.000) 10.908 5.747 ( -16.238 9.408 0.000) 18.766 5.820 ( 4.552 2.401 0.000) 5.146 5.954 ( -7.099 7.176 0.000) 10.094 6.143 ( -3.463 -18.323 0.000) 18.647 6.209 ( -3.371 -3.127 0.000) 4.598 6.451 ( -2.338 11.504 0.000) 11.739 6.575 ( -1.724 -4.183 0.000) 4.525 6.813 ( -5.104 1.601 0.000) 5.349 6.873 ( -7.718 2.193 0.000) 8.024 6.935 ( 0.621 -4.284 0.000) 4.329 7.170 ( 2.986 -1.124 0.000) 3.191 7.463 ( -10.407 -9.421 0.000) 14.038 7.718 ( -0.576 4.803 0.000) 4.838 7.781 ( -8.987 -9.737 0.000) 13.251 8.069 ( -0.517 -5.328 0.000) 5.353 8.346 ( -10.118 12.870 0.000) 16.371 8.445 ( -12.273 -2.529 0.000) 12.531 8.466 ( -5.821 -2.053 0.000) 6.172 9.027 ( -6.587 10.525 0.000) 12.416 9.129 ( 9.752 -0.104 0.000) 9.753 9.184 ( -44.168 -0.232 0.000) 44.169 9.316 ( -34.729 0.485 0.000) 34.733 10.041 ( -4.865 3.089 0.000) 5.762 10.508 ( 0.171 -10.486 0.000) 10.488 10.662 ( -3.067 -5.689 0.000) 6.463 10.877 ( -14.273 -3.985 0.000) 14.818 10.960 ( -1.504 -10.712 0.000) 10.817 11.109 ( -30.465 -5.059 0.000) 30.882 11.222 ( -26.175 -3.566 0.000) 26.417 11.311 ( -2.793 1.944 0.000) 3.402 12.378 ( 16.613 -1.859 0.000) 16.717 12.513 ( 22.168 -0.651 0.000) 22.178 12.839 ( 7.641 -2.137 0.000) 7.935 13.119 ( 2.742 -4.409 0.000) 5.192 13.832 ( 12.268 -0.238 0.000) 12.270 14.313 ( 18.300 0.279 0.000) 18.302 14.979 ( -4.286 0.872 0.000) 4.374 15.788 ( -12.751 -1.895 0.000) 12.891 15.921 ( -19.923 -6.732 0.000) 21.030 16.188 ( -32.901 -14.162 0.000) 35.820 16.455 ( -0.657 -1.117 0.000) 1.296 16.607 ( 23.900 -2.669 0.000) 24.049 17.254 ( 0.311 1.422 0.000) 1.456 17.390 ( 0.623 0.597 0.000) 0.863 18.500 ( 8.139 5.908 0.000) 10.057 18.870 ( 0.813 -3.145 0.000) 3.249 19.796 ( 10.647 2.238 0.000) 10.880 20.138 ( 6.363 0.473 0.000) 6.380 25.824 ( -8.137 -2.400 0.000) 8.483 25.902 ( -7.353 -8.644 0.000) 11.349 26.858 ( 10.176 -3.202 0.000) 10.668 26.930 ( 8.016 8.179 0.000) 11.452 27.911 ( -1.706 -1.072 0.000) 2.015 27.960 ( -0.430 3.593 0.000) 3.619 28.670 ( 9.524 8.117 0.000) 12.514 28.914 ( -5.985 18.894 0.000) 19.819 29.495 ( -35.516 -5.840 0.000) 35.993 30.235 ( -6.425 -15.875 0.000) 17.126 31.946 ( 7.247 1.467 0.000) 7.394 32.028 ( 15.311 -2.212 0.000) 15.470 ======================= Grid point 29 (22/108) ======================= q-point: (-0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -32.246 31.575 0.000) 45.131 3.020 ( -37.786 13.621 0.000) 40.166 3.818 ( -6.879 -7.128 0.000) 9.906 3.839 ( 3.484 19.014 0.000) 19.331 4.167 ( -16.072 27.025 0.000) 31.444 4.579 ( -2.522 20.513 0.000) 20.667 4.675 ( -2.918 4.008 0.000) 4.958 4.707 ( -8.856 6.551 0.000) 11.016 4.864 ( -2.672 0.676 0.000) 2.756 4.912 ( -23.490 -4.869 0.000) 23.989 5.126 ( -12.103 23.848 0.000) 26.743 5.468 ( 6.708 13.836 0.000) 15.376 5.639 ( 8.918 -14.629 0.000) 17.133 5.844 ( -5.925 5.042 0.000) 7.780 5.962 ( 9.253 -1.999 0.000) 9.466 6.204 ( -1.795 -6.214 0.000) 6.468 6.230 ( -2.480 -5.797 0.000) 6.306 6.321 ( -3.344 -2.901 0.000) 4.427 6.524 ( -3.726 1.633 0.000) 4.068 6.731 ( -2.560 0.347 0.000) 2.584 6.804 ( -0.510 -3.952 0.000) 3.985 6.941 ( -2.519 -1.007 0.000) 2.713 7.181 ( -0.582 5.231 0.000) 5.263 7.355 ( -11.592 -9.150 0.000) 14.768 7.655 ( -11.030 -5.682 0.000) 12.408 7.717 ( 3.705 2.087 0.000) 4.252 8.032 ( -11.681 11.218 0.000) 16.195 8.093 ( -2.639 -5.340 0.000) 5.956 8.162 ( -13.373 1.762 0.000) 13.489 8.502 ( -30.032 -4.117 0.000) 30.313 8.541 ( 6.993 -10.398 0.000) 12.531 8.825 ( -16.799 8.573 0.000) 18.860 8.971 ( -1.613 0.324 0.000) 1.645 9.271 ( 6.596 0.489 0.000) 6.614 9.943 ( -3.026 3.690 0.000) 4.772 10.520 ( -12.081 -6.326 0.000) 13.637 10.596 ( -31.492 -4.954 0.000) 31.879 10.660 ( -2.759 -4.681 0.000) 5.434 10.685 ( -15.072 -5.936 0.000) 16.199 10.855 ( -8.183 -10.270 0.000) 13.132 11.111 ( 2.284 -9.267 0.000) 9.545 11.240 ( -2.995 2.268 0.000) 3.757 12.680 ( 14.926 -2.860 0.000) 15.198 12.940 ( 24.876 -1.413 0.000) 24.916 13.007 ( 9.235 -0.647 0.000) 9.258 13.238 ( 5.421 -7.813 0.000) 9.510 14.019 ( 7.564 -2.744 0.000) 8.046 14.488 ( 0.530 -0.752 0.000) 0.920 14.889 ( -5.320 0.650 0.000) 5.359 15.562 ( -16.839 -4.769 0.000) 17.501 15.618 ( -47.631 -19.571 0.000) 51.495 15.731 ( -6.324 -6.612 0.000) 9.149 16.304 ( -7.855 1.873 0.000) 8.076 17.238 ( -0.965 -0.792 0.000) 1.248 17.245 ( 36.466 -3.001 0.000) 36.589 17.473 ( 7.483 0.920 0.000) 7.539 18.573 ( 6.249 6.957 0.000) 9.351 18.976 ( 7.704 -2.083 0.000) 7.980 19.928 ( 6.063 1.142 0.000) 6.169 20.166 ( -3.032 -0.246 0.000) 3.042 25.690 ( -6.272 1.688 0.000) 6.495 25.907 ( -5.375 -15.514 0.000) 16.419 26.968 ( 4.550 5.735 0.000) 7.321 27.035 ( 4.452 -3.373 0.000) 5.586 27.880 ( -1.710 1.209 0.000) 2.095 27.882 ( -4.102 4.315 0.000) 5.953 28.534 ( -16.581 15.279 0.000) 22.547 28.717 ( 6.177 12.775 0.000) 14.191 28.980 ( -27.298 -4.204 0.000) 27.620 30.427 ( 11.820 -11.042 0.000) 16.175 32.031 ( 3.996 1.033 0.000) 4.127 32.314 ( 13.155 -5.301 0.000) 14.183 ======================= Grid point 30 (23/108) ======================= q-point: (-0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -24.701 35.493 0.000) 43.243 2.057 ( -50.758 21.683 0.000) 55.195 3.515 ( -11.911 40.427 0.000) 42.145 3.677 ( -18.030 15.764 0.000) 23.949 3.732 ( 4.624 21.681 0.000) 22.169 4.270 ( -6.110 28.070 0.000) 28.727 4.367 ( -13.744 -2.463 0.000) 13.963 4.567 ( -2.376 10.199 0.000) 10.472 4.587 ( -13.676 -2.089 0.000) 13.835 4.788 ( -3.572 2.579 0.000) 4.406 4.933 ( 0.478 14.109 0.000) 14.117 5.304 ( -10.474 5.521 0.000) 11.840 5.766 ( 2.685 8.230 0.000) 8.657 5.929 ( 6.376 -16.621 0.000) 17.802 6.100 ( 4.092 2.405 0.000) 4.747 6.181 ( 1.762 1.982 0.000) 2.651 6.299 ( 4.180 -8.397 0.000) 9.380 6.424 ( -0.698 -20.431 0.000) 20.443 6.494 ( 2.203 0.882 0.000) 2.374 6.727 ( 0.158 -2.454 0.000) 2.459 6.833 ( -1.521 -2.076 0.000) 2.574 6.875 ( -3.698 1.329 0.000) 3.929 7.070 ( -3.409 8.568 0.000) 9.221 7.250 ( -7.402 -6.845 0.000) 10.082 7.539 ( -7.113 -4.425 0.000) 8.377 7.773 ( 2.968 0.269 0.000) 2.980 7.780 ( -6.859 7.292 0.000) 10.011 7.985 ( -10.075 -5.030 0.000) 11.261 8.068 ( 0.264 3.396 0.000) 3.406 8.291 ( -0.913 -8.383 0.000) 8.433 8.462 ( -14.952 9.044 0.000) 17.474 8.854 ( 14.499 -14.299 0.000) 20.364 8.974 ( 1.082 1.285 0.000) 1.679 9.353 ( 3.440 0.721 0.000) 3.515 9.866 ( -1.668 4.360 0.000) 4.668 10.114 ( -26.682 -4.331 0.000) 27.031 10.246 ( -18.597 -4.071 0.000) 19.037 10.527 ( -7.654 -6.969 0.000) 10.352 10.657 ( -1.176 -2.068 0.000) 2.379 10.953 ( 1.860 -11.528 0.000) 11.677 11.172 ( -2.059 2.597 0.000) 3.314 11.293 ( 9.110 -11.001 0.000) 14.283 12.929 ( 9.738 -2.641 0.000) 10.090 13.153 ( 6.572 -0.470 0.000) 6.589 13.379 ( 22.582 -0.348 0.000) 22.585 13.468 ( 12.697 -8.803 0.000) 15.450 14.152 ( 3.750 -5.196 0.000) 6.408 14.377 ( -12.484 -3.199 0.000) 12.887 14.788 ( -4.942 1.042 0.000) 5.051 14.877 ( -55.142 -17.612 0.000) 57.887 15.337 ( -12.030 -4.463 0.000) 12.831 15.757 ( -0.036 -7.260 0.000) 7.260 16.184 ( -2.538 4.267 0.000) 4.965 17.245 ( 0.211 -1.828 0.000) 1.840 17.585 ( 5.440 1.242 0.000) 5.580 17.859 ( 27.334 -4.312 0.000) 27.672 18.597 ( 3.221 6.160 0.000) 6.951 19.143 ( 8.370 -1.645 0.000) 8.531 19.992 ( 2.225 0.680 0.000) 2.326 20.055 ( -8.293 -0.087 0.000) 8.294 25.586 ( -3.387 2.351 0.000) 4.123 25.982 ( -3.214 -18.366 0.000) 18.645 26.981 ( 1.747 2.526 0.000) 3.071 27.062 ( -4.633 -2.794 0.000) 5.410 27.775 ( -3.541 2.333 0.000) 4.241 27.835 ( -1.236 2.575 0.000) 2.857 28.142 ( -12.298 12.770 0.000) 17.729 28.625 ( -13.941 2.651 0.000) 14.190 28.660 ( 2.512 16.873 0.000) 17.059 30.769 ( 14.833 -9.720 0.000) 17.734 32.073 ( 1.767 0.790 0.000) 1.935 32.570 ( 8.519 -7.958 0.000) 11.658 ======================= Grid point 31 (24/108) ======================= q-point: (-0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 0.000 32.774 0.000) 32.774 1.279 ( 0.000 38.588 0.000) 38.588 2.881 ( 0.000 74.134 0.000) 74.134 3.368 ( 0.000 0.289 0.000) 0.289 3.591 ( 0.000 21.019 0.000) 21.019 3.942 ( 0.000 29.292 0.000) 29.292 4.378 ( -0.000 -11.329 0.000) 11.329 4.414 ( 0.000 4.395 0.000) 4.395 4.425 ( 0.000 13.859 0.000) 13.859 4.734 ( 0.000 1.669 0.000) 1.669 4.830 ( 0.000 10.354 0.000) 10.354 5.162 ( 0.000 2.828 0.000) 2.828 5.734 ( 0.000 6.453 0.000) 6.453 6.098 ( 0.000 2.471 0.000) 2.471 6.116 ( -0.000 -13.051 0.000) 13.051 6.216 ( -0.000 -0.018 0.000) 0.018 6.394 ( -0.000 -3.149 0.000) 3.149 6.578 ( -0.000 -5.952 0.000) 5.952 6.624 ( -0.000 -17.443 0.000) 17.443 6.698 ( 0.000 3.784 0.000) 3.784 6.781 ( 0.000 2.133 0.000) 2.133 6.858 ( -0.000 -3.525 0.000) 3.525 6.984 ( 0.000 0.972 0.000) 0.972 7.240 ( -0.000 -6.643 0.000) 6.643 7.494 ( -0.000 -1.880 0.000) 1.880 7.672 ( 0.000 4.002 0.000) 4.002 7.808 ( -0.000 -0.362 0.000) 0.362 7.906 ( -0.000 -4.138 0.000) 4.138 8.142 ( 0.000 8.128 0.000) 8.128 8.160 ( 0.000 2.953 0.000) 2.953 8.404 ( -0.000 -9.017 0.000) 9.017 8.965 ( 0.000 3.059 0.000) 3.059 9.176 ( -0.000 -14.728 0.000) 14.728 9.381 ( 0.000 0.144 0.000) 0.144 9.819 ( 0.000 4.839 0.000) 4.839 9.836 ( -0.000 -1.937 0.000) 1.937 10.088 ( -0.000 -3.419 0.000) 3.419 10.526 ( -0.000 -7.171 0.000) 7.171 10.656 ( -0.000 -0.124 0.000) 0.124 11.054 ( -0.000 -7.496 0.000) 7.496 11.129 ( 0.000 2.580 0.000) 2.580 11.573 ( -0.000 -18.502 0.000) 18.502 13.041 ( -0.000 -2.216 0.000) 2.216 13.231 ( -0.000 -0.825 0.000) 0.825 13.616 ( 0.000 2.039 0.000) 2.039 13.828 ( -0.000 -12.519 0.000) 12.519 14.175 ( 0.000 0.703 0.000) 0.703 14.239 ( -0.000 -5.853 0.000) 5.853 14.258 ( -0.000 -5.493 0.000) 5.493 14.728 ( 0.000 1.524 0.000) 1.524 15.261 ( -0.000 -4.341 0.000) 4.341 15.816 ( -0.000 -6.283 0.000) 6.283 16.128 ( 0.000 4.687 0.000) 4.687 17.267 ( -0.000 -2.342 0.000) 2.342 17.621 ( 0.000 2.042 0.000) 2.042 18.169 ( -0.000 -4.808 0.000) 4.808 18.577 ( 0.000 5.001 0.000) 5.001 19.250 ( -0.000 -2.461 0.000) 2.461 19.954 ( 0.000 0.345 0.000) 0.345 20.008 ( 0.000 0.577 0.000) 0.577 25.534 ( 0.000 2.455 0.000) 2.455 26.123 ( -0.000 -20.010 0.000) 20.010 26.988 ( -0.000 -0.051 0.000) 0.051 27.001 ( -0.000 -0.158 0.000) 0.158 27.711 ( 0.000 6.721 0.000) 6.721 27.799 ( 0.000 2.605 0.000) 2.605 27.938 ( 0.000 5.985 0.000) 5.985 28.448 ( 0.000 7.171 0.000) 7.171 28.518 ( 0.000 19.137 0.000) 19.137 31.029 ( -0.000 -11.421 0.000) 11.421 32.082 ( 0.000 0.663 0.000) 0.663 32.725 ( -0.000 -8.527 0.000) 8.527 ======================= Grid point 36 (25/108) ======================= q-point: ( 0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 16.300 -0.000 0.000) 16.300 3.660 ( 6.257 -0.000 0.000) 6.257 4.330 ( 10.474 -0.000 0.000) 10.474 4.352 ( -18.774 0.000 0.000) 18.774 4.617 ( -2.986 0.000 0.000) 2.986 4.629 ( 6.905 -0.000 0.000) 6.905 4.883 ( 9.242 -0.000 0.000) 9.242 4.955 ( 24.676 -0.000 0.000) 24.676 5.032 ( -8.312 0.000 0.000) 8.312 5.109 ( 6.455 -0.000 0.000) 6.455 5.530 ( -11.895 0.000 0.000) 11.895 5.610 ( 3.254 -0.000 0.000) 3.254 5.644 ( -7.792 0.000 0.000) 7.792 5.646 ( 0.584 -0.000 0.000) 0.584 5.933 ( -9.614 0.000 0.000) 9.614 6.239 ( 0.632 -0.000 0.000) 0.632 6.360 ( -1.139 0.000 0.000) 1.139 6.572 ( 9.922 -0.000 0.000) 9.922 6.598 ( 1.422 -0.000 0.000) 1.422 6.804 ( 1.628 -0.000 0.000) 1.628 6.886 ( 5.033 -0.000 0.000) 5.033 7.123 ( -0.961 0.000 0.000) 0.961 7.188 ( -0.984 0.000 0.000) 0.984 7.396 ( -4.127 0.000 0.000) 4.127 7.478 ( -2.770 0.000 0.000) 2.770 8.124 ( -0.288 0.000 0.000) 0.288 8.194 ( 2.350 -0.000 0.000) 2.350 8.274 ( -15.542 0.000 0.000) 15.542 8.599 ( 11.208 -0.000 0.000) 11.208 8.903 ( -3.764 0.000 0.000) 3.764 8.977 ( -7.003 0.000 0.000) 7.003 9.325 ( 6.622 -0.000 0.000) 6.622 10.121 ( 1.440 -0.000 0.000) 1.440 10.331 ( -5.587 0.000 0.000) 5.587 10.598 ( 0.089 -0.000 0.000) 0.089 10.671 ( -5.342 0.000 0.000) 5.342 10.954 ( -34.421 0.000 0.000) 34.421 11.001 ( -41.100 0.000 0.000) 41.100 11.345 ( -9.876 0.000 0.000) 9.876 11.361 ( 3.659 -0.000 0.000) 3.659 11.494 ( 14.594 -0.000 0.000) 14.594 11.814 ( 21.399 -0.000 0.000) 21.399 11.962 ( 3.539 -0.000 0.000) 3.539 12.186 ( -23.135 0.000 0.000) 23.135 12.836 ( -17.512 0.000 0.000) 17.512 12.920 ( 2.743 -0.000 0.000) 2.743 13.411 ( 9.021 -0.000 0.000) 9.021 13.463 ( 23.381 -0.000 0.000) 23.381 15.266 ( -12.741 0.000 0.000) 12.741 15.413 ( 21.490 -0.000 0.000) 21.490 16.352 ( 6.166 -0.000 0.000) 6.166 16.380 ( -15.925 0.000 0.000) 15.925 16.488 ( -18.399 0.000 0.000) 18.399 16.861 ( -13.098 0.000 0.000) 13.098 17.195 ( 10.740 -0.000 0.000) 10.740 17.531 ( 6.064 -0.000 0.000) 6.064 18.602 ( -18.131 0.000 0.000) 18.131 19.120 ( -18.964 0.000 0.000) 18.964 19.424 ( 14.668 -0.000 0.000) 14.668 19.681 ( 18.953 -0.000 0.000) 18.953 25.922 ( -8.775 0.000 0.000) 8.775 26.286 ( -13.976 0.000 0.000) 13.976 26.355 ( 13.403 -0.000 0.000) 13.403 26.905 ( 3.739 -0.000 0.000) 3.739 27.867 ( 4.538 -0.000 0.000) 4.538 27.873 ( -0.638 0.000 0.000) 0.638 28.367 ( 12.199 -0.000 0.000) 12.199 28.870 ( 19.079 -0.000 0.000) 19.079 30.684 ( -34.987 0.000 0.000) 34.987 30.837 ( -31.676 0.000 0.000) 31.676 31.362 ( 22.645 -0.000 0.000) 22.645 31.657 ( 12.728 -0.000 0.000) 12.728 ======================= Grid point 37 (26/108) ======================= q-point: (-0.64 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( 0.035 -2.188 0.000) 2.188 3.734 ( 12.210 -7.244 0.000) 14.197 4.019 ( -19.456 -1.048 0.000) 19.485 4.476 ( 4.707 -2.946 0.000) 5.553 4.500 ( -9.528 8.293 0.000) 12.632 4.738 ( 5.062 1.249 0.000) 5.214 4.763 ( -15.073 5.822 0.000) 16.158 5.090 ( 8.747 -1.771 0.000) 8.924 5.166 ( 9.248 11.739 0.000) 14.944 5.249 ( -1.381 15.323 0.000) 15.385 5.304 ( 5.557 6.492 0.000) 8.545 5.598 ( 5.830 3.418 0.000) 6.758 5.672 ( -4.180 -19.301 0.000) 19.749 5.684 ( 4.811 1.815 0.000) 5.142 5.904 ( -2.381 -13.043 0.000) 13.259 6.116 ( -6.849 8.706 0.000) 11.077 6.330 ( -4.376 -3.125 0.000) 5.378 6.622 ( -0.898 -2.419 0.000) 2.580 6.741 ( 6.838 -2.031 0.000) 7.133 6.756 ( -3.563 12.348 0.000) 12.851 6.952 ( 4.415 3.027 0.000) 5.353 7.034 ( -7.744 -3.952 0.000) 8.694 7.142 ( -1.145 7.454 0.000) 7.542 7.428 ( -9.028 -7.615 0.000) 11.811 7.437 ( -1.462 -17.419 0.000) 17.480 7.947 ( -9.474 1.576 0.000) 9.604 8.089 ( 0.104 13.574 0.000) 13.574 8.335 ( 1.666 -10.736 0.000) 10.865 8.665 ( -6.233 2.361 0.000) 6.665 8.779 ( -8.462 3.671 0.000) 9.224 8.947 ( 7.856 0.396 0.000) 7.866 9.383 ( 1.642 4.734 0.000) 5.010 9.925 ( -33.103 -0.031 0.000) 33.103 10.134 ( -49.860 1.384 0.000) 49.879 10.211 ( -6.669 1.419 0.000) 6.818 10.427 ( -13.992 0.500 0.000) 14.001 10.575 ( -3.291 -3.128 0.000) 4.541 10.655 ( -5.914 -10.011 0.000) 11.627 11.116 ( -15.845 -0.260 0.000) 15.847 11.381 ( -0.637 0.693 0.000) 0.942 11.467 ( -17.619 -1.499 0.000) 17.683 11.679 ( -31.409 -0.861 0.000) 31.421 12.093 ( 12.762 0.019 0.000) 12.762 12.156 ( 18.713 0.279 0.000) 18.716 12.705 ( 0.963 -0.850 0.000) 1.284 13.011 ( 4.443 -0.519 0.000) 4.473 13.620 ( 13.619 0.948 0.000) 13.652 13.916 ( 26.309 0.270 0.000) 26.310 15.096 ( -6.733 0.730 0.000) 6.772 15.861 ( 25.269 1.065 0.000) 25.292 16.090 ( -16.294 -2.799 0.000) 16.533 16.169 ( -15.919 -1.359 0.000) 15.977 16.355 ( -9.961 -3.011 0.000) 10.406 16.652 ( -11.512 -1.460 0.000) 11.604 17.297 ( 1.842 1.426 0.000) 2.330 17.479 ( -8.281 0.195 0.000) 8.284 18.474 ( 3.482 1.219 0.000) 3.689 18.874 ( -8.921 -1.111 0.000) 8.990 19.654 ( 12.535 1.763 0.000) 12.658 19.974 ( 13.816 0.366 0.000) 13.821 25.790 ( -7.855 -3.119 0.000) 8.452 26.059 ( -11.547 0.361 0.000) 11.553 26.592 ( 12.886 -0.908 0.000) 12.918 26.977 ( 6.206 3.524 0.000) 7.137 27.878 ( 0.276 -1.306 0.000) 1.335 27.957 ( 4.834 -0.261 0.000) 4.841 28.584 ( 12.726 1.269 0.000) 12.789 29.197 ( 19.874 6.842 0.000) 21.019 30.043 ( -37.865 -1.524 0.000) 37.896 30.254 ( -35.419 -6.059 0.000) 35.933 31.713 ( 17.632 0.049 0.000) 17.632 31.846 ( 9.260 0.798 0.000) 9.295 ======================= Grid point 38 (27/108) ======================= q-point: (-0.55 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( -19.467 0.541 0.000) 19.474 3.726 ( -3.806 -3.873 0.000) 5.430 3.964 ( -12.675 15.242 0.000) 19.824 4.013 ( -5.205 3.807 0.000) 6.449 4.532 ( -2.694 -4.068 0.000) 4.879 4.605 ( -0.679 0.189 0.000) 0.705 4.812 ( 3.374 1.492 0.000) 3.690 5.008 ( -4.862 6.567 0.000) 8.171 5.084 ( -4.832 17.714 0.000) 18.361 5.198 ( -6.244 4.646 0.000) 7.782 5.398 ( 13.654 2.028 0.000) 13.804 5.649 ( 5.764 10.662 0.000) 12.120 5.796 ( -0.706 -17.811 0.000) 17.825 5.846 ( 7.052 1.964 0.000) 7.320 5.930 ( -3.975 7.758 0.000) 8.717 5.964 ( -2.991 -8.124 0.000) 8.657 6.204 ( -10.910 0.979 0.000) 10.954 6.559 ( -2.249 7.073 0.000) 7.422 6.586 ( -3.834 2.035 0.000) 4.340 6.824 ( -1.282 -3.058 0.000) 3.316 6.932 ( -8.624 0.547 0.000) 8.642 6.938 ( 1.241 8.515 0.000) 8.605 7.135 ( 4.023 -1.353 0.000) 4.245 7.296 ( -10.846 -7.765 0.000) 13.339 7.544 ( -4.720 -15.995 0.000) 16.677 7.839 ( -3.483 2.125 0.000) 4.081 7.988 ( -1.097 5.076 0.000) 5.193 8.393 ( -5.258 -5.043 0.000) 7.285 8.481 ( -8.742 2.645 0.000) 9.133 8.547 ( -11.519 8.292 0.000) 14.193 9.124 ( 9.935 -0.234 0.000) 9.937 9.140 ( -43.446 0.997 0.000) 43.458 9.285 ( -19.455 9.727 0.000) 21.751 9.307 ( -27.062 -0.556 0.000) 27.067 10.089 ( -5.052 2.256 0.000) 5.532 10.359 ( -0.969 -4.422 0.000) 4.527 10.554 ( -3.351 -5.600 0.000) 6.526 10.696 ( -4.467 -16.038 0.000) 16.648 10.835 ( -15.723 -2.282 0.000) 15.888 11.040 ( -30.104 -2.614 0.000) 30.217 11.149 ( -30.429 -3.768 0.000) 30.661 11.341 ( -2.593 1.322 0.000) 2.910 12.352 ( 15.338 -0.983 0.000) 15.369 12.502 ( 21.125 -0.487 0.000) 21.130 12.820 ( 10.020 -0.235 0.000) 10.023 13.068 ( 1.535 -1.598 0.000) 2.216 13.832 ( 10.415 0.140 0.000) 10.416 14.318 ( 17.990 0.309 0.000) 17.993 14.994 ( -4.757 0.716 0.000) 4.811 15.760 ( -15.903 -1.080 0.000) 15.939 15.815 ( -19.508 -4.760 0.000) 20.080 16.001 ( -34.126 -7.003 0.000) 34.837 16.453 ( 1.094 0.877 0.000) 1.402 16.553 ( 25.293 -3.128 0.000) 25.486 17.272 ( -2.500 0.631 0.000) 2.578 17.399 ( 1.041 0.360 0.000) 1.101 18.595 ( 10.245 4.306 0.000) 11.113 18.823 ( 1.071 -2.047 0.000) 2.310 19.832 ( 9.206 1.554 0.000) 9.336 20.144 ( 5.551 0.228 0.000) 5.556 25.702 ( -6.897 -6.186 0.000) 9.265 25.876 ( -8.873 0.493 0.000) 8.887 26.812 ( 10.291 -1.831 0.000) 10.452 27.048 ( 5.494 4.737 0.000) 7.254 27.895 ( 0.461 -0.665 0.000) 0.809 28.012 ( 1.388 2.059 0.000) 2.483 28.777 ( 11.416 3.949 0.000) 12.080 29.253 ( -7.314 19.069 0.000) 20.424 29.413 ( -35.268 -3.045 0.000) 35.399 29.932 ( -4.998 -18.030 0.000) 18.710 31.968 ( 7.228 0.970 0.000) 7.293 31.997 ( 12.762 -1.291 0.000) 12.827 ======================= Grid point 39 (28/108) ======================= q-point: (-0.45 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -30.358 8.107 0.000) 31.422 3.231 ( -28.651 29.673 0.000) 41.248 3.706 ( -4.784 -5.274 0.000) 7.121 4.129 ( 8.464 11.748 0.000) 14.480 4.413 ( -12.000 4.279 0.000) 12.740 4.660 ( 2.002 -5.303 0.000) 5.668 4.792 ( -21.691 -0.155 0.000) 21.692 4.821 ( -0.096 3.325 0.000) 3.326 4.889 ( -2.718 5.296 0.000) 5.953 4.910 ( -13.463 8.123 0.000) 15.723 5.535 ( 5.524 3.387 0.000) 6.480 5.594 ( -3.198 18.772 0.000) 19.043 5.760 ( 2.493 20.507 0.000) 20.658 5.904 ( 1.456 -6.333 0.000) 6.499 5.936 ( -3.271 2.959 0.000) 4.411 5.964 ( 5.301 -10.905 0.000) 12.126 6.085 ( -5.322 -5.256 0.000) 7.480 6.450 ( -6.439 7.279 0.000) 9.718 6.531 ( -1.528 -0.057 0.000) 1.529 6.755 ( -4.986 -0.151 0.000) 4.988 6.773 ( -2.924 0.424 0.000) 2.955 6.919 ( -0.164 1.719 0.000) 1.727 7.217 ( -6.402 -5.995 0.000) 8.770 7.226 ( 3.816 -0.271 0.000) 3.826 7.540 ( -7.618 -8.162 0.000) 11.165 7.769 ( -0.809 1.911 0.000) 2.076 7.947 ( -4.734 -3.976 0.000) 6.182 8.225 ( -9.990 1.697 0.000) 10.133 8.234 ( -12.874 10.321 0.000) 16.500 8.408 ( 0.830 -3.686 0.000) 3.778 8.459 ( -30.124 -0.391 0.000) 30.126 8.915 ( -11.584 -1.718 0.000) 11.710 9.053 ( -7.210 10.650 0.000) 12.861 9.273 ( 6.714 -0.078 0.000) 6.715 9.998 ( -2.909 2.597 0.000) 3.899 10.394 ( -5.343 -7.561 0.000) 9.258 10.498 ( -26.695 -5.557 0.000) 27.267 10.572 ( -14.331 -6.299 0.000) 15.654 10.578 ( -6.805 -4.407 0.000) 8.107 10.670 ( -19.739 -9.176 0.000) 21.768 10.868 ( -2.932 -16.581 0.000) 16.838 11.278 ( -2.713 1.923 0.000) 3.325 12.634 ( 14.699 -2.214 0.000) 14.864 12.913 ( 24.492 -1.402 0.000) 24.532 13.012 ( 10.175 0.976 0.000) 10.222 13.132 ( 4.862 -4.261 0.000) 6.465 13.976 ( 5.156 -1.982 0.000) 5.524 14.480 ( -0.809 -0.237 0.000) 0.843 14.902 ( -5.110 0.702 0.000) 5.158 15.368 ( -44.082 -9.432 0.000) 45.079 15.491 ( -16.553 -3.110 0.000) 16.842 15.614 ( -7.231 -6.014 0.000) 9.405 16.335 ( -5.653 1.484 0.000) 5.845 17.191 ( 35.447 -2.779 0.000) 35.555 17.227 ( -1.874 -0.414 0.000) 1.919 17.480 ( 6.599 -0.100 0.000) 6.600 18.695 ( 6.340 6.597 0.000) 9.149 18.933 ( 8.013 -2.669 0.000) 8.446 19.948 ( 5.395 1.024 0.000) 5.491 20.162 ( -3.351 -0.212 0.000) 3.358 25.657 ( -5.497 -7.800 0.000) 9.543 25.742 ( -6.105 -0.699 0.000) 6.145 26.970 ( 5.089 -2.213 0.000) 5.550 27.069 ( 0.964 3.798 0.000) 3.918 27.900 ( 0.106 0.970 0.000) 0.975 27.945 ( -6.429 2.755 0.000) 6.995 28.801 ( -21.387 12.579 0.000) 24.812 28.900 ( 8.175 7.773 0.000) 11.280 28.936 ( -18.897 0.613 0.000) 18.907 30.205 ( 13.824 -13.085 0.000) 19.034 32.048 ( 3.654 0.845 0.000) 3.751 32.231 ( 10.710 -3.825 0.000) 11.373 ======================= Grid point 40 (29/108) ======================= q-point: (-0.36 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -39.225 20.753 0.000) 44.377 2.502 ( -19.820 35.532 0.000) 40.686 3.575 ( -16.129 -2.179 0.000) 16.276 4.112 ( 6.125 20.032 0.000) 20.948 4.122 ( -11.221 -1.818 0.000) 11.367 4.411 ( -15.514 8.385 0.000) 17.635 4.661 ( -2.504 9.052 0.000) 9.392 4.684 ( -3.768 13.937 0.000) 14.437 4.737 ( 0.108 11.366 0.000) 11.366 4.825 ( -2.214 1.270 0.000) 2.553 5.326 ( -0.743 28.156 0.000) 28.165 5.425 ( -15.733 10.750 0.000) 19.055 5.651 ( 5.233 -10.523 0.000) 11.752 5.915 ( 0.560 8.031 0.000) 8.051 6.020 ( 0.628 -14.094 0.000) 14.108 6.134 ( 3.893 -9.792 0.000) 10.537 6.143 ( 5.611 -4.369 0.000) 7.112 6.274 ( -5.032 6.602 0.000) 8.301 6.506 ( 0.454 0.299 0.000) 0.543 6.709 ( -1.100 -2.904 0.000) 3.105 6.813 ( 2.911 -0.438 0.000) 2.943 6.871 ( -3.657 1.463 0.000) 3.938 7.158 ( -4.340 -3.046 0.000) 5.302 7.235 ( 0.129 7.281 0.000) 7.282 7.462 ( -5.466 -4.093 0.000) 6.829 7.788 ( 2.257 0.126 0.000) 2.261 7.892 ( -4.810 -4.082 0.000) 6.308 7.945 ( -8.182 10.843 0.000) 13.584 8.058 ( -8.776 -2.903 0.000) 9.244 8.211 ( 0.259 0.048 0.000) 0.264 8.592 ( 9.416 -14.143 0.000) 16.990 8.645 ( -12.569 9.877 0.000) 15.985 8.983 ( 0.853 -0.123 0.000) 0.861 9.361 ( 3.313 0.157 0.000) 3.317 9.930 ( -3.230 2.640 0.000) 4.172 10.046 ( -22.472 -3.056 0.000) 22.679 10.174 ( -18.013 -3.744 0.000) 18.398 10.398 ( -9.156 -7.198 0.000) 11.647 10.591 ( -0.879 -5.109 0.000) 5.184 10.685 ( 0.318 -17.430 0.000) 17.433 11.021 ( 1.293 -18.445 0.000) 18.490 11.218 ( -1.741 2.477 0.000) 3.027 12.883 ( 10.191 -2.487 0.000) 10.490 13.123 ( 3.096 -2.940 0.000) 4.269 13.358 ( 15.639 -3.168 0.000) 15.956 13.364 ( 24.216 -1.173 0.000) 24.245 14.059 ( 1.248 -5.033 0.000) 5.185 14.324 ( -15.633 -2.675 0.000) 15.860 14.670 ( -41.959 -7.073 0.000) 42.551 14.809 ( -4.168 1.140 0.000) 4.321 15.273 ( -10.418 -2.662 0.000) 10.753 15.626 ( -0.001 -7.067 0.000) 7.067 16.249 ( -1.912 3.004 0.000) 3.561 17.218 ( -0.150 -1.140 0.000) 1.150 17.591 ( 4.963 -0.459 0.000) 4.984 17.778 ( 25.614 -4.451 0.000) 25.998 18.714 ( 2.919 6.862 0.000) 7.458 19.102 ( 7.229 -2.806 0.000) 7.755 20.005 ( 1.978 0.755 0.000) 2.118 20.054 ( -7.607 -0.085 0.000) 7.607 25.616 ( -3.182 -0.039 0.000) 3.182 25.709 ( -3.205 -11.029 0.000) 11.485 27.009 ( -1.395 0.147 0.000) 1.403 27.032 ( -2.542 -0.215 0.000) 2.551 27.792 ( -7.137 0.111 0.000) 7.138 27.882 ( -0.254 2.533 0.000) 2.546 28.393 ( -11.216 13.585 0.000) 17.617 28.698 ( -6.327 5.880 0.000) 8.637 28.918 ( 3.858 11.986 0.000) 12.592 30.559 ( 11.735 -13.113 0.000) 17.597 32.087 ( 1.648 0.765 0.000) 1.817 32.435 ( 6.669 -6.868 0.000) 9.573 ======================= Grid point 41 (30/108) ======================= q-point: (-0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 30.267 0.000) 30.267 1.976 ( 0.000 39.326 0.000) 39.326 3.370 ( -0.000 -0.033 0.000) 0.033 3.984 ( 0.000 22.190 0.000) 22.190 4.006 ( 0.000 46.930 0.000) 46.930 4.150 ( -0.000 -14.083 0.000) 14.083 4.453 ( 0.000 25.311 0.000) 25.311 4.529 ( 0.000 10.231 0.000) 10.231 4.656 ( 0.000 11.115 0.000) 11.115 4.775 ( 0.000 2.674 0.000) 2.674 5.095 ( 0.000 21.917 0.000) 21.917 5.219 ( 0.000 3.510 0.000) 3.510 5.840 ( -0.000 -16.941 0.000) 16.941 5.850 ( 0.000 6.216 0.000) 6.216 6.161 ( 0.000 4.340 0.000) 4.340 6.195 ( -0.000 -22.848 0.000) 22.848 6.219 ( 0.000 0.631 0.000) 0.631 6.271 ( -0.000 -9.190 0.000) 9.190 6.528 ( -0.000 -1.099 0.000) 1.099 6.776 ( -0.000 -7.595 0.000) 7.595 6.779 ( 0.000 5.376 0.000) 5.376 6.822 ( 0.000 2.328 0.000) 2.328 7.136 ( 0.000 11.587 0.000) 11.587 7.144 ( -0.000 -3.744 0.000) 3.744 7.449 ( -0.000 -3.298 0.000) 3.298 7.784 ( 0.000 8.725 0.000) 8.725 7.821 ( 0.000 2.138 0.000) 2.138 7.833 ( -0.000 -4.012 0.000) 4.012 8.100 ( -0.000 -9.973 0.000) 9.973 8.209 ( 0.000 2.571 0.000) 2.571 8.428 ( 0.000 9.378 0.000) 9.378 8.867 ( -0.000 -18.826 0.000) 18.826 8.997 ( 0.000 0.380 0.000) 0.380 9.388 ( 0.000 0.359 0.000) 0.359 9.801 ( -0.000 -1.949 0.000) 1.949 9.903 ( 0.000 4.210 0.000) 4.210 10.024 ( -0.000 -3.681 0.000) 3.681 10.387 ( -0.000 -8.117 0.000) 8.117 10.623 ( -0.000 -3.609 0.000) 3.609 10.847 ( -0.000 -15.924 0.000) 15.924 11.178 ( 0.000 2.816 0.000) 2.816 11.220 ( -0.000 -20.674 0.000) 20.674 12.999 ( -0.000 -2.326 0.000) 2.326 13.187 ( -0.000 -4.081 0.000) 4.081 13.641 ( -0.000 -7.576 0.000) 7.576 13.648 ( 0.000 1.543 0.000) 1.543 14.123 ( -0.000 -6.825 0.000) 6.825 14.151 ( -0.000 -6.248 0.000) 6.248 14.188 ( 0.000 0.736 0.000) 0.736 14.757 ( 0.000 1.620 0.000) 1.620 15.198 ( -0.000 -2.605 0.000) 2.605 15.693 ( -0.000 -7.238 0.000) 7.238 16.205 ( 0.000 3.805 0.000) 3.805 17.231 ( -0.000 -1.644 0.000) 1.644 17.640 ( 0.000 0.057 0.000) 0.057 18.073 ( -0.000 -5.682 0.000) 5.682 18.680 ( 0.000 6.523 0.000) 6.523 19.200 ( -0.000 -3.164 0.000) 3.164 19.961 ( 0.000 0.420 0.000) 0.420 20.019 ( 0.000 0.687 0.000) 0.687 25.576 ( 0.000 2.048 0.000) 2.048 25.801 ( -0.000 -15.610 0.000) 15.610 26.987 ( -0.000 -0.030 0.000) 0.030 26.998 ( -0.000 -0.197 0.000) 0.197 27.737 ( -0.000 -1.258 0.000) 1.258 27.852 ( 0.000 3.163 0.000) 3.163 28.162 ( 0.000 15.856 0.000) 15.856 28.580 ( 0.000 7.807 0.000) 7.807 28.828 ( 0.000 15.330 0.000) 15.330 30.797 ( -0.000 -14.191 0.000) 14.191 32.095 ( 0.000 0.754 0.000) 0.754 32.568 ( -0.000 -8.678 0.000) 8.678 ======================= Grid point 48 (31/108) ======================= q-point: (-0.64 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.678 ( -19.066 0.000 0.000) 19.066 3.687 ( -2.426 0.000 0.000) 2.426 3.937 ( 14.203 -0.000 0.000) 14.203 4.210 ( -27.145 0.000 0.000) 27.145 4.491 ( -0.866 0.000 0.000) 0.866 4.628 ( -2.310 0.000 0.000) 2.310 4.812 ( 1.443 -0.000 0.000) 1.443 5.075 ( -6.553 0.000 0.000) 6.553 5.237 ( -9.620 0.000 0.000) 9.620 5.321 ( -10.457 0.000 0.000) 10.457 5.467 ( 15.372 -0.000 0.000) 15.372 5.556 ( 1.442 -0.000 0.000) 1.442 5.663 ( 0.399 -0.000 0.000) 0.399 5.811 ( 13.687 -0.000 0.000) 13.687 5.945 ( 7.477 -0.000 0.000) 7.477 6.035 ( -6.095 0.000 0.000) 6.095 6.191 ( -8.603 0.000 0.000) 8.603 6.574 ( -2.759 0.000 0.000) 2.759 6.750 ( -12.315 0.000 0.000) 12.315 6.795 ( -0.307 0.000 0.000) 0.307 6.820 ( -1.929 0.000 0.000) 1.929 7.037 ( 3.491 -0.000 0.000) 3.491 7.218 ( -0.319 0.000 0.000) 0.319 7.244 ( -9.365 0.000 0.000) 9.365 7.288 ( -1.119 0.000 0.000) 1.119 7.806 ( -5.414 0.000 0.000) 5.414 8.190 ( -2.442 0.000 0.000) 2.442 8.260 ( -1.438 0.000 0.000) 1.438 8.509 ( -10.419 0.000 0.000) 10.419 8.624 ( -10.867 0.000 0.000) 10.867 9.123 ( 9.975 -0.000 0.000) 9.975 9.147 ( -45.805 0.000 0.000) 45.805 9.279 ( -37.006 0.000 0.000) 37.006 9.403 ( -8.805 0.000 0.000) 8.805 10.112 ( -5.162 0.000 0.000) 5.162 10.374 ( -0.067 0.000 0.000) 0.067 10.476 ( -7.260 0.000 0.000) 7.260 10.498 ( -3.576 0.000 0.000) 3.576 10.816 ( -16.912 0.000 0.000) 16.912 11.017 ( -29.977 0.000 0.000) 29.977 11.112 ( -31.806 0.000 0.000) 31.806 11.354 ( -2.518 0.000 0.000) 2.518 12.343 ( 14.807 -0.000 0.000) 14.807 12.497 ( 20.721 -0.000 0.000) 20.721 12.820 ( 10.934 -0.000 0.000) 10.934 13.055 ( 1.002 -0.000 0.000) 1.002 13.833 ( 9.647 -0.000 0.000) 9.647 14.321 ( 17.927 -0.000 0.000) 17.927 15.001 ( -4.973 0.000 0.000) 4.973 15.756 ( -17.252 0.000 0.000) 17.252 15.765 ( -19.129 0.000 0.000) 19.129 15.939 ( -34.066 0.000 0.000) 34.066 16.472 ( -8.324 0.000 0.000) 8.324 16.514 ( 35.851 -0.000 0.000) 35.851 17.278 ( -3.393 0.000 0.000) 3.393 17.402 ( 0.961 -0.000 0.000) 0.961 18.636 ( 11.595 -0.000 0.000) 11.595 18.803 ( 0.395 -0.000 0.000) 0.395 19.846 ( 8.587 -0.000 0.000) 8.587 20.146 ( 5.274 -0.000 0.000) 5.274 25.646 ( -6.934 0.000 0.000) 6.934 25.881 ( -8.886 0.000 0.000) 8.886 26.795 ( 10.323 -0.000 0.000) 10.323 27.091 ( 4.454 -0.000 0.000) 4.454 27.889 ( 1.313 -0.000 0.000) 1.313 28.030 ( 2.125 -0.000 0.000) 2.125 28.811 ( 12.065 -0.000 0.000) 12.065 29.378 ( -33.391 0.000 0.000) 33.391 29.582 ( -34.388 0.000 0.000) 34.388 29.619 ( 20.410 -0.000 0.000) 20.410 31.980 ( 5.899 -0.000 0.000) 5.899 31.982 ( 13.148 -0.000 0.000) 13.148 ======================= Grid point 50 (32/108) ======================= q-point: (-0.55 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( -23.105 3.171 0.000) 23.321 3.637 ( -4.390 -2.163 0.000) 4.894 3.649 ( -27.188 14.436 0.000) 30.783 4.206 ( 14.613 -1.045 0.000) 14.650 4.430 ( -9.503 -0.410 0.000) 9.512 4.617 ( 1.145 1.080 0.000) 1.574 4.773 ( -35.604 -0.734 0.000) 35.612 4.796 ( -3.595 -2.488 0.000) 4.372 4.971 ( -3.931 1.848 0.000) 4.344 5.089 ( -8.550 8.273 0.000) 11.897 5.588 ( 2.649 -0.444 0.000) 2.686 5.741 ( 3.440 -0.560 0.000) 3.485 5.772 ( 12.930 -2.989 0.000) 13.271 5.877 ( -6.549 -1.812 0.000) 6.795 5.947 ( 0.253 3.276 0.000) 3.286 6.053 ( 5.793 8.219 0.000) 10.056 6.095 ( -3.400 1.738 0.000) 3.819 6.517 ( -4.333 0.482 0.000) 4.360 6.570 ( -3.674 4.198 0.000) 5.579 6.714 ( -9.047 -2.096 0.000) 9.286 6.766 ( -4.788 -2.269 0.000) 5.298 7.026 ( -0.465 6.953 0.000) 6.968 7.150 ( -0.960 -1.637 0.000) 1.898 7.212 ( 3.998 0.448 0.000) 4.023 7.366 ( -0.418 -9.932 0.000) 9.941 7.739 ( -4.192 -2.179 0.000) 4.724 8.035 ( -5.682 8.898 0.000) 10.557 8.209 ( -8.565 -3.222 0.000) 9.151 8.336 ( -8.833 1.327 0.000) 8.932 8.421 ( -8.477 3.075 0.000) 9.018 8.488 ( -25.580 2.821 0.000) 25.735 8.834 ( -12.805 -5.387 0.000) 13.892 9.226 ( -10.492 6.315 0.000) 12.245 9.273 ( 6.894 0.018 0.000) 6.894 10.035 ( -2.938 1.303 0.000) 3.214 10.313 ( -3.374 0.926 0.000) 3.499 10.414 ( -18.180 -3.099 0.000) 18.442 10.439 ( -9.983 -10.115 0.000) 14.212 10.522 ( -15.040 -1.657 0.000) 15.131 10.566 ( -17.903 -1.804 0.000) 17.994 10.619 ( -16.303 -8.194 0.000) 18.246 11.303 ( -2.609 0.764 0.000) 2.719 12.606 ( 14.461 -0.837 0.000) 14.485 12.895 ( 24.145 -0.585 0.000) 24.152 13.037 ( 9.474 1.799 0.000) 9.644 13.075 ( 5.285 -2.421 0.000) 5.813 13.951 ( 3.499 -0.718 0.000) 3.572 14.478 ( -1.709 -0.028 0.000) 1.710 14.911 ( -5.049 0.305 0.000) 5.058 15.263 ( -41.703 -2.780 0.000) 41.796 15.454 ( -15.937 -1.050 0.000) 15.971 15.535 ( -7.515 -2.447 0.000) 7.904 16.354 ( -4.835 0.558 0.000) 4.867 17.155 ( 34.974 -1.149 0.000) 34.993 17.223 ( -2.307 -0.127 0.000) 2.311 17.475 ( 5.830 -0.227 0.000) 5.834 18.800 ( 7.021 5.181 0.000) 8.725 18.878 ( 7.370 -3.632 0.000) 8.216 19.962 ( 4.937 0.419 0.000) 4.955 20.159 ( -3.519 -0.087 0.000) 3.520 25.550 ( -5.459 -3.185 0.000) 6.320 25.748 ( -6.040 0.336 0.000) 6.050 26.943 ( 5.687 -0.780 0.000) 5.741 27.114 ( -1.357 1.300 0.000) 1.879 27.912 ( 1.242 0.393 0.000) 1.303 27.978 ( -8.166 0.942 0.000) 8.220 28.869 ( -23.236 -0.199 0.000) 23.237 28.992 ( 9.299 2.569 0.000) 9.648 29.068 ( -16.816 7.614 0.000) 18.460 30.008 ( 17.360 -7.332 0.000) 18.845 32.059 ( 3.416 0.344 0.000) 3.433 32.184 ( 9.331 -1.396 0.000) 9.435 ======================= Grid point 51 (33/108) ======================= q-point: (-0.45 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 183 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -28.478 14.893 0.000) 32.138 3.064 ( -17.486 25.728 0.000) 31.108 3.540 ( -11.467 -1.685 0.000) 11.590 3.985 ( -28.236 -8.589 0.000) 29.513 4.398 ( 9.658 10.421 0.000) 14.209 4.476 ( -4.860 0.935 0.000) 4.949 4.651 ( 1.044 -3.997 0.000) 4.131 4.775 ( -1.091 -4.248 0.000) 4.386 4.886 ( -4.052 1.893 0.000) 4.473 4.920 ( -1.116 10.546 0.000) 10.605 5.508 ( -18.282 5.088 0.000) 18.977 5.610 ( 0.300 0.115 0.000) 0.322 5.873 ( -0.668 13.483 0.000) 13.500 5.875 ( 3.196 2.750 0.000) 4.216 5.975 ( 0.717 -0.008 0.000) 0.717 6.041 ( 0.005 5.044 0.000) 5.044 6.094 ( 10.551 -2.531 0.000) 10.851 6.387 ( -6.386 5.300 0.000) 8.299 6.513 ( -0.615 0.691 0.000) 0.925 6.601 ( -7.266 -7.856 0.000) 10.701 6.810 ( 5.690 -0.097 0.000) 5.691 6.953 ( -0.881 6.324 0.000) 6.385 7.155 ( 0.064 2.316 0.000) 2.317 7.287 ( 3.253 -1.069 0.000) 3.424 7.397 ( -3.136 -3.230 0.000) 4.502 7.727 ( 0.469 -4.345 0.000) 4.370 7.884 ( -6.159 0.379 0.000) 6.170 8.085 ( -5.014 7.077 0.000) 8.673 8.131 ( -7.581 8.997 0.000) 11.765 8.230 ( -0.616 1.551 0.000) 1.669 8.392 ( 2.474 -7.739 0.000) 8.125 8.734 ( -8.917 -2.158 0.000) 9.175 9.006 ( -4.967 3.885 0.000) 6.307 9.362 ( 3.380 0.081 0.000) 3.381 9.958 ( -12.947 0.610 0.000) 12.962 10.011 ( -10.754 -0.882 0.000) 10.790 10.121 ( -17.753 -2.053 0.000) 17.872 10.284 ( -8.824 -5.466 0.000) 10.380 10.409 ( -2.178 -11.211 0.000) 11.421 10.494 ( -0.872 -5.028 0.000) 5.103 10.681 ( -0.845 -18.087 0.000) 18.107 11.255 ( -1.577 1.531 0.000) 2.198 12.846 ( 10.543 -1.562 0.000) 10.658 13.072 ( 0.533 -2.152 0.000) 2.217 13.335 ( 16.478 -0.294 0.000) 16.480 13.343 ( 25.162 -1.045 0.000) 25.184 13.984 ( -0.922 -3.144 0.000) 3.277 14.286 ( -18.081 -1.520 0.000) 18.144 14.590 ( -35.648 -2.533 0.000) 35.738 14.827 ( -3.726 0.717 0.000) 3.794 15.241 ( -8.977 -1.028 0.000) 9.036 15.521 ( 0.407 -4.400 0.000) 4.418 16.289 ( -1.658 1.508 0.000) 2.241 17.204 ( -0.386 -0.540 0.000) 0.663 17.576 ( 4.421 -0.908 0.000) 4.513 17.711 ( 24.367 -2.874 0.000) 24.536 18.831 ( 2.949 6.066 0.000) 6.745 19.045 ( 6.465 -3.475 0.000) 7.339 20.017 ( 1.889 0.543 0.000) 1.966 20.052 ( -7.202 -0.087 0.000) 7.202 25.515 ( -3.088 -6.195 0.000) 6.922 25.663 ( -3.105 0.656 0.000) 3.174 26.998 ( -0.006 -0.643 0.000) 0.643 27.042 ( -4.574 0.558 0.000) 4.608 27.790 ( -9.583 -0.156 0.000) 9.584 27.920 ( 0.561 1.601 0.000) 1.696 28.562 ( -9.790 5.088 0.000) 11.033 28.842 ( -2.986 9.123 0.000) 9.600 29.079 ( 4.844 6.109 0.000) 7.797 30.339 ( 10.784 -10.458 0.000) 15.022 32.098 ( 1.548 0.485 0.000) 1.622 32.337 ( 5.317 -3.918 0.000) 6.604 ======================= Grid point 52 (34/108) ======================= q-point: (-0.36 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 0.000 25.275 0.000) 25.275 2.635 ( 0.000 33.528 0.000) 33.528 3.366 ( -0.000 -0.515 0.000) 0.515 3.890 ( -0.000 -14.739 0.000) 14.739 4.348 ( 0.000 18.229 0.000) 18.229 4.406 ( 0.000 6.320 0.000) 6.320 4.685 ( -0.000 -0.410 0.000) 0.410 4.792 ( 0.000 3.868 0.000) 3.868 4.809 ( 0.000 16.084 0.000) 16.084 4.827 ( 0.000 0.755 0.000) 0.755 5.280 ( 0.000 3.130 0.000) 3.130 5.629 ( -0.000 -3.950 0.000) 3.950 5.631 ( 0.000 32.597 0.000) 32.597 5.915 ( -0.000 -6.686 0.000) 6.686 5.945 ( 0.000 4.318 0.000) 4.318 6.102 ( -0.000 -9.157 0.000) 9.157 6.202 ( 0.000 0.390 0.000) 0.390 6.278 ( 0.000 5.362 0.000) 5.362 6.516 ( -0.000 -0.289 0.000) 0.289 6.616 ( -0.000 -10.175 0.000) 10.175 6.860 ( 0.000 1.829 0.000) 1.829 6.886 ( 0.000 6.500 0.000) 6.500 7.125 ( 0.000 2.054 0.000) 2.054 7.305 ( 0.000 6.608 0.000) 6.608 7.376 ( -0.000 -4.769 0.000) 4.769 7.769 ( -0.000 -3.097 0.000) 3.097 7.850 ( -0.000 -2.630 0.000) 2.630 7.967 ( 0.000 11.129 0.000) 11.129 7.989 ( 0.000 2.684 0.000) 2.684 8.249 ( 0.000 1.875 0.000) 1.875 8.551 ( -0.000 -15.581 0.000) 15.581 8.586 ( 0.000 6.448 0.000) 6.448 8.982 ( -0.000 -1.538 0.000) 1.538 9.391 ( 0.000 0.095 0.000) 0.095 9.771 ( -0.000 -1.364 0.000) 1.364 9.962 ( 0.000 2.512 0.000) 2.512 9.965 ( -0.000 -2.778 0.000) 2.778 10.254 ( -0.000 -6.474 0.000) 6.474 10.532 ( -0.000 -17.370 0.000) 17.370 10.536 ( -0.000 -5.650 0.000) 5.650 10.850 ( -0.000 -20.653 0.000) 20.653 11.224 ( 0.000 2.191 0.000) 2.191 12.961 ( -0.000 -1.850 0.000) 1.850 13.108 ( -0.000 -4.083 0.000) 4.083 13.559 ( -0.000 -2.360 0.000) 2.360 13.669 ( 0.000 0.768 0.000) 0.768 14.010 ( -0.000 -5.581 0.000) 5.581 14.049 ( -0.000 -4.975 0.000) 4.975 14.200 ( 0.000 0.542 0.000) 0.542 14.782 ( 0.000 1.213 0.000) 1.213 15.168 ( -0.000 -0.937 0.000) 0.937 15.575 ( -0.000 -5.717 0.000) 5.717 16.260 ( 0.000 2.310 0.000) 2.310 17.209 ( -0.000 -0.940 0.000) 0.940 17.628 ( -0.000 -1.173 0.000) 1.173 17.978 ( -0.000 -4.667 0.000) 4.667 18.800 ( 0.000 6.736 0.000) 6.736 19.139 ( -0.000 -3.695 0.000) 3.695 19.968 ( 0.000 0.350 0.000) 0.350 20.031 ( 0.000 0.567 0.000) 0.567 25.552 ( -0.000 -7.658 0.000) 7.658 25.632 ( -0.000 -0.548 0.000) 0.548 26.987 ( 0.000 0.021 0.000) 0.021 26.994 ( -0.000 -0.194 0.000) 0.194 27.711 ( -0.000 -1.339 0.000) 1.339 27.905 ( 0.000 2.591 0.000) 2.591 28.410 ( 0.000 10.489 0.000) 10.489 28.736 ( 0.000 9.891 0.000) 9.891 29.051 ( 0.000 9.619 0.000) 9.619 30.546 ( -0.000 -13.346 0.000) 13.346 32.107 ( 0.000 0.609 0.000) 0.609 32.432 ( -0.000 -6.285 0.000) 6.285 ======================= Grid point 61 (35/108) ======================= q-point: (-0.55 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -22.853 0.000 0.000) 22.853 3.315 ( -16.987 0.000 0.000) 16.987 3.522 ( -8.965 0.000 0.000) 8.965 3.896 ( -35.021 0.000 0.000) 35.021 4.453 ( 12.777 -0.000 0.000) 12.777 4.481 ( -3.322 0.000 0.000) 3.322 4.649 ( 1.313 -0.000 0.000) 1.313 4.715 ( -2.522 0.000 0.000) 2.522 4.887 ( -6.381 0.000 0.000) 6.381 5.023 ( -1.522 0.000 0.000) 1.522 5.561 ( -21.092 0.000 0.000) 21.092 5.591 ( -0.116 0.000 0.000) 0.116 5.833 ( 5.381 -0.000 0.000) 5.381 5.993 ( 4.026 -0.000 0.000) 4.026 6.043 ( 14.352 -0.000 0.000) 14.352 6.065 ( -3.477 0.000 0.000) 3.477 6.132 ( -0.258 0.000 0.000) 0.258 6.446 ( -4.659 0.000 0.000) 4.659 6.499 ( -11.987 0.000 0.000) 11.987 6.522 ( -1.600 0.000 0.000) 1.600 6.808 ( 7.062 -0.000 0.000) 7.062 7.030 ( -1.767 0.000 0.000) 1.767 7.188 ( 3.433 -0.000 0.000) 3.433 7.256 ( 1.928 -0.000 0.000) 1.928 7.362 ( 1.752 -0.000 0.000) 1.752 7.688 ( -0.124 0.000 0.000) 0.124 7.883 ( -9.965 0.000 0.000) 9.965 8.183 ( 5.006 -0.000 0.000) 5.006 8.223 ( -4.868 0.000 0.000) 4.868 8.273 ( -6.327 0.000 0.000) 6.327 8.321 ( -3.102 0.000 0.000) 3.102 8.654 ( -6.956 0.000 0.000) 6.956 9.060 ( -9.268 0.000 0.000) 9.268 9.363 ( 3.399 -0.000 0.000) 3.399 9.961 ( -21.828 0.000 0.000) 21.828 10.006 ( -1.159 0.000 0.000) 1.159 10.104 ( -18.357 0.000 0.000) 18.357 10.229 ( -7.194 0.000 0.000) 7.194 10.323 ( -3.728 0.000 0.000) 3.728 10.444 ( -0.955 0.000 0.000) 0.955 10.484 ( -1.140 0.000 0.000) 1.140 11.269 ( -1.533 0.000 0.000) 1.533 12.831 ( 10.672 -0.000 0.000) 10.672 13.053 ( -0.154 0.000 0.000) 0.154 13.333 ( 25.433 -0.000 0.000) 25.433 13.333 ( 16.438 -0.000 0.000) 16.438 13.955 ( -1.787 0.000 0.000) 1.787 14.272 ( -18.978 0.000 0.000) 18.978 14.569 ( -33.786 0.000 0.000) 33.786 14.833 ( -3.603 0.000 0.000) 3.603 15.233 ( -8.426 0.000 0.000) 8.426 15.481 ( 0.649 -0.000 0.000) 0.649 16.302 ( -1.597 0.000 0.000) 1.597 17.199 ( -0.468 0.000 0.000) 0.468 17.567 ( 4.200 -0.000 0.000) 4.200 17.684 ( 23.917 -0.000 0.000) 23.917 18.902 ( 2.561 -0.000 0.000) 2.561 18.998 ( 6.611 -0.000 0.000) 6.611 20.022 ( 1.987 -0.000 0.000) 1.987 20.051 ( -7.188 0.000 0.000) 7.188 25.460 ( -3.070 0.000 0.000) 3.070 25.669 ( -3.044 0.000 0.000) 3.044 26.993 ( 0.536 -0.000 0.000) 0.536 27.047 ( -5.308 0.000 0.000) 5.308 27.789 ( -10.377 0.000 0.000) 10.377 27.935 ( 0.868 -0.000 0.000) 0.868 28.601 ( -8.403 0.000 0.000) 8.403 28.939 ( -3.139 0.000 0.000) 3.139 29.134 ( 5.214 -0.000 0.000) 5.214 30.236 ( 10.801 -0.000 0.000) 10.801 32.103 ( 1.506 -0.000 0.000) 1.506 32.302 ( 4.825 -0.000 0.000) 4.825 ======================= Grid point 63 (36/108) ======================= q-point: (-0.45 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 0.000 12.497 0.000) 12.497 3.091 ( 0.000 15.140 0.000) 15.140 3.351 ( -0.000 -0.984 0.000) 0.984 3.669 ( -0.000 -8.112 0.000) 8.112 4.454 ( 0.000 0.761 0.000) 0.761 4.604 ( -0.000 -4.568 0.000) 4.568 4.609 ( 0.000 10.292 0.000) 10.292 4.755 ( -0.000 -4.894 0.000) 4.894 4.795 ( -0.000 -2.781 0.000) 2.781 5.014 ( 0.000 6.531 0.000) 6.531 5.321 ( 0.000 1.284 0.000) 1.284 5.596 ( -0.000 -1.563 0.000) 1.563 5.918 ( -0.000 -2.656 0.000) 2.656 5.996 ( 0.000 10.425 0.000) 10.425 5.998 ( 0.000 1.521 0.000) 1.521 6.084 ( 0.000 8.783 0.000) 8.783 6.205 ( 0.000 0.038 0.000) 0.038 6.355 ( 0.000 2.503 0.000) 2.503 6.427 ( -0.000 -9.676 0.000) 9.676 6.516 ( 0.000 0.123 0.000) 0.123 6.883 ( 0.000 0.708 0.000) 0.708 6.993 ( 0.000 4.443 0.000) 4.443 7.201 ( 0.000 4.328 0.000) 4.328 7.293 ( -0.000 -3.689 0.000) 3.689 7.367 ( 0.000 1.074 0.000) 1.074 7.729 ( -0.000 -1.197 0.000) 1.197 7.776 ( -0.000 -2.872 0.000) 2.872 8.141 ( 0.000 7.292 0.000) 7.292 8.157 ( 0.000 11.479 0.000) 11.479 8.273 ( 0.000 0.709 0.000) 0.709 8.343 ( -0.000 -7.575 0.000) 7.575 8.588 ( -0.000 -5.756 0.000) 5.756 8.975 ( 0.000 0.810 0.000) 0.810 9.393 ( 0.000 0.065 0.000) 0.065 9.754 ( -0.000 -0.477 0.000) 0.477 9.930 ( -0.000 -1.027 0.000) 1.027 9.992 ( 0.000 0.876 0.000) 0.876 10.172 ( -0.000 -2.487 0.000) 2.487 10.316 ( -0.000 -5.400 0.000) 5.400 10.451 ( -0.000 -3.033 0.000) 3.033 10.535 ( -0.000 -12.169 0.000) 12.169 11.251 ( 0.000 0.833 0.000) 0.833 12.938 ( -0.000 -0.721 0.000) 0.721 13.058 ( -0.000 -1.372 0.000) 1.372 13.537 ( -0.000 -0.459 0.000) 0.459 13.677 ( 0.000 0.202 0.000) 0.202 13.938 ( -0.000 -2.171 0.000) 2.171 13.986 ( -0.000 -1.905 0.000) 1.905 14.206 ( 0.000 0.198 0.000) 0.198 14.797 ( 0.000 0.447 0.000) 0.447 15.159 ( -0.000 -0.152 0.000) 0.152 15.502 ( -0.000 -2.174 0.000) 2.174 16.287 ( 0.000 0.761 0.000) 0.761 17.198 ( -0.000 -0.305 0.000) 0.305 17.609 ( -0.000 -0.671 0.000) 0.671 17.919 ( -0.000 -1.815 0.000) 1.815 18.905 ( 0.000 4.309 0.000) 4.309 19.074 ( -0.000 -3.076 0.000) 3.076 19.973 ( 0.000 0.136 0.000) 0.136 20.038 ( 0.000 0.221 0.000) 0.221 25.446 ( -0.000 -3.160 0.000) 3.160 25.641 ( 0.000 0.440 0.000) 0.440 26.988 ( 0.000 0.065 0.000) 0.065 26.991 ( -0.000 -0.130 0.000) 0.130 27.695 ( -0.000 -0.486 0.000) 0.486 27.938 ( 0.000 1.004 0.000) 1.004 28.522 ( 0.000 2.788 0.000) 2.788 28.893 ( 0.000 5.864 0.000) 5.864 29.166 ( 0.000 3.259 0.000) 3.259 30.362 ( -0.000 -6.156 0.000) 6.156 32.115 ( 0.000 0.240 0.000) 0.240 32.355 ( -0.000 -2.283 0.000) 2.283 ======================= Grid point 125 (37/108) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.000 0.000 41.976) 41.976 1.075 ( 0.000 0.000 45.633) 45.633 2.001 ( 0.000 0.000 88.185) 88.185 2.710 ( 0.000 0.000 -27.071) 27.071 2.802 ( 0.000 0.000 -38.104) 38.104 3.676 ( 0.000 0.000 15.057) 15.057 4.084 ( 0.000 0.000 -3.382) 3.382 4.657 ( 0.000 0.000 4.544) 4.544 4.686 ( 0.000 0.000 3.093) 3.093 4.720 ( 0.000 0.000 23.053) 23.053 4.745 ( 0.000 0.000 0.966) 0.966 5.005 ( 0.000 0.000 -7.971) 7.971 5.470 ( 0.000 0.000 -22.658) 22.658 5.657 ( 0.000 0.000 -55.535) 55.535 5.732 ( 0.000 0.000 12.051) 12.051 6.087 ( 0.000 0.000 1.827) 1.827 6.194 ( 0.000 0.000 -1.904) 1.904 6.428 ( 0.000 0.000 1.928) 1.928 6.538 ( 0.000 0.000 -16.497) 16.497 6.548 ( 0.000 0.000 -1.800) 1.800 6.743 ( 0.000 0.000 9.538) 9.538 6.972 ( 0.000 0.000 0.395) 0.395 7.239 ( 0.000 0.000 0.093) 0.093 7.270 ( 0.000 0.000 -13.854) 13.854 7.337 ( 0.000 0.000 -13.558) 13.558 7.422 ( 0.000 0.000 -4.351) 4.351 7.837 ( 0.000 0.000 11.390) 11.390 8.065 ( 0.000 0.000 0.944) 0.944 8.066 ( 0.000 0.000 8.098) 8.098 8.075 ( 0.000 0.000 1.754) 1.754 8.586 ( 0.000 0.000 25.318) 25.318 8.818 ( 0.000 0.000 -2.016) 2.016 9.572 ( 0.000 0.000 12.125) 12.125 9.803 ( 0.000 0.000 6.828) 6.828 10.077 ( 0.000 0.000 16.068) 16.068 10.251 ( 0.000 0.000 7.791) 7.791 10.513 ( 0.000 0.000 -6.994) 6.994 10.602 ( 0.000 0.000 -5.660) 5.660 10.854 ( 0.000 0.000 7.333) 7.333 10.911 ( 0.000 0.000 -17.783) 17.783 10.917 ( 0.000 0.000 -13.549) 13.549 11.168 ( 0.000 0.000 -3.936) 3.936 13.150 ( 0.000 0.000 5.181) 5.181 13.284 ( 0.000 0.000 4.110) 4.110 13.591 ( 0.000 0.000 -2.389) 2.389 13.785 ( 0.000 0.000 -6.188) 6.188 14.228 ( 0.000 0.000 4.953) 4.953 14.344 ( 0.000 0.000 -0.746) 0.746 14.387 ( 0.000 0.000 2.385) 2.385 14.639 ( 0.000 0.000 -5.004) 5.004 15.464 ( 0.000 0.000 6.838) 6.838 15.843 ( 0.000 0.000 -6.907) 6.907 17.317 ( 0.000 0.000 3.153) 3.153 17.507 ( 0.000 0.000 -3.491) 3.491 18.133 ( 0.000 0.000 1.800) 1.800 18.240 ( 0.000 0.000 -1.772) 1.772 18.542 ( 0.000 0.000 4.674) 4.674 18.748 ( 0.000 0.000 -2.877) 2.877 19.955 ( 0.000 0.000 0.598) 0.598 19.990 ( 0.000 0.000 -0.621) 0.621 26.570 ( 0.000 0.000 1.111) 1.111 26.636 ( 0.000 0.000 -1.240) 1.240 26.991 ( 0.000 0.000 0.182) 0.182 27.002 ( 0.000 0.000 -0.179) 0.179 27.371 ( 0.000 0.000 1.917) 1.917 27.454 ( 0.000 0.000 -0.903) 0.903 27.957 ( 0.000 0.000 -0.053) 0.053 27.988 ( 0.000 0.000 -1.044) 1.044 28.947 ( 0.000 0.000 2.026) 2.026 29.061 ( 0.000 0.000 -1.975) 1.975 32.924 ( 0.000 0.000 1.844) 1.844 33.026 ( 0.000 0.000 -1.746) 1.746 ======================= Grid point 126 (38/108) ======================= q-point: ( 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 20.487 -30.782 30.489) 47.925 1.465 ( 29.257 -8.963 36.104) 47.326 2.530 ( 48.122 -10.001 61.935) 79.067 2.891 ( 12.106 -3.824 -25.672) 28.640 2.969 ( 14.927 -12.841 -29.295) 35.297 3.875 ( 18.384 -1.639 10.063) 21.022 4.184 ( 9.197 -3.085 -2.581) 10.038 4.686 ( 1.440 -0.146 3.211) 3.522 4.723 ( 5.846 2.956 10.419) 12.307 4.758 ( 10.205 -0.033 6.924) 12.332 4.794 ( 4.236 -3.818 7.625) 9.522 5.202 ( 14.566 5.525 -9.983) 18.503 5.487 ( -4.798 -4.625 -10.016) 12.031 5.680 ( 4.056 -4.244 -53.014) 53.338 6.032 ( -3.128 -1.071 0.613) 3.362 6.109 ( 17.968 -1.134 -10.413) 20.798 6.177 ( -2.112 -1.249 -5.764) 6.265 6.409 ( -1.220 -1.224 0.791) 1.901 6.561 ( 3.195 3.254 -10.058) 11.044 6.684 ( 8.727 -1.430 -10.248) 13.536 6.752 ( 1.387 -1.073 9.592) 9.750 6.919 ( -5.796 -1.365 -0.523) 5.978 7.210 ( 1.403 6.764 -6.985) 9.824 7.293 ( 3.793 -2.516 -7.706) 8.950 7.414 ( 6.932 -2.747 -15.615) 17.304 7.430 ( 2.832 1.186 -5.597) 6.384 7.880 ( 2.085 -2.241 10.198) 10.648 8.028 ( 2.285 2.958 6.879) 7.829 8.188 ( 13.228 0.711 1.426) 13.324 8.274 ( 16.706 0.246 -1.415) 16.767 8.600 ( 3.620 3.220 22.402) 22.920 8.800 ( -1.144 -0.218 -2.803) 3.035 9.285 ( -21.280 0.988 10.880) 23.920 9.820 ( -1.039 -1.843 4.958) 5.391 10.078 ( -28.307 14.730 9.097) 33.182 10.302 ( 12.110 -0.925 1.435) 12.230 10.374 ( 7.568 -4.151 4.185) 9.592 10.623 ( 7.069 3.610 -2.841) 8.431 10.671 ( 14.577 -0.772 3.338) 14.974 10.885 ( 2.163 -1.372 4.419) 5.107 11.103 ( 0.900 -0.624 -3.660) 3.820 11.375 ( 6.485 -5.962 3.936) 9.648 13.055 ( -10.320 0.133 4.327) 11.191 13.213 ( -4.925 2.337 2.838) 6.146 13.331 ( -18.657 -0.208 -1.622) 18.728 13.665 ( -9.851 3.370 -7.805) 13.012 14.319 ( -3.457 1.525 2.750) 4.673 14.441 ( 5.377 1.024 -1.836) 5.774 14.718 ( 8.197 -0.087 -3.732) 9.007 14.862 ( 42.440 3.652 -28.008) 50.979 15.573 ( 12.628 1.701 5.748) 13.979 15.898 ( 7.298 1.611 -5.937) 9.544 17.271 ( -2.206 7.923 5.342) 9.807 17.473 ( -1.400 5.069 -3.208) 6.160 17.634 ( -23.144 17.192 17.251) 33.598 17.942 ( -29.950 0.292 -1.932) 30.013 18.527 ( -0.166 2.429 5.048) 5.604 18.815 ( -3.497 -11.787 -7.484) 14.394 20.051 ( 3.867 1.670 2.091) 4.702 20.067 ( 8.002 -0.091 0.811) 8.043 25.994 ( -16.538 10.073 22.794) 29.909 26.543 ( -3.580 8.751 -6.692) 11.584 26.954 ( -3.186 1.012 5.989) 6.859 27.260 ( 7.238 11.833 -6.315) 15.241 27.583 ( 10.028 -6.715 0.551) 12.081 27.663 ( 10.945 -8.120 -4.871) 14.472 27.949 ( -0.007 -1.740 0.897) 1.958 28.025 ( 3.351 -5.005 -2.350) 6.466 28.999 ( 21.564 16.527 6.995) 28.055 29.619 ( 19.197 -37.084 -30.795) 51.885 32.651 ( -24.327 8.569 15.566) 30.125 32.795 ( -12.350 2.965 0.710) 12.721 ======================= Grid point 127 (39/108) ======================= q-point: ( 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 28.706 -23.646 20.884) 42.653 2.135 ( 29.569 -24.210 20.758) 43.489 3.129 ( 11.989 -8.455 -17.598) 22.911 3.360 ( 19.797 -14.383 -19.968) 31.583 3.645 ( 49.076 -13.907 29.298) 58.824 4.161 ( 10.657 -1.526 3.424) 11.297 4.424 ( 14.868 -0.061 -0.432) 14.874 4.733 ( 2.650 -1.803 0.712) 3.284 4.780 ( 5.798 3.449 5.619) 8.780 4.925 ( 6.000 -1.767 8.548) 10.592 5.086 ( 12.214 -4.215 4.906) 13.821 5.328 ( 13.135 9.714 -3.997) 16.818 5.471 ( 4.930 1.948 -18.481) 19.226 5.863 ( 4.751 -8.822 -16.041) 18.913 5.955 ( -5.399 -3.314 2.268) 6.729 6.132 ( -2.297 -4.070 -10.889) 11.849 6.256 ( 1.551 5.312 -3.279) 6.433 6.436 ( 1.561 -2.840 0.165) 3.245 6.609 ( 5.288 -0.744 -8.572) 10.099 6.681 ( -2.564 3.809 -2.636) 5.294 6.831 ( -2.858 -0.784 0.110) 2.966 6.861 ( 5.643 -1.224 5.100) 7.704 7.205 ( 4.746 6.255 -9.189) 12.087 7.395 ( 3.873 0.337 -11.857) 12.478 7.498 ( 8.086 4.497 -7.428) 11.865 7.655 ( 11.903 -9.107 -17.583) 23.104 7.902 ( 1.097 2.169 12.281) 12.520 8.086 ( 7.030 3.476 9.950) 12.669 8.521 ( 23.051 1.360 -0.686) 23.102 8.580 ( 16.163 2.295 1.921) 16.438 8.698 ( 13.268 2.250 10.244) 16.913 8.834 ( 7.819 0.447 -5.752) 9.717 8.946 ( -13.521 2.383 6.035) 14.997 9.507 ( -18.207 7.080 2.044) 19.642 9.940 ( 3.529 -3.383 11.286) 12.299 10.468 ( 6.059 -2.996 -9.010) 11.264 10.606 ( 12.871 -4.176 -2.536) 13.767 10.707 ( 7.205 3.843 -3.231) 8.782 10.893 ( 6.632 1.035 3.507) 7.573 11.062 ( 11.411 4.619 2.196) 12.505 11.182 ( 15.342 -0.592 12.368) 19.715 11.480 ( 3.211 -2.082 13.711) 14.235 12.809 ( -16.495 0.800 2.966) 16.778 12.943 ( -22.086 0.159 -1.845) 22.164 13.132 ( -4.947 2.813 3.154) 6.506 13.450 ( -8.543 6.347 -8.115) 13.384 14.189 ( -9.365 1.789 5.791) 11.155 14.468 ( -3.362 0.915 -4.946) 6.050 14.872 ( 8.227 0.371 -0.026) 8.235 15.360 ( 19.819 3.922 -27.830) 34.390 15.845 ( 19.766 3.338 3.884) 20.419 16.086 ( 17.258 4.319 -5.749) 18.696 17.064 ( -5.664 15.375 10.704) 19.572 17.290 ( -27.930 3.371 -1.941) 28.200 17.319 ( -11.331 -1.710 3.145) 11.883 17.437 ( -8.453 0.997 -1.242) 8.602 18.502 ( 0.836 3.719 5.947) 7.064 18.839 ( -1.228 -4.618 -7.235) 8.670 20.012 ( -5.656 1.585 6.784) 8.974 20.167 ( 1.304 0.256 -0.719) 1.511 25.832 ( 0.730 3.160 15.128) 15.472 26.415 ( -1.334 9.263 -9.975) 13.678 26.863 ( -5.254 2.822 8.311) 10.230 27.185 ( -5.321 6.696 -4.950) 9.881 27.759 ( 5.360 -1.172 1.350) 5.650 27.810 ( 3.788 -3.137 -0.268) 4.926 28.072 ( 6.023 -12.446 1.565) 13.915 28.166 ( 2.061 -12.200 -1.888) 12.516 29.346 ( 28.219 6.846 8.419) 30.233 30.134 ( 17.609 -8.363 -26.465) 32.869 32.244 ( -15.998 3.710 12.895) 20.880 32.482 ( -18.583 3.573 -0.766) 18.939 ======================= Grid point 128 (40/108) ======================= q-point: ( 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 30.288 -18.385 10.916) 37.075 2.884 ( 27.605 -28.843 10.849) 41.373 3.423 ( 13.094 -8.364 -8.620) 17.769 3.775 ( 15.044 -8.967 -23.866) 29.602 4.280 ( 8.270 -3.604 6.049) 10.862 4.461 ( 17.420 -11.708 4.069) 21.380 4.636 ( 13.160 9.539 2.333) 16.420 4.816 ( 4.276 -2.427 -1.586) 5.166 4.887 ( 9.234 1.990 9.438) 13.353 4.978 ( -0.485 1.739 3.476) 3.917 5.092 ( -0.780 1.736 1.459) 2.398 5.548 ( 4.546 1.541 -12.586) 13.471 5.629 ( 15.883 1.012 3.537) 16.304 5.798 ( -10.608 -0.348 2.034) 10.807 5.970 ( -2.294 -4.767 0.050) 5.291 6.170 ( 0.287 -2.723 -7.904) 8.365 6.215 ( 1.371 1.052 3.896) 4.262 6.480 ( 0.934 -2.028 -0.711) 2.343 6.592 ( -3.182 3.454 -4.263) 6.343 6.795 ( 8.362 -7.133 2.710) 11.320 6.860 ( 4.413 -5.469 -4.078) 8.125 6.962 ( 5.430 2.255 7.582) 9.594 7.268 ( 5.216 1.532 -6.636) 8.578 7.411 ( 0.432 2.714 -12.821) 13.112 7.632 ( 12.833 5.743 -9.999) 17.253 7.837 ( 0.432 -7.852 4.898) 9.265 8.027 ( 13.095 -1.416 -3.015) 13.512 8.176 ( 6.363 3.128 8.809) 11.308 8.602 ( -2.922 3.910 6.320) 7.986 8.761 ( -0.761 -1.318 -3.719) 4.019 8.805 ( 7.693 9.040 -3.140) 12.279 9.188 ( -10.964 4.155 0.647) 11.742 9.200 ( 41.118 -0.601 0.983) 41.134 9.286 ( 37.096 2.252 -4.810) 37.474 10.055 ( 5.520 -4.044 11.181) 13.109 10.592 ( 5.166 -2.847 -9.574) 11.245 10.768 ( 3.270 2.058 -2.012) 4.356 10.831 ( 7.084 -1.986 -4.098) 8.422 11.077 ( 16.682 2.247 -0.153) 16.834 11.130 ( 5.602 3.312 -1.601) 6.702 11.496 ( 11.048 2.476 13.399) 17.542 11.591 ( 13.694 1.674 13.092) 19.019 12.483 ( -19.189 0.961 2.444) 19.368 12.544 ( -22.645 -0.271 1.049) 22.671 13.019 ( -3.954 4.409 2.920) 6.603 13.270 ( -5.431 6.622 -7.198) 11.187 13.959 ( -15.460 1.383 7.180) 17.102 14.266 ( -18.706 0.594 -4.416) 19.230 14.992 ( 6.156 0.094 3.648) 7.156 15.602 ( 12.633 1.235 -19.215) 23.029 16.178 ( 21.816 5.177 3.152) 22.643 16.392 ( 21.276 6.584 -7.396) 23.468 16.682 ( -32.408 0.364 3.868) 32.641 16.883 ( -5.289 5.966 -0.337) 7.980 17.208 ( -6.214 -1.974 2.203) 6.882 17.370 ( -1.800 0.315 -3.238) 3.718 18.509 ( 5.632 6.053 7.189) 10.957 18.877 ( 4.063 0.601 -6.462) 7.657 19.837 ( -13.172 0.091 7.663) 15.239 20.093 ( -9.485 -0.278 -2.436) 9.797 25.886 ( 6.319 0.570 9.029) 11.035 26.335 ( 0.757 7.782 -9.081) 11.983 26.724 ( -7.584 2.410 7.192) 10.727 26.981 ( -11.257 4.953 -3.514) 12.791 27.854 ( 4.671 -1.662 1.599) 5.210 27.905 ( 4.031 -3.190 0.106) 5.142 28.273 ( 0.503 -16.570 0.074) 16.577 28.284 ( -0.715 -11.468 -0.473) 11.500 29.830 ( 32.576 6.094 8.361) 34.180 30.463 ( 20.405 6.064 -15.574) 26.376 31.978 ( -13.396 0.559 5.490) 14.488 32.111 ( -20.231 2.153 -0.653) 20.356 ======================= Grid point 129 (41/108) ======================= q-point: ( 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 25.065 -18.723 2.791) 31.410 3.586 ( 24.985 -23.684 4.527) 34.723 3.731 ( 13.040 -8.421 -2.107) 15.665 4.026 ( 10.666 3.303 -15.221) 18.877 4.410 ( 3.144 -3.675 -0.280) 4.844 4.605 ( -1.512 -1.196 -5.481) 5.811 4.685 ( -0.262 5.244 -1.936) 5.596 4.861 ( 0.606 0.970 -1.743) 2.085 4.933 ( -1.799 4.568 1.127) 5.037 5.022 ( 6.536 2.948 11.487) 13.541 5.154 ( 7.052 -1.256 5.181) 8.841 5.503 ( -10.406 6.324 4.065) 12.838 5.626 ( -2.651 1.275 -4.363) 5.262 5.778 ( -3.069 -2.290 -3.262) 5.030 5.927 ( 0.811 -1.269 -4.438) 4.686 6.152 ( -3.087 -1.568 -7.645) 8.392 6.373 ( 5.264 -2.410 8.516) 10.298 6.508 ( -1.186 4.123 -1.788) 4.648 6.593 ( 9.674 -12.334 3.654) 16.096 6.947 ( 5.809 -0.960 5.918) 8.348 6.964 ( 3.407 -0.169 3.332) 4.769 7.074 ( 4.917 -4.201 6.356) 9.068 7.275 ( 0.012 6.544 -5.974) 8.860 7.411 ( -1.357 -1.725 -4.466) 4.976 7.854 ( 15.393 1.702 -9.739) 18.294 7.932 ( 2.240 -9.598 7.346) 12.292 8.193 ( 1.686 -2.855 10.465) 10.978 8.292 ( 8.057 -0.967 -5.628) 9.876 8.544 ( 3.409 5.699 -3.389) 7.456 8.742 ( -3.251 -0.883 -5.224) 6.216 8.846 ( 5.223 11.006 -4.918) 13.138 8.944 ( -9.783 4.924 -2.346) 11.201 9.969 ( 34.629 -2.199 0.902) 34.711 10.025 ( 45.565 -2.290 -1.234) 45.639 10.211 ( 9.763 -2.740 10.598) 14.668 10.697 ( 4.563 -1.140 -7.963) 9.248 10.790 ( 5.363 5.138 1.303) 7.540 10.939 ( 4.400 -1.057 -3.422) 5.674 11.226 ( 9.765 3.600 1.560) 10.524 11.338 ( 9.852 1.857 -0.466) 10.036 11.635 ( 10.971 -1.324 3.778) 11.678 11.786 ( 5.165 6.181 0.823) 8.097 12.149 ( -19.277 -1.074 3.852) 19.687 12.175 ( -15.480 -0.441 3.788) 15.943 12.942 ( 1.194 5.395 1.895) 5.842 13.137 ( -3.430 5.481 -5.820) 8.699 13.621 ( -21.549 0.447 5.951) 22.360 13.840 ( -28.024 -0.427 -2.838) 28.170 15.114 ( 8.159 -0.948 8.615) 11.904 15.780 ( 5.066 0.915 -10.558) 11.746 16.201 ( -17.969 -1.085 5.279) 18.759 16.506 ( 19.992 6.692 2.846) 21.273 16.611 ( 2.302 5.913 -8.772) 10.826 16.812 ( 9.308 4.303 -6.072) 11.918 17.125 ( -7.034 -4.487 3.066) 8.889 17.332 ( -5.680 -4.765 -4.898) 8.885 18.617 ( 14.312 8.294 7.853) 18.311 18.990 ( 11.438 3.918 -5.858) 13.434 19.557 ( -19.289 -2.137 7.442) 20.785 19.858 ( -17.514 -1.680 -3.644) 17.968 26.026 ( 9.240 -0.674 4.976) 10.516 26.305 ( 2.756 5.790 -6.111) 8.858 26.566 ( -8.498 0.580 4.639) 9.699 26.723 ( -13.275 3.625 -1.949) 13.899 27.951 ( 4.747 -1.031 1.602) 5.115 27.998 ( 3.298 -2.395 0.260) 4.084 28.342 ( -1.138 -6.398 -0.209) 6.502 28.376 ( -4.869 -15.367 -1.086) 16.156 30.357 ( 32.874 5.950 6.511) 34.036 30.777 ( 23.699 9.811 -8.591) 27.050 31.720 ( -19.158 -0.651 1.215) 19.208 31.745 ( -18.659 -1.199 0.357) 18.701 ======================= Grid point 130 (42/108) ======================= q-point: ( 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( 13.041 -18.005 -3.716) 22.540 4.007 ( 10.376 -5.889 0.392) 11.938 4.084 ( 6.117 9.627 -5.122) 12.503 4.125 ( 9.224 -10.909 1.028) 14.323 4.408 ( -0.165 5.486 -3.853) 6.706 4.531 ( -6.214 -0.572 -2.402) 6.687 4.653 ( 1.799 0.337 -6.126) 6.393 4.772 ( -6.449 5.433 -5.706) 10.182 4.940 ( 3.609 -4.134 5.306) 7.633 5.060 ( -2.450 1.087 9.421) 9.795 5.235 ( -0.146 3.395 7.286) 8.040 5.263 ( -3.289 5.261 10.733) 12.397 5.592 ( -1.553 -5.036 -3.757) 6.472 5.673 ( -3.065 6.688 -5.077) 8.938 6.017 ( 3.107 -5.008 -9.717) 11.365 6.101 ( -3.434 0.683 -9.753) 10.362 6.414 ( 1.155 -0.939 0.192) 1.501 6.453 ( -1.718 1.972 -1.664) 3.099 6.922 ( 7.564 -10.913 6.980) 15.001 6.978 ( 1.873 -0.902 -0.879) 2.258 7.095 ( 4.108 2.105 8.635) 9.791 7.132 ( 4.574 -1.190 10.009) 11.069 7.225 ( 0.570 4.982 3.071) 5.880 7.327 ( -8.383 0.463 2.466) 8.750 8.072 ( 3.792 -7.651 5.096) 9.944 8.109 ( 10.479 -1.403 -6.425) 12.371 8.203 ( 2.545 2.438 5.463) 6.501 8.355 ( -5.362 -1.306 -5.606) 7.867 8.603 ( 5.215 2.756 -5.652) 8.169 8.660 ( -5.777 -3.478 -4.145) 7.915 8.777 ( 0.747 5.748 -5.262) 7.829 8.823 ( -1.924 5.117 -5.015) 7.418 10.307 ( 6.563 -5.393 9.364) 12.642 10.396 ( 3.091 2.783 7.543) 8.614 10.681 ( 15.722 -5.456 -4.561) 17.256 10.763 ( 2.565 1.344 -6.158) 6.805 11.019 ( 25.905 3.093 0.653) 26.097 11.101 ( 19.434 3.384 -2.113) 19.839 11.349 ( -5.626 1.066 3.399) 6.659 11.398 ( 10.654 1.501 3.061) 11.186 11.556 ( -19.920 2.048 0.916) 20.046 11.715 ( -19.035 -2.246 0.510) 19.174 11.966 ( 9.885 -2.799 -2.749) 10.635 12.105 ( -0.620 2.048 -2.843) 3.559 13.006 ( 11.794 4.549 0.131) 12.641 13.086 ( 4.727 4.337 -2.643) 6.939 13.247 ( -18.985 -1.915 2.850) 19.293 13.357 ( -25.826 -2.220 -1.403) 25.959 15.314 ( 13.353 -1.860 12.822) 18.606 15.606 ( -16.749 2.221 10.956) 20.137 16.209 ( 10.078 -2.880 -10.026) 14.505 16.434 ( -11.123 3.216 -10.896) 15.900 16.792 ( 17.426 7.236 2.890) 19.089 16.973 ( -4.074 -2.439 -0.597) 4.786 17.067 ( 8.371 3.242 -2.784) 9.399 17.234 ( -11.961 -7.704 -5.706) 15.329 18.864 ( 21.277 7.629 7.297) 23.752 19.171 ( -4.881 0.013 -0.105) 4.882 19.257 ( 0.368 -0.325 2.161) 2.216 19.538 ( -20.560 -3.366 -4.220) 21.257 26.217 ( 11.323 -1.249 1.952) 11.558 26.330 ( 4.003 2.697 -2.530) 5.450 26.427 ( -6.862 -0.149 1.587) 7.045 26.466 ( -12.298 1.761 -0.208) 12.425 28.027 ( 3.447 0.698 1.420) 3.793 28.049 ( -0.014 -1.776 0.859) 1.973 28.370 ( 2.373 1.925 -0.798) 3.158 28.391 ( -5.779 -10.116 -1.345) 11.728 30.866 ( 29.924 4.474 4.299) 30.561 31.117 ( 23.527 7.965 -4.588) 25.259 31.323 ( -25.546 -2.263 2.387) 25.757 31.448 ( -20.205 -4.715 -1.940) 20.838 ======================= Grid point 137 (43/108) ======================= q-point: ( 0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 32.251 -0.000 25.802) 41.302 1.996 ( 34.022 -0.000 27.558) 43.783 3.067 ( 16.819 -0.000 -25.288) 30.371 3.213 ( 18.163 -0.000 -15.988) 24.197 3.512 ( 52.773 -0.000 30.404) 60.905 4.152 ( 10.846 -0.000 0.113) 10.846 4.427 ( 19.442 -0.000 3.730) 19.797 4.719 ( 2.815 -0.000 2.833) 3.993 4.812 ( 2.955 -0.000 -0.378) 2.979 4.912 ( 10.037 -0.000 13.540) 16.854 5.046 ( 13.348 -0.000 6.162) 14.702 5.456 ( 7.098 -0.000 -11.114) 13.187 5.495 ( 12.953 -0.000 -8.991) 15.768 5.747 ( 7.122 -0.000 -28.924) 29.788 5.925 ( -6.469 0.000 2.535) 6.948 6.092 ( -4.984 0.000 -10.201) 11.353 6.343 ( 7.284 -0.000 -5.573) 9.172 6.365 ( -3.246 0.000 0.307) 3.260 6.645 ( 2.886 -0.000 -7.567) 8.098 6.720 ( -3.119 0.000 -4.931) 5.835 6.817 ( -3.906 0.000 2.431) 4.601 6.831 ( 5.132 -0.000 5.343) 7.409 7.285 ( 1.121 -0.000 -19.266) 19.299 7.369 ( 6.624 -0.000 -2.649) 7.134 7.522 ( 8.566 -0.000 -15.197) 17.445 7.564 ( 12.748 -0.000 -12.762) 18.039 7.935 ( 3.349 -0.000 12.618) 13.054 8.118 ( 5.459 -0.000 12.191) 13.358 8.531 ( 24.805 -0.000 -1.525) 24.852 8.617 ( 16.279 -0.000 -5.121) 17.065 8.711 ( 6.946 -0.000 23.857) 24.848 8.826 ( 10.385 -0.000 -4.549) 11.338 8.979 ( -11.478 0.000 2.184) 11.684 9.578 ( -20.742 0.000 -1.137) 20.773 9.912 ( 2.639 -0.000 10.866) 11.181 10.432 ( 5.568 -0.000 -9.718) 11.201 10.556 ( 13.300 -0.000 2.579) 13.548 10.746 ( 6.143 -0.000 -3.249) 6.950 10.899 ( 7.599 -0.000 4.691) 8.930 11.118 ( 1.704 -0.000 -3.347) 3.756 11.163 ( 26.798 -0.000 18.261) 32.428 11.452 ( 4.278 -0.000 15.667) 16.241 12.816 ( -16.291 0.000 2.228) 16.443 12.941 ( -22.583 0.000 -1.998) 22.671 13.161 ( -4.558 0.000 3.466) 5.726 13.511 ( -8.880 0.000 -8.694) 12.428 14.206 ( -9.852 0.000 5.645) 11.354 14.476 ( -3.673 0.000 -4.975) 6.184 14.876 ( 8.328 -0.000 0.245) 8.331 15.396 ( 17.480 -0.000 -28.698) 33.603 15.875 ( 19.913 -0.000 4.346) 20.382 16.123 ( 17.482 -0.000 -5.773) 18.411 17.249 ( -19.747 0.000 3.160) 19.998 17.256 ( -4.814 0.000 2.483) 5.416 17.323 ( -36.069 0.000 -0.292) 36.070 17.469 ( -4.381 0.000 -4.930) 6.596 18.589 ( 3.976 -0.000 3.062) 5.018 18.752 ( 1.689 -0.000 -2.445) 2.971 20.031 ( -6.381 0.000 7.336) 9.723 20.169 ( 1.221 -0.000 -0.536) 1.334 25.867 ( -2.174 0.000 17.529) 17.664 26.483 ( -6.013 0.000 -10.250) 11.884 26.924 ( -1.822 0.000 8.783) 8.970 27.263 ( -7.745 0.000 -5.276) 9.371 27.758 ( 3.063 -0.000 0.491) 3.102 27.779 ( 10.380 -0.000 -0.111) 10.381 27.917 ( -0.297 0.000 2.832) 2.848 28.050 ( 3.645 -0.000 -2.246) 4.281 29.433 ( 23.071 -0.000 4.333) 23.475 30.024 ( 32.917 -0.000 -25.184) 41.445 32.281 ( -18.997 0.000 14.065) 23.637 32.515 ( -19.687 0.000 -0.498) 19.694 ======================= Grid point 138 (44/108) ======================= q-point: ( 0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 31.732 -16.332 18.475) 40.187 2.626 ( 34.171 -5.289 17.179) 38.610 3.367 ( 17.837 1.366 -17.237) 24.842 3.598 ( 20.299 -8.620 -16.370) 27.465 4.246 ( 21.568 -1.884 2.389) 21.781 4.305 ( 11.037 -3.777 0.500) 11.676 4.770 ( 8.799 2.870 3.175) 9.785 4.810 ( 9.716 3.097 3.611) 10.818 4.870 ( 9.461 -2.276 7.688) 12.401 5.055 ( 2.929 4.294 6.260) 8.136 5.107 ( 4.886 -0.777 5.374) 7.305 5.595 ( 3.565 2.647 -16.175) 16.773 5.671 ( 9.912 1.923 -3.744) 10.768 5.802 ( -5.796 1.777 1.023) 6.148 5.870 ( -2.205 -4.964 -1.045) 5.531 6.128 ( 9.191 -1.758 -11.019) 14.456 6.269 ( -4.437 3.139 0.126) 5.437 6.426 ( -0.111 -2.714 -0.650) 2.793 6.633 ( -4.957 0.300 -5.766) 7.609 6.693 ( 4.680 -1.762 -2.338) 5.520 6.811 ( 2.635 -1.263 3.680) 4.699 6.938 ( 5.722 -2.895 10.471) 12.278 7.275 ( -0.582 -0.305 -14.378) 14.393 7.447 ( 1.903 1.075 -5.974) 6.361 7.694 ( 8.034 -1.971 -3.954) 9.168 7.791 ( 10.391 4.490 -11.111) 15.861 8.009 ( 7.652 -1.593 -0.692) 7.847 8.209 ( 4.940 1.075 14.848) 15.685 8.653 ( -3.306 2.174 8.661) 9.522 8.730 ( 0.521 -1.801 -5.137) 5.468 8.939 ( 9.519 4.426 -2.255) 10.737 9.187 ( 39.939 -0.317 3.576) 40.100 9.230 ( 2.516 0.803 4.629) 5.329 9.340 ( 21.343 2.310 -11.234) 24.229 10.001 ( 5.948 -1.684 10.148) 11.882 10.534 ( 4.830 -2.450 -10.168) 11.521 10.752 ( 6.881 -1.748 -0.922) 7.159 10.835 ( 4.555 0.945 -1.670) 4.942 11.102 ( 16.383 0.629 1.526) 16.466 11.172 ( 5.309 1.240 -1.432) 5.636 11.512 ( 3.316 -0.067 16.753) 17.078 11.614 ( 22.352 0.848 12.782) 25.763 12.497 ( -19.525 0.629 1.030) 19.562 12.533 ( -23.645 -0.676 0.692) 23.665 13.080 ( -3.434 1.950 3.014) 4.968 13.363 ( -6.394 3.071 -8.034) 10.717 13.977 ( -15.967 0.591 7.051) 17.465 14.274 ( -19.168 0.259 -4.310) 19.649 14.995 ( 5.678 0.134 3.877) 6.877 15.618 ( 11.146 0.472 -19.034) 22.063 16.242 ( 22.020 1.881 3.516) 22.378 16.469 ( 21.241 2.129 -6.927) 22.443 16.683 ( -33.504 -0.109 4.070) 33.750 16.958 ( -11.925 2.169 -4.916) 13.080 17.183 ( -6.203 -0.718 2.462) 6.712 17.375 ( -6.101 0.163 -5.305) 8.086 18.657 ( 9.138 8.407 3.477) 12.895 18.848 ( 6.520 -3.610 -3.497) 8.233 19.844 ( -14.225 0.466 8.482) 16.569 20.089 ( -10.174 -0.163 -2.164) 10.403 25.894 ( 4.662 0.260 11.109) 12.050 26.373 ( -6.373 -0.689 -7.951) 10.214 26.854 ( -2.510 7.483 5.360) 9.541 27.063 ( -12.487 3.241 -2.911) 13.225 27.808 ( 0.920 -5.220 1.853) 5.615 27.863 ( 4.067 2.641 0.677) 4.896 28.014 ( 2.263 -11.367 1.520) 11.690 28.151 ( 5.549 -3.221 -2.716) 6.967 29.910 ( 31.338 2.521 7.699) 32.368 30.532 ( 25.578 1.851 -16.668) 30.585 31.987 ( -15.258 0.375 6.712) 16.674 32.139 ( -21.989 0.868 -0.688) 22.017 ======================= Grid point 139 (45/108) ======================= q-point: ( 0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 26.253 -19.953 10.842) 34.712 3.264 ( 29.111 -11.681 11.031) 33.250 3.670 ( 18.022 1.475 -7.550) 19.595 4.012 ( 18.419 -4.426 -17.879) 26.048 4.401 ( 7.509 1.413 2.166) 7.941 4.546 ( 3.340 -3.975 -4.960) 7.180 4.747 ( -4.245 2.198 -0.697) 4.831 4.908 ( 2.639 1.827 -0.720) 3.290 4.984 ( 3.012 3.220 6.581) 7.921 5.080 ( 4.152 0.472 9.584) 10.455 5.233 ( 7.229 9.286 -2.741) 12.083 5.586 ( -4.528 2.603 -0.979) 5.314 5.683 ( -0.129 4.028 -6.465) 7.618 5.721 ( -2.420 -2.082 -4.746) 5.720 5.923 ( 1.422 -0.718 -1.844) 2.436 6.164 ( -3.946 3.480 -6.539) 8.393 6.303 ( 10.763 -4.714 9.471) 15.092 6.413 ( -4.398 -6.682 -4.293) 9.078 6.558 ( -2.752 1.090 -4.151) 5.098 6.869 ( 6.994 -8.343 4.548) 11.798 6.910 ( 6.553 -1.693 6.267) 9.224 7.050 ( 4.459 -0.359 9.152) 10.186 7.300 ( 0.433 -5.139 -9.568) 10.869 7.429 ( -0.637 4.204 -5.058) 6.608 7.780 ( -0.612 -6.601 12.892) 14.497 7.914 ( 11.326 6.504 -10.537) 16.782 8.171 ( 5.083 -1.003 -1.053) 5.287 8.276 ( 4.219 -1.008 5.615) 7.095 8.620 ( 2.891 2.617 -2.141) 4.449 8.723 ( -3.466 -0.436 -5.339) 6.380 9.040 ( -3.952 5.930 -4.311) 8.329 9.045 ( 3.877 8.111 0.034) 8.990 9.931 ( 30.762 -1.482 0.593) 30.804 9.977 ( 38.849 -2.987 -0.907) 38.975 10.169 ( 14.456 -1.656 8.466) 16.834 10.641 ( 3.891 -4.050 -8.669) 10.329 10.854 ( 6.832 1.771 -0.550) 7.079 10.921 ( 6.929 -0.448 -1.233) 7.052 11.279 ( 8.419 2.145 1.494) 8.816 11.385 ( 12.749 3.309 0.377) 13.177 11.585 ( 6.523 -3.808 9.277) 11.963 11.888 ( 5.779 4.903 0.144) 7.580 12.123 ( -22.334 -1.680 3.244) 22.630 12.165 ( -14.684 -0.556 2.990) 14.996 13.026 ( 0.918 3.592 1.796) 4.120 13.229 ( -5.102 4.249 -6.906) 9.580 13.634 ( -21.777 0.861 6.310) 22.689 13.835 ( -29.154 -0.195 -2.278) 29.243 15.103 ( 7.541 -0.346 8.524) 11.387 15.806 ( 9.196 1.661 -13.175) 16.153 16.168 ( -23.087 -2.147 7.868) 24.485 16.603 ( 20.412 3.973 3.403) 21.072 16.683 ( -4.633 2.314 -10.526) 11.731 16.880 ( 14.444 3.031 -5.346) 15.697 17.060 ( -9.241 -2.678 2.443) 9.927 17.253 ( -9.601 -3.640 -5.633) 11.711 18.789 ( 15.383 9.968 4.591) 18.897 19.032 ( 12.716 0.359 -4.154) 13.382 19.535 ( -20.575 -0.452 8.071) 22.106 19.834 ( -18.670 -1.023 -3.465) 19.017 26.009 ( 7.707 -0.984 6.002) 9.818 26.279 ( -6.751 -4.185 -4.011) 8.898 26.724 ( -1.720 11.780 1.621) 12.015 26.795 ( -13.741 3.884 -0.976) 14.313 27.882 ( 0.308 -8.204 1.278) 8.309 27.927 ( 2.823 -2.487 0.617) 3.812 28.143 ( 2.000 -9.507 1.580) 9.843 28.289 ( 8.034 -0.617 -2.977) 8.590 30.443 ( 31.485 3.527 7.309) 32.514 30.916 ( 22.621 5.567 -9.918) 25.319 31.705 ( -18.015 -0.751 1.775) 18.118 31.735 ( -23.468 -0.118 0.238) 23.469 ======================= Grid point 140 (46/108) ======================= q-point: ( 0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.549 ( 16.903 -17.867 3.159) 24.797 3.796 ( 14.288 -16.039 5.917) 22.280 3.990 ( 20.574 0.623 0.246) 20.585 4.273 ( 10.969 6.504 -10.227) 16.346 4.489 ( 2.935 3.951 -4.792) 6.870 4.511 ( -6.975 0.252 -3.169) 7.665 4.680 ( -1.143 0.630 -2.087) 2.461 4.854 ( -2.098 2.925 -1.045) 3.749 5.003 ( 2.960 8.004 5.309) 10.050 5.074 ( -3.818 3.087 6.737) 8.336 5.281 ( 6.118 -0.142 5.663) 8.338 5.415 ( -5.399 10.781 2.092) 12.237 5.579 ( -7.468 3.572 -1.771) 8.466 5.768 ( 3.945 1.252 -10.766) 11.534 5.954 ( 3.046 -0.632 -10.151) 10.617 6.067 ( -4.654 -2.131 -11.858) 12.916 6.342 ( -5.068 -5.847 0.469) 7.752 6.475 ( -2.343 -0.420 -4.250) 4.872 6.688 ( 12.003 -12.600 11.396) 20.801 6.981 ( 0.794 -0.075 6.468) 6.517 7.055 ( 6.959 -2.548 11.598) 13.763 7.117 ( 2.978 -1.171 7.593) 8.240 7.320 ( -4.877 -2.800 -0.519) 5.648 7.381 ( 2.994 8.075 -6.657) 10.885 7.858 ( -0.188 -12.879 6.214) 14.301 8.042 ( 3.036 -2.882 3.000) 5.150 8.239 ( 7.530 2.797 -3.487) 8.757 8.368 ( 3.097 -0.762 -0.283) 3.202 8.590 ( -11.295 -1.325 -0.153) 11.374 8.679 ( 5.579 3.790 -7.044) 9.752 8.875 ( -4.793 6.773 -4.649) 9.511 9.051 ( 3.872 13.802 -4.692) 15.083 10.201 ( 5.772 -5.852 8.500) 11.824 10.417 ( 5.631 0.026 5.707) 8.018 10.561 ( 13.364 -7.321 -4.254) 15.821 10.741 ( 3.395 -3.497 -6.066) 7.782 11.076 ( 22.208 2.957 0.368) 22.407 11.149 ( 18.591 1.941 -1.932) 18.792 11.373 ( -6.611 1.571 4.492) 8.146 11.444 ( 8.559 3.377 3.269) 9.765 11.591 ( -23.503 1.710 0.117) 23.566 11.685 ( -17.227 -0.904 1.732) 17.337 11.885 ( 7.409 -5.702 -0.423) 9.359 12.160 ( 3.234 3.383 -5.046) 6.883 13.070 ( 2.767 2.210 -1.119) 3.714 13.116 ( -2.646 -0.351 -2.154) 3.430 13.273 ( -12.962 3.899 2.169) 13.708 13.332 ( -23.241 -0.406 0.248) 23.246 15.290 ( 13.243 -0.936 12.848) 18.475 15.662 ( -16.556 3.890 11.286) 20.411 16.136 ( 9.031 -4.944 -10.149) 14.457 16.482 ( -11.777 2.039 -11.677) 16.709 16.879 ( -10.044 -4.279 2.111) 11.120 16.908 ( 13.055 4.273 3.024) 14.066 17.101 ( -12.310 -6.659 -5.795) 15.148 17.164 ( 16.728 5.060 -5.547) 18.335 19.007 ( 15.586 7.272 4.859) 17.873 19.152 ( -19.399 0.023 7.434) 20.774 19.289 ( 16.262 2.053 -3.691) 16.801 19.487 ( -20.949 -2.263 -3.977) 21.443 26.170 ( 7.835 -3.093 1.144) 8.501 26.206 ( -7.718 -7.830 -0.228) 10.996 26.532 ( -10.971 4.386 1.600) 11.924 26.618 ( 2.624 12.666 -1.334) 13.004 27.948 ( -1.038 -7.510 0.740) 7.618 27.987 ( -0.351 -5.568 0.143) 5.581 28.263 ( 5.110 -3.632 2.552) 6.769 28.441 ( 11.121 4.600 -3.366) 12.497 30.937 ( 27.930 3.388 5.251) 28.621 31.241 ( 19.380 5.460 -5.613) 20.902 31.289 ( -27.467 -1.562 1.675) 27.563 31.375 ( -21.981 -3.186 -1.137) 22.240 ======================= Grid point 141 (47/108) ======================= q-point: (-0.55 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( 2.506 -12.185 -0.411) 12.447 4.010 ( -3.388 -4.161 0.778) 5.422 4.217 ( -2.822 12.095 -6.500) 14.018 4.280 ( 2.887 4.608 -0.351) 5.449 4.346 ( -9.081 3.599 -5.335) 11.130 4.459 ( 3.478 -5.102 -1.326) 6.316 4.754 ( 7.604 3.468 -4.563) 9.522 4.780 ( -2.243 10.874 -6.128) 12.682 4.945 ( 2.813 -3.866 10.862) 11.867 5.095 ( 3.544 2.328 7.701) 8.791 5.243 ( -2.533 8.581 4.349) 9.948 5.288 ( -1.614 6.731 7.736) 10.381 5.555 ( 4.657 -6.018 -3.226) 8.265 5.734 ( -0.658 9.704 -5.744) 11.296 6.012 ( 0.702 -4.802 -9.860) 10.990 6.101 ( 4.231 -1.939 -13.615) 14.388 6.321 ( -4.894 -8.453 0.659) 9.789 6.445 ( -1.116 -0.871 -4.339) 4.564 6.919 ( 1.986 -5.607 6.153) 8.558 6.968 ( -1.321 -3.144 3.020) 4.555 7.107 ( -2.880 3.352 14.169) 14.842 7.170 ( -6.139 0.117 4.212) 7.446 7.203 ( 1.344 1.732 13.016) 13.200 7.399 ( 7.240 7.945 -4.985) 11.848 7.957 ( -6.067 -13.279 -2.541) 14.819 8.058 ( -3.271 -8.076 5.104) 10.098 8.256 ( -9.460 7.261 7.918) 14.315 8.406 ( 10.208 1.088 -8.360) 13.239 8.515 ( -3.084 -7.100 -5.818) 9.684 8.723 ( 1.655 3.244 -3.209) 4.854 8.738 ( -2.646 6.388 -3.122) 7.587 8.956 ( 0.969 13.667 -8.361) 16.051 10.311 ( -0.786 -6.225 8.014) 10.178 10.381 ( -6.193 2.620 8.880) 11.139 10.676 ( -4.253 -6.227 -5.970) 9.618 10.756 ( -10.225 0.672 -4.519) 11.200 10.978 ( -31.788 -1.342 0.278) 31.817 11.033 ( -24.698 -3.849 -1.601) 25.047 11.340 ( 1.213 0.266 2.203) 2.529 11.390 ( -6.596 0.413 2.865) 7.203 11.521 ( 15.440 -1.911 1.010) 15.590 11.759 ( 16.234 2.663 -0.791) 16.470 11.966 ( -5.425 -2.146 -3.242) 6.675 12.106 ( -2.877 1.526 -2.374) 4.030 12.925 ( -13.149 -4.209 0.921) 13.837 12.998 ( -3.473 -4.695 -1.513) 6.033 13.312 ( 15.270 4.468 1.566) 15.987 13.402 ( 23.501 2.609 -1.656) 23.704 15.354 ( -13.383 2.490 12.755) 18.655 15.586 ( 17.835 -0.137 12.191) 21.603 16.227 ( -10.396 -0.868 -11.627) 15.621 16.377 ( 7.778 -2.872 -9.016) 12.249 16.660 ( -17.878 -7.261 2.469) 19.453 16.893 ( -14.873 -7.007 -7.337) 18.004 17.126 ( 10.595 5.456 3.468) 12.412 17.360 ( 10.368 6.133 -5.374) 13.191 18.757 ( -20.984 -4.238 8.136) 22.901 19.128 ( -16.695 -3.351 -5.537) 17.905 19.326 ( 18.157 5.857 6.250) 20.076 19.598 ( 19.227 3.180 -3.826) 19.860 26.139 ( -8.655 -9.625 0.962) 12.980 26.217 ( -9.309 -3.193 -2.262) 10.098 26.461 ( 9.949 2.252 3.748) 10.867 26.604 ( 7.735 11.249 -1.808) 13.772 27.974 ( -2.053 -4.460 0.445) 4.930 28.008 ( -2.797 -5.274 -0.099) 5.970 28.385 ( 8.065 2.775 3.300) 9.145 28.586 ( 12.511 10.680 -3.580) 16.835 30.787 ( -32.141 -4.120 3.143) 32.556 30.974 ( -27.317 -7.735 -3.439) 28.598 31.364 ( 23.441 2.203 3.161) 23.755 31.531 ( 17.297 4.368 -2.677) 18.040 ======================= Grid point 142 (48/108) ======================= q-point: (-0.45 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( -24.057 15.543 -3.840) 28.897 3.859 ( -15.019 0.801 -6.301) 16.307 3.956 ( -7.388 3.385 1.628) 8.287 4.021 ( -9.084 19.518 1.312) 21.569 4.451 ( 3.495 -5.210 -6.534) 9.058 4.564 ( 1.985 -1.881 -8.649) 9.071 4.669 ( -0.235 5.455 -0.810) 5.520 4.806 ( 0.451 -1.300 -1.622) 2.127 4.957 ( -2.952 6.725 3.139) 7.987 5.081 ( 0.484 6.836 3.420) 7.659 5.188 ( -2.169 2.597 8.516) 9.163 5.379 ( 12.814 -6.194 9.139) 16.914 5.645 ( 1.811 2.947 -5.140) 6.195 5.753 ( 8.335 -2.925 -0.844) 8.874 6.014 ( -2.923 4.676 -4.821) 7.325 6.173 ( 3.494 1.470 -6.787) 7.774 6.332 ( -2.347 -9.728 0.275) 10.011 6.443 ( -1.283 -1.579 -1.179) 2.351 6.813 ( -16.439 10.181 14.916) 24.421 6.897 ( -3.702 -1.787 0.441) 4.134 6.998 ( -7.048 0.141 2.911) 7.627 7.062 ( 0.178 -1.003 2.016) 2.259 7.253 ( 0.972 0.570 8.039) 8.118 7.449 ( 2.151 4.466 -4.577) 6.747 7.810 ( -14.407 -3.538 -4.595) 15.531 8.065 ( -5.566 1.544 8.738) 10.474 8.126 ( -3.185 -7.595 -1.250) 8.330 8.428 ( -2.926 9.522 1.790) 10.121 8.463 ( -8.931 0.484 -8.563) 12.383 8.633 ( -3.061 -9.158 -3.473) 10.262 8.804 ( 5.422 3.603 -7.004) 9.562 8.923 ( 6.229 3.224 -4.320) 8.238 9.996 ( -38.686 0.649 1.687) 38.728 10.062 ( -48.477 2.000 -1.015) 48.528 10.250 ( -6.626 1.221 9.689) 11.801 10.647 ( -6.279 -6.776 -1.301) 9.329 10.698 ( -3.812 -4.797 -1.797) 6.386 10.932 ( -1.774 -2.762 -5.421) 6.338 11.166 ( -12.597 -2.523 1.903) 12.987 11.319 ( -9.743 -0.272 -2.342) 10.024 11.612 ( -13.069 -4.136 1.078) 13.750 11.691 ( -8.699 -3.976 -0.736) 9.593 12.155 ( 13.993 -0.454 3.778) 14.501 12.178 ( 17.557 -0.121 3.146) 17.837 12.852 ( -0.124 -4.271 3.108) 5.284 13.055 ( 3.480 -3.409 -3.827) 6.195 13.623 ( 19.890 0.670 5.085) 20.541 13.850 ( 26.608 0.685 -3.429) 26.836 15.138 ( -9.029 1.684 8.808) 12.726 15.781 ( -3.315 1.076 -8.905) 9.563 16.195 ( 14.319 -1.871 3.589) 14.880 16.377 ( -19.486 -7.502 2.534) 21.033 16.478 ( -10.037 -8.634 -6.696) 14.837 16.737 ( -3.872 -4.020 -6.058) 8.237 17.210 ( 4.677 4.875 3.368) 7.549 17.408 ( 0.436 3.510 -3.515) 4.987 18.518 ( -9.097 -2.796 7.828) 12.322 18.913 ( -10.293 -4.323 -6.168) 12.754 19.608 ( 17.187 3.513 6.656) 18.763 19.891 ( 15.937 1.946 -3.632) 16.461 26.023 ( -10.047 -1.509 2.101) 10.375 26.117 ( -7.418 -11.230 -1.226) 13.514 26.674 ( 11.764 5.577 -0.001) 13.020 26.679 ( 11.325 2.140 -0.125) 11.526 27.955 ( -2.629 -0.623 0.381) 2.728 27.985 ( -3.664 -2.610 -0.100) 4.500 28.484 ( 8.417 8.476 3.260) 12.382 28.664 ( 9.009 16.326 -2.944) 18.877 30.243 ( -34.657 -6.598 5.173) 35.657 30.581 ( -25.988 -11.922 -6.845) 29.400 31.728 ( 19.158 0.352 1.369) 19.210 31.776 ( 14.118 2.061 -0.192) 14.269 ======================= Grid point 143 (49/108) ======================= q-point: (-0.36 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( -30.966 18.304 3.809) 36.172 3.433 ( -19.585 25.446 3.181) 32.268 3.634 ( -9.973 14.060 -5.822) 18.194 3.884 ( -5.360 5.138 -10.072) 12.513 4.418 ( -4.339 9.273 -2.837) 10.624 4.491 ( -12.174 -2.907 -0.866) 12.546 4.637 ( -5.095 5.246 -3.876) 8.277 4.793 ( -6.251 -5.523 7.567) 11.263 4.852 ( -2.660 1.326 -3.500) 4.592 5.061 ( 1.943 10.610 9.702) 14.508 5.112 ( 3.762 4.729 -2.230) 6.441 5.540 ( -0.688 0.095 -6.236) 6.274 5.673 ( -18.693 5.450 7.466) 20.853 5.789 ( 9.616 -1.572 4.945) 10.927 5.978 ( 6.269 -2.225 1.878) 6.912 6.212 ( 2.097 1.340 -2.810) 3.753 6.299 ( -6.104 9.067 5.936) 12.438 6.432 ( -1.768 -8.613 1.139) 8.866 6.552 ( -3.030 -0.040 -4.021) 5.035 6.856 ( -4.544 -2.906 4.433) 6.982 6.871 ( -5.055 -0.409 3.089) 5.938 7.008 ( -7.648 5.525 -2.490) 9.758 7.232 ( -4.071 -1.339 -2.937) 5.196 7.379 ( -4.496 0.563 -13.681) 14.412 7.578 ( -13.601 -0.195 -2.747) 13.877 7.968 ( -2.080 3.988 3.518) 5.710 8.057 ( -14.330 -4.735 -6.758) 16.536 8.126 ( -11.060 5.751 1.546) 12.562 8.505 ( 4.663 -6.529 6.722) 10.468 8.643 ( -5.114 -7.841 -0.241) 9.364 8.805 ( -0.627 3.199 -5.172) 6.114 9.090 ( 4.179 -5.141 -5.179) 8.409 9.215 ( -39.313 0.724 1.627) 39.354 9.282 ( -34.597 1.214 -0.955) 34.631 10.123 ( -5.169 3.101 10.712) 12.292 10.600 ( -5.243 -2.504 -7.321) 9.346 10.702 ( -2.880 -4.681 -0.641) 5.533 10.863 ( -7.001 0.366 -6.236) 9.383 11.026 ( -14.969 -3.174 -3.288) 15.651 11.057 ( -10.071 -4.753 -2.097) 11.332 11.419 ( -16.833 -6.015 11.578) 21.298 11.541 ( -8.694 -4.367 8.897) 13.184 12.459 ( 18.073 -1.939 3.390) 18.490 12.535 ( 21.021 -1.329 0.663) 21.073 12.947 ( 5.927 -3.144 3.883) 7.752 13.159 ( 4.238 -5.160 -4.899) 8.282 13.933 ( 14.351 -1.346 7.095) 16.066 14.256 ( 17.980 -0.488 -4.789) 18.613 14.994 ( -6.873 0.408 3.401) 7.680 15.577 ( -15.682 -1.404 -19.034) 24.702 16.066 ( -21.395 -7.146 2.468) 22.692 16.239 ( -22.236 -10.203 -6.510) 25.316 16.662 ( 30.539 -2.050 4.438) 30.928 16.774 ( -0.626 -5.437 5.047) 7.445 17.247 ( 4.151 2.226 2.132) 5.171 17.368 ( -0.826 0.184 -1.591) 1.802 18.469 ( 1.321 1.124 5.704) 5.962 18.843 ( -1.597 -2.616 -6.964) 7.608 19.846 ( 11.689 1.053 6.661) 13.495 20.099 ( 8.287 0.392 -2.751) 8.741 25.873 ( -7.766 -0.977 5.258) 9.429 26.116 ( -5.686 -14.165 -3.513) 15.663 26.785 ( 9.782 6.889 2.136) 12.154 26.908 ( 10.546 -3.124 -2.186) 11.214 27.896 ( -3.030 2.572 0.579) 4.016 27.929 ( -3.801 0.214 -0.107) 3.809 28.511 ( 4.883 13.001 1.517) 13.970 28.578 ( -2.070 17.553 -0.725) 17.689 29.708 ( -32.634 -7.430 8.529) 34.538 30.316 ( -14.803 -10.423 -13.570) 22.625 31.972 ( 11.008 -0.080 3.694) 11.612 32.069 ( 17.427 -2.472 -0.458) 17.608 ======================= Grid point 144 (50/108) ======================= q-point: (-0.27 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -30.244 18.214 16.606) 39.016 2.788 ( -22.061 35.885 10.523) 43.419 3.352 ( -8.766 14.555 -13.371) 21.621 3.657 ( -10.311 17.179 -21.443) 29.347 3.958 ( -37.134 20.352 28.486) 51.035 4.231 ( -10.111 6.766 3.453) 12.647 4.463 ( -7.501 5.581 -6.547) 11.414 4.712 ( -6.196 -3.249 8.901) 11.322 4.784 ( -2.991 3.474 -5.853) 7.435 4.976 ( -3.227 4.991 8.708) 10.543 5.167 ( -28.697 -0.452 9.500) 30.232 5.212 ( 5.024 2.706 -5.254) 7.757 5.474 ( -1.020 3.104 -14.607) 14.968 5.966 ( 3.779 1.432 -2.518) 4.762 6.034 ( 0.296 3.440 -0.121) 3.455 6.178 ( -1.870 0.873 1.950) 2.840 6.217 ( 1.139 2.824 -6.055) 6.777 6.454 ( -1.029 -0.990 0.531) 1.524 6.594 ( 1.515 -6.925 -2.063) 7.383 6.709 ( -8.816 8.461 -12.203) 17.269 6.818 ( -3.076 -3.405 1.835) 4.942 6.849 ( -2.289 -0.313 1.217) 2.611 7.112 ( -8.469 -3.032 -3.245) 9.563 7.348 ( -3.048 -3.771 -14.943) 15.710 7.396 ( -8.919 -5.511 -1.594) 10.604 7.760 ( -15.483 2.234 -9.101) 18.098 7.928 ( 1.074 2.995 0.229) 3.190 7.997 ( -7.614 -4.770 4.026) 9.846 8.481 ( -17.651 -2.553 4.941) 18.506 8.558 ( -21.794 -1.369 2.858) 22.024 8.653 ( -14.109 -0.913 -1.197) 14.189 8.757 ( 3.777 -7.932 -1.264) 8.876 8.945 ( 4.694 1.802 4.981) 7.077 9.374 ( 13.841 -6.693 2.779) 15.623 10.016 ( -3.319 4.326 11.224) 12.479 10.498 ( -8.232 -0.341 -6.538) 10.519 10.623 ( -10.956 -4.333 -4.558) 12.633 10.663 ( -12.829 0.652 -4.979) 13.777 10.849 ( -6.088 -4.216 1.925) 7.652 10.980 ( -10.757 -4.199 0.864) 11.580 11.163 ( -11.059 -3.182 11.132) 16.011 11.478 ( -3.512 -3.309 8.637) 9.894 12.785 ( 16.453 -2.041 4.155) 17.091 12.922 ( 19.867 -2.272 -2.103) 20.107 13.088 ( 7.793 -1.469 2.964) 8.466 13.317 ( 7.807 -7.684 -6.037) 12.507 14.147 ( 7.989 -2.852 6.036) 10.411 14.447 ( 2.483 -1.362 -5.055) 5.794 14.866 ( -7.942 -0.131 -0.643) 7.969 15.267 ( -25.007 -6.129 -24.580) 35.596 15.760 ( -19.553 -5.968 3.372) 20.720 15.969 ( -16.158 -8.621 -3.931) 18.731 16.793 ( -3.494 -12.517 21.011) 24.706 17.224 ( 17.914 -3.691 -3.389) 18.602 17.329 ( 14.650 -0.288 3.642) 15.099 17.447 ( 11.862 1.256 -0.440) 11.937 18.504 ( 4.267 3.302 4.331) 6.919 18.881 ( 4.270 0.586 -8.910) 9.897 19.991 ( 4.854 -0.637 5.583) 7.426 20.160 ( -1.674 -0.546 -1.195) 2.128 25.779 ( -4.288 -2.554 9.588) 10.810 26.168 ( -3.772 -16.431 -5.221) 17.649 26.886 ( 7.126 4.282 3.547) 9.039 27.079 ( 4.218 -4.690 -3.455) 7.192 27.810 ( -3.272 3.876 0.938) 5.158 27.854 ( -3.483 1.982 -0.352) 4.023 28.298 ( -12.153 13.019 1.521) 17.874 28.415 ( -2.611 14.196 -3.033) 14.749 29.250 ( -24.651 -3.687 14.095) 28.635 30.225 ( -1.984 1.067 -24.647) 24.749 32.174 ( 10.928 -3.673 9.789) 15.124 32.399 ( 15.849 -5.455 -1.209) 16.805 ======================= Grid point 145 (51/108) ======================= q-point: (-0.18 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -23.128 17.771 31.611) 43.011 2.048 ( -23.208 37.204 22.452) 49.263 2.935 ( -32.387 35.406 41.180) 63.232 3.058 ( -15.055 15.173 -18.006) 27.948 3.327 ( -9.090 25.821 -27.026) 38.467 3.941 ( -15.432 6.214 11.209) 20.060 4.283 ( -5.529 7.310 -4.376) 10.156 4.642 ( -5.084 -3.912 11.314) 13.006 4.691 ( -10.310 -1.449 4.171) 11.216 4.759 ( -5.772 0.853 0.208) 5.838 4.894 ( -3.784 6.799 9.235) 12.076 5.135 ( -9.423 -0.861 -8.927) 13.009 5.574 ( 13.980 6.188 -9.561) 18.032 5.810 ( -8.464 7.814 -35.958) 37.758 6.067 ( 2.777 2.782 -0.618) 3.979 6.129 ( -5.989 1.190 -6.307) 8.778 6.209 ( 0.222 2.116 -7.034) 7.349 6.442 ( 0.207 1.839 2.647) 3.229 6.556 ( -2.105 2.638 -9.143) 9.746 6.651 ( -2.925 -3.440 -6.662) 8.048 6.776 ( -2.164 0.614 7.344) 7.680 6.915 ( 6.125 -3.504 -1.331) 7.181 7.066 ( -2.599 -8.120 -1.646) 8.684 7.294 ( -5.083 -2.322 -8.084) 9.827 7.349 ( -3.884 -6.915 -5.318) 9.549 7.480 ( -13.353 2.585 -13.215) 18.963 7.930 ( 0.250 -0.186 1.399) 1.433 7.958 ( 0.680 -1.321 0.056) 1.487 8.164 ( -13.986 -1.991 1.019) 14.164 8.271 ( -14.215 0.138 -1.442) 14.289 8.531 ( -3.863 -3.277 16.031) 16.812 8.807 ( 0.555 0.407 -6.870) 6.905 9.236 ( 20.336 -4.670 14.536) 25.430 9.743 ( 16.999 -13.396 9.406) 23.598 9.937 ( -0.385 3.425 13.414) 13.850 10.308 ( -14.044 -0.900 3.878) 14.597 10.378 ( -16.514 -3.421 7.098) 18.297 10.567 ( -3.540 -2.470 -6.265) 7.608 10.653 ( -12.678 -2.440 1.222) 12.968 10.913 ( 1.273 1.339 -6.572) 6.827 11.105 ( -1.369 -1.181 0.143) 1.814 11.460 ( -0.603 0.153 -1.069) 1.237 13.046 ( 10.524 -1.274 4.797) 11.636 13.150 ( 3.899 -3.816 0.876) 5.525 13.337 ( 18.546 0.225 -2.513) 18.717 13.564 ( 11.539 -7.202 -6.230) 14.961 14.269 ( 2.442 -3.996 2.682) 5.397 14.406 ( -7.087 -2.832 -2.072) 7.908 14.723 ( -7.330 0.474 -4.004) 8.365 14.757 ( -39.289 -7.021 -18.179) 43.856 15.515 ( -12.500 -4.540 5.857) 14.532 15.839 ( -6.289 -5.007 -5.709) 9.860 16.918 ( 0.319 -22.218 31.411) 38.476 17.320 ( 0.765 -5.232 2.004) 5.654 17.565 ( 9.223 1.158 4.399) 10.284 17.908 ( 27.401 -3.209 -2.071) 27.666 18.546 ( 3.644 3.625 4.089) 6.568 18.965 ( 7.277 4.511 -12.387) 15.058 20.024 ( -1.898 -1.035 2.219) 3.098 20.064 ( -8.287 -0.361 0.343) 8.302 25.798 ( 2.045 -8.899 16.480) 18.840 26.279 ( -1.106 -18.475 -4.833) 19.129 26.958 ( 4.011 1.467 2.642) 5.022 27.105 ( -6.899 -5.266 -2.753) 9.106 27.703 ( -4.781 6.420 1.029) 8.071 27.773 ( -2.891 3.714 -1.605) 4.973 28.009 ( -8.236 5.543 1.797) 10.088 28.193 ( -7.820 11.933 -7.125) 15.947 28.914 ( -13.267 4.153 19.456) 23.912 30.150 ( 1.504 19.390 -39.105) 43.674 32.448 ( 12.934 -11.563 16.435) 23.898 32.699 ( 10.793 -7.319 -0.461) 13.049 ======================= Grid point 146 (52/108) ======================= q-point: (-0.09 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.000 17.305 40.102) 43.676 1.476 ( 0.000 40.046 33.083) 51.944 2.256 ( 0.000 33.317 70.191) 77.697 2.794 ( 0.000 8.744 -26.699) 28.094 3.021 ( 0.000 23.289 -33.895) 41.125 3.724 ( 0.000 5.477 15.348) 16.296 4.158 ( 0.000 7.788 -4.400) 8.945 4.613 ( -0.000 -4.520 6.044) 7.547 4.638 ( -0.000 -5.249 13.362) 14.356 4.721 ( 0.000 2.514 4.574) 5.219 4.808 ( 0.000 5.697 6.479) 8.627 5.015 ( 0.000 1.079 -8.528) 8.596 5.646 ( 0.000 9.181 -50.452) 51.280 5.764 ( 0.000 3.461 11.373) 11.888 5.835 ( 0.000 16.876 -40.772) 44.126 6.094 ( 0.000 0.968 1.965) 2.191 6.202 ( 0.000 0.864 -1.504) 1.734 6.436 ( 0.000 1.251 3.313) 3.541 6.549 ( 0.000 1.252 -15.999) 16.048 6.583 ( 0.000 1.040 -1.115) 1.525 6.756 ( 0.000 1.350 8.806) 8.909 7.000 ( 0.000 1.800 -3.341) 3.795 7.125 ( -0.000 -8.744 -0.616) 8.766 7.268 ( -0.000 -2.712 -7.521) 7.995 7.333 ( -0.000 -0.484 -13.334) 13.343 7.371 ( -0.000 -5.322 -4.732) 7.121 7.926 ( 0.000 6.766 -0.216) 6.769 8.025 ( -0.000 -2.762 2.836) 3.958 8.026 ( -0.000 -3.661 5.473) 6.585 8.105 ( 0.000 1.677 -0.356) 1.715 8.535 ( -0.000 -4.222 21.514) 21.924 8.812 ( -0.000 -0.130 -4.396) 4.398 9.546 ( -0.000 -3.824 14.586) 15.079 9.849 ( 0.000 4.414 7.859) 9.014 10.073 ( -0.000 -0.375 16.609) 16.613 10.226 ( -0.000 -2.697 7.289) 7.772 10.229 ( -0.000 -28.602 16.820) 33.181 10.565 ( -0.000 -0.218 -5.477) 5.481 10.568 ( -0.000 -3.792 -5.324) 6.537 10.929 ( 0.000 1.266 -13.788) 13.846 11.095 ( 0.000 0.596 -2.821) 2.883 11.409 ( 0.000 12.105 -20.055) 23.425 13.147 ( -0.000 -0.503 3.810) 3.843 13.227 ( -0.000 -5.022 4.732) 6.900 13.570 ( -0.000 -0.877 -2.405) 2.560 13.765 ( -0.000 -3.783 -9.766) 10.473 14.226 ( -0.000 -0.340 4.237) 4.250 14.315 ( -0.000 -3.174 -0.621) 3.234 14.365 ( -0.000 -2.320 3.156) 3.917 14.646 ( 0.000 0.777 -5.149) 5.208 15.434 ( -0.000 -3.201 7.041) 7.734 15.818 ( -0.000 -2.775 -6.973) 7.505 17.154 ( -0.000 -24.551 21.705) 32.770 17.393 ( -0.000 -10.486 4.034) 11.235 17.689 ( -0.000 -9.654 18.281) 20.674 18.215 ( -0.000 -3.748 -2.374) 4.437 18.553 ( 0.000 2.978 4.195) 5.145 18.997 ( 0.000 9.410 -16.026) 18.584 19.957 ( 0.000 0.203 0.611) 0.644 19.992 ( 0.000 0.297 -0.637) 0.703 26.026 ( -0.000 -28.276 22.380) 36.061 26.443 ( -0.000 -18.290 -2.773) 18.499 26.991 ( -0.000 -0.044 0.177) 0.182 27.001 ( -0.000 -0.080 -0.173) 0.191 27.554 ( 0.000 9.908 0.985) 9.957 27.673 ( 0.000 12.273 -5.095) 13.289 27.937 ( -0.000 -1.248 0.591) 1.381 28.022 ( 0.000 7.091 -4.084) 8.183 28.738 ( 0.000 4.086 20.733) 21.131 29.886 ( 0.000 41.230 -44.729) 60.832 32.760 ( -0.000 -21.300 13.540) 25.239 32.864 ( -0.000 -6.358 0.895) 6.421 ======================= Grid point 149 (53/108) ======================= q-point: ( 0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 29.781 -0.000 16.481) 34.037 3.161 ( 28.341 -0.000 11.844) 30.716 3.716 ( 19.397 -0.000 -13.511) 23.638 3.941 ( 22.674 -0.000 -11.409) 25.383 4.419 ( 8.528 -0.000 0.932) 8.579 4.504 ( 6.163 -0.000 -5.441) 8.221 4.773 ( -5.969 0.000 -0.705) 6.011 4.910 ( 8.724 -0.000 -1.598) 8.869 5.017 ( -4.236 0.000 7.794) 8.871 5.095 ( 5.184 -0.000 8.171) 9.677 5.332 ( 10.439 -0.000 -3.568) 11.032 5.599 ( -2.536 0.000 -8.836) 9.193 5.707 ( -8.880 0.000 -8.337) 12.180 5.727 ( 0.130 -0.000 -4.272) 4.274 5.925 ( 13.230 -0.000 9.930) 16.542 6.172 ( -6.477 0.000 0.651) 6.510 6.294 ( 4.482 -0.000 -10.381) 11.307 6.360 ( -4.922 0.000 1.032) 5.029 6.551 ( -3.676 0.000 -5.924) 6.972 6.777 ( 7.502 -0.000 1.264) 7.608 6.899 ( 6.772 -0.000 9.018) 11.277 7.035 ( 6.481 -0.000 10.142) 12.036 7.242 ( -1.008 0.000 -7.894) 7.958 7.467 ( -0.436 0.000 -3.411) 3.438 7.719 ( -2.032 0.000 14.460) 14.602 8.038 ( 11.801 -0.000 -14.255) 18.506 8.104 ( 4.848 -0.000 -8.023) 9.374 8.277 ( 1.764 -0.000 12.176) 12.303 8.642 ( 2.695 -0.000 -0.722) 2.790 8.723 ( -2.021 0.000 -3.996) 4.478 9.084 ( -7.904 0.000 -3.456) 8.627 9.133 ( 9.146 -0.000 0.645) 9.169 9.928 ( 24.006 -0.000 -0.400) 24.010 9.937 ( 40.766 -0.000 -0.017) 40.766 10.155 ( 16.369 -0.000 6.810) 17.729 10.596 ( 3.568 -0.000 -8.763) 9.462 10.864 ( 8.197 -0.000 -0.630) 8.222 10.921 ( 7.464 -0.000 -1.059) 7.539 11.298 ( 7.944 -0.000 1.530) 8.090 11.430 ( 19.196 -0.000 -2.851) 19.406 11.534 ( 0.069 -0.000 15.280) 15.280 11.938 ( 7.658 -0.000 -0.354) 7.667 12.103 ( -24.446 0.000 3.050) 24.635 12.159 ( -14.773 0.000 2.361) 14.961 13.059 ( 0.632 -0.000 1.943) 2.043 13.270 ( -6.257 0.000 -7.122) 9.480 13.643 ( -21.460 0.000 6.286) 22.361 13.833 ( -29.599 0.000 -2.065) 29.671 15.100 ( 7.308 -0.000 8.498) 11.208 15.824 ( 12.354 -0.000 -15.087) 19.499 16.145 ( -26.539 0.000 9.801) 28.291 16.639 ( 21.045 -0.000 3.899) 21.403 16.702 ( -7.176 0.000 -11.342) 13.422 16.909 ( 16.440 -0.000 -4.996) 17.182 17.035 ( -10.550 0.000 2.152) 10.767 17.219 ( -11.044 0.000 -5.839) 12.493 18.906 ( 13.649 -0.000 1.212) 13.703 19.015 ( 14.292 -0.000 -1.927) 14.421 19.533 ( -20.891 0.000 8.354) 22.500 19.824 ( -19.106 0.000 -3.390) 19.404 25.999 ( 7.007 -0.000 6.089) 9.282 26.237 ( -7.918 0.000 -2.800) 8.399 26.834 ( -14.275 0.000 0.166) 14.276 26.849 ( -2.247 0.000 -0.365) 2.276 27.788 ( 0.589 -0.000 1.873) 1.963 27.896 ( -0.854 0.000 -1.846) 2.034 28.061 ( 8.169 -0.000 4.291) 9.227 28.288 ( 10.635 -0.000 -3.745) 11.275 30.476 ( 30.934 -0.000 7.567) 31.846 30.967 ( 22.279 -0.000 -10.440) 24.604 31.698 ( -18.341 0.000 2.073) 18.458 31.735 ( -24.550 0.000 0.141) 24.551 ======================= Grid point 150 (54/108) ======================= q-point: ( 0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 21.815 -8.389 11.893) 26.224 3.594 ( 17.156 -5.896 8.710) 20.123 4.038 ( 19.088 2.971 -4.407) 19.814 4.313 ( 16.654 -0.400 -11.217) 20.083 4.517 ( -3.373 0.401 -6.878) 7.671 4.559 ( -0.297 2.514 -4.508) 5.170 4.676 ( 3.042 -0.427 6.547) 7.232 4.927 ( -1.058 4.278 7.411) 8.622 5.057 ( 3.443 -0.437 3.513) 4.938 5.124 ( 1.304 -0.052 1.064) 1.684 5.356 ( -1.302 9.370 -8.281) 12.573 5.555 ( -2.701 -1.561 -5.145) 6.017 5.599 ( -4.071 -1.971 -5.176) 6.874 5.741 ( 0.765 2.666 -6.562) 7.125 5.991 ( -0.022 4.919 -6.244) 7.949 6.096 ( -4.839 -1.740 -2.811) 5.861 6.267 ( -5.746 2.429 -6.782) 9.215 6.398 ( 1.455 -7.682 -2.105) 8.097 6.546 ( 6.689 -3.288 5.275) 9.131 6.938 ( 7.154 -3.186 5.386) 9.505 7.020 ( 6.315 -1.134 11.202) 12.909 7.128 ( 3.584 0.897 6.388) 7.380 7.260 ( 0.851 -1.883 0.167) 2.073 7.447 ( -0.581 0.373 -0.735) 1.009 7.676 ( -4.534 -5.996 11.942) 14.111 8.097 ( 1.515 7.399 -1.267) 7.657 8.273 ( 10.213 -1.390 -10.169) 14.479 8.288 ( -0.713 -4.881 0.714) 4.984 8.618 ( -8.979 2.539 9.068) 13.012 8.727 ( 6.010 1.346 -6.414) 8.892 8.968 ( -4.519 2.920 -6.464) 8.410 9.237 ( 5.248 5.880 -1.288) 7.986 10.127 ( 5.052 -2.001 6.258) 8.288 10.414 ( 7.477 0.104 2.196) 7.794 10.448 ( 9.774 -4.520 -2.904) 11.153 10.674 ( 3.824 -2.740 -4.979) 6.850 11.114 ( 21.535 1.180 -0.063) 21.567 11.171 ( 18.030 0.619 -1.840) 18.134 11.397 ( -5.079 0.814 4.991) 7.167 11.499 ( 0.599 2.191 3.857) 4.476 11.607 ( -27.042 0.081 -2.226) 27.134 11.698 ( -8.796 2.648 4.782) 10.357 11.782 ( 6.248 -5.407 -0.179) 8.264 12.206 ( 5.139 1.491 -6.269) 8.242 13.082 ( -15.228 -0.165 -1.157) 15.273 13.114 ( 1.510 0.139 -2.100) 2.590 13.318 ( -21.133 0.670 1.880) 21.227 13.350 ( -6.683 1.715 0.936) 6.963 15.280 ( 13.250 -0.260 12.862) 18.468 15.728 ( -18.699 2.665 13.657) 23.308 16.056 ( 10.847 -3.125 -12.285) 16.684 16.506 ( -12.054 0.684 -11.886) 16.942 16.814 ( -14.661 -2.054 1.861) 14.920 16.972 ( 12.981 2.271 2.222) 13.364 17.011 ( -9.926 -3.147 -5.082) 11.587 17.227 ( 17.378 1.867 -5.466) 18.312 19.072 ( -10.881 0.740 5.032) 12.011 19.204 ( 3.119 3.830 5.853) 7.659 19.307 ( 16.216 0.039 -3.267) 16.542 19.457 ( -20.395 -1.021 -3.611) 20.737 26.106 ( -8.238 -2.934 0.530) 8.761 26.129 ( 6.215 -1.361 -0.140) 6.363 26.594 ( -10.712 2.072 4.134) 11.668 26.797 ( 0.467 6.160 -3.076) 6.901 27.829 ( 1.317 -4.463 0.686) 4.704 27.892 ( -1.255 -3.544 -1.269) 3.968 28.234 ( 10.727 -0.428 5.095) 11.884 28.503 ( 14.414 1.946 -4.442) 15.208 30.979 ( 26.684 1.250 5.751) 27.325 31.270 ( -28.503 -0.503 1.252) 28.535 31.290 ( -0.648 0.228 -4.391) 4.445 31.353 ( -5.534 0.557 -2.411) 6.062 ======================= Grid point 151 (55/108) ======================= q-point: ( 0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( 10.137 -8.905 5.506) 14.573 3.857 ( 6.092 -8.647 8.311) 13.452 4.302 ( 4.074 1.996 -1.327) 4.727 4.357 ( -13.294 0.462 -5.011) 14.215 4.400 ( -1.570 1.871 -6.758) 7.186 4.511 ( 9.270 6.971 -7.013) 13.554 4.835 ( 10.496 6.120 0.113) 12.150 4.929 ( 2.051 3.691 5.203) 6.701 4.967 ( -7.654 6.160 -3.459) 10.416 5.144 ( 6.231 5.710 7.087) 11.029 5.362 ( 4.043 0.326 4.490) 6.051 5.474 ( -2.535 6.977 -1.606) 7.595 5.512 ( -0.520 7.586 -2.740) 8.082 5.795 ( 1.219 -14.126 -11.788) 18.438 5.930 ( -5.498 5.481 -9.149) 11.999 6.069 ( 4.435 2.251 -9.654) 10.860 6.172 ( -5.596 -7.609 -3.101) 9.942 6.403 ( -3.625 -4.589 -9.095) 10.812 6.780 ( 8.698 -6.691 11.681) 16.028 7.009 ( -0.019 3.626 8.836) 9.551 7.119 ( 2.059 -0.412 11.553) 11.742 7.158 ( 0.802 -0.594 3.970) 4.093 7.244 ( -1.512 3.062 9.304) 9.911 7.475 ( 2.856 -1.782 -4.146) 5.340 7.692 ( -4.493 -14.309 3.076) 15.310 8.014 ( -3.929 4.553 2.511) 6.517 8.314 ( -5.966 -7.510 -6.563) 11.622 8.396 ( -6.062 6.401 17.066) 19.209 8.467 ( 8.275 0.034 -10.255) 13.177 8.788 ( 2.558 3.064 -3.155) 5.088 8.859 ( -3.000 5.642 -3.675) 7.371 9.205 ( 0.312 12.096 -7.142) 14.050 10.202 ( -0.473 -4.836 6.150) 7.838 10.408 ( -5.086 0.683 7.426) 9.027 10.542 ( -2.929 -7.936 -7.196) 11.106 10.726 ( -4.144 -3.246 -3.138) 6.128 10.964 ( -33.547 -0.707 -0.004) 33.554 10.990 ( -36.931 -0.648 -0.756) 36.945 11.356 ( 1.334 1.149 1.603) 2.381 11.406 ( -5.373 1.252 3.326) 6.442 11.488 ( 11.285 -1.836 0.289) 11.437 11.807 ( 10.096 2.735 -2.961) 10.871 11.918 ( 3.415 -2.918 -1.041) 4.611 12.131 ( -9.730 0.994 -3.622) 10.430 12.868 ( -13.214 -2.079 1.178) 13.428 12.932 ( -0.389 -2.662 -1.116) 2.913 13.386 ( 11.930 3.440 0.897) 12.448 13.441 ( 21.232 1.547 -1.112) 21.317 15.395 ( -12.572 1.867 12.608) 17.902 15.595 ( 18.090 0.953 14.463) 23.180 16.190 ( -5.733 -2.600 -13.639) 15.022 16.339 ( -0.903 -1.441 -7.488) 7.679 16.551 ( -18.133 -4.542 2.126) 18.813 16.785 ( -13.832 -4.622 -8.308) 16.784 17.206 ( 10.657 3.301 3.620) 11.729 17.444 ( 8.660 3.206 -5.018) 10.510 18.710 ( -19.649 -1.388 7.997) 21.259 19.078 ( -18.822 -1.990 -5.394) 19.681 19.428 ( 16.962 4.931 4.912) 18.334 19.642 ( 18.452 1.545 -2.968) 18.753 25.998 ( -8.360 -5.685 1.860) 10.280 26.164 ( -6.311 -2.404 -5.557) 8.746 26.508 ( 5.383 2.371 7.784) 9.756 26.782 ( 5.148 7.972 -3.453) 10.098 27.893 ( 1.053 -3.982 -0.429) 4.141 27.910 ( -0.744 -4.755 -0.536) 4.842 28.432 ( 12.304 2.105 5.976) 13.839 28.743 ( 16.609 6.542 -5.106) 18.567 30.727 ( -33.939 -2.442 2.173) 34.096 30.858 ( -30.798 -4.882 -2.443) 31.279 31.397 ( 21.886 1.352 3.751) 22.246 31.595 ( 15.125 2.604 -3.186) 15.675 ======================= Grid point 152 (56/108) ======================= q-point: (-0.55 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.772 ( -3.651 -2.846 -1.272) 4.801 3.941 ( -16.692 10.407 -7.579) 21.080 3.982 ( -7.284 -3.003 4.953) 9.306 4.203 ( -8.300 -1.805 1.809) 8.685 4.465 ( 2.076 10.369 -6.313) 12.316 4.557 ( 4.530 4.314 -6.671) 9.146 4.780 ( -1.929 2.140 1.088) 3.080 4.843 ( -1.514 4.283 -4.089) 6.112 5.070 ( 5.162 5.538 8.846) 11.643 5.181 ( 4.398 4.811 0.899) 6.580 5.286 ( 0.765 7.921 4.701) 9.243 5.399 ( 4.158 9.548 0.692) 10.437 5.645 ( 9.559 -3.735 -4.064) 11.038 5.787 ( -1.125 7.134 -3.483) 8.018 5.964 ( 2.010 -12.747 -6.912) 14.640 6.125 ( -2.781 -7.948 1.479) 8.549 6.198 ( 2.554 -1.619 -9.574) 10.040 6.386 ( -2.496 -4.960 -8.458) 10.118 6.876 ( -6.549 1.717 14.651) 16.140 6.910 ( -3.234 1.137 4.260) 5.468 7.062 ( -5.907 5.332 6.515) 10.284 7.103 ( -1.793 4.662 5.634) 7.529 7.243 ( 0.283 -0.538 11.363) 11.379 7.513 ( -3.011 -1.482 -5.762) 6.668 7.724 ( -3.771 -8.076 -0.269) 8.917 7.921 ( -5.499 -3.691 1.685) 6.834 8.112 ( -10.166 0.053 11.933) 15.677 8.425 ( -0.141 -5.620 -4.619) 7.276 8.497 ( -2.600 2.140 -7.504) 8.225 8.688 ( -7.834 9.734 1.572) 12.593 8.872 ( 7.974 3.289 -4.978) 9.959 9.066 ( -1.759 12.121 -10.930) 16.416 9.989 ( -38.610 -1.436 3.047) 38.756 10.092 ( -48.634 1.114 -1.219) 48.662 10.250 ( -6.594 -0.914 5.967) 8.940 10.518 ( -8.354 -6.496 1.040) 10.633 10.596 ( -4.254 -6.521 -2.451) 8.162 10.829 ( -1.891 -8.143 -3.907) 9.228 11.148 ( -15.553 0.260 2.407) 15.740 11.332 ( -8.897 1.766 -2.923) 9.530 11.518 ( -12.650 -5.498 0.293) 13.796 11.626 ( -17.238 -3.880 -4.583) 18.254 12.140 ( 11.402 -0.903 2.778) 11.771 12.170 ( 16.867 -0.667 1.549) 16.951 12.800 ( 2.304 -1.722 5.034) 5.797 13.018 ( 4.888 -1.030 -1.985) 5.376 13.642 ( 17.554 1.318 4.164) 18.089 13.862 ( 25.363 0.652 -3.738) 25.646 15.171 ( -9.986 1.907 9.141) 13.671 15.820 ( -3.753 3.370 -7.879) 9.356 16.131 ( 8.931 -5.372 1.505) 10.531 16.259 ( -15.216 -5.162 2.512) 16.263 16.326 ( -14.079 -7.816 -4.354) 16.681 16.675 ( -0.868 -2.827 -5.303) 6.072 17.288 ( 2.511 3.579 3.176) 5.404 17.454 ( -3.909 1.722 -2.073) 4.748 18.504 ( -3.551 0.648 5.942) 6.953 18.848 ( -9.207 -2.781 -5.621) 11.140 19.673 ( 14.723 3.478 5.796) 16.201 19.923 ( 14.504 1.487 -3.305) 14.950 25.915 ( -7.881 -7.899 1.561) 11.267 26.019 ( -9.930 -1.731 -2.254) 10.328 26.668 ( 11.508 0.113 3.555) 12.045 26.833 ( 8.343 7.887 -2.469) 11.743 27.918 ( -1.046 -2.946 -0.015) 3.126 27.949 ( 0.929 -1.392 -0.985) 1.941 28.616 ( 12.104 6.025 6.378) 14.950 28.935 ( 13.577 13.608 -4.966) 19.854 30.135 ( -36.521 -5.226 3.515) 37.060 30.372 ( -30.354 -11.101 -4.848) 32.682 31.734 ( 17.547 0.338 1.788) 17.641 31.811 ( 11.778 1.724 -0.841) 11.933 ======================= Grid point 153 (57/108) ======================= q-point: (-0.45 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( -27.937 19.185 -4.308) 34.163 3.655 ( -9.880 3.338 -8.647) 13.548 3.834 ( -13.523 6.157 8.736) 17.237 4.056 ( -1.514 10.158 7.425) 12.673 4.445 ( -1.094 2.030 -14.872) 15.049 4.545 ( -3.752 0.579 -8.784) 9.569 4.731 ( -0.381 9.563 -0.739) 9.599 4.780 ( -3.077 0.550 -0.322) 3.142 4.929 ( -4.970 8.749 3.763) 10.743 5.217 ( -0.361 7.689 0.132) 7.698 5.278 ( 9.451 10.148 1.638) 13.964 5.522 ( 7.417 -2.638 4.618) 9.126 5.725 ( 3.330 1.778 -1.778) 4.173 5.795 ( -8.359 1.603 3.224) 9.102 5.992 ( 0.349 3.257 4.220) 5.342 6.154 ( -1.826 -13.318 1.680) 13.547 6.252 ( 1.530 -2.455 -0.742) 2.987 6.418 ( 1.005 -2.228 -6.920) 7.339 6.603 ( -13.244 7.523 10.001) 18.222 6.823 ( -5.953 1.290 1.811) 6.354 6.916 ( -4.849 4.969 5.110) 8.620 7.035 ( -3.314 1.246 0.138) 3.543 7.208 ( -6.119 -2.228 1.597) 6.705 7.407 ( -7.525 -1.098 -4.304) 8.738 7.656 ( -6.155 9.207 -3.954) 11.760 7.840 ( -11.786 -11.262 3.365) 16.645 8.023 ( -5.022 -3.888 -0.909) 6.416 8.297 ( -15.134 9.788 -6.026) 19.004 8.438 ( -1.101 1.696 3.973) 4.458 8.509 ( -3.347 -7.392 -0.266) 8.119 8.897 ( -1.317 7.378 -7.700) 10.746 9.033 ( -5.433 -1.365 -6.105) 8.285 9.231 ( -33.801 1.165 2.418) 33.908 9.308 ( -32.461 1.247 -0.722) 32.493 10.155 ( -5.049 0.362 8.230) 9.662 10.504 ( -3.817 -7.639 -2.606) 8.928 10.606 ( -2.582 -6.277 -1.292) 6.909 10.830 ( -9.310 -4.029 -4.345) 11.036 10.932 ( -6.478 -7.116 -1.272) 9.707 11.012 ( -22.498 -0.326 -6.669) 23.468 11.291 ( -19.809 -7.930 9.001) 23.158 11.441 ( -9.260 -6.294 3.853) 11.841 12.417 ( 16.656 -2.493 2.837) 17.079 12.501 ( 19.302 -2.199 -0.842) 19.445 12.918 ( 8.795 -0.287 5.864) 10.575 13.098 ( 3.369 -1.792 -1.616) 4.143 13.914 ( 12.786 -0.732 6.738) 14.471 14.250 ( 17.257 -0.157 -5.360) 18.071 15.007 ( -7.700 0.929 3.338) 8.444 15.558 ( -19.496 -0.617 -18.077) 26.595 15.936 ( -20.709 -7.177 1.721) 21.985 16.052 ( -22.717 -10.266 -4.211) 25.282 16.617 ( 25.962 -2.488 6.072) 26.779 16.700 ( 1.553 -3.150 5.980) 6.935 17.280 ( 0.266 1.374 2.087) 2.513 17.376 ( -0.731 0.513 -1.232) 1.522 18.523 ( 5.973 4.189 2.808) 7.817 18.799 ( 0.501 -2.152 -5.878) 6.280 19.871 ( 10.008 1.626 5.787) 11.675 20.107 ( 6.978 0.441 -2.845) 7.549 25.842 ( -7.750 -3.992 1.458) 8.838 25.898 ( -7.233 -8.210 -0.491) 10.953 26.867 ( 9.731 -1.227 0.757) 9.837 26.917 ( 8.212 6.872 -1.039) 10.759 27.913 ( -1.447 -0.537 0.254) 1.564 27.950 ( -0.681 2.076 -0.886) 2.358 28.722 ( 7.141 10.582 4.140) 13.421 28.892 ( -3.966 17.865 -2.026) 18.411 29.575 ( -31.939 -7.328 7.293) 33.570 30.098 ( -11.162 -13.913 -11.076) 20.997 31.974 ( 9.132 0.346 2.062) 9.368 32.029 ( 14.490 -1.973 -0.104) 14.624 ======================= Grid point 154 (58/108) ======================= q-point: (-0.36 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -27.264 22.627 7.433) 36.201 3.273 ( -23.654 19.051 12.725) 32.930 3.548 ( -11.362 6.118 -12.870) 18.225 3.953 ( 1.591 16.565 0.552) 16.650 4.278 ( -12.107 12.743 -0.432) 17.583 4.373 ( -10.184 6.883 -11.563) 16.876 4.609 ( -4.370 9.725 -2.302) 10.907 4.709 ( -2.823 3.712 7.370) 8.722 4.831 ( -1.607 2.557 -6.401) 7.078 5.103 ( -10.952 1.736 9.504) 14.604 5.240 ( -24.942 18.637 14.420) 34.313 5.344 ( 3.150 9.278 -6.926) 11.999 5.578 ( 6.015 7.612 -4.870) 10.855 5.884 ( 2.233 -9.316 2.207) 9.831 6.049 ( 3.930 0.573 4.925) 6.327 6.233 ( 0.494 -2.408 1.536) 2.899 6.291 ( -3.709 -2.614 6.169) 7.658 6.337 ( -1.095 -0.100 -0.519) 1.216 6.485 ( -1.869 -2.881 -4.219) 5.440 6.729 ( -4.889 -2.214 -2.231) 5.812 6.821 ( -2.006 1.417 4.869) 5.453 6.923 ( -6.557 5.059 -5.602) 9.999 7.086 ( -8.318 -1.013 -6.933) 10.876 7.310 ( -5.230 -1.596 -3.608) 6.551 7.376 ( -11.462 7.459 -15.350) 20.558 7.703 ( -14.936 -9.541 -0.621) 17.734 7.902 ( -7.998 0.684 -1.590) 8.183 8.043 ( -3.079 4.625 -4.898) 7.407 8.443 ( -12.311 -2.155 6.812) 14.234 8.509 ( -25.571 -3.404 2.633) 25.931 8.578 ( 7.483 -10.157 2.687) 12.898 8.702 ( -15.100 4.594 -6.902) 17.226 8.979 ( 2.001 1.809 3.761) 4.628 9.296 ( 10.230 -2.009 0.009) 10.426 10.073 ( -3.060 1.896 9.505) 10.164 10.456 ( -9.056 -3.954 -3.142) 10.369 10.536 ( -11.941 -5.317 -4.497) 13.823 10.645 ( -16.209 -2.762 -4.113) 16.950 10.746 ( -6.942 -6.865 2.599) 10.103 10.904 ( -8.286 -5.418 -1.204) 9.973 11.056 ( -9.746 -8.950 8.683) 15.827 11.366 ( -6.828 -8.080 3.295) 11.080 12.734 ( 15.668 -3.510 3.827) 16.506 12.873 ( 18.934 -2.841 -3.251) 19.420 13.082 ( 9.760 0.446 3.507) 10.380 13.207 ( 7.475 -4.275 -1.922) 8.823 14.094 ( 5.955 -2.904 6.165) 9.050 14.423 ( 1.178 -1.206 -5.547) 5.797 14.868 ( -7.652 0.351 -1.244) 7.761 15.162 ( -29.082 -5.285 -19.241) 35.269 15.646 ( -18.686 -6.518 3.291) 20.062 15.802 ( -13.826 -9.548 -1.181) 16.844 16.644 ( -4.315 -4.891 20.431) 21.447 17.163 ( 17.120 -3.194 -4.720) 18.043 17.317 ( 13.246 -0.909 4.114) 13.900 17.464 ( 10.061 0.391 -1.061) 10.125 18.591 ( 6.201 5.810 2.214) 8.781 18.878 ( 6.380 -0.568 -7.622) 9.956 19.988 ( 4.220 0.267 4.483) 6.163 20.150 ( -2.105 -0.476 -1.565) 2.666 25.742 ( -5.631 -1.811 4.014) 7.149 25.892 ( -5.158 -13.683 -1.496) 14.699 26.973 ( 4.538 4.562 0.490) 6.453 27.020 ( 4.430 -1.952 -1.200) 4.987 27.874 ( -2.483 2.541 0.048) 3.553 27.889 ( -3.059 2.513 0.026) 3.959 28.539 ( -15.675 14.131 0.568) 21.112 28.638 ( -6.934 10.647 -4.136) 13.362 29.209 ( -13.398 -1.178 17.080) 21.740 30.173 ( 6.044 -6.368 -19.870) 21.723 32.122 ( 7.311 -2.126 6.257) 9.855 32.301 ( 12.657 -5.293 -1.339) 13.784 ======================= Grid point 155 (59/108) ======================= q-point: (-0.27 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -19.615 23.806 21.960) 37.865 2.569 ( -30.602 24.291 30.982) 49.864 3.241 ( -15.567 9.484 -20.778) 27.641 3.749 ( -6.207 38.200 3.576) 38.866 3.832 ( -4.968 33.187 -2.729) 33.668 4.104 ( -11.371 11.445 1.900) 16.245 4.402 ( -8.331 5.115 -1.329) 9.866 4.619 ( -3.850 2.590 9.671) 10.726 4.672 ( -14.861 1.361 7.263) 16.597 4.788 ( -1.587 2.130 -7.465) 7.923 5.042 ( -0.021 10.661 11.024) 15.335 5.169 ( -10.353 4.546 -9.026) 14.468 5.716 ( 15.322 9.005 -4.579) 18.352 5.879 ( -5.887 -0.592 -14.893) 16.025 6.110 ( 2.421 1.022 -1.012) 2.816 6.179 ( -1.852 4.851 2.110) 5.605 6.245 ( 0.108 1.771 -2.295) 2.901 6.442 ( 0.666 -5.438 0.844) 5.543 6.501 ( -1.213 -10.881 1.511) 11.052 6.655 ( -3.995 2.972 -13.942) 14.805 6.777 ( -0.195 3.980 -1.857) 4.396 6.836 ( 0.067 -1.764 6.735) 6.962 6.982 ( -2.767 -1.838 -6.116) 6.960 7.209 ( -6.086 -5.355 -3.273) 8.743 7.266 ( -2.595 -1.467 -13.547) 13.871 7.486 ( -14.820 -2.647 -5.761) 16.119 7.854 ( 0.744 -3.669 -1.843) 4.173 8.003 ( 1.140 2.692 -7.252) 7.819 8.123 ( -14.380 -2.056 -0.703) 14.543 8.280 ( -12.153 0.598 -0.304) 12.171 8.510 ( -3.994 0.867 8.686) 9.600 8.774 ( 3.283 -5.734 -6.724) 9.427 9.144 ( 15.140 -4.300 15.771) 22.281 9.536 ( 11.526 -8.726 7.865) 16.458 10.012 ( -1.224 3.578 11.001) 11.632 10.271 ( -13.873 -2.890 4.785) 14.957 10.289 ( -18.299 -5.615 8.115) 20.790 10.504 ( -9.176 -5.208 -2.195) 10.777 10.603 ( -6.630 -3.233 -3.121) 8.009 10.914 ( 3.376 -2.562 -6.663) 7.897 11.044 ( -2.281 -5.267 -0.212) 5.743 11.352 ( -4.078 -11.153 -1.793) 12.010 13.000 ( 9.926 -3.733 4.483) 11.514 13.103 ( 4.964 -1.537 -2.774) 5.890 13.324 ( 16.805 -2.098 -2.870) 17.177 13.450 ( 14.148 -4.387 -2.811) 15.077 14.185 ( 0.657 -5.252 2.716) 5.949 14.346 ( -10.393 -3.777 -2.788) 11.404 14.646 ( -32.834 -5.030 -8.282) 34.234 14.735 ( -6.220 0.908 -4.398) 7.672 15.425 ( -11.426 -5.170 5.981) 13.895 15.727 ( -4.584 -7.331 -4.721) 9.851 16.656 ( -0.740 -8.253 29.596) 30.734 17.250 ( 0.516 -3.119 -0.617) 3.221 17.582 ( 8.002 0.386 1.299) 8.116 17.836 ( 23.991 -4.797 -2.773) 24.622 18.632 ( 4.232 5.711 3.392) 7.876 19.006 ( 7.386 0.820 -10.494) 12.859 20.016 ( -0.758 -0.027 1.594) 1.766 20.057 ( -7.556 -0.312 -0.004) 7.562 25.693 ( -2.267 -3.579 7.903) 8.967 25.957 ( -2.711 -16.755 -2.410) 17.144 26.990 ( 1.060 1.762 0.748) 2.188 27.046 ( -3.434 -2.006 -1.283) 4.179 27.784 ( -3.422 2.530 0.737) 4.319 27.826 ( -2.094 2.684 -0.793) 3.495 28.169 ( -11.315 12.193 2.374) 16.803 28.394 ( -7.912 10.307 -8.355) 15.449 29.050 ( -2.851 9.414 22.194) 24.276 30.326 ( 7.178 2.181 -30.924) 31.821 32.282 ( 6.359 -7.060 12.101) 15.386 32.554 ( 8.521 -8.487 -1.576) 12.130 ======================= Grid point 156 (60/108) ======================= q-point: (-0.18 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.000 24.164 31.104) 39.387 2.018 ( 0.000 25.496 46.250) 52.812 2.976 ( 0.000 10.433 -24.182) 26.337 3.160 ( 0.000 59.613 27.532) 65.664 3.542 ( 0.000 32.592 -27.695) 42.770 3.876 ( 0.000 11.744 14.257) 18.471 4.306 ( 0.000 5.226 -5.050) 7.268 4.536 ( -0.000 -1.177 8.278) 8.361 4.572 ( -0.000 -1.389 9.695) 9.794 4.765 ( 0.000 2.162 -4.996) 5.443 4.944 ( 0.000 9.931 13.112) 16.448 5.039 ( 0.000 1.614 -9.957) 10.087 5.783 ( 0.000 5.757 -33.322) 33.816 5.844 ( 0.000 5.184 9.675) 10.976 6.069 ( 0.000 9.215 -32.473) 33.755 6.128 ( 0.000 2.952 2.497) 3.867 6.222 ( 0.000 1.343 -0.478) 1.426 6.456 ( 0.000 0.247 2.407) 2.420 6.560 ( -0.000 -3.877 -0.961) 3.994 6.584 ( 0.000 2.692 -14.857) 15.099 6.788 ( 0.000 2.182 7.040) 7.370 6.877 ( -0.000 -12.303 4.199) 13.000 7.025 ( -0.000 -4.706 -1.262) 4.873 7.215 ( -0.000 -6.008 -3.748) 7.081 7.263 ( -0.000 -1.771 -7.671) 7.873 7.319 ( -0.000 -1.244 -12.691) 12.751 7.955 ( -0.000 -4.370 -4.762) 6.463 7.972 ( -0.000 -3.144 4.255) 5.291 8.013 ( 0.000 3.606 -9.952) 10.585 8.131 ( 0.000 1.234 -2.350) 2.654 8.483 ( -0.000 -1.078 16.297) 16.333 8.817 ( -0.000 -0.309 -8.341) 8.347 9.422 ( -0.000 -9.492 18.172) 20.502 9.791 ( -0.000 -15.648 13.260) 20.511 9.970 ( 0.000 3.358 14.152) 14.545 10.063 ( -0.000 -0.760 17.991) 18.007 10.162 ( -0.000 -4.249 6.025) 7.372 10.473 ( -0.000 -6.640 -4.529) 8.038 10.573 ( -0.000 -0.085 -7.213) 7.214 10.960 ( 0.000 2.167 -14.339) 14.502 11.062 ( -0.000 -4.806 1.210) 4.956 11.418 ( -0.000 -9.182 -11.944) 15.065 13.121 ( -0.000 -3.010 3.443) 4.573 13.157 ( -0.000 -2.150 -0.551) 2.220 13.562 ( -0.000 -1.272 -5.167) 5.322 13.657 ( -0.000 -6.272 -7.781) 9.994 14.203 ( -0.000 -2.891 1.283) 3.163 14.235 ( -0.000 -5.658 -0.383) 5.671 14.322 ( -0.000 -1.816 6.261) 6.519 14.665 ( 0.000 1.348 -5.440) 5.605 15.362 ( -0.000 -4.496 7.364) 8.628 15.744 ( -0.000 -5.542 -6.706) 8.700 16.754 ( -0.000 -14.747 35.105) 38.077 17.287 ( -0.000 -3.972 0.719) 4.037 17.653 ( 0.000 0.179 5.337) 5.340 18.125 ( -0.000 -6.122 -4.460) 7.574 18.627 ( 0.000 5.071 4.467) 6.758 19.077 ( 0.000 1.465 -13.085) 13.167 19.962 ( 0.000 0.375 0.648) 0.749 20.000 ( 0.000 0.539 -0.682) 0.870 25.731 ( -0.000 -8.452 13.156) 15.637 26.095 ( -0.000 -19.243 -2.828) 19.450 26.990 ( -0.000 -0.067 0.160) 0.174 26.999 ( -0.000 -0.142 -0.156) 0.211 27.718 ( 0.000 6.193 0.697) 6.233 27.778 ( 0.000 2.800 -1.564) 3.208 27.974 ( 0.000 7.559 3.026) 8.143 28.217 ( 0.000 12.327 -8.667) 15.068 28.918 ( 0.000 13.133 23.155) 26.620 30.334 ( 0.000 11.908 -40.933) 42.630 32.445 ( -0.000 -13.437 16.164) 21.020 32.718 ( -0.000 -9.526 -0.866) 9.565 ======================= Grid point 161 (61/108) ======================= q-point: ( 0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 13.963 -0.000 10.647) 17.559 3.776 ( 6.653 -0.000 9.072) 11.251 4.324 ( 10.001 -0.000 0.165) 10.003 4.339 ( -16.846 0.000 -1.634) 16.925 4.438 ( -3.462 0.000 -13.401) 13.841 4.560 ( 11.064 -0.000 -5.976) 12.574 4.923 ( 12.492 -0.000 2.075) 12.663 4.983 ( -9.866 0.000 0.463) 9.877 5.016 ( 8.382 -0.000 6.279) 10.473 5.229 ( 8.307 -0.000 2.183) 8.589 5.353 ( -3.729 0.000 -11.537) 12.125 5.465 ( 3.195 -0.000 -10.105) 10.598 5.612 ( 0.216 -0.000 0.877) 0.903 5.692 ( -6.945 0.000 2.052) 7.241 5.937 ( -5.406 0.000 1.678) 5.660 6.062 ( 2.751 -0.000 -15.976) 16.211 6.221 ( -7.935 0.000 -5.156) 9.463 6.293 ( -1.814 0.000 -14.556) 14.668 6.719 ( 11.218 -0.000 11.360) 15.966 7.034 ( 3.741 -0.000 6.844) 7.800 7.118 ( 6.125 -0.000 10.472) 12.132 7.158 ( -1.240 0.000 2.624) 2.903 7.307 ( 3.151 -0.000 8.323) 8.900 7.410 ( -2.729 0.000 4.385) 5.165 7.541 ( -6.679 0.000 7.985) 10.410 8.156 ( 0.794 -0.000 -3.147) 3.245 8.158 ( -8.715 0.000 -8.251) 12.002 8.468 ( 10.183 -0.000 -11.325) 15.230 8.470 ( -9.004 0.000 23.479) 25.146 8.816 ( 2.706 -0.000 -3.818) 4.679 8.911 ( -3.069 0.000 -4.304) 5.286 9.321 ( 1.051 -0.000 -4.481) 4.602 10.164 ( -0.419 0.000 3.848) 3.871 10.414 ( -4.751 0.000 6.622) 8.151 10.451 ( -3.547 0.000 -8.466) 9.180 10.689 ( -2.084 0.000 -1.912) 2.828 10.957 ( -35.103 0.000 0.310) 35.105 10.989 ( -39.905 0.000 -0.885) 39.914 11.368 ( 2.562 -0.000 1.348) 2.895 11.425 ( -8.160 0.000 6.096) 10.186 11.464 ( 12.015 -0.000 -2.406) 12.254 11.846 ( -2.844 0.000 -9.264) 9.690 11.878 ( 16.916 -0.000 5.222) 17.704 12.139 ( -12.514 0.000 -4.081) 13.163 12.850 ( -13.639 0.000 1.160) 13.689 12.908 ( 1.664 -0.000 -0.995) 1.938 13.419 ( 10.311 -0.000 0.620) 10.330 13.454 ( 20.794 -0.000 -0.745) 20.808 15.413 ( -11.707 0.000 12.517) 17.138 15.607 ( 17.668 -0.000 15.881) 23.756 16.162 ( -3.411 0.000 -14.465) 14.862 16.326 ( -5.189 0.000 -7.236) 8.904 16.509 ( -18.164 0.000 1.951) 18.268 16.742 ( -12.864 0.000 -8.668) 15.511 17.236 ( 10.495 -0.000 3.590) 11.092 17.472 ( 7.924 -0.000 -4.859) 9.295 18.699 ( -18.989 0.000 7.818) 20.536 19.061 ( -19.098 0.000 -5.204) 19.794 19.476 ( 15.507 -0.000 4.112) 16.042 19.654 ( 18.514 -0.000 -2.429) 18.672 25.947 ( -8.285 0.000 2.161) 8.562 26.142 ( -5.349 0.000 -6.604) 8.499 26.531 ( 3.861 -0.000 9.250) 10.023 26.857 ( 3.704 -0.000 -4.188) 5.591 27.855 ( 3.447 -0.000 -0.667) 3.511 27.864 ( -0.097 0.000 -0.680) 0.687 28.452 ( 13.469 -0.000 6.909) 15.138 28.803 ( 18.213 -0.000 -5.721) 19.090 30.705 ( -34.644 0.000 1.789) 34.690 30.813 ( -32.310 0.000 -2.020) 32.373 31.409 ( 21.319 -0.000 3.970) 21.685 31.618 ( 14.325 -0.000 -3.369) 14.716 ======================= Grid point 162 (62/108) ======================= q-point: (-0.64 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.755 ( 3.197 1.431 4.414) 5.635 3.855 ( 1.501 -7.419 8.534) 11.407 4.032 ( -16.814 0.552 -0.150) 16.823 4.248 ( -10.422 4.463 -12.817) 17.112 4.524 ( 5.615 0.465 -0.790) 5.690 4.714 ( 5.213 4.516 -3.407) 7.693 4.768 ( -8.176 -0.009 2.155) 8.455 4.953 ( -5.803 7.065 -11.887) 14.996 5.123 ( 11.439 0.795 3.213) 11.909 5.333 ( 5.681 7.894 8.428) 12.870 5.431 ( -2.176 9.258 -2.435) 9.817 5.541 ( 8.351 1.050 -5.655) 10.140 5.588 ( 3.286 -1.645 -1.743) 4.067 5.680 ( 3.466 -12.776 0.126) 13.239 5.898 ( -0.716 1.735 -0.192) 1.887 6.015 ( -7.385 -3.097 -5.869) 9.928 6.175 ( 4.821 1.233 -8.274) 9.655 6.291 ( -2.810 -5.431 -13.653) 14.960 6.867 ( 3.986 -1.043 9.046) 9.940 7.002 ( -6.913 7.205 6.979) 12.182 7.100 ( -2.992 -2.173 6.484) 7.464 7.195 ( 1.698 4.187 4.055) 6.071 7.275 ( -1.808 5.516 13.356) 14.563 7.404 ( -5.592 -7.037 4.166) 9.907 7.503 ( -1.700 -12.284 4.953) 13.354 7.970 ( -7.821 2.085 -6.554) 10.415 8.153 ( -4.359 4.582 5.936) 8.674 8.340 ( -3.965 -3.088 8.341) 9.738 8.543 ( -2.346 1.697 -9.485) 9.917 8.799 ( -4.231 2.780 1.927) 5.417 8.919 ( 6.322 1.680 -2.307) 6.936 9.265 ( -3.627 7.374 -11.711) 14.306 9.959 ( -35.157 -1.067 2.843) 35.288 10.101 ( -47.677 0.087 -2.533) 47.745 10.234 ( -10.600 -0.637 1.959) 10.798 10.424 ( -7.952 -4.059 -5.722) 10.604 10.505 ( -7.798 -2.477 3.599) 8.939 10.697 ( -3.633 -4.884 -0.390) 6.099 11.162 ( -17.308 0.793 4.094) 17.803 11.373 ( -4.822 2.147 -0.913) 5.356 11.439 ( -13.950 -2.853 -1.897) 14.364 11.562 ( -24.591 -2.653 -8.122) 26.033 12.129 ( 10.823 -0.309 2.095) 11.028 12.160 ( 15.744 -0.395 0.279) 15.752 12.784 ( 4.128 -0.287 6.250) 7.496 13.010 ( 5.996 -0.112 -1.070) 6.092 13.662 ( 15.858 0.692 3.574) 16.271 13.871 ( 24.665 0.255 -3.789) 24.956 15.198 ( -10.670 0.899 9.489) 14.308 15.899 ( -7.230 5.266 -8.489) 12.332 16.019 ( 5.165 -6.524 1.163) 8.402 16.198 ( -14.048 -1.931 -3.121) 14.520 16.227 ( -10.161 -2.843 2.735) 10.900 16.640 ( 0.385 -1.025 -4.685) 4.811 17.331 ( 1.151 1.278 2.879) 3.353 17.472 ( -6.079 0.470 -1.270) 6.228 18.520 ( -0.598 0.675 4.548) 4.636 18.816 ( -8.501 -0.885 -5.044) 9.925 19.720 ( 12.871 1.504 5.156) 13.947 19.941 ( 13.769 0.515 -2.932) 14.087 25.817 ( -7.816 -2.862 2.386) 8.659 25.998 ( -9.542 -0.669 -4.534) 10.586 26.673 ( 10.375 0.235 6.120) 12.048 26.935 ( 6.552 3.118 -3.689) 8.140 27.878 ( 0.796 -1.260 0.161) 1.499 27.929 ( 3.892 -0.708 -1.971) 4.420 28.689 ( 14.126 2.154 8.539) 16.646 29.118 ( 19.177 5.954 -6.845) 21.214 30.069 ( -37.868 -2.010 2.231) 37.987 30.218 ( -36.114 -5.165 -3.013) 36.606 31.739 ( 16.483 0.148 2.063) 16.612 31.833 ( 10.580 0.663 -1.211) 10.669 ======================= Grid point 163 (63/108) ======================= q-point: (-0.55 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.623 ( -21.958 8.882 -3.973) 24.017 3.694 ( -6.234 2.883 -3.711) 7.807 3.914 ( -13.031 4.917 1.636) 14.024 4.061 ( 1.369 -6.246 2.688) 6.936 4.519 ( -0.966 5.805 -0.275) 5.891 4.639 ( -1.395 4.304 -2.796) 5.318 4.768 ( -5.632 -1.678 -4.872) 7.634 4.856 ( 4.056 6.465 -2.022) 7.895 5.155 ( -4.678 15.839 2.347) 16.681 5.332 ( 5.537 1.238 -6.254) 8.445 5.380 ( 1.805 4.868 8.367) 9.847 5.524 ( 1.459 2.140 -2.595) 3.666 5.766 ( 4.743 -3.344 -4.369) 7.263 5.819 ( -2.789 3.802 -5.138) 6.974 5.899 ( 3.199 -9.730 3.709) 10.894 5.997 ( 0.940 -3.676 4.694) 6.036 6.242 ( -0.550 -0.747 -0.926) 1.311 6.300 ( 1.261 -6.105 -12.801) 14.238 6.757 ( -10.097 7.634 8.493) 15.244 6.856 ( -4.852 2.229 5.088) 7.376 7.032 ( -4.196 5.410 5.177) 8.584 7.122 ( -3.091 4.959 3.644) 6.887 7.157 ( -9.891 -0.674 3.352) 10.465 7.344 ( -5.056 -3.830 6.885) 9.362 7.597 ( -4.299 -12.406 4.400) 13.847 7.861 ( -5.064 1.498 -9.164) 10.577 7.964 ( -5.912 7.358 10.954) 14.459 8.357 ( -3.058 -5.809 -2.032) 6.872 8.417 ( -7.329 1.578 -5.485) 9.289 8.571 ( -15.943 8.123 0.369) 17.897 9.020 ( -2.312 1.463 -6.290) 6.860 9.068 ( -13.674 9.302 -10.777) 19.740 9.251 ( -26.558 0.598 1.697) 26.618 9.311 ( -33.356 -0.992 0.156) 33.371 10.136 ( -4.878 -2.109 3.643) 6.443 10.369 ( -4.331 -6.646 -2.967) 8.470 10.491 ( -2.134 -5.749 0.914) 6.200 10.703 ( -3.839 -8.960 -1.805) 9.913 10.850 ( -16.179 -1.719 1.492) 16.338 11.013 ( -26.183 0.121 -5.738) 26.805 11.163 ( -22.525 -5.743 5.627) 23.917 11.345 ( -7.483 -3.903 -0.944) 8.492 12.380 ( 15.434 -1.518 2.007) 15.637 12.467 ( 18.619 -1.426 -2.086) 18.790 12.925 ( 10.597 0.700 7.212) 12.838 13.084 ( 2.709 -0.176 0.762) 2.820 13.907 ( 11.311 -0.177 6.338) 12.966 14.249 ( 16.748 0.009 -5.865) 17.746 15.024 ( -8.473 0.865 3.496) 9.207 15.559 ( -22.995 0.628 -17.037) 28.626 15.826 ( -19.665 -4.848 1.196) 20.289 15.896 ( -21.945 -6.772 -2.727) 23.128 16.586 ( 26.934 -0.972 5.881) 27.585 16.654 ( 0.860 -2.004 6.674) 7.022 17.296 ( -2.689 0.524 1.933) 3.354 17.383 ( -0.577 0.274 -1.307) 1.455 18.594 ( 8.436 3.335 0.763) 9.103 18.770 ( 1.452 -1.174 -4.395) 4.775 19.897 ( 8.540 1.210 5.151) 10.047 20.114 ( 6.000 0.279 -2.752) 6.607 25.725 ( -6.912 -5.578 1.979) 9.100 25.847 ( -8.179 -0.992 -2.366) 8.571 26.852 ( 9.266 -0.435 3.329) 9.856 27.018 ( 6.003 4.108 -2.590) 7.721 27.902 ( 0.644 -0.512 0.666) 1.059 27.979 ( 1.351 1.134 -2.359) 2.946 28.879 ( 10.150 6.811 8.089) 14.657 29.211 ( -4.426 17.958 -3.967) 18.916 29.458 ( -32.868 -5.492 4.370) 33.609 29.829 ( -9.854 -16.226 -8.402) 20.760 31.981 ( 8.348 0.398 0.986) 8.415 32.001 ( 11.992 -1.107 0.246) 12.046 ======================= Grid point 164 (64/108) ======================= q-point: (-0.45 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -24.441 20.319 0.841) 31.795 3.505 ( -16.717 8.172 6.471) 19.701 3.602 ( -13.062 1.513 -2.629) 13.410 4.154 ( 4.932 2.621 0.316) 5.594 4.422 ( -4.450 7.029 -12.271) 14.825 4.486 ( -9.489 8.050 -0.130) 12.444 4.738 ( -0.006 -1.767 -0.076) 1.768 4.812 ( -1.653 10.780 -0.050) 10.906 4.957 ( -3.017 11.599 -0.906) 12.019 5.120 ( -20.146 0.884 14.288) 24.714 5.443 ( -2.548 6.080 -14.325) 15.769 5.574 ( 0.353 -2.122 6.389) 6.741 5.675 ( -0.442 10.651 4.239) 11.472 5.804 ( 3.306 2.949 -5.826) 7.318 6.002 ( -0.731 -11.364 2.437) 11.646 6.073 ( 4.536 0.083 7.297) 8.593 6.217 ( -3.117 -4.110 3.381) 6.168 6.410 ( 2.970 -4.809 -8.115) 9.889 6.537 ( -6.764 11.946 4.820) 14.549 6.724 ( -4.716 1.211 1.623) 5.132 6.881 ( -5.575 6.013 4.427) 9.318 6.970 ( -6.331 1.827 4.088) 7.754 7.058 ( -5.337 -1.905 -10.013) 11.505 7.282 ( -4.423 -0.672 3.169) 5.483 7.516 ( -12.872 -7.585 -1.075) 14.980 7.638 ( -10.404 15.463 -17.671) 25.683 7.897 ( -3.773 -2.201 5.455) 6.988 8.128 ( -10.085 4.911 -3.837) 11.855 8.365 ( -5.450 -6.435 0.341) 8.440 8.410 ( -7.412 -5.696 1.772) 9.515 8.511 ( -19.241 1.609 3.235) 19.578 8.792 ( -16.642 4.897 -10.266) 20.158 9.023 ( 1.171 3.549 3.600) 5.190 9.286 ( 8.054 0.068 -0.945) 8.109 10.080 ( -3.077 -1.105 5.783) 6.643 10.363 ( -5.382 -6.762 -3.197) 9.215 10.441 ( -11.629 -4.885 -1.548) 12.708 10.575 ( -19.448 -4.594 -2.896) 20.192 10.633 ( -8.026 -5.116 3.005) 9.981 10.771 ( -11.546 -8.776 1.063) 14.542 10.858 ( -11.269 -12.515 8.083) 18.680 11.249 ( -7.671 -4.167 -3.311) 9.336 12.673 ( 15.036 -2.984 2.853) 15.592 12.831 ( 19.986 -1.862 -4.338) 20.536 13.094 ( 6.906 0.759 3.934) 7.984 13.162 ( 9.170 -1.181 2.268) 9.520 14.049 ( 3.777 -2.085 6.216) 7.567 14.405 ( -0.232 -0.780 -6.282) 6.334 14.877 ( -7.574 0.557 -1.614) 7.764 15.089 ( -30.773 -2.790 -14.432) 34.103 15.542 ( -16.865 -4.863 2.749) 17.766 15.649 ( -11.784 -7.339 -0.230) 13.885 16.593 ( -3.452 -1.436 17.465) 17.861 17.113 ( 18.443 -2.366 -5.266) 19.326 17.300 ( 10.344 -0.865 4.264) 11.221 17.461 ( 7.923 -0.512 -1.743) 8.128 18.694 ( 6.819 5.570 0.487) 8.818 18.865 ( 7.388 -1.030 -5.326) 9.165 19.996 ( 3.613 0.530 3.702) 5.200 20.144 ( -2.457 -0.289 -1.699) 3.001 25.674 ( -5.416 -7.294 1.435) 9.197 25.736 ( -5.799 -2.299 -0.635) 6.271 26.984 ( 4.463 -0.965 1.232) 4.730 27.054 ( 1.560 3.271 -1.216) 3.822 27.902 ( -0.525 1.090 0.272) 1.240 27.935 ( -4.810 2.086 -0.834) 5.309 28.787 ( -20.465 11.719 -1.043) 23.606 28.792 ( -10.798 8.147 -2.830) 13.819 29.200 ( -0.448 0.026 16.132) 16.138 30.023 ( 11.072 -9.734 -14.998) 21.030 32.096 ( 5.305 -0.866 3.592) 6.465 32.220 ( 10.013 -3.684 -1.142) 10.731 ======================= Grid point 165 (65/108) ======================= q-point: (-0.36 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -19.072 23.666 13.123) 33.106 2.966 ( -24.889 20.517 27.541) 42.413 3.358 ( -14.786 4.203 -16.419) 22.492 4.172 ( 3.704 11.011 5.483) 12.846 4.247 ( -5.483 9.873 -0.765) 11.320 4.259 ( -6.490 4.218 -17.006) 18.685 4.573 ( -13.642 15.744 6.933) 21.955 4.728 ( -0.471 5.670 1.883) 5.993 4.780 ( -7.718 9.385 9.237) 15.264 4.851 ( -0.531 6.622 -3.762) 7.634 5.225 ( -11.382 6.649 -13.389) 18.789 5.374 ( -3.760 19.639 6.021) 20.883 5.776 ( 4.492 -5.408 5.510) 8.932 5.899 ( 9.046 5.831 -4.040) 11.496 6.081 ( 1.691 -6.945 4.384) 8.385 6.139 ( -2.062 -11.174 5.006) 12.416 6.237 ( 1.470 -1.170 3.239) 3.744 6.320 ( -4.708 7.257 3.364) 9.282 6.456 ( -1.191 -0.771 -4.772) 4.979 6.680 ( -0.819 1.096 -6.702) 6.841 6.813 ( 0.224 -0.863 6.237) 6.301 6.876 ( -2.471 2.613 0.819) 3.689 6.987 ( -3.172 0.754 -14.299) 14.666 7.196 ( -4.737 3.154 -2.257) 6.122 7.311 ( -6.387 6.649 -19.203) 21.302 7.404 ( -9.431 -1.669 -8.539) 12.832 7.845 ( 0.183 1.492 1.456) 2.092 8.035 ( -2.167 1.334 -2.500) 3.567 8.110 ( -11.534 0.349 -0.864) 11.572 8.284 ( -8.756 -0.353 2.353) 9.073 8.519 ( -5.695 -3.334 -3.786) 7.608 8.623 ( 3.494 -6.862 -2.275) 8.029 9.105 ( 9.094 -0.419 12.499) 15.463 9.437 ( 7.648 -2.880 3.460) 8.874 10.047 ( -1.166 0.293 7.803) 7.895 10.190 ( -16.680 -4.960 3.917) 17.837 10.226 ( -12.869 -2.173 8.850) 15.769 10.395 ( -12.262 -6.559 0.843) 13.932 10.518 ( -5.071 -6.901 -4.236) 9.554 10.760 ( 0.730 -13.271 4.793) 14.128 10.937 ( 1.804 -9.769 -5.993) 11.602 11.154 ( -8.500 -7.329 -5.793) 12.630 12.927 ( 9.208 -4.030 2.647) 10.394 13.090 ( 6.447 0.102 -3.083) 7.147 13.269 ( 13.805 -3.510 -1.482) 14.321 13.413 ( 16.733 -0.650 -0.794) 16.764 14.092 ( -1.631 -4.988 2.869) 5.980 14.280 ( -13.938 -3.403 -3.710) 14.820 14.582 ( -27.179 -2.294 -2.640) 27.404 14.753 ( -5.366 0.986 -4.744) 7.230 15.343 ( -9.682 -3.919 5.135) 11.639 15.595 ( -3.040 -7.062 -3.766) 8.562 16.573 ( -0.650 -2.242 23.442) 23.558 17.205 ( 0.412 -1.982 -2.240) 3.019 17.578 ( 7.375 -0.613 -0.112) 7.401 17.746 ( 20.954 -5.005 -3.286) 21.792 18.738 ( 4.152 6.045 2.406) 7.718 19.007 ( 7.025 -0.512 -7.381) 10.203 20.020 ( -0.265 0.384 1.066) 1.164 20.053 ( -6.737 -0.176 -0.155) 6.741 25.646 ( -2.989 -2.880 2.222) 4.708 25.710 ( -3.035 -10.060 -0.117) 10.509 27.011 ( -1.437 0.235 0.170) 1.466 27.027 ( -2.238 0.070 -0.410) 2.276 27.808 ( -6.019 0.592 1.315) 6.189 27.871 ( -1.185 2.374 -0.924) 2.809 28.403 ( -10.298 12.767 1.064) 16.437 28.562 ( -5.533 9.139 -6.592) 12.553 29.207 ( 2.733 7.648 19.855) 21.452 30.281 ( 8.781 -6.049 -21.772) 24.243 32.192 ( 3.514 -3.390 7.269) 8.756 32.414 ( 6.384 -6.976 -1.981) 9.662 ======================= Grid point 166 (66/108) ======================= q-point: (-0.27 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 0.000 24.321 23.216) 33.622 2.482 ( 0.000 27.139 38.104) 46.781 3.132 ( 0.000 6.828 -18.287) 19.520 4.056 ( 0.000 23.516 -24.450) 33.924 4.117 ( 0.000 40.925 6.590) 41.453 4.123 ( 0.000 14.296 9.488) 17.158 4.246 ( -0.000 -7.670 6.719) 10.197 4.630 ( 0.000 9.561 10.644) 14.308 4.644 ( 0.000 9.347 0.019) 9.347 4.811 ( 0.000 3.663 -7.326) 8.191 5.070 ( 0.000 1.799 -11.982) 12.116 5.177 ( 0.000 17.554 10.345) 20.376 5.834 ( 0.000 0.011 -7.461) 7.461 5.937 ( 0.000 5.100 7.705) 9.240 6.151 ( 0.000 0.400 -9.874) 9.883 6.197 ( 0.000 4.467 2.789) 5.266 6.254 ( 0.000 2.673 1.573) 3.101 6.287 ( -0.000 -22.388 5.769) 23.119 6.460 ( -0.000 -1.937 -2.578) 3.225 6.641 ( 0.000 3.504 -13.567) 14.013 6.831 ( 0.000 2.725 4.589) 5.337 6.833 ( 0.000 2.682 3.900) 4.733 6.950 ( -0.000 -0.794 -11.443) 11.471 7.117 ( -0.000 -0.964 -9.174) 9.224 7.272 ( 0.000 1.509 -9.201) 9.324 7.287 ( -0.000 -2.423 -11.689) 11.938 7.905 ( 0.000 0.476 -6.721) 6.738 7.916 ( -0.000 -3.120 5.549) 6.365 8.078 ( 0.000 3.551 -6.802) 7.673 8.150 ( 0.000 0.904 -4.359) 4.451 8.481 ( -0.000 -0.345 6.989) 6.997 8.746 ( -0.000 -8.346 -7.372) 11.135 9.265 ( -0.000 -6.636 18.463) 19.620 9.575 ( -0.000 -8.202 9.002) 12.178 10.030 ( 0.000 2.095 10.439) 10.647 10.038 ( -0.000 -2.597 15.943) 16.153 10.093 ( -0.000 -2.623 8.169) 8.580 10.344 ( -0.000 -7.580 -3.510) 8.353 10.538 ( -0.000 -4.262 -7.196) 8.363 10.903 ( -0.000 -13.184 4.360) 13.887 11.002 ( 0.000 2.394 -14.988) 15.178 11.164 ( -0.000 -17.518 -4.833) 18.172 13.048 ( -0.000 -4.786 1.663) 5.067 13.141 ( 0.000 0.158 -2.089) 2.095 13.479 ( -0.000 -5.954 -6.789) 9.030 13.622 ( 0.000 0.694 -3.953) 4.014 14.119 ( -0.000 -6.219 -0.248) 6.224 14.126 ( -0.000 -5.980 -0.552) 6.005 14.310 ( 0.000 0.123 8.363) 8.364 14.691 ( 0.000 1.476 -5.708) 5.896 15.287 ( -0.000 -3.695 6.747) 7.692 15.632 ( -0.000 -6.707 -5.817) 8.878 16.600 ( -0.000 -4.432 27.660) 28.013 17.230 ( -0.000 -2.591 -1.152) 2.836 17.651 ( -0.000 -0.673 2.166) 2.268 18.009 ( -0.000 -6.719 -6.113) 9.084 18.726 ( 0.000 5.917 4.077) 7.185 19.083 ( -0.000 -0.418 -9.255) 9.264 19.969 ( 0.000 0.454 0.699) 0.833 20.011 ( 0.000 0.643 -0.744) 0.984 25.643 ( -0.000 -2.788 4.904) 5.641 25.793 ( -0.000 -14.281 -0.958) 14.313 26.989 ( -0.000 -0.054 0.131) 0.141 26.996 ( -0.000 -0.172 -0.125) 0.213 27.754 ( -0.000 -0.248 1.364) 1.386 27.833 ( 0.000 3.184 -1.561) 3.546 28.192 ( 0.000 14.566 2.609) 14.798 28.425 ( 0.000 10.990 -7.897) 13.533 29.143 ( 0.000 11.373 21.783) 24.574 30.401 ( -0.000 -2.345 -28.816) 28.912 32.272 ( -0.000 -6.600 10.908) 12.749 32.548 ( -0.000 -9.136 -1.985) 9.349 ======================= Grid point 173 (67/108) ======================= q-point: (-0.64 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.685 ( -16.066 0.000 0.842) 16.088 3.728 ( -6.786 0.000 2.249) 7.149 3.966 ( 7.569 -0.000 0.788) 7.610 4.002 ( -19.827 0.000 -10.108) 22.255 4.581 ( 1.019 -0.000 6.019) 6.105 4.662 ( -1.650 0.000 1.678) 2.353 4.737 ( -6.106 0.000 -6.257) 8.742 4.942 ( 2.806 -0.000 -4.665) 5.444 5.341 ( 12.086 -0.000 -6.638) 13.789 5.420 ( -4.614 0.000 12.129) 12.977 5.433 ( -4.063 0.000 -8.705) 9.607 5.435 ( -8.510 0.000 2.210) 8.792 5.691 ( 4.584 -0.000 -0.341) 4.596 5.820 ( 10.620 -0.000 -2.879) 11.004 5.862 ( -5.884 0.000 -6.747) 8.952 5.967 ( 6.295 -0.000 4.866) 7.956 6.230 ( 0.306 -0.000 -0.732) 0.794 6.251 ( 1.449 -0.000 -14.626) 14.698 6.831 ( -9.650 0.000 7.038) 11.944 6.898 ( -5.440 0.000 6.848) 8.746 7.026 ( -3.130 0.000 1.178) 3.344 7.154 ( -8.360 0.000 -4.474) 9.482 7.215 ( -8.213 0.000 15.182) 17.261 7.327 ( -3.407 0.000 7.350) 8.101 7.437 ( 3.276 -0.000 10.975) 11.454 7.823 ( -7.306 0.000 -1.080) 7.385 8.188 ( -7.958 0.000 3.336) 8.629 8.205 ( 1.063 -0.000 -3.148) 3.323 8.443 ( -8.816 0.000 -4.976) 10.123 8.646 ( -16.881 0.000 0.800) 16.900 9.033 ( -6.203 0.000 -4.778) 7.830 9.204 ( -6.615 0.000 -15.004) 16.397 9.227 ( -27.375 0.000 3.655) 27.618 9.295 ( -37.135 0.000 0.413) 37.137 10.114 ( -4.904 0.000 0.747) 4.960 10.294 ( -5.532 0.000 -7.612) 9.410 10.439 ( -1.427 0.000 5.045) 5.243 10.607 ( -3.656 0.000 1.341) 3.894 10.839 ( -18.280 0.000 2.116) 18.402 11.014 ( -28.527 0.000 -4.002) 28.806 11.109 ( -23.874 0.000 3.785) 24.172 11.310 ( -5.302 0.000 -3.427) 6.314 12.366 ( 14.927 -0.000 1.696) 15.023 12.454 ( 18.514 -0.000 -2.511) 18.683 12.932 ( 11.177 -0.000 7.591) 13.511 13.083 ( 2.388 -0.000 1.546) 2.845 13.906 ( 10.688 -0.000 6.158) 12.336 14.249 ( 16.568 -0.000 -6.065) 17.643 15.032 ( -8.813 0.000 3.630) 9.532 15.568 ( -24.935 0.000 -16.927) 30.138 15.779 ( -18.771 0.000 1.115) 18.805 15.832 ( -21.241 0.000 -2.120) 21.347 16.579 ( 30.391 -0.000 5.064) 30.810 16.635 ( -2.263 0.000 7.549) 7.881 17.300 ( -3.625 0.000 1.846) 4.069 17.385 ( -0.701 0.000 -1.360) 1.531 18.626 ( 9.596 -0.000 -0.036) 9.596 18.758 ( 1.299 -0.000 -3.661) 3.885 19.909 ( 7.936 -0.000 4.908) 9.331 20.116 ( 5.649 -0.000 -2.682) 6.254 25.674 ( -6.906 0.000 2.480) 7.337 25.838 ( -8.079 0.000 -3.417) 8.772 26.849 ( 9.028 -0.000 4.329) 10.013 27.056 ( 5.082 -0.000 -3.093) 5.949 27.897 ( 1.479 -0.000 0.778) 1.671 27.989 ( 2.134 -0.000 -2.933) 3.628 28.945 ( 12.943 -0.000 10.865) 16.899 29.403 ( -34.140 0.000 2.160) 34.208 29.509 ( 19.507 -0.000 -9.385) 21.647 29.547 ( -34.256 0.000 -2.905) 34.378 31.988 ( 7.034 -0.000 0.532) 7.054 31.988 ( 12.149 -0.000 0.475) 12.158 ======================= Grid point 175 (68/108) ======================= q-point: (-0.55 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( -20.992 8.578 2.450) 22.808 3.583 ( -9.451 1.392 -3.605) 10.211 3.634 ( -17.988 1.784 1.454) 18.135 4.122 ( 7.280 -2.474 -10.168) 12.748 4.544 ( -6.432 3.837 9.431) 12.043 4.606 ( -4.228 5.481 -1.592) 7.103 4.684 ( 0.465 -3.607 0.005) 3.637 4.952 ( -1.447 5.178 3.236) 6.275 5.086 ( -24.349 -1.844 14.753) 28.530 5.209 ( -5.971 12.021 3.279) 13.817 5.464 ( -2.224 -7.774 -7.827) 11.254 5.497 ( 1.908 1.279 -13.616) 13.808 5.765 ( 0.828 -0.836 -6.900) 6.999 5.865 ( 5.526 1.698 1.584) 5.994 5.872 ( -0.443 -1.938 -2.738) 3.384 6.068 ( 2.999 -1.640 3.158) 4.654 6.185 ( -3.515 1.541 3.269) 5.041 6.354 ( 8.127 -1.622 -7.947) 11.482 6.683 ( -5.630 3.833 5.817) 8.957 6.766 ( -7.225 2.778 5.085) 9.261 6.942 ( -9.148 -2.054 -3.925) 10.164 7.011 ( -4.966 5.177 -2.552) 7.614 7.039 ( -6.764 -0.689 9.974) 12.072 7.261 ( -4.752 -3.430 1.615) 6.079 7.477 ( -1.188 3.847 6.374) 7.539 7.740 ( -4.057 -3.971 -2.301) 6.125 7.973 ( -7.786 10.054 -1.878) 12.854 8.185 ( -11.567 0.309 -1.738) 11.701 8.285 ( -6.988 -1.983 -3.487) 8.058 8.327 ( -9.753 -3.224 -6.966) 12.411 8.558 ( -20.975 2.517 4.288) 21.557 8.852 ( -17.398 1.386 -3.191) 17.742 9.097 ( -1.126 3.775 -2.651) 4.748 9.277 ( 7.901 -1.014 -1.035) 8.033 10.051 ( -2.869 -1.129 1.464) 3.413 10.237 ( -4.046 -5.766 -6.230) 9.404 10.383 ( -8.256 -1.337 1.725) 8.540 10.511 ( -21.026 -2.129 -2.383) 21.268 10.576 ( -10.445 -1.135 2.725) 10.854 10.619 ( -4.922 -6.797 1.086) 8.462 10.694 ( -24.072 -4.351 13.255) 27.823 11.211 ( -6.255 -0.720 -7.574) 9.850 12.636 ( 14.723 -1.107 2.412) 14.960 12.808 ( 20.861 -0.632 -4.862) 21.429 13.107 ( 2.265 0.528 4.015) 4.640 13.151 ( 12.439 -0.318 4.439) 13.212 14.023 ( 2.314 -0.748 6.241) 6.698 14.396 ( -1.192 -0.280 -6.827) 6.936 14.885 ( -7.664 0.273 -1.738) 7.863 15.060 ( -31.398 -0.726 -11.781) 33.543 15.482 ( -15.270 -1.776 2.021) 15.506 15.555 ( -10.612 -2.854 -0.083) 10.989 16.580 ( -2.969 -0.270 15.823) 16.102 17.083 ( 19.563 -0.904 -5.259) 20.278 17.289 ( 8.405 -0.345 4.187) 9.396 17.452 ( 6.647 -0.363 -2.086) 6.976 18.781 ( 7.603 4.009 -1.213) 8.680 18.837 ( 7.093 -2.211 -3.078) 8.042 20.004 ( 3.211 0.252 3.284) 4.599 20.140 ( -2.652 -0.097 -1.706) 3.154 25.578 ( -5.362 -2.832 2.402) 6.522 25.718 ( -5.715 -0.388 -2.509) 6.253 26.973 ( 4.559 -0.293 2.504) 5.210 27.094 ( -0.405 1.146 -1.777) 2.153 27.915 ( 0.463 0.394 0.313) 0.684 27.959 ( -5.873 0.671 -1.407) 6.076 28.873 ( -21.459 2.458 0.814) 21.615 28.966 ( -16.172 5.566 -2.232) 17.248 29.212 ( 6.282 1.189 11.977) 13.577 29.870 ( 15.983 -5.840 -11.581) 20.583 32.088 ( 4.413 -0.193 2.230) 4.949 32.175 ( 8.562 -1.316 -0.913) 8.710 ======================= Grid point 176 (69/108) ======================= q-point: (-0.45 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -20.338 16.228 8.252) 27.296 3.266 ( -14.399 11.852 15.795) 24.439 3.410 ( -12.646 2.185 -10.348) 16.485 4.169 ( -19.324 -2.122 11.114) 22.393 4.255 ( 0.121 -1.730 -14.472) 14.576 4.506 ( 1.635 13.086 1.575) 13.281 4.742 ( -0.303 0.679 4.736) 4.794 4.778 ( -3.845 1.380 12.172) 12.839 4.892 ( -4.411 4.494 1.383) 6.447 5.043 ( -1.194 11.621 1.669) 11.801 5.303 ( -16.402 2.637 -15.153) 22.486 5.510 ( -0.309 -7.462 -5.010) 8.993 5.740 ( -0.115 4.725 -2.054) 5.154 5.926 ( 6.304 -2.103 -5.274) 8.484 6.004 ( 5.815 -2.218 4.396) 7.620 6.095 ( -3.499 2.710 5.957) 7.421 6.182 ( 6.433 -3.004 2.543) 7.541 6.447 ( -1.980 4.844 0.036) 5.233 6.485 ( -6.038 4.532 -0.644) 7.577 6.703 ( 0.095 1.203 2.709) 2.966 6.798 ( -5.280 -0.864 3.442) 6.362 6.922 ( -1.134 3.055 -3.179) 4.553 6.983 ( -2.628 -0.514 -6.697) 7.213 7.226 ( -3.044 -4.064 -6.153) 7.978 7.353 ( -2.830 10.600 -0.833) 11.003 7.624 ( -5.338 13.342 -15.120) 20.859 7.850 ( -1.236 -0.916 5.315) 5.533 8.065 ( 0.602 0.645 -4.963) 5.041 8.125 ( -10.820 2.230 1.863) 11.204 8.255 ( -4.236 -2.679 1.541) 5.244 8.388 ( -4.827 -5.794 -2.255) 7.871 8.603 ( -7.288 0.568 -8.765) 11.413 9.120 ( 5.840 1.741 10.616) 12.241 9.409 ( 5.714 -1.046 1.677) 6.046 10.029 ( -1.348 -1.711 3.169) 3.845 10.119 ( -15.914 -2.954 2.963) 16.455 10.201 ( -10.310 -0.617 6.749) 12.338 10.280 ( -9.277 -6.927 -0.921) 11.615 10.356 ( -11.482 -9.320 3.364) 15.167 10.562 ( -0.631 -6.933 5.121) 8.642 10.694 ( -0.217 -13.857 0.099) 13.859 11.109 ( -5.512 -0.109 -12.169) 13.360 12.869 ( 8.754 -2.336 2.028) 9.285 13.108 ( 8.162 1.889 -1.529) 8.516 13.208 ( 12.345 -3.307 -0.926) 12.814 13.408 ( 16.779 -0.078 -0.318) 16.783 14.018 ( -3.672 -3.069 3.065) 5.683 14.231 ( -16.322 -1.976 -4.402) 17.020 14.557 ( -24.256 -0.735 -0.099) 24.268 14.768 ( -4.894 0.632 -4.961) 6.997 15.290 ( -8.143 -1.978 3.892) 9.239 15.491 ( -1.925 -4.334 -3.156) 5.696 16.553 ( -0.601 -0.464 19.925) 19.940 17.179 ( 0.403 -0.980 -3.212) 3.382 17.567 ( 6.372 -0.515 -0.472) 6.410 17.669 ( 19.480 -3.425 -3.561) 20.097 18.838 ( 4.042 4.936 0.881) 6.440 18.988 ( 6.573 -1.641 -4.461) 8.111 20.027 ( 0.007 0.357 0.723) 0.806 20.051 ( -6.250 -0.095 -0.167) 6.253 25.541 ( -3.001 -5.510 2.106) 6.618 25.646 ( -2.989 -0.752 -1.510) 3.432 27.006 ( -0.811 -0.301 0.642) 1.078 27.037 ( -4.035 0.509 -0.437) 4.090 27.813 ( -7.649 0.136 1.920) 7.887 27.906 ( -0.462 1.405 -1.272) 1.951 28.571 ( -9.077 5.713 1.019) 10.773 28.728 ( -4.120 8.694 -6.116) 11.401 29.312 ( 5.312 4.168 16.487) 17.816 30.156 ( 9.564 -6.745 -15.183) 19.170 32.153 ( 2.361 -1.259 4.175) 4.959 32.316 ( 4.910 -3.857 -1.906) 6.528 ======================= Grid point 177 (70/108) ======================= q-point: (-0.36 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 0.000 20.004 15.906) 25.557 2.952 ( 0.000 24.409 25.915) 35.600 3.220 ( 0.000 3.283 -12.403) 12.830 4.047 ( -0.000 -10.680 13.716) 17.383 4.262 ( 0.000 3.992 -23.114) 23.456 4.416 ( 0.000 14.811 4.201) 15.395 4.611 ( 0.000 15.636 8.609) 17.850 4.771 ( 0.000 3.933 -1.495) 4.208 4.813 ( 0.000 5.221 3.451) 6.259 4.939 ( 0.000 12.088 0.959) 12.126 5.101 ( 0.000 1.649 -14.047) 14.144 5.509 ( 0.000 11.246 -4.132) 11.981 5.754 ( -0.000 -8.486 6.472) 10.673 6.018 ( 0.000 3.822 6.443) 7.492 6.020 ( -0.000 -1.300 6.240) 6.374 6.101 ( -0.000 -6.135 -2.544) 6.641 6.257 ( 0.000 2.249 2.831) 3.616 6.331 ( 0.000 5.326 3.955) 6.634 6.417 ( -0.000 -0.868 -3.762) 3.861 6.699 ( 0.000 2.817 -12.231) 12.552 6.786 ( -0.000 -4.416 9.416) 10.400 6.887 ( 0.000 3.635 1.168) 3.818 6.958 ( -0.000 -0.576 -12.595) 12.608 7.227 ( 0.000 10.231 -4.395) 11.135 7.232 ( -0.000 -3.706 -10.387) 11.028 7.428 ( 0.000 16.759 -18.996) 25.332 7.866 ( -0.000 -2.430 6.676) 7.104 7.972 ( 0.000 5.682 -0.115) 5.683 8.127 ( 0.000 1.566 -1.430) 2.121 8.163 ( 0.000 0.619 -6.076) 6.107 8.408 ( -0.000 -9.160 -1.905) 9.356 8.595 ( -0.000 -5.430 -5.554) 7.767 9.199 ( -0.000 -1.290 15.675) 15.728 9.484 ( -0.000 -2.838 4.574) 5.383 9.978 ( -0.000 -3.379 8.406) 9.060 10.037 ( -0.000 -1.139 6.455) 6.555 10.072 ( -0.000 -0.339 15.674) 15.677 10.218 ( -0.000 -6.157 -2.477) 6.636 10.407 ( -0.000 -10.881 -7.046) 12.963 10.648 ( -0.000 -12.591 5.888) 13.900 10.842 ( -0.000 -17.819 -1.319) 17.868 11.040 ( 0.000 1.873 -15.561) 15.673 12.969 ( -0.000 -3.663 0.579) 3.709 13.160 ( 0.000 1.809 1.694) 2.479 13.390 ( -0.000 -4.224 -6.984) 8.162 13.638 ( 0.000 0.898 -4.334) 4.426 14.010 ( -0.000 -5.434 0.073) 5.435 14.029 ( -0.000 -4.838 -0.963) 4.932 14.316 ( 0.000 0.448 8.778) 8.789 14.715 ( 0.000 1.120 -5.901) 6.007 15.235 ( -0.000 -2.140 5.355) 5.767 15.521 ( -0.000 -5.367 -4.917) 7.279 16.557 ( -0.000 -1.093 22.390) 22.417 17.194 ( -0.000 -1.502 -2.308) 2.754 17.632 ( -0.000 -1.220 0.979) 1.564 17.899 ( -0.000 -5.281 -6.910) 8.697 18.830 ( 0.000 5.573 2.745) 6.213 19.066 ( -0.000 -1.471 -5.825) 6.008 19.977 ( 0.000 0.377 0.748) 0.838 20.021 ( 0.000 0.531 -0.805) 0.964 25.572 ( -0.000 -7.220 1.607) 7.397 25.631 ( -0.000 -2.267 -0.282) 2.285 26.988 ( -0.000 -0.011 0.089) 0.089 26.993 ( -0.000 -0.163 -0.082) 0.182 27.745 ( -0.000 -0.471 2.815) 2.854 27.883 ( 0.000 2.359 -1.974) 3.076 28.424 ( 0.000 10.324 1.490) 10.431 28.613 ( 0.000 10.308 -6.883) 12.395 29.308 ( 0.000 7.117 18.613) 19.927 30.305 ( -0.000 -7.113 -19.334) 20.601 32.193 ( -0.000 -2.780 6.227) 6.819 32.408 ( -0.000 -6.338 -2.255) 6.728 ======================= Grid point 186 (71/108) ======================= q-point: (-0.55 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( -21.132 0.000 6.899) 22.229 3.361 ( -11.038 0.000 4.869) 12.064 3.437 ( -9.164 0.000 -4.211) 10.086 4.157 ( -29.925 0.000 19.770) 35.866 4.234 ( 6.097 -0.000 -19.356) 20.293 4.669 ( 3.974 -0.000 1.061) 4.114 4.691 ( 2.341 -0.000 5.907) 6.354 4.780 ( -5.413 0.000 19.311) 20.055 4.927 ( -5.590 0.000 4.974) 7.483 5.174 ( -4.477 0.000 2.482) 5.119 5.342 ( -14.952 0.000 -14.170) 20.600 5.397 ( -0.524 0.000 -10.047) 10.061 5.784 ( 1.472 -0.000 -11.725) 11.817 5.877 ( 1.004 -0.000 -13.387) 13.424 5.996 ( 7.496 -0.000 6.985) 10.246 6.131 ( -3.544 0.000 4.963) 6.098 6.155 ( 9.517 -0.000 5.334) 10.910 6.488 ( 4.279 -0.000 -7.047) 8.244 6.539 ( -10.858 0.000 4.543) 11.770 6.717 ( -0.903 0.000 10.978) 11.015 6.784 ( -6.592 0.000 -1.676) 6.802 6.948 ( -1.609 0.000 -6.917) 7.102 6.993 ( -1.910 0.000 -1.845) 2.655 7.167 ( -2.298 0.000 -5.828) 6.265 7.539 ( 1.258 -0.000 6.237) 6.362 7.669 ( -0.813 0.000 -2.799) 2.915 7.868 ( -5.472 0.000 0.491) 5.494 8.057 ( -1.688 0.000 -8.434) 8.601 8.159 ( -5.653 0.000 -4.589) 7.281 8.250 ( -2.828 0.000 -6.156) 6.774 8.331 ( -7.823 0.000 4.961) 9.263 8.604 ( -10.705 0.000 -5.418) 11.998 9.143 ( 4.390 -0.000 9.017) 10.029 9.395 ( 5.308 -0.000 1.180) 5.438 10.016 ( -0.889 0.000 0.969) 1.315 10.091 ( -14.989 0.000 2.158) 15.144 10.173 ( -5.798 0.000 -4.570) 7.382 10.208 ( -8.719 0.000 -1.879) 8.919 10.276 ( -18.388 0.000 16.619) 24.785 10.523 ( -0.777 0.000 2.839) 2.943 10.539 ( -0.794 0.000 3.843) 3.924 11.111 ( -4.553 0.000 -13.272) 14.031 12.848 ( 8.682 -0.000 2.033) 8.917 13.150 ( 3.920 -0.000 7.596) 8.547 13.154 ( 16.760 -0.000 -9.358) 19.195 13.408 ( 16.574 -0.000 -0.210) 16.575 13.990 ( -4.501 0.000 3.157) 5.498 14.213 ( -17.123 0.000 -4.653) 17.744 14.551 ( -23.446 0.000 0.627) 23.455 14.773 ( -4.753 0.000 -5.032) 6.922 15.273 ( -7.545 0.000 3.313) 8.240 15.451 ( -1.476 0.000 -2.931) 3.282 16.549 ( -0.595 0.000 18.853) 18.863 17.170 ( 0.414 -0.000 -3.538) 3.562 17.563 ( 5.276 -0.000 -0.320) 5.286 17.636 ( 19.704 -0.000 -3.787) 20.065 18.893 ( 3.623 -0.000 -0.411) 3.647 18.963 ( 6.744 -0.000 -2.729) 7.275 20.030 ( 0.197 -0.000 0.594) 0.626 20.050 ( -6.193 0.000 -0.148) 6.195 25.491 ( -2.971 0.000 2.683) 4.003 25.640 ( -2.931 0.000 -2.513) 3.861 27.004 ( -0.586 0.000 0.880) 1.057 27.041 ( -4.688 0.000 -0.485) 4.713 27.814 ( -8.142 0.000 2.144) 8.420 27.919 ( -0.182 0.000 -1.447) 1.458 28.619 ( -8.121 0.000 1.719) 8.301 28.815 ( -4.310 0.000 -6.761) 8.017 29.351 ( 6.005 -0.000 14.919) 16.082 30.087 ( 10.002 -0.000 -12.582) 16.073 32.142 ( 2.049 -0.000 3.156) 3.763 32.282 ( 4.388 -0.000 -1.811) 4.747 ======================= Grid point 188 (72/108) ======================= q-point: (-0.45 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 0.000 8.868 9.524) 13.013 3.256 ( 0.000 0.904 -9.075) 9.120 3.283 ( 0.000 10.876 16.955) 20.144 3.889 ( -0.000 -5.646 19.411) 20.216 4.297 ( 0.000 0.805 -20.404) 20.420 4.643 ( 0.000 10.312 0.668) 10.334 4.736 ( 0.000 1.188 19.691) 19.727 4.771 ( -0.000 -3.826 -1.373) 4.065 4.846 ( 0.000 0.153 8.405) 8.407 5.125 ( 0.000 0.805 -14.935) 14.957 5.151 ( 0.000 9.052 4.498) 10.108 5.429 ( -0.000 -7.509 -8.121) 11.060 5.787 ( 0.000 3.857 -9.459) 10.215 5.910 ( -0.000 -6.613 -13.385) 14.929 6.066 ( 0.000 1.444 6.049) 6.219 6.102 ( 0.000 0.917 7.564) 7.620 6.285 ( 0.000 0.855 4.280) 4.365 6.406 ( 0.000 2.455 4.262) 4.919 6.462 ( 0.000 3.766 -1.120) 3.929 6.722 ( -0.000 -2.364 11.764) 11.999 6.734 ( 0.000 0.974 -11.200) 11.242 6.947 ( -0.000 -0.503 -9.228) 9.242 6.953 ( 0.000 3.015 -2.291) 3.787 7.166 ( -0.000 -2.961 -9.021) 9.494 7.469 ( 0.000 14.261 1.805) 14.375 7.664 ( 0.000 4.143 -7.757) 8.794 7.835 ( -0.000 -0.945 7.393) 7.453 8.058 ( 0.000 3.975 -6.540) 7.654 8.124 ( -0.000 -2.192 -6.270) 6.642 8.171 ( 0.000 0.235 -7.093) 7.097 8.273 ( -0.000 -2.351 2.983) 3.798 8.532 ( -0.000 -2.845 -5.334) 6.045 9.199 ( 0.000 0.649 13.954) 13.969 9.450 ( -0.000 -1.237 2.865) 3.121 9.935 ( -0.000 -1.312 6.248) 6.385 10.011 ( -0.000 -0.728 1.907) 2.041 10.072 ( 0.000 0.194 18.405) 18.406 10.138 ( -0.000 -2.591 -2.459) 3.572 10.202 ( -0.000 -8.941 -6.479) 11.042 10.518 ( -0.000 -2.096 4.058) 4.568 10.585 ( -0.000 -9.550 2.375) 9.841 11.064 ( 0.000 0.714 -15.899) 15.915 12.925 ( -0.000 -1.227 0.886) 1.513 13.197 ( 0.000 1.807 8.554) 8.743 13.328 ( -0.000 -2.402 -12.208) 12.442 13.650 ( 0.000 0.347 -4.521) 4.534 13.941 ( -0.000 -2.116 0.219) 2.128 13.967 ( -0.000 -1.885 -1.061) 2.163 14.322 ( 0.000 0.194 8.916) 8.918 14.728 ( 0.000 0.415 -6.002) 6.017 15.211 ( -0.000 -0.663 4.252) 4.303 15.453 ( -0.000 -2.042 -4.379) 4.832 16.547 ( -0.000 -0.179 20.064) 20.065 17.176 ( -0.000 -0.497 -2.876) 2.918 17.615 ( -0.000 -0.581 0.728) 0.931 17.832 ( -0.000 -2.019 -7.169) 7.448 18.913 ( 0.000 3.242 0.975) 3.386 19.034 ( -0.000 -1.709 -3.183) 3.613 19.982 ( 0.000 0.147 0.779) 0.793 20.028 ( 0.000 0.207 -0.843) 0.868 25.477 ( -0.000 -2.780 2.603) 3.808 25.616 ( -0.000 -0.273 -2.202) 2.219 26.988 ( 0.000 0.037 0.041) 0.055 26.991 ( -0.000 -0.101 -0.034) 0.107 27.739 ( -0.000 -0.165 3.686) 3.690 27.913 ( 0.000 0.883 -2.326) 2.488 28.542 ( 0.000 3.140 1.912) 3.676 28.762 ( 0.000 5.136 -7.532) 9.116 29.394 ( 0.000 2.508 16.090) 16.284 30.196 ( -0.000 -3.955 -13.938) 14.488 32.163 ( -0.000 -0.735 3.855) 3.924 32.331 ( -0.000 -2.252 -2.172) 3.128 ======================= Grid point 250 (73/108) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 0.000 0.000 -42.897) 42.897 1.876 ( 0.000 0.000 42.897) 42.897 2.000 ( 0.000 0.000 -36.624) 36.624 2.000 ( 0.000 0.000 36.624) 36.624 3.911 ( 0.000 0.000 -81.604) 81.604 3.911 ( 0.000 0.000 81.604) 81.604 3.949 ( 0.000 0.000 -9.050) 9.050 3.949 ( 0.000 0.000 9.050) 9.050 4.751 ( 0.000 0.000 -2.033) 2.033 4.751 ( 0.000 0.000 2.033) 2.033 4.806 ( 0.000 0.000 -8.543) 8.543 4.806 ( 0.000 0.000 8.543) 8.543 5.183 ( 0.000 0.000 -17.840) 17.840 5.183 ( 0.000 0.000 17.840) 17.840 6.103 ( 0.000 0.000 -19.934) 19.934 6.103 ( 0.000 0.000 19.934) 19.934 6.140 ( 0.000 0.000 -2.692) 2.692 6.140 ( 0.000 0.000 2.692) 2.692 6.491 ( 0.000 0.000 -3.171) 3.171 6.491 ( 0.000 0.000 3.171) 3.171 7.016 ( 0.000 0.000 -14.089) 14.089 7.016 ( 0.000 0.000 14.089) 14.089 7.030 ( 0.000 0.000 -6.157) 6.157 7.030 ( 0.000 0.000 6.157) 6.157 7.318 ( 0.000 0.000 -5.072) 5.072 7.318 ( 0.000 0.000 5.072) 5.072 8.070 ( 0.000 0.000 -7.235) 7.235 8.070 ( 0.000 0.000 7.235) 7.235 8.086 ( 0.000 0.000 -0.563) 0.563 8.086 ( 0.000 0.000 0.563) 0.563 8.807 ( 0.000 0.000 -0.352) 0.352 8.807 ( 0.000 0.000 0.352) 0.352 9.897 ( 0.000 0.000 -5.052) 5.052 9.897 ( 0.000 0.000 5.052) 5.052 10.424 ( 0.000 0.000 -10.347) 10.347 10.424 ( 0.000 0.000 10.347) 10.347 10.493 ( 0.000 0.000 -12.178) 12.178 10.493 ( 0.000 0.000 12.178) 12.178 10.531 ( 0.000 0.000 -18.859) 18.859 10.531 ( 0.000 0.000 18.859) 18.859 11.031 ( 0.000 0.000 -7.686) 7.686 11.031 ( 0.000 0.000 7.686) 7.686 13.282 ( 0.000 0.000 -4.993) 4.993 13.282 ( 0.000 0.000 4.993) 4.993 13.628 ( 0.000 0.000 -6.274) 6.274 13.628 ( 0.000 0.000 6.274) 6.274 14.314 ( 0.000 0.000 -2.196) 2.196 14.314 ( 0.000 0.000 2.196) 2.196 14.496 ( 0.000 0.000 -6.862) 6.862 14.496 ( 0.000 0.000 6.862) 6.862 15.653 ( 0.000 0.000 -9.257) 9.257 15.653 ( 0.000 0.000 9.257) 9.257 17.409 ( 0.000 0.000 -4.714) 4.714 17.409 ( 0.000 0.000 4.714) 4.714 18.187 ( 0.000 0.000 -2.716) 2.716 18.187 ( 0.000 0.000 2.716) 2.716 18.657 ( 0.000 0.000 -5.002) 5.002 18.657 ( 0.000 0.000 5.002) 5.002 19.972 ( 0.000 0.000 -0.862) 0.862 19.972 ( 0.000 0.000 0.862) 0.862 26.602 ( 0.000 0.000 -1.643) 1.643 26.602 ( 0.000 0.000 1.643) 1.643 26.997 ( 0.000 0.000 -0.255) 0.255 26.997 ( 0.000 0.000 0.255) 0.255 27.420 ( 0.000 0.000 -2.085) 2.085 27.420 ( 0.000 0.000 2.085) 2.085 27.965 ( 0.000 0.000 -0.828) 0.828 27.965 ( 0.000 0.000 0.828) 0.828 29.005 ( 0.000 0.000 -2.813) 2.813 29.005 ( 0.000 0.000 2.813) 2.813 32.975 ( 0.000 0.000 -2.536) 2.536 32.975 ( 0.000 0.000 2.536) 2.536 ======================= Grid point 252 (74/108) ======================= q-point: ( 0.09 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 13.695 -17.297 -33.437) 40.060 2.079 ( 13.695 -17.297 33.437) 40.060 2.294 ( 23.047 -5.858 -29.339) 37.766 2.294 ( 23.047 -5.858 29.339) 37.766 3.955 ( 5.708 -5.107 -27.566) 28.611 3.955 ( 5.708 -5.107 27.566) 28.611 4.226 ( 27.245 1.324 -34.923) 44.314 4.226 ( 27.245 1.324 34.923) 44.314 4.766 ( 1.593 -3.828 -1.013) 4.268 4.766 ( 1.593 -3.828 1.013) 4.268 4.991 ( 15.951 -2.346 -8.902) 18.417 4.991 ( 15.951 -2.346 8.902) 18.417 5.168 ( -1.291 0.289 -16.300) 16.354 5.168 ( -1.291 0.289 16.300) 16.354 6.091 ( -4.053 -0.428 -3.986) 5.701 6.091 ( -4.053 -0.428 3.986) 5.701 6.186 ( 6.448 -1.132 -12.816) 14.392 6.186 ( 6.448 -1.132 12.816) 14.392 6.543 ( 3.280 -1.649 -5.087) 6.273 6.543 ( 3.280 -1.649 5.087) 6.273 6.969 ( -3.225 0.633 -3.503) 4.803 6.969 ( -3.225 0.633 3.503) 4.803 7.071 ( 3.923 -0.226 -11.621) 12.268 7.071 ( 3.923 -0.226 11.621) 12.268 7.327 ( 2.311 1.294 -4.375) 5.114 7.327 ( 2.311 1.294 4.375) 5.114 8.067 ( 4.122 1.890 -3.741) 5.879 8.067 ( 4.122 1.890 3.741) 5.879 8.231 ( 12.634 0.563 -3.015) 13.001 8.231 ( 12.634 0.563 3.015) 13.001 8.784 ( 0.119 4.191 -1.255) 4.376 8.784 ( 0.119 4.191 1.255) 4.376 9.700 ( -21.988 0.522 -18.698) 28.868 9.700 ( -21.988 0.522 18.698) 28.868 10.181 ( -4.723 -1.775 -8.240) 9.662 10.181 ( -4.723 -1.775 8.240) 9.662 10.494 ( 6.696 1.929 -6.960) 9.849 10.494 ( 6.696 1.929 6.960) 9.849 10.907 ( 12.051 4.971 -9.142) 15.922 10.907 ( 12.051 4.971 9.142) 15.922 11.177 ( 17.360 -4.660 -14.571) 23.138 11.177 ( 17.360 -4.660 14.571) 23.138 13.170 ( -12.170 0.605 -5.299) 13.288 13.170 ( -12.170 0.605 5.299) 13.288 13.454 ( -12.015 2.455 -9.996) 15.821 13.454 ( -12.015 2.455 9.996) 15.821 14.388 ( 1.246 1.410 -3.043) 3.578 14.388 ( 1.246 1.410 3.043) 3.578 14.643 ( 17.463 0.401 -0.985) 17.495 14.643 ( 17.463 0.401 0.985) 17.495 15.734 ( 9.977 1.682 -7.989) 12.891 15.734 ( 9.977 1.682 7.989) 12.891 17.376 ( -1.993 3.528 -4.765) 6.255 17.376 ( -1.993 3.528 4.765) 6.255 17.860 ( -28.816 2.823 -5.740) 29.517 17.860 ( -28.816 2.823 5.740) 29.517 18.663 ( -0.457 -1.169 -6.558) 6.677 18.663 ( -0.457 -1.169 6.558) 6.677 20.073 ( 7.593 0.579 -0.409) 7.626 20.073 ( 7.593 0.579 0.409) 7.626 26.351 ( -11.448 8.955 -11.005) 18.231 26.351 ( -11.448 8.955 11.005) 18.231 27.102 ( 4.037 4.993 -7.105) 9.576 27.102 ( 4.037 4.993 7.105) 9.576 27.602 ( 12.031 -7.531 -1.336) 14.257 27.602 ( 12.031 -7.531 1.336) 14.257 27.978 ( 1.979 -2.426 -1.760) 3.592 27.978 ( 1.979 -2.426 1.760) 3.592 29.199 ( 16.130 -8.390 -11.642) 21.590 29.199 ( 16.130 -8.390 11.642) 21.590 32.796 ( -15.777 4.654 -1.375) 16.507 32.796 ( -15.777 4.654 1.375) 16.507 ======================= Grid point 254 (75/108) ======================= q-point: ( 0.18 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 20.509 -22.604 -24.495) 39.136 2.578 ( 20.509 -22.604 24.495) 39.136 2.748 ( 21.168 -7.387 -26.881) 35.003 2.748 ( 21.168 -7.387 26.881) 35.003 4.169 ( 9.255 -10.298 -5.932) 15.063 4.169 ( 9.255 -10.298 5.932) 15.063 4.635 ( 16.057 10.238 -14.691) 24.051 4.635 ( 16.057 10.238 14.691) 24.051 4.970 ( 15.175 -7.937 -15.809) 23.306 4.970 ( 15.175 -7.937 15.809) 23.306 5.122 ( 0.884 3.587 -5.681) 6.776 5.122 ( 0.884 3.587 5.681) 6.776 5.384 ( 23.307 -8.326 -14.520) 28.694 5.384 ( 23.307 -8.326 14.520) 28.694 6.014 ( -6.094 -2.813 -3.202) 7.436 6.014 ( -6.094 -2.813 3.202) 7.436 6.303 ( 5.576 -0.223 -9.521) 11.036 6.303 ( 5.576 -0.223 9.521) 11.036 6.563 ( -1.468 1.555 -5.750) 6.135 6.563 ( -1.468 1.555 5.750) 6.135 6.939 ( 0.746 -0.645 -9.791) 9.840 6.939 ( 0.746 -0.645 9.791) 9.840 7.168 ( 5.664 0.974 -14.981) 16.045 7.168 ( 5.664 0.974 14.981) 16.045 7.411 ( 7.779 -2.917 -0.431) 8.319 7.411 ( 7.779 -2.917 0.431) 8.319 8.146 ( 7.230 5.549 -6.200) 11.023 8.146 ( 7.230 5.549 6.200) 11.023 8.516 ( 18.987 0.526 -1.359) 19.043 8.516 ( 18.987 0.526 1.359) 19.043 8.783 ( 7.547 5.303 -1.711) 9.381 8.783 ( 7.547 5.303 1.711) 9.381 9.305 ( -18.613 2.020 -17.470) 25.608 9.305 ( -18.613 2.020 17.470) 25.608 10.218 ( 3.197 -4.211 -12.605) 13.670 10.218 ( 3.197 -4.211 12.605) 13.670 10.628 ( 9.841 2.204 -3.353) 10.628 10.628 ( 9.841 2.204 3.353) 10.628 10.993 ( 5.325 2.689 -4.738) 7.618 10.993 ( 5.325 2.689 4.738) 7.618 11.520 ( 16.346 1.262 -10.241) 19.331 11.520 ( 16.346 1.262 10.241) 19.331 12.883 ( -18.833 -0.209 -3.288) 19.119 12.883 ( -18.833 -0.209 3.288) 19.119 13.257 ( -6.991 4.388 -7.998) 11.494 13.257 ( -6.991 4.388 7.998) 11.494 14.332 ( -6.117 1.204 -6.593) 9.074 14.332 ( -6.117 1.204 6.593) 9.074 14.945 ( 15.975 1.504 -8.884) 18.341 14.945 ( 15.975 1.504 8.884) 18.341 15.960 ( 17.927 3.833 -5.768) 19.218 15.960 ( 17.927 3.833 5.768) 19.218 17.216 ( -17.808 6.161 -4.511) 19.377 17.216 ( -17.808 6.161 4.511) 19.377 17.391 ( -14.348 -1.952 -2.765) 14.741 17.391 ( -14.348 -1.952 2.765) 14.741 18.666 ( 0.989 0.794 -7.985) 8.085 18.666 ( 0.989 0.794 7.985) 8.085 20.126 ( -1.559 1.222 -3.294) 3.843 20.126 ( -1.559 1.222 3.294) 3.843 26.160 ( -2.615 6.842 -13.122) 15.027 26.160 ( -2.615 6.842 13.122) 15.027 27.042 ( -4.530 5.345 -7.457) 10.232 27.042 ( -4.530 5.345 7.457) 10.232 27.792 ( 5.346 -2.004 -1.318) 5.859 27.792 ( 5.346 -2.004 1.318) 5.859 28.117 ( 4.494 -12.184 -2.281) 13.185 28.117 ( 4.494 -12.184 2.281) 13.185 29.632 ( 25.498 -2.357 -17.480) 31.004 29.632 ( 25.498 -2.357 17.480) 31.004 32.432 ( -19.180 4.294 -4.443) 20.151 32.432 ( -19.180 4.294 4.443) 20.151 ======================= Grid point 256 (76/108) ======================= q-point: ( 0.27 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 21.510 -16.919 -14.430) 30.937 3.135 ( 21.510 -16.919 14.430) 30.937 3.193 ( 20.742 -11.386 -13.642) 27.313 3.193 ( 20.742 -11.386 13.642) 27.313 4.395 ( 6.239 -6.216 -4.624) 9.947 4.395 ( 6.239 -6.216 4.624) 9.947 4.732 ( 5.836 4.849 -4.436) 8.789 4.732 ( 5.836 4.849 4.436) 8.789 5.045 ( 0.089 4.787 -1.966) 5.176 5.045 ( 0.089 4.787 1.966) 5.176 5.270 ( 9.229 -1.473 -13.970) 16.808 5.270 ( 9.229 -1.473 13.970) 16.808 5.781 ( 1.460 -3.906 -6.813) 7.988 5.781 ( 1.460 -3.906 6.813) 7.988 5.976 ( 0.735 -5.325 -5.356) 7.588 5.976 ( 0.735 -5.325 5.356) 7.588 6.436 ( 6.694 -3.597 -8.544) 11.435 6.436 ( 6.694 -3.597 8.544) 11.435 6.543 ( 5.942 -2.642 -8.551) 10.743 6.543 ( 5.942 -2.642 8.551) 10.743 7.013 ( 6.205 -2.271 -12.121) 13.805 7.013 ( 6.205 -2.271 12.121) 13.805 7.192 ( 1.795 7.644 -8.518) 11.585 7.192 ( 1.795 7.644 8.518) 11.585 7.647 ( 11.936 -7.184 -9.536) 16.883 7.647 ( 11.936 -7.184 9.536) 16.883 8.202 ( 4.454 4.941 -9.506) 11.603 8.202 ( 4.454 4.941 9.506) 11.603 8.672 ( 3.146 4.440 -5.727) 7.899 8.672 ( 3.146 4.440 5.727) 7.899 8.967 ( -5.077 4.097 -14.409) 15.817 8.967 ( -5.077 4.097 14.409) 15.817 9.256 ( 34.058 0.415 -1.747) 34.105 9.256 ( 34.058 0.415 1.747) 34.105 10.333 ( 5.327 -4.071 -12.772) 14.425 10.333 ( 5.327 -4.071 12.772) 14.425 10.769 ( 6.983 1.096 -1.852) 7.307 10.769 ( 6.983 1.096 1.852) 7.307 11.095 ( 10.102 3.472 -1.345) 10.767 11.095 ( 10.102 3.472 1.345) 10.767 11.710 ( 8.392 4.293 -3.249) 9.970 11.710 ( 8.392 4.293 3.249) 9.970 12.542 ( -19.792 -0.368 -1.775) 19.875 12.542 ( -19.792 -0.368 1.775) 19.875 13.117 ( -4.635 4.814 -5.797) 8.847 13.117 ( -4.635 4.814 5.797) 8.847 14.129 ( -16.341 0.979 -7.406) 17.968 14.129 ( -16.341 0.979 7.406) 17.968 15.184 ( 13.224 0.647 -14.564) 19.682 15.184 ( 13.224 0.647 14.564) 19.682 16.267 ( 20.680 5.903 -4.549) 21.982 16.267 ( 20.680 5.903 4.549) 21.982 16.799 ( -20.974 1.255 -5.731) 21.779 16.799 ( -20.974 1.255 5.731) 21.779 17.282 ( -4.527 -1.519 -4.103) 6.296 17.282 ( -4.527 -1.519 4.103) 6.296 18.699 ( 5.569 3.539 -8.889) 11.070 18.699 ( 5.569 3.539 8.889) 11.070 19.999 ( -11.584 0.322 -6.035) 13.066 19.999 ( -11.584 0.322 6.035) 13.066 26.115 ( 2.548 4.253 -10.473) 11.588 26.115 ( 2.548 4.253 10.473) 11.588 26.873 ( -9.172 4.451 -5.926) 11.792 26.873 ( -9.172 4.451 5.926) 11.792 27.891 ( 4.728 -1.776 -1.405) 5.242 27.891 ( 4.728 -1.776 1.405) 5.242 28.276 ( -0.716 -14.655 -0.195) 14.674 28.276 ( -0.716 -14.655 0.195) 14.674 30.099 ( 28.897 5.329 -15.158) 33.064 30.099 ( 28.897 5.329 15.158) 33.064 32.076 ( -18.300 1.850 -2.868) 18.616 32.076 ( -18.300 1.850 2.868) 18.616 ======================= Grid point 258 (77/108) ======================= q-point: ( 0.36 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.601 ( 17.113 -11.201 -17.096) 26.656 3.601 ( 17.113 -11.201 17.096) 26.656 3.675 ( 21.099 -11.561 -3.771) 24.352 3.675 ( 21.099 -11.561 3.771) 24.352 4.473 ( 0.283 0.538 -5.000) 5.037 4.473 ( 0.283 0.538 5.000) 5.037 4.744 ( -1.006 4.419 -5.665) 7.255 4.744 ( -1.006 4.419 5.665) 7.255 5.039 ( 3.922 3.246 -5.783) 7.704 5.039 ( 3.922 3.246 5.783) 7.704 5.405 ( 5.042 -1.038 -12.192) 13.234 5.405 ( 5.042 -1.038 12.192) 13.234 5.662 ( -11.033 -0.995 -6.296) 12.742 5.662 ( -11.033 -0.995 6.296) 12.742 5.969 ( -4.990 -3.052 -7.287) 9.345 5.969 ( -4.990 -3.052 7.287) 9.345 6.447 ( -1.025 0.825 -2.119) 2.494 6.447 ( -1.025 0.825 2.119) 2.494 6.873 ( 10.216 -9.296 -12.617) 18.707 6.873 ( 10.216 -9.296 12.617) 18.707 7.130 ( 5.916 5.825 -3.536) 9.024 7.130 ( 5.916 5.825 3.536) 9.024 7.214 ( 7.856 -4.976 -9.644) 13.397 7.214 ( 7.856 -4.976 9.644) 13.397 7.904 ( 10.668 -4.436 -12.251) 16.840 7.904 ( 10.668 -4.436 12.251) 16.840 8.214 ( -0.053 1.197 -8.556) 8.639 8.214 ( -0.053 1.197 8.556) 8.639 8.657 ( 1.248 5.573 -6.975) 9.015 8.657 ( 1.248 5.573 6.975) 9.015 8.816 ( -5.126 5.136 -7.454) 10.402 8.816 ( -5.126 5.136 7.454) 10.402 9.998 ( 41.807 -2.297 -1.251) 41.889 9.998 ( 41.807 -2.297 1.251) 41.889 10.468 ( 6.327 -2.666 -11.642) 13.515 10.468 ( 6.327 -2.666 11.642) 13.515 10.853 ( 5.607 2.228 -3.909) 7.189 10.853 ( 5.607 2.228 3.909) 7.189 11.284 ( 13.736 3.130 -3.278) 14.465 11.284 ( 13.736 3.130 3.278) 14.465 11.744 ( -0.580 4.205 -4.191) 5.965 11.744 ( -0.580 4.205 4.191) 5.965 12.216 ( -16.862 -0.841 -1.080) 16.918 12.216 ( -16.862 -0.841 1.080) 16.918 13.015 ( -1.420 4.658 -4.612) 6.707 13.015 ( -1.420 4.658 4.612) 6.707 13.749 ( -25.037 0.418 -5.121) 25.559 13.749 ( -25.037 0.418 5.121) 25.559 15.420 ( 13.679 -0.710 -17.678) 22.364 15.420 ( 13.679 -0.710 17.678) 22.364 16.395 ( -12.014 2.008 -9.684) 15.561 16.395 ( -12.014 2.008 9.684) 15.561 16.638 ( 15.380 5.999 -7.664) 18.200 16.638 ( 15.380 5.999 7.664) 18.200 17.216 ( -7.044 -5.141 -4.926) 10.015 17.216 ( -7.044 -5.141 4.926) 10.015 18.817 ( 12.866 5.801 -9.067) 16.775 18.817 ( 12.866 5.801 9.067) 16.775 19.734 ( -18.631 -1.608 -7.320) 20.082 19.734 ( -18.631 -1.608 7.320) 20.082 26.161 ( 5.705 2.159 -6.589) 8.979 26.161 ( 5.705 2.159 6.589) 8.979 26.660 ( -10.885 2.908 -3.605) 11.829 26.660 ( -10.885 2.908 3.605) 11.829 27.988 ( 4.538 -0.993 -1.303) 4.825 27.988 ( 4.538 -0.993 1.303) 4.825 28.350 ( -3.795 -11.635 -0.983) 12.277 28.350 ( -3.795 -11.635 0.983) 12.277 30.553 ( 29.339 7.708 -10.326) 32.043 30.553 ( 29.339 7.708 10.326) 32.043 31.743 ( -19.513 -0.772 -0.626) 19.538 31.743 ( -19.513 -0.772 0.626) 19.538 ======================= Grid point 260 (78/108) ======================= q-point: ( 0.45 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.903 ( 6.582 -6.979 -5.493) 11.054 3.903 ( 6.582 -6.979 5.493) 11.054 4.092 ( 16.200 -4.095 -3.194) 17.012 4.092 ( 16.200 -4.095 3.194) 17.012 4.417 ( -4.270 2.778 -4.955) 7.106 4.417 ( -4.270 2.778 4.955) 7.106 4.644 ( -5.078 1.486 -4.268) 6.798 4.644 ( -5.078 1.486 4.268) 6.798 5.099 ( 4.250 1.991 -5.666) 7.358 5.099 ( 4.250 1.991 5.666) 7.358 5.417 ( -3.446 2.458 -4.979) 6.535 5.417 ( -3.446 2.458 4.979) 6.535 5.538 ( -1.842 -1.745 -5.746) 6.281 5.538 ( -1.842 -1.745 5.746) 6.281 5.922 ( -2.764 -2.942 -3.150) 5.120 5.922 ( -2.764 -2.942 3.150) 5.120 6.429 ( -0.379 0.295 -0.851) 0.977 6.429 ( -0.379 0.295 0.851) 0.977 6.927 ( -0.356 2.712 -1.264) 3.013 6.927 ( -0.356 2.712 1.264) 3.013 7.287 ( 7.304 -4.534 -1.240) 8.686 7.287 ( 7.304 -4.534 1.240) 8.686 7.362 ( 1.808 -2.296 -4.656) 5.497 7.362 ( 1.808 -2.296 4.656) 5.497 8.083 ( 6.645 -0.031 -7.725) 10.190 8.083 ( 6.645 -0.031 7.725) 10.190 8.191 ( -2.701 -2.507 -3.619) 5.165 8.191 ( -2.701 -2.507 3.619) 5.165 8.644 ( 3.887 6.599 -6.067) 9.771 8.644 ( 3.887 6.599 6.067) 9.771 8.696 ( -5.471 -0.044 -5.964) 8.094 8.696 ( -5.471 -0.044 5.964) 8.094 10.525 ( 9.042 -5.145 -7.642) 12.909 10.525 ( 9.042 -5.145 7.642) 12.909 10.589 ( 5.430 1.276 -7.334) 9.214 10.589 ( 5.430 1.276 7.334) 9.214 11.050 ( 22.540 3.256 -2.076) 22.868 11.050 ( 22.540 3.256 2.076) 22.868 11.416 ( -4.225 1.911 -1.838) 4.988 11.416 ( -4.225 1.911 1.838) 4.988 11.640 ( -2.872 0.364 -5.955) 6.621 11.640 ( -2.872 0.364 5.955) 6.621 12.005 ( -7.255 -0.576 -5.094) 8.884 12.005 ( -7.255 -0.576 5.094) 8.884 13.029 ( 8.628 3.643 -1.994) 9.576 13.029 ( 8.628 3.643 1.994) 9.576 13.311 ( -22.508 -1.298 -2.605) 22.695 13.311 ( -22.508 -1.298 2.605) 22.695 15.653 ( 9.956 -0.881 -12.850) 16.280 15.653 ( 9.956 -0.881 12.850) 16.280 16.147 ( -10.611 0.804 -10.793) 15.157 16.147 ( -10.611 0.804 10.793) 15.157 16.884 ( 15.939 7.251 -5.117) 18.243 16.884 ( 15.939 7.251 5.117) 18.243 17.108 ( -11.087 -6.944 -4.760) 13.922 17.108 ( -11.087 -6.944 4.760) 13.922 19.046 ( 18.046 5.555 -8.034) 20.520 19.046 ( 18.046 5.555 8.034) 20.520 19.403 ( -20.174 -3.667 -7.412) 21.803 19.403 ( -20.174 -3.667 7.412) 21.803 26.271 ( 7.738 0.417 -2.668) 8.196 26.271 ( 7.738 0.417 2.668) 8.196 26.455 ( -9.730 1.228 -0.866) 9.845 26.455 ( -9.730 1.228 0.866) 9.845 28.055 ( 2.136 -0.081 -0.605) 2.222 28.055 ( 2.136 -0.081 0.605) 2.222 28.364 ( -2.210 -4.559 -0.604) 5.102 28.364 ( -2.210 -4.559 0.604) 5.102 30.989 ( 27.112 6.218 -6.230) 28.505 30.989 ( 27.112 6.218 6.230) 28.505 31.389 ( -23.147 -3.487 -3.118) 23.615 31.389 ( -23.147 -3.487 3.118) 23.615 ======================= Grid point 274 (79/108) ======================= q-point: ( 0.09 0.09 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 24.031 -0.000 -33.925) 41.574 2.351 ( 24.031 -0.000 33.925) 41.574 2.691 ( 23.672 -0.000 -29.602) 37.902 2.691 ( 23.672 -0.000 29.602) 37.902 4.068 ( 9.753 -0.000 -11.058) 14.744 4.068 ( 9.753 -0.000 11.058) 14.744 4.778 ( 3.006 -0.000 -3.680) 4.751 4.778 ( 3.006 -0.000 3.680) 4.751 4.858 ( 34.379 -0.000 -34.498) 48.704 4.858 ( 34.379 -0.000 34.498) 48.704 5.161 ( 0.683 -0.000 -5.922) 5.961 5.161 ( 0.683 -0.000 5.922) 5.961 5.302 ( 20.580 -0.000 -3.474) 20.871 5.302 ( 20.580 -0.000 3.474) 20.871 5.988 ( -6.631 0.000 -3.052) 7.300 5.988 ( -6.631 0.000 3.052) 7.300 6.308 ( 5.942 -0.000 -4.986) 7.756 6.308 ( 5.942 -0.000 4.986) 7.756 6.577 ( -0.027 0.000 -4.577) 4.577 6.577 ( -0.027 0.000 4.577) 4.577 6.929 ( -0.312 0.000 -8.040) 8.046 6.929 ( -0.312 0.000 8.040) 8.046 7.155 ( 6.035 -0.000 -14.903) 16.078 7.155 ( 6.035 -0.000 14.903) 16.078 7.400 ( 6.093 -0.000 -3.932) 7.252 7.400 ( 6.093 -0.000 3.932) 7.252 8.190 ( 6.670 -0.000 -6.715) 9.465 8.190 ( 6.670 -0.000 6.715) 9.465 8.525 ( 20.087 -0.000 -1.498) 20.143 8.525 ( 20.087 -0.000 1.498) 20.143 8.844 ( 6.599 -0.000 -3.757) 7.594 8.844 ( 6.599 -0.000 3.757) 7.594 9.318 ( -18.972 0.000 -19.319) 27.076 9.318 ( -18.972 0.000 19.319) 27.076 10.174 ( 3.178 -0.000 -12.364) 12.766 10.174 ( 3.178 -0.000 12.364) 12.766 10.650 ( 9.032 -0.000 -4.938) 10.293 10.650 ( 9.032 -0.000 4.938) 10.293 11.017 ( 4.388 -0.000 -5.349) 6.918 11.017 ( 4.388 -0.000 5.349) 6.918 11.528 ( 18.249 -0.000 -9.766) 20.697 11.528 ( 18.249 -0.000 9.766) 20.697 12.879 ( -19.237 0.000 -3.180) 19.498 12.879 ( -19.237 0.000 3.180) 19.498 13.301 ( -7.079 0.000 -8.848) 11.331 13.301 ( -7.079 0.000 8.848) 11.331 14.343 ( -6.593 0.000 -6.330) 9.140 14.343 ( -6.593 0.000 6.330) 9.140 14.960 ( 15.758 -0.000 -9.597) 18.451 14.960 ( 15.758 -0.000 9.597) 18.451 15.995 ( 18.162 -0.000 -5.900) 19.097 15.995 ( 18.162 -0.000 5.900) 19.097 17.288 ( -26.447 0.000 -0.606) 26.454 17.288 ( -26.447 0.000 0.606) 26.454 17.359 ( -8.755 0.000 -4.263) 9.737 17.359 ( -8.755 0.000 4.263) 9.737 18.676 ( 2.467 -0.000 -4.085) 4.772 18.676 ( 2.467 -0.000 4.085) 4.772 20.138 ( -1.807 0.000 -2.591) 3.159 20.138 ( -1.807 0.000 2.591) 3.159 26.222 ( -5.976 0.000 -13.540) 14.800 26.222 ( -5.976 0.000 13.540) 14.800 27.112 ( -4.456 0.000 -7.813) 8.994 27.112 ( -4.456 0.000 7.813) 8.994 27.772 ( 7.477 -0.000 -0.568) 7.498 27.772 ( 7.477 -0.000 0.568) 7.498 27.986 ( 1.963 -0.000 -3.184) 3.741 27.986 ( 1.963 -0.000 3.184) 3.741 29.608 ( 30.823 -0.000 -12.224) 33.158 29.608 ( 30.823 -0.000 12.224) 33.158 32.473 ( -21.106 0.000 -4.085) 21.498 32.473 ( -21.106 0.000 4.085) 21.498 ======================= Grid point 276 (80/108) ======================= q-point: ( 0.18 0.09 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 24.971 -9.512 -26.118) 37.365 2.842 ( 24.971 -9.512 26.118) 37.365 3.127 ( 25.545 -1.345 -24.007) 35.081 3.127 ( 25.545 -1.345 24.007) 35.081 4.278 ( 10.519 -4.626 -1.664) 11.611 4.278 ( 10.519 -4.626 1.664) 11.611 4.799 ( 1.711 2.031 -1.099) 2.874 4.799 ( 1.711 2.031 1.099) 2.874 5.146 ( 2.445 4.932 -4.153) 6.895 5.146 ( 2.445 4.932 4.153) 6.895 5.259 ( 8.688 -0.583 -13.267) 15.870 5.259 ( 8.688 -0.583 13.267) 15.870 5.721 ( 11.882 -2.306 -8.138) 14.585 5.721 ( 11.882 -2.306 8.138) 14.585 5.914 ( 4.405 -1.621 -4.992) 6.852 5.914 ( 4.405 -1.621 4.992) 6.852 6.369 ( 1.117 -2.181 -5.868) 6.359 6.369 ( 1.117 -2.181 5.868) 6.359 6.545 ( -0.855 0.715 -2.901) 3.108 6.545 ( -0.855 0.715 2.901) 3.108 6.975 ( 4.509 -1.410 -10.437) 11.456 6.975 ( 4.509 -1.410 10.437) 11.456 7.266 ( 5.257 0.867 -13.857) 14.846 7.266 ( 5.257 0.867 13.857) 14.846 7.562 ( 11.866 -1.899 -4.182) 12.724 7.562 ( 11.866 -1.899 4.182) 12.724 8.251 ( 0.703 0.943 -11.066) 11.129 8.251 ( 0.703 0.943 11.066) 11.129 8.759 ( 5.464 3.755 -9.719) 11.765 8.759 ( 5.464 3.755 9.719) 11.765 9.012 ( -4.045 1.020 -15.886) 16.425 9.012 ( -4.045 1.020 15.886) 16.425 9.267 ( 31.895 0.547 -2.020) 31.964 9.267 ( 31.895 0.547 2.020) 31.964 10.265 ( 5.382 -2.629 -12.834) 14.163 10.265 ( 5.382 -2.629 12.834) 14.163 10.782 ( 5.964 0.373 -2.685) 6.551 10.782 ( 5.964 0.373 2.685) 6.551 11.137 ( 10.162 1.209 -1.569) 10.353 11.137 ( 10.162 1.209 1.569) 10.353 11.759 ( 8.734 1.338 -2.543) 9.194 11.759 ( 8.734 1.338 2.543) 9.194 12.529 ( -20.498 -0.608 -1.267) 20.546 12.529 ( -20.498 -0.608 1.267) 20.546 13.188 ( -4.717 2.455 -6.708) 8.560 13.188 ( -4.717 2.455 6.708) 8.560 14.142 ( -16.613 0.357 -7.120) 18.078 14.142 ( -16.613 0.357 7.120) 18.078 15.194 ( 12.161 0.358 -14.985) 19.302 15.194 ( 12.161 0.358 14.985) 19.302 16.339 ( 20.655 2.093 -4.935) 21.339 16.339 ( 20.655 2.093 4.935) 21.339 16.813 ( -22.644 0.340 -7.035) 23.714 16.813 ( -22.644 0.340 7.035) 23.714 17.262 ( -6.438 -0.584 -4.469) 7.859 17.262 ( -6.438 -0.584 4.469) 7.859 18.754 ( 7.612 1.957 -4.681) 9.148 18.754 ( 7.612 1.957 4.681) 9.148 20.006 ( -12.563 0.310 -5.460) 13.702 20.006 ( -12.563 0.310 5.460) 13.702 26.156 ( -1.242 0.817 -11.184) 11.282 26.156 ( -1.242 0.817 11.184) 11.282 26.973 ( -8.309 4.777 -4.895) 10.762 26.973 ( -8.309 4.777 4.895) 10.762 27.852 ( 2.212 -2.284 -1.639) 3.577 27.852 ( 2.212 -2.284 1.639) 3.577 28.076 ( 3.885 -6.277 -3.589) 8.208 28.076 ( 3.885 -6.277 3.589) 8.208 30.163 ( 31.561 1.854 -14.648) 34.844 30.163 ( 31.561 1.854 14.648) 34.844 32.101 ( -20.462 0.823 -3.153) 20.720 32.101 ( -20.462 0.823 3.153) 20.720 ======================= Grid point 278 (81/108) ======================= q-point: ( 0.27 0.09 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( 20.088 -11.683 -16.448) 28.470 3.341 ( 20.088 -11.683 16.448) 28.470 3.606 ( 26.931 -1.456 -14.537) 30.639 3.606 ( 26.931 -1.456 14.537) 30.639 4.455 ( 4.389 -1.866 -3.051) 5.662 4.455 ( 4.389 -1.866 3.051) 5.662 4.808 ( 0.673 2.188 -5.464) 5.924 4.808 ( 0.673 2.188 5.464) 5.924 5.130 ( 2.690 5.520 -6.081) 8.642 5.130 ( 2.690 5.520 6.081) 8.642 5.354 ( 1.671 -3.997 -13.284) 13.973 5.354 ( 1.671 -3.997 13.284) 13.973 5.666 ( -7.310 1.639 -2.285) 7.832 5.666 ( -7.310 1.639 2.285) 7.832 5.990 ( -2.005 5.719 -6.924) 9.202 5.990 ( -2.005 5.719 6.924) 9.202 6.405 ( -3.535 -5.800 -3.891) 7.828 6.405 ( -3.535 -5.800 3.891) 7.828 6.688 ( 13.007 -8.700 -16.073) 22.433 6.688 ( 13.007 -8.700 16.073) 22.433 7.108 ( 7.153 -4.752 -8.719) 12.237 7.108 ( 7.153 -4.752 8.719) 12.237 7.290 ( 2.422 7.787 -9.700) 12.673 7.290 ( 2.422 7.787 9.700) 12.673 7.822 ( 13.099 -3.927 -8.138) 15.913 7.822 ( 13.099 -3.927 8.138) 15.913 8.218 ( -3.811 -0.829 -12.037) 12.653 8.218 ( -3.811 -0.829 12.037) 12.653 8.738 ( -1.186 3.612 -4.088) 5.583 8.738 ( -1.186 3.612 4.088) 5.583 8.944 ( 0.652 7.442 -3.856) 8.407 8.944 ( 0.652 7.442 3.856) 8.407 9.957 ( 37.604 -2.089 -1.033) 37.676 9.957 ( 37.604 -2.089 1.033) 37.676 10.402 ( 7.044 -3.907 -11.574) 14.101 10.402 ( 7.044 -3.907 11.574) 14.101 10.878 ( 7.057 0.694 -2.235) 7.435 10.878 ( 7.057 0.694 2.235) 7.435 11.335 ( 13.207 2.278 -3.162) 13.770 11.335 ( 13.207 2.278 3.162) 13.770 11.805 ( -2.487 2.572 -7.543) 8.348 11.805 ( -2.487 2.572 7.543) 8.348 12.191 ( -17.710 -1.617 -1.702) 17.865 12.191 ( -17.710 -1.617 1.702) 17.865 13.096 ( -2.029 3.855 -4.630) 6.357 13.096 ( -2.029 3.855 4.630) 6.357 13.758 ( -25.531 0.455 -4.549) 25.937 13.758 ( -25.531 0.455 4.549) 25.937 15.414 ( 13.324 -0.119 -18.308) 22.644 15.414 ( 13.324 -0.119 18.308) 22.644 16.413 ( -15.510 0.359 -12.372) 19.843 16.413 ( -15.510 0.359 12.372) 19.843 16.728 ( 18.503 3.811 -6.937) 20.125 16.728 ( 18.503 3.811 6.937) 20.125 17.137 ( -9.832 -3.415 -4.409) 11.303 17.137 ( -9.832 -3.415 4.409) 11.303 18.914 ( 13.868 4.532 -5.968) 15.763 18.914 ( 13.868 4.532 5.968) 15.763 19.715 ( -19.982 -0.571 -7.111) 21.217 19.715 ( -19.982 -0.571 7.111) 21.217 26.158 ( 0.832 -1.478 -6.542) 6.759 26.158 ( 0.832 -1.478 6.542) 6.759 26.764 ( -8.711 7.082 -1.726) 11.358 26.764 ( -8.711 7.082 1.726) 11.358 27.917 ( 0.622 -6.370 -1.398) 6.551 27.917 ( 0.622 -6.370 1.398) 6.551 28.207 ( 5.694 -4.035 -3.810) 7.951 28.207 ( 5.694 -4.035 3.810) 7.951 30.663 ( 28.397 4.394 -11.553) 30.971 30.663 ( 28.397 4.394 11.553) 30.971 31.733 ( -21.560 -0.321 -0.592) 21.570 31.733 ( -21.560 -0.321 0.592) 21.570 ======================= Grid point 280 (82/108) ======================= q-point: ( 0.36 0.09 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( 12.796 -9.575 -10.509) 19.127 3.729 ( 12.796 -9.575 10.509) 19.127 4.062 ( 21.796 -0.941 -6.188) 22.677 4.062 ( 21.796 -0.941 6.188) 22.677 4.447 ( -5.006 1.128 -1.395) 5.317 4.447 ( -5.006 1.128 1.395) 5.317 4.735 ( -2.662 7.593 -6.021) 10.049 4.735 ( -2.662 7.593 6.021) 10.049 5.171 ( 4.764 3.769 -5.167) 7.975 5.171 ( 4.764 3.769 5.167) 7.975 5.438 ( 0.748 -8.407 -12.488) 15.073 5.438 ( 0.748 -8.407 12.488) 15.073 5.501 ( -5.857 5.881 -3.350) 8.951 5.501 ( -5.857 5.881 3.350) 8.951 5.882 ( -3.341 1.628 -3.726) 5.263 5.882 ( -3.341 1.628 3.726) 5.263 6.381 ( -3.956 -5.334 -3.576) 7.542 6.381 ( -3.956 -5.334 3.576) 7.542 6.949 ( 5.989 -4.662 -8.240) 11.203 6.949 ( 5.989 -4.662 8.240) 11.203 7.243 ( 2.789 -1.035 -2.557) 3.923 7.243 ( 2.789 -1.035 2.557) 3.923 7.299 ( 6.096 0.085 -7.142) 9.390 7.299 ( 6.096 0.085 7.142) 9.390 8.023 ( 2.882 -3.166 -10.451) 11.294 8.023 ( 2.882 -3.166 10.451) 11.294 8.176 ( 0.530 -2.726 -11.101) 11.443 8.176 ( 0.530 -2.726 11.101) 11.443 8.701 ( -0.016 3.259 -3.396) 4.707 8.701 ( -0.016 3.259 3.396) 4.707 8.851 ( -1.218 12.267 -10.070) 15.918 8.851 ( -1.218 12.267 10.070) 15.918 10.408 ( 8.064 -7.337 -8.405) 13.766 10.408 ( 8.064 -7.337 8.405) 13.766 10.579 ( 7.031 -2.015 -7.340) 10.362 10.579 ( 7.031 -2.015 7.340) 10.362 11.101 ( 20.137 2.369 -1.896) 20.365 11.101 ( 20.137 2.369 1.896) 20.365 11.460 ( -7.642 2.978 -2.453) 8.561 11.460 ( -7.642 2.978 2.453) 8.561 11.639 ( -4.862 -0.626 -4.398) 6.586 11.639 ( -4.862 -0.626 4.398) 6.586 11.997 ( -5.300 -0.217 -8.513) 10.030 11.997 ( -5.300 -0.217 8.513) 10.030 13.071 ( 0.803 1.012 -1.308) 1.838 13.071 ( 0.803 1.012 1.308) 1.838 13.319 ( -18.423 1.848 -1.494) 18.575 13.319 ( -18.423 1.848 1.494) 18.575 15.650 ( 12.035 0.358 -15.918) 19.959 15.650 ( 12.035 0.358 15.918) 19.959 16.148 ( -12.606 -0.480 -14.928) 19.544 16.148 ( -12.606 -0.480 14.928) 19.544 16.945 ( -7.279 -3.002 -2.587) 8.288 16.945 ( -7.279 -3.002 2.587) 8.288 17.042 ( 10.612 2.190 -3.601) 11.419 17.042 ( 10.612 2.190 3.601) 11.419 19.143 ( 14.121 4.844 -6.341) 16.219 19.143 ( 14.121 4.844 6.341) 16.219 19.356 ( -18.472 -1.564 -7.366) 19.948 19.356 ( -18.472 -1.564 7.366) 19.948 26.194 ( -1.220 -5.618 -0.843) 5.810 26.194 ( -1.220 -5.618 0.843) 5.810 26.577 ( -3.180 8.844 -2.143) 9.639 26.577 ( -3.180 8.844 2.143) 9.639 27.973 ( -1.503 -7.524 -1.222) 7.770 27.973 ( -1.503 -7.524 1.222) 7.770 28.347 ( 8.822 1.438 -4.548) 10.029 28.347 ( 8.822 1.438 4.548) 10.029 31.087 ( 24.317 4.492 -7.479) 25.835 31.087 ( 24.317 4.492 7.479) 25.835 31.335 ( -25.253 -2.431 -2.198) 25.465 31.335 ( -25.253 -2.431 2.198) 25.465 ======================= Grid point 282 (83/108) ======================= q-point: (-0.55 0.09 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.918 ( -0.677 -2.931 -5.527) 6.292 3.918 ( -0.677 -2.931 5.527) 6.292 4.221 ( -5.838 7.139 -4.663) 10.334 4.221 ( -5.838 7.140 4.663) 10.334 4.359 ( 1.028 -2.438 -5.990) 6.549 4.359 ( 1.028 -2.438 5.990) 6.549 4.697 ( 6.104 6.823 -1.135) 9.225 4.697 ( 6.104 6.823 1.135) 9.225 5.146 ( -3.431 6.324 -4.471) 8.471 5.146 ( -3.431 6.324 4.471) 8.471 5.374 ( -0.369 -2.101 -4.578) 5.051 5.374 ( -0.369 -2.101 4.578) 5.051 5.556 ( 4.186 -0.113 -8.825) 9.768 5.556 ( 4.186 -0.113 8.825) 9.768 5.900 ( 3.874 -4.094 -3.492) 6.630 5.900 ( 3.874 -4.094 3.492) 6.630 6.368 ( -3.125 -5.933 -2.990) 7.342 6.368 ( -3.125 -5.933 2.990) 7.342 6.966 ( -0.020 5.584 -1.078) 5.687 6.966 ( -0.020 5.584 1.078) 5.687 7.306 ( -2.051 -3.200 -0.954) 3.919 7.306 ( -2.051 -3.200 0.954) 3.919 7.371 ( 1.420 0.170 -1.439) 2.029 7.371 ( 1.420 0.170 1.439) 2.029 7.998 ( -6.288 -5.729 -7.576) 11.391 7.998 ( -6.288 -5.729 7.576) 11.391 8.277 ( 5.728 1.007 -5.101) 7.736 8.277 ( 5.728 1.007 5.101) 7.736 8.603 ( -6.967 5.687 -10.337) 13.701 8.603 ( -6.967 5.687 10.337) 13.701 8.768 ( 2.877 6.205 -6.225) 9.248 8.768 ( 2.877 6.205 6.225) 9.248 10.506 ( -3.080 -6.432 -8.325) 10.962 10.506 ( -3.080 -6.432 8.325) 10.962 10.597 ( -7.323 1.360 -8.864) 11.578 10.597 ( -7.323 1.360 8.864) 11.578 10.997 ( -28.649 -2.368 -1.386) 28.780 10.997 ( -28.649 -2.368 1.386) 28.780 11.395 ( 3.033 -0.391 -2.006) 3.657 11.395 ( 3.033 -0.391 2.006) 3.657 11.631 ( -0.696 -0.621 -7.888) 7.943 11.631 ( -0.696 -0.621 7.888) 7.943 12.014 ( 7.041 0.370 -5.034) 8.664 12.014 ( 7.042 0.370 5.034) 8.664 12.957 ( -8.402 -3.984 -1.881) 9.487 12.957 ( -8.402 -3.984 1.881) 9.487 13.356 ( 19.555 3.304 -2.234) 19.958 13.356 ( 19.555 3.304 2.234) 19.958 15.684 ( -8.605 2.613 -11.726) 14.778 15.684 ( -8.605 2.613 11.726) 14.778 16.116 ( 9.049 -2.661 -9.868) 13.651 16.116 ( 9.049 -2.661 9.868) 13.651 16.745 ( -17.278 -7.782 -5.269) 19.668 16.745 ( -17.278 -7.782 5.269) 19.668 17.229 ( 11.063 6.134 -5.624) 13.843 17.229 ( 11.063 6.134 5.624) 13.843 18.961 ( -19.260 -3.846 -8.997) 21.603 18.961 ( -19.260 -3.846 8.997) 21.603 19.478 ( 19.246 4.437 -6.619) 20.830 19.478 ( 19.246 4.437 6.619) 20.830 26.170 ( -8.274 -7.417 -1.782) 11.253 26.170 ( -8.274 -7.417 1.782) 11.253 26.545 ( 8.042 7.740 -3.361) 11.656 26.545 ( 8.042 7.740 3.361) 11.656 27.993 ( -2.879 -5.584 -1.021) 6.365 27.993 ( -2.879 -5.584 1.021) 6.365 28.484 ( 10.804 7.386 -5.058) 14.031 28.484 ( 10.804 7.386 5.058) 14.031 30.878 ( -30.039 -5.931 -4.634) 30.968 30.878 ( -30.039 -5.931 4.634) 30.968 31.451 ( 20.577 3.318 -4.152) 21.252 31.451 ( 20.577 3.318 4.152) 21.252 ======================= Grid point 284 (84/108) ======================= q-point: (-0.45 0.09 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( -19.771 4.412 -6.474) 21.267 3.694 ( -19.771 4.412 6.474) 21.267 4.009 ( -5.866 19.176 -2.321) 20.187 4.009 ( -5.866 19.176 2.321) 20.187 4.403 ( -1.445 -6.627 -3.358) 7.569 4.403 ( -1.445 -6.627 3.358) 7.569 4.722 ( 1.058 2.797 -4.234) 5.183 4.722 ( 1.058 2.797 4.234) 5.183 5.041 ( -1.982 3.716 -4.719) 6.325 5.041 ( -1.982 3.716 4.719) 6.325 5.410 ( -0.761 -0.028 -8.069) 8.105 5.410 ( -0.761 -0.028 8.069) 8.105 5.670 ( 10.256 -0.395 -7.129) 12.497 5.670 ( 10.256 -0.395 7.129) 12.497 6.022 ( 6.190 0.221 -5.466) 8.261 6.022 ( 6.190 0.221 5.466) 8.261 6.377 ( -2.150 -6.706 -3.243) 7.753 6.377 ( -2.150 -6.706 3.243) 7.753 6.931 ( 0.066 1.268 -3.253) 3.492 6.931 ( 0.066 1.268 3.253) 3.492 7.166 ( -12.159 6.098 -6.012) 14.872 7.166 ( -12.159 6.098 6.012) 14.872 7.295 ( -8.641 3.956 -4.626) 10.570 7.295 ( -8.641 3.956 4.626) 10.570 7.926 ( -7.254 -2.933 -11.980) 14.309 7.926 ( -7.254 -2.933 11.980) 14.309 8.248 ( -4.656 6.978 -8.022) 11.607 8.248 ( -4.656 6.978 8.022) 11.607 8.530 ( -0.530 -7.531 -5.265) 9.204 8.530 ( -0.530 -7.531 5.265) 9.204 8.800 ( 4.780 2.468 -5.421) 7.637 8.800 ( 4.780 2.468 5.421) 7.637 10.034 ( -44.892 1.664 -1.504) 44.948 10.034 ( -44.892 1.664 1.504) 44.948 10.477 ( -5.781 -1.904 -9.909) 11.629 10.477 ( -5.781 -1.904 9.909) 11.629 10.793 ( -3.966 -4.604 -6.337) 8.780 10.793 ( -3.966 -4.604 6.337) 8.780 11.237 ( -15.304 -1.763 -4.091) 15.939 11.237 ( -15.304 -1.763 4.091) 15.939 11.657 ( -3.154 -5.622 -2.163) 6.800 11.657 ( -3.154 -5.622 2.163) 6.800 12.213 ( 14.793 -1.219 -0.739) 14.862 12.213 ( 14.793 -1.219 0.739) 14.862 12.950 ( 2.820 -2.344 -5.138) 6.313 12.950 ( 2.820 -2.344 5.138) 6.313 13.747 ( 23.691 0.177 -5.478) 24.317 13.747 ( 23.691 0.177 5.478) 24.317 15.442 ( -14.414 1.722 -17.218) 22.521 15.442 ( -14.414 1.722 17.218) 22.521 16.331 ( 2.186 -5.384 -5.794) 8.206 16.331 ( 2.186 -5.384 5.794) 8.206 16.535 ( -5.923 -5.048 -9.724) 12.455 16.535 ( -5.923 -5.048 9.724) 12.455 17.306 ( 3.635 4.761 -4.901) 7.739 17.306 ( 3.635 4.761 4.901) 7.739 18.728 ( -10.614 -3.936 -9.744) 14.936 18.728 ( -10.614 -3.936 9.744) 14.936 19.771 ( 16.720 2.475 -6.910) 18.260 19.771 ( 16.720 2.475 6.910) 18.260 26.076 ( -8.478 -6.552 -2.332) 10.966 26.076 ( -8.478 -6.552 2.332) 10.966 26.676 ( 11.359 3.821 -0.164) 11.986 26.676 ( 11.359 3.821 0.164) 11.986 27.972 ( -3.381 -2.166 -0.912) 4.117 27.972 ( -3.381 -2.166 0.912) 4.117 28.576 ( 9.275 12.933 -4.530) 16.548 28.576 ( 9.275 12.933 4.530) 16.548 30.400 ( -31.140 -9.145 -8.352) 33.512 30.400 ( -31.140 -9.145 8.352) 33.512 31.760 ( 17.001 1.093 -1.239) 17.081 31.760 ( 17.001 1.093 1.239) 17.081 ======================= Grid point 286 (85/108) ======================= q-point: (-0.36 0.09 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( -21.067 7.269 -16.723) 27.862 3.270 ( -21.067 7.269 16.723) 27.862 3.644 ( -10.715 28.722 -8.206) 31.734 3.644 ( -10.715 28.722 8.206) 31.734 4.401 ( -5.254 -6.286 -2.545) 8.579 4.401 ( -5.254 -6.286 2.545) 8.579 4.693 ( -3.590 1.876 -6.250) 7.448 4.693 ( -3.590 1.876 6.250) 7.448 5.005 ( 0.085 0.276 -6.386) 6.392 5.005 ( 0.085 0.276 6.386) 6.392 5.334 ( -4.085 5.866 -11.515) 13.553 5.334 ( -4.085 5.866 11.515) 13.553 5.836 ( 4.269 1.375 -4.522) 6.369 5.836 ( 4.269 1.375 4.522) 6.369 6.084 ( 3.615 5.710 -8.413) 10.792 6.084 ( 3.615 5.710 8.413) 10.792 6.408 ( -1.253 -5.815 -4.206) 7.285 6.408 ( -1.253 -5.815 4.206) 7.285 6.716 ( -20.254 14.884 -19.442) 31.777 6.716 ( -20.254 14.884 19.442) 31.777 6.976 ( -3.372 -7.639 -3.040) 8.886 6.976 ( -3.372 -7.639 3.040) 8.886 7.107 ( -6.989 1.522 -6.504) 9.667 7.107 ( -6.989 1.522 6.504) 9.667 7.766 ( -10.365 4.183 -12.710) 16.926 7.766 ( -10.365 4.183 12.710) 16.926 8.105 ( -8.973 -3.541 -5.323) 11.017 8.105 ( -8.973 -3.541 5.323) 11.017 8.604 ( 0.550 -4.646 -2.265) 5.198 8.604 ( 0.550 -4.646 2.265) 5.198 8.891 ( 2.759 -3.134 -10.950) 11.719 8.891 ( 2.759 -3.134 10.950) 11.719 9.258 ( -34.743 0.764 -1.602) 34.788 9.258 ( -34.743 0.764 1.602) 34.788 10.380 ( -5.346 0.736 -11.402) 12.615 10.380 ( -5.346 0.736 11.402) 12.615 10.742 ( -7.294 -2.020 -3.807) 8.472 10.742 ( -7.294 -2.020 3.807) 8.472 11.018 ( -11.141 -5.019 -1.247) 12.282 11.018 ( -11.141 -5.019 1.247) 12.282 11.603 ( -9.424 -7.798 -3.385) 12.692 11.603 ( -9.424 -7.798 3.385) 12.692 12.527 ( 18.376 -2.217 -1.864) 18.603 12.527 ( 18.376 -2.217 1.864) 18.603 13.049 ( 5.386 -2.210 -4.807) 7.550 13.049 ( 5.386 -2.210 4.807) 7.550 14.110 ( 15.730 -1.151 -7.838) 17.612 14.110 ( 15.730 -1.151 7.838) 17.612 15.176 ( -14.853 -0.152 -13.790) 20.269 15.176 ( -14.853 -0.152 13.790) 20.269 16.138 ( -20.498 -8.307 -3.664) 22.418 16.138 ( -20.498 -8.307 3.664) 22.418 16.768 ( 18.524 -2.136 -4.044) 19.081 16.768 ( 18.524 -2.136 4.044) 19.081 17.311 ( 1.728 1.621 -3.219) 3.997 17.311 ( 1.728 1.621 3.219) 3.997 18.650 ( -1.850 -1.699 -9.460) 9.788 18.650 ( -1.850 -1.699 9.460) 9.788 19.999 ( 10.084 0.304 -6.142) 11.811 19.999 ( 10.084 0.304 6.142) 11.811 26.007 ( -6.130 -7.398 -5.950) 11.301 26.007 ( -6.130 -7.398 5.950) 11.301 26.846 ( 9.897 1.135 -3.032) 10.413 26.846 ( 9.897 1.135 3.032) 10.413 27.915 ( -3.521 0.980 -0.971) 3.782 27.915 ( -3.521 0.980 0.971) 3.782 28.550 ( 1.436 15.681 -1.717) 15.840 28.550 ( 1.436 15.681 1.717) 15.840 29.978 ( -24.985 -8.248 -14.860) 30.218 29.978 ( -24.985 -8.248 14.860) 30.218 32.042 ( 15.166 -1.802 -2.179) 15.427 32.042 ( 15.166 -1.802 2.179) 15.427 ======================= Grid point 288 (86/108) ======================= q-point: (-0.27 0.09 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -19.032 9.825 -24.806) 32.773 2.844 ( -19.032 9.825 24.806) 32.773 3.157 ( -12.480 33.366 -15.875) 39.001 3.157 ( -12.480 33.366 15.875) 39.001 4.325 ( -7.151 0.487 -5.261) 8.891 4.325 ( -7.151 0.487 5.261) 8.891 4.517 ( -14.029 2.533 -17.907) 22.889 4.517 ( -14.029 2.533 17.907) 22.889 5.015 ( -3.565 -2.971 -12.897) 13.707 5.015 ( -3.565 -2.971 12.897) 13.707 5.189 ( -1.670 12.029 -9.987) 15.724 5.189 ( -1.670 12.029 9.987) 15.724 5.561 ( -25.720 10.855 -24.741) 37.303 5.561 ( -25.720 10.855 24.741) 37.303 6.089 ( 4.078 5.732 -4.183) 8.184 6.089 ( 4.078 5.732 4.183) 8.184 6.339 ( -4.811 3.972 -12.508) 13.977 6.339 ( -4.811 3.972 12.508) 13.977 6.518 ( 1.464 -3.661 -4.675) 6.116 6.518 ( 1.464 -3.661 4.675) 6.116 6.942 ( -2.886 -0.683 -8.352) 8.863 6.942 ( -2.886 -0.683 8.352) 8.863 7.071 ( -3.434 -8.364 -10.720) 14.024 7.071 ( -3.434 -8.364 10.720) 14.024 7.513 ( -11.686 6.392 -9.257) 16.221 7.513 ( -11.686 6.392 9.257) 16.221 8.003 ( -8.311 -8.670 -4.204) 12.725 8.003 ( -8.311 -8.670 4.204) 12.725 8.514 ( -19.196 0.054 -1.851) 19.285 8.514 ( -19.196 0.054 1.851) 19.285 8.700 ( -6.396 -4.080 -2.345) 7.941 8.700 ( -6.396 -4.080 2.345) 7.941 9.244 ( 16.388 -4.346 -13.722) 21.811 9.244 ( 16.388 -4.346 13.722) 21.811 10.287 ( -3.216 2.723 -11.793) 12.523 10.287 ( -3.216 2.723 11.793) 12.523 10.582 ( -11.297 -2.686 -0.827) 11.641 10.582 ( -11.297 -2.686 0.827) 11.641 10.925 ( -6.445 -4.845 -3.927) 8.969 10.925 ( -6.445 -4.845 3.927) 8.969 11.462 ( -13.686 -5.869 -9.790) 17.821 11.462 ( -13.686 -5.869 9.790) 17.821 12.870 ( 17.558 -2.148 -2.911) 17.927 12.870 ( 17.558 -2.148 2.911) 17.927 13.179 ( 7.227 -3.386 -5.599) 9.749 13.179 ( 7.227 -3.386 5.599) 9.749 14.302 ( 4.842 -2.083 -7.275) 8.984 14.302 ( 4.842 -2.083 7.275) 8.984 14.915 ( -16.335 -1.725 -7.063) 17.880 14.915 ( -16.335 -1.725 7.063) 17.880 15.865 ( -17.177 -6.720 -5.185) 19.160 15.865 ( -17.177 -6.720 5.185) 19.160 17.100 ( 11.840 -6.450 -8.240) 15.802 17.100 ( 11.840 -6.450 8.240) 15.802 17.413 ( 14.019 0.539 -2.903) 14.326 17.413 ( 14.019 0.539 2.903) 14.326 18.664 ( 2.402 0.885 -9.389) 9.732 18.664 ( 2.402 0.885 9.389) 9.732 20.104 ( 1.088 -1.119 -3.951) 4.248 20.104 ( 1.088 -1.119 3.951) 4.248 26.003 ( -2.644 -9.947 -9.280) 13.858 26.003 ( -2.644 -9.947 9.280) 13.858 26.983 ( 5.222 -1.051 -4.737) 7.128 26.983 ( 5.222 -1.051 4.737) 7.128 27.836 ( -3.556 2.742 -1.160) 4.637 27.836 ( -3.556 2.742 1.160) 4.637 28.347 ( -9.136 12.945 -2.759) 16.083 28.347 ( -9.136 12.945 2.759) 16.083 29.671 ( -14.115 1.452 -22.849) 26.897 29.671 ( -14.115 1.452 22.849) 26.897 32.339 ( 15.011 -5.719 -4.672) 16.729 32.339 ( 15.011 -5.719 4.672) 16.729 ======================= Grid point 290 (87/108) ======================= q-point: (-0.18 0.09 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -17.905 13.340 -26.892) 34.954 2.412 ( -17.905 13.340 26.892) 34.954 2.643 ( -10.736 34.861 -24.031) 43.681 2.643 ( -10.736 34.861 24.031) 43.681 4.123 ( -8.523 12.307 -18.499) 23.798 4.123 ( -8.523 12.307 18.499) 23.798 4.196 ( -17.854 -0.438 -29.178) 34.210 4.196 ( -17.854 -0.438 29.178) 34.210 4.857 ( -7.471 4.063 -3.139) 9.065 4.857 ( -7.471 4.063 3.139) 9.065 5.054 ( -11.012 4.122 -11.580) 16.503 5.054 ( -11.012 4.122 11.580) 16.503 5.222 ( 2.059 9.405 -17.282) 19.783 5.222 ( 2.059 9.405 17.282) 19.783 6.109 ( 1.668 1.784 -4.823) 5.406 6.109 ( 1.668 1.784 4.823) 5.406 6.231 ( -3.881 3.918 -11.637) 12.878 6.231 ( -3.881 3.918 11.637) 12.878 6.566 ( -0.039 -0.350 -5.162) 5.174 6.566 ( -0.039 -0.350 5.162) 5.174 6.943 ( 1.647 -2.022 -5.216) 5.831 6.943 ( 1.647 -2.022 5.216) 5.831 7.060 ( -3.715 -2.766 -14.386) 15.113 7.060 ( -3.715 -2.766 14.386) 15.113 7.307 ( -6.628 0.033 -2.738) 7.172 7.307 ( -6.628 0.033 2.738) 7.172 7.980 ( -2.607 -7.847 -1.917) 8.488 7.980 ( -2.607 -7.847 1.917) 8.488 8.212 ( -13.311 -1.298 -2.453) 13.597 8.212 ( -13.311 -1.298 2.453) 13.597 8.700 ( -0.173 -3.696 -2.955) 4.735 8.700 ( -0.173 -3.696 2.955) 4.735 9.645 ( 21.740 -6.250 -15.886) 27.642 9.645 ( 21.740 -6.250 15.886) 27.642 10.235 ( 1.634 3.506 -11.273) 11.918 10.235 ( 1.634 3.506 11.273) 11.918 10.440 ( -7.399 -3.711 -3.437) 8.963 10.440 ( -7.399 -3.711 3.437) 8.963 10.805 ( -14.581 -5.426 -6.948) 17.039 10.805 ( -14.581 -5.426 6.948) 17.039 11.247 ( -11.165 1.290 -13.035) 17.211 11.247 ( -11.165 1.290 13.035) 17.211 13.139 ( 9.476 -3.244 -3.739) 10.691 13.139 ( 9.476 -3.244 3.739) 10.691 13.390 ( 12.937 -3.635 -7.680) 15.478 13.390 ( 12.937 -3.635 7.680) 15.478 14.341 ( -3.004 -3.699 -3.494) 5.909 14.341 ( -3.004 -3.699 3.494) 5.909 14.632 ( -15.387 -0.610 -2.398) 15.585 14.632 ( -15.387 -0.610 2.398) 15.585 15.678 ( -9.377 -4.569 -7.974) 13.129 15.678 ( -9.377 -4.569 7.974) 13.129 17.268 ( 2.202 -7.832 -6.644) 10.504 17.268 ( 2.202 -7.832 6.644) 10.504 17.786 ( 21.597 -4.699 -9.727) 24.148 17.786 ( 21.597 -4.699 9.727) 24.148 18.702 ( 3.550 3.156 -9.951) 11.027 18.702 ( 3.550 3.156 9.951) 11.027 20.059 ( -6.426 -0.870 -0.885) 6.545 20.059 ( -6.426 -0.870 0.885) 6.545 26.109 ( 2.435 -15.467 -10.629) 18.924 26.109 ( 2.435 -15.467 10.629) 18.924 27.031 ( -1.694 -2.202 -3.590) 4.539 27.031 ( -1.694 -2.202 3.590) 4.539 27.735 ( -4.445 5.666 -1.687) 7.397 27.735 ( -4.445 5.666 1.687) 7.397 28.072 ( -8.629 8.105 -3.909) 12.467 28.072 ( -8.629 8.105 3.909) 12.467 29.422 ( -6.876 13.978 -26.566) 30.796 29.422 ( -6.876 13.978 26.566) 30.796 32.658 ( 12.244 -9.857 -4.147) 16.256 32.658 ( 12.244 -9.857 4.147) 16.256 ======================= Grid point 292 (88/108) ======================= q-point: (-0.09 0.09 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.000 10.986 -35.217) 36.891 2.104 ( 0.000 10.986 35.217) 36.891 2.219 ( 0.000 33.776 -35.404) 48.932 2.219 ( 0.000 33.776 35.404) 48.932 3.945 ( 0.000 4.509 -72.028) 72.169 3.945 ( 0.000 4.509 72.028) 72.169 4.004 ( 0.000 5.995 -9.606) 11.323 4.004 ( 0.000 5.995 9.606) 11.323 4.796 ( -0.000 -1.053 -9.837) 9.894 4.796 ( -0.000 -1.053 9.837) 9.894 4.862 ( 0.000 10.218 -6.015) 11.857 4.862 ( 0.000 10.218 6.015) 11.857 5.201 ( 0.000 3.766 -22.918) 23.226 5.201 ( 0.000 3.766 22.918) 23.226 6.106 ( 0.000 0.375 -13.867) 13.872 6.106 ( 0.000 0.375 13.867) 13.872 6.168 ( 0.000 3.044 -5.110) 5.948 6.168 ( 0.000 3.044 5.110) 5.948 6.534 ( 0.000 3.580 -4.359) 5.641 6.534 ( 0.000 3.580 4.359) 5.641 7.003 ( -0.000 -2.871 -5.307) 6.034 7.003 ( -0.000 -2.871 5.307) 6.034 7.018 ( 0.000 0.171 -13.766) 13.767 7.018 ( 0.000 0.171 13.766) 13.767 7.280 ( -0.000 -3.744 -4.359) 5.746 7.280 ( -0.000 -3.744 4.359) 5.746 8.037 ( -0.000 -4.675 -4.725) 6.647 8.037 ( -0.000 -4.675 4.725) 6.647 8.080 ( -0.000 -0.674 -1.903) 2.019 8.080 ( -0.000 -0.674 1.903) 2.019 8.741 ( -0.000 -5.319 -2.504) 5.878 8.741 ( -0.000 -5.319 2.504) 5.878 9.917 ( -0.000 -0.530 -8.793) 8.809 9.917 ( -0.000 -0.530 8.793) 8.809 10.388 ( -0.000 -7.551 -8.621) 11.461 10.388 ( -0.000 -7.551 8.621) 11.461 10.396 ( -0.000 -3.119 -8.136) 8.713 10.396 ( -0.000 -3.119 8.136) 8.713 10.534 ( 0.000 0.404 -19.141) 19.145 10.534 ( 0.000 0.404 19.141) 19.145 11.114 ( 0.000 6.145 -6.662) 9.063 11.114 ( 0.000 6.145 6.662) 9.063 13.255 ( -0.000 -3.245 -4.117) 5.242 13.255 ( -0.000 -3.245 4.117) 5.242 13.586 ( -0.000 -3.850 -5.706) 6.884 13.586 ( -0.000 -3.850 5.706) 6.884 14.292 ( -0.000 -2.563 -1.611) 3.028 14.292 ( -0.000 -2.563 1.611) 3.028 14.495 ( 0.000 0.062 -7.510) 7.510 14.495 ( 0.000 0.062 7.510) 7.510 15.626 ( -0.000 -2.899 -9.380) 9.818 15.626 ( -0.000 -2.899 9.380) 9.818 17.349 ( -0.000 -6.323 -4.877) 7.985 17.349 ( -0.000 -6.323 4.877) 7.985 18.082 ( -0.000 -9.385 -11.078) 14.519 18.082 ( -0.000 -9.385 11.078) 14.519 18.707 ( 0.000 4.434 -9.848) 10.800 18.707 ( 0.000 4.434 9.848) 10.800 19.974 ( 0.000 0.247 -0.883) 0.917 19.974 ( 0.000 0.247 0.883) 0.917 26.332 ( -0.000 -22.165 -7.782) 23.491 26.332 ( -0.000 -22.165 7.782) 23.491 26.996 ( -0.000 -0.062 -0.248) 0.255 26.996 ( -0.000 -0.062 0.248) 0.255 27.592 ( 0.000 12.530 -2.452) 12.768 27.592 ( 0.000 12.530 2.452) 12.768 27.963 ( 0.000 1.382 -1.782) 2.255 27.963 ( 0.000 1.382 1.782) 2.255 29.202 ( 0.000 18.403 -22.461) 29.038 29.202 ( 0.000 18.403 22.461) 29.038 32.875 ( -0.000 -10.239 -0.673) 10.261 32.875 ( -0.000 -10.239 0.673) 10.261 ======================= Grid point 298 (89/108) ======================= q-point: ( 0.18 0.18 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 23.100 -0.000 -18.725) 29.736 3.235 ( 23.100 -0.000 18.725) 29.736 3.594 ( 27.252 -0.000 -15.885) 31.544 3.594 ( 27.252 -0.000 15.885) 31.544 4.432 ( 7.706 -0.000 -1.009) 7.772 4.432 ( 7.706 -0.000 1.009) 7.772 4.826 ( 1.570 -0.000 -4.545) 4.809 4.826 ( 1.570 -0.000 4.545) 4.809 5.187 ( -0.097 0.000 -6.366) 6.367 5.187 ( -0.097 0.000 6.366) 6.367 5.310 ( -1.535 0.000 -9.256) 9.383 5.310 ( -1.535 0.000 9.256) 9.383 5.687 ( -3.940 0.000 -0.060) 3.940 5.687 ( -3.940 0.000 0.060) 3.940 6.095 ( 2.907 -0.000 -5.789) 6.478 6.095 ( 2.907 -0.000 5.789) 6.478 6.299 ( -5.054 0.000 -8.590) 9.967 6.299 ( -5.054 0.000 8.590) 9.967 6.611 ( 9.431 -0.000 -13.753) 16.676 6.611 ( 9.431 -0.000 13.753) 16.676 7.062 ( 5.854 -0.000 -6.118) 8.468 7.062 ( 5.854 -0.000 6.118) 8.468 7.365 ( 4.427 -0.000 -10.734) 11.611 7.365 ( 4.427 -0.000 10.734) 11.611 7.784 ( 13.745 -0.000 -2.863) 14.040 7.784 ( 13.745 -0.000 2.863) 14.040 8.206 ( -5.394 0.000 -13.399) 14.444 8.206 ( -5.394 0.000 13.399) 14.444 8.772 ( -2.678 0.000 -4.006) 4.819 8.772 ( -2.678 0.000 4.006) 4.819 9.020 ( 3.764 -0.000 -5.375) 6.562 9.020 ( 3.764 -0.000 5.375) 6.562 9.936 ( 35.230 -0.000 -0.386) 35.232 9.936 ( 35.230 -0.000 0.386) 35.232 10.361 ( 7.611 -0.000 -10.973) 13.355 10.361 ( 7.611 -0.000 10.973) 13.355 10.883 ( 7.596 -0.000 -1.936) 7.839 10.883 ( 7.596 -0.000 1.936) 7.839 11.356 ( 13.224 -0.000 -3.390) 13.652 11.356 ( 13.224 -0.000 3.390) 13.652 11.830 ( -3.044 0.000 -9.363) 9.845 11.830 ( -3.044 0.000 9.363) 9.845 12.174 ( -17.863 0.000 -2.059) 17.982 12.174 ( -17.863 0.000 2.059) 17.982 13.133 ( -2.638 0.000 -4.785) 5.464 13.133 ( -2.638 0.000 4.785) 5.464 13.763 ( -25.567 0.000 -4.248) 25.918 13.763 ( -25.567 0.000 4.248) 25.918 15.413 ( 13.224 -0.000 -18.602) 22.823 15.413 ( 13.224 -0.000 18.602) 22.823 16.415 ( -16.243 0.000 -13.325) 21.009 16.415 ( -16.243 0.000 13.325) 21.009 16.763 ( 19.205 -0.000 -6.842) 20.388 16.763 ( 19.205 -0.000 6.842) 20.388 17.105 ( -11.023 0.000 -4.082) 11.755 17.105 ( -11.023 0.000 4.082) 11.755 18.958 ( 14.028 -0.000 -2.883) 14.321 18.958 ( 14.028 -0.000 2.883) 14.321 19.710 ( -20.476 0.000 -6.770) 21.566 19.710 ( -20.476 0.000 6.770) 21.566 26.140 ( -0.854 0.000 -5.723) 5.786 26.140 ( -0.854 0.000 5.723) 5.786 26.840 ( -8.682 0.000 -0.365) 8.690 26.840 ( -8.682 0.000 0.365) 8.690 27.842 ( -0.441 0.000 -2.720) 2.756 27.842 ( -0.441 0.000 2.720) 2.756 28.178 ( 9.452 -0.000 -5.608) 10.990 28.178 ( 9.452 -0.000 5.608) 10.990 30.702 ( 28.091 -0.000 -11.967) 30.534 30.702 ( 28.091 -0.000 11.967) 30.534 31.731 ( -22.354 0.000 -0.696) 22.364 31.731 ( -22.354 0.000 0.696) 22.364 ======================= Grid point 300 (90/108) ======================= q-point: ( 0.27 0.18 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( 17.089 -3.378 -12.057) 21.185 3.611 ( 17.089 -3.378 12.057) 21.185 4.047 ( 22.880 -0.543 -9.913) 24.941 4.047 ( 22.880 -0.543 9.913) 24.941 4.462 ( -5.231 0.481 -2.462) 5.801 4.462 ( -5.231 0.481 2.462) 5.801 4.872 ( 5.074 6.237 -9.607) 12.527 4.872 ( 5.074 6.237 9.607) 12.527 5.194 ( 1.773 -1.035 -7.836) 8.101 5.194 ( 1.773 -1.035 7.836) 8.101 5.261 ( -4.619 -7.095 -12.020) 14.702 5.261 ( -4.619 -7.095 12.020) 14.702 5.636 ( -0.621 5.644 -2.949) 6.398 5.636 ( -0.621 5.644 2.949) 6.398 5.985 ( -5.615 8.018 -5.485) 11.221 5.985 ( -5.615 8.018 5.485) 11.221 6.251 ( -5.781 -8.206 -6.141) 11.767 6.251 ( -5.781 -8.206 6.141) 11.767 6.831 ( 10.671 -5.018 -12.541) 17.214 6.831 ( 10.671 -5.018 12.541) 17.214 7.171 ( 4.390 -3.123 -2.683) 6.019 7.171 ( 4.390 -3.123 2.683) 6.019 7.402 ( 2.837 5.160 -7.437) 9.486 7.402 ( 2.837 5.160 7.437) 9.486 7.987 ( 4.233 -0.979 -12.702) 13.424 7.987 ( 4.233 -0.979 12.702) 13.424 8.113 ( -2.168 -2.824 -8.564) 9.275 8.113 ( -2.168 -2.824 8.564) 9.275 8.751 ( 1.142 1.634 -5.057) 5.436 8.751 ( 1.142 1.634 5.057) 5.436 9.039 ( 0.500 6.742 -14.509) 16.006 9.039 ( 0.500 6.742 14.509) 16.006 10.296 ( 5.743 -4.174 -7.620) 10.415 10.296 ( 5.743 -4.174 7.620) 10.415 10.542 ( 7.984 -1.400 -5.986) 10.076 10.542 ( 7.984 -1.400 5.986) 10.076 11.130 ( 19.962 0.830 -1.510) 20.036 11.130 ( 19.962 0.830 1.510) 20.036 11.510 ( -12.398 2.110 -4.264) 13.279 11.510 ( -12.398 2.110 4.264) 13.279 11.620 ( -3.631 -1.144 -5.125) 6.385 11.620 ( -3.631 -1.144 5.125) 6.385 11.996 ( -3.349 0.049 -11.846) 12.310 11.996 ( -3.349 0.049 11.846) 12.310 13.077 ( -7.242 -0.011 -0.830) 7.290 13.077 ( -7.242 -0.011 0.830) 7.290 13.352 ( -13.081 1.302 -0.829) 13.172 13.352 ( -13.081 1.302 0.829) 13.172 15.658 ( 13.872 0.355 -18.780) 23.350 15.658 ( 13.872 0.355 18.780) 23.350 16.139 ( -14.257 -0.390 -18.657) 23.484 16.139 ( -14.257 -0.390 18.657) 23.484 16.880 ( -14.805 -2.331 -4.160) 15.554 16.880 ( -14.805 -2.331 4.160) 15.554 17.092 ( 17.078 1.772 -5.968) 18.178 17.092 ( 17.078 1.772 5.968) 18.178 19.202 ( 6.414 1.569 -5.767) 8.767 19.202 ( 6.414 1.569 5.767) 8.767 19.346 ( -12.267 0.078 -6.069) 13.686 19.346 ( -12.267 0.078 6.069) 13.686 26.120 ( -3.051 -2.292 -0.605) 3.864 26.120 ( -3.051 -2.292 0.605) 3.864 26.703 ( -3.530 4.293 -5.019) 7.489 26.703 ( -3.530 4.293 5.019) 7.489 27.856 ( -0.265 -4.181 -1.643) 4.500 27.856 ( -0.265 -4.181 1.643) 4.500 28.373 ( 12.739 0.967 -6.635) 14.396 28.373 ( 12.739 0.967 6.635) 14.396 31.141 ( 21.386 1.504 -7.882) 22.842 31.141 ( 21.386 1.504 7.882) 22.842 31.307 ( -25.225 -0.733 -1.908) 25.307 31.307 ( -25.225 -0.733 1.908) 25.307 ======================= Grid point 302 (91/108) ======================= q-point: ( 0.36 0.18 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.866 ( 7.511 -2.153 -9.474) 12.280 3.866 ( 7.511 -2.153 9.474) 12.280 4.273 ( -11.560 -0.063 -4.532) 12.417 4.273 ( -11.560 -0.063 4.532) 12.417 4.364 ( 10.305 1.847 -2.888) 10.861 4.364 ( 10.305 1.847 2.888) 10.861 4.861 ( 3.069 10.754 -3.877) 11.836 4.861 ( 3.069 10.754 3.877) 11.836 5.189 ( -0.720 -2.993 -11.215) 11.629 5.189 ( -0.720 -2.993 11.215) 11.629 5.361 ( 1.437 -3.488 -6.611) 7.612 5.361 ( 1.437 -3.488 6.611) 7.612 5.562 ( 2.642 5.626 -7.020) 9.376 5.562 ( 2.642 5.626 7.020) 9.376 5.884 ( 0.962 2.954 -6.326) 7.048 5.884 ( 0.962 2.954 6.326) 7.048 6.232 ( -4.978 -9.092 -5.849) 11.902 6.232 ( -4.978 -9.092 5.849) 11.902 7.009 ( 4.121 -1.931 -7.221) 8.536 7.009 ( 4.121 -1.931 7.221) 8.536 7.239 ( -0.271 -3.258 -1.735) 3.701 7.239 ( -0.271 -3.258 1.735) 3.701 7.405 ( 2.679 4.451 -4.492) 6.867 7.405 ( 2.679 4.451 4.492) 6.867 7.918 ( -7.640 -3.476 -13.485) 15.884 7.918 ( -7.640 -3.476 13.485) 15.884 8.222 ( 4.973 -4.210 -7.197) 9.708 8.222 ( 4.973 -4.210 7.197) 9.708 8.754 ( 1.077 6.432 -5.013) 8.225 8.754 ( 1.077 6.432 5.013) 8.225 8.916 ( -4.014 10.351 -15.988) 19.465 8.916 ( -4.014 10.351 15.988) 19.465 10.368 ( -2.712 -7.996 -7.914) 11.572 10.368 ( -2.712 -7.996 7.914) 11.572 10.594 ( -4.033 -1.184 -8.002) 9.038 10.594 ( -4.033 -1.184 8.002) 9.038 10.972 ( -34.958 -0.531 -0.679) 34.969 10.972 ( -34.958 -0.531 0.679) 34.969 11.399 ( 5.069 0.657 -2.074) 5.517 11.399 ( 5.069 0.657 2.074) 5.517 11.620 ( -5.430 -0.581 -9.456) 10.919 11.620 ( -5.430 -0.581 9.456) 10.919 12.017 ( 5.314 0.019 -6.055) 8.056 12.017 ( 5.314 0.019 6.055) 8.056 12.900 ( -6.017 -2.246 -1.572) 6.612 12.900 ( -6.017 -2.246 1.572) 6.612 13.412 ( 16.173 2.535 -1.337) 16.425 13.412 ( 16.173 2.535 1.337) 16.425 15.739 ( -8.310 3.251 -14.313) 16.866 15.739 ( -8.310 3.251 14.313) 16.866 16.060 ( 8.237 -3.324 -13.885) 16.483 16.060 ( 8.237 -3.324 13.885) 16.483 16.628 ( -17.096 -4.998 -5.014) 18.504 16.628 ( -17.096 -4.998 5.014) 18.504 17.315 ( 10.141 3.366 -5.781) 12.148 17.315 ( 10.141 3.366 5.781) 12.148 18.912 ( -19.399 -1.682 -9.006) 21.454 18.912 ( -19.399 -1.682 9.006) 21.454 19.548 ( 17.839 3.072 -5.183) 18.830 19.548 ( 17.839 3.072 5.183) 18.830 26.060 ( -7.196 -4.510 -3.720) 9.271 26.060 ( -7.196 -4.510 3.720) 9.271 26.670 ( 4.925 5.635 -6.348) 9.814 26.670 ( 4.925 5.635 6.348) 9.814 27.895 ( -0.077 -4.663 -0.575) 4.699 27.895 ( -0.077 -4.663 0.575) 4.699 28.594 ( 14.683 4.563 -7.670) 17.183 28.594 ( 14.683 4.563 7.670) 17.183 30.791 ( -32.574 -3.640 -3.249) 32.938 30.791 ( -32.574 -3.640 3.249) 32.938 31.500 ( 18.659 2.005 -4.919) 19.400 31.500 ( 18.659 2.005 4.919) 19.400 ======================= Grid point 304 (92/108) ======================= q-point: (-0.55 0.18 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.786 ( -14.152 6.076 -3.486) 15.791 3.786 ( -14.152 6.076 3.486) 15.791 4.169 ( -1.881 -4.446 -8.307) 9.608 4.169 ( -1.881 -4.446 8.307) 9.608 4.408 ( 0.907 10.609 -4.441) 11.536 4.408 ( 0.907 10.609 4.441) 11.536 4.791 ( -2.771 3.307 -1.474) 4.559 4.791 ( -2.771 3.307 1.474) 4.559 5.166 ( -2.044 8.925 -1.703) 9.314 5.166 ( -2.044 8.925 1.703) 9.314 5.402 ( 7.121 -0.389 -6.844) 9.884 5.402 ( 7.121 -0.389 6.844) 9.884 5.649 ( 5.440 -1.809 -9.252) 10.884 5.649 ( 5.440 -1.809 9.252) 10.884 5.973 ( 7.698 -3.382 -7.744) 11.431 5.973 ( 7.698 -3.382 7.744) 11.431 6.235 ( -3.872 -8.891 -5.413) 11.105 6.235 ( -3.872 -8.891 5.413) 11.105 6.994 ( -2.988 4.306 -1.675) 5.502 6.994 ( -2.988 4.306 1.675) 5.502 7.214 ( -5.841 -0.856 -2.127) 6.275 7.214 ( -5.841 -0.856 2.127) 6.275 7.370 ( -3.757 4.913 -6.619) 9.059 7.370 ( -3.757 4.913 6.619) 9.059 7.845 ( -5.580 -5.077 -6.613) 10.032 7.845 ( -5.580 -5.077 6.613) 10.032 8.312 ( 0.081 -4.088 -5.129) 6.559 8.312 ( 0.081 -4.088 5.129) 6.559 8.555 ( -9.355 13.547 -14.870) 22.185 8.555 ( -9.355 13.547 14.870) 22.185 8.859 ( 2.985 3.349 -5.529) 7.120 8.859 ( 2.985 3.349 5.529) 7.120 10.052 ( -45.434 0.079 -2.352) 45.495 10.052 ( -45.434 0.079 2.352) 45.495 10.402 ( -6.111 -6.088 -7.150) 11.204 10.402 ( -6.111 -6.088 7.150) 11.204 10.699 ( -3.652 -5.469 -6.943) 9.563 10.699 ( -3.652 -5.469 6.943) 9.563 11.234 ( -16.932 1.667 -4.927) 17.713 11.234 ( -16.932 1.667 4.927) 17.713 11.547 ( -7.833 -6.649 -2.356) 10.541 11.547 ( -7.833 -6.649 2.356) 10.541 12.183 ( 12.758 -1.771 -0.775) 12.903 12.183 ( 12.758 -1.771 0.775) 12.903 12.930 ( 5.493 -0.219 -5.643) 7.878 12.930 ( 5.493 -0.219 5.643) 7.878 13.755 ( 21.874 0.633 -5.430) 22.547 13.755 ( 21.874 0.633 5.430) 22.547 15.480 ( -15.523 2.408 -17.360) 23.412 15.480 ( -15.523 2.408 17.360) 23.412 16.216 ( -7.442 -6.782 -3.566) 10.681 16.216 ( -7.442 -6.782 3.566) 10.681 16.466 ( 3.966 -2.802 -11.397) 12.389 16.466 ( 3.966 -2.802 11.397) 12.389 17.376 ( 0.501 3.002 -4.305) 5.272 17.376 ( 0.501 3.002 4.305) 5.272 18.680 ( -7.978 -1.513 -8.691) 11.894 18.680 ( -7.978 -1.513 8.691) 11.894 19.815 ( 14.748 2.327 -6.094) 16.126 19.815 ( 14.748 2.327 6.094) 16.126 25.963 ( -8.410 -5.538 -2.535) 10.384 25.963 ( -8.410 -5.538 2.535) 10.384 26.758 ( 9.395 4.644 -4.038) 11.231 26.758 ( 9.395 4.644 4.038) 11.231 27.927 ( -0.210 -2.582 -0.783) 2.706 27.927 ( -0.210 -2.582 0.783) 2.706 28.785 ( 13.383 10.077 -7.893) 18.519 28.785 ( 13.383 10.077 7.893) 18.519 30.244 ( -34.120 -7.991 -5.852) 35.528 30.244 ( -34.120 -7.991 5.852) 35.528 31.779 ( 14.841 0.973 -1.931) 14.997 31.779 ( 14.841 0.973 1.931) 14.997 ======================= Grid point 306 (93/108) ======================= q-point: (-0.45 0.18 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( -17.318 9.567 -9.436) 21.920 3.421 ( -17.318 9.567 9.436) 21.920 4.090 ( -7.094 13.863 -12.922) 20.235 4.090 ( -7.094 13.863 12.922) 20.235 4.284 ( -4.103 1.402 -10.464) 11.327 4.284 ( -4.103 1.402 10.464) 11.327 4.751 ( 0.256 2.960 -2.404) 3.822 4.751 ( 0.256 2.960 2.404) 3.822 5.050 ( -2.818 5.044 -6.765) 8.897 5.050 ( -2.818 5.044 6.765) 8.897 5.469 ( 3.788 8.705 -7.392) 12.032 5.469 ( 3.788 8.705 7.392) 12.032 5.798 ( 4.714 -6.250 -4.275) 8.919 5.798 ( 4.714 -6.250 4.275) 8.919 6.133 ( 6.660 -0.743 -7.319) 9.924 6.133 ( 6.660 -0.743 7.319) 9.924 6.258 ( -2.442 -9.853 -6.634) 12.127 6.258 ( -2.442 -9.853 6.634) 12.127 6.866 ( -11.113 0.199 -4.789) 12.103 6.866 ( -11.113 0.199 4.789) 12.103 7.016 ( -10.342 11.435 -7.019) 16.940 7.016 ( -10.342 11.435 7.019) 16.940 7.179 ( -8.874 7.456 -6.858) 13.468 7.179 ( -8.874 7.456 6.858) 13.468 7.752 ( -10.708 -3.982 -8.472) 14.223 7.752 ( -10.708 -3.982 8.472) 14.223 8.150 ( -11.631 7.566 -7.495) 15.770 8.150 ( -11.631 7.566 7.495) 15.770 8.482 ( 1.049 -7.936 -1.539) 8.151 8.482 ( 1.049 -7.936 1.539) 8.151 8.880 ( -1.771 1.429 -5.982) 6.400 8.880 ( -1.771 1.429 5.982) 6.400 9.280 ( -33.004 1.451 -1.801) 33.085 9.280 ( -33.004 1.451 1.801) 33.085 10.350 ( -5.259 -4.163 -8.692) 10.980 10.350 ( -5.259 -4.163 8.692) 10.980 10.689 ( -5.153 -4.174 -6.465) 9.261 10.689 ( -5.153 -4.174 6.465) 9.261 10.934 ( -15.082 -3.653 -1.598) 15.600 10.934 ( -15.082 -3.653 1.598) 15.600 11.442 ( -11.952 -9.741 -3.603) 15.834 11.442 ( -11.952 -9.741 3.603) 15.834 12.473 ( 16.959 -3.292 -1.860) 17.376 12.473 ( 16.959 -3.292 1.860) 17.376 13.040 ( 6.641 0.757 -4.117) 7.851 13.040 ( 6.641 0.757 4.117) 7.851 14.092 ( 14.823 -0.806 -8.224) 16.971 14.092 ( 14.823 -0.806 8.224) 16.971 15.181 ( -16.568 0.717 -13.023) 21.086 15.181 ( -16.568 0.717 13.023) 21.086 15.986 ( -19.931 -8.388 -2.493) 21.767 15.986 ( -19.931 -8.388 2.493) 21.767 16.728 ( 16.741 -2.172 -3.147) 17.172 16.728 ( 16.741 -2.172 3.147) 17.172 17.334 ( -0.948 0.946 -2.421) 2.767 17.334 ( -0.948 0.946 2.421) 2.767 18.641 ( 1.798 0.511 -7.216) 7.455 18.641 ( 1.798 0.511 7.216) 7.455 20.009 ( 8.464 0.752 -5.762) 10.266 20.009 ( 8.464 0.752 5.762) 10.266 25.877 ( -7.241 -6.676 -1.374) 9.944 25.877 ( -7.241 -6.676 1.374) 9.944 26.890 ( 8.846 3.161 -1.246) 9.476 26.890 ( 8.846 3.161 1.246) 9.476 27.927 ( -1.055 0.332 -0.979) 1.477 27.927 ( -1.055 0.332 0.979) 1.477 28.822 ( 1.191 14.873 -4.159) 15.490 28.822 ( 1.191 14.873 4.159) 15.490 29.811 ( -21.847 -10.444 -13.003) 27.485 29.811 ( -21.847 -10.444 13.003) 27.485 32.015 ( 12.274 -1.184 -1.258) 12.395 32.015 ( 12.274 -1.184 1.258) 12.395 ======================= Grid point 308 (94/108) ======================= q-point: (-0.36 0.18 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -15.365 11.976 -21.668) 29.138 3.037 ( -15.365 11.976 21.668) 29.138 3.720 ( -12.028 26.468 -17.451) 33.908 3.720 ( -12.028 26.468 17.451) 33.908 4.235 ( -4.249 -3.605 -5.024) 7.503 4.235 ( -4.249 -3.605 5.024) 7.503 4.665 ( -5.396 9.069 -5.811) 12.047 4.665 ( -5.396 9.069 5.811) 12.047 4.984 ( -3.188 -0.070 -12.810) 13.201 4.984 ( -3.188 -0.070 12.810) 13.201 5.418 ( 0.485 12.356 -8.168) 14.820 5.418 ( 0.485 12.356 8.168) 14.820 5.722 ( -16.055 5.454 -18.197) 24.873 5.722 ( -16.055 5.454 18.197) 24.873 6.198 ( 2.564 5.007 -6.205) 8.376 6.198 ( 2.564 5.007 6.205) 8.376 6.345 ( 1.796 -9.418 -4.106) 10.430 6.345 ( 1.796 -9.418 4.106) 10.430 6.527 ( -10.621 9.934 -13.886) 20.107 6.527 ( -10.621 9.934 13.886) 20.107 6.881 ( -2.833 -2.770 -3.640) 5.381 6.881 ( -2.833 -2.770 3.640) 5.381 7.005 ( -5.745 1.738 -6.781) 9.056 7.005 ( -5.745 1.738 6.781) 9.056 7.548 ( -15.267 -3.282 -11.899) 19.632 7.548 ( -15.267 -3.282 11.899) 19.632 7.937 ( -7.071 2.439 -3.604) 8.303 7.937 ( -7.071 2.439 3.604) 8.303 8.503 ( -17.207 -2.203 -2.754) 17.565 8.503 ( -17.207 -2.203 2.754) 17.565 8.619 ( -6.356 -4.730 -2.911) 8.441 8.619 ( -6.356 -4.730 2.911) 8.441 9.185 ( 11.823 -1.544 -10.069) 15.607 9.185 ( 11.823 -1.544 10.069) 15.607 10.297 ( -3.504 -1.720 -9.677) 10.435 10.297 ( -3.504 -1.720 9.677) 10.435 10.535 ( -12.725 -2.732 -3.172) 13.396 10.535 ( -12.725 -2.732 3.172) 13.396 10.826 ( -5.764 -6.182 -4.090) 9.390 10.826 ( -5.764 -6.182 4.090) 9.390 11.307 ( -13.662 -11.122 -8.570) 19.591 11.307 ( -13.662 -11.122 8.570) 19.591 12.809 ( 16.305 -4.141 -2.761) 17.047 12.809 ( 16.305 -4.141 2.761) 17.047 13.154 ( 7.677 0.225 -3.104) 8.284 13.154 ( 7.677 0.225 3.104) 8.284 14.262 ( 3.085 -2.236 -8.131) 8.980 14.262 ( 3.085 -2.236 8.131) 8.980 14.890 ( -16.570 -0.915 -5.047) 17.346 14.890 ( -16.570 -0.915 5.047) 17.346 15.734 ( -15.916 -7.645 -4.077) 18.121 15.734 ( -15.916 -7.645 4.077) 18.121 16.999 ( 8.742 -4.738 -10.822) 14.697 16.999 ( 8.742 -4.738 10.822) 14.697 17.412 ( 11.723 -0.596 -3.677) 12.300 17.412 ( 11.723 -0.596 3.677) 12.300 18.697 ( 5.388 2.587 -7.264) 9.407 18.697 ( 5.388 2.587 7.264) 9.407 20.089 ( 0.602 -0.526 -3.916) 3.997 20.089 ( 0.602 -0.526 3.916) 3.997 25.835 ( -5.000 -8.514 -3.665) 10.532 25.835 ( -5.000 -8.514 3.665) 10.532 26.991 ( 4.468 1.418 -1.155) 4.828 26.991 ( 4.468 1.418 1.155) 4.828 27.882 ( -2.631 2.304 -0.545) 3.540 27.882 ( -2.631 2.304 0.545) 3.540 28.568 ( -13.349 11.974 -2.143) 18.060 28.568 ( -13.349 11.974 2.143) 18.060 29.670 ( -3.200 -1.708 -23.035) 23.319 29.670 ( -3.200 -1.708 23.035) 23.319 32.243 ( 10.948 -4.772 -4.029) 12.604 32.243 ( 10.948 -4.772 4.029) 12.604 ======================= Grid point 310 (95/108) ======================= q-point: (-0.27 0.18 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -14.769 14.366 -28.199) 34.924 2.656 ( -14.769 14.366 28.199) 34.924 3.254 ( -10.532 30.192 -27.019) 41.862 3.254 ( -10.532 30.192 27.019) 41.862 4.179 ( -2.756 2.130 -7.817) 8.558 4.179 ( -2.756 2.130 7.817) 8.558 4.409 ( -10.081 15.812 -11.506) 22.000 4.409 ( -10.081 15.812 11.506) 22.000 4.880 ( -9.493 -0.240 -10.950) 14.494 4.880 ( -9.493 -0.240 10.950) 14.494 5.152 ( -13.186 7.179 -18.437) 23.777 5.152 ( -13.186 7.179 18.437) 23.777 5.507 ( 6.720 20.295 -5.157) 21.992 5.507 ( 6.720 20.295 5.157) 21.992 6.160 ( -1.092 3.965 -4.922) 6.414 6.160 ( -1.092 3.965 4.922) 6.414 6.320 ( -3.003 5.816 -10.326) 12.226 6.320 ( -3.003 5.816 10.326) 12.226 6.505 ( 1.279 -6.731 -1.961) 7.127 6.505 ( 1.279 -6.731 1.961) 7.127 6.893 ( -0.473 -5.066 -1.394) 5.275 6.893 ( -0.473 -5.066 1.394) 5.275 6.971 ( 0.694 -4.200 -10.734) 11.547 6.971 ( 0.694 -4.200 10.734) 11.547 7.306 ( -13.420 -1.667 -8.882) 16.179 7.306 ( -13.420 -1.667 8.882) 16.179 7.867 ( -0.680 -2.027 -3.299) 3.931 7.867 ( -0.680 -2.027 3.299) 3.931 8.193 ( -13.927 -0.696 -4.397) 14.621 8.193 ( -13.927 -0.696 4.397) 14.621 8.646 ( 0.034 -3.632 -4.572) 5.840 8.646 ( 0.034 -3.632 4.572) 5.840 9.504 ( 17.321 -8.342 -11.349) 22.325 9.504 ( 17.321 -8.342 11.349) 22.325 10.267 ( -0.561 -0.655 -8.091) 8.136 10.267 ( -0.561 -0.655 8.091) 8.136 10.376 ( -7.634 -3.284 -2.474) 8.671 10.376 ( -7.634 -3.284 2.474) 8.671 10.725 ( -12.073 -3.591 -9.498) 15.776 10.725 ( -12.073 -3.591 9.498) 15.776 11.188 ( -8.574 -8.162 -10.306) 15.696 11.188 ( -8.574 -8.162 10.306) 15.696 13.061 ( 7.100 -4.793 -2.031) 8.804 13.061 ( 7.100 -4.793 2.031) 8.804 13.348 ( 13.538 -1.259 -4.846) 14.434 13.348 ( 13.538 -1.259 4.846) 14.434 14.264 ( -5.523 -4.784 -4.034) 8.347 14.264 ( -5.523 -4.784 4.034) 8.347 14.625 ( -12.935 -0.133 -4.104) 13.571 14.625 ( -12.935 -0.133 4.104) 13.571 15.581 ( -8.217 -6.040 -7.418) 12.610 15.581 ( -8.217 -6.040 7.418) 12.610 17.132 ( 2.088 -6.806 -11.747) 13.736 17.132 ( 2.088 -6.806 11.747) 13.736 17.706 ( 15.673 -4.237 -8.236) 18.205 17.706 ( 15.673 -4.237 8.236) 18.205 18.768 ( 5.575 4.035 -9.054) 11.373 18.768 ( 5.575 4.035 9.054) 11.373 20.047 ( -5.093 -0.439 -1.000) 5.209 20.047 ( -5.093 -0.439 1.000) 5.209 25.862 ( -1.863 -11.852 -6.217) 13.512 25.862 ( -1.863 -11.852 6.217) 13.512 27.014 ( -0.942 -0.124 -1.387) 1.681 27.014 ( -0.942 -0.124 1.387) 1.681 27.804 ( -3.099 2.744 -1.003) 4.259 27.804 ( -3.099 2.744 1.003) 4.259 28.249 ( -9.456 11.243 -4.873) 15.478 28.249 ( -9.456 11.243 4.873) 15.478 29.630 ( 0.587 8.660 -29.332) 30.589 29.630 ( 0.587 8.660 29.332) 30.589 32.481 ( 8.313 -9.422 -5.574) 13.745 32.481 ( 8.313 -9.422 5.574) 13.745 ======================= Grid point 312 (96/108) ======================= q-point: (-0.18 0.18 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 0.000 15.894 -31.374) 35.170 2.352 ( 0.000 15.894 31.374) 35.170 2.871 ( 0.000 34.915 -31.441) 46.985 2.871 ( 0.000 34.915 31.441) 46.985 4.102 ( 0.000 13.814 -45.870) 47.905 4.102 ( 0.000 13.814 45.870) 47.905 4.145 ( 0.000 9.195 -9.559) 13.263 4.145 ( 0.000 9.195 9.559) 13.263 4.775 ( -0.000 -1.070 -12.366) 12.412 4.775 ( -0.000 -1.070 12.366) 12.412 5.002 ( 0.000 5.275 -19.001) 19.719 5.002 ( 0.000 5.275 19.001) 19.719 5.407 ( 0.000 19.510 -21.350) 28.922 5.407 ( 0.000 19.510 21.350) 28.922 6.120 ( 0.000 1.312 -10.214) 10.298 6.120 ( 0.000 1.312 10.214) 10.298 6.242 ( 0.000 5.192 -9.006) 10.396 6.242 ( 0.000 5.192 9.006) 10.396 6.554 ( -0.000 -2.638 -2.979) 3.979 6.554 ( -0.000 -2.638 2.979) 3.979 6.939 ( -0.000 -4.477 -2.759) 5.259 6.939 ( -0.000 -4.477 2.759) 5.259 7.020 ( 0.000 0.012 -12.824) 12.824 7.020 ( 0.000 0.012 12.824) 12.824 7.197 ( -0.000 -5.712 -1.962) 6.040 7.197 ( -0.000 -5.712 1.962) 6.040 7.917 ( -0.000 -6.236 -1.736) 6.473 7.917 ( -0.000 -6.236 1.736) 6.473 8.063 ( -0.000 -1.166 -3.645) 3.827 8.063 ( -0.000 -1.166 3.645) 3.827 8.673 ( -0.000 -2.651 -4.862) 5.538 8.673 ( -0.000 -2.651 4.862) 5.538 9.801 ( -0.000 -11.421 -10.639) 15.609 9.801 ( -0.000 -11.421 10.639) 15.609 10.317 ( -0.000 -5.559 -6.536) 8.581 10.317 ( -0.000 -5.559 6.536) 8.581 10.325 ( -0.000 -0.373 -14.885) 14.890 10.325 ( -0.000 -0.373 14.885) 14.890 10.546 ( 0.000 0.955 -20.649) 20.671 10.546 ( 0.000 0.955 20.649) 20.671 11.160 ( -0.000 -2.173 -8.639) 8.908 11.160 ( -0.000 -2.173 8.639) 8.908 13.169 ( -0.000 -5.862 -3.014) 6.592 13.169 ( -0.000 -5.862 3.014) 6.592 13.526 ( -0.000 -2.430 -3.863) 4.564 13.526 ( -0.000 -2.430 3.863) 4.564 14.223 ( -0.000 -5.121 -0.691) 5.168 14.223 ( -0.000 -5.121 0.691) 5.168 14.502 ( 0.000 0.660 -8.579) 8.604 14.502 ( 0.000 0.660 8.579) 8.604 15.555 ( -0.000 -4.866 -9.279) 10.477 15.555 ( -0.000 -4.866 9.279) 10.477 17.215 ( -0.000 -7.843 -8.698) 11.712 17.215 ( -0.000 -7.843 8.698) 11.712 17.922 ( -0.000 -7.936 -14.068) 16.152 17.922 ( -0.000 -7.936 14.068) 16.152 18.789 ( 0.000 4.609 -10.569) 11.530 18.789 ( 0.000 4.609 10.569) 11.530 19.981 ( 0.000 0.453 -0.941) 1.045 19.981 ( 0.000 0.453 0.941) 1.045 25.978 ( -0.000 -16.606 -8.048) 18.454 25.978 ( -0.000 -16.606 8.048) 18.454 26.994 ( -0.000 -0.104 -0.224) 0.247 26.994 ( -0.000 -0.104 0.224) 0.247 27.743 ( 0.000 4.462 -1.434) 4.686 27.743 ( 0.000 4.462 1.434) 4.686 28.066 ( 0.000 10.207 -5.235) 11.471 28.066 ( 0.000 10.207 5.235) 11.471 29.522 ( 0.000 15.507 -31.192) 34.834 29.522 ( 0.000 15.507 31.192) 34.834 32.663 ( -0.000 -12.354 -4.834) 13.266 32.663 ( -0.000 -12.354 4.834) 13.266 ======================= Grid point 322 (97/108) ======================= q-point: ( 0.27 0.27 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( 10.723 -0.000 -8.917) 13.946 3.848 ( 10.723 -0.000 8.917) 13.946 4.270 ( -14.071 0.000 -2.904) 14.368 4.270 ( -14.071 0.000 2.904) 14.368 4.382 ( 14.343 -0.000 -6.414) 15.712 4.382 ( 14.343 -0.000 6.414) 15.712 4.998 ( -7.388 0.000 -2.442) 7.781 4.998 ( -7.388 0.000 2.442) 7.781 5.136 ( 7.331 -0.000 -3.169) 7.986 5.136 ( 7.331 -0.000 3.169) 7.986 5.282 ( 8.244 -0.000 -7.970) 11.466 5.282 ( 8.244 -0.000 7.970) 11.466 5.662 ( -1.685 0.000 -3.455) 3.844 5.662 ( -1.685 0.000 3.455) 3.844 5.946 ( -1.781 0.000 -3.882) 4.271 5.946 ( -1.781 0.000 3.882) 4.271 6.107 ( -5.127 0.000 -1.919) 5.474 6.107 ( -5.127 0.000 1.919) 5.474 6.974 ( 7.472 -0.000 -9.520) 12.102 6.974 ( 7.472 -0.000 9.520) 12.102 7.205 ( 0.439 -0.000 -0.461) 0.637 7.205 ( 0.439 -0.000 0.461) 0.637 7.466 ( 1.801 -0.000 -3.200) 3.672 7.466 ( 1.801 -0.000 3.200) 3.672 7.881 ( -9.116 0.000 -16.434) 18.793 7.881 ( -9.116 0.000 16.434) 18.793 8.180 ( 5.297 -0.000 -9.127) 10.553 8.180 ( 5.297 -0.000 9.127) 10.553 8.805 ( 3.719 -0.000 -1.640) 4.064 8.805 ( 3.719 -0.000 1.640) 4.064 9.033 ( -5.356 0.000 -20.019) 20.723 9.033 ( -5.356 0.000 20.019) 20.723 10.283 ( -3.258 0.000 -6.483) 7.256 10.283 ( -3.258 0.000 6.483) 7.256 10.579 ( -2.918 0.000 -7.129) 7.703 10.579 ( -2.918 0.000 7.129) 7.703 10.969 ( -37.109 0.000 -0.776) 37.117 10.969 ( -37.109 0.000 0.776) 37.117 11.407 ( 7.145 -0.000 -2.253) 7.492 11.407 ( 7.145 -0.000 2.253) 7.492 11.614 ( -8.304 0.000 -10.246) 13.188 11.614 ( -8.304 0.000 10.246) 13.188 12.017 ( 4.371 -0.000 -6.461) 7.801 12.017 ( 4.371 -0.000 6.461) 7.801 12.880 ( -4.884 0.000 -1.379) 5.075 12.880 ( -4.884 0.000 1.379) 5.075 13.436 ( 14.924 -0.000 -0.820) 14.946 13.436 ( 14.924 -0.000 0.820) 14.946 15.775 ( -8.822 0.000 -18.430) 20.433 15.775 ( -8.822 0.000 18.430) 20.433 16.023 ( 8.391 -0.000 -18.661) 20.460 16.023 ( 8.391 -0.000 18.661) 20.460 16.581 ( -16.817 0.000 -4.851) 17.503 16.581 ( -16.817 0.000 4.851) 17.503 17.345 ( 9.732 -0.000 -5.782) 11.320 17.345 ( 9.732 -0.000 5.782) 11.320 18.898 ( -19.335 0.000 -8.867) 21.272 18.898 ( -19.335 0.000 8.867) 21.272 19.577 ( 17.204 -0.000 -4.316) 17.737 19.577 ( 17.204 -0.000 4.316) 17.737 26.019 ( -6.889 0.000 -4.351) 8.147 26.019 ( -6.889 0.000 4.351) 8.147 26.724 ( 3.629 -0.000 -7.585) 8.408 26.724 ( 3.629 -0.000 7.585) 8.408 27.850 ( 1.440 -0.000 -0.317) 1.475 27.850 ( 1.440 -0.000 0.317) 1.475 28.635 ( 16.003 -0.000 -8.648) 18.190 28.635 ( 16.003 -0.000 8.648) 18.190 30.758 ( -33.620 0.000 -2.681) 33.727 30.758 ( -33.620 0.000 2.681) 33.727 31.518 ( 17.956 -0.000 -5.200) 18.694 31.518 ( 17.956 -0.000 5.200) 18.694 ======================= Grid point 324 (98/108) ======================= q-point: (-0.64 0.27 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.908 ( -7.632 7.391 -8.886) 13.851 3.908 ( -7.632 7.391 8.886) 13.851 4.048 ( -6.480 -7.350 -7.052) 12.072 4.048 ( -6.480 -7.350 7.052) 12.072 4.574 ( 9.131 5.813 -6.234) 12.491 4.574 ( 9.131 5.813 6.234) 12.491 4.810 ( -9.382 -0.772 -2.195) 9.666 4.810 ( -9.382 -0.772 2.195) 9.666 5.259 ( 3.882 1.225 -7.913) 8.899 5.259 ( 3.882 1.225 7.913) 8.899 5.458 ( 8.592 5.570 -2.733) 10.598 5.458 ( 8.592 5.570 2.733) 10.598 5.612 ( 0.726 -1.953 -4.869) 5.297 5.612 ( 0.726 -1.953 4.869) 5.297 5.956 ( 3.457 1.097 -9.072) 9.771 5.956 ( 3.457 1.097 9.072) 9.771 6.082 ( -1.605 -6.919 -6.555) 9.666 6.082 ( -1.605 -6.919 6.555) 9.666 7.047 ( -0.156 1.726 -5.314) 5.590 7.047 ( -0.156 1.726 5.314) 5.590 7.171 ( -5.120 -2.545 -2.560) 6.265 7.171 ( -5.120 -2.545 2.560) 6.265 7.462 ( -0.694 4.240 -4.528) 6.242 7.462 ( -0.694 4.240 4.528) 6.242 7.760 ( -5.656 -3.701 -12.103) 13.863 7.760 ( -5.656 -3.701 12.103) 13.863 8.243 ( 0.797 -2.214 -10.148) 10.417 8.243 ( 0.797 -2.214 10.148) 10.417 8.802 ( -9.370 10.121 -14.098) 19.723 8.802 ( -9.370 10.121 14.098) 19.723 8.898 ( 0.542 0.693 -10.488) 10.525 8.898 ( 0.542 0.693 10.488) 10.525 10.033 ( -41.417 -1.676 -3.388) 41.589 10.033 ( -41.417 -1.676 3.388) 41.589 10.303 ( -10.742 -3.518 -4.284) 12.088 10.303 ( -10.742 -3.518 4.284) 12.088 10.625 ( -4.205 -2.346 -5.332) 7.184 10.625 ( -4.205 -2.346 5.332) 7.184 11.289 ( -18.731 3.733 -6.486) 20.170 11.289 ( -18.731 3.733 6.486) 20.170 11.434 ( -9.957 -5.363 -2.225) 11.526 11.434 ( -9.957 -5.363 2.225) 11.526 12.160 ( 11.849 -0.723 -0.561) 11.885 12.160 ( 11.849 -0.723 0.561) 11.885 12.932 ( 7.237 0.168 -5.807) 9.281 12.932 ( 7.237 0.168 5.807) 9.281 13.765 ( 20.553 0.351 -5.195) 21.202 13.765 ( 20.553 0.351 5.195) 21.202 15.517 ( -16.565 1.355 -18.108) 24.579 15.517 ( -16.565 1.355 18.108) 24.579 16.120 ( -10.437 -3.204 -3.571) 11.487 16.120 ( -10.437 -3.204 3.571) 11.487 16.433 ( 7.642 -0.937 -11.948) 14.213 16.433 ( 7.642 -0.937 11.948) 14.213 17.411 ( -1.363 0.972 -3.755) 4.111 17.411 ( -1.363 0.972 3.755) 4.111 18.667 ( -6.305 -0.263 -7.600) 9.879 18.667 ( -6.305 -0.263 7.600) 9.879 19.846 ( 13.460 0.957 -5.378) 14.526 19.846 ( 13.460 0.957 5.378) 14.526 25.894 ( -8.039 -2.045 -4.309) 9.348 25.894 ( -8.039 -2.045 4.309) 9.348 26.820 ( 7.762 1.937 -6.324) 10.198 26.820 ( 7.762 1.937 6.324) 10.198 27.891 ( 2.170 -1.143 -1.126) 2.699 27.891 ( 2.170 -1.143 1.126) 2.699 28.915 ( 16.941 4.011 -10.532) 20.347 28.915 ( 16.941 4.011 10.532) 20.347 30.138 ( -37.314 -3.384 -3.696) 37.649 30.138 ( -37.314 -3.384 3.696) 37.649 31.792 ( 13.614 0.389 -2.349) 13.821 31.792 ( 13.614 0.389 2.349) 13.821 ======================= Grid point 326 (99/108) ======================= q-point: (-0.55 0.27 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.600 ( -14.279 10.026 -2.716) 17.657 3.600 ( -14.279 10.026 2.716) 17.657 4.030 ( -7.480 -8.051 -5.606) 12.336 4.030 ( -7.480 -8.051 5.606) 12.336 4.545 ( -0.308 14.571 -3.782) 15.057 4.545 ( -0.308 14.571 3.782) 15.057 4.772 ( 2.726 -0.132 -4.709) 5.443 4.772 ( 2.726 -0.132 4.709) 5.443 5.184 ( -4.553 8.837 -2.545) 10.262 5.184 ( -4.553 8.837 2.545) 10.262 5.583 ( 8.707 -1.240 -9.775) 13.149 5.583 ( 8.707 -1.240 9.775) 13.149 5.665 ( -0.455 -2.335 -7.088) 7.477 5.665 ( -0.455 -2.335 7.088) 7.477 6.036 ( 0.376 -8.333 -7.527) 11.235 6.036 ( 0.376 -8.333 7.527) 11.235 6.155 ( 5.208 -1.676 -5.098) 7.477 6.155 ( 5.208 -1.676 5.098) 7.477 6.917 ( -9.561 4.750 -3.708) 11.301 6.917 ( -9.561 4.750 3.708) 11.301 7.082 ( -8.114 -1.647 -0.680) 8.307 7.082 ( -8.114 -1.647 0.680) 8.307 7.356 ( -4.899 8.238 -8.995) 13.144 7.356 ( -4.899 8.238 8.995) 13.144 7.696 ( -7.988 -1.810 -3.666) 8.974 7.696 ( -7.988 -1.810 3.666) 8.974 8.247 ( -4.509 -0.736 -9.853) 10.860 8.247 ( -4.509 -0.736 9.853) 10.860 8.435 ( -15.610 5.907 -10.591) 19.767 8.435 ( -15.610 5.907 10.591) 19.767 8.922 ( -2.408 2.943 -2.201) 4.394 8.922 ( -2.408 2.943 2.201) 4.394 9.296 ( -31.077 -0.022 -1.565) 31.116 9.296 ( -31.077 -0.022 1.565) 31.116 10.242 ( -5.111 -7.021 -5.846) 10.468 10.242 ( -5.111 -7.021 5.846) 10.468 10.603 ( -3.141 -4.587 -6.198) 8.326 10.603 ( -3.141 -4.587 6.198) 8.326 10.904 ( -20.326 -0.016 -3.492) 20.624 10.904 ( -20.326 -0.016 3.492) 20.624 11.286 ( -13.114 -7.097 -4.287) 15.515 11.286 ( -13.114 -7.097 4.287) 15.515 12.425 ( 16.309 -1.970 -1.880) 16.535 12.425 ( 16.309 -1.970 1.880) 16.535 13.059 ( 7.226 1.073 -3.711) 8.194 13.059 ( 7.226 1.073 3.711) 8.194 14.082 ( 13.947 -0.351 -8.421) 16.296 14.082 ( 13.947 -0.351 8.421) 16.296 15.198 ( -18.031 1.043 -12.704) 22.082 15.198 ( -18.031 1.043 12.704) 22.082 15.857 ( -19.077 -5.583 -1.467) 19.931 15.857 ( -19.077 -5.583 1.467) 19.931 16.697 ( 16.002 -1.305 -2.842) 16.305 16.697 ( 16.002 -1.305 2.842) 16.305 17.345 ( -2.783 0.300 -2.104) 3.501 17.345 ( -2.783 0.300 2.104) 3.501 18.657 ( 4.023 0.973 -4.724) 6.280 18.657 ( 4.023 0.973 4.724) 6.280 20.022 ( 7.166 0.609 -5.273) 8.918 20.022 ( 7.166 0.609 5.273) 8.918 25.783 ( -7.231 -3.698 -3.017) 8.664 25.783 ( -7.231 -3.698 3.017) 8.664 26.940 ( 7.399 2.195 -4.092) 8.736 26.940 ( 7.399 2.195 4.092) 8.736 27.929 ( 1.050 -0.005 -1.831) 2.111 27.929 ( 1.050 -0.005 1.831) 2.111 29.074 ( 3.603 13.263 -8.078) 15.942 29.074 ( 3.603 13.263 8.078) 15.942 29.615 ( -22.486 -11.272 -9.332) 26.829 29.615 ( -22.486 -11.272 9.332) 26.829 32.000 ( 10.334 -0.531 -0.470) 10.358 32.000 ( 10.334 -0.531 0.470) 10.358 ======================= Grid point 328 (100/108) ======================= q-point: (-0.45 0.27 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -13.213 12.464 -14.225) 23.071 3.258 ( -13.213 12.464 14.225) 23.071 3.904 ( -12.891 -3.284 -17.358) 21.869 3.904 ( -12.891 -3.284 17.358) 21.869 4.392 ( 0.599 18.071 -6.276) 19.139 4.392 ( 0.599 18.071 6.276) 19.139 4.797 ( 0.807 5.576 -2.132) 6.024 4.797 ( 0.807 5.576 2.132) 6.024 5.024 ( -5.829 5.246 -10.138) 12.817 5.024 ( -5.829 5.246 10.138) 12.817 5.571 ( -10.795 1.348 -12.286) 16.410 5.571 ( -10.795 1.348 12.286) 16.410 5.736 ( 4.599 -1.415 -3.161) 5.757 5.736 ( 4.599 -1.415 3.161) 5.757 6.112 ( -0.069 -12.482 -7.822) 14.730 6.112 ( -0.069 -12.482 7.822) 14.730 6.247 ( 3.302 1.137 -5.801) 6.771 6.247 ( 3.302 1.137 5.801) 6.771 6.692 ( -9.218 6.484 -6.487) 13.004 6.692 ( -9.218 6.484 6.487) 13.004 6.925 ( -7.421 2.543 -0.692) 7.876 6.925 ( -7.421 2.543 0.692) 7.876 7.142 ( -7.247 13.681 -13.315) 20.420 7.142 ( -7.247 13.681 13.315) 20.420 7.478 ( -14.850 -1.173 -4.843) 15.663 7.478 ( -14.850 -1.173 4.843) 15.663 8.023 ( -8.741 5.063 -5.425) 11.466 8.023 ( -8.741 5.063 5.425) 11.466 8.383 ( -3.774 -10.071 -2.276) 10.993 8.383 ( -3.774 -10.071 2.276) 10.993 8.603 ( -18.185 2.969 -5.757) 19.305 8.603 ( -18.185 2.969 5.757) 19.305 9.186 ( 8.110 0.951 -7.742) 11.252 9.186 ( 8.110 0.951 7.742) 11.252 10.227 ( -3.451 -6.075 -7.081) 9.947 10.227 ( -3.451 -6.075 7.081) 9.947 10.484 ( -14.565 -2.962 -3.725) 15.323 10.484 ( -14.565 -2.962 3.725) 15.323 10.711 ( -4.424 -6.435 -3.663) 8.626 10.711 ( -4.424 -6.435 3.663) 8.626 11.108 ( -15.188 -9.866 -9.508) 20.456 11.108 ( -15.188 -9.866 9.508) 20.456 12.744 ( 16.441 -2.943 -3.460) 17.057 12.744 ( 16.441 -2.943 3.460) 17.057 13.169 ( 7.078 1.085 -2.195) 7.489 13.169 ( 7.078 1.085 2.195) 7.489 14.227 ( 1.334 -1.648 -8.868) 9.118 14.227 ( 1.334 -1.648 8.868) 9.118 14.882 ( -16.858 -0.048 -3.677) 17.255 14.882 ( -16.858 -0.048 3.677) 17.255 15.608 ( -14.372 -6.155 -2.810) 15.886 15.608 ( -14.372 -6.155 2.810) 15.886 16.934 ( 7.625 -2.668 -11.533) 14.081 16.934 ( 7.625 -2.668 11.533) 14.081 17.397 ( 9.558 -0.962 -3.943) 10.384 17.397 ( 9.558 -0.962 3.943) 10.384 18.745 ( 6.939 2.542 -4.301) 8.550 18.745 ( 6.939 2.542 4.301) 8.550 20.084 ( 0.158 -0.123 -3.584) 3.590 20.084 ( 0.158 -0.123 3.584) 3.590 25.711 ( -5.419 -5.334 -1.559) 7.762 25.711 ( -5.419 -5.334 1.559) 7.762 27.019 ( 2.997 1.514 -1.741) 3.782 27.019 ( 2.997 1.514 1.741) 3.782 27.914 ( -2.208 1.331 -0.843) 2.712 27.914 ( -2.208 1.331 0.843) 2.712 28.768 ( -17.007 10.281 -0.270) 19.875 28.768 ( -17.007 10.281 0.270) 19.875 29.614 ( 5.631 -4.228 -19.862) 21.073 29.614 ( 5.631 -4.228 19.862) 21.073 32.175 ( 8.054 -2.922 -2.933) 9.056 32.175 ( 8.054 -2.922 2.933) 9.056 ======================= Grid point 330 (101/108) ======================= q-point: (-0.36 0.27 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( -13.353 13.449 -22.130) 29.136 2.907 ( -13.353 13.449 22.130) 29.136 3.631 ( -12.323 11.851 -30.074) 34.594 3.631 ( -12.323 11.851 30.074) 34.594 4.294 ( 3.728 10.799 -3.710) 12.012 4.294 ( 3.728 10.799 3.710) 12.012 4.665 ( -5.743 13.153 -4.588) 15.068 4.665 ( -5.743 13.153 4.588) 15.068 4.878 ( -8.843 0.169 -12.096) 14.984 4.878 ( -8.843 0.169 12.096) 14.984 5.286 ( -12.402 6.589 -18.228) 23.010 5.286 ( -12.402 6.589 18.228) 23.010 5.819 ( 9.899 11.081 -3.294) 15.220 5.819 ( 9.899 11.081 3.294) 15.220 6.222 ( -2.411 -1.289 -3.011) 4.067 6.222 ( -2.411 -1.289 3.011) 4.067 6.281 ( 2.613 -10.165 -6.530) 12.361 6.281 ( 2.613 -10.165 6.530) 12.361 6.482 ( -6.723 8.102 -11.467) 15.567 6.482 ( -6.723 8.102 11.467) 15.567 6.830 ( -1.932 1.591 -3.556) 4.349 6.830 ( -1.932 1.591 3.556) 4.349 6.973 ( -0.248 4.237 -8.496) 9.497 6.973 ( -0.248 4.237 8.496) 9.497 7.258 ( -12.151 -1.878 -7.109) 14.203 7.258 ( -12.151 -1.878 7.109) 14.203 7.910 ( 0.157 4.532 -5.128) 6.846 7.910 ( 0.157 4.532 5.128) 6.846 8.196 ( -14.155 1.225 -5.945) 15.402 8.196 ( -14.155 1.225 5.945) 15.402 8.539 ( -0.082 -8.304 -3.604) 9.053 8.539 ( -0.082 -8.304 3.604) 9.053 9.390 ( 12.250 -4.016 -8.814) 15.617 9.390 ( 12.250 -4.016 8.814) 15.617 10.215 ( -3.988 -4.484 -3.650) 7.023 10.215 ( -3.988 -4.484 3.650) 7.023 10.311 ( -6.578 -4.766 -4.947) 9.511 10.311 ( -6.578 -4.766 4.947) 9.511 10.675 ( -7.194 -2.371 -11.695) 13.934 10.675 ( -7.194 -2.371 11.695) 13.934 10.979 ( -9.206 -13.906 -8.522) 18.728 10.979 ( -9.206 -13.906 8.522) 18.728 12.992 ( 7.482 -2.764 -4.074) 8.957 12.992 ( 7.482 -2.764 4.074) 8.957 13.334 ( 12.447 -0.486 -5.141) 13.476 13.334 ( 12.447 -0.486 5.141) 13.476 14.180 ( -8.210 -4.394 -4.696) 10.429 14.180 ( -8.210 -4.394 4.696) 10.429 14.627 ( -11.209 0.296 -5.345) 12.421 14.627 ( -11.209 0.296 5.345) 12.421 15.475 ( -6.766 -5.580 -6.218) 10.751 15.475 ( -6.766 -5.580 6.218) 10.751 17.036 ( 1.958 -4.084 -14.563) 15.251 17.036 ( 1.958 -4.084 14.563) 15.251 17.637 ( 12.319 -3.486 -5.232) 13.831 17.637 ( 12.319 -3.486 5.232) 13.831 18.837 ( 6.079 3.547 -6.577) 9.633 18.837 ( 6.079 3.547 6.577) 9.633 20.042 ( -4.119 -0.073 -0.814) 4.200 20.042 ( -4.119 -0.073 0.814) 4.200 25.693 ( -2.852 -7.350 -1.561) 8.037 25.693 ( -2.852 -7.350 1.561) 8.037 27.017 ( -1.707 0.338 -0.389) 1.783 27.017 ( -1.707 0.338 0.389) 1.783 27.842 ( -3.525 1.644 -1.580) 4.199 27.842 ( -3.525 1.644 1.580) 4.199 28.451 ( -7.897 11.026 -3.414) 13.985 28.451 ( -7.897 11.026 3.414) 13.985 29.726 ( 4.881 2.520 -25.542) 26.126 29.726 ( 4.881 2.520 25.542) 26.126 32.337 ( 5.452 -6.578 -5.061) 9.930 32.337 ( 5.452 -6.578 5.061) 9.930 ======================= Grid point 332 (102/108) ======================= q-point: (-0.27 0.27 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 0.000 15.002 -25.413) 29.511 2.633 ( 0.000 15.002 25.413) 29.511 3.362 ( 0.000 20.453 -36.250) 41.622 3.362 ( 0.000 20.453 36.250) 41.622 4.299 ( 0.000 7.257 -4.131) 8.350 4.299 ( 0.000 7.257 4.131) 8.350 4.413 ( 0.000 19.276 -17.037) 25.726 4.413 ( 0.000 19.276 17.037) 25.726 4.770 ( 0.000 0.753 -12.194) 12.218 4.770 ( 0.000 0.753 12.194) 12.218 5.114 ( 0.000 8.122 -20.325) 21.888 5.114 ( 0.000 8.122 20.325) 21.888 5.799 ( 0.000 21.075 -14.468) 25.564 5.799 ( 0.000 21.075 14.468) 25.564 6.154 ( 0.000 2.541 -8.831) 9.189 6.154 ( 0.000 2.541 8.831) 9.189 6.345 ( 0.000 6.136 -9.130) 11.001 6.345 ( 0.000 6.136 9.130) 11.001 6.429 ( -0.000 -11.574 -4.960) 12.592 6.429 ( -0.000 -11.574 4.960) 12.592 6.830 ( -0.000 -5.703 -7.271) 9.241 6.830 ( -0.000 -5.703 7.271) 9.241 7.016 ( -0.000 -0.579 -11.260) 11.275 7.016 ( -0.000 -0.579 11.260) 11.275 7.113 ( -0.000 -1.812 -8.547) 8.736 7.113 ( -0.000 -1.812 8.547) 8.736 7.901 ( 0.000 4.490 -5.757) 7.301 7.901 ( 0.000 4.490 5.757) 7.301 8.040 ( -0.000 -1.310 -5.310) 5.469 8.040 ( -0.000 -1.310 5.310) 5.469 8.605 ( -0.000 -6.104 -5.095) 7.951 8.605 ( -0.000 -6.104 5.095) 7.951 9.596 ( -0.000 -9.982 -7.958) 12.766 9.596 ( -0.000 -9.982 7.958) 12.766 10.210 ( -0.000 -6.262 -5.949) 8.637 10.210 ( -0.000 -6.262 5.949) 8.637 10.310 ( -0.000 -2.453 -12.794) 13.027 10.310 ( -0.000 -2.453 12.794) 13.027 10.566 ( 0.000 1.200 -22.288) 22.321 10.566 ( 0.000 1.200 22.288) 22.321 11.027 ( -0.000 -12.291 -6.531) 13.918 11.027 ( -0.000 -12.291 6.531) 13.918 13.078 ( -0.000 -3.805 -3.131) 4.927 13.078 ( -0.000 -3.805 3.131) 4.927 13.497 ( -0.000 -1.096 -6.022) 6.121 13.497 ( -0.000 -1.096 6.022) 6.121 14.119 ( -0.000 -6.247 -0.199) 6.250 14.119 ( -0.000 -6.247 0.199) 6.250 14.517 ( 0.000 1.001 -9.286) 9.339 14.517 ( 0.000 1.001 9.286) 9.339 15.463 ( -0.000 -5.250 -8.390) 9.897 15.463 ( -0.000 -5.250 8.390) 9.897 17.095 ( -0.000 -5.482 -13.241) 14.331 17.095 ( -0.000 -5.482 13.241) 14.331 17.802 ( -0.000 -5.742 -10.735) 12.174 17.802 ( -0.000 -5.742 10.735) 12.174 18.866 ( 0.000 3.956 -8.560) 9.430 18.866 ( 0.000 3.956 8.560) 9.430 19.990 ( 0.000 0.544 -1.021) 1.157 19.990 ( 0.000 0.544 1.021) 1.157 25.745 ( -0.000 -10.031 -3.542) 10.638 25.745 ( -0.000 -10.031 3.542) 10.638 26.993 ( -0.000 -0.113 -0.181) 0.213 26.993 ( -0.000 -0.113 0.181) 0.213 27.792 ( 0.000 1.917 -1.919) 2.712 27.792 ( 0.000 1.917 1.919) 2.712 28.279 ( 0.000 12.609 -5.178) 13.631 28.279 ( 0.000 12.609 5.178) 13.631 29.724 ( 0.000 7.323 -29.393) 30.291 29.724 ( 0.000 7.323 29.393) 30.291 32.464 ( -0.000 -9.687 -5.897) 11.341 32.464 ( -0.000 -9.687 5.897) 11.341 ======================= Grid point 346 (103/108) ======================= q-point: (-0.64 0.36 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.720 ( -13.903 0.000 -2.148) 14.068 3.720 ( -13.903 0.000 2.148) 14.068 3.930 ( -6.564 0.000 -2.293) 6.953 3.930 ( -6.564 0.000 2.293) 6.953 4.670 ( -3.815 0.000 -0.008) 3.815 4.670 ( -3.815 0.000 0.008) 3.815 4.779 ( 9.296 -0.000 -10.353) 13.914 4.779 ( 9.296 -0.000 10.353) 13.914 5.279 ( -2.209 0.000 -3.204) 3.892 5.279 ( -2.209 0.000 3.204) 3.892 5.522 ( -4.643 0.000 -6.508) 7.994 5.522 ( -4.643 0.000 6.508) 7.994 5.679 ( 6.182 -0.000 -8.456) 10.475 5.679 ( 6.182 -0.000 8.456) 10.475 5.951 ( 0.025 -0.000 -9.134) 9.134 5.951 ( 0.025 -0.000 9.134) 9.134 6.143 ( 7.719 -0.000 -5.703) 9.597 6.143 ( 7.719 -0.000 5.703) 9.597 6.998 ( -11.425 0.000 -4.618) 12.323 6.998 ( -11.425 0.000 4.618) 12.323 7.025 ( -4.709 0.000 -5.832) 7.496 7.025 ( -4.709 0.000 5.832) 7.496 7.427 ( -6.347 0.000 -1.527) 6.528 7.427 ( -6.347 0.000 1.527) 6.528 7.681 ( -1.917 0.000 -9.393) 9.587 7.681 ( -1.917 0.000 9.393) 9.587 8.220 ( -1.934 0.000 -4.705) 5.087 8.220 ( -1.934 0.000 4.705) 5.087 8.525 ( -24.862 0.000 -13.285) 28.189 8.525 ( -24.862 0.000 13.285) 28.189 8.961 ( 0.304 -0.000 -1.324) 1.358 8.961 ( 0.304 -0.000 1.324) 1.358 9.287 ( -31.413 0.000 -1.535) 31.450 9.287 ( -31.413 0.000 1.535) 31.450 10.164 ( -5.207 0.000 -3.925) 6.521 10.164 ( -5.207 0.000 3.925) 6.521 10.559 ( -3.008 0.000 -4.755) 5.626 10.559 ( -3.008 0.000 4.755) 5.626 10.909 ( -22.951 0.000 -4.131) 23.319 10.909 ( -22.951 0.000 4.131) 23.319 11.218 ( -12.430 0.000 -4.743) 13.304 11.218 ( -12.430 0.000 4.743) 13.304 12.407 ( 16.134 -0.000 -1.870) 16.242 12.407 ( 16.134 -0.000 1.870) 16.242 13.070 ( 7.345 -0.000 -3.555) 8.160 13.070 ( 7.345 -0.000 3.555) 8.160 14.079 ( 13.575 -0.000 -8.460) 15.995 14.079 ( 13.575 -0.000 8.460) 15.995 15.209 ( -18.684 0.000 -12.738) 22.613 15.209 ( -18.684 0.000 12.738) 22.613 15.805 ( -18.591 0.000 -1.057) 18.621 15.805 ( -18.591 0.000 1.057) 18.621 16.685 ( 15.845 -0.000 -2.731) 16.078 16.685 ( 15.845 -0.000 2.731) 16.078 17.347 ( -3.423 0.000 -2.032) 3.981 17.347 ( -3.423 0.000 2.032) 3.981 18.667 ( 4.713 -0.000 -3.644) 5.958 18.667 ( 4.713 -0.000 3.644) 5.958 20.028 ( 6.664 -0.000 -5.051) 8.362 20.028 ( 6.664 -0.000 5.051) 8.362 25.750 ( -7.128 0.000 -4.015) 8.181 25.750 ( -7.128 0.000 4.015) 8.181 26.961 ( 6.773 -0.000 -5.080) 8.467 26.961 ( 6.773 -0.000 5.080) 8.467 27.929 ( 1.865 -0.000 -2.143) 2.841 27.929 ( 1.865 -0.000 2.143) 2.841 29.236 ( 15.304 -0.000 -13.836) 20.632 29.236 ( 15.304 -0.000 13.836) 20.632 29.470 ( -33.565 0.000 -3.547) 33.752 29.470 ( -33.565 0.000 3.547) 33.752 31.995 ( 9.659 -0.000 -0.005) 9.659 31.995 ( 9.659 -0.000 0.005) 9.659 ======================= Grid point 350 (104/108) ======================= q-point: (-0.55 0.36 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( -13.636 7.472 -7.247) 17.155 3.449 ( -13.636 7.472 7.247) 17.155 3.812 ( -8.129 -4.674 -13.440) 16.388 3.812 ( -8.129 -4.674 13.440) 16.388 4.630 ( 0.240 6.160 -2.439) 6.630 4.630 ( 0.240 6.160 2.439) 6.630 4.886 ( 4.527 4.960 -12.827) 14.479 4.886 ( 4.527 4.960 12.827) 14.479 5.155 ( -8.297 7.398 -1.948) 11.286 5.155 ( -8.297 7.398 1.948) 11.286 5.435 ( -10.564 -10.290 -1.647) 14.839 5.435 ( -10.564 -10.290 1.647) 14.839 5.716 ( -0.620 -2.476 -5.281) 5.866 5.716 ( -0.620 -2.476 5.281) 5.866 6.005 ( 4.918 -0.416 -7.142) 8.682 6.005 ( 4.918 -0.416 7.142) 8.682 6.257 ( 4.068 0.198 -3.264) 5.219 6.257 ( 4.068 0.198 3.264) 5.219 6.783 ( -9.094 3.567 -3.710) 10.450 6.783 ( -9.094 3.567 3.710) 10.450 6.927 ( -6.653 -1.128 -4.872) 8.323 6.927 ( -6.653 -1.128 4.872) 8.323 7.261 ( -11.011 0.366 -4.928) 12.069 7.261 ( -11.011 0.366 4.928) 12.069 7.600 ( -5.175 9.649 -6.227) 12.596 7.600 ( -5.175 9.649 6.227) 12.596 8.071 ( -15.509 -0.023 -8.384) 17.630 8.071 ( -15.509 -0.023 8.384) 17.630 8.230 ( -3.301 -5.068 -0.876) 6.111 8.230 ( -3.301 -5.068 0.876) 6.111 8.682 ( -18.622 4.171 -7.356) 20.452 8.682 ( -18.622 4.171 7.356) 20.452 9.195 ( 7.489 -0.114 -6.149) 9.691 9.195 ( 7.489 -0.114 6.149) 9.691 10.113 ( -3.195 -4.898 -4.260) 7.235 10.113 ( -3.195 -4.898 4.260) 7.235 10.438 ( -15.314 -1.701 -3.049) 15.707 10.438 ( -15.314 -1.701 3.049) 15.707 10.624 ( -5.978 -2.693 -1.202) 6.666 10.624 ( -5.978 -2.693 1.202) 6.666 10.991 ( -14.853 -3.180 -11.892) 19.291 10.991 ( -14.853 -3.180 11.892) 19.291 12.708 ( 16.845 -1.005 -3.988) 17.340 12.708 ( 16.845 -1.005 3.988) 17.340 13.184 ( 6.404 0.483 -1.744) 6.655 13.184 ( 6.404 0.483 1.744) 6.655 14.207 ( 0.226 -0.605 -9.262) 9.284 14.207 ( 0.226 -0.605 9.262) 9.284 14.885 ( -17.229 0.152 -3.130) 17.511 14.885 ( -17.229 0.152 3.130) 17.511 15.529 ( -13.159 -2.405 -1.917) 13.514 15.529 ( -13.159 -2.405 1.917) 13.514 16.903 ( 7.356 -0.843 -11.450) 13.635 16.903 ( 7.356 -0.843 11.450) 13.635 17.383 ( 8.337 -0.449 -3.907) 9.218 17.383 ( 8.337 -0.449 3.907) 9.218 18.778 ( 7.456 1.020 -1.453) 7.664 18.778 ( 7.456 1.020 1.453) 7.664 20.083 ( -0.122 -0.001 -3.318) 3.321 20.083 ( -0.122 -0.001 3.318) 3.321 25.647 ( -5.335 -1.789 -3.477) 6.615 25.647 ( -5.335 -1.789 3.477) 6.615 27.039 ( 1.996 0.589 -2.989) 3.642 27.039 ( 1.996 0.589 2.989) 3.642 27.930 ( -2.036 0.410 -1.040) 2.323 27.930 ( -2.036 0.410 1.040) 2.323 28.910 ( -21.272 4.802 -2.389) 21.938 28.910 ( -21.272 4.802 2.389) 21.938 29.543 ( 12.698 -2.794 -16.212) 20.781 29.543 ( 12.698 -2.794 16.212) 20.781 32.140 ( 6.595 -0.961 -2.131) 6.997 32.140 ( 6.595 -0.961 2.131) 6.997 ======================= Grid point 352 (105/108) ======================= q-point: (-0.45 0.36 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -15.230 8.816 -14.453) 22.772 3.111 ( -15.230 8.816 14.453) 22.772 3.735 ( -3.075 2.027 -23.907) 24.189 3.735 ( -3.075 2.027 23.907) 24.189 4.496 ( -6.332 9.814 -6.869) 13.550 4.496 ( -6.332 9.814 6.869) 13.550 4.858 ( -2.119 3.496 -9.077) 9.955 4.858 ( -2.119 3.496 9.077) 9.955 4.918 ( -7.450 9.455 -1.431) 12.122 4.918 ( -7.450 9.455 1.431) 12.122 5.337 ( -5.932 -1.612 -14.268) 15.535 5.337 ( -5.932 -1.612 14.268) 15.535 5.784 ( 1.188 -12.598 -5.112) 13.648 5.784 ( 1.188 -12.598 5.112) 13.648 6.121 ( 8.216 1.409 -5.455) 9.962 6.121 ( 8.216 1.409 5.455) 9.962 6.273 ( -0.872 0.662 -7.554) 7.633 6.273 ( -0.872 0.662 7.554) 7.633 6.604 ( -8.370 4.885 -6.846) 11.865 6.604 ( -8.370 4.885 6.846) 11.865 6.866 ( -0.023 0.688 -1.818) 1.944 6.866 ( -0.023 0.688 1.818) 1.944 7.072 ( -8.351 1.624 -8.217) 11.828 7.072 ( -8.351 1.624 8.217) 11.828 7.374 ( -4.188 17.035 -4.833) 18.196 7.374 ( -4.188 17.035 4.833) 18.196 7.954 ( -0.560 -0.755 -4.398) 4.498 7.954 ( -0.560 -0.755 4.398) 4.498 8.198 ( -9.301 -3.724 -4.367) 10.929 8.198 ( -9.301 -3.724 4.367) 10.929 8.429 ( -4.843 -0.480 -5.895) 7.644 8.429 ( -4.843 -0.480 5.895) 7.644 9.352 ( 8.936 -0.860 -7.385) 11.624 9.352 ( 8.936 -0.860 7.385) 11.624 10.125 ( -2.339 -5.593 -4.059) 7.296 10.125 ( -2.339 -5.593 4.059) 7.296 10.207 ( -10.175 -5.697 -1.245) 11.728 10.207 ( -10.175 -5.697 1.245) 11.728 10.622 ( -1.204 -4.050 -5.975) 7.318 10.622 ( -1.204 -4.050 5.975) 7.318 10.775 ( -12.743 -6.834 -14.720) 20.634 10.775 ( -12.743 -6.834 14.720) 20.634 12.960 ( 8.879 -0.987 -6.544) 11.074 12.960 ( 8.879 -0.987 6.544) 11.074 13.327 ( 11.022 -0.288 -6.188) 12.643 13.327 ( 11.022 -0.288 6.188) 12.643 14.116 ( -10.374 -2.625 -5.339) 11.959 14.116 ( -10.374 -2.625 5.339) 11.959 14.633 ( -10.361 0.319 -5.999) 11.976 14.633 ( -10.361 0.319 5.999) 11.976 15.394 ( -5.499 -3.329 -4.950) 8.113 15.394 ( -5.499 -3.329 4.950) 8.113 16.984 ( 1.902 -1.814 -15.298) 15.523 16.984 ( 1.902 -1.814 15.298) 15.523 17.586 ( 10.599 -2.058 -2.710) 11.131 17.586 ( 10.599 -2.058 2.710) 11.131 18.887 ( 5.947 2.021 -3.720) 7.300 18.887 ( 5.947 2.021 3.720) 7.300 20.043 ( -3.557 0.048 -0.576) 3.603 20.043 ( -3.557 0.048 0.576) 3.603 25.598 ( -2.896 -3.483 -2.649) 5.247 25.598 ( -2.896 -3.483 2.649) 5.247 27.023 ( -2.558 0.246 -0.748) 2.677 27.023 ( -2.558 0.246 0.748) 2.677 27.864 ( -3.612 0.822 -2.317) 4.369 27.864 ( -3.612 0.822 2.317) 4.369 28.619 ( -6.974 7.254 -3.470) 10.644 28.619 ( -6.974 7.254 3.470) 10.644 29.738 ( 7.278 -0.509 -20.380) 21.646 29.738 ( 7.278 -0.509 20.380) 21.646 32.250 ( 3.803 -3.254 -3.956) 6.380 32.250 ( 3.803 -3.254 3.956) 6.380 ======================= Grid point 354 (106/108) ======================= q-point: (-0.36 0.36 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 0.000 10.550 -18.293) 21.117 2.864 ( 0.000 10.550 18.293) 21.117 3.636 ( 0.000 11.448 -31.703) 33.707 3.636 ( 0.000 11.448 31.703) 33.707 4.384 ( 0.000 2.449 -10.951) 11.221 4.384 ( 0.000 2.449 10.951) 11.221 4.731 ( 0.000 16.452 -5.837) 17.457 4.731 ( 0.000 16.452 5.837) 17.457 4.803 ( 0.000 2.616 -7.836) 8.261 4.803 ( 0.000 2.616 7.836) 8.261 5.260 ( 0.000 6.441 -18.989) 20.051 5.260 ( 0.000 6.441 18.989) 20.051 5.932 ( -0.000 -11.582 -8.067) 14.115 5.932 ( -0.000 -11.582 8.067) 14.115 6.205 ( 0.000 2.885 -8.213) 8.705 6.205 ( 0.000 2.885 8.213) 8.705 6.253 ( -0.000 -1.439 -11.046) 11.139 6.253 ( -0.000 -1.439 11.046) 11.139 6.451 ( 0.000 5.489 -7.801) 9.539 6.451 ( 0.000 5.489 7.801) 9.539 6.848 ( 0.000 5.149 -3.774) 6.384 6.848 ( 0.000 5.149 3.774) 6.384 6.999 ( -0.000 -1.203 -8.900) 8.981 6.999 ( -0.000 -1.203 8.900) 8.981 7.190 ( 0.000 12.865 -5.300) 13.914 7.190 ( 0.000 12.865 5.300) 13.914 8.016 ( 0.000 5.924 -4.615) 7.509 8.016 ( 0.000 5.924 4.615) 7.509 8.019 ( -0.000 -1.026 -6.713) 6.791 8.019 ( -0.000 -1.026 6.713) 6.791 8.459 ( -0.000 -8.692 -4.942) 9.998 8.459 ( -0.000 -8.692 4.942) 9.998 9.473 ( -0.000 -4.143 -6.680) 7.861 9.473 ( -0.000 -4.143 6.680) 7.861 10.108 ( -0.000 -4.907 -5.242) 7.180 10.108 ( -0.000 -4.907 5.242) 7.180 10.223 ( -0.000 -7.370 -9.132) 11.735 10.223 ( -0.000 -7.370 9.132) 11.735 10.586 ( 0.000 1.009 -23.507) 23.528 10.586 ( 0.000 1.009 23.507) 23.528 10.774 ( -0.000 -14.168 -4.704) 14.928 10.774 ( -0.000 -14.168 4.704) 14.928 13.037 ( -0.000 -1.047 -6.437) 6.521 13.037 ( -0.000 -1.047 6.437) 6.521 13.481 ( -0.000 -0.755 -8.815) 8.847 13.481 ( -0.000 -0.755 8.815) 8.847 14.015 ( -0.000 -5.141 -0.353) 5.153 14.015 ( -0.000 -5.141 0.353) 5.153 14.534 ( 0.000 0.834 -9.696) 9.731 14.534 ( 0.000 0.834 9.696) 9.731 15.379 ( -0.000 -3.961 -6.998) 8.041 15.379 ( -0.000 -3.961 6.998) 8.041 17.021 ( -0.000 -2.895 -15.051) 15.327 17.021 ( -0.000 -2.895 15.051) 15.327 17.717 ( -0.000 -3.788 -7.224) 8.157 17.717 ( -0.000 -3.788 7.224) 8.157 18.926 ( 0.000 2.662 -5.755) 6.341 18.926 ( 0.000 2.662 5.755) 6.341 19.999 ( 0.000 0.450 -1.099) 1.188 19.999 ( 0.000 0.450 1.099) 1.188 25.611 ( -0.000 -5.353 -1.522) 5.565 25.611 ( -0.000 -5.353 1.522) 5.565 26.991 ( -0.000 -0.086 -0.121) 0.149 26.991 ( -0.000 -0.086 0.121) 0.149 27.820 ( 0.000 1.265 -3.441) 3.666 27.820 ( 0.000 1.265 3.441) 3.666 28.487 ( 0.000 10.199 -4.237) 11.044 28.487 ( 0.000 10.199 4.237) 11.044 29.797 ( 0.000 1.595 -23.927) 23.981 29.797 ( 0.000 1.595 23.927) 23.981 32.327 ( -0.000 -5.798 -5.052) 7.690 32.327 ( -0.000 -5.798 5.052) 7.690 ======================= Grid point 372 (107/108) ======================= q-point: (-0.55 0.45 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( -17.214 0.000 -10.430) 20.127 3.194 ( -17.214 0.000 10.430) 20.127 3.748 ( 2.358 -0.000 -21.607) 21.735 3.748 ( 2.358 -0.000 21.607) 21.735 4.591 ( -12.532 0.000 -12.435) 17.654 4.591 ( -12.532 0.000 12.435) 17.654 4.870 ( -5.277 0.000 -14.488) 15.419 4.870 ( -5.277 0.000 14.488) 15.419 5.072 ( -1.011 0.000 -1.376) 1.707 5.072 ( -1.011 0.000 1.376) 1.707 5.271 ( -2.300 0.000 -1.000) 2.508 5.271 ( -2.300 0.000 1.000) 2.508 5.642 ( -2.972 0.000 -4.778) 5.627 5.642 ( -2.972 0.000 4.778) 5.627 6.154 ( 9.858 -0.000 -5.897) 11.487 6.154 ( 9.858 -0.000 5.897) 11.487 6.277 ( -1.211 0.000 -8.064) 8.154 6.277 ( -1.211 0.000 8.064) 8.154 6.649 ( -8.608 0.000 -5.258) 10.087 6.649 ( -8.608 0.000 5.258) 10.087 6.869 ( 0.596 -0.000 -3.284) 3.338 6.869 ( 0.596 -0.000 3.284) 3.338 7.071 ( -8.902 0.000 -3.943) 9.736 7.071 ( -8.902 0.000 3.943) 9.736 7.611 ( -1.766 0.000 -1.804) 2.525 7.611 ( -1.766 0.000 1.804) 2.525 7.900 ( -1.236 0.000 -3.716) 3.916 7.900 ( -1.236 0.000 3.716) 3.916 8.135 ( -6.639 0.000 -2.854) 7.227 8.135 ( -6.639 0.000 2.854) 7.227 8.461 ( -8.250 0.000 -6.528) 10.520 8.461 ( -8.250 0.000 6.528) 10.520 9.345 ( 8.085 -0.000 -6.405) 10.315 9.345 ( 8.085 -0.000 6.405) 10.315 10.055 ( -0.778 0.000 -2.812) 2.917 10.055 ( -0.778 0.000 2.812) 2.917 10.155 ( -12.640 0.000 -2.402) 12.867 10.155 ( -12.640 0.000 2.402) 12.867 10.572 ( -0.556 0.000 -0.802) 0.976 10.572 ( -0.556 0.000 0.802) 0.976 10.727 ( -12.551 0.000 -19.965) 23.583 10.727 ( -12.551 0.000 19.965) 23.583 12.952 ( 9.582 -0.000 -7.504) 12.171 12.952 ( 9.582 -0.000 7.504) 12.171 13.325 ( 10.375 -0.000 -6.649) 12.323 13.325 ( 10.375 -0.000 6.649) 12.323 14.092 ( -11.209 0.000 -5.614) 12.536 14.092 ( -11.209 0.000 5.614) 12.536 14.637 ( -10.138 0.000 -6.192) 11.879 14.637 ( -10.138 0.000 6.192) 11.879 15.363 ( -4.980 0.000 -4.398) 6.644 15.363 ( -4.980 0.000 4.398) 6.644 16.969 ( 1.885 -0.000 -15.378) 15.493 16.969 ( 1.885 -0.000 15.378) 15.493 17.568 ( 10.062 -0.000 -1.399) 10.159 17.568 ( 10.062 -0.000 1.399) 10.159 18.906 ( 5.831 -0.000 -1.771) 6.094 18.906 ( 5.831 -0.000 1.771) 6.094 20.043 ( -3.374 0.000 -0.460) 3.405 20.043 ( -3.374 0.000 0.460) 3.405 25.567 ( -2.847 0.000 -3.715) 4.680 25.567 ( -2.847 0.000 3.715) 4.680 27.025 ( -2.890 0.000 -0.918) 3.033 27.025 ( -2.890 0.000 0.918) 3.033 27.871 ( -3.578 0.000 -2.615) 4.432 27.871 ( -3.578 0.000 2.615) 4.432 28.687 ( -6.792 0.000 -4.445) 8.117 28.687 ( -6.792 0.000 4.445) 8.117 29.730 ( 8.145 -0.000 -17.870) 19.638 29.730 ( 8.145 -0.000 17.870) 19.638 32.221 ( 3.270 -0.000 -3.440) 4.746 32.221 ( 3.270 -0.000 3.440) 4.746 ======================= Grid point 376 (108/108) ======================= q-point: (-0.45 0.45 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 0.000 3.827 -12.955) 13.508 2.994 ( 0.000 3.827 12.955) 13.508 3.779 ( 0.000 4.355 -24.737) 25.117 3.779 ( 0.000 4.355 24.737) 25.117 4.403 ( 0.000 0.255 -21.912) 21.913 4.403 ( 0.000 0.255 21.912) 21.913 4.842 ( 0.000 1.318 -7.586) 7.699 4.842 ( 0.000 1.318 7.586) 7.699 5.000 ( 0.000 12.889 -3.741) 13.421 5.000 ( 0.000 12.889 3.741) 13.421 5.287 ( -0.000 -3.850 -9.800) 10.529 5.287 ( -0.000 -3.850 9.800) 10.529 5.663 ( -0.000 -10.777 -2.110) 10.981 5.663 ( -0.000 -10.777 2.110) 10.981 6.245 ( 0.000 1.299 -8.101) 8.205 6.245 ( 0.000 1.299 8.101) 8.205 6.281 ( 0.000 1.624 -9.398) 9.537 6.281 ( 0.000 1.624 9.398) 9.537 6.525 ( 0.000 2.414 -6.375) 6.817 6.525 ( 0.000 2.414 6.375) 6.817 6.896 ( 0.000 0.723 -2.213) 2.328 6.896 ( 0.000 0.723 2.213) 2.328 6.979 ( -0.000 -0.774 -5.815) 5.866 6.979 ( -0.000 -0.774 5.815) 5.866 7.509 ( 0.000 16.594 -4.388) 17.164 7.509 ( 0.000 16.594 4.388) 17.164 8.002 ( -0.000 -7.054 -2.473) 7.475 8.002 ( -0.000 -7.054 2.473) 7.475 8.006 ( -0.000 -0.388 -7.559) 7.569 8.006 ( -0.000 -0.388 7.559) 7.569 8.391 ( 0.000 0.980 -6.379) 6.454 8.391 ( 0.000 0.980 6.379) 6.454 9.431 ( -0.000 -0.989 -5.555) 5.642 9.431 ( -0.000 -0.989 5.555) 5.642 10.046 ( -0.000 -1.858 -4.692) 5.047 10.046 ( -0.000 -1.858 4.692) 5.047 10.082 ( -0.000 -6.176 -4.294) 7.522 10.082 ( -0.000 -6.176 4.294) 7.522 10.592 ( -0.000 -5.329 -1.881) 5.652 10.592 ( -0.000 -5.329 1.881) 5.652 10.599 ( 0.000 0.398 -24.158) 24.162 10.599 ( 0.000 0.398 24.158) 24.162 13.029 ( -0.000 -0.068 -9.009) 9.010 13.029 ( -0.000 -0.068 9.009) 9.010 13.471 ( -0.000 -0.323 -10.782) 10.787 13.471 ( -0.000 -0.323 10.782) 10.787 13.949 ( -0.000 -1.996 -0.540) 2.068 13.949 ( -0.000 -1.996 0.540) 2.068 14.545 ( 0.000 0.318 -9.895) 9.900 14.545 ( 0.000 0.318 9.895) 9.900 15.330 ( -0.000 -1.462 -5.956) 6.133 15.330 ( -0.000 -1.462 5.956) 6.133 16.988 ( -0.000 -0.888 -15.459) 15.485 16.988 ( -0.000 -0.888 15.459) 15.485 17.671 ( -0.000 -1.360 -5.213) 5.387 17.671 ( -0.000 -1.360 5.213) 5.387 18.958 ( 0.000 0.932 -3.048) 3.187 18.958 ( 0.000 0.932 3.048) 3.187 20.005 ( 0.000 0.176 -1.148) 1.161 20.005 ( 0.000 0.176 1.148) 1.161 25.549 ( -0.000 -1.688 -3.463) 3.853 25.549 ( -0.000 -1.688 3.463) 3.853 26.990 ( -0.000 -0.032 -0.053) 0.062 26.990 ( -0.000 -0.032 0.053) 0.062 27.836 ( 0.000 0.460 -4.325) 4.349 27.836 ( 0.000 0.460 4.325) 4.349 28.618 ( 0.000 4.060 -5.040) 6.472 28.618 ( 0.000 4.060 5.040) 6.472 29.804 ( -0.000 -0.182 -19.409) 19.410 29.804 ( -0.000 -0.182 19.409) 19.410 32.259 ( -0.000 -1.897 -4.106) 4.523 32.259 ( -0.000 -1.897 4.106) 4.523 =================== 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 3/34848 10.0 1926.145 9259.438 941.080 0.000 0.000 0.000 3/34848 20.0 1468.400 1784.954 1347.095 0.000 0.000 0.000 3/34848 30.0 427.576 461.964 425.020 0.000 0.000 -0.000 3/34848 40.0 182.065 186.068 178.375 0.000 0.000 -0.000 3/34848 50.0 101.880 99.568 97.300 0.000 0.000 -0.000 3/34848 60.0 66.910 63.174 62.647 0.000 0.000 -0.000 3/34848 70.0 48.536 44.632 44.816 0.000 0.000 -0.000 3/34848 80.0 37.626 33.870 34.369 0.000 0.000 -0.000 3/34848 90.0 30.575 27.021 27.657 0.000 0.000 -0.000 3/34848 100.0 25.726 22.357 23.047 0.000 0.000 -0.000 3/34848 110.0 22.229 19.011 19.716 0.000 0.000 -0.000 3/34848 120.0 19.607 16.513 17.213 0.000 0.000 -0.000 3/34848 130.0 17.580 14.587 15.272 0.000 0.000 -0.000 3/34848 140.0 15.969 13.062 13.727 0.000 0.000 -0.000 3/34848 150.0 14.662 11.828 12.471 0.000 0.000 -0.000 3/34848 160.0 13.579 10.811 11.431 0.000 0.000 -0.000 3/34848 170.0 12.668 9.959 10.558 0.000 0.000 -0.000 3/34848 180.0 11.890 9.236 9.814 0.000 0.000 -0.000 3/34848 190.0 11.217 8.615 9.172 0.000 0.000 -0.000 3/34848 200.0 10.629 8.076 8.614 0.000 0.000 -0.000 3/34848 210.0 10.110 7.604 8.124 0.000 0.000 -0.000 3/34848 220.0 9.649 7.188 7.690 0.000 0.000 -0.000 3/34848 230.0 9.235 6.818 7.304 0.000 0.000 -0.000 3/34848 240.0 8.861 6.487 6.957 0.000 0.000 -0.000 3/34848 250.0 8.522 6.188 6.643 0.000 0.000 -0.000 3/34848 260.0 8.212 5.918 6.359 0.000 0.000 -0.000 3/34848 270.0 7.927 5.673 6.100 0.000 0.000 -0.000 3/34848 280.0 7.665 5.449 5.863 0.000 0.000 -0.000 3/34848 290.0 7.422 5.243 5.645 0.000 0.000 -0.000 3/34848 300.0 7.197 5.053 5.443 0.000 0.000 -0.000 3/34848 310.0 6.987 4.878 5.257 0.000 0.000 -0.000 3/34848 320.0 6.790 4.715 5.084 0.000 0.000 -0.000 3/34848 330.0 6.605 4.564 4.923 0.000 0.000 -0.000 3/34848 340.0 6.432 4.423 4.772 0.000 0.000 -0.000 3/34848 350.0 6.268 4.291 4.631 0.000 0.000 -0.000 3/34848 360.0 6.114 4.167 4.499 0.000 0.000 -0.000 3/34848 370.0 5.967 4.051 4.374 0.000 0.000 -0.000 3/34848 380.0 5.829 3.941 4.257 0.000 0.000 -0.000 3/34848 390.0 5.697 3.838 4.146 0.000 0.000 -0.000 3/34848 400.0 5.571 3.740 4.041 0.000 0.000 -0.000 3/34848 410.0 5.451 3.648 3.941 0.000 0.000 -0.000 3/34848 420.0 5.336 3.560 3.846 0.000 0.000 -0.000 3/34848 430.0 5.227 3.476 3.757 0.000 0.000 -0.000 3/34848 440.0 5.122 3.397 3.671 0.000 0.000 -0.000 3/34848 450.0 5.021 3.321 3.589 0.000 0.000 -0.000 3/34848 460.0 4.925 3.249 3.512 0.000 0.000 -0.000 3/34848 470.0 4.832 3.180 3.437 0.000 0.000 -0.000 3/34848 480.0 4.743 3.113 3.366 0.000 0.000 -0.000 3/34848 490.0 4.657 3.050 3.298 0.000 0.000 -0.000 3/34848 500.0 4.574 2.989 3.232 0.000 0.000 -0.000 3/34848 510.0 4.494 2.931 3.169 0.000 0.000 -0.000 3/34848 520.0 4.417 2.875 3.109 0.000 0.000 -0.000 3/34848 530.0 4.343 2.822 3.051 0.000 0.000 -0.000 3/34848 540.0 4.271 2.770 2.995 0.000 0.000 -0.000 3/34848 550.0 4.202 2.720 2.941 0.000 0.000 -0.000 3/34848 560.0 4.134 2.672 2.889 0.000 0.000 -0.000 3/34848 570.0 4.069 2.626 2.839 0.000 0.000 -0.000 3/34848 580.0 4.006 2.581 2.791 0.000 0.000 -0.000 3/34848 590.0 3.945 2.538 2.744 0.000 0.000 -0.000 3/34848 600.0 3.885 2.496 2.699 0.000 0.000 -0.000 3/34848 610.0 3.828 2.456 2.656 0.000 0.000 -0.000 3/34848 620.0 3.772 2.417 2.613 0.000 0.000 -0.000 3/34848 630.0 3.717 2.379 2.573 0.000 0.000 -0.000 3/34848 640.0 3.665 2.342 2.533 0.000 0.000 -0.000 3/34848 650.0 3.613 2.307 2.495 0.000 0.000 -0.000 3/34848 660.0 3.563 2.272 2.457 0.000 0.000 -0.000 3/34848 670.0 3.515 2.239 2.421 0.000 0.000 -0.000 3/34848 680.0 3.467 2.207 2.386 0.000 0.000 -0.000 3/34848 690.0 3.421 2.175 2.352 0.000 0.000 -0.000 3/34848 700.0 3.376 2.145 2.319 0.000 0.000 -0.000 3/34848 710.0 3.333 2.115 2.287 0.000 0.000 -0.000 3/34848 720.0 3.290 2.086 2.256 0.000 0.000 -0.000 3/34848 730.0 3.248 2.058 2.225 0.000 0.000 -0.000 3/34848 740.0 3.208 2.030 2.196 0.000 0.000 -0.000 3/34848 750.0 3.168 2.004 2.167 0.000 0.000 -0.000 3/34848 760.0 3.130 1.978 2.139 0.000 0.000 -0.000 3/34848 770.0 3.092 1.953 2.111 0.000 0.000 -0.000 3/34848 780.0 3.055 1.928 2.085 0.000 0.000 -0.000 3/34848 790.0 3.019 1.904 2.059 0.000 0.000 -0.000 3/34848 800.0 2.984 1.881 2.033 0.000 0.000 -0.000 3/34848 810.0 2.950 1.858 2.009 0.000 0.000 -0.000 3/34848 820.0 2.916 1.835 1.985 0.000 0.000 -0.000 3/34848 830.0 2.883 1.814 1.961 0.000 0.000 -0.000 3/34848 840.0 2.851 1.792 1.938 0.000 0.000 -0.000 3/34848 850.0 2.820 1.772 1.916 0.000 0.000 -0.000 3/34848 860.0 2.789 1.751 1.894 0.000 0.000 -0.000 3/34848 870.0 2.759 1.731 1.872 0.000 0.000 -0.000 3/34848 880.0 2.729 1.712 1.851 0.000 0.000 -0.000 3/34848 890.0 2.701 1.693 1.831 0.000 0.000 -0.000 3/34848 900.0 2.672 1.675 1.811 0.000 0.000 -0.000 3/34848 910.0 2.645 1.656 1.791 0.000 0.000 -0.000 3/34848 920.0 2.617 1.639 1.772 0.000 0.000 -0.000 3/34848 930.0 2.591 1.621 1.753 0.000 0.000 -0.000 3/34848 940.0 2.565 1.604 1.735 0.000 0.000 -0.000 3/34848 950.0 2.539 1.588 1.717 0.000 0.000 -0.000 3/34848 960.0 2.514 1.571 1.699 0.000 0.000 -0.000 3/34848 970.0 2.490 1.555 1.682 0.000 0.000 -0.000 3/34848 980.0 2.465 1.540 1.665 0.000 0.000 -0.000 3/34848 990.0 2.442 1.524 1.648 0.000 0.000 -0.000 3/34848 1000.0 2.419 1.509 1.632 0.000 0.000 -0.000 3/34848 Thermal conductivity related properties were written into "kappa-m11114.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:12:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|