----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:28:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pccn (56) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.872084260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.079910630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.859732500000000 Atomic positions (fractional): *1 Na 0.47112476997647 0.65776157633994 0.53833094394125 22.990 2 Na 0.02887523002353 0.84223842366006 0.53833094394125 22.990 3 Na 0.47112476997647 0.84223842366006 0.03833094394125 22.990 4 Na 0.97112476997647 0.15776157633994 0.46166905605875 22.990 5 Na 0.02887523002353 0.65776157633994 0.03833094394125 22.990 6 Na 0.52887523002353 0.34223842366006 0.46166905605875 22.990 7 Na 0.97112476997647 0.34223842366006 0.96166905605875 22.990 8 Na 0.52887523002353 0.15776157633994 0.96166905605875 22.990 *9 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 10 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 11 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 12 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 *13 O 0.81448454347790 0.52712548657951 0.81282998856503 15.999 *14 O 0.43413993863313 0.84413125518382 0.46900054544125 15.999 15 O 0.68551545652210 0.52712548657951 0.31282998856504 15.999 16 O 0.31448454347790 0.02712548657951 0.18717001143497 15.999 17 O 0.93413993863313 0.34413125518382 0.53099945455875 15.999 18 O 0.06586006136687 0.65586874481618 0.46900054544125 15.999 19 O 0.18551545652210 0.02712548657951 0.68717001143497 15.999 20 O 0.18551545652210 0.47287451342049 0.18717001143497 15.999 21 O 0.56586006136687 0.34413125518382 0.03099945455875 15.999 22 O 0.31448454347790 0.47287451342049 0.68717001143497 15.999 23 O 0.81448454347790 0.97287451342049 0.31282998856504 15.999 24 O 0.93413993863313 0.15586874481618 0.03099945455875 15.999 25 O 0.43413993863313 0.65586874481618 0.96900054544125 15.999 26 O 0.68551545652210 0.97287451342049 0.81282998856503 15.999 27 O 0.56586006136687 0.15586874481618 0.53099945455875 15.999 28 O 0.06586006136687 0.84413125518382 0.96900054544125 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.872084260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.079910630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.859732500000000 Atomic positions (fractional): *1 Na 0.47112476997647 0.65776157633994 0.53833094394125 22.990 > 1 2 Na 0.02887523002353 0.84223842366006 0.53833094394125 22.990 > 2 3 Na 0.47112476997647 0.84223842366006 0.03833094394125 22.990 > 3 4 Na 0.97112476997647 0.15776157633994 0.46166905605875 22.990 > 4 5 Na 0.02887523002353 0.65776157633994 0.03833094394125 22.990 > 5 6 Na 0.52887523002353 0.34223842366006 0.46166905605875 22.990 > 6 7 Na 0.97112476997647 0.34223842366006 0.96166905605875 22.990 > 7 8 Na 0.52887523002353 0.15776157633994 0.96166905605875 22.990 > 8 *9 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 9 10 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 10 11 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 > 11 12 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 > 12 *13 O 0.81448454347790 0.52712548657951 0.81282998856503 15.999 > 13 *14 O 0.43413993863313 0.84413125518382 0.46900054544125 15.999 > 14 15 O 0.68551545652210 0.52712548657951 0.31282998856504 15.999 > 15 16 O 0.31448454347790 0.02712548657951 0.18717001143497 15.999 > 16 17 O 0.93413993863313 0.34413125518382 0.53099945455875 15.999 > 17 18 O 0.06586006136687 0.65586874481618 0.46900054544125 15.999 > 18 19 O 0.18551545652210 0.02712548657951 0.68717001143497 15.999 > 19 20 O 0.18551545652210 0.47287451342049 0.18717001143497 15.999 > 20 21 O 0.56586006136687 0.34413125518382 0.03099945455875 15.999 > 21 22 O 0.31448454347790 0.47287451342049 0.68717001143497 15.999 > 22 23 O 0.81448454347790 0.97287451342049 0.31282998856504 15.999 > 23 24 O 0.93413993863313 0.15586874481618 0.03099945455875 15.999 > 24 25 O 0.43413993863313 0.65586874481618 0.96900054544125 15.999 > 25 26 O 0.68551545652210 0.97287451342049 0.81282998856503 15.999 > 26 27 O 0.56586006136687 0.15586874481618 0.53099945455875 15.999 > 27 28 O 0.06586006136687 0.84413125518382 0.96900054544125 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.744168520000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.079910630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.719465000000000 Atomic positions (fractional): *1 Na 0.23556238498823 0.65776157633994 0.26916547197062 22.990 > 1 2 Na 0.73556238498823 0.65776157633994 0.26916547197062 22.990 > 1 3 Na 0.23556238498823 0.65776157633994 0.76916547197062 22.990 > 1 4 Na 0.73556238498823 0.65776157633994 0.76916547197062 22.990 > 1 5 Na 0.01443761501177 0.84223842366006 0.26916547197062 22.990 > 2 6 Na 0.51443761501177 0.84223842366006 0.26916547197062 22.990 > 2 7 Na 0.01443761501177 0.84223842366006 0.76916547197062 22.990 > 2 8 Na 0.51443761501177 0.84223842366006 0.76916547197062 22.990 > 2 9 Na 0.23556238498823 0.84223842366006 0.01916547197062 22.990 > 3 10 Na 0.73556238498823 0.84223842366006 0.01916547197062 22.990 > 3 11 Na 0.23556238498823 0.84223842366006 0.51916547197062 22.990 > 3 12 Na 0.73556238498823 0.84223842366006 0.51916547197062 22.990 > 3 13 Na 0.48556238498823 0.15776157633994 0.23083452802938 22.990 > 4 14 Na 0.98556238498823 0.15776157633994 0.23083452802938 22.990 > 4 15 Na 0.48556238498823 0.15776157633994 0.73083452802938 22.990 > 4 16 Na 0.98556238498823 0.15776157633994 0.73083452802938 22.990 > 4 17 Na 0.01443761501177 0.65776157633994 0.01916547197062 22.990 > 5 18 Na 0.51443761501177 0.65776157633994 0.01916547197062 22.990 > 5 19 Na 0.01443761501177 0.65776157633994 0.51916547197062 22.990 > 5 20 Na 0.51443761501177 0.65776157633994 0.51916547197062 22.990 > 5 21 Na 0.26443761501177 0.34223842366006 0.23083452802938 22.990 > 6 22 Na 0.76443761501177 0.34223842366006 0.23083452802938 22.990 > 6 23 Na 0.26443761501177 0.34223842366006 0.73083452802938 22.990 > 6 24 Na 0.76443761501177 0.34223842366006 0.73083452802938 22.990 > 6 25 Na 0.48556238498823 0.34223842366006 0.48083452802938 22.990 > 7 26 Na 0.98556238498823 0.34223842366006 0.48083452802938 22.990 > 7 27 Na 0.48556238498823 0.34223842366006 0.98083452802938 22.990 > 7 28 Na 0.98556238498823 0.34223842366006 0.98083452802938 22.990 > 7 29 Na 0.26443761501177 0.15776157633994 0.48083452802938 22.990 > 8 30 Na 0.76443761501177 0.15776157633994 0.48083452802938 22.990 > 8 31 Na 0.26443761501177 0.15776157633994 0.98083452802938 22.990 > 8 32 Na 0.76443761501177 0.15776157633994 0.98083452802938 22.990 > 8 *33 U 0.25000000000000 0.00000000000000 0.25000000000000 238.029 > 9 34 U 0.75000000000000 0.00000000000000 0.25000000000000 238.029 > 9 35 U 0.25000000000000 0.00000000000000 0.75000000000000 238.029 > 9 36 U 0.75000000000000 0.00000000000000 0.75000000000000 238.029 > 9 37 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 10 38 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 10 39 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 10 40 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 10 41 U 0.25000000000000 0.50000000000000 0.00000000000000 238.029 > 11 42 U 0.75000000000000 0.50000000000000 0.00000000000000 238.029 > 11 43 U 0.25000000000000 0.50000000000000 0.50000000000000 238.029 > 11 44 U 0.75000000000000 0.50000000000000 0.50000000000000 238.029 > 11 45 U 0.00000000000000 0.50000000000000 0.25000000000000 238.029 > 12 46 U 0.50000000000000 0.50000000000000 0.25000000000000 238.029 > 12 47 U 0.00000000000000 0.50000000000000 0.75000000000000 238.029 > 12 48 U 0.50000000000000 0.50000000000000 0.75000000000000 238.029 > 12 *49 O 0.40724227173895 0.52712548657951 0.40641499428252 15.999 > 13 50 O 0.90724227173895 0.52712548657951 0.40641499428252 15.999 > 13 51 O 0.40724227173895 0.52712548657951 0.90641499428252 15.999 > 13 52 O 0.90724227173895 0.52712548657951 0.90641499428252 15.999 > 13 *53 O 0.21706996931656 0.84413125518382 0.23450027272063 15.999 > 14 54 O 0.71706996931656 0.84413125518382 0.23450027272063 15.999 > 14 55 O 0.21706996931656 0.84413125518382 0.73450027272063 15.999 > 14 56 O 0.71706996931656 0.84413125518382 0.73450027272063 15.999 > 14 57 O 0.34275772826105 0.52712548657951 0.15641499428252 15.999 > 15 58 O 0.84275772826105 0.52712548657951 0.15641499428252 15.999 > 15 59 O 0.34275772826105 0.52712548657951 0.65641499428252 15.999 > 15 60 O 0.84275772826105 0.52712548657951 0.65641499428252 15.999 > 15 61 O 0.15724227173895 0.02712548657951 0.09358500571748 15.999 > 16 62 O 0.65724227173895 0.02712548657951 0.09358500571748 15.999 > 16 63 O 0.15724227173895 0.02712548657951 0.59358500571748 15.999 > 16 64 O 0.65724227173895 0.02712548657951 0.59358500571748 15.999 > 16 65 O 0.46706996931657 0.34413125518382 0.26549972727937 15.999 > 17 66 O 0.96706996931656 0.34413125518382 0.26549972727937 15.999 > 17 67 O 0.46706996931657 0.34413125518382 0.76549972727937 15.999 > 17 68 O 0.96706996931656 0.34413125518382 0.76549972727937 15.999 > 17 69 O 0.03293003068344 0.65586874481618 0.23450027272063 15.999 > 18 70 O 0.53293003068344 0.65586874481618 0.23450027272063 15.999 > 18 71 O 0.03293003068344 0.65586874481618 0.73450027272063 15.999 > 18 72 O 0.53293003068344 0.65586874481618 0.73450027272063 15.999 > 18 73 O 0.09275772826105 0.02712548657951 0.34358500571748 15.999 > 19 74 O 0.59275772826105 0.02712548657951 0.34358500571748 15.999 > 19 75 O 0.09275772826105 0.02712548657951 0.84358500571748 15.999 > 19 76 O 0.59275772826105 0.02712548657951 0.84358500571748 15.999 > 19 77 O 0.09275772826105 0.47287451342049 0.09358500571748 15.999 > 20 78 O 0.59275772826105 0.47287451342049 0.09358500571748 15.999 > 20 79 O 0.09275772826105 0.47287451342049 0.59358500571748 15.999 > 20 80 O 0.59275772826105 0.47287451342049 0.59358500571748 15.999 > 20 81 O 0.28293003068343 0.34413125518382 0.01549972727937 15.999 > 21 82 O 0.78293003068344 0.34413125518382 0.01549972727937 15.999 > 21 83 O 0.28293003068343 0.34413125518382 0.51549972727937 15.999 > 21 84 O 0.78293003068344 0.34413125518382 0.51549972727937 15.999 > 21 85 O 0.15724227173895 0.47287451342049 0.34358500571748 15.999 > 22 86 O 0.65724227173895 0.47287451342049 0.34358500571748 15.999 > 22 87 O 0.15724227173895 0.47287451342049 0.84358500571748 15.999 > 22 88 O 0.65724227173895 0.47287451342049 0.84358500571748 15.999 > 22 89 O 0.40724227173895 0.97287451342049 0.15641499428252 15.999 > 23 90 O 0.90724227173895 0.97287451342049 0.15641499428252 15.999 > 23 91 O 0.40724227173895 0.97287451342049 0.65641499428252 15.999 > 23 92 O 0.90724227173895 0.97287451342049 0.65641499428252 15.999 > 23 93 O 0.46706996931657 0.15586874481618 0.01549972727937 15.999 > 24 94 O 0.96706996931656 0.15586874481618 0.01549972727937 15.999 > 24 95 O 0.46706996931657 0.15586874481618 0.51549972727937 15.999 > 24 96 O 0.96706996931656 0.15586874481618 0.51549972727937 15.999 > 24 97 O 0.21706996931656 0.65586874481618 0.48450027272063 15.999 > 25 98 O 0.71706996931656 0.65586874481618 0.48450027272063 15.999 > 25 99 O 0.21706996931656 0.65586874481618 0.98450027272063 15.999 > 25 100 O 0.71706996931656 0.65586874481618 0.98450027272063 15.999 > 25 101 O 0.34275772826105 0.97287451342049 0.40641499428252 15.999 > 26 102 O 0.84275772826105 0.97287451342049 0.40641499428252 15.999 > 26 103 O 0.34275772826105 0.97287451342049 0.90641499428252 15.999 > 26 104 O 0.84275772826105 0.97287451342049 0.90641499428252 15.999 > 26 105 O 0.28293003068343 0.15586874481618 0.26549972727937 15.999 > 27 106 O 0.78293003068344 0.15586874481618 0.26549972727937 15.999 > 27 107 O 0.28293003068343 0.15586874481618 0.76549972727937 15.999 > 27 108 O 0.78293003068344 0.15586874481618 0.76549972727937 15.999 > 27 109 O 0.03293003068344 0.84413125518382 0.48450027272063 15.999 > 28 110 O 0.53293003068344 0.84413125518382 0.48450027272063 15.999 > 28 111 O 0.03293003068344 0.84413125518382 0.98450027272063 15.999 > 28 112 O 0.53293003068344 0.84413125518382 0.98450027272063 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3280869 0.0000000 0.0000000 0.0000000 3.1546021 0.0000000 0.0000000 0.0000000 4.3062452 -------------------------- Born effective charges -------------------------- 1 Na 1.0584628 0.0134969 -0.0238690 0.0299351 1.2410634 -0.0707321 -0.0654600 0.0003354 1.0656032 2 Na 1.0584628 0.0134969 0.0238690 0.0299351 1.2410634 0.0707321 0.0654600 -0.0003354 1.0656032 3 Na 1.0584628 -0.0134969 -0.0238690 -0.0299351 1.2410634 0.0707321 -0.0654600 -0.0003354 1.0656032 4 Na 1.0584628 0.0134969 0.0238690 0.0299351 1.2410634 0.0707321 0.0654600 -0.0003354 1.0656032 5 Na 1.0584628 -0.0134969 0.0238690 -0.0299351 1.2410634 -0.0707321 0.0654600 0.0003354 1.0656032 6 Na 1.0584628 0.0134969 -0.0238690 0.0299351 1.2410634 -0.0707321 -0.0654600 0.0003354 1.0656032 7 Na 1.0584628 -0.0134969 0.0238690 -0.0299351 1.2410634 -0.0707321 0.0654600 0.0003354 1.0656032 8 Na 1.0584628 -0.0134969 -0.0238690 -0.0299351 1.2410634 0.0707321 -0.0654600 -0.0003354 1.0656032 9 U 6.6144675 -0.3502584 0.9654682 0.4086807 4.4710416 0.2544549 -0.8474066 0.1648576 6.4842443 10 U 6.6144675 0.3502584 -0.9654682 -0.4086807 4.4710416 0.2544549 0.8474066 0.1648576 6.4842443 11 U 6.6144675 0.3502584 0.9654682 -0.4086807 4.4710416 -0.2544549 -0.8474066 -0.1648576 6.4842443 12 U 6.6144675 -0.3502584 -0.9654682 0.4086807 4.4710416 -0.2544549 0.8474066 -0.1648576 6.4842443 13 O -3.3147986 -0.0367041 2.1967160 -0.0533146 -0.5944407 -0.0525174 2.1963356 -0.0740237 -3.3411261 14 O -1.0508980 -0.4151252 -0.0830512 -0.4178739 -2.8821435 -0.1778828 0.0431025 -0.1377153 -0.9665993 15 O -3.3147986 0.0367041 -2.1967160 0.0533146 -0.5944407 -0.0525174 -2.1963356 -0.0740237 -3.3411261 16 O -3.3147986 -0.0367041 -2.1967160 -0.0533146 -0.5944407 0.0525174 -2.1963356 0.0740237 -3.3411261 17 O -1.0508980 -0.4151252 0.0830512 -0.4178739 -2.8821435 0.1778828 -0.0431025 0.1377153 -0.9665993 18 O -1.0508980 -0.4151252 0.0830512 -0.4178739 -2.8821435 0.1778828 -0.0431025 0.1377153 -0.9665993 19 O -3.3147986 0.0367041 2.1967160 0.0533146 -0.5944407 0.0525174 2.1963356 0.0740237 -3.3411261 20 O -3.3147986 -0.0367041 2.1967160 -0.0533146 -0.5944407 -0.0525174 2.1963356 -0.0740237 -3.3411261 21 O -1.0508980 0.4151252 -0.0830512 0.4178739 -2.8821435 0.1778828 0.0431025 0.1377153 -0.9665993 22 O -3.3147986 0.0367041 -2.1967160 0.0533146 -0.5944407 -0.0525174 -2.1963356 -0.0740237 -3.3411261 23 O -3.3147986 0.0367041 2.1967160 0.0533146 -0.5944407 0.0525174 2.1963356 0.0740237 -3.3411261 24 O -1.0508980 0.4151252 0.0830512 0.4178739 -2.8821435 -0.1778828 -0.0431025 -0.1377153 -0.9665993 25 O -1.0508980 0.4151252 -0.0830512 0.4178739 -2.8821435 0.1778828 0.0431025 0.1377153 -0.9665993 26 O -3.3147986 -0.0367041 -2.1967160 -0.0533146 -0.5944407 0.0525174 -2.1963356 0.0740237 -3.3411261 27 O -1.0508980 -0.4151252 -0.0830512 -0.4178739 -2.8821435 -0.1778828 0.0431025 -0.1377153 -0.9665993 28 O -1.0508980 0.4151252 0.0830512 0.4178739 -2.8821435 -0.1778828 -0.0431025 -0.1377153 -0.9665993 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1857 Number of blocks in projector: 1857 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: 394 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 225 Use standard eigh solver. Tree of FC basis block matrices: - (1857, 1821), data: False |-- (225, 221), data: True |-- (225, 221), data: True |-- (225, 221), data: True |-- (394, 386), data: True |-- (394, 386), data: True |-- (394, 386), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.076 Solver_block: 200 / 480 - Time: 3.032 Solver_block: 300 / 480 - Time: 3.014 Solver_block: 400 / 480 - Time: 3.030 Solver_block: 480 / 480 - Time: 2.453 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.654 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1857 Number of blocks in projector: 1857 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: 394 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 394 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 225 Use standard eigh solver. Tree of FC basis block matrices: - (1857, 1821), data: False |-- (225, 221), data: True |-- (225, 221), data: True |-- (225, 221), data: True |-- (394, 386), data: True |-- (394, 386), data: True |-- (394, 386), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:29:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:29:24]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pccn (56) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.872084260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.079910630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.859732500000000 Atomic positions (fractional): 1 Na 0.47112476997647 0.65776157633994 0.53833094394125 22.990 2 Na 0.02887523002353 0.84223842366006 0.53833094394125 22.990 3 Na 0.47112476997647 0.84223842366006 0.03833094394125 22.990 4 Na 0.97112476997647 0.15776157633994 0.46166905605875 22.990 5 Na 0.02887523002353 0.65776157633994 0.03833094394125 22.990 6 Na 0.52887523002353 0.34223842366006 0.46166905605875 22.990 7 Na 0.97112476997647 0.34223842366006 0.96166905605875 22.990 8 Na 0.52887523002353 0.15776157633994 0.96166905605875 22.990 9 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 10 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 11 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 12 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 13 O 0.81448454347790 0.52712548657951 0.81282998856503 15.999 14 O 0.43413993863313 0.84413125518382 0.46900054544125 15.999 15 O 0.68551545652210 0.52712548657951 0.31282998856504 15.999 16 O 0.31448454347790 0.02712548657951 0.18717001143497 15.999 17 O 0.93413993863313 0.34413125518382 0.53099945455875 15.999 18 O 0.06586006136687 0.65586874481618 0.46900054544125 15.999 19 O 0.18551545652210 0.02712548657951 0.68717001143497 15.999 20 O 0.18551545652210 0.47287451342049 0.18717001143497 15.999 21 O 0.56586006136687 0.34413125518382 0.03099945455875 15.999 22 O 0.31448454347790 0.47287451342049 0.68717001143497 15.999 23 O 0.81448454347790 0.97287451342049 0.31282998856504 15.999 24 O 0.93413993863313 0.15586874481618 0.03099945455875 15.999 25 O 0.43413993863313 0.65586874481618 0.96900054544125 15.999 26 O 0.68551545652210 0.97287451342049 0.81282998856503 15.999 27 O 0.56586006136687 0.15586874481618 0.53099945455875 15.999 28 O 0.06586006136687 0.84413125518382 0.96900054544125 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.744168520000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.079910630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.719465000000000 Atomic positions (fractional): 1 Na 0.23556238498823 0.65776157633994 0.26916547197062 22.990 > 1 2 Na 0.73556238498823 0.65776157633994 0.26916547197062 22.990 > 1 3 Na 0.23556238498823 0.65776157633994 0.76916547197062 22.990 > 1 4 Na 0.73556238498823 0.65776157633994 0.76916547197062 22.990 > 1 5 Na 0.01443761501177 0.84223842366006 0.26916547197062 22.990 > 5 6 Na 0.51443761501177 0.84223842366006 0.26916547197062 22.990 > 5 7 Na 0.01443761501177 0.84223842366006 0.76916547197062 22.990 > 5 8 Na 0.51443761501177 0.84223842366006 0.76916547197062 22.990 > 5 9 Na 0.23556238498823 0.84223842366006 0.01916547197062 22.990 > 9 10 Na 0.73556238498823 0.84223842366006 0.01916547197062 22.990 > 9 11 Na 0.23556238498823 0.84223842366006 0.51916547197062 22.990 > 9 12 Na 0.73556238498823 0.84223842366006 0.51916547197062 22.990 > 9 13 Na 0.48556238498823 0.15776157633994 0.23083452802938 22.990 > 13 14 Na 0.98556238498823 0.15776157633994 0.23083452802938 22.990 > 13 15 Na 0.48556238498823 0.15776157633994 0.73083452802938 22.990 > 13 16 Na 0.98556238498823 0.15776157633994 0.73083452802938 22.990 > 13 17 Na 0.01443761501177 0.65776157633994 0.01916547197062 22.990 > 17 18 Na 0.51443761501177 0.65776157633994 0.01916547197062 22.990 > 17 19 Na 0.01443761501177 0.65776157633994 0.51916547197062 22.990 > 17 20 Na 0.51443761501177 0.65776157633994 0.51916547197062 22.990 > 17 21 Na 0.26443761501177 0.34223842366006 0.23083452802938 22.990 > 21 22 Na 0.76443761501177 0.34223842366006 0.23083452802938 22.990 > 21 23 Na 0.26443761501177 0.34223842366006 0.73083452802938 22.990 > 21 24 Na 0.76443761501177 0.34223842366006 0.73083452802938 22.990 > 21 25 Na 0.48556238498823 0.34223842366006 0.48083452802938 22.990 > 25 26 Na 0.98556238498823 0.34223842366006 0.48083452802938 22.990 > 25 27 Na 0.48556238498823 0.34223842366006 0.98083452802938 22.990 > 25 28 Na 0.98556238498823 0.34223842366006 0.98083452802938 22.990 > 25 29 Na 0.26443761501177 0.15776157633994 0.48083452802938 22.990 > 29 30 Na 0.76443761501177 0.15776157633994 0.48083452802938 22.990 > 29 31 Na 0.26443761501177 0.15776157633994 0.98083452802938 22.990 > 29 32 Na 0.76443761501177 0.15776157633994 0.98083452802938 22.990 > 29 33 U 0.25000000000000 0.00000000000000 0.25000000000000 238.029 > 33 34 U 0.75000000000000 0.00000000000000 0.25000000000000 238.029 > 33 35 U 0.25000000000000 0.00000000000000 0.75000000000000 238.029 > 33 36 U 0.75000000000000 0.00000000000000 0.75000000000000 238.029 > 33 37 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 37 38 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 37 39 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 37 40 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 37 41 U 0.25000000000000 0.50000000000000 0.00000000000000 238.029 > 41 42 U 0.75000000000000 0.50000000000000 0.00000000000000 238.029 > 41 43 U 0.25000000000000 0.50000000000000 0.50000000000000 238.029 > 41 44 U 0.75000000000000 0.50000000000000 0.50000000000000 238.029 > 41 45 U 0.00000000000000 0.50000000000000 0.25000000000000 238.029 > 45 46 U 0.50000000000000 0.50000000000000 0.25000000000000 238.029 > 45 47 U 0.00000000000000 0.50000000000000 0.75000000000000 238.029 > 45 48 U 0.50000000000000 0.50000000000000 0.75000000000000 238.029 > 45 49 O 0.40724227173895 0.52712548657951 0.40641499428252 15.999 > 49 50 O 0.90724227173895 0.52712548657951 0.40641499428252 15.999 > 49 51 O 0.40724227173895 0.52712548657951 0.90641499428252 15.999 > 49 52 O 0.90724227173895 0.52712548657951 0.90641499428252 15.999 > 49 53 O 0.21706996931656 0.84413125518382 0.23450027272063 15.999 > 53 54 O 0.71706996931656 0.84413125518382 0.23450027272063 15.999 > 53 55 O 0.21706996931656 0.84413125518382 0.73450027272063 15.999 > 53 56 O 0.71706996931656 0.84413125518382 0.73450027272063 15.999 > 53 57 O 0.34275772826105 0.52712548657951 0.15641499428252 15.999 > 57 58 O 0.84275772826105 0.52712548657951 0.15641499428252 15.999 > 57 59 O 0.34275772826105 0.52712548657951 0.65641499428252 15.999 > 57 60 O 0.84275772826105 0.52712548657951 0.65641499428252 15.999 > 57 61 O 0.15724227173895 0.02712548657951 0.09358500571748 15.999 > 61 62 O 0.65724227173895 0.02712548657951 0.09358500571748 15.999 > 61 63 O 0.15724227173895 0.02712548657951 0.59358500571748 15.999 > 61 64 O 0.65724227173895 0.02712548657951 0.59358500571748 15.999 > 61 65 O 0.46706996931657 0.34413125518382 0.26549972727937 15.999 > 65 66 O 0.96706996931656 0.34413125518382 0.26549972727937 15.999 > 65 67 O 0.46706996931657 0.34413125518382 0.76549972727937 15.999 > 65 68 O 0.96706996931656 0.34413125518382 0.76549972727937 15.999 > 65 69 O 0.03293003068344 0.65586874481618 0.23450027272063 15.999 > 69 70 O 0.53293003068344 0.65586874481618 0.23450027272063 15.999 > 69 71 O 0.03293003068344 0.65586874481618 0.73450027272063 15.999 > 69 72 O 0.53293003068344 0.65586874481618 0.73450027272063 15.999 > 69 73 O 0.09275772826105 0.02712548657951 0.34358500571748 15.999 > 73 74 O 0.59275772826105 0.02712548657951 0.34358500571748 15.999 > 73 75 O 0.09275772826105 0.02712548657951 0.84358500571748 15.999 > 73 76 O 0.59275772826105 0.02712548657951 0.84358500571748 15.999 > 73 77 O 0.09275772826105 0.47287451342049 0.09358500571748 15.999 > 77 78 O 0.59275772826105 0.47287451342049 0.09358500571748 15.999 > 77 79 O 0.09275772826105 0.47287451342049 0.59358500571748 15.999 > 77 80 O 0.59275772826105 0.47287451342049 0.59358500571748 15.999 > 77 81 O 0.28293003068343 0.34413125518382 0.01549972727937 15.999 > 81 82 O 0.78293003068344 0.34413125518382 0.01549972727937 15.999 > 81 83 O 0.28293003068343 0.34413125518382 0.51549972727937 15.999 > 81 84 O 0.78293003068344 0.34413125518382 0.51549972727937 15.999 > 81 85 O 0.15724227173895 0.47287451342049 0.34358500571748 15.999 > 85 86 O 0.65724227173895 0.47287451342049 0.34358500571748 15.999 > 85 87 O 0.15724227173895 0.47287451342049 0.84358500571748 15.999 > 85 88 O 0.65724227173895 0.47287451342049 0.84358500571748 15.999 > 85 89 O 0.40724227173895 0.97287451342049 0.15641499428252 15.999 > 89 90 O 0.90724227173895 0.97287451342049 0.15641499428252 15.999 > 89 91 O 0.40724227173895 0.97287451342049 0.65641499428252 15.999 > 89 92 O 0.90724227173895 0.97287451342049 0.65641499428252 15.999 > 89 93 O 0.46706996931657 0.15586874481618 0.01549972727937 15.999 > 93 94 O 0.96706996931656 0.15586874481618 0.01549972727937 15.999 > 93 95 O 0.46706996931657 0.15586874481618 0.51549972727937 15.999 > 93 96 O 0.96706996931656 0.15586874481618 0.51549972727937 15.999 > 93 97 O 0.21706996931656 0.65586874481618 0.48450027272063 15.999 > 97 98 O 0.71706996931656 0.65586874481618 0.48450027272063 15.999 > 97 99 O 0.21706996931656 0.65586874481618 0.98450027272063 15.999 > 97 100 O 0.71706996931656 0.65586874481618 0.98450027272063 15.999 > 97 101 O 0.34275772826105 0.97287451342049 0.40641499428252 15.999 > 101 102 O 0.84275772826105 0.97287451342049 0.40641499428252 15.999 > 101 103 O 0.34275772826105 0.97287451342049 0.90641499428252 15.999 > 101 104 O 0.84275772826105 0.97287451342049 0.90641499428252 15.999 > 101 105 O 0.28293003068343 0.15586874481618 0.26549972727937 15.999 > 105 106 O 0.78293003068344 0.15586874481618 0.26549972727937 15.999 > 105 107 O 0.28293003068343 0.15586874481618 0.76549972727937 15.999 > 105 108 O 0.78293003068344 0.15586874481618 0.76549972727937 15.999 > 105 109 O 0.03293003068344 0.84413125518382 0.48450027272063 15.999 > 109 110 O 0.53293003068344 0.84413125518382 0.48450027272063 15.999 > 109 111 O 0.03293003068344 0.84413125518382 0.98450027272063 15.999 > 109 112 O 0.53293003068344 0.84413125518382 0.98450027272063 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3280869 0.0000000 0.0000000 0.0000000 3.1546021 0.0000000 0.0000000 0.0000000 4.3062452 -------------------------- Born effective charges -------------------------- 1 Na 1.0584628 0.0134969 -0.0238690 0.0299351 1.2410634 -0.0707321 -0.0654600 0.0003354 1.0656032 2 Na 1.0584628 0.0134969 0.0238690 0.0299351 1.2410634 0.0707321 0.0654600 -0.0003354 1.0656032 3 Na 1.0584628 -0.0134969 -0.0238690 -0.0299351 1.2410634 0.0707321 -0.0654600 -0.0003354 1.0656032 4 Na 1.0584628 0.0134969 0.0238690 0.0299351 1.2410634 0.0707321 0.0654600 -0.0003354 1.0656032 5 Na 1.0584628 -0.0134969 0.0238690 -0.0299351 1.2410634 -0.0707321 0.0654600 0.0003354 1.0656032 6 Na 1.0584628 0.0134969 -0.0238690 0.0299351 1.2410634 -0.0707321 -0.0654600 0.0003354 1.0656032 7 Na 1.0584628 -0.0134969 0.0238690 -0.0299351 1.2410634 -0.0707321 0.0654600 0.0003354 1.0656032 8 Na 1.0584628 -0.0134969 -0.0238690 -0.0299351 1.2410634 0.0707321 -0.0654600 -0.0003354 1.0656032 9 U 6.6144675 -0.3502584 0.9654682 0.4086807 4.4710416 0.2544549 -0.8474066 0.1648576 6.4842443 10 U 6.6144675 0.3502584 -0.9654682 -0.4086807 4.4710416 0.2544549 0.8474066 0.1648576 6.4842443 11 U 6.6144675 0.3502584 0.9654682 -0.4086807 4.4710416 -0.2544549 -0.8474066 -0.1648576 6.4842443 12 U 6.6144675 -0.3502584 -0.9654682 0.4086807 4.4710416 -0.2544549 0.8474066 -0.1648576 6.4842443 13 O -3.3147986 -0.0367041 2.1967160 -0.0533146 -0.5944407 -0.0525174 2.1963356 -0.0740237 -3.3411261 14 O -1.0508980 -0.4151252 -0.0830512 -0.4178739 -2.8821435 -0.1778828 0.0431025 -0.1377153 -0.9665993 15 O -3.3147986 0.0367041 -2.1967160 0.0533146 -0.5944407 -0.0525174 -2.1963356 -0.0740237 -3.3411261 16 O -3.3147986 -0.0367041 -2.1967160 -0.0533146 -0.5944407 0.0525174 -2.1963356 0.0740237 -3.3411261 17 O -1.0508980 -0.4151252 0.0830512 -0.4178739 -2.8821435 0.1778828 -0.0431025 0.1377153 -0.9665993 18 O -1.0508980 -0.4151252 0.0830512 -0.4178739 -2.8821435 0.1778828 -0.0431025 0.1377153 -0.9665993 19 O -3.3147986 0.0367041 2.1967160 0.0533146 -0.5944407 0.0525174 2.1963356 0.0740237 -3.3411261 20 O -3.3147986 -0.0367041 2.1967160 -0.0533146 -0.5944407 -0.0525174 2.1963356 -0.0740237 -3.3411261 21 O -1.0508980 0.4151252 -0.0830512 0.4178739 -2.8821435 0.1778828 0.0431025 0.1377153 -0.9665993 22 O -3.3147986 0.0367041 -2.1967160 0.0533146 -0.5944407 -0.0525174 -2.1963356 -0.0740237 -3.3411261 23 O -3.3147986 0.0367041 2.1967160 0.0533146 -0.5944407 0.0525174 2.1963356 0.0740237 -3.3411261 24 O -1.0508980 0.4151252 0.0830512 0.4178739 -2.8821435 -0.1778828 -0.0431025 -0.1377153 -0.9665993 25 O -1.0508980 0.4151252 -0.0830512 0.4178739 -2.8821435 0.1778828 0.0431025 0.1377153 -0.9665993 26 O -3.3147986 -0.0367041 -2.1967160 -0.0533146 -0.5944407 0.0525174 -2.1963356 0.0740237 -3.3411261 27 O -1.0508980 -0.4151252 -0.0830512 -0.4178739 -2.8821435 -0.1778828 0.0431025 -0.1377153 -0.9665993 28 O -1.0508980 0.4151252 0.0830512 0.4178739 -2.8821435 -0.1778828 -0.0431025 -0.1377153 -0.9665993 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 53, 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: -0.00000007 (zx) -0.00000007 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:29:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:29:45]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pccn (56) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.872084260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.079910630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.859732500000000 Atomic positions (fractional): 1 Na 0.47112476997647 0.65776157633994 0.53833094394125 22.990 2 Na 0.02887523002353 0.84223842366006 0.53833094394125 22.990 3 Na 0.47112476997647 0.84223842366006 0.03833094394125 22.990 4 Na 0.97112476997647 0.15776157633994 0.46166905605875 22.990 5 Na 0.02887523002353 0.65776157633994 0.03833094394125 22.990 6 Na 0.52887523002353 0.34223842366006 0.46166905605875 22.990 7 Na 0.97112476997647 0.34223842366006 0.96166905605875 22.990 8 Na 0.52887523002353 0.15776157633994 0.96166905605875 22.990 9 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 10 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 11 U 0.50000000000000 0.50000000000000 0.00000000000000 238.029 12 U 0.00000000000000 0.50000000000000 0.50000000000000 238.029 13 O 0.81448454347790 0.52712548657951 0.81282998856503 15.999 14 O 0.43413993863313 0.84413125518382 0.46900054544125 15.999 15 O 0.68551545652210 0.52712548657951 0.31282998856504 15.999 16 O 0.31448454347790 0.02712548657951 0.18717001143497 15.999 17 O 0.93413993863313 0.34413125518382 0.53099945455875 15.999 18 O 0.06586006136687 0.65586874481618 0.46900054544125 15.999 19 O 0.18551545652210 0.02712548657951 0.68717001143497 15.999 20 O 0.18551545652210 0.47287451342049 0.18717001143497 15.999 21 O 0.56586006136687 0.34413125518382 0.03099945455875 15.999 22 O 0.31448454347790 0.47287451342049 0.68717001143497 15.999 23 O 0.81448454347790 0.97287451342049 0.31282998856504 15.999 24 O 0.93413993863313 0.15586874481618 0.03099945455875 15.999 25 O 0.43413993863313 0.65586874481618 0.96900054544125 15.999 26 O 0.68551545652210 0.97287451342049 0.81282998856503 15.999 27 O 0.56586006136687 0.15586874481618 0.53099945455875 15.999 28 O 0.06586006136687 0.84413125518382 0.96900054544125 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.744168520000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.079910630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.719465000000000 Atomic positions (fractional): 1 Na 0.23556238498823 0.65776157633994 0.26916547197062 22.990 > 1 2 Na 0.73556238498823 0.65776157633994 0.26916547197062 22.990 > 1 3 Na 0.23556238498823 0.65776157633994 0.76916547197062 22.990 > 1 4 Na 0.73556238498823 0.65776157633994 0.76916547197062 22.990 > 1 5 Na 0.01443761501177 0.84223842366006 0.26916547197062 22.990 > 5 6 Na 0.51443761501177 0.84223842366006 0.26916547197062 22.990 > 5 7 Na 0.01443761501177 0.84223842366006 0.76916547197062 22.990 > 5 8 Na 0.51443761501177 0.84223842366006 0.76916547197062 22.990 > 5 9 Na 0.23556238498823 0.84223842366006 0.01916547197062 22.990 > 9 10 Na 0.73556238498823 0.84223842366006 0.01916547197062 22.990 > 9 11 Na 0.23556238498823 0.84223842366006 0.51916547197062 22.990 > 9 12 Na 0.73556238498823 0.84223842366006 0.51916547197062 22.990 > 9 13 Na 0.48556238498823 0.15776157633994 0.23083452802938 22.990 > 13 14 Na 0.98556238498823 0.15776157633994 0.23083452802938 22.990 > 13 15 Na 0.48556238498823 0.15776157633994 0.73083452802938 22.990 > 13 16 Na 0.98556238498823 0.15776157633994 0.73083452802938 22.990 > 13 17 Na 0.01443761501177 0.65776157633994 0.01916547197062 22.990 > 17 18 Na 0.51443761501177 0.65776157633994 0.01916547197062 22.990 > 17 19 Na 0.01443761501177 0.65776157633994 0.51916547197062 22.990 > 17 20 Na 0.51443761501177 0.65776157633994 0.51916547197062 22.990 > 17 21 Na 0.26443761501177 0.34223842366006 0.23083452802938 22.990 > 21 22 Na 0.76443761501177 0.34223842366006 0.23083452802938 22.990 > 21 23 Na 0.26443761501177 0.34223842366006 0.73083452802938 22.990 > 21 24 Na 0.76443761501177 0.34223842366006 0.73083452802938 22.990 > 21 25 Na 0.48556238498823 0.34223842366006 0.48083452802938 22.990 > 25 26 Na 0.98556238498823 0.34223842366006 0.48083452802938 22.990 > 25 27 Na 0.48556238498823 0.34223842366006 0.98083452802938 22.990 > 25 28 Na 0.98556238498823 0.34223842366006 0.98083452802938 22.990 > 25 29 Na 0.26443761501177 0.15776157633994 0.48083452802938 22.990 > 29 30 Na 0.76443761501177 0.15776157633994 0.48083452802938 22.990 > 29 31 Na 0.26443761501177 0.15776157633994 0.98083452802938 22.990 > 29 32 Na 0.76443761501177 0.15776157633994 0.98083452802938 22.990 > 29 33 U 0.25000000000000 0.00000000000000 0.25000000000000 238.029 > 33 34 U 0.75000000000000 0.00000000000000 0.25000000000000 238.029 > 33 35 U 0.25000000000000 0.00000000000000 0.75000000000000 238.029 > 33 36 U 0.75000000000000 0.00000000000000 0.75000000000000 238.029 > 33 37 U 0.00000000000000 0.00000000000000 0.00000000000000 238.029 > 37 38 U 0.50000000000000 0.00000000000000 0.00000000000000 238.029 > 37 39 U 0.00000000000000 0.00000000000000 0.50000000000000 238.029 > 37 40 U 0.50000000000000 0.00000000000000 0.50000000000000 238.029 > 37 41 U 0.25000000000000 0.50000000000000 0.00000000000000 238.029 > 41 42 U 0.75000000000000 0.50000000000000 0.00000000000000 238.029 > 41 43 U 0.25000000000000 0.50000000000000 0.50000000000000 238.029 > 41 44 U 0.75000000000000 0.50000000000000 0.50000000000000 238.029 > 41 45 U 0.00000000000000 0.50000000000000 0.25000000000000 238.029 > 45 46 U 0.50000000000000 0.50000000000000 0.25000000000000 238.029 > 45 47 U 0.00000000000000 0.50000000000000 0.75000000000000 238.029 > 45 48 U 0.50000000000000 0.50000000000000 0.75000000000000 238.029 > 45 49 O 0.40724227173895 0.52712548657951 0.40641499428252 15.999 > 49 50 O 0.90724227173895 0.52712548657951 0.40641499428252 15.999 > 49 51 O 0.40724227173895 0.52712548657951 0.90641499428252 15.999 > 49 52 O 0.90724227173895 0.52712548657951 0.90641499428252 15.999 > 49 53 O 0.21706996931656 0.84413125518382 0.23450027272063 15.999 > 53 54 O 0.71706996931656 0.84413125518382 0.23450027272063 15.999 > 53 55 O 0.21706996931656 0.84413125518382 0.73450027272063 15.999 > 53 56 O 0.71706996931656 0.84413125518382 0.73450027272063 15.999 > 53 57 O 0.34275772826105 0.52712548657951 0.15641499428252 15.999 > 57 58 O 0.84275772826105 0.52712548657951 0.15641499428252 15.999 > 57 59 O 0.34275772826105 0.52712548657951 0.65641499428252 15.999 > 57 60 O 0.84275772826105 0.52712548657951 0.65641499428252 15.999 > 57 61 O 0.15724227173895 0.02712548657951 0.09358500571748 15.999 > 61 62 O 0.65724227173895 0.02712548657951 0.09358500571748 15.999 > 61 63 O 0.15724227173895 0.02712548657951 0.59358500571748 15.999 > 61 64 O 0.65724227173895 0.02712548657951 0.59358500571748 15.999 > 61 65 O 0.46706996931657 0.34413125518382 0.26549972727937 15.999 > 65 66 O 0.96706996931656 0.34413125518382 0.26549972727937 15.999 > 65 67 O 0.46706996931657 0.34413125518382 0.76549972727937 15.999 > 65 68 O 0.96706996931656 0.34413125518382 0.76549972727937 15.999 > 65 69 O 0.03293003068344 0.65586874481618 0.23450027272063 15.999 > 69 70 O 0.53293003068344 0.65586874481618 0.23450027272063 15.999 > 69 71 O 0.03293003068344 0.65586874481618 0.73450027272063 15.999 > 69 72 O 0.53293003068344 0.65586874481618 0.73450027272063 15.999 > 69 73 O 0.09275772826105 0.02712548657951 0.34358500571748 15.999 > 73 74 O 0.59275772826105 0.02712548657951 0.34358500571748 15.999 > 73 75 O 0.09275772826105 0.02712548657951 0.84358500571748 15.999 > 73 76 O 0.59275772826105 0.02712548657951 0.84358500571748 15.999 > 73 77 O 0.09275772826105 0.47287451342049 0.09358500571748 15.999 > 77 78 O 0.59275772826105 0.47287451342049 0.09358500571748 15.999 > 77 79 O 0.09275772826105 0.47287451342049 0.59358500571748 15.999 > 77 80 O 0.59275772826105 0.47287451342049 0.59358500571748 15.999 > 77 81 O 0.28293003068343 0.34413125518382 0.01549972727937 15.999 > 81 82 O 0.78293003068344 0.34413125518382 0.01549972727937 15.999 > 81 83 O 0.28293003068343 0.34413125518382 0.51549972727937 15.999 > 81 84 O 0.78293003068344 0.34413125518382 0.51549972727937 15.999 > 81 85 O 0.15724227173895 0.47287451342049 0.34358500571748 15.999 > 85 86 O 0.65724227173895 0.47287451342049 0.34358500571748 15.999 > 85 87 O 0.15724227173895 0.47287451342049 0.84358500571748 15.999 > 85 88 O 0.65724227173895 0.47287451342049 0.84358500571748 15.999 > 85 89 O 0.40724227173895 0.97287451342049 0.15641499428252 15.999 > 89 90 O 0.90724227173895 0.97287451342049 0.15641499428252 15.999 > 89 91 O 0.40724227173895 0.97287451342049 0.65641499428252 15.999 > 89 92 O 0.90724227173895 0.97287451342049 0.65641499428252 15.999 > 89 93 O 0.46706996931657 0.15586874481618 0.01549972727937 15.999 > 93 94 O 0.96706996931656 0.15586874481618 0.01549972727937 15.999 > 93 95 O 0.46706996931657 0.15586874481618 0.51549972727937 15.999 > 93 96 O 0.96706996931656 0.15586874481618 0.51549972727937 15.999 > 93 97 O 0.21706996931656 0.65586874481618 0.48450027272063 15.999 > 97 98 O 0.71706996931656 0.65586874481618 0.48450027272063 15.999 > 97 99 O 0.21706996931656 0.65586874481618 0.98450027272063 15.999 > 97 100 O 0.71706996931656 0.65586874481618 0.98450027272063 15.999 > 97 101 O 0.34275772826105 0.97287451342049 0.40641499428252 15.999 > 101 102 O 0.84275772826105 0.97287451342049 0.40641499428252 15.999 > 101 103 O 0.34275772826105 0.97287451342049 0.90641499428252 15.999 > 101 104 O 0.84275772826105 0.97287451342049 0.90641499428252 15.999 > 101 105 O 0.28293003068343 0.15586874481618 0.26549972727937 15.999 > 105 106 O 0.78293003068344 0.15586874481618 0.26549972727937 15.999 > 105 107 O 0.28293003068343 0.15586874481618 0.76549972727937 15.999 > 105 108 O 0.78293003068344 0.15586874481618 0.76549972727937 15.999 > 105 109 O 0.03293003068344 0.84413125518382 0.48450027272063 15.999 > 109 110 O 0.53293003068344 0.84413125518382 0.48450027272063 15.999 > 109 111 O 0.03293003068344 0.84413125518382 0.98450027272063 15.999 > 109 112 O 0.53293003068344 0.84413125518382 0.98450027272063 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3280869 0.0000000 0.0000000 0.0000000 3.1546021 0.0000000 0.0000000 0.0000000 4.3062452 -------------------------- Born effective charges -------------------------- 1 Na 1.0584628 0.0134969 -0.0238690 0.0299351 1.2410634 -0.0707321 -0.0654600 0.0003354 1.0656032 2 Na 1.0584628 0.0134969 0.0238690 0.0299351 1.2410634 0.0707321 0.0654600 -0.0003354 1.0656032 3 Na 1.0584628 -0.0134969 -0.0238690 -0.0299351 1.2410634 0.0707321 -0.0654600 -0.0003354 1.0656032 4 Na 1.0584628 0.0134969 0.0238690 0.0299351 1.2410634 0.0707321 0.0654600 -0.0003354 1.0656032 5 Na 1.0584628 -0.0134969 0.0238690 -0.0299351 1.2410634 -0.0707321 0.0654600 0.0003354 1.0656032 6 Na 1.0584628 0.0134969 -0.0238690 0.0299351 1.2410634 -0.0707321 -0.0654600 0.0003354 1.0656032 7 Na 1.0584628 -0.0134969 0.0238690 -0.0299351 1.2410634 -0.0707321 0.0654600 0.0003354 1.0656032 8 Na 1.0584628 -0.0134969 -0.0238690 -0.0299351 1.2410634 0.0707321 -0.0654600 -0.0003354 1.0656032 9 U 6.6144675 -0.3502584 0.9654682 0.4086807 4.4710416 0.2544549 -0.8474066 0.1648576 6.4842443 10 U 6.6144675 0.3502584 -0.9654682 -0.4086807 4.4710416 0.2544549 0.8474066 0.1648576 6.4842443 11 U 6.6144675 0.3502584 0.9654682 -0.4086807 4.4710416 -0.2544549 -0.8474066 -0.1648576 6.4842443 12 U 6.6144675 -0.3502584 -0.9654682 0.4086807 4.4710416 -0.2544549 0.8474066 -0.1648576 6.4842443 13 O -3.3147986 -0.0367041 2.1967160 -0.0533146 -0.5944407 -0.0525174 2.1963356 -0.0740237 -3.3411261 14 O -1.0508980 -0.4151252 -0.0830512 -0.4178739 -2.8821435 -0.1778828 0.0431025 -0.1377153 -0.9665993 15 O -3.3147986 0.0367041 -2.1967160 0.0533146 -0.5944407 -0.0525174 -2.1963356 -0.0740237 -3.3411261 16 O -3.3147986 -0.0367041 -2.1967160 -0.0533146 -0.5944407 0.0525174 -2.1963356 0.0740237 -3.3411261 17 O -1.0508980 -0.4151252 0.0830512 -0.4178739 -2.8821435 0.1778828 -0.0431025 0.1377153 -0.9665993 18 O -1.0508980 -0.4151252 0.0830512 -0.4178739 -2.8821435 0.1778828 -0.0431025 0.1377153 -0.9665993 19 O -3.3147986 0.0367041 2.1967160 0.0533146 -0.5944407 0.0525174 2.1963356 0.0740237 -3.3411261 20 O -3.3147986 -0.0367041 2.1967160 -0.0533146 -0.5944407 -0.0525174 2.1963356 -0.0740237 -3.3411261 21 O -1.0508980 0.4151252 -0.0830512 0.4178739 -2.8821435 0.1778828 0.0431025 0.1377153 -0.9665993 22 O -3.3147986 0.0367041 -2.1967160 0.0533146 -0.5944407 -0.0525174 -2.1963356 -0.0740237 -3.3411261 23 O -3.3147986 0.0367041 2.1967160 0.0533146 -0.5944407 0.0525174 2.1963356 0.0740237 -3.3411261 24 O -1.0508980 0.4151252 0.0830512 0.4178739 -2.8821435 -0.1778828 -0.0431025 -0.1377153 -0.9665993 25 O -1.0508980 0.4151252 -0.0830512 0.4178739 -2.8821435 0.1778828 0.0431025 0.1377153 -0.9665993 26 O -3.3147986 -0.0367041 -2.1967160 -0.0533146 -0.5944407 0.0525174 -2.1963356 0.0740237 -3.3411261 27 O -1.0508980 -0.4151252 -0.0830512 -0.4178739 -2.8821435 -0.1778828 0.0431025 -0.1377153 -0.9665993 28 O -1.0508980 0.4151252 0.0830512 0.4178739 -2.8821435 -0.1778828 -0.0431025 -0.1377153 -0.9665993 ---------------------------------------------------------------------------- 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 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 9 4 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.149 ( 0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.458 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.385 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.334 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.430 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 5.915 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 6.003 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.093 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.791 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 7.684 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 7.929 ( 0.000 0.000 0.000) 0.000 7.952 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 8.811 ( 0.000 0.000 0.000) 0.000 8.897 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 9.379 ( 0.000 0.000 0.000) 0.000 9.566 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 9.849 ( 0.000 0.000 0.000) 0.000 10.194 ( 0.000 0.000 0.000) 0.000 10.212 ( 0.000 0.000 0.000) 0.000 10.403 ( 0.000 0.000 0.000) 0.000 10.494 ( 0.000 0.000 0.000) 0.000 11.216 ( 0.000 0.000 0.000) 0.000 11.256 ( 0.000 0.000 0.000) 0.000 13.421 ( 0.000 0.000 0.000) 0.000 13.424 ( 0.000 0.000 0.000) 0.000 13.668 ( 0.000 0.000 0.000) 0.000 13.683 ( 0.000 0.000 0.000) 0.000 15.949 ( 0.000 0.000 0.000) 0.000 16.482 ( 0.000 0.000 0.000) 0.000 20.586 ( 0.000 0.000 0.000) 0.000 20.933 ( 0.000 0.000 0.000) 0.000 21.376 ( 0.000 0.000 0.000) 0.000 21.880 ( 0.000 0.000 0.000) 0.000 22.158 ( 0.000 0.000 0.000) 0.000 23.047 ( 0.000 0.000 0.000) 0.000 23.111 ( 0.000 0.000 0.000) 0.000 24.057 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 21.374 0.000 0.000) 21.374 0.608 ( 31.577 0.000 0.000) 31.577 0.796 ( 40.939 0.000 0.000) 40.939 1.337 ( 18.140 0.000 0.000) 18.140 1.383 ( 15.336 0.000 0.000) 15.336 2.359 ( 9.580 0.000 0.000) 9.580 2.401 ( -5.664 0.000 0.000) 5.664 2.463 ( -4.904 0.000 0.000) 4.904 2.584 ( -19.401 0.000 0.000) 19.401 2.730 ( 2.840 0.000 0.000) 2.840 2.974 ( -3.368 0.000 0.000) 3.368 3.221 ( 5.125 0.000 0.000) 5.125 3.386 ( 0.159 0.000 0.000) 0.159 3.508 ( -6.878 0.000 0.000) 6.878 3.551 ( 7.737 0.000 0.000) 7.737 3.758 ( -0.269 0.000 0.000) 0.269 3.852 ( 0.631 0.000 0.000) 0.631 4.041 ( 8.035 0.000 0.000) 8.035 4.065 ( 2.380 0.000 0.000) 2.380 4.332 ( -0.317 0.000 0.000) 0.317 4.364 ( 0.941 0.000 0.000) 0.941 4.402 ( 2.071 0.000 0.000) 2.071 4.487 ( -5.441 0.000 0.000) 5.441 4.642 ( -6.456 0.000 0.000) 6.456 4.727 ( -6.598 0.000 0.000) 6.598 4.760 ( -0.058 0.000 0.000) 0.058 4.869 ( -3.033 0.000 0.000) 3.033 5.163 ( -5.481 0.000 0.000) 5.481 5.232 ( 2.264 0.000 0.000) 2.264 5.390 ( -7.621 0.000 0.000) 7.621 5.542 ( -6.002 0.000 0.000) 6.002 5.713 ( -18.577 0.000 0.000) 18.577 5.749 ( -12.165 0.000 0.000) 12.165 5.812 ( -4.564 0.000 0.000) 4.564 5.911 ( -4.127 0.000 0.000) 4.127 5.993 ( -9.280 0.000 0.000) 9.280 6.054 ( 0.148 0.000 0.000) 0.148 6.086 ( -3.681 0.000 0.000) 3.681 6.218 ( 2.073 0.000 0.000) 2.073 6.224 ( 6.829 0.000 0.000) 6.829 6.446 ( 2.295 0.000 0.000) 2.295 6.580 ( -11.119 0.000 0.000) 11.119 6.688 ( -1.266 0.000 0.000) 1.266 6.909 ( -0.234 0.000 0.000) 0.234 7.055 ( 17.680 0.000 0.000) 17.680 7.165 ( 2.893 0.000 0.000) 2.893 7.247 ( 19.097 0.000 0.000) 19.097 7.464 ( -0.139 0.000 0.000) 0.139 7.572 ( -1.108 0.000 0.000) 1.108 7.611 ( -3.227 0.000 0.000) 3.227 7.893 ( 8.588 0.000 0.000) 8.588 7.946 ( 5.113 0.000 0.000) 5.113 7.972 ( 4.111 0.000 0.000) 4.111 7.979 ( 2.661 0.000 0.000) 2.661 8.371 ( -1.068 0.000 0.000) 1.068 8.730 ( -1.215 0.000 0.000) 1.215 8.745 ( 2.695 0.000 0.000) 2.695 8.779 ( -3.348 0.000 0.000) 3.348 9.092 ( 18.877 0.000 0.000) 18.877 9.231 ( 19.715 0.000 0.000) 19.715 9.337 ( -4.308 0.000 0.000) 4.308 9.775 ( 9.343 0.000 0.000) 9.343 9.800 ( -5.026 0.000 0.000) 5.026 10.181 ( 5.198 0.000 0.000) 5.198 10.206 ( -0.689 0.000 0.000) 0.689 10.241 ( 5.149 0.000 0.000) 5.149 10.375 ( -2.733 0.000 0.000) 2.733 10.519 ( 2.746 0.000 0.000) 2.746 11.212 ( -0.595 0.000 0.000) 0.595 11.265 ( 0.656 0.000 0.000) 0.656 13.333 ( -9.228 0.000 0.000) 9.228 13.337 ( -9.147 0.000 0.000) 9.147 13.944 ( 25.449 0.000 0.000) 25.449 16.064 ( 11.873 0.000 0.000) 11.873 16.442 ( -4.234 0.000 0.000) 4.234 19.310 ( -16.158 0.000 0.000) 16.158 20.607 ( 2.244 0.000 0.000) 2.244 21.345 ( -3.111 0.000 0.000) 3.111 21.539 ( 6.560 0.000 0.000) 6.560 21.987 ( 10.283 0.000 0.000) 10.283 22.215 ( 5.677 0.000 0.000) 5.677 23.012 ( -3.640 0.000 0.000) 3.640 23.082 ( -2.952 0.000 0.000) 2.952 23.923 ( -13.320 0.000 0.000) 13.320 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 19.830 0.000 0.000) 19.830 1.184 ( 28.972 0.000 0.000) 28.972 1.514 ( 32.954 0.000 0.000) 32.954 1.727 ( 18.541 0.000 0.000) 18.541 1.760 ( 24.886 0.000 0.000) 24.886 2.211 ( -16.761 0.000 0.000) 16.761 2.267 ( -7.893 0.000 0.000) 7.893 2.353 ( -5.496 0.000 0.000) 5.496 2.601 ( 15.083 0.000 0.000) 15.083 2.812 ( 5.591 0.000 0.000) 5.591 2.885 ( -6.032 0.000 0.000) 6.032 3.342 ( -9.502 0.000 0.000) 9.502 3.352 ( 8.364 0.000 0.000) 8.364 3.389 ( -0.264 0.000 0.000) 0.264 3.678 ( 6.060 0.000 0.000) 6.060 3.747 ( -0.390 0.000 0.000) 0.390 3.868 ( 1.148 0.000 0.000) 1.148 4.132 ( 4.576 0.000 0.000) 4.576 4.199 ( 5.636 0.000 0.000) 5.636 4.319 ( -1.155 0.000 0.000) 1.155 4.358 ( -6.554 0.000 0.000) 6.554 4.363 ( -1.982 0.000 0.000) 1.982 4.418 ( -3.845 0.000 0.000) 3.845 4.526 ( -1.496 0.000 0.000) 1.496 4.574 ( -8.697 0.000 0.000) 8.697 4.756 ( -0.533 0.000 0.000) 0.533 4.810 ( -2.651 0.000 0.000) 2.651 5.033 ( -9.170 0.000 0.000) 9.170 5.125 ( -19.829 0.000 0.000) 19.829 5.251 ( -0.638 0.000 0.000) 0.638 5.326 ( -13.223 0.000 0.000) 13.223 5.447 ( -7.885 0.000 0.000) 7.885 5.484 ( -15.077 0.000 0.000) 15.077 5.716 ( -16.029 0.000 0.000) 16.029 5.754 ( -4.790 0.000 0.000) 4.790 5.835 ( -4.200 0.000 0.000) 4.200 6.036 ( -0.403 0.000 0.000) 0.403 6.088 ( 1.135 0.000 0.000) 1.135 6.244 ( 0.798 0.000 0.000) 0.798 6.325 ( 3.394 0.000 0.000) 3.394 6.441 ( -3.736 0.000 0.000) 3.736 6.497 ( 2.600 0.000 0.000) 2.600 6.663 ( -0.867 0.000 0.000) 0.867 6.896 ( -1.255 0.000 0.000) 1.255 7.226 ( 3.461 0.000 0.000) 3.461 7.328 ( 7.703 0.000 0.000) 7.703 7.467 ( 0.585 0.000 0.000) 0.585 7.477 ( 2.914 0.000 0.000) 2.914 7.639 ( 7.818 0.000 0.000) 7.818 7.652 ( 11.953 0.000 0.000) 11.953 8.041 ( 3.474 0.000 0.000) 3.474 8.060 ( 4.626 0.000 0.000) 4.626 8.070 ( 7.221 0.000 0.000) 7.221 8.128 ( 17.087 0.000 0.000) 17.087 8.353 ( -0.357 0.000 0.000) 0.357 8.690 ( -5.847 0.000 0.000) 5.847 8.691 ( -2.850 0.000 0.000) 2.850 8.835 ( 3.333 0.000 0.000) 3.333 9.219 ( -8.071 0.000 0.000) 8.071 9.523 ( 23.995 0.000 0.000) 23.995 9.574 ( 17.107 0.000 0.000) 17.107 9.669 ( -8.592 0.000 0.000) 8.592 10.047 ( 17.139 0.000 0.000) 17.139 10.185 ( -1.455 0.000 0.000) 1.455 10.312 ( -3.566 0.000 0.000) 3.566 10.342 ( 12.264 0.000 0.000) 12.264 10.421 ( 15.472 0.000 0.000) 15.472 10.612 ( 7.901 0.000 0.000) 7.901 11.183 ( -2.817 0.000 0.000) 2.817 11.263 ( -1.382 0.000 0.000) 1.382 13.076 ( -17.859 0.000 0.000) 17.859 13.081 ( -17.854 0.000 0.000) 17.854 14.524 ( 32.635 0.000 0.000) 32.635 16.323 ( -8.224 0.000 0.000) 8.224 16.378 ( 20.597 0.000 0.000) 20.597 18.911 ( -24.820 0.000 0.000) 24.820 20.669 ( 4.180 0.000 0.000) 4.180 21.263 ( -5.419 0.000 0.000) 5.419 21.717 ( 11.870 0.000 0.000) 11.870 22.222 ( 13.522 0.000 0.000) 13.522 22.353 ( 8.317 0.000 0.000) 8.317 22.912 ( -6.818 0.000 0.000) 6.818 23.005 ( -5.052 0.000 0.000) 5.052 23.604 ( -18.882 0.000 0.000) 18.882 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 17.733 0.000 0.000) 17.733 1.689 ( 23.666 0.000 0.000) 23.666 1.779 ( -4.739 0.000 0.000) 4.739 1.922 ( -2.147 0.000 0.000) 2.147 2.110 ( -8.507 0.000 0.000) 8.507 2.235 ( 24.416 0.000 0.000) 24.416 2.235 ( 18.653 0.000 0.000) 18.653 2.377 ( 11.346 0.000 0.000) 11.346 2.753 ( -7.144 0.000 0.000) 7.144 2.853 ( 7.443 0.000 0.000) 7.443 2.918 ( 4.632 0.000 0.000) 4.632 3.241 ( 3.382 0.000 0.000) 3.382 3.334 ( -6.843 0.000 0.000) 6.843 3.528 ( 10.141 0.000 0.000) 10.141 3.783 ( 5.145 0.000 0.000) 5.145 3.802 ( 7.334 0.000 0.000) 7.334 3.897 ( 1.936 0.000 0.000) 1.936 4.122 ( -10.285 0.000 0.000) 10.285 4.231 ( 5.302 0.000 0.000) 5.302 4.259 ( -8.656 0.000 0.000) 8.656 4.292 ( -6.117 0.000 0.000) 6.117 4.293 ( -1.059 0.000 0.000) 1.059 4.321 ( -2.099 0.000 0.000) 2.099 4.428 ( -6.559 0.000 0.000) 6.559 4.576 ( 3.499 0.000 0.000) 3.499 4.718 ( -9.573 0.000 0.000) 9.573 4.766 ( -9.324 0.000 0.000) 9.324 4.773 ( -17.105 0.000 0.000) 17.105 4.780 ( -0.802 0.000 0.000) 0.802 5.153 ( -4.657 0.000 0.000) 4.657 5.187 ( -16.101 0.000 0.000) 16.101 5.218 ( -2.059 0.000 0.000) 2.059 5.389 ( 1.460 0.000 0.000) 1.460 5.442 ( -12.121 0.000 0.000) 12.121 5.602 ( -10.203 0.000 0.000) 10.203 5.748 ( -5.160 0.000 0.000) 5.160 6.056 ( 1.871 0.000 0.000) 1.871 6.103 ( 0.401 0.000 0.000) 0.401 6.256 ( 0.586 0.000 0.000) 0.586 6.341 ( -1.460 0.000 0.000) 1.460 6.427 ( 1.593 0.000 0.000) 1.593 6.529 ( 0.592 0.000 0.000) 0.592 6.675 ( 2.240 0.000 0.000) 2.240 6.859 ( -2.598 0.000 0.000) 2.598 7.294 ( 3.627 0.000 0.000) 3.627 7.394 ( 1.344 0.000 0.000) 1.344 7.485 ( 1.092 0.000 0.000) 1.092 7.489 ( 0.350 0.000 0.000) 0.350 7.801 ( 8.233 0.000 0.000) 8.233 7.943 ( 15.778 0.000 0.000) 15.778 8.091 ( 1.206 0.000 0.000) 1.206 8.132 ( 2.765 0.000 0.000) 2.765 8.176 ( 2.811 0.000 0.000) 2.811 8.396 ( 6.222 0.000 0.000) 6.222 8.500 ( 20.576 0.000 0.000) 20.576 8.563 ( -7.486 0.000 0.000) 7.486 8.636 ( -2.300 0.000 0.000) 2.300 8.828 ( -3.363 0.000 0.000) 3.363 9.038 ( -10.831 0.000 0.000) 10.831 9.477 ( -11.789 0.000 0.000) 11.789 9.865 ( 12.337 0.000 0.000) 12.337 9.898 ( 14.190 0.000 0.000) 14.190 10.153 ( -1.919 0.000 0.000) 1.919 10.245 ( -3.571 0.000 0.000) 3.571 10.360 ( 16.172 0.000 0.000) 16.172 10.617 ( 14.191 0.000 0.000) 14.191 10.860 ( 29.862 0.000 0.000) 29.862 10.892 ( 24.185 0.000 0.000) 24.185 11.094 ( -6.818 0.000 0.000) 6.818 11.201 ( -5.352 0.000 0.000) 5.352 12.663 ( -25.562 0.000 0.000) 25.562 12.666 ( -25.849 0.000 0.000) 25.849 15.098 ( 27.059 0.000 0.000) 27.059 16.133 ( -11.827 0.000 0.000) 11.827 16.820 ( 25.604 0.000 0.000) 25.604 18.406 ( -27.994 0.000 0.000) 27.994 20.763 ( 5.681 0.000 0.000) 5.681 21.146 ( -6.763 0.000 0.000) 6.763 21.973 ( 14.734 0.000 0.000) 14.734 22.474 ( 12.896 0.000 0.000) 12.896 22.511 ( 8.088 0.000 0.000) 8.088 22.754 ( -9.966 0.000 0.000) 9.966 22.898 ( -6.031 0.000 0.000) 6.031 23.252 ( -17.583 0.000 0.000) 17.583 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 15.680 0.000 0.000) 15.680 1.744 ( 3.318 0.000 0.000) 3.318 1.748 ( -12.992 0.000 0.000) 12.992 1.876 ( -7.896 0.000 0.000) 7.896 2.140 ( 16.100 0.000 0.000) 16.100 2.392 ( -6.888 0.000 0.000) 6.888 2.639 ( 15.438 0.000 0.000) 15.438 2.642 ( 11.933 0.000 0.000) 11.933 2.728 ( 6.561 0.000 0.000) 6.561 2.847 ( -4.578 0.000 0.000) 4.578 2.962 ( 1.426 0.000 0.000) 1.426 3.129 ( -13.492 0.000 0.000) 13.492 3.501 ( 19.475 0.000 0.000) 19.475 3.733 ( 11.278 0.000 0.000) 11.278 3.860 ( -15.389 0.000 0.000) 15.389 3.889 ( -0.049 0.000 0.000) 0.049 3.943 ( 2.740 0.000 0.000) 2.740 3.947 ( 3.372 0.000 0.000) 3.372 4.128 ( 0.760 0.000 0.000) 0.760 4.219 ( -4.549 0.000 0.000) 4.549 4.225 ( -1.760 0.000 0.000) 1.760 4.233 ( -3.071 0.000 0.000) 3.071 4.323 ( -4.018 0.000 0.000) 4.018 4.367 ( 6.634 0.000 0.000) 6.634 4.406 ( -15.642 0.000 0.000) 15.642 4.502 ( -8.130 0.000 0.000) 8.130 4.684 ( 4.116 0.000 0.000) 4.116 4.752 ( 2.995 0.000 0.000) 2.995 4.753 ( -2.605 0.000 0.000) 2.605 4.901 ( -12.712 0.000 0.000) 12.712 5.124 ( 1.152 0.000 0.000) 1.152 5.178 ( -3.289 0.000 0.000) 3.289 5.308 ( -0.041 0.000 0.000) 0.041 5.411 ( -8.970 0.000 0.000) 8.970 5.483 ( 7.433 0.000 0.000) 7.433 5.631 ( -7.369 0.000 0.000) 7.369 6.088 ( 1.328 0.000 0.000) 1.328 6.104 ( -0.345 0.000 0.000) 0.345 6.270 ( 1.074 0.000 0.000) 1.074 6.300 ( -2.121 0.000 0.000) 2.121 6.474 ( 2.803 0.000 0.000) 2.803 6.519 ( -1.620 0.000 0.000) 1.620 6.734 ( 3.547 0.000 0.000) 3.547 6.801 ( -3.429 0.000 0.000) 3.429 7.359 ( 2.987 0.000 0.000) 2.987 7.398 ( -0.973 0.000 0.000) 0.973 7.499 ( 0.521 0.000 0.000) 0.521 7.501 ( 0.447 0.000 0.000) 0.447 7.949 ( 7.348 0.000 0.000) 7.348 8.064 ( -4.195 0.000 0.000) 4.195 8.167 ( 1.131 0.000 0.000) 1.131 8.173 ( 2.627 0.000 0.000) 2.627 8.222 ( 8.774 0.000 0.000) 8.774 8.407 ( -9.021 0.000 0.000) 9.021 8.579 ( 11.948 0.000 0.000) 11.948 8.634 ( 2.498 0.000 0.000) 2.498 8.713 ( -4.329 0.000 0.000) 4.329 8.816 ( -12.489 0.000 0.000) 12.489 8.900 ( 17.655 0.000 0.000) 17.655 9.220 ( -15.370 0.000 0.000) 15.370 10.031 ( 5.826 0.000 0.000) 5.826 10.081 ( 6.415 0.000 0.000) 6.415 10.109 ( -2.905 0.000 0.000) 2.905 10.175 ( -4.015 0.000 0.000) 4.015 10.663 ( 15.334 0.000 0.000) 15.334 10.857 ( 11.791 0.000 0.000) 11.791 10.920 ( -11.537 0.000 0.000) 11.537 11.060 ( -9.341 0.000 0.000) 9.341 11.474 ( 34.202 0.000 0.000) 34.202 11.483 ( 34.441 0.000 0.000) 34.441 12.113 ( -32.178 0.000 0.000) 32.178 12.118 ( -31.737 0.000 0.000) 31.737 15.542 ( 20.174 0.000 0.000) 20.174 15.876 ( -15.411 0.000 0.000) 15.411 17.330 ( 27.935 0.000 0.000) 27.935 17.867 ( -28.650 0.000 0.000) 28.650 20.881 ( 6.715 0.000 0.000) 6.715 21.013 ( -7.149 0.000 0.000) 7.149 22.259 ( 15.179 0.000 0.000) 15.179 22.533 ( -13.342 0.000 0.000) 13.342 22.654 ( 7.024 0.000 0.000) 7.024 22.710 ( 12.274 0.000 0.000) 12.274 22.780 ( -6.405 0.000 0.000) 6.405 22.954 ( -13.965 0.000 0.000) 13.965 ======================= Grid point 9 (6/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 0.000 19.923 0.000) 19.923 0.456 ( 0.000 21.097 0.000) 21.097 0.894 ( 0.000 41.374 0.000) 41.374 1.067 ( 0.000 -8.905 0.000) 8.905 1.126 ( 0.000 -9.278 0.000) 9.278 2.229 ( 0.000 -19.553 0.000) 19.553 2.378 ( 0.000 10.375 0.000) 10.375 2.522 ( 0.000 -0.713 0.000) 0.713 2.610 ( 0.000 -6.044 0.000) 6.044 2.826 ( 0.000 1.457 0.000) 1.457 3.048 ( 0.000 -6.693 0.000) 6.693 3.142 ( 0.000 9.604 0.000) 9.604 3.390 ( 0.000 -3.543 0.000) 3.543 3.470 ( 0.000 1.785 0.000) 1.785 3.476 ( 0.000 -10.235 0.000) 10.235 3.511 ( 0.000 -6.045 0.000) 6.045 3.992 ( 0.000 2.680 0.000) 2.680 4.049 ( 0.000 0.380 0.000) 0.380 4.110 ( 0.000 12.047 0.000) 12.047 4.365 ( 0.000 0.786 0.000) 0.786 4.377 ( 0.000 -0.308 0.000) 0.308 4.407 ( 0.000 -2.912 0.000) 2.912 4.420 ( 0.000 7.952 0.000) 7.952 4.647 ( 0.000 -1.685 0.000) 1.685 4.788 ( 0.000 -0.462 0.000) 0.462 4.789 ( 0.000 2.734 0.000) 2.734 4.958 ( 0.000 5.444 0.000) 5.444 5.165 ( 0.000 -4.725 0.000) 4.725 5.172 ( 0.000 -2.606 0.000) 2.606 5.334 ( 0.000 -9.539 0.000) 9.539 5.775 ( 0.000 4.986 0.000) 4.986 5.858 ( 0.000 -7.187 0.000) 7.187 5.860 ( 0.000 -0.362 0.000) 0.362 5.876 ( 0.000 -7.632 0.000) 7.632 5.945 ( 0.000 -1.243 0.000) 1.243 5.981 ( 0.000 -2.013 0.000) 2.013 6.248 ( 0.000 7.005 0.000) 7.005 6.253 ( 0.000 6.581 0.000) 6.581 6.262 ( 0.000 6.217 0.000) 6.217 6.409 ( 0.000 1.221 0.000) 1.221 6.636 ( 0.000 -0.655 0.000) 0.655 6.715 ( 0.000 0.645 0.000) 0.645 6.801 ( 0.000 0.960 0.000) 0.960 6.803 ( 0.000 -3.518 0.000) 3.518 6.865 ( 0.000 -1.545 0.000) 1.545 6.879 ( 0.000 -2.902 0.000) 2.902 7.173 ( 0.000 3.744 0.000) 3.744 7.403 ( 0.000 -5.371 0.000) 5.371 7.606 ( 0.000 0.946 0.000) 0.946 7.662 ( 0.000 -1.597 0.000) 1.597 7.686 ( 0.000 1.731 0.000) 1.731 7.761 ( 0.000 -1.282 0.000) 1.282 7.981 ( 0.000 2.627 0.000) 2.627 7.981 ( 0.000 3.355 0.000) 3.355 8.189 ( 0.000 8.615 0.000) 8.615 8.675 ( 0.000 -11.066 0.000) 11.066 8.787 ( 0.000 -1.574 0.000) 1.574 8.834 ( 0.000 -2.931 0.000) 2.931 8.909 ( 0.000 0.583 0.000) 0.583 8.923 ( 0.000 -0.040 0.000) 0.040 9.447 ( 0.000 4.829 0.000) 4.829 9.558 ( 0.000 -0.813 0.000) 0.813 9.713 ( 0.000 1.792 0.000) 1.792 9.827 ( 0.000 -2.108 0.000) 2.108 10.218 ( 0.000 2.004 0.000) 2.004 10.284 ( 0.000 -0.661 0.000) 0.661 10.412 ( 0.000 0.906 0.000) 0.906 10.478 ( 0.000 -1.500 0.000) 1.500 11.226 ( 0.000 0.865 0.000) 0.865 11.255 ( 0.000 -0.191 0.000) 0.191 13.423 ( 0.000 0.013 0.000) 0.013 13.424 ( 0.000 -0.013 0.000) 0.013 13.671 ( 0.000 0.228 0.000) 0.228 13.681 ( 0.000 -0.179 0.000) 0.179 16.019 ( 0.000 6.561 0.000) 6.561 16.395 ( 0.000 -7.768 0.000) 7.768 21.003 ( 0.000 6.315 0.000) 6.315 21.315 ( 0.000 -5.595 0.000) 5.595 21.918 ( 0.000 3.534 0.000) 3.534 22.114 ( 0.000 -3.951 0.000) 3.951 23.057 ( 0.000 0.949 0.000) 0.949 23.102 ( 0.000 -0.773 0.000) 0.773 24.090 ( 0.000 2.986 0.000) 2.986 24.235 ( 0.000 -2.540 0.000) 2.540 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 17.731 17.759 0.000) 25.096 0.752 ( 26.295 12.092 0.000) 28.942 1.085 ( 20.955 26.371 0.000) 33.682 1.254 ( 18.407 -7.838 0.000) 20.006 1.294 ( 16.038 -8.383 0.000) 18.097 2.158 ( -7.296 -18.081 0.000) 19.498 2.460 ( 7.704 8.593 0.000) 11.541 2.511 ( 0.048 0.737 0.000) 0.738 2.528 ( -9.678 -3.578 0.000) 10.318 2.788 ( -2.634 4.910 0.000) 5.572 2.998 ( -2.025 -3.210 0.000) 3.795 3.164 ( 2.570 1.088 0.000) 2.791 3.286 ( -7.529 -9.504 0.000) 12.125 3.455 ( -2.409 -7.804 0.000) 8.167 3.583 ( 7.859 1.917 0.000) 8.090 3.600 ( 5.878 -1.398 0.000) 6.042 4.063 ( 7.469 1.930 0.000) 7.715 4.075 ( 1.486 3.583 0.000) 3.879 4.092 ( -0.571 8.564 0.000) 8.583 4.379 ( 1.174 0.922 0.000) 1.492 4.392 ( 1.510 -1.068 0.000) 1.850 4.423 ( -0.042 8.624 0.000) 8.624 4.441 ( -2.301 -5.073 0.000) 5.570 4.600 ( -4.642 -0.669 0.000) 4.690 4.730 ( -5.882 0.223 0.000) 5.886 4.806 ( 0.152 2.061 0.000) 2.066 4.891 ( -5.509 2.744 0.000) 6.155 5.098 ( -6.300 -5.820 0.000) 8.577 5.203 ( 1.761 -2.517 0.000) 3.072 5.280 ( -6.094 -7.894 0.000) 9.973 5.597 ( -10.934 2.451 0.000) 11.206 5.682 ( -13.174 -4.238 0.000) 13.839 5.694 ( -15.813 0.873 0.000) 15.837 5.862 ( -5.833 -4.311 0.000) 7.253 5.938 ( -4.280 1.476 0.000) 4.528 5.984 ( 0.689 -3.341 0.000) 3.412 6.026 ( -9.144 6.104 0.000) 10.994 6.122 ( -12.164 6.001 0.000) 13.563 6.290 ( 2.720 3.000 0.000) 4.049 6.307 ( -0.314 4.102 0.000) 4.114 6.466 ( 1.093 1.737 0.000) 2.052 6.547 ( -7.643 -2.388 0.000) 8.007 6.710 ( -2.071 2.018 0.000) 2.892 6.862 ( -0.722 -4.037 0.000) 4.101 7.075 ( 17.789 1.927 0.000) 17.893 7.173 ( 10.580 -0.830 0.000) 10.612 7.263 ( 11.728 2.945 0.000) 12.092 7.437 ( 0.263 -2.592 0.000) 2.606 7.580 ( -1.027 0.562 0.000) 1.171 7.602 ( -2.478 -0.647 0.000) 2.561 7.868 ( 7.965 -0.885 0.000) 8.014 7.936 ( 7.709 -1.908 0.000) 7.942 8.009 ( 3.153 2.258 0.000) 3.878 8.026 ( 4.421 3.059 0.000) 5.376 8.334 ( 4.529 0.705 0.000) 4.584 8.649 ( 1.424 -8.236 0.000) 8.358 8.756 ( -3.462 1.035 0.000) 3.613 8.766 ( -1.992 -0.985 0.000) 2.222 9.098 ( 18.376 0.455 0.000) 18.381 9.153 ( 15.737 -3.397 0.000) 16.100 9.475 ( 1.489 8.613 0.000) 8.741 9.766 ( -4.119 -3.544 0.000) 5.434 9.792 ( 10.151 1.641 0.000) 10.282 10.001 ( 16.594 -10.168 0.000) 19.461 10.251 ( 3.394 0.737 0.000) 3.473 10.255 ( -1.454 0.976 0.000) 1.751 10.392 ( -1.553 1.693 0.000) 2.297 10.496 ( 2.152 -2.114 0.000) 3.016 11.228 ( -0.200 1.282 0.000) 1.297 11.265 ( 0.679 -0.175 0.000) 0.701 13.334 ( -9.234 0.043 0.000) 9.234 13.336 ( -9.179 -0.062 0.000) 9.180 14.040 ( 33.716 10.100 0.000) 35.196 15.876 ( 96.877 -107.508 0.000) 144.717 16.119 ( 10.364 5.173 0.000) 11.583 16.481 ( 24.642 -23.561 0.000) 34.094 21.008 ( 0.364 7.299 0.000) 7.308 21.296 ( -1.983 -4.651 0.000) 5.056 22.012 ( 9.183 2.499 0.000) 9.517 22.172 ( 5.780 -3.739 0.000) 6.884 23.024 ( -3.459 1.063 0.000) 3.618 23.067 ( -4.934 0.805 0.000) 4.999 23.264 ( -59.636 53.645 0.000) 80.214 23.917 ( -16.830 -1.139 0.000) 16.869 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 12.556 16.761 0.000) 20.942 1.276 ( 27.610 8.239 0.000) 28.813 1.568 ( 24.667 4.524 0.000) 25.079 1.656 ( 20.277 -7.332 0.000) 21.562 1.684 ( 25.286 -6.783 0.000) 26.180 1.980 ( -10.670 -16.374 0.000) 19.544 2.293 ( -10.624 7.305 0.000) 12.893 2.494 ( -0.450 3.317 0.000) 3.347 2.685 ( 13.494 7.339 0.000) 15.360 2.805 ( 3.361 1.557 0.000) 3.704 2.947 ( -3.845 2.833 0.000) 4.776 3.153 ( -5.640 -11.319 0.000) 12.646 3.262 ( 7.793 -6.030 0.000) 9.854 3.381 ( -5.240 -6.387 0.000) 8.261 3.703 ( 5.279 2.349 0.000) 5.778 3.715 ( 6.538 2.565 0.000) 7.023 4.044 ( -1.901 8.348 0.000) 8.561 4.157 ( 4.844 2.600 0.000) 5.498 4.205 ( 3.507 -0.079 0.000) 3.508 4.346 ( -2.891 -2.924 0.000) 4.112 4.383 ( -2.152 1.467 0.000) 2.605 4.403 ( -4.343 -0.924 0.000) 4.440 4.407 ( -1.644 8.643 0.000) 8.798 4.520 ( -0.588 1.087 0.000) 1.236 4.589 ( -7.903 1.665 0.000) 8.077 4.774 ( -3.510 0.296 0.000) 3.522 4.787 ( -4.994 -1.687 0.000) 5.271 4.932 ( -12.370 -6.823 0.000) 14.127 5.111 ( -9.918 -3.925 0.000) 10.667 5.190 ( -4.030 -5.157 0.000) 6.545 5.359 ( -18.141 4.940 0.000) 18.801 5.433 ( -6.016 -1.265 0.000) 6.147 5.444 ( -10.186 -2.371 0.000) 10.459 5.640 ( -16.266 -5.376 0.000) 17.131 5.806 ( -7.767 4.451 0.000) 8.952 5.919 ( -8.080 3.362 0.000) 8.752 5.981 ( -0.026 -3.029 0.000) 3.029 6.009 ( 1.203 -5.083 0.000) 5.223 6.318 ( 1.023 4.298 0.000) 4.418 6.336 ( 2.169 0.763 0.000) 2.299 6.488 ( -0.739 3.465 0.000) 3.543 6.504 ( 2.061 0.796 0.000) 2.210 6.669 ( -1.528 0.920 0.000) 1.784 6.843 ( -1.361 -4.774 0.000) 4.964 7.257 ( 2.966 2.543 0.000) 3.907 7.328 ( 6.748 -0.167 0.000) 6.750 7.458 ( 0.745 -0.597 0.000) 0.954 7.469 ( 3.170 -0.656 0.000) 3.238 7.648 ( 9.158 0.666 0.000) 9.182 7.656 ( 11.940 0.278 0.000) 11.943 8.041 ( 8.583 -0.429 0.000) 8.594 8.072 ( 5.890 2.320 0.000) 6.330 8.091 ( 6.337 1.126 0.000) 6.436 8.159 ( 11.273 1.197 0.000) 11.336 8.360 ( -0.309 2.141 0.000) 2.163 8.653 ( -2.916 -5.232 0.000) 5.989 8.697 ( -3.082 0.282 0.000) 3.095 8.734 ( -1.465 -5.180 0.000) 5.384 9.317 ( -2.430 6.977 0.000) 7.388 9.508 ( 20.035 -1.654 0.000) 20.103 9.585 ( 14.461 1.039 0.000) 14.499 9.653 ( -5.124 -1.459 0.000) 5.328 10.072 ( 15.862 2.309 0.000) 16.029 10.175 ( 0.973 -1.099 0.000) 1.468 10.302 ( 0.183 -0.702 0.000) 0.726 10.322 ( 12.059 -1.616 0.000) 12.167 10.449 ( 12.105 2.480 0.000) 12.356 10.580 ( 7.826 -2.804 0.000) 8.313 11.207 ( -2.338 1.968 0.000) 3.056 11.262 ( -1.401 -0.228 0.000) 1.419 13.076 ( -17.865 0.043 0.000) 17.865 13.080 ( -17.864 -0.097 0.000) 17.864 14.747 ( 36.444 22.388 0.000) 42.772 16.235 ( -2.854 -11.704 0.000) 12.047 16.395 ( 18.072 1.889 0.000) 18.171 17.426 ( 31.716 -86.532 0.000) 92.161 21.010 ( -0.171 10.742 0.000) 10.743 21.242 ( -3.578 -2.183 0.000) 4.191 22.223 ( 11.654 0.674 0.000) 11.674 22.313 ( 8.507 -3.234 0.000) 9.101 22.474 ( -21.843 49.297 0.000) 53.919 22.931 ( -6.330 1.538 0.000) 6.514 22.995 ( -5.352 -0.902 0.000) 5.428 23.534 ( -21.529 -7.492 0.000) 22.795 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 9.652 6.364 0.000) 11.561 1.751 ( 9.715 -1.188 0.000) 9.787 1.789 ( 2.748 -6.955 0.000) 7.478 1.834 ( 3.163 3.657 0.000) 4.835 1.982 ( 11.667 -4.352 0.000) 12.452 2.149 ( 22.703 -7.010 0.000) 23.760 2.315 ( 12.877 6.827 0.000) 14.574 2.495 ( 2.090 4.487 0.000) 4.950 2.799 ( -5.678 4.276 0.000) 7.108 2.898 ( 5.463 3.429 0.000) 6.450 2.931 ( 3.340 1.211 0.000) 3.553 3.120 ( 1.447 -9.518 0.000) 9.627 3.288 ( -0.589 -2.207 0.000) 2.285 3.444 ( 11.158 -6.693 0.000) 13.011 3.816 ( 6.946 3.846 0.000) 7.940 3.850 ( 7.975 3.251 0.000) 8.612 4.027 ( 0.306 6.544 0.000) 6.551 4.125 ( -7.565 -0.198 0.000) 7.568 4.238 ( -3.403 1.468 0.000) 3.706 4.256 ( -7.997 -0.738 0.000) 8.031 4.274 ( -1.995 1.897 0.000) 2.753 4.365 ( -2.699 6.778 0.000) 7.295 4.377 ( -1.024 1.805 0.000) 2.075 4.465 ( -5.378 3.571 0.000) 6.456 4.564 ( 3.052 -0.620 0.000) 3.114 4.602 ( -13.962 -6.483 0.000) 15.393 4.721 ( -1.798 -5.549 0.000) 5.833 4.733 ( -4.501 -1.118 0.000) 4.638 4.916 ( -13.977 5.697 0.000) 15.093 5.055 ( -9.008 -6.986 0.000) 11.399 5.068 ( -8.943 -4.725 0.000) 10.114 5.287 ( -12.358 0.047 0.000) 12.358 5.355 ( -7.091 -4.363 0.000) 8.326 5.392 ( 1.610 -0.344 0.000) 1.647 5.635 ( -9.903 3.389 0.000) 10.467 5.775 ( -7.577 0.159 0.000) 7.578 5.995 ( 1.229 -3.573 0.000) 3.778 6.030 ( 0.738 -5.085 0.000) 5.139 6.342 ( 1.477 5.232 0.000) 5.436 6.385 ( 3.106 1.719 0.000) 3.550 6.460 ( -2.418 4.449 0.000) 5.064 6.526 ( -0.005 0.152 0.000) 0.152 6.676 ( 2.041 -0.038 0.000) 2.041 6.813 ( -1.781 -4.325 0.000) 4.677 7.319 ( 3.492 2.283 0.000) 4.172 7.404 ( 2.283 0.540 0.000) 2.346 7.460 ( 0.341 -1.811 0.000) 1.843 7.480 ( 0.084 -0.865 0.000) 0.869 7.834 ( 9.150 2.767 0.000) 9.560 7.929 ( 13.834 -1.200 0.000) 13.885 8.146 ( 2.605 4.531 0.000) 5.227 8.147 ( 3.588 1.545 0.000) 3.907 8.216 ( 3.965 2.992 0.000) 4.967 8.367 ( 2.560 -1.091 0.000) 2.783 8.419 ( 9.011 -5.715 0.000) 10.671 8.595 ( 0.862 -1.198 0.000) 1.476 8.657 ( 0.150 1.324 0.000) 1.332 8.684 ( -2.398 -6.724 0.000) 7.138 9.182 ( -9.802 8.915 0.000) 13.249 9.444 ( -11.342 -3.192 0.000) 11.783 9.866 ( 12.091 0.155 0.000) 12.092 9.889 ( 13.221 -0.721 0.000) 13.240 10.157 ( -1.642 0.405 0.000) 1.692 10.208 ( -1.321 -2.281 0.000) 2.636 10.420 ( 13.490 4.496 0.000) 14.219 10.589 ( 13.164 -2.573 0.000) 13.413 10.859 ( 29.369 -0.034 0.000) 29.369 10.877 ( 25.307 -1.037 0.000) 25.328 11.130 ( -5.801 2.757 0.000) 6.423 11.200 ( -5.287 -0.252 0.000) 5.293 12.663 ( -25.609 0.001 0.000) 25.609 12.665 ( -25.814 -0.072 0.000) 25.814 15.332 ( 25.078 22.184 0.000) 33.482 16.135 ( -7.189 -1.116 0.000) 7.275 16.774 ( 21.149 -3.244 0.000) 21.397 17.667 ( -1.266 -53.673 0.000) 53.688 21.007 ( 0.220 12.843 0.000) 12.845 21.166 ( -4.301 1.285 0.000) 4.489 22.265 ( 0.154 22.834 0.000) 22.835 22.473 ( 7.994 -2.762 0.000) 8.458 22.475 ( 11.322 2.010 0.000) 11.499 22.785 ( -9.044 2.419 0.000) 9.362 22.884 ( -6.218 -1.338 0.000) 6.361 23.158 ( -17.349 -9.424 0.000) 19.743 ======================= Grid point 13 (10/75) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 9.182 -3.878 0.000) 9.968 1.571 ( -10.466 -10.638 0.000) 14.923 1.889 ( 4.815 9.023 0.000) 10.227 1.990 ( -3.297 5.013 0.000) 6.000 2.195 ( 16.389 5.167 0.000) 17.184 2.420 ( -2.503 1.939 0.000) 3.167 2.549 ( 11.260 -5.737 0.000) 12.637 2.595 ( 5.365 -3.097 0.000) 6.195 2.751 ( 5.446 -0.062 0.000) 5.446 2.908 ( -3.614 1.775 0.000) 4.027 2.969 ( 0.031 1.774 0.000) 1.774 3.010 ( -8.219 -7.091 0.000) 10.856 3.516 ( 18.135 1.533 0.000) 18.200 3.667 ( 10.409 -4.713 0.000) 11.426 3.903 ( -10.417 2.603 0.000) 10.737 3.957 ( 6.261 3.998 0.000) 7.428 3.970 ( -9.745 1.393 0.000) 9.845 4.029 ( 3.002 5.285 0.000) 6.078 4.126 ( 1.540 -0.291 0.000) 1.567 4.167 ( -0.531 -2.451 0.000) 2.507 4.208 ( -8.742 -0.319 0.000) 8.748 4.264 ( -5.440 3.672 0.000) 6.563 4.343 ( 1.819 4.703 0.000) 5.043 4.437 ( 3.984 3.615 0.000) 5.380 4.455 ( -6.053 2.415 0.000) 6.517 4.563 ( -8.256 2.799 0.000) 8.717 4.668 ( -0.521 -0.095 0.000) 0.529 4.697 ( -1.464 -4.795 0.000) 5.013 4.733 ( 1.983 -0.104 0.000) 1.986 4.868 ( -10.344 -2.274 0.000) 10.591 4.998 ( -0.171 -10.110 0.000) 10.111 5.061 ( -7.611 -9.865 0.000) 12.460 5.340 ( 3.103 3.336 0.000) 4.556 5.454 ( -7.840 3.584 0.000) 8.620 5.480 ( 6.306 -0.671 0.000) 6.342 5.627 ( -8.076 -1.473 0.000) 8.209 6.018 ( 1.069 -4.072 0.000) 4.210 6.033 ( -0.374 -4.482 0.000) 4.498 6.373 ( 1.723 6.004 0.000) 6.247 6.409 ( -2.090 6.974 0.000) 7.280 6.452 ( 3.101 -0.840 0.000) 3.213 6.504 ( -2.139 -0.322 0.000) 2.164 6.725 ( 2.815 -1.018 0.000) 2.993 6.774 ( -2.308 -2.622 0.000) 3.493 7.379 ( 2.592 1.872 0.000) 3.197 7.413 ( -0.918 1.356 0.000) 1.638 7.480 ( 1.055 -1.910 0.000) 2.182 7.486 ( 0.276 -1.280 0.000) 1.309 7.992 ( 7.512 3.681 0.000) 8.366 8.092 ( -0.637 1.641 0.000) 1.761 8.196 ( 1.831 2.739 0.000) 3.295 8.202 ( 6.089 1.471 0.000) 6.264 8.229 ( 0.162 2.561 0.000) 2.566 8.367 ( -7.784 -3.628 0.000) 8.588 8.449 ( 4.946 -6.784 0.000) 8.395 8.551 ( -5.600 -9.383 0.000) 10.927 8.752 ( 9.571 5.799 0.000) 11.191 8.877 ( 13.977 -0.196 0.000) 13.979 8.981 ( -8.835 7.541 0.000) 11.615 9.196 ( -14.700 -2.375 0.000) 14.891 10.023 ( 5.110 -0.511 0.000) 5.136 10.048 ( 3.933 -1.885 0.000) 4.361 10.127 ( -0.875 0.755 0.000) 1.156 10.160 ( -2.968 -1.120 0.000) 3.172 10.688 ( 13.314 2.152 0.000) 13.487 10.799 ( 7.027 -3.200 0.000) 7.721 10.991 ( -5.957 4.033 0.000) 7.194 11.065 ( -8.446 0.211 0.000) 8.449 11.473 ( 34.239 -0.053 0.000) 34.239 11.480 ( 34.436 -0.299 0.000) 34.438 12.113 ( -32.094 0.023 0.000) 32.094 12.116 ( -31.782 -0.103 0.000) 31.782 15.715 ( 16.108 15.502 0.000) 22.356 15.966 ( -10.846 7.410 0.000) 13.136 17.167 ( 19.815 -12.949 0.000) 23.671 17.499 ( -14.474 -29.187 0.000) 32.579 21.029 ( 2.179 10.085 0.000) 10.318 21.087 ( -3.808 5.532 0.000) 6.715 22.364 ( 8.977 9.451 0.000) 13.035 22.550 ( -7.064 1.600 0.000) 7.243 22.651 ( 2.557 -0.330 0.000) 2.578 22.679 ( 9.847 -2.713 0.000) 10.214 22.766 ( -5.805 -1.169 0.000) 5.922 22.888 ( -11.700 -6.116 0.000) 13.202 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 0.000 -15.858 0.000) 15.858 0.806 ( 0.000 15.858 0.000) 15.858 0.853 ( 0.000 -16.731 0.000) 16.731 0.853 ( 0.000 16.731 0.000) 16.731 1.676 ( 0.000 -33.193 0.000) 33.193 1.676 ( 0.000 33.193 0.000) 33.193 2.524 ( 0.000 -1.847 0.000) 1.847 2.524 ( 0.000 1.847 0.000) 1.847 2.648 ( 0.000 -14.194 0.000) 14.194 2.648 ( 0.000 14.194 0.000) 14.194 3.141 ( 0.000 -12.033 0.000) 12.033 3.141 ( 0.000 12.033 0.000) 12.033 3.346 ( 0.000 -9.422 0.000) 9.422 3.346 ( 0.000 9.422 0.000) 9.422 3.472 ( 0.000 -1.499 0.000) 1.499 3.472 ( 0.000 1.499 0.000) 1.499 4.041 ( 0.000 -1.506 0.000) 1.506 4.041 ( 0.000 1.506 0.000) 1.506 4.302 ( 0.000 -7.007 0.000) 7.007 4.302 ( 0.000 7.007 0.000) 7.007 4.373 ( 0.000 -0.102 0.000) 0.102 4.373 ( 0.000 0.102 0.000) 0.102 4.592 ( 0.000 -5.806 0.000) 5.806 4.592 ( 0.000 5.806 0.000) 5.806 4.793 ( 0.000 -1.352 0.000) 1.352 4.793 ( 0.000 1.352 0.000) 1.352 5.117 ( 0.000 -1.301 0.000) 1.301 5.117 ( 0.000 1.301 0.000) 1.301 5.123 ( 0.000 -9.907 0.000) 9.907 5.123 ( 0.000 9.907 0.000) 9.907 5.785 ( 0.000 -0.547 0.000) 0.547 5.785 ( 0.000 0.547 0.000) 0.547 5.851 ( 0.000 -1.528 0.000) 1.528 5.851 ( 0.000 1.528 0.000) 1.528 5.937 ( 0.000 -1.282 0.000) 1.282 5.937 ( 0.000 1.282 0.000) 1.282 6.325 ( 0.000 -0.048 0.000) 0.048 6.325 ( 0.000 0.048 0.000) 0.048 6.384 ( 0.000 -4.313 0.000) 4.313 6.384 ( 0.000 4.313 0.000) 4.313 6.664 ( 0.000 -3.693 0.000) 3.693 6.664 ( 0.000 3.693 0.000) 3.693 6.810 ( 0.000 -3.178 0.000) 3.178 6.810 ( 0.000 3.178 0.000) 3.178 6.829 ( 0.000 -1.691 0.000) 1.691 6.829 ( 0.000 1.691 0.000) 1.691 7.278 ( 0.000 -6.069 0.000) 6.069 7.278 ( 0.000 6.069 0.000) 6.069 7.631 ( 0.000 -1.352 0.000) 1.352 7.631 ( 0.000 1.352 0.000) 1.352 7.726 ( 0.000 -1.963 0.000) 1.963 7.726 ( 0.000 1.963 0.000) 1.963 8.020 ( 0.000 -0.397 0.000) 0.397 8.020 ( 0.000 0.397 0.000) 0.397 8.418 ( 0.000 -12.665 0.000) 12.665 8.418 ( 0.000 12.665 0.000) 12.665 8.781 ( 0.000 -1.453 0.000) 1.453 8.781 ( 0.000 1.453 0.000) 1.453 8.919 ( 0.000 -0.343 0.000) 0.343 8.919 ( 0.000 0.343 0.000) 0.343 9.526 ( 0.000 -2.504 0.000) 2.504 9.526 ( 0.000 2.504 0.000) 2.504 9.769 ( 0.000 -3.208 0.000) 3.208 9.769 ( 0.000 3.208 0.000) 3.208 10.260 ( 0.000 -1.714 0.000) 1.714 10.260 ( 0.000 1.714 0.000) 1.714 10.441 ( 0.000 -1.798 0.000) 1.798 10.441 ( 0.000 1.798 0.000) 1.798 11.245 ( 0.000 -0.775 0.000) 0.775 11.245 ( 0.000 0.775 0.000) 0.775 13.424 ( 0.000 -0.018 0.000) 0.018 13.424 ( 0.000 0.018 0.000) 0.018 13.676 ( 0.000 -0.286 0.000) 0.286 13.676 ( 0.000 0.286 0.000) 0.286 16.199 ( 0.000 -10.080 0.000) 10.080 16.199 ( 0.000 10.080 0.000) 10.080 21.164 ( 0.000 -8.342 0.000) 8.342 21.164 ( 0.000 8.342 0.000) 8.342 22.014 ( 0.000 -5.256 0.000) 5.256 22.014 ( 0.000 5.256 0.000) 5.256 23.081 ( 0.000 -1.205 0.000) 1.205 23.081 ( 0.000 1.205 0.000) 1.205 24.166 ( 0.000 -3.871 0.000) 3.871 24.166 ( 0.000 3.871 0.000) 3.871 ======================= Grid point 20 (12/75) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 20.648 -11.833 0.000) 23.799 1.027 ( 20.648 11.833 0.000) 23.799 1.055 ( 18.130 -12.900 0.000) 22.251 1.055 ( 18.130 12.900 0.000) 22.251 1.681 ( 0.406 -27.508 0.000) 27.511 1.681 ( 0.406 27.508 0.000) 27.511 2.489 ( -2.638 -0.056 0.000) 2.639 2.489 ( -2.638 0.056 0.000) 2.639 2.710 ( 6.063 -12.395 0.000) 13.798 2.710 ( 6.063 12.395 0.000) 13.798 3.046 ( -7.536 -11.023 0.000) 13.353 3.046 ( -7.536 11.023 0.000) 13.353 3.290 ( -2.641 -7.798 0.000) 8.233 3.290 ( -2.641 7.798 0.000) 8.233 3.603 ( 8.376 -0.035 0.000) 8.376 3.603 ( 8.376 0.035 0.000) 8.376 4.094 ( 5.154 -0.351 0.000) 5.166 4.094 ( 5.154 0.351 0.000) 5.166 4.279 ( -2.868 -8.285 0.000) 8.767 4.279 ( -2.868 8.285 0.000) 8.767 4.390 ( 1.488 -0.346 0.000) 1.527 4.390 ( 1.488 0.346 0.000) 1.527 4.591 ( -0.951 -3.519 0.000) 3.645 4.591 ( -0.951 3.519 0.000) 3.645 4.766 ( -2.902 -4.541 0.000) 5.389 4.766 ( -2.902 4.541 0.000) 5.389 4.984 ( -8.793 -5.136 0.000) 10.183 4.984 ( -8.793 5.136 0.000) 10.183 5.166 ( -0.581 -0.954 0.000) 1.117 5.166 ( -0.581 0.954 0.000) 1.117 5.620 ( -13.382 -1.436 0.000) 13.459 5.620 ( -13.382 1.436 0.000) 13.459 5.763 ( -9.483 -4.607 0.000) 10.543 5.763 ( -9.483 4.607 0.000) 10.543 5.938 ( -0.278 -0.981 0.000) 1.020 5.938 ( -0.278 0.981 0.000) 1.020 6.167 ( -16.479 -3.457 0.000) 16.838 6.167 ( -16.479 3.457 0.000) 16.838 6.331 ( 0.077 -1.405 0.000) 1.407 6.331 ( 0.077 1.405 0.000) 1.407 6.504 ( -1.128 -1.864 0.000) 2.178 6.504 ( -1.128 1.864 0.000) 2.178 6.772 ( -2.019 -4.007 0.000) 4.487 6.772 ( -2.019 4.007 0.000) 4.487 7.127 ( 17.048 -2.799 0.000) 17.276 7.127 ( 17.048 2.799 0.000) 17.276 7.357 ( 3.564 -4.927 0.000) 6.081 7.357 ( 3.564 4.927 0.000) 6.081 7.590 ( -1.223 -0.488 0.000) 1.316 7.590 ( -1.223 0.488 0.000) 1.316 7.879 ( 9.848 -2.148 0.000) 10.080 7.879 ( 9.848 2.148 0.000) 10.080 8.050 ( 3.387 -0.960 0.000) 3.521 8.050 ( 3.387 0.960 0.000) 3.521 8.454 ( 2.826 -9.258 0.000) 9.680 8.454 ( 2.826 9.258 0.000) 9.680 8.758 ( -2.389 -0.268 0.000) 2.404 8.758 ( -2.389 0.268 0.000) 2.404 9.111 ( 17.262 -0.999 0.000) 17.291 9.111 ( 17.262 0.999 0.000) 17.291 9.646 ( 1.070 -7.583 0.000) 7.658 9.646 ( 1.070 7.583 0.000) 7.658 9.850 ( 13.954 -4.398 0.000) 14.631 9.850 ( 13.954 4.398 0.000) 14.631 10.261 ( 0.232 -0.182 0.000) 0.294 10.261 ( 0.232 0.182 0.000) 0.294 10.441 ( 0.677 -2.839 0.000) 2.918 10.441 ( 0.677 2.839 0.000) 2.918 11.253 ( 0.479 -0.958 0.000) 1.071 11.253 ( 0.479 0.958 0.000) 1.071 13.335 ( -9.225 -0.075 0.000) 9.226 13.335 ( -9.225 0.075 0.000) 9.226 14.460 ( 64.852 -35.231 0.000) 73.804 14.460 ( 64.852 35.231 0.000) 73.804 16.264 ( 7.169 -8.320 0.000) 10.982 16.264 ( 7.169 8.320 0.000) 10.982 21.164 ( 0.055 -7.560 0.000) 7.561 21.164 ( 0.055 7.560 0.000) 7.561 22.084 ( 6.982 -4.248 0.000) 8.173 22.084 ( 6.982 4.248 0.000) 8.173 23.049 ( -3.249 -1.241 0.000) 3.478 23.049 ( -3.249 1.241 0.000) 3.478 23.822 ( -30.533 -10.403 0.000) 32.256 23.822 ( -30.533 10.403 0.000) 32.256 ======================= Grid point 22 (13/75) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 12.176 -18.008 0.000) 21.738 1.387 ( 12.176 18.008 0.000) 21.738 1.483 ( 25.410 -10.501 0.000) 27.494 1.483 ( 25.410 10.501 0.000) 27.494 1.712 ( 5.607 -8.717 0.000) 10.364 1.712 ( 5.607 8.717 0.000) 10.364 2.455 ( -0.591 -6.385 0.000) 6.412 2.455 ( -0.591 6.385 0.000) 6.412 2.852 ( 7.734 -4.975 0.000) 9.196 2.852 ( 7.734 4.975 0.000) 9.196 2.945 ( -2.087 -5.284 0.000) 5.681 2.945 ( -2.087 5.284 0.000) 5.681 3.245 ( -1.504 -4.786 0.000) 5.017 3.245 ( -1.504 4.786 0.000) 5.017 3.745 ( 6.926 -0.306 0.000) 6.933 3.745 ( 6.926 0.306 0.000) 6.933 4.169 ( -2.256 -3.856 0.000) 4.467 4.169 ( -2.256 3.856 0.000) 4.467 4.240 ( 3.863 -5.411 0.000) 6.648 4.240 ( 3.863 5.411 0.000) 6.648 4.397 ( -2.664 -0.071 0.000) 2.665 4.397 ( -2.664 0.071 0.000) 2.665 4.550 ( -1.935 -0.572 0.000) 2.018 4.550 ( -1.935 0.572 0.000) 2.018 4.692 ( -4.476 -8.636 0.000) 9.727 4.692 ( -4.476 8.636 0.000) 9.727 4.795 ( -11.278 -4.053 0.000) 11.984 4.795 ( -11.278 4.053 0.000) 11.984 5.087 ( -7.494 -3.262 0.000) 8.173 5.087 ( -7.494 3.262 0.000) 8.173 5.413 ( -6.901 -0.504 0.000) 6.920 5.413 ( -6.901 0.504 0.000) 6.920 5.505 ( -16.606 -7.294 0.000) 18.138 5.505 ( -16.606 7.294 0.000) 18.138 5.898 ( -8.249 -3.743 0.000) 9.058 5.898 ( -8.249 3.743 0.000) 9.058 5.954 ( -1.860 -0.645 0.000) 1.969 5.954 ( -1.860 0.645 0.000) 1.969 6.358 ( 2.113 -0.464 0.000) 2.163 6.358 ( 2.113 0.464 0.000) 2.163 6.525 ( 1.671 -0.388 0.000) 1.715 6.525 ( 1.671 0.388 0.000) 1.715 6.729 ( -2.203 -5.086 0.000) 5.543 6.729 ( -2.203 5.086 0.000) 5.543 7.308 ( 3.731 -1.920 0.000) 4.196 7.308 ( 3.731 1.920 0.000) 4.196 7.456 ( 2.605 -0.438 0.000) 2.641 7.456 ( 2.605 0.438 0.000) 2.641 7.658 ( 11.148 -0.188 0.000) 11.149 7.658 ( 11.148 0.188 0.000) 11.149 8.061 ( 9.333 -1.951 0.000) 9.535 8.061 ( 9.333 1.951 0.000) 9.535 8.144 ( 6.482 -2.581 0.000) 6.977 8.144 ( 6.482 2.581 0.000) 6.977 8.479 ( -0.474 -8.660 0.000) 8.673 8.479 ( -0.474 8.660 0.000) 8.673 8.699 ( -3.563 -0.105 0.000) 3.565 8.699 ( -3.563 0.105 0.000) 3.565 9.444 ( 8.581 -4.710 0.000) 9.789 9.444 ( 8.581 4.710 0.000) 9.789 9.616 ( 5.343 -1.877 0.000) 5.663 9.616 ( 5.343 1.877 0.000) 5.663 10.132 ( 9.811 -2.977 0.000) 10.253 10.132 ( 9.811 2.977 0.000) 10.253 10.297 ( 6.571 -0.455 0.000) 6.587 10.297 ( 6.571 0.455 0.000) 6.587 10.512 ( 8.822 -3.404 0.000) 9.456 10.512 ( 8.822 3.404 0.000) 9.456 11.246 ( -1.664 -1.436 0.000) 2.198 11.246 ( -1.664 1.436 0.000) 2.198 13.077 ( -17.872 -0.095 0.000) 17.872 13.077 ( -17.872 0.095 0.000) 17.872 15.494 ( 37.178 -49.076 0.000) 61.569 15.494 ( 37.178 49.076 0.000) 61.569 16.494 ( 17.235 -10.845 0.000) 20.363 16.494 ( 17.235 10.845 0.000) 20.363 21.165 ( -0.093 -5.412 0.000) 5.413 21.165 ( -0.093 5.412 0.000) 5.413 22.250 ( 9.821 -2.283 0.000) 10.083 22.250 ( 9.821 2.283 0.000) 10.083 22.965 ( -5.512 -1.507 0.000) 5.714 22.965 ( -5.512 1.507 0.000) 5.714 23.235 ( -27.783 -23.451 0.000) 36.357 23.235 ( -27.783 23.451 0.000) 36.357 ======================= Grid point 24 (14/75) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -2.455 -14.989 0.000) 15.189 1.440 ( -2.455 14.989 0.000) 15.189 1.887 ( 12.774 -0.340 0.000) 12.779 1.887 ( 12.774 0.340 0.000) 12.779 1.975 ( 21.224 -7.379 0.000) 22.470 1.975 ( 21.224 7.379 0.000) 22.470 2.474 ( 2.819 -6.170 0.000) 6.784 2.474 ( 2.819 6.170 0.000) 6.784 2.914 ( -3.298 -5.353 0.000) 6.288 2.914 ( -3.298 5.353 0.000) 6.288 2.959 ( 2.816 -2.154 0.000) 3.546 2.959 ( 2.816 2.154 0.000) 3.546 3.312 ( 10.184 -4.713 0.000) 11.221 3.312 ( 10.184 4.713 0.000) 11.221 3.879 ( 7.168 -1.123 0.000) 7.255 3.879 ( 7.168 1.123 0.000) 7.255 4.102 ( -2.384 -1.906 0.000) 3.053 4.102 ( -2.384 1.906 0.000) 3.053 4.261 ( -10.325 -0.353 0.000) 10.331 4.261 ( -10.325 0.353 0.000) 10.331 4.346 ( 5.252 -4.769 0.000) 7.094 4.346 ( 5.252 4.769 0.000) 7.094 4.494 ( -10.193 -3.725 0.000) 10.852 4.494 ( -10.193 3.725 0.000) 10.852 4.593 ( -3.037 -3.313 0.000) 4.495 4.593 ( -3.037 3.313 0.000) 4.495 4.626 ( -3.145 -9.331 0.000) 9.847 4.626 ( -3.145 9.331 0.000) 9.847 4.942 ( -6.469 -3.075 0.000) 7.163 4.942 ( -6.469 3.075 0.000) 7.163 5.153 ( -18.551 -8.399 0.000) 20.364 5.153 ( -18.551 8.399 0.000) 20.364 5.369 ( 0.318 -1.758 0.000) 1.787 5.369 ( 0.318 1.758 0.000) 1.787 5.724 ( -9.263 -4.347 0.000) 10.232 5.724 ( -9.263 4.347 0.000) 10.232 5.960 ( 0.903 -0.800 0.000) 1.206 5.960 ( 0.903 0.800 0.000) 1.206 6.397 ( 1.827 -0.337 0.000) 1.858 6.397 ( 1.827 0.337 0.000) 1.858 6.540 ( -0.184 -0.502 0.000) 0.534 6.540 ( -0.184 0.502 0.000) 0.534 6.706 ( -0.099 -4.408 0.000) 4.409 6.706 ( -0.099 4.408 0.000) 4.409 7.376 ( 3.622 -2.841 0.000) 4.603 7.376 ( 3.622 2.841 0.000) 4.603 7.456 ( -0.661 -1.212 0.000) 1.381 7.456 ( -0.661 1.212 0.000) 1.381 7.892 ( 11.330 -2.426 0.000) 11.587 7.892 ( 11.330 2.426 0.000) 11.587 8.190 ( 4.636 -1.891 0.000) 5.006 8.190 ( 4.636 1.891 0.000) 5.006 8.291 ( 5.800 -5.989 0.000) 8.337 8.291 ( 5.800 5.989 0.000) 8.337 8.444 ( -2.858 -7.988 0.000) 8.484 8.444 ( -2.858 7.988 0.000) 8.484 8.668 ( 2.831 -0.446 0.000) 2.866 8.668 ( 2.831 0.446 0.000) 2.866 9.344 ( -10.444 -6.444 0.000) 12.272 9.344 ( -10.444 6.444 0.000) 12.272 9.874 ( 12.089 -0.631 0.000) 12.106 9.874 ( 12.089 0.631 0.000) 12.106 10.172 ( -1.300 -1.140 0.000) 1.729 10.172 ( -1.300 1.140 0.000) 1.729 10.516 ( 12.636 -4.347 0.000) 13.363 10.516 ( 12.636 4.347 0.000) 13.363 10.862 ( 27.802 -0.364 0.000) 27.804 10.862 ( 27.802 0.364 0.000) 27.804 11.181 ( -5.273 -1.763 0.000) 5.560 11.181 ( -5.273 1.763 0.000) 5.560 12.663 ( -25.717 -0.046 0.000) 25.717 12.663 ( -25.717 0.046 0.000) 25.717 15.908 ( 11.119 -25.719 0.000) 28.020 15.908 ( 11.119 25.719 0.000) 28.020 16.833 ( 15.435 -16.979 0.000) 22.946 16.833 ( 15.435 16.979 0.000) 22.946 21.160 ( -0.337 -2.849 0.000) 2.869 21.160 ( -0.337 2.849 0.000) 2.869 22.430 ( 8.681 -1.206 0.000) 8.764 22.430 ( 8.681 1.206 0.000) 8.764 22.808 ( -13.792 -10.212 0.000) 17.161 22.808 ( -13.792 10.212 0.000) 17.161 22.871 ( -7.640 -8.687 0.000) 11.569 22.871 ( -7.640 8.687 0.000) 11.569 ======================= Grid point 26 (15/75) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -1.424 -5.175 0.000) 5.367 1.395 ( -1.424 5.175 0.000) 5.367 2.018 ( 2.477 -2.633 0.000) 3.615 2.018 ( 2.477 2.633 0.000) 3.615 2.344 ( 15.430 -8.199 0.000) 17.473 2.344 ( 15.430 8.199 0.000) 17.473 2.534 ( 0.899 -2.995 0.000) 3.127 2.534 ( 0.899 2.995 0.000) 3.127 2.789 ( -6.884 -5.681 0.000) 8.926 2.789 ( -6.884 5.681 0.000) 8.926 3.002 ( 1.159 -0.050 0.000) 1.160 3.002 ( 1.159 0.050 0.000) 1.160 3.573 ( 14.520 -3.962 0.000) 15.051 3.573 ( 14.520 3.962 0.000) 15.051 3.944 ( -6.428 -1.578 0.000) 6.619 3.944 ( -6.428 1.578 0.000) 6.619 4.049 ( -2.214 -2.575 0.000) 3.396 4.049 ( -2.214 2.575 0.000) 3.396 4.127 ( -0.076 -0.884 0.000) 0.888 4.127 ( -0.076 0.884 0.000) 0.888 4.298 ( -5.245 -3.816 0.000) 6.486 4.298 ( -5.245 3.816 0.000) 6.486 4.417 ( 1.415 -2.052 0.000) 2.493 4.417 ( 1.415 2.052 0.000) 2.493 4.572 ( 1.089 -9.875 0.000) 9.935 4.572 ( 1.089 9.875 0.000) 9.935 4.623 ( 0.614 -2.283 0.000) 2.364 4.623 ( 0.614 2.283 0.000) 2.364 4.838 ( -11.437 -3.479 0.000) 11.955 4.838 ( -11.437 3.479 0.000) 11.955 4.855 ( -3.598 -4.225 0.000) 5.549 4.855 ( -3.598 4.225 0.000) 5.549 5.423 ( 5.047 -3.918 0.000) 6.389 5.423 ( 5.047 3.918 0.000) 6.389 5.555 ( -8.153 -4.857 0.000) 9.490 5.555 ( -8.153 4.857 0.000) 9.490 5.975 ( 0.482 -0.430 0.000) 0.646 5.975 ( 0.482 0.430 0.000) 0.646 6.422 ( 0.673 -0.361 0.000) 0.764 6.422 ( 0.673 0.361 0.000) 0.764 6.530 ( -0.451 -0.688 0.000) 0.822 6.530 ( -0.451 0.688 0.000) 0.822 6.713 ( 0.431 -1.558 0.000) 1.617 6.713 ( 0.431 1.558 0.000) 1.617 7.426 ( 1.066 -2.168 0.000) 2.416 7.426 ( 1.066 2.168 0.000) 2.416 7.453 ( 0.429 -1.459 0.000) 1.521 7.453 ( 0.429 1.459 0.000) 1.521 8.073 ( 7.308 -3.313 0.000) 8.024 8.073 ( 7.308 3.313 0.000) 8.024 8.253 ( 0.840 -0.978 0.000) 1.290 8.253 ( 0.840 0.978 0.000) 1.290 8.287 ( -2.756 -1.350 0.000) 3.069 8.287 ( -2.756 1.350 0.000) 3.069 8.388 ( -2.353 -4.476 0.000) 5.057 8.388 ( -2.353 4.476 0.000) 5.057 8.844 ( 13.160 -2.971 0.000) 13.491 8.844 ( 13.160 2.971 0.000) 13.491 9.118 ( -12.946 -5.272 0.000) 13.979 9.118 ( -12.946 5.272 0.000) 13.979 10.022 ( 4.062 -0.552 0.000) 4.099 10.022 ( 4.062 0.552 0.000) 4.099 10.140 ( -1.581 -0.715 0.000) 1.735 10.140 ( -1.581 0.715 0.000) 1.735 10.740 ( 9.609 -2.659 0.000) 9.970 10.740 ( 9.609 2.659 0.000) 9.970 11.053 ( -6.756 -1.735 0.000) 6.975 11.053 ( -6.756 1.735 0.000) 6.975 11.474 ( 34.371 -0.178 0.000) 34.371 11.474 ( 34.371 0.178 0.000) 34.371 12.114 ( -31.921 -0.098 0.000) 31.921 12.114 ( -31.921 0.098 0.000) 31.921 16.026 ( 2.672 -7.478 0.000) 7.941 16.026 ( 2.672 7.478 0.000) 7.941 17.026 ( 4.975 -7.462 0.000) 8.969 17.026 ( 4.975 7.462 0.000) 8.969 21.154 ( -0.207 -0.826 0.000) 0.851 21.154 ( -0.207 0.826 0.000) 0.851 22.565 ( 4.970 -5.009 0.000) 7.056 22.565 ( 4.970 5.009 0.000) 7.056 22.627 ( -4.687 -0.194 0.000) 4.691 22.627 ( -4.687 0.194 0.000) 4.691 22.763 ( -4.132 -2.742 0.000) 4.958 22.763 ( -4.132 2.742 0.000) 4.958 ======================= Grid point 45 (16/75) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 0.000 0.000 20.525) 20.525 0.611 ( 0.000 0.000 31.185) 31.185 0.793 ( 0.000 0.000 40.623) 40.623 1.335 ( 0.000 0.000 17.202) 17.202 1.393 ( 0.000 0.000 16.198) 16.198 2.049 ( 0.000 0.000 -16.198) 16.198 2.415 ( 0.000 0.000 -7.646) 7.646 2.598 ( 0.000 0.000 8.497) 8.497 2.705 ( 0.000 0.000 0.315) 0.315 2.775 ( 0.000 0.000 -24.649) 24.649 2.927 ( 0.000 0.000 8.463) 8.463 3.090 ( 0.000 0.000 7.738) 7.738 3.518 ( 0.000 0.000 9.283) 9.283 3.626 ( 0.000 0.000 -2.836) 2.836 3.645 ( 0.000 0.000 0.791) 0.791 3.806 ( 0.000 0.000 -3.492) 3.492 3.833 ( 0.000 0.000 17.785) 17.785 3.990 ( 0.000 0.000 2.801) 2.801 4.279 ( 0.000 0.000 -5.990) 5.990 4.288 ( 0.000 0.000 -3.222) 3.222 4.303 ( 0.000 0.000 -6.866) 6.866 4.330 ( 0.000 0.000 -3.016) 3.016 4.493 ( 0.000 0.000 4.791) 4.791 4.677 ( 0.000 0.000 -4.094) 4.094 4.701 ( 0.000 0.000 -0.922) 0.922 4.757 ( 0.000 0.000 -2.922) 2.922 4.931 ( 0.000 0.000 2.440) 2.440 5.200 ( 0.000 0.000 1.313) 1.313 5.238 ( 0.000 0.000 0.001) 0.001 5.456 ( 0.000 0.000 -0.263) 0.263 5.534 ( 0.000 0.000 -3.663) 3.663 5.769 ( 0.000 0.000 -6.686) 6.686 5.815 ( 0.000 0.000 -8.428) 8.428 5.984 ( 0.000 0.000 -3.063) 3.063 6.003 ( 0.000 0.000 -1.972) 1.972 6.039 ( 0.000 0.000 -5.140) 5.140 6.082 ( 0.000 0.000 3.838) 3.838 6.128 ( 0.000 0.000 1.251) 1.251 6.129 ( 0.000 0.000 9.281) 9.281 6.210 ( 0.000 0.000 2.163) 2.163 6.476 ( 0.000 0.000 4.460) 4.460 6.642 ( 0.000 0.000 -11.230) 11.230 6.689 ( 0.000 0.000 -6.053) 6.053 6.759 ( 0.000 0.000 -10.086) 10.086 6.823 ( 0.000 0.000 -3.559) 3.559 6.996 ( 0.000 0.000 6.324) 6.324 7.218 ( 0.000 0.000 5.114) 5.114 7.461 ( 0.000 0.000 -10.290) 10.290 7.511 ( 0.000 0.000 2.697) 2.697 7.589 ( 0.000 0.000 -0.431) 0.431 7.729 ( 0.000 0.000 6.460) 6.460 7.869 ( 0.000 0.000 9.291) 9.291 8.076 ( 0.000 0.000 -1.910) 1.910 8.243 ( 0.000 0.000 16.527) 16.527 8.608 ( 0.000 0.000 2.498) 2.498 8.757 ( 0.000 0.000 4.268) 4.268 8.775 ( 0.000 0.000 -3.588) 3.588 8.839 ( 0.000 0.000 3.105) 3.105 9.117 ( 0.000 0.000 17.050) 17.050 9.244 ( 0.000 0.000 21.116) 21.116 9.295 ( 0.000 0.000 -6.324) 6.324 9.538 ( 0.000 0.000 -11.667) 11.667 9.643 ( 0.000 0.000 5.881) 5.881 9.952 ( 0.000 0.000 6.309) 6.309 10.215 ( 0.000 0.000 2.352) 2.352 10.238 ( 0.000 0.000 3.592) 3.592 10.398 ( 0.000 0.000 0.098) 0.098 10.511 ( 0.000 0.000 1.900) 1.900 11.177 ( 0.000 0.000 -4.112) 4.112 11.221 ( 0.000 0.000 -3.731) 3.731 13.582 ( 0.000 0.000 -8.982) 8.982 13.598 ( 0.000 0.000 -9.000) 9.000 13.720 ( 0.000 0.000 28.665) 28.665 15.929 ( 0.000 0.000 -2.123) 2.123 16.590 ( 0.000 0.000 11.172) 11.172 19.795 ( 0.000 0.000 -15.300) 15.300 20.595 ( 0.000 0.000 0.925) 0.925 20.920 ( 0.000 0.000 -1.365) 1.365 21.460 ( 0.000 0.000 8.673) 8.673 21.966 ( 0.000 0.000 8.197) 8.197 22.202 ( 0.000 0.000 4.368) 4.368 23.016 ( 0.000 0.000 -3.163) 3.163 23.078 ( 0.000 0.000 -3.388) 3.388 23.944 ( 0.000 0.000 -13.678) 13.678 ======================= Grid point 46 (17/75) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 14.595 0.000 14.546) 20.605 0.582 ( 15.898 0.000 14.921) 21.803 1.262 ( 3.424 0.000 4.563) 5.705 1.275 ( 32.075 0.000 31.362) 44.860 1.709 ( 21.452 0.000 20.446) 29.635 2.128 ( 7.266 0.000 -14.698) 16.396 2.332 ( -6.596 0.000 -6.991) 9.611 2.556 ( -4.424 0.000 8.566) 9.641 2.715 ( 1.627 0.000 -2.272) 2.794 2.797 ( -15.839 0.000 14.197) 21.270 2.833 ( 5.643 0.000 -21.614) 22.338 2.998 ( -2.723 0.000 1.810) 3.270 3.531 ( -8.443 0.000 -0.866) 8.487 3.616 ( -3.119 0.000 0.815) 3.224 3.617 ( 5.850 0.000 6.069) 8.430 3.825 ( 1.187 0.000 -2.425) 2.700 3.847 ( 1.564 0.000 15.256) 15.336 4.013 ( -1.469 0.000 -0.999) 1.777 4.136 ( 2.149 0.000 3.316) 3.952 4.308 ( 0.341 0.000 -1.320) 1.364 4.311 ( 0.404 0.000 -6.777) 6.789 4.355 ( 2.357 0.000 -3.007) 3.820 4.509 ( -2.629 0.000 1.618) 3.087 4.625 ( -5.468 0.000 -2.251) 5.913 4.688 ( -6.491 0.000 -4.104) 7.679 4.747 ( 1.432 0.000 -1.233) 1.890 4.876 ( -5.055 0.000 1.414) 5.249 5.177 ( -4.152 0.000 0.872) 4.243 5.239 ( 1.847 0.000 0.796) 2.011 5.381 ( -8.216 0.000 -0.827) 8.258 5.510 ( -5.567 0.000 -3.556) 6.605 5.559 ( -14.077 0.000 -7.037) 15.738 5.716 ( -8.556 0.000 -8.927) 12.366 5.873 ( -12.362 0.000 1.723) 12.481 5.904 ( -5.296 0.000 -3.076) 6.125 5.992 ( -6.655 0.000 9.058) 11.240 6.086 ( 0.757 0.000 2.503) 2.615 6.168 ( 5.984 0.000 -3.367) 6.866 6.218 ( -0.824 0.000 7.252) 7.299 6.229 ( 6.097 0.000 0.352) 6.107 6.484 ( 0.738 0.000 2.977) 3.067 6.576 ( -7.982 0.000 0.539) 8.000 6.671 ( -1.065 0.000 -3.513) 3.671 6.835 ( 14.481 0.000 -13.911) 20.080 6.958 ( -1.812 0.000 5.696) 5.977 7.105 ( 17.072 0.000 -11.942) 20.834 7.266 ( 3.828 0.000 3.836) 5.419 7.459 ( -0.542 0.000 -4.016) 4.052 7.534 ( 2.736 0.000 -1.384) 3.066 7.552 ( 3.056 0.000 -0.601) 3.115 7.910 ( 3.706 0.000 4.022) 5.469 7.920 ( 5.307 0.000 -2.515) 5.873 7.987 ( 0.093 0.000 3.792) 3.793 8.181 ( -2.729 0.000 14.179) 14.439 8.472 ( -8.740 0.000 7.617) 11.593 8.712 ( -2.198 0.000 -1.879) 2.892 8.719 ( -1.010 0.000 -1.990) 2.232 8.838 ( 3.578 0.000 5.945) 6.939 9.308 ( 0.163 0.000 4.407) 4.410 9.312 ( 14.504 0.000 7.921) 16.526 9.388 ( 8.992 0.000 15.534) 17.949 9.610 ( 7.523 0.000 -7.761) 10.809 9.929 ( -0.120 0.000 5.666) 5.667 9.974 ( 19.254 0.000 -8.845) 21.189 10.241 ( 0.358 0.000 3.556) 3.574 10.289 ( 7.443 0.000 6.114) 9.632 10.376 ( -2.115 0.000 0.660) 2.216 10.539 ( 3.405 0.000 2.818) 4.420 11.181 ( 0.158 0.000 -3.373) 3.377 11.247 ( 1.845 0.000 -2.552) 3.149 13.486 ( -9.619 0.000 8.808) 13.042 13.533 ( -7.000 0.000 5.189) 8.713 13.986 ( 24.216 0.000 9.280) 25.933 16.039 ( 11.291 0.000 -2.708) 11.611 16.544 ( -4.792 0.000 10.607) 11.639 19.305 ( -29.326 0.000 -5.176) 29.779 20.618 ( 2.432 0.000 1.120) 2.678 21.293 ( 19.750 0.000 -14.930) 24.758 21.426 ( -3.462 0.000 8.311) 9.004 22.048 ( 8.112 0.000 6.009) 10.096 22.251 ( 4.962 0.000 3.667) 6.170 22.980 ( -3.722 0.000 -3.241) 4.936 23.049 ( -2.941 0.000 -3.378) 4.479 23.812 ( -12.597 0.000 -11.686) 17.183 ======================= Grid point 47 (18/75) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 18.212 0.000 10.829) 21.188 1.018 ( 27.104 0.000 -5.528) 27.662 1.461 ( 15.702 0.000 -8.041) 17.641 1.866 ( 27.721 0.000 24.234) 36.820 2.135 ( 22.683 0.000 18.848) 29.492 2.164 ( -6.980 0.000 -5.896) 9.137 2.241 ( -3.803 0.000 -1.529) 4.099 2.442 ( -7.117 0.000 8.536) 11.114 2.567 ( -1.586 0.000 0.642) 1.711 2.778 ( 4.881 0.000 -4.308) 6.510 2.955 ( -1.681 0.000 4.065) 4.399 2.975 ( 9.167 0.000 -18.993) 21.089 3.343 ( -10.520 0.000 -0.166) 10.521 3.529 ( -6.009 0.000 -1.025) 6.096 3.705 ( 4.092 0.000 1.725) 4.441 3.844 ( 0.969 0.000 -1.754) 2.004 3.895 ( 3.562 0.000 12.573) 13.067 3.999 ( 0.644 0.000 -8.825) 8.848 4.201 ( -0.691 0.000 -1.550) 1.697 4.282 ( -4.942 0.000 -8.595) 9.915 4.325 ( 0.716 0.000 1.931) 2.060 4.395 ( -0.298 0.000 -2.649) 2.666 4.456 ( -0.346 0.000 6.697) 6.706 4.501 ( -4.264 0.000 -1.060) 4.394 4.553 ( -6.934 0.000 -3.082) 7.588 4.748 ( -0.544 0.000 -0.616) 0.822 4.772 ( -5.382 0.000 -1.775) 5.667 5.068 ( -8.492 0.000 1.119) 8.565 5.099 ( -19.019 0.000 -2.122) 19.137 5.253 ( -1.371 0.000 0.278) 1.399 5.321 ( -10.197 0.000 0.157) 10.198 5.400 ( -3.787 0.000 -2.128) 4.344 5.516 ( -11.687 0.000 -10.288) 15.570 5.588 ( -16.180 0.000 5.810) 17.192 5.864 ( -0.838 0.000 2.484) 2.622 5.901 ( -4.082 0.000 7.346) 8.404 6.106 ( 0.634 0.000 1.955) 2.055 6.160 ( -3.984 0.000 10.786) 11.498 6.229 ( 1.457 0.000 -1.384) 2.010 6.324 ( 3.073 0.000 -0.101) 3.075 6.450 ( -2.659 0.000 0.828) 2.785 6.533 ( 1.533 0.000 3.897) 4.188 6.656 ( -0.008 0.000 -0.884) 0.884 6.919 ( -1.611 0.000 2.457) 2.938 7.095 ( 10.417 0.000 -10.552) 14.827 7.345 ( 4.374 0.000 1.167) 4.527 7.359 ( 6.734 0.000 -9.904) 11.976 7.470 ( 3.393 0.000 -0.575) 3.441 7.616 ( 6.477 0.000 -2.429) 6.917 7.684 ( 9.822 0.000 -0.897) 9.863 7.913 ( 2.498 0.000 -4.595) 5.230 7.977 ( 3.113 0.000 -3.099) 4.393 8.136 ( 7.171 0.000 0.490) 7.188 8.244 ( 9.590 0.000 8.800) 13.015 8.363 ( -3.339 0.000 1.302) 3.584 8.660 ( -3.402 0.000 -3.042) 4.564 8.676 ( -4.266 0.000 -0.797) 4.340 8.868 ( -1.150 0.000 0.679) 1.335 9.204 ( -8.396 0.000 -1.019) 8.458 9.483 ( 0.533 0.000 -7.083) 7.103 9.697 ( 18.956 0.000 14.772) 24.032 9.759 ( 9.307 0.000 7.898) 12.206 10.077 ( 14.948 0.000 2.718) 15.193 10.244 ( 0.043 0.000 5.943) 5.944 10.291 ( 15.945 0.000 -2.874) 16.202 10.330 ( -2.208 0.000 1.948) 2.944 10.525 ( 18.762 0.000 11.691) 22.106 10.665 ( 11.024 0.000 6.741) 12.922 11.170 ( -1.668 0.000 -1.544) 2.273 11.267 ( -0.102 0.000 -0.036) 0.108 13.232 ( -17.367 0.000 13.762) 22.159 13.303 ( -17.026 0.000 16.499) 23.708 14.536 ( 31.311 0.000 2.221) 31.390 16.337 ( 19.625 0.000 -4.256) 20.082 16.411 ( -9.213 0.000 9.051) 12.915 18.790 ( -26.622 0.000 -11.825) 29.130 20.685 ( 4.542 0.000 1.682) 4.844 21.335 ( -5.980 0.000 7.404) 9.517 21.607 ( 15.320 0.000 -9.717) 18.142 22.241 ( 11.526 0.000 2.030) 11.703 22.371 ( 7.213 0.000 1.863) 7.450 22.878 ( -7.031 0.000 -3.530) 7.867 22.972 ( -5.007 0.000 -3.326) 6.011 23.516 ( -17.498 0.000 -9.032) 19.692 ======================= Grid point 48 (19/75) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 16.914 0.000 9.120) 19.216 1.499 ( 21.687 0.000 -8.723) 23.376 1.757 ( 11.792 0.000 -10.261) 15.631 1.962 ( -6.445 0.000 8.921) 11.006 2.041 ( -7.653 0.000 -6.129) 9.804 2.328 ( -1.971 0.000 5.379) 5.729 2.428 ( 15.974 0.000 17.238) 23.501 2.538 ( 18.158 0.000 12.254) 21.906 2.598 ( 1.741 0.000 -8.645) 8.819 2.872 ( 4.201 0.000 -4.117) 5.882 3.004 ( 6.184 0.000 7.395) 9.640 3.175 ( 11.806 0.000 -17.310) 20.953 3.186 ( -2.824 0.000 -3.561) 4.544 3.397 ( -7.392 0.000 -1.861) 7.623 3.791 ( 4.929 0.000 -2.165) 5.384 3.858 ( -0.233 0.000 -4.164) 4.171 3.972 ( 2.896 0.000 9.793) 10.212 3.990 ( -2.776 0.000 -9.734) 10.122 4.103 ( -11.283 0.000 -14.614) 18.463 4.143 ( -2.520 0.000 -2.380) 3.466 4.302 ( -2.087 0.000 1.026) 2.326 4.317 ( -4.190 0.000 2.294) 4.776 4.436 ( -5.813 0.000 0.535) 5.838 4.478 ( 0.192 0.000 7.200) 7.203 4.533 ( 3.854 0.000 -3.622) 5.289 4.674 ( -5.798 0.000 -4.956) 7.628 4.746 ( 0.580 0.000 1.936) 2.021 4.752 ( -16.078 0.000 0.016) 16.078 4.841 ( -12.553 0.000 0.346) 12.558 5.159 ( -5.116 0.000 0.035) 5.117 5.226 ( -5.272 0.000 -2.193) 5.710 5.275 ( -16.528 0.000 7.002) 17.950 5.353 ( -2.480 0.000 0.655) 2.565 5.395 ( 3.391 0.000 1.015) 3.539 5.782 ( -8.396 0.000 11.018) 13.852 5.817 ( -5.231 0.000 7.460) 9.111 6.090 ( -0.078 0.000 3.419) 3.420 6.137 ( 0.093 0.000 4.384) 4.385 6.246 ( 0.623 0.000 -0.959) 1.143 6.336 ( -1.416 0.000 -0.360) 1.461 6.445 ( 1.713 0.000 1.688) 2.405 6.553 ( 0.225 0.000 2.503) 2.513 6.684 ( 2.825 0.000 0.828) 2.944 6.879 ( -2.679 0.000 2.059) 3.379 7.240 ( 5.768 0.000 -5.295) 7.830 7.406 ( 1.501 0.000 0.951) 1.777 7.414 ( 2.106 0.000 -4.707) 5.157 7.525 ( 0.909 0.000 1.294) 1.581 7.782 ( 9.637 0.000 -2.441) 9.941 7.902 ( 12.389 0.000 -5.437) 13.529 8.008 ( 6.329 0.000 -6.591) 9.137 8.029 ( 2.038 0.000 -5.003) 5.403 8.198 ( -0.756 0.000 -1.376) 1.569 8.377 ( 5.261 0.000 -1.435) 5.453 8.480 ( 11.449 0.000 -2.902) 11.811 8.565 ( -6.811 0.000 0.222) 6.814 8.610 ( 0.929 0.000 -2.088) 2.286 8.798 ( -5.348 0.000 -3.649) 6.474 9.016 ( -11.168 0.000 -1.986) 11.344 9.371 ( -9.961 0.000 -8.639) 13.185 9.960 ( 9.681 0.000 7.691) 12.364 9.994 ( 11.377 0.000 8.218) 14.034 10.217 ( -1.004 0.000 5.543) 5.633 10.279 ( -2.641 0.000 3.576) 4.445 10.402 ( 16.463 0.000 4.822) 17.155 10.597 ( 14.788 0.000 -1.072) 14.827 10.999 ( 21.178 0.000 9.829) 23.348 11.003 ( 27.800 0.000 14.102) 31.172 11.112 ( -1.956 0.000 2.759) 3.382 11.256 ( 2.379 0.000 7.020) 7.412 12.830 ( -25.007 0.000 16.146) 29.766 12.897 ( -25.661 0.000 20.782) 33.021 15.100 ( 27.265 0.000 0.385) 27.267 16.199 ( -13.100 0.000 6.800) 14.759 16.759 ( 24.422 0.000 -6.383) 25.242 18.279 ( -27.359 0.000 -12.706) 30.166 20.787 ( 6.195 0.000 2.556) 6.701 21.206 ( -7.423 0.000 6.216) 9.682 21.901 ( 15.833 0.000 -6.984) 17.305 22.462 ( 11.538 0.000 -1.143) 11.595 22.509 ( 7.087 0.000 -0.210) 7.090 22.714 ( -10.288 0.000 -4.090) 11.072 22.867 ( -5.900 0.000 -3.159) 6.693 23.188 ( -16.421 0.000 -6.525) 17.670 ======================= Grid point 49 (20/75) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 14.477 0.000 7.568) 16.336 1.738 ( 5.622 0.000 -0.102) 5.623 1.777 ( -8.325 0.000 2.819) 8.790 1.867 ( -8.126 0.000 -1.156) 8.208 2.069 ( 14.420 0.000 -5.786) 15.537 2.349 ( -13.126 0.000 -5.727) 14.321 2.457 ( 13.384 0.000 -9.266) 16.278 2.678 ( -6.042 0.000 -7.197) 9.397 2.829 ( 12.138 0.000 12.180) 17.195 2.984 ( -5.413 0.000 11.723) 12.912 3.009 ( 12.216 0.000 7.878) 14.536 3.224 ( -9.006 0.000 7.719) 11.861 3.380 ( 17.542 0.000 -10.842) 20.622 3.454 ( 15.237 0.000 -20.355) 25.426 3.704 ( -14.515 0.000 -12.252) 18.995 3.769 ( -16.934 0.000 -16.002) 23.299 3.900 ( 4.460 0.000 -3.628) 5.749 3.961 ( -1.137 0.000 -2.415) 2.669 4.136 ( 8.038 0.000 1.448) 8.168 4.145 ( 3.536 0.000 -1.593) 3.878 4.244 ( -4.643 0.000 0.847) 4.720 4.273 ( -3.472 0.000 3.470) 4.909 4.341 ( -0.877 0.000 2.755) 2.891 4.462 ( -10.860 0.000 2.270) 11.094 4.470 ( 0.435 0.000 4.155) 4.178 4.532 ( -6.856 0.000 1.202) 6.961 4.636 ( 3.659 0.000 -4.621) 5.894 4.704 ( -3.658 0.000 -4.358) 5.690 4.794 ( 5.509 0.000 5.178) 7.560 4.979 ( -13.668 0.000 6.973) 15.344 5.091 ( -1.534 0.000 -2.360) 2.815 5.117 ( -4.257 0.000 -5.031) 6.590 5.414 ( 7.127 0.000 11.344) 13.397 5.521 ( 8.844 0.000 4.259) 9.816 5.589 ( -10.651 0.000 13.901) 17.512 5.690 ( -8.227 0.000 6.437) 10.446 6.109 ( 1.438 0.000 2.292) 2.706 6.132 ( -0.770 0.000 2.991) 3.089 6.262 ( 1.290 0.000 -0.657) 1.448 6.296 ( -2.202 0.000 -0.229) 2.214 6.492 ( 2.828 0.000 1.810) 3.357 6.538 ( -1.747 0.000 1.973) 2.635 6.750 ( 3.801 0.000 1.579) 4.116 6.820 ( -3.498 0.000 1.897) 3.979 7.334 ( 4.324 0.000 -2.496) 4.992 7.398 ( -2.177 0.000 -0.286) 2.196 7.464 ( 2.983 0.000 -2.362) 3.805 7.513 ( -1.896 0.000 0.230) 1.910 7.943 ( 6.956 0.000 -0.912) 7.015 8.032 ( -2.197 0.000 -3.184) 3.869 8.081 ( 5.066 0.000 -7.522) 9.069 8.134 ( 1.887 0.000 -4.324) 4.718 8.190 ( 6.327 0.000 -3.136) 7.062 8.372 ( -8.849 0.000 -3.220) 9.416 8.551 ( 2.686 0.000 -8.108) 8.541 8.573 ( 9.956 0.000 -0.581) 9.973 8.643 ( -5.803 0.000 -7.124) 9.189 8.792 ( -12.189 0.000 -2.211) 12.388 8.864 ( 14.803 0.000 -3.539) 15.220 9.143 ( -13.769 0.000 -6.924) 15.412 10.102 ( 5.536 0.000 6.508) 8.544 10.145 ( 5.480 0.000 5.782) 7.966 10.179 ( -2.900 0.000 6.480) 7.100 10.224 ( -3.287 0.000 4.812) 5.827 10.705 ( 14.799 0.000 4.040) 15.341 10.851 ( 12.218 0.000 -0.027) 12.218 10.946 ( -10.468 0.000 2.422) 10.744 11.049 ( -8.035 0.000 -0.175) 8.036 11.658 ( 34.794 0.000 17.947) 39.149 11.699 ( 34.297 0.000 21.631) 40.549 12.293 ( -31.486 0.000 17.582) 36.063 12.343 ( -32.452 0.000 22.090) 39.257 15.558 ( 21.329 0.000 1.654) 21.393 15.916 ( -16.802 0.000 4.167) 17.311 17.245 ( 26.666 0.000 -8.776) 28.073 17.759 ( -27.466 0.000 -11.101) 29.625 20.916 ( 7.339 0.000 3.668) 8.204 21.060 ( -7.825 0.000 4.926) 9.247 22.202 ( 15.666 0.000 -5.854) 16.724 22.483 ( -13.639 0.000 -5.153) 14.579 22.636 ( 6.381 0.000 -1.807) 6.632 22.681 ( 11.295 0.000 -2.923) 11.667 22.753 ( -6.085 0.000 -2.730) 6.670 22.909 ( -13.099 0.000 -4.569) 13.873 ======================= Grid point 54 (21/75) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.000 16.346 12.011) 20.284 0.768 ( 0.000 13.067 25.413) 28.575 1.188 ( 0.000 27.215 25.813) 37.509 1.234 ( 0.000 -8.663 15.489) 17.747 1.304 ( 0.000 -8.406 16.878) 18.856 2.163 ( 0.000 10.330 -16.502) 19.468 2.229 ( 0.000 -16.386 -0.807) 16.406 2.578 ( 0.000 -1.583 6.097) 6.299 2.632 ( 0.000 -4.878 2.694) 5.572 2.677 ( 0.000 -9.131 -21.499) 23.357 2.982 ( 0.000 5.056 4.351) 6.671 3.200 ( 0.000 8.893 5.701) 10.563 3.362 ( 0.000 -12.057 -4.315) 12.806 3.573 ( 0.000 -5.598 0.185) 5.601 3.617 ( 0.000 2.034 13.784) 13.933 3.757 ( 0.000 -3.168 21.166) 21.402 3.978 ( 0.000 0.140 0.936) 0.946 4.065 ( 0.000 13.055 -4.937) 13.957 4.154 ( 0.000 -7.251 0.684) 7.283 4.323 ( 0.000 1.550 -5.340) 5.560 4.347 ( 0.000 0.792 -2.204) 2.342 4.359 ( 0.000 5.671 -2.918) 6.378 4.457 ( 0.000 -3.850 1.963) 4.321 4.632 ( 0.000 -1.771 -2.430) 3.007 4.723 ( 0.000 1.586 -4.197) 4.487 4.811 ( 0.000 2.831 0.989) 2.999 4.979 ( 0.000 4.794 1.823) 5.129 5.161 ( 0.000 -3.622 0.635) 3.677 5.192 ( 0.000 -3.301 0.950) 3.435 5.324 ( 0.000 -9.013 -0.852) 9.053 5.688 ( 0.000 7.427 -7.782) 10.757 5.790 ( 0.000 2.773 -6.640) 7.196 5.843 ( 0.000 0.023 -7.938) 7.938 5.846 ( 0.000 -7.157 -1.604) 7.334 5.862 ( 0.000 -7.778 -1.911) 8.009 5.971 ( 0.000 -2.956 -2.600) 3.937 6.197 ( 0.000 6.519 2.043) 6.832 6.258 ( 0.000 7.649 0.759) 7.686 6.262 ( 0.000 7.172 1.022) 7.245 6.314 ( 0.000 8.699 -2.614) 9.083 6.455 ( 0.000 -2.590 1.553) 3.020 6.645 ( 0.000 0.350 -12.184) 12.189 6.647 ( 0.000 -3.696 -5.669) 6.768 6.730 ( 0.000 -2.604 -11.047) 11.350 6.843 ( 0.000 1.546 -1.269) 2.000 6.972 ( 0.000 -2.413 6.299) 6.746 7.255 ( 0.000 3.368 4.884) 5.933 7.455 ( 0.000 -4.727 3.049) 5.625 7.465 ( 0.000 0.562 -8.296) 8.315 7.546 ( 0.000 -3.147 -0.699) 3.224 7.755 ( 0.000 2.079 6.943) 7.248 7.847 ( 0.000 -1.792 8.594) 8.779 8.174 ( 0.000 8.719 -1.641) 8.873 8.284 ( 0.000 3.961 17.311) 17.758 8.562 ( 0.000 -6.882 22.424) 23.456 8.651 ( 0.000 -10.487 -2.710) 10.832 8.668 ( 0.000 -0.956 -4.758) 4.853 8.809 ( 0.000 -3.184 3.736) 4.909 9.155 ( 0.000 2.063 18.378) 18.493 9.229 ( 0.000 -1.370 21.164) 21.209 9.346 ( 0.000 3.774 -7.498) 8.394 9.490 ( 0.000 -3.176 -9.103) 9.641 9.718 ( 0.000 5.520 4.070) 6.858 9.921 ( 0.000 -2.949 5.891) 6.588 10.239 ( 0.000 1.824 2.911) 3.435 10.258 ( 0.000 1.281 1.322) 1.841 10.406 ( 0.000 0.890 -0.005) 0.890 10.489 ( 0.000 -1.987 1.633) 2.572 11.188 ( 0.000 0.907 -4.082) 4.182 11.219 ( 0.000 -0.237 -3.770) 3.778 13.585 ( 0.000 0.249 -8.959) 8.962 13.596 ( 0.000 -0.161 -8.975) 8.976 13.835 ( 0.000 12.071 38.379) 40.233 15.932 ( 0.000 -133.766 130.648) 186.982 16.016 ( 0.000 8.073 -0.463) 8.086 16.482 ( 0.000 -9.709 8.856) 13.141 21.007 ( 0.000 7.829 0.455) 7.843 21.387 ( 0.000 -6.721 7.456) 10.038 21.986 ( 0.000 3.473 6.611) 7.468 22.162 ( 0.000 -3.409 4.727) 5.828 23.027 ( 0.000 0.946 -3.155) 3.294 23.070 ( 0.000 -0.722 -3.326) 3.403 23.153 ( 0.000 61.644 -69.270) 92.727 23.925 ( 0.000 -2.392 -18.060) 18.218 ======================= Grid point 55 (22/75) ======================= q-point: ( 0.11 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 14.706 12.558 3.684) 19.686 0.873 ( 9.702 17.968 13.206) 24.318 1.184 ( 4.497 -7.548 4.473) 9.859 1.468 ( 24.118 16.832 27.883) 40.527 1.577 ( 17.819 -12.020 16.135) 26.876 2.190 ( -1.989 -10.250 1.429) 10.539 2.240 ( 6.236 7.730 -13.426) 16.700 2.548 ( -2.757 -1.013 5.058) 5.849 2.596 ( -3.942 -5.417 3.431) 7.526 2.724 ( 4.093 -8.944 -19.222) 21.592 2.949 ( -4.156 8.116 8.456) 12.436 3.073 ( -5.702 6.496 -0.476) 8.657 3.383 ( -1.075 -11.465 -2.947) 11.886 3.463 ( -7.281 -7.721 2.838) 10.986 3.674 ( 3.893 3.347 10.188) 11.409 3.822 ( 3.649 -1.117 15.664) 16.123 3.998 ( 0.364 1.825 -2.525) 3.137 4.043 ( -1.624 9.230 -5.122) 10.680 4.134 ( 3.311 -0.122 1.610) 3.684 4.333 ( 0.659 1.025 -5.471) 5.605 4.358 ( 1.417 1.123 -1.524) 2.365 4.371 ( 0.151 4.995 -2.933) 5.794 4.469 ( -1.375 -5.122 0.674) 5.346 4.594 ( -3.860 -0.176 -1.310) 4.080 4.681 ( -5.019 1.003 -4.462) 6.790 4.805 ( -1.331 2.454 0.210) 2.800 4.906 ( -5.940 3.197 1.446) 6.899 5.112 ( -5.008 -5.579 0.801) 7.540 5.212 ( 1.378 -2.435 0.899) 2.939 5.278 ( -5.990 -7.263 -0.317) 9.420 5.545 ( -11.574 1.097 -6.593) 13.365 5.553 ( -13.293 -0.291 -5.648) 14.446 5.723 ( -10.782 0.453 -3.601) 11.376 5.823 ( -5.977 -2.987 -1.583) 6.866 5.920 ( -1.929 -0.337 -2.111) 2.880 5.979 ( 2.124 -4.336 -0.328) 4.839 6.078 ( -8.989 6.378 6.146) 12.620 6.162 ( -5.891 2.460 2.423) 6.828 6.295 ( 2.714 3.933 0.826) 4.849 6.343 ( 0.681 4.799 2.537) 5.471 6.464 ( 2.803 -1.800 0.682) 3.400 6.525 ( -3.993 -2.492 -2.013) 5.119 6.727 ( -2.619 3.860 0.603) 4.704 6.864 ( 13.697 2.659 -13.696) 19.552 6.910 ( 0.061 -3.998 3.416) 5.259 7.053 ( 13.972 -4.554 -10.436) 18.024 7.308 ( 3.826 3.433 2.359) 5.656 7.434 ( 0.228 -2.160 -1.715) 2.767 7.518 ( 4.721 0.384 -3.905) 6.139 7.573 ( 3.477 0.064 0.154) 3.481 7.900 ( 6.409 -0.484 2.797) 7.010 7.924 ( 8.729 -0.611 -0.260) 8.754 8.044 ( -6.280 5.201 4.884) 9.505 8.182 ( -5.254 0.044 12.622) 13.672 8.473 ( -4.263 0.895 9.316) 10.284 8.681 ( -0.212 -2.069 -3.379) 3.968 8.738 ( 1.043 -3.176 0.948) 3.474 8.758 ( -0.402 -2.722 3.053) 4.110 9.256 ( 9.690 0.157 9.571) 13.621 9.341 ( 11.434 -1.746 16.982) 20.547 9.473 ( 4.767 6.591 1.204) 8.222 9.613 ( 7.467 -0.059 -6.774) 10.082 9.911 ( 3.546 -1.594 5.014) 6.345 9.933 ( 16.467 -2.949 -2.612) 16.932 10.259 ( 0.136 1.257 2.597) 2.888 10.290 ( 4.577 -0.060 4.642) 6.520 10.397 ( 0.073 2.054 1.374) 2.472 10.515 ( 3.145 -2.238 2.709) 4.716 11.197 ( 0.641 1.364 -3.309) 3.637 11.244 ( 1.802 -0.401 -2.660) 3.238 13.499 ( -9.356 0.981 7.994) 12.346 13.529 ( -7.396 -0.353 5.445) 9.191 14.152 ( 29.340 17.391 17.013) 38.115 16.112 ( 9.967 6.758 -0.826) 12.071 16.329 ( 5.516 -43.639 21.450) 48.938 16.814 ( 45.566 -90.794 40.263) 109.274 21.008 ( -0.028 8.835 0.024) 8.835 21.364 ( -2.424 -5.817 7.010) 9.426 22.065 ( 7.753 2.673 5.170) 9.694 22.211 ( 4.885 -3.186 3.802) 6.962 22.741 ( -31.026 63.933 -39.942) 81.519 22.993 ( -3.529 1.101 -3.222) 4.904 23.042 ( -3.129 -0.399 -3.682) 4.848 23.767 ( -14.995 -5.022 -15.148) 21.898 ======================= Grid point 56 (23/75) ======================= q-point: ( 0.22 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 16.261 9.151 -3.640) 19.011 1.142 ( 20.861 10.668 3.536) 23.696 1.400 ( 16.149 -5.751 -8.591) 19.175 1.830 ( 5.580 -18.814 2.044) 19.731 1.940 ( 21.636 6.292 24.456) 33.254 2.218 ( 7.133 -4.258 19.173) 20.895 2.305 ( -2.139 8.431 0.110) 8.699 2.511 ( -1.287 2.744 2.142) 3.711 2.542 ( 4.598 0.499 -5.657) 7.307 2.821 ( 6.130 -8.525 -15.934) 19.083 2.907 ( -0.166 8.344 1.599) 8.497 3.030 ( 0.549 3.880 1.881) 4.347 3.302 ( -4.884 -5.114 1.706) 7.274 3.366 ( -4.445 -10.371 -3.362) 11.773 3.745 ( 4.068 3.206 4.865) 7.105 3.878 ( 2.806 -0.684 8.147) 8.644 3.987 ( -1.177 7.068 -4.162) 8.287 4.040 ( 1.125 4.839 -7.051) 8.626 4.197 ( -0.601 -0.920 -2.294) 2.544 4.294 ( -4.787 -0.205 -7.627) 9.007 4.359 ( -2.467 2.421 -1.799) 3.896 4.390 ( 0.329 1.532 -2.333) 2.810 4.430 ( -1.114 -3.712 3.432) 5.177 4.516 ( -3.262 0.940 -0.330) 3.410 4.576 ( -3.275 4.044 -0.293) 5.212 4.732 ( -5.577 -1.024 -1.096) 5.775 4.800 ( -5.471 1.753 -0.165) 5.748 4.973 ( -11.969 -5.360 1.822) 13.240 5.097 ( -9.634 -3.209 -1.454) 10.258 5.176 ( -6.277 -6.231 -1.425) 8.959 5.334 ( -8.695 2.027 0.035) 8.929 5.395 ( -4.222 -1.012 -2.856) 5.196 5.492 ( -11.436 0.373 -0.279) 11.446 5.605 ( -15.051 -0.893 0.396) 15.083 5.879 ( -3.138 1.921 3.423) 5.025 5.934 ( -5.896 1.907 4.890) 7.894 6.015 ( 1.441 -5.505 0.596) 5.721 6.069 ( -3.969 -4.146 6.507) 8.677 6.329 ( 0.962 3.822 1.218) 4.125 6.363 ( 1.838 2.200 2.614) 3.879 6.497 ( -0.088 3.643 0.884) 3.750 6.525 ( 2.341 -0.094 2.262) 3.256 6.675 ( -1.692 2.005 0.832) 2.753 6.871 ( -2.096 -4.439 2.864) 5.683 7.121 ( 10.343 2.405 -11.200) 15.434 7.280 ( 7.735 -4.401 -8.095) 12.030 7.391 ( 4.023 1.865 -2.125) 4.917 7.461 ( 3.183 -0.931 -0.501) 3.354 7.638 ( 7.390 1.811 -1.970) 7.859 7.687 ( 8.970 0.019 -0.589) 8.989 7.956 ( 2.505 3.165 -3.800) 5.544 8.008 ( 3.759 2.641 -4.468) 6.408 8.121 ( 7.373 -1.203 1.203) 7.567 8.207 ( 7.140 -2.689 6.450) 9.990 8.407 ( -2.127 3.813 3.048) 5.325 8.637 ( -3.905 -2.172 -3.092) 5.434 8.694 ( -3.283 0.691 -0.122) 3.357 8.756 ( -2.483 -7.072 1.229) 7.595 9.306 ( -5.488 7.019 -1.429) 9.024 9.481 ( -1.028 -0.669 -5.973) 6.097 9.688 ( 17.829 -0.272 12.788) 21.943 9.746 ( 9.619 -1.426 8.472) 12.897 10.102 ( 15.190 2.313 2.938) 15.644 10.222 ( 6.543 -2.065 3.788) 7.837 10.295 ( 9.912 0.356 -0.175) 9.920 10.321 ( -0.506 -0.708 2.107) 2.279 10.543 ( 16.883 1.644 10.863) 20.143 10.640 ( 11.469 -2.197 7.416) 13.834 11.196 ( -1.117 2.143 -1.357) 2.771 11.263 ( -0.142 -0.489 -0.288) 0.585 13.245 ( -17.441 1.154 14.407) 22.651 13.295 ( -17.149 -0.789 16.240) 23.632 14.778 ( 33.133 24.114 4.126) 41.186 16.298 ( -4.525 -13.491 6.310) 15.566 16.377 ( 17.027 3.867 -1.713) 17.544 17.484 ( 19.882 -80.059 5.316) 82.662 21.002 ( -0.487 11.679 -0.828) 11.719 21.299 ( -4.300 -3.526 5.844) 8.067 22.242 ( 6.694 4.177 0.790) 7.930 22.289 ( -5.525 34.386 -12.059) 36.855 22.345 ( 3.261 7.058 -0.505) 7.792 22.897 ( -6.533 1.593 -3.467) 7.566 22.962 ( -5.232 -1.000 -3.361) 6.299 23.427 ( -19.209 -9.238 -10.724) 23.861 ======================= Grid point 57 (24/75) ======================= q-point: ( 0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 10.002 2.101 2.882) 10.619 1.586 ( 22.554 6.563 -5.565) 24.139 1.643 ( 3.202 -10.628 -10.390) 15.204 1.899 ( 8.736 -8.851 -2.414) 12.668 2.043 ( -3.221 6.441 9.099) 11.604 2.311 ( -0.207 -3.739 6.680) 7.658 2.455 ( 10.402 3.660 11.881) 16.210 2.612 ( 10.341 3.277 11.576) 15.865 2.652 ( 5.976 4.974 -6.377) 10.056 2.853 ( 0.781 -2.921 -5.994) 6.714 3.026 ( 8.817 -2.726 -10.790) 14.198 3.074 ( 5.068 5.215 8.823) 11.434 3.252 ( -3.396 -4.994 2.243) 6.442 3.306 ( 3.101 -3.103 -10.504) 11.383 3.839 ( 5.393 2.673 -0.426) 6.034 3.898 ( -3.490 1.761 -9.060) 9.868 4.001 ( 3.633 2.821 4.771) 6.627 4.035 ( -1.813 3.334 -5.535) 6.711 4.105 ( -11.044 1.439 -10.218) 15.114 4.162 ( -3.053 0.881 -4.332) 5.372 4.271 ( -4.563 -1.023 -0.459) 4.699 4.356 ( -2.890 4.206 -0.126) 5.105 4.430 ( -5.063 -0.716 -1.811) 5.425 4.483 ( 3.665 -3.567 -0.870) 5.188 4.583 ( 0.511 5.028 4.110) 6.514 4.634 ( -12.950 -4.290 1.718) 13.750 4.650 ( -2.270 -2.545 -1.003) 3.554 4.759 ( -5.253 0.551 -1.263) 5.431 4.909 ( -11.517 2.393 -1.698) 11.885 5.062 ( -4.019 -8.982 1.445) 9.946 5.148 ( -10.903 -1.626 4.928) 12.075 5.287 ( -14.543 -2.322 -0.064) 14.728 5.375 ( -1.324 2.183 5.004) 5.618 5.409 ( 2.581 0.724 1.657) 3.151 5.758 ( -8.675 -0.096 10.639) 13.728 5.829 ( -6.678 -0.575 5.298) 8.543 6.025 ( 0.117 -3.984 2.450) 4.679 6.043 ( 0.549 -5.402 2.038) 5.800 6.348 ( 1.226 5.531 0.710) 5.709 6.410 ( 3.058 1.843 2.476) 4.345 6.469 ( -2.684 5.349 1.164) 6.097 6.547 ( -0.103 -0.023 2.255) 2.258 6.685 ( 2.429 0.062 1.001) 2.628 6.832 ( -2.036 -4.370 1.976) 5.210 7.262 ( 5.575 2.067 -5.512) 8.108 7.379 ( 3.846 -2.569 -4.625) 6.541 7.428 ( 0.476 1.534 0.268) 1.628 7.508 ( 0.759 -1.530 1.200) 2.087 7.810 ( 9.983 2.420 -2.760) 10.636 7.892 ( 11.778 -0.938 -4.450) 12.625 8.034 ( 4.301 2.762 -6.452) 8.231 8.085 ( 4.305 3.676 -6.084) 8.310 8.212 ( 0.803 1.081 -2.289) 2.656 8.314 ( 3.164 -3.506 -2.550) 5.367 8.467 ( 5.363 -2.745 2.025) 6.355 8.556 ( -2.410 -0.570 -4.567) 5.195 8.646 ( -1.020 0.878 -0.872) 1.603 8.683 ( -2.270 -4.770 -0.559) 5.312 9.144 ( -10.467 8.031 -3.643) 13.686 9.354 ( -10.242 -1.837 -7.635) 12.906 9.950 ( 9.673 -0.642 7.071) 11.999 9.973 ( 10.660 -1.598 7.159) 12.940 10.223 ( -0.853 0.436 5.920) 5.997 10.256 ( -1.313 -1.497 4.811) 5.207 10.446 ( 14.907 3.364 3.095) 15.592 10.573 ( 14.255 -2.108 -0.759) 14.430 10.991 ( 21.972 -0.325 10.604) 24.399 10.999 ( 27.114 -0.349 13.705) 30.383 11.154 ( -0.428 3.233 3.513) 4.793 11.249 ( 1.893 -0.783 6.328) 6.652 12.841 ( -25.168 0.982 16.986) 30.379 12.888 ( -25.610 -0.831 20.231) 32.648 15.328 ( 24.510 21.594 -0.235) 32.666 16.174 ( -8.318 -3.773 3.837) 9.907 16.739 ( 20.241 -0.850 -3.613) 20.579 17.618 ( -3.240 -48.790 -4.865) 49.139 21.001 ( 0.664 12.076 -0.643) 12.111 21.207 ( -5.178 -0.345 4.271) 6.721 22.191 ( 2.161 23.601 -7.238) 24.781 22.460 ( 10.464 0.432 -1.127) 10.534 22.473 ( 6.961 -2.140 -0.135) 7.284 22.746 ( -9.400 2.365 -4.077) 10.516 22.853 ( -6.087 -1.349 -3.177) 6.998 23.090 ( -15.570 -9.718 -6.814) 19.578 ======================= Grid point 58 (25/75) ======================= q-point: ( 0.44 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 8.142 -6.138 2.970) 10.620 1.562 ( -7.553 -11.503 -0.651) 13.777 1.902 ( 9.263 9.013 1.727) 13.039 2.014 ( -2.128 5.401 1.928) 6.117 2.123 ( 12.932 4.800 -5.372) 14.803 2.359 ( -1.619 -1.882 -6.058) 6.547 2.424 ( 1.033 0.318 -7.873) 7.947 2.614 ( -7.670 -4.578 -5.268) 10.371 2.881 ( 9.567 2.436 10.282) 14.254 2.946 ( 5.054 -2.965 11.160) 12.605 3.050 ( 1.554 3.166 8.536) 9.236 3.157 ( -5.589 -4.325 9.489) 11.831 3.354 ( 17.695 0.932 -13.965) 22.561 3.484 ( 13.304 -0.623 -14.995) 20.056 3.700 ( -15.666 1.127 -16.179) 22.549 3.779 ( -14.566 -0.600 -16.054) 21.686 3.974 ( 3.173 5.208 -1.257) 6.227 4.029 ( -1.031 4.325 -3.063) 5.399 4.134 ( 7.345 0.185 1.107) 7.430 4.163 ( 3.407 -0.468 1.429) 3.724 4.216 ( -1.785 -0.651 0.443) 1.951 4.287 ( -5.619 4.376 0.839) 7.171 4.327 ( -2.527 -1.084 -0.171) 2.755 4.400 ( -8.439 -0.381 -0.422) 8.458 4.573 ( 2.195 -1.242 -4.308) 4.992 4.592 ( 3.115 2.810 4.053) 5.833 4.619 ( -2.384 -0.687 -3.592) 4.366 4.696 ( -7.539 4.445 1.385) 8.861 4.771 ( 4.160 -1.825 4.732) 6.560 4.940 ( -11.685 -2.560 6.590) 13.657 5.013 ( -0.921 -7.902 0.945) 8.012 5.057 ( -6.748 -4.951 -0.161) 8.372 5.428 ( 5.965 1.841 9.336) 11.231 5.520 ( 8.044 -0.542 4.592) 9.278 5.580 ( -9.432 0.535 11.846) 15.152 5.683 ( -8.495 -1.425 6.031) 10.515 6.037 ( 0.753 -4.132 1.795) 4.567 6.046 ( -0.205 -4.675 1.488) 4.911 6.376 ( 1.760 6.214 0.493) 6.478 6.416 ( -2.481 6.675 0.835) 7.170 6.473 ( 3.174 0.008 2.160) 3.840 6.525 ( -2.146 -0.170 2.096) 3.005 6.740 ( 2.981 -1.122 1.478) 3.511 6.791 ( -2.364 -2.788 1.689) 4.026 7.352 ( 4.005 1.620 -2.685) 5.087 7.411 ( -2.048 0.970 -0.685) 2.367 7.446 ( 3.145 -1.345 -2.171) 4.051 7.496 ( -1.840 -1.563 0.167) 2.420 7.979 ( 7.206 3.066 -1.660) 8.005 8.056 ( 0.666 1.394 -3.633) 3.948 8.110 ( 5.625 2.597 -7.392) 9.645 8.171 ( 2.751 3.254 -3.966) 5.821 8.188 ( 1.655 0.316 -3.680) 4.048 8.334 ( -5.018 -3.673 -3.315) 7.047 8.417 ( -0.165 -5.668 -3.406) 6.615 8.503 ( -6.463 -8.528 -5.028) 11.823 8.710 ( 9.322 6.087 -3.734) 11.743 8.839 ( 10.664 -0.122 -3.763) 11.309 8.940 ( -8.166 6.925 -3.917) 11.402 9.127 ( -13.376 -1.720 -6.321) 14.894 10.084 ( 4.579 -1.249 5.583) 7.328 10.103 ( 3.313 -2.398 5.095) 6.533 10.199 ( -0.992 0.674 6.582) 6.690 10.217 ( -2.229 -0.610 5.463) 5.932 10.724 ( 13.180 1.691 3.528) 13.748 10.809 ( 9.030 -2.489 1.186) 9.441 11.001 ( -6.456 3.352 1.300) 7.390 11.057 ( -7.313 0.427 0.016) 7.325 11.663 ( 34.769 0.490 18.625) 39.446 11.693 ( 34.333 -0.565 21.205) 40.358 12.300 ( -31.652 0.700 18.333) 36.584 12.336 ( -32.318 -0.654 21.510) 38.827 15.714 ( 16.838 13.985 -0.073) 21.888 15.983 ( -11.925 5.231 1.691) 13.131 17.117 ( 19.062 -10.066 -5.250) 22.186 17.439 ( -14.258 -25.518 -6.212) 29.884 21.036 ( 3.043 8.336 0.717) 8.903 21.111 ( -4.755 3.679 2.491) 6.508 22.312 ( 9.505 9.879 -5.217) 14.668 22.510 ( -9.253 2.579 -4.247) 10.503 22.622 ( 4.698 -1.615 -2.682) 5.646 22.655 ( 8.094 -2.311 -2.528) 8.789 22.739 ( -5.437 -1.153 -2.752) 6.202 22.846 ( -10.660 -5.703 -4.162) 12.786 ======================= Grid point 63 (26/75) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.000 -17.806 10.870) 20.862 0.934 ( 0.000 17.806 10.870) 20.862 1.064 ( 0.000 -14.034 19.473) 24.003 1.064 ( 0.000 14.034 19.473) 24.003 1.780 ( 0.000 -26.332 11.000) 28.537 1.780 ( 0.000 26.332 11.000) 28.537 2.427 ( 0.000 -13.798 -18.086) 22.749 2.427 ( 0.000 13.798 -18.086) 22.749 2.565 ( 0.000 -1.056 4.452) 4.576 2.565 ( 0.000 1.056 4.452) 4.576 3.133 ( 0.000 -9.449 -1.591) 9.582 3.133 ( 0.000 9.449 -1.591) 9.582 3.403 ( 0.000 -9.895 3.809) 10.603 3.403 ( 0.000 9.895 3.809) 10.603 3.684 ( 0.000 -3.747 17.893) 18.281 3.684 ( 0.000 3.747 17.893) 18.281 4.031 ( 0.000 -4.656 -0.949) 4.752 4.031 ( 0.000 4.656 -0.949) 4.752 4.291 ( 0.000 -8.780 -1.570) 8.919 4.291 ( 0.000 8.780 -1.570) 8.919 4.349 ( 0.000 -0.704 -2.781) 2.868 4.349 ( 0.000 0.704 -2.781) 2.868 4.541 ( 0.000 -7.183 -4.580) 8.519 4.541 ( 0.000 7.183 -4.580) 8.519 4.798 ( 0.000 -4.068 0.388) 4.086 4.798 ( 0.000 4.068 0.388) 4.086 5.128 ( 0.000 -9.107 0.343) 9.114 5.128 ( 0.000 9.107 0.343) 9.114 5.129 ( 0.000 -1.791 1.139) 2.122 5.129 ( 0.000 1.791 1.139) 2.122 5.770 ( 0.000 -0.431 -1.747) 1.800 5.770 ( 0.000 0.431 -1.747) 1.800 5.790 ( 0.000 -3.541 -7.799) 8.565 5.790 ( 0.000 3.541 -7.799) 8.565 5.888 ( 0.000 -4.783 -2.791) 5.537 5.888 ( 0.000 4.783 -2.791) 5.537 6.344 ( 0.000 -6.458 -2.516) 6.931 6.344 ( 0.000 6.458 -2.516) 6.931 6.345 ( 0.000 -0.154 2.046) 2.052 6.345 ( 0.000 0.154 2.046) 2.052 6.520 ( 0.000 -8.494 -6.143) 10.483 6.520 ( 0.000 8.494 -6.143) 10.483 6.670 ( 0.000 -2.445 -13.082) 13.308 6.670 ( 0.000 2.445 -13.082) 13.308 6.900 ( 0.000 -3.850 4.435) 5.874 6.900 ( 0.000 3.850 4.435) 5.874 7.346 ( 0.000 -5.209 4.059) 6.604 7.346 ( 0.000 5.209 4.059) 6.604 7.491 ( 0.000 -1.998 -4.114) 4.574 7.491 ( 0.000 1.998 -4.114) 4.574 7.803 ( 0.000 -2.375 7.758) 8.113 7.803 ( 0.000 2.375 7.758) 8.113 8.402 ( 0.000 -7.165 20.306) 21.533 8.402 ( 0.000 7.165 20.306) 21.533 8.402 ( 0.000 -12.435 -1.856) 12.573 8.402 ( 0.000 12.435 -1.856) 12.573 8.723 ( 0.000 -4.417 1.274) 4.597 8.723 ( 0.000 4.417 1.274) 4.597 9.194 ( 0.000 -1.863 20.725) 20.809 9.194 ( 0.000 1.863 20.725) 20.809 9.422 ( 0.000 -3.450 -8.517) 9.190 9.422 ( 0.000 3.450 -8.517) 9.190 9.835 ( 0.000 -5.229 4.913) 7.175 9.835 ( 0.000 5.229 4.913) 7.175 10.268 ( 0.000 -0.560 1.910) 1.990 10.268 ( 0.000 0.560 1.910) 1.990 10.440 ( 0.000 -2.350 0.588) 2.422 10.440 ( 0.000 2.350 0.588) 2.422 11.208 ( 0.000 -0.873 -3.931) 4.027 11.208 ( 0.000 0.873 -3.931) 4.027 13.591 ( 0.000 -0.286 -8.943) 8.947 13.591 ( 0.000 0.286 -8.943) 8.947 14.322 ( 0.000 -40.040 73.856) 84.011 14.322 ( 0.000 40.040 73.856) 84.011 16.238 ( 0.000 -12.471 3.881) 13.061 16.238 ( 0.000 12.471 3.881) 13.061 21.204 ( 0.000 -10.148 4.246) 11.000 21.204 ( 0.000 10.148 4.246) 11.000 22.073 ( 0.000 -4.683 5.976) 7.592 22.073 ( 0.000 4.683 5.976) 7.592 23.050 ( 0.000 -1.160 -3.207) 3.411 23.050 ( 0.000 1.160 -3.207) 3.411 23.792 ( 0.000 -12.851 -33.632) 36.003 23.792 ( 0.000 12.851 -33.632) 36.003 ======================= Grid point 65 (27/75) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 8.350 -13.801 3.154) 16.436 0.955 ( 8.350 13.801 3.154) 16.436 1.255 ( 12.219 -17.872 11.068) 24.315 1.255 ( 12.219 17.872 11.068) 24.315 1.865 ( 9.095 -19.002 16.942) 27.034 1.865 ( 9.095 19.002 16.942) 27.034 2.481 ( 4.569 -12.274 -15.073) 19.968 2.481 ( 4.569 12.274 -15.073) 19.968 2.538 ( -1.836 -0.298 2.322) 2.975 2.538 ( -1.836 0.298 2.322) 2.975 3.118 ( -1.842 -7.438 2.187) 7.969 3.118 ( -1.842 7.438 2.187) 7.969 3.289 ( -7.128 -7.160 2.176) 10.335 3.289 ( -7.128 7.160 2.176) 10.335 3.759 ( 4.265 -4.262 11.756) 13.213 3.759 ( 4.265 4.262 11.756) 13.213 4.060 ( 3.112 -3.803 -2.577) 5.549 4.060 ( 3.112 3.803 -2.577) 5.549 4.262 ( -2.838 -8.245 -2.288) 9.015 4.262 ( -2.838 8.245 -2.288) 9.015 4.373 ( 1.934 -0.542 -1.064) 2.273 4.373 ( 1.934 0.542 -1.064) 2.273 4.533 ( -1.582 -6.142 -5.183) 8.191 4.533 ( -1.582 6.142 -5.183) 8.191 4.770 ( -2.974 -5.663 0.478) 6.414 4.770 ( -2.974 5.663 0.478) 6.414 5.000 ( -7.683 -5.069 1.014) 9.260 5.000 ( -7.683 5.069 1.014) 9.260 5.175 ( -0.952 -0.950 0.782) 1.555 5.175 ( -0.952 0.950 0.782) 1.555 5.548 ( -13.391 -0.254 -6.308) 14.805 5.548 ( -13.391 0.254 -6.308) 14.805 5.757 ( -7.871 -2.686 -1.119) 8.392 5.757 ( -7.871 2.686 -1.119) 8.392 5.923 ( 1.529 -1.383 -1.439) 2.515 5.923 ( 1.529 1.383 -1.439) 2.515 6.198 ( -13.458 -2.847 2.603) 14.000 6.198 ( -13.458 2.847 2.603) 14.000 6.339 ( 1.054 -2.608 0.955) 2.971 6.339 ( 1.054 2.608 0.955) 2.971 6.483 ( 2.439 -2.419 -1.347) 3.690 6.483 ( 2.439 2.419 -1.347) 3.690 6.815 ( -0.971 -4.600 2.183) 5.183 6.815 ( -0.971 4.600 2.183) 5.183 6.946 ( 13.206 -5.019 -11.952) 18.505 6.946 ( 13.206 5.019 -11.952) 18.505 7.380 ( 2.020 -3.109 -0.031) 3.708 7.380 ( 2.020 3.109 -0.031) 3.708 7.547 ( 5.490 -1.977 -1.825) 6.114 7.547 ( 5.490 1.977 -1.825) 6.114 7.903 ( 8.072 -0.860 2.378) 8.459 7.903 ( 8.072 0.860 2.378) 8.459 8.151 ( -8.600 -3.818 8.592) 12.743 8.151 ( -8.600 3.818 8.592) 12.743 8.549 ( 1.411 -6.782 5.703) 8.973 8.549 ( 1.411 6.782 5.703) 8.973 8.729 ( -0.221 -1.810 -0.944) 2.053 8.729 ( -0.221 1.810 -0.944) 2.053 9.292 ( 10.886 -2.599 14.031) 17.948 9.292 ( 10.886 2.599 14.031) 17.948 9.582 ( 7.122 -3.441 -3.368) 8.597 9.582 ( 7.122 3.441 -3.368) 8.597 9.891 ( 9.697 -0.588 3.455) 10.310 9.891 ( 9.697 0.588 3.455) 10.310 10.281 ( 1.061 -0.789 2.841) 3.134 10.281 ( 1.061 0.789 2.841) 3.134 10.455 ( 2.378 -3.205 2.302) 4.607 10.455 ( 2.378 3.205 2.302) 4.607 11.227 ( 1.435 -1.276 -3.003) 3.564 11.227 ( 1.435 1.276 -3.003) 3.564 13.518 ( -8.391 -0.765 6.396) 10.578 13.518 ( -8.391 0.765 6.396) 10.578 14.827 ( 43.499 -52.542 38.710) 78.430 14.827 ( 43.499 52.542 38.710) 78.430 16.307 ( 7.594 -11.414 4.420) 14.405 16.307 ( 7.594 11.414 4.420) 14.405 21.200 ( -0.442 -9.341 3.743) 10.073 21.200 ( -0.442 9.341 3.743) 10.073 22.133 ( 5.887 -3.855 4.874) 8.560 22.133 ( 5.887 3.855 4.874) 8.560 23.018 ( -3.259 -1.216 -3.216) 4.737 23.018 ( -3.259 1.216 -3.216) 4.737 23.540 ( -23.020 -19.710 -26.140) 40.021 23.540 ( -23.020 19.710 -26.140) 40.021 ======================= Grid point 67 (28/75) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 16.866 -10.241 -10.812) 22.499 1.231 ( 16.866 10.241 -10.812) 22.499 1.439 ( 8.706 -17.619 4.850) 20.242 1.439 ( 8.706 17.619 4.850) 20.242 2.087 ( 11.370 -7.304 23.468) 27.081 2.087 ( 11.370 7.304 23.468) 27.081 2.481 ( 0.310 -5.717 1.690) 5.970 2.481 ( 0.310 5.717 1.690) 5.970 2.627 ( 7.666 -7.702 -13.060) 16.990 2.627 ( 7.666 7.702 -13.060) 16.990 3.084 ( -0.815 -4.387 6.207) 7.644 3.084 ( -0.815 4.387 6.207) 7.644 3.199 ( -2.486 -1.771 -2.636) 4.033 3.199 ( -2.486 1.771 -2.636) 4.033 3.825 ( 3.454 -3.834 4.567) 6.891 3.825 ( 3.454 3.834 4.567) 6.891 4.103 ( -0.590 -3.197 -5.799) 6.648 4.103 ( -0.590 3.197 -5.799) 6.648 4.210 ( -1.245 -5.394 -3.161) 6.375 4.210 ( -1.245 5.394 -3.161) 6.375 4.385 ( -2.677 -1.089 -0.011) 2.890 4.385 ( -2.677 1.089 -0.011) 2.890 4.483 ( -1.896 -3.994 -5.500) 7.056 4.483 ( -1.896 3.994 -5.500) 7.056 4.685 ( -5.884 -4.375 0.708) 7.366 4.685 ( -5.884 4.375 0.708) 7.366 4.859 ( -6.941 -5.136 3.482) 9.310 4.859 ( -6.941 5.136 3.482) 9.310 5.067 ( -9.443 -2.847 -2.123) 10.089 5.067 ( -9.443 2.847 -2.123) 10.089 5.372 ( -5.096 -1.349 -1.702) 5.540 5.372 ( -5.096 1.349 -1.702) 5.540 5.544 ( -13.147 -3.913 1.646) 13.815 5.544 ( -13.147 3.913 1.646) 13.815 5.922 ( -3.048 -2.234 1.409) 4.033 5.922 ( -3.048 2.234 1.409) 4.033 5.997 ( -5.755 -3.106 5.020) 8.244 5.997 ( -5.755 3.106 5.020) 8.244 6.375 ( 2.182 -1.254 1.692) 3.032 6.375 ( 2.182 1.254 1.692) 3.032 6.536 ( 2.480 -0.513 1.143) 2.778 6.536 ( 2.480 0.513 1.143) 2.778 6.758 ( -3.133 -5.701 2.960) 7.148 6.758 ( -3.133 5.701 2.960) 7.148 7.189 ( 9.601 -4.037 -11.059) 15.192 7.189 ( 9.601 4.037 -11.059) 15.192 7.431 ( 3.195 -1.866 -0.793) 3.784 7.431 ( 3.195 1.866 -0.793) 3.784 7.674 ( 8.192 -1.335 -0.927) 8.352 7.674 ( 8.192 1.335 -0.927) 8.352 8.017 ( 4.044 -2.322 -4.945) 6.796 8.017 ( 4.044 2.322 -4.945) 6.796 8.142 ( 6.208 -3.357 4.326) 8.278 8.142 ( 6.208 3.357 4.326) 8.278 8.522 ( -2.963 -7.106 1.113) 7.779 8.522 ( -2.963 7.106 1.113) 7.779 8.697 ( -2.861 -0.225 0.025) 2.870 8.697 ( -2.861 0.225 0.025) 2.870 9.431 ( -2.644 -4.460 -3.019) 6.000 9.431 ( -2.644 4.460 -3.019) 6.000 9.706 ( 12.891 -1.937 9.621) 16.202 9.706 ( 12.891 1.937 9.621) 16.202 10.164 ( 13.227 -3.268 2.934) 13.937 10.164 ( 13.227 3.268 2.934) 13.937 10.306 ( 3.454 -0.676 1.835) 3.970 10.306 ( 3.454 0.676 1.835) 3.970 10.588 ( 13.543 -2.535 9.082) 16.502 10.588 ( 13.543 2.535 9.082) 16.502 11.240 ( -0.406 -1.780 -0.858) 2.017 11.240 ( -0.406 1.780 -0.858) 2.017 13.272 ( -17.385 -1.309 15.501) 23.329 13.272 ( -17.385 1.309 15.501) 23.329 15.559 ( 28.072 -49.455 6.868) 57.280 15.559 ( 28.072 49.455 6.868) 57.280 16.538 ( 16.329 -14.745 4.472) 22.452 16.538 ( 16.329 14.745 4.472) 22.452 21.187 ( -0.976 -7.163 2.327) 7.594 21.187 ( -0.976 7.163 2.327) 7.594 22.273 ( 8.329 -2.209 2.303) 8.920 22.273 ( 8.329 2.209 2.303) 8.920 22.933 ( -5.668 -1.679 -3.342) 6.790 22.933 ( -5.668 1.679 -3.342) 6.790 23.080 ( -22.314 -25.979 -14.818) 37.314 23.080 ( -22.314 25.979 -14.818) 37.315 ======================= Grid point 69 (29/75) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 1.312 -11.321 -4.989) 12.441 1.388 ( 1.312 11.321 -4.989) 12.441 1.735 ( 20.277 -7.431 -3.569) 21.889 1.735 ( 20.277 7.431 -3.569) 21.889 2.188 ( 0.747 -7.123 9.013) 11.513 2.188 ( 0.747 7.123 9.013) 11.513 2.570 ( 4.595 -6.096 6.861) 10.264 2.570 ( 4.595 6.096 6.861) 10.264 2.765 ( 7.271 -4.884 -4.934) 10.054 2.765 ( 7.271 4.884 -4.934) 10.054 3.081 ( 0.659 -5.678 2.461) 6.223 3.081 ( 0.659 5.678 2.461) 6.223 3.224 ( 5.771 -5.196 -3.499) 8.517 3.224 ( 5.771 5.196 -3.499) 8.517 3.887 ( 1.144 -1.866 -4.790) 5.266 3.887 ( 1.144 1.866 -4.790) 5.266 4.060 ( -1.610 -1.176 -3.420) 3.959 4.060 ( -1.610 1.176 -3.420) 3.959 4.152 ( -6.330 -1.669 -5.100) 8.299 4.152 ( -6.330 1.669 -5.100) 8.299 4.322 ( -1.294 -5.784 -1.683) 6.161 4.322 ( -1.294 5.784 -1.683) 6.161 4.465 ( -1.560 -1.379 -4.951) 5.371 4.465 ( -1.560 1.379 -4.951) 5.371 4.555 ( -6.865 -1.998 1.629) 7.333 4.555 ( -6.865 1.998 1.629) 7.333 4.750 ( -3.667 -4.389 4.684) 7.393 4.750 ( -3.667 4.389 4.684) 7.393 4.912 ( -5.994 -1.651 -1.396) 6.372 4.912 ( -5.994 1.651 -1.396) 6.372 5.199 ( -14.621 -5.015 3.738) 15.903 5.199 ( -14.621 5.015 3.738) 15.903 5.410 ( 0.704 -0.845 4.076) 4.222 5.410 ( 0.704 0.845 4.076) 4.222 5.791 ( -8.453 -2.531 6.812) 11.147 5.791 ( -8.453 2.531 6.812) 11.147 5.978 ( 0.710 -0.216 1.890) 2.031 5.978 ( 0.710 0.216 1.890) 2.031 6.411 ( 1.540 -0.840 1.418) 2.256 6.411 ( 1.540 0.840 1.418) 2.256 6.561 ( 0.037 -0.321 2.078) 2.103 6.561 ( 0.037 0.321 2.078) 2.103 6.722 ( -0.453 -4.841 1.650) 5.134 6.722 ( -0.453 4.841 1.650) 5.134 7.317 ( 4.991 -3.067 -5.588) 8.096 7.317 ( 4.991 3.067 -5.588) 8.096 7.468 ( 0.451 -2.148 0.847) 2.352 7.468 ( 0.451 2.148 0.847) 2.352 7.861 ( 10.808 -2.094 -3.392) 11.520 7.861 ( 10.808 2.094 -3.392) 11.520 8.100 ( 4.481 -2.626 -6.959) 8.684 8.100 ( 4.481 2.626 -6.959) 8.684 8.255 ( 3.174 -3.199 -2.690) 5.248 8.255 ( 3.174 3.199 -2.690) 5.248 8.466 ( -3.187 -4.066 -0.124) 5.168 8.466 ( -3.187 4.066 -0.124) 5.168 8.661 ( 1.600 -0.996 -0.515) 1.953 8.661 ( 1.600 0.996 -0.515) 1.953 9.284 ( -10.530 -5.114 -5.501) 12.934 9.284 ( -10.530 5.114 -5.501) 12.934 9.947 ( 9.890 -0.572 6.347) 11.765 9.947 ( 9.890 0.572 6.347) 11.765 10.233 ( -0.977 -0.665 5.787) 5.906 10.233 ( -0.977 0.665 5.787) 5.906 10.517 ( 14.173 -3.212 0.774) 14.553 10.517 ( 14.173 3.212 0.774) 14.553 10.991 ( 24.903 -0.313 12.407) 27.825 10.991 ( 24.903 0.313 12.407) 27.825 11.217 ( 0.862 -2.404 4.860) 5.490 11.217 ( 0.862 2.404 4.860) 5.490 12.866 ( -25.442 -1.265 18.751) 31.631 12.866 ( -25.442 1.265 18.751) 31.631 15.892 ( 9.803 -26.331 -1.519) 28.137 15.892 ( 9.803 26.331 -1.519) 28.137 16.846 ( 13.900 -17.541 1.343) 22.421 16.846 ( 13.900 17.541 1.343) 22.421 21.165 ( -1.195 -4.364 0.536) 4.556 21.165 ( -1.195 4.364 0.536) 4.556 22.426 ( 7.345 -1.705 -0.468) 7.555 22.426 ( 7.345 1.705 -0.468) 7.555 22.732 ( -12.631 -14.925 -7.662) 21.000 22.732 ( -12.631 14.925 -7.662) 21.000 22.833 ( -6.018 -3.790 -3.450) 7.905 22.833 ( -6.018 3.790 -3.450) 7.905 ======================= Grid point 71 (30/75) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -0.392 -4.225 -0.301) 4.253 1.388 ( -0.392 4.225 -0.301) 4.253 2.034 ( 7.076 -3.221 1.354) 7.891 2.034 ( 7.076 3.221 1.354) 7.891 2.250 ( 9.115 -6.650 -5.772) 12.673 2.250 ( 9.115 6.650 -5.772) 12.673 2.507 ( -9.494 -5.523 -6.131) 12.579 2.507 ( -9.494 5.523 -6.131) 12.579 2.902 ( 5.173 -0.965 12.445) 13.511 2.902 ( 5.173 0.965 12.445) 13.511 3.102 ( 0.520 -1.719 8.007) 8.206 3.102 ( 0.520 1.719 8.007) 8.206 3.422 ( 14.384 -4.398 -12.758) 19.723 3.422 ( 14.384 4.398 -12.758) 19.723 3.742 ( -14.546 -2.434 -17.140) 22.612 3.742 ( -14.546 2.434 -17.140) 22.612 4.054 ( 0.192 -2.079 0.241) 2.102 4.054 ( 0.192 2.079 0.241) 2.102 4.129 ( 2.323 -0.769 -0.232) 2.458 4.129 ( 2.323 0.769 -0.232) 2.458 4.294 ( -0.678 -3.525 -0.252) 3.599 4.294 ( -0.678 3.525 -0.252) 3.599 4.399 ( -3.909 -2.139 -2.613) 5.166 4.399 ( -3.909 2.139 -2.613) 5.166 4.512 ( 1.269 -3.159 -5.460) 6.434 4.512 ( 1.269 3.159 -5.460) 6.434 4.721 ( -0.478 -3.633 4.719) 5.975 4.721 ( -0.478 3.633 4.719) 5.975 4.835 ( -1.573 -7.343 1.870) 7.739 4.835 ( -1.573 7.343 1.870) 7.739 4.944 ( -9.925 -3.961 7.129) 12.846 4.944 ( -9.925 3.961 7.129) 12.846 5.484 ( 6.221 -2.849 6.538) 9.464 5.484 ( 6.221 2.849 6.538) 9.464 5.627 ( -8.480 -3.346 7.696) 11.930 5.627 ( -8.480 3.346 7.696) 11.930 5.991 ( 0.462 -0.224 1.646) 1.724 5.991 ( 0.462 0.224 1.646) 1.724 6.430 ( 0.420 -0.581 0.806) 1.079 6.430 ( 0.420 0.581 0.806) 1.079 6.553 ( -0.351 -0.644 2.345) 2.457 6.553 ( -0.351 0.644 2.345) 2.457 6.726 ( 0.401 -1.653 1.317) 2.151 6.726 ( 0.401 1.653 1.317) 2.151 7.394 ( 2.967 -2.169 -2.882) 4.670 7.394 ( 2.967 2.169 -2.882) 4.670 7.457 ( -1.336 -1.947 -0.024) 2.362 7.457 ( -1.336 1.947 -0.024) 2.362 8.044 ( 6.987 -2.496 -3.212) 8.085 8.044 ( 6.987 2.496 -3.212) 8.085 8.177 ( 3.424 -2.568 -6.337) 7.647 8.177 ( 3.424 2.568 -6.337) 7.647 8.253 ( -1.401 -3.291 -3.818) 5.231 8.253 ( -1.401 3.291 -3.818) 5.231 8.368 ( -6.007 -2.572 -2.306) 6.930 8.368 ( -6.007 2.572 -2.306) 6.930 8.806 ( 11.397 -3.055 -3.672) 12.357 8.806 ( 11.397 3.055 -3.672) 12.357 9.064 ( -12.130 -4.576 -5.063) 13.918 9.064 ( -12.130 4.576 -5.063) 13.918 10.072 ( 3.522 -0.421 4.710) 5.896 10.072 ( 3.522 0.421 4.710) 5.896 10.206 ( -1.302 -0.318 6.176) 6.320 10.206 ( -1.302 0.318 6.176) 6.320 10.764 ( 10.478 -2.006 2.459) 10.947 10.764 ( 10.478 2.006 2.459) 10.947 11.051 ( -6.255 -1.290 0.469) 6.404 11.051 ( -6.255 1.290 0.469) 6.404 11.677 ( 34.552 -0.815 20.045) 39.954 11.677 ( 34.552 0.815 20.045) 39.954 12.319 ( -32.001 -0.966 20.008) 37.753 12.319 ( -32.001 0.966 20.008) 37.753 16.000 ( 2.501 -7.941 -2.752) 8.769 16.000 ( 2.501 7.941 -2.752) 8.769 17.023 ( 4.619 -7.334 -0.427) 8.678 17.023 ( 4.619 7.334 -0.427) 8.678 21.147 ( -0.556 -1.467 -0.690) 1.714 21.147 ( -0.556 1.467 -0.690) 1.714 22.532 ( 2.520 -8.198 -3.855) 9.403 22.532 ( 2.520 8.198 -3.855) 9.403 22.585 ( -2.287 -3.994 -3.535) 5.803 22.585 ( -2.287 3.994 -3.535) 5.803 22.737 ( -3.727 -2.356 -2.718) 5.180 22.737 ( -3.727 2.356 -2.718) 5.180 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 0.000 0.000 18.217) 18.217 1.160 ( 0.000 0.000 25.869) 25.869 1.514 ( 0.000 0.000 34.332) 34.332 1.709 ( 0.000 0.000 20.669) 20.669 1.739 ( 0.000 0.000 16.223) 16.223 1.782 ( 0.000 0.000 -10.197) 10.197 2.232 ( 0.000 0.000 -10.829) 10.829 2.365 ( 0.000 0.000 -15.473) 15.473 2.668 ( 0.000 0.000 -1.592) 1.592 2.860 ( 0.000 0.000 15.545) 15.545 3.003 ( 0.000 0.000 0.276) 0.276 3.281 ( 0.000 0.000 11.714) 11.714 3.528 ( 0.000 0.000 -9.460) 9.460 3.549 ( 0.000 0.000 -5.160) 5.160 3.613 ( 0.000 0.000 -5.155) 5.155 3.869 ( 0.000 0.000 14.156) 14.156 4.039 ( 0.000 0.000 1.487) 1.487 4.119 ( 0.000 0.000 -11.673) 11.673 4.190 ( 0.000 0.000 -1.195) 1.195 4.220 ( 0.000 0.000 17.707) 17.707 4.229 ( 0.000 0.000 -3.119) 3.119 4.271 ( 0.000 0.000 -3.019) 3.019 4.544 ( 0.000 0.000 -8.238) 8.238 4.552 ( 0.000 0.000 -0.186) 0.186 4.714 ( 0.000 0.000 -1.801) 1.801 4.719 ( 0.000 0.000 4.525) 4.525 4.980 ( 0.000 0.000 2.519) 2.519 5.205 ( 0.000 0.000 -2.499) 2.499 5.270 ( 0.000 0.000 5.091) 5.091 5.413 ( 0.000 0.000 -9.123) 9.123 5.446 ( 0.000 0.000 -0.841) 0.841 5.662 ( 0.000 0.000 -7.008) 7.008 5.690 ( 0.000 0.000 -1.815) 1.815 5.877 ( 0.000 0.000 -8.525) 8.525 5.886 ( 0.000 0.000 -10.963) 10.963 5.948 ( 0.000 0.000 -3.731) 3.731 6.159 ( 0.000 0.000 2.098) 2.098 6.162 ( 0.000 0.000 3.986) 3.986 6.257 ( 0.000 0.000 2.601) 2.601 6.261 ( 0.000 0.000 3.495) 3.495 6.463 ( 0.000 0.000 -6.648) 6.648 6.538 ( 0.000 0.000 0.234) 0.234 6.588 ( 0.000 0.000 -3.407) 3.407 6.601 ( 0.000 0.000 -5.104) 5.104 6.767 ( 0.000 0.000 0.488) 0.488 7.122 ( 0.000 0.000 7.011) 7.011 7.274 ( 0.000 0.000 1.037) 1.037 7.360 ( 0.000 0.000 -1.890) 1.890 7.540 ( 0.000 0.000 0.429) 0.429 7.592 ( 0.000 0.000 1.099) 1.099 7.859 ( 0.000 0.000 3.980) 3.980 8.034 ( 0.000 0.000 -0.609) 0.609 8.072 ( 0.000 0.000 10.728) 10.728 8.429 ( 0.000 0.000 3.299) 3.299 8.604 ( 0.000 0.000 -2.171) 2.171 8.665 ( 0.000 0.000 -8.608) 8.608 8.965 ( 0.000 0.000 16.899) 16.899 9.031 ( 0.000 0.000 14.712) 14.712 9.192 ( 0.000 0.000 -3.811) 3.811 9.332 ( 0.000 0.000 -8.462) 8.462 9.424 ( 0.000 0.000 11.970) 11.970 9.642 ( 0.000 0.000 16.972) 16.972 9.750 ( 0.000 0.000 5.095) 5.095 10.047 ( 0.000 0.000 3.606) 3.606 10.257 ( 0.000 0.000 2.321) 2.321 10.430 ( 0.000 0.000 2.835) 2.835 10.448 ( 0.000 0.000 20.377) 20.377 10.613 ( 0.000 0.000 12.337) 12.337 11.061 ( 0.000 0.000 -8.086) 8.086 11.112 ( 0.000 0.000 -7.780) 7.780 13.331 ( 0.000 0.000 -17.496) 17.496 13.344 ( 0.000 0.000 -17.674) 17.674 14.354 ( 0.000 0.000 34.331) 34.331 15.866 ( 0.000 0.000 -4.547) 4.547 16.891 ( 0.000 0.000 20.032) 20.032 19.414 ( 0.000 0.000 -23.817) 23.817 20.621 ( 0.000 0.000 1.836) 1.836 20.883 ( 0.000 0.000 -2.410) 2.410 21.691 ( 0.000 0.000 15.205) 15.205 22.151 ( 0.000 0.000 10.444) 10.444 22.311 ( 0.000 0.000 6.709) 6.709 22.933 ( 0.000 0.000 -5.415) 5.415 22.988 ( 0.000 0.000 -5.864) 5.864 23.612 ( 0.000 0.000 -20.011) 20.011 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 11.852 0.000 16.758) 20.525 1.007 ( -5.518 0.000 26.026) 26.604 1.494 ( -7.564 0.000 17.738) 19.283 1.756 ( 15.847 0.000 6.990) 17.321 1.975 ( 17.530 0.000 7.651) 19.127 2.028 ( 15.307 0.000 6.684) 16.703 2.170 ( -3.441 0.000 -6.754) 7.580 2.417 ( 5.678 0.000 -8.482) 10.207 2.678 ( 0.102 0.000 -3.750) 3.751 2.858 ( 0.743 0.000 17.016) 17.032 3.003 ( -0.760 0.000 -0.853) 1.143 3.074 ( -18.618 0.000 13.767) 23.156 3.477 ( -6.369 0.000 -3.579) 7.305 3.514 ( -1.703 0.000 -8.293) 8.466 3.639 ( 1.625 0.000 -5.617) 5.847 3.851 ( -1.197 0.000 5.535) 5.663 3.993 ( -4.989 0.000 0.187) 4.993 4.064 ( -5.045 0.000 -5.617) 7.550 4.176 ( 0.627 0.000 -0.123) 0.640 4.200 ( -0.191 0.000 3.545) 3.550 4.316 ( 2.071 0.000 0.167) 2.078 4.327 ( 5.898 0.000 4.411) 7.365 4.519 ( -2.818 0.000 -7.696) 8.196 4.540 ( -0.326 0.000 1.327) 1.366 4.625 ( -7.953 0.000 -2.429) 8.316 4.737 ( 1.074 0.000 1.457) 1.810 4.922 ( -6.037 0.000 2.648) 6.592 5.161 ( -4.121 0.000 -1.952) 4.560 5.275 ( 0.279 0.000 2.035) 2.054 5.360 ( -10.781 0.000 -1.446) 10.877 5.411 ( -1.604 0.000 -5.217) 5.458 5.456 ( -11.178 0.000 -4.249) 11.959 5.565 ( -9.565 0.000 -6.376) 11.495 5.837 ( -0.772 0.000 -4.841) 4.902 5.852 ( -8.103 0.000 -2.959) 8.626 6.103 ( 8.978 0.000 -3.057) 9.484 6.147 ( -0.288 0.000 3.499) 3.510 6.160 ( -2.863 0.000 6.349) 6.964 6.250 ( 3.863 0.000 2.175) 4.433 6.318 ( 3.345 0.000 3.493) 4.837 6.491 ( -1.732 0.000 -0.945) 1.973 6.550 ( 6.402 0.000 -10.331) 12.154 6.632 ( 6.008 0.000 -4.564) 7.545 6.671 ( 0.986 0.000 8.245) 8.304 6.873 ( 12.523 0.000 -11.042) 16.695 7.093 ( -2.730 0.000 7.862) 8.323 7.309 ( 3.015 0.000 1.277) 3.274 7.392 ( 3.148 0.000 -1.919) 3.687 7.537 ( -0.105 0.000 0.197) 0.223 7.559 ( -0.904 0.000 0.978) 1.332 7.881 ( 0.134 0.000 -2.923) 2.926 8.012 ( -4.231 0.000 6.078) 7.406 8.047 ( 2.859 0.000 2.648) 3.897 8.400 ( -2.530 0.000 5.878) 6.400 8.566 ( -6.872 0.000 0.086) 6.872 8.654 ( -1.828 0.000 -4.907) 5.237 8.771 ( -8.847 0.000 8.415) 12.210 8.906 ( -4.224 0.000 3.332) 5.380 9.310 ( -1.484 0.000 0.321) 1.518 9.374 ( 2.279 0.000 -1.653) 2.816 9.626 ( 17.373 0.000 7.917) 19.092 9.743 ( 8.913 0.000 14.938) 17.395 9.928 ( 17.432 0.000 1.972) 17.543 10.017 ( -0.083 0.000 3.986) 3.987 10.315 ( 3.981 0.000 4.074) 5.696 10.415 ( -1.280 0.000 3.034) 3.294 10.554 ( 11.721 0.000 23.173) 25.969 10.681 ( 7.583 0.000 15.131) 16.925 11.082 ( 1.951 0.000 -7.011) 7.277 11.167 ( 4.749 0.000 -5.748) 7.456 13.421 ( 5.578 0.000 -13.646) 14.742 13.437 ( 7.644 0.000 -13.391) 15.420 14.408 ( 7.076 0.000 29.700) 30.531 15.960 ( 9.706 0.000 -5.569) 11.190 16.829 ( -6.424 0.000 18.935) 19.995 19.079 ( -28.678 0.000 -17.488) 33.589 20.650 ( 3.048 0.000 2.278) 3.805 21.085 ( 16.634 0.000 -8.011) 18.462 21.647 ( -4.415 0.000 14.580) 15.233 22.190 ( 4.054 0.000 8.365) 9.296 22.343 ( 3.212 0.000 5.698) 6.541 22.895 ( -3.992 0.000 -5.600) 6.878 22.960 ( -2.899 0.000 -5.836) 6.517 23.517 ( -9.488 0.000 -18.211) 20.535 ======================= Grid point 92 (33/75) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 12.881 0.000 11.330) 17.155 1.167 ( 16.016 0.000 14.761) 21.781 1.468 ( 4.790 0.000 8.175) 9.475 1.990 ( -6.384 0.000 -11.391) 13.058 2.056 ( 14.200 0.000 -3.897) 14.725 2.280 ( 11.596 0.000 -13.189) 17.562 2.458 ( 21.689 0.000 23.630) 32.075 2.530 ( 1.532 0.000 7.467) 7.622 2.686 ( 4.440 0.000 -5.278) 6.897 2.689 ( -18.663 0.000 11.181) 21.756 2.912 ( 4.557 0.000 14.188) 14.902 2.952 ( -4.304 0.000 -5.587) 7.052 3.350 ( -5.942 0.000 2.029) 6.279 3.461 ( -3.390 0.000 -4.274) 5.456 3.672 ( 2.117 0.000 -5.665) 6.048 3.815 ( -3.237 0.000 -1.939) 3.774 3.921 ( -1.615 0.000 2.326) 2.832 3.965 ( -5.661 0.000 -11.003) 12.373 4.163 ( -2.499 0.000 -2.300) 3.397 4.167 ( -5.251 0.000 1.923) 5.592 4.329 ( -0.018 0.000 -3.861) 3.861 4.357 ( -1.785 0.000 1.315) 2.217 4.441 ( -3.636 0.000 -8.225) 8.993 4.503 ( -3.622 0.000 0.651) 3.680 4.560 ( 0.134 0.000 2.394) 2.398 4.767 ( 2.899 0.000 4.134) 5.049 4.778 ( -8.574 0.000 1.215) 8.659 5.024 ( -10.516 0.000 -4.304) 11.363 5.063 ( -16.966 0.000 -1.498) 17.032 5.239 ( -4.495 0.000 -1.888) 4.875 5.344 ( -12.242 0.000 -4.406) 13.011 5.370 ( -0.306 0.000 -0.760) 0.819 5.409 ( 2.897 0.000 5.826) 6.506 5.641 ( -13.187 0.000 -0.134) 13.188 5.877 ( 3.631 0.000 -0.608) 3.682 6.096 ( -2.943 0.000 11.589) 11.957 6.154 ( 0.582 0.000 2.879) 2.938 6.201 ( 2.168 0.000 -1.316) 2.536 6.326 ( 2.358 0.000 0.391) 2.390 6.344 ( -0.678 0.000 7.121) 7.154 6.471 ( -0.567 0.000 1.511) 1.614 6.634 ( 3.459 0.000 -1.188) 3.657 6.654 ( -1.587 0.000 8.947) 9.086 6.834 ( 11.768 0.000 -12.069) 16.856 7.043 ( -1.553 0.000 6.291) 6.480 7.139 ( 12.816 0.000 -12.310) 17.770 7.374 ( 3.750 0.000 1.998) 4.249 7.460 ( 4.118 0.000 -0.360) 4.134 7.569 ( 4.239 0.000 -2.021) 4.696 7.612 ( 6.196 0.000 -4.024) 7.388 7.862 ( -0.676 0.000 -4.271) 4.325 7.964 ( -0.758 0.000 1.533) 1.710 8.129 ( 4.058 0.000 -0.639) 4.108 8.366 ( -0.559 0.000 0.819) 0.992 8.402 ( -7.023 0.000 2.055) 7.317 8.591 ( -3.950 0.000 -3.572) 5.326 8.683 ( -4.283 0.000 2.373) 4.897 8.822 ( -5.200 0.000 -3.507) 6.272 9.185 ( -9.889 0.000 -1.115) 9.951 9.353 ( -5.078 0.000 -6.365) 8.142 9.926 ( 12.318 0.000 8.917) 15.207 9.949 ( 11.591 0.000 9.757) 15.151 10.136 ( 12.182 0.000 3.215) 12.599 10.281 ( 18.415 0.000 1.667) 18.490 10.385 ( 4.177 0.000 8.262) 9.258 10.392 ( -1.097 0.000 4.212) 4.353 10.899 ( 24.205 0.000 27.480) 36.620 10.917 ( 16.823 0.000 19.201) 25.528 11.119 ( 1.708 0.000 -3.663) 4.042 11.266 ( 6.470 0.000 1.730) 6.698 13.430 ( -6.451 0.000 2.943) 7.091 13.492 ( -3.569 0.000 1.173) 3.757 14.674 ( 20.894 0.000 13.793) 25.036 16.217 ( 16.941 0.000 -8.302) 18.865 16.652 ( -12.071 0.000 15.955) 20.007 18.506 ( -30.013 0.000 -17.145) 34.565 20.733 ( 5.652 0.000 3.477) 6.636 21.411 ( 17.235 0.000 -10.184) 20.019 21.533 ( -7.451 0.000 13.075) 15.049 22.296 ( 6.871 0.000 3.649) 7.779 22.419 ( 4.479 0.000 3.042) 5.414 22.784 ( -7.698 0.000 -6.249) 9.915 22.885 ( -4.851 0.000 -5.700) 7.485 23.286 ( -13.941 0.000 -14.410) 20.050 ======================= Grid point 93 (34/75) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 19.791 0.000 -0.389) 19.795 1.472 ( 15.759 0.000 13.109) 20.499 1.640 ( 11.813 0.000 -1.089) 11.864 1.878 ( -4.772 0.000 -9.855) 10.950 2.130 ( -9.248 0.000 8.358) 12.465 2.401 ( -3.576 0.000 -2.997) 4.666 2.430 ( -7.340 0.000 -5.410) 9.118 2.536 ( 4.691 0.000 -9.857) 10.916 2.778 ( 3.161 0.000 -8.802) 9.352 2.806 ( 12.948 0.000 10.350) 16.576 2.977 ( 10.476 0.000 0.661) 10.497 3.049 ( 10.661 0.000 10.543) 14.994 3.272 ( -2.434 0.000 9.378) 9.689 3.421 ( -0.646 0.000 3.695) 3.751 3.704 ( -5.665 0.000 -9.209) 10.812 3.734 ( 1.236 0.000 -2.699) 2.969 3.771 ( -15.979 0.000 -18.425) 24.388 3.921 ( 0.668 0.000 0.294) 0.730 4.077 ( -1.025 0.000 1.326) 1.677 4.105 ( -2.125 0.000 -2.117) 2.999 4.320 ( -2.032 0.000 0.792) 2.181 4.339 ( 0.672 0.000 -1.651) 1.782 4.406 ( -1.056 0.000 -4.968) 5.080 4.481 ( 0.908 0.000 -0.997) 1.348 4.516 ( -3.520 0.000 -2.519) 4.329 4.605 ( -9.414 0.000 -2.022) 9.629 4.738 ( -12.346 0.000 -0.291) 12.349 4.804 ( -11.326 0.000 -2.664) 11.635 4.847 ( 0.632 0.000 6.314) 6.346 5.121 ( -7.515 0.000 -5.882) 9.543 5.150 ( -7.328 0.000 -1.424) 7.465 5.357 ( -12.665 0.000 1.160) 12.718 5.460 ( 5.999 0.000 6.116) 8.567 5.511 ( 7.299 0.000 12.652) 14.606 5.926 ( 0.218 0.000 4.405) 4.410 6.021 ( -5.643 0.000 12.882) 14.063 6.156 ( -0.184 0.000 3.351) 3.356 6.227 ( 1.162 0.000 -0.645) 1.329 6.293 ( -4.034 0.000 10.322) 11.082 6.335 ( -1.028 0.000 0.423) 1.111 6.484 ( 2.106 0.000 2.286) 3.108 6.626 ( -1.521 0.000 5.373) 5.584 6.705 ( 4.200 0.000 1.459) 4.447 6.924 ( -1.665 0.000 1.393) 2.171 7.116 ( 8.199 0.000 -6.113) 10.227 7.309 ( 6.064 0.000 -6.564) 8.936 7.424 ( 0.326 0.000 0.848) 0.908 7.541 ( 2.076 0.000 0.401) 2.114 7.700 ( 9.872 0.000 -5.325) 11.217 7.766 ( 9.437 0.000 -6.691) 11.568 7.902 ( 5.530 0.000 -6.716) 8.700 7.969 ( 0.832 0.000 -0.648) 1.055 8.147 ( -2.144 0.000 -2.572) 3.348 8.351 ( 0.867 0.000 -1.698) 1.907 8.357 ( -1.260 0.000 -10.404) 10.480 8.560 ( 0.817 0.000 -4.154) 4.233 8.577 ( -6.032 0.000 1.420) 6.197 8.709 ( -5.035 0.000 -3.857) 6.343 8.971 ( -12.222 0.000 -2.818) 12.542 9.204 ( -9.910 0.000 -8.601) 13.122 10.116 ( 8.332 0.000 8.496) 11.899 10.140 ( 8.218 0.000 6.478) 10.464 10.308 ( 3.279 0.000 3.520) 4.811 10.370 ( -1.372 0.000 5.266) 5.442 10.544 ( 13.273 0.000 9.451) 16.294 10.606 ( 15.717 0.000 2.362) 15.894 11.095 ( -2.385 0.000 -0.460) 2.429 11.132 ( 1.721 0.000 2.858) 3.336 11.475 ( 33.194 0.000 30.270) 44.923 11.579 ( 29.180 0.000 27.132) 39.845 13.179 ( -19.386 0.000 17.451) 26.084 13.286 ( -17.897 0.000 16.616) 24.421 15.133 ( 25.757 0.000 3.990) 26.064 16.379 ( -16.668 0.000 11.792) 20.417 16.582 ( 21.187 0.000 -12.053) 24.375 17.964 ( -27.359 0.000 -19.323) 33.495 20.860 ( 7.642 0.000 5.165) 9.224 21.374 ( -9.114 0.000 11.178) 14.423 21.735 ( 16.968 0.000 -9.977) 19.684 22.437 ( 7.528 0.000 -1.391) 7.656 22.505 ( 4.528 0.000 -0.130) 4.530 22.605 ( -10.839 0.000 -7.151) 12.985 22.785 ( -5.480 0.000 -5.308) 7.629 23.022 ( -13.335 0.000 -10.411) 16.918 ======================= Grid point 94 (35/75) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 11.446 0.000 11.503) 16.227 1.747 ( 11.213 0.000 0.544) 11.226 1.822 ( -1.215 0.000 -3.482) 3.688 1.826 ( 4.385 0.000 1.042) 4.507 1.979 ( 0.630 0.000 -2.239) 2.326 2.203 ( -15.325 0.000 -8.696) 17.620 2.327 ( 0.200 0.000 -3.457) 3.463 2.458 ( -10.411 0.000 -13.490) 17.040 2.995 ( 18.129 0.000 -17.791) 25.400 3.114 ( 16.118 0.000 3.691) 16.536 3.162 ( 6.869 0.000 4.812) 8.387 3.244 ( 5.795 0.000 2.873) 6.468 3.247 ( 0.534 0.000 10.883) 10.896 3.377 ( -7.410 0.000 4.416) 8.626 3.442 ( -12.756 0.000 -9.760) 16.062 3.485 ( -15.441 0.000 -9.427) 18.091 3.815 ( 5.021 0.000 -4.243) 6.574 3.901 ( -3.343 0.000 -2.969) 4.471 4.137 ( 5.483 0.000 -0.574) 5.513 4.137 ( 7.079 0.000 -1.457) 7.228 4.255 ( -5.423 0.000 -0.185) 5.426 4.306 ( -8.075 0.000 -0.554) 8.094 4.386 ( 1.559 0.000 0.024) 1.559 4.442 ( -3.956 0.000 -4.342) 5.874 4.475 ( 0.220 0.000 -1.993) 2.005 4.540 ( -6.940 0.000 0.271) 6.945 4.545 ( 3.179 0.000 -3.223) 4.527 4.633 ( -6.516 0.000 -1.950) 6.802 4.910 ( 6.219 0.000 5.049) 8.010 5.022 ( -2.162 0.000 -4.887) 5.343 5.042 ( -3.938 0.000 -2.857) 4.865 5.095 ( -12.834 0.000 3.867) 13.403 5.653 ( 11.878 0.000 9.622) 15.286 5.674 ( 9.588 0.000 14.796) 17.631 5.849 ( -7.877 0.000 12.120) 14.455 5.870 ( -10.231 0.000 11.686) 15.532 6.172 ( 2.092 0.000 4.143) 4.641 6.223 ( -3.135 0.000 6.795) 7.483 6.257 ( 2.105 0.000 0.547) 2.175 6.301 ( -2.283 0.000 0.931) 2.465 6.537 ( 3.062 0.000 2.717) 4.094 6.590 ( -2.388 0.000 3.434) 4.183 6.789 ( 4.443 0.000 2.443) 5.070 6.867 ( -3.757 0.000 2.922) 4.759 7.262 ( 6.919 0.000 -5.165) 8.635 7.376 ( -4.828 0.000 -2.379) 5.383 7.416 ( 5.672 0.000 -2.743) 6.301 7.514 ( -4.083 0.000 -0.153) 4.086 7.888 ( 8.033 0.000 -5.454) 9.710 7.935 ( 7.458 0.000 -6.845) 10.123 7.972 ( -1.303 0.000 -2.192) 2.550 8.019 ( 1.242 0.000 -7.028) 7.137 8.127 ( 5.050 0.000 -3.021) 5.884 8.298 ( -8.402 0.000 -4.499) 9.530 8.355 ( 2.726 0.000 -11.986) 12.292 8.472 ( -8.324 0.000 -9.653) 12.746 8.562 ( 6.092 0.000 -0.435) 6.107 8.741 ( -11.549 0.000 -3.049) 11.944 8.780 ( 10.229 0.000 -4.943) 11.361 8.996 ( -11.714 0.000 -8.095) 14.239 10.244 ( 5.185 0.000 7.791) 9.358 10.262 ( 4.912 0.000 5.996) 7.751 10.311 ( -1.948 0.000 6.569) 6.852 10.333 ( -2.704 0.000 5.932) 6.519 10.802 ( 12.592 0.000 6.008) 13.952 10.874 ( 12.429 0.000 2.496) 12.677 10.998 ( -7.823 0.000 2.712) 8.280 11.065 ( -7.401 0.000 1.577) 7.567 12.123 ( 33.945 0.000 29.527) 44.990 12.215 ( 34.987 0.000 30.866) 46.656 12.721 ( -28.465 0.000 25.374) 38.133 12.834 ( -29.183 0.000 26.620) 39.501 15.607 ( 23.833 0.000 3.665) 24.113 16.027 ( -20.471 0.000 7.258) 21.719 17.007 ( 23.476 0.000 -15.973) 28.395 17.467 ( -25.208 0.000 -18.869) 31.488 21.019 ( 8.988 0.000 7.103) 11.456 21.195 ( -9.559 0.000 9.143) 13.228 22.051 ( 16.341 0.000 -9.623) 18.963 22.346 ( -14.400 0.000 -9.077) 17.022 22.591 ( 4.639 0.000 -2.747) 5.391 22.610 ( 8.770 0.000 -4.214) 9.730 22.683 ( -5.147 0.000 -4.423) 6.787 22.794 ( -10.741 0.000 -7.091) 12.871 ======================= Grid point 99 (36/75) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 8.610 15.274) 17.533 1.259 ( 0.000 8.750 24.191) 25.725 1.528 ( 0.000 -15.838 13.361) 20.721 1.665 ( 0.000 -6.726 17.345) 18.603 1.731 ( 0.000 16.743 28.366) 32.939 1.883 ( 0.000 8.636 -11.032) 14.010 2.216 ( 0.000 -2.841 0.779) 2.946 2.289 ( 0.000 -6.999 -15.844) 17.322 2.659 ( 0.000 -0.358 1.553) 1.594 2.787 ( 0.000 -5.841 12.977) 14.231 3.017 ( 0.000 1.476 -0.642) 1.610 3.262 ( 0.000 -11.899 -6.189) 13.413 3.334 ( 0.000 4.721 8.048) 9.331 3.533 ( 0.000 -2.165 -3.537) 4.147 3.898 ( 0.000 7.216 -0.924) 7.275 3.945 ( 0.000 12.771 7.829) 14.980 3.996 ( 0.000 -1.692 0.139) 1.698 4.098 ( 0.000 -4.147 -5.122) 6.590 4.106 ( 0.000 -5.147 11.572) 12.665 4.214 ( 0.000 3.670 -3.962) 5.400 4.296 ( 0.000 0.904 -2.380) 2.546 4.330 ( 0.000 5.492 0.240) 5.498 4.468 ( 0.000 -8.706 -0.534) 8.722 4.555 ( 0.000 -2.504 -3.286) 4.132 4.660 ( 0.000 5.430 -2.811) 6.114 4.846 ( 0.000 3.374 3.264) 4.695 5.014 ( 0.000 3.545 1.750) 3.953 5.155 ( 0.000 -3.265 -1.610) 3.641 5.239 ( 0.000 -2.931 4.412) 5.297 5.301 ( 0.000 -8.099 -1.755) 8.287 5.507 ( 0.000 4.668 -10.365) 11.368 5.673 ( 0.000 -1.594 -4.814) 5.071 5.734 ( 0.000 4.896 -4.544) 6.679 5.778 ( 0.000 -5.995 -6.390) 8.762 5.784 ( 0.000 -6.460 -6.184) 8.943 5.918 ( 0.000 -2.850 -3.448) 4.473 6.258 ( 0.000 1.839 1.813) 2.583 6.260 ( 0.000 7.558 -0.919) 7.613 6.279 ( 0.000 7.568 -0.266) 7.573 6.330 ( 0.000 4.939 2.369) 5.477 6.451 ( 0.000 -1.462 -6.272) 6.440 6.453 ( 0.000 -5.868 -0.517) 5.890 6.558 ( 0.000 -4.048 -5.051) 6.473 6.559 ( 0.000 -3.604 -3.706) 5.169 6.845 ( 0.000 6.125 2.773) 6.724 7.086 ( 0.000 -3.542 5.934) 6.911 7.306 ( 0.000 2.929 0.786) 3.032 7.395 ( 0.000 3.096 -0.579) 3.150 7.484 ( 0.000 -4.480 0.189) 4.484 7.552 ( 0.000 -3.369 1.347) 3.629 7.907 ( 0.000 3.623 7.044) 7.921 8.032 ( 0.000 -1.586 8.700) 8.843 8.132 ( 0.000 7.086 -1.373) 7.217 8.463 ( 0.000 3.070 2.354) 3.869 8.560 ( 0.000 -9.136 -7.433) 11.777 8.598 ( 0.000 -1.120 -3.286) 3.471 8.937 ( 0.000 -0.989 19.857) 19.881 9.018 ( 0.000 -1.788 16.015) 16.114 9.220 ( 0.000 2.308 -4.777) 5.306 9.312 ( 0.000 -1.673 -7.560) 7.743 9.471 ( 0.000 3.734 12.057) 12.622 9.612 ( 0.000 -2.539 15.831) 16.034 9.806 ( 0.000 4.772 4.323) 6.439 10.012 ( 0.000 -3.342 3.514) 4.850 10.291 ( 0.000 2.804 2.691) 3.887 10.397 ( 0.000 -2.035 6.759) 7.059 10.483 ( 0.000 2.204 15.422) 15.578 10.591 ( 0.000 -2.096 12.890) 13.059 11.072 ( 0.000 0.975 -8.096) 8.155 11.110 ( 0.000 -0.342 -7.820) 7.827 13.334 ( 0.000 0.262 -17.499) 17.501 13.343 ( 0.000 -0.103 -17.631) 17.631 14.628 ( 0.000 27.501 40.085) 48.612 15.997 ( 0.000 12.179 -1.702) 12.297 16.716 ( 0.000 -15.486 15.309) 21.776 17.401 ( 0.000 -109.972 38.114) 116.389 21.023 ( 0.000 12.282 1.274) 12.348 21.588 ( 0.000 -9.596 13.319) 16.416 22.050 ( 0.000 44.881 -19.775) 49.044 22.215 ( 0.000 14.512 -2.781) 14.776 22.310 ( 0.000 8.681 1.285) 8.775 22.944 ( 0.000 0.943 -5.390) 5.472 22.982 ( 0.000 -0.567 -5.743) 5.771 23.508 ( 0.000 -10.625 -23.974) 26.223 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.11 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 5.781 5.435 16.190) 18.030 1.197 ( -0.547 12.468 19.754) 23.366 1.399 ( -5.693 -9.196 15.600) 18.983 1.790 ( 5.301 -15.133 4.933) 16.776 1.864 ( 10.985 8.807 -0.021) 14.079 2.104 ( 18.899 9.665 12.941) 24.861 2.184 ( 3.067 -2.205 -8.719) 9.502 2.437 ( 11.056 0.027 0.584) 11.072 2.640 ( -2.679 -2.280 0.582) 3.566 2.750 ( -3.241 -7.472 12.191) 14.662 3.043 ( 1.853 2.715 0.857) 3.397 3.146 ( -11.379 4.416 7.018) 14.079 3.317 ( -0.280 -7.433 -1.854) 7.666 3.461 ( -6.870 -3.193 -2.189) 7.885 3.840 ( -5.919 3.948 3.924) 8.125 3.899 ( -0.659 9.780 -7.439) 12.305 3.949 ( -4.421 -2.889 -1.903) 5.614 4.048 ( -2.461 -0.615 0.928) 2.701 4.152 ( 1.584 -2.780 2.974) 4.368 4.231 ( -1.059 2.923 -3.995) 5.062 4.339 ( 1.476 0.642 -2.019) 2.582 4.356 ( 2.483 3.322 2.949) 5.089 4.489 ( 2.178 -6.441 2.405) 7.213 4.515 ( -4.052 -1.734 -5.518) 7.062 4.630 ( -2.101 6.464 -0.438) 6.811 4.820 ( -3.081 3.418 1.644) 4.886 4.938 ( -7.133 1.888 1.325) 7.497 5.105 ( -4.149 -4.913 -1.133) 6.530 5.234 ( -1.536 -3.605 0.603) 3.964 5.268 ( -7.188 -5.995 -0.682) 9.385 5.421 ( -4.866 0.666 -5.152) 7.118 5.447 ( -10.767 -0.766 -4.691) 11.769 5.632 ( -9.095 4.273 -5.188) 11.310 5.787 ( -3.695 -3.482 -2.865) 5.830 5.861 ( 0.092 0.068 -4.232) 4.233 5.965 ( 5.027 -5.700 -1.510) 7.749 6.179 ( -3.288 2.689 2.571) 4.965 6.225 ( -4.832 0.468 4.520) 6.633 6.323 ( 2.782 6.182 2.198) 7.127 6.371 ( 3.550 2.799 -0.157) 4.524 6.477 ( 2.741 -2.351 0.605) 3.661 6.493 ( 2.734 -2.284 -2.087) 4.129 6.605 ( 10.827 1.092 -8.548) 13.838 6.771 ( 11.182 0.598 -3.732) 11.803 6.826 ( 0.720 0.639 -1.428) 1.722 7.057 ( -2.678 -3.738 6.539) 7.994 7.330 ( 2.351 1.813 0.474) 3.007 7.407 ( 0.800 0.148 -0.383) 0.899 7.488 ( 2.962 -0.659 -0.416) 3.063 7.580 ( 1.597 -0.724 0.235) 1.769 7.921 ( 0.536 2.858 0.405) 2.936 7.998 ( -2.368 -0.772 5.541) 6.075 8.103 ( -0.988 5.323 0.972) 5.501 8.372 ( -5.174 -2.973 4.214) 7.305 8.577 ( -4.423 -0.570 -1.201) 4.619 8.609 ( 0.125 -1.983 -4.019) 4.483 8.784 ( -7.855 0.462 7.964) 11.195 8.855 ( -6.664 -3.106 6.597) 9.878 9.341 ( 2.141 2.516 0.796) 3.398 9.402 ( 1.758 1.299 -3.124) 3.813 9.636 ( 14.982 1.512 9.340) 17.719 9.734 ( 10.211 -1.230 13.474) 16.950 9.931 ( 14.442 0.661 2.115) 14.611 10.001 ( 1.862 -1.552 4.051) 4.721 10.332 ( 2.932 1.437 4.093) 5.236 10.398 ( -0.410 -1.440 3.861) 4.141 10.574 ( 10.812 1.719 21.461) 24.092 10.662 ( 7.990 -1.729 16.025) 17.990 11.100 ( 2.601 1.567 -6.856) 7.499 11.161 ( 4.483 -0.674 -5.989) 7.511 13.424 ( 5.847 0.247 -13.580) 14.788 13.435 ( 7.282 -0.176 -13.382) 15.236 14.693 ( 7.787 28.262 33.256) 44.332 16.084 ( 8.939 11.579 -2.259) 14.801 16.632 ( -7.443 -20.391 15.214) 26.508 17.495 ( 7.280 -92.575 23.761) 95.852 21.009 ( -1.401 13.318 0.099) 13.392 21.552 ( -3.647 -8.786 12.498) 15.706 22.023 ( -3.520 55.171 -25.639) 60.939 22.217 ( 1.975 4.277 5.420) 7.181 22.326 ( 2.304 0.476 5.195) 5.703 22.908 ( -3.748 1.126 -5.553) 6.793 22.953 ( -3.020 -0.670 -5.743) 6.523 23.405 ( -10.210 -11.441 -21.321) 26.262 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.22 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 12.472 1.818 10.005) 16.092 1.310 ( 10.887 8.099 10.753) 17.313 1.395 ( 5.455 -5.363 7.677) 10.838 1.821 ( -0.223 -12.742 -2.478) 12.982 2.105 ( 12.611 4.358 -6.945) 15.042 2.285 ( 9.000 -1.205 -16.052) 18.442 2.488 ( 6.160 0.598 12.850) 14.263 2.540 ( -3.545 -1.065 6.514) 7.492 2.621 ( 9.177 3.875 11.150) 14.951 2.745 ( 7.467 -5.839 11.742) 15.091 2.905 ( -9.750 9.696 0.386) 13.756 3.098 ( 0.705 7.017 3.550) 7.895 3.304 ( -2.424 -9.644 -1.725) 10.093 3.335 ( -2.758 -2.556 2.662) 4.607 3.764 ( -2.431 2.013 -4.522) 5.514 3.834 ( -5.909 0.187 -5.539) 8.102 3.906 ( -0.134 4.026 -6.045) 7.265 4.010 ( -1.909 2.497 -2.250) 3.866 4.153 ( -4.502 -1.324 -4.279) 6.351 4.177 ( -1.643 -0.455 0.595) 1.806 4.316 ( -3.970 0.054 -3.017) 4.986 4.357 ( -1.785 1.003 -0.571) 2.126 4.419 ( -3.217 -1.891 -7.360) 8.252 4.483 ( -3.116 -1.046 1.520) 3.622 4.651 ( 0.634 5.663 4.256) 7.113 4.751 ( -1.981 -1.446 2.373) 3.413 4.782 ( -8.525 1.291 -0.545) 8.639 4.955 ( -13.087 -3.957 -3.529) 14.120 5.051 ( -11.437 -2.140 -2.521) 11.905 5.160 ( -4.555 -6.688 0.170) 8.093 5.347 ( -3.857 1.472 0.262) 4.137 5.407 ( 1.476 -0.352 4.030) 4.306 5.441 ( -7.076 4.766 -1.652) 8.690 5.619 ( -11.403 -2.404 -0.620) 11.670 5.896 ( 2.504 1.695 -0.192) 3.030 6.026 ( 1.824 -6.075 0.465) 6.360 6.103 ( -4.641 0.284 9.774) 10.823 6.170 ( -1.617 -4.524 4.036) 6.275 6.358 ( 0.753 4.840 1.489) 5.120 6.415 ( 2.128 1.346 2.381) 3.465 6.524 ( 1.691 3.965 2.122) 4.804 6.579 ( 4.445 -1.865 2.515) 5.437 6.730 ( -3.442 4.362 5.661) 7.932 6.844 ( 9.241 0.751 -10.442) 13.964 7.000 ( 2.044 -3.217 3.442) 5.135 7.078 ( 11.453 -5.066 -10.280) 16.202 7.390 ( 3.928 1.507 1.040) 4.334 7.454 ( 4.041 -0.751 -0.236) 4.117 7.584 ( 6.433 1.706 -2.942) 7.276 7.632 ( 4.895 0.847 -3.103) 5.857 7.913 ( -0.391 3.893 -3.294) 5.115 7.973 ( -0.073 0.595 0.911) 1.091 8.130 ( 2.449 0.810 -0.884) 2.727 8.298 ( -3.135 -4.233 0.560) 5.297 8.458 ( -4.523 2.438 0.840) 5.206 8.557 ( -4.598 -2.332 -3.928) 6.481 8.702 ( -3.705 0.884 1.751) 4.192 8.757 ( -4.808 -3.839 0.482) 6.172 9.261 ( -8.835 5.318 -2.989) 10.737 9.362 ( -5.875 0.437 -6.115) 8.491 9.905 ( 12.456 -1.284 9.128) 15.496 9.930 ( 9.855 -1.637 9.156) 13.551 10.165 ( 13.536 2.239 3.004) 14.045 10.259 ( 17.252 -1.889 1.623) 17.430 10.380 ( 1.491 -0.046 6.052) 6.233 10.395 ( 2.189 -0.119 6.280) 6.652 10.900 ( 22.576 0.159 25.831) 34.307 10.912 ( 18.254 -0.354 20.943) 27.784 11.152 ( 3.002 2.824 -2.557) 4.850 11.255 ( 6.036 -1.216 0.981) 6.235 13.441 ( -5.871 0.928 2.453) 6.430 13.483 ( -3.888 -0.741 1.293) 4.164 14.950 ( 18.753 26.682 14.444) 35.668 16.316 ( 14.766 9.038 -4.044) 17.779 16.471 ( -9.137 -18.543 10.555) 23.210 17.582 ( 0.504 -62.913 3.970) 63.040 20.980 ( -1.066 13.659 -1.407) 13.773 21.456 ( -6.282 -7.072 10.442) 14.089 21.968 ( -0.422 41.404 -15.833) 44.330 22.305 ( 6.521 0.986 3.742) 7.583 22.391 ( 4.149 -1.957 3.277) 5.638 22.804 ( -7.245 1.617 -6.236) 9.695 22.874 ( -5.067 -0.965 -5.628) 7.634 23.166 ( -13.733 -12.010 -15.614) 24.014 ======================= Grid point 102 (39/75) ======================= q-point: ( 0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 13.109 -3.635 5.088) 14.524 1.505 ( 7.102 -8.551 -2.896) 11.487 1.605 ( 16.132 6.130 6.272) 18.362 1.853 ( 5.303 -3.133 -2.816) 6.772 2.176 ( -6.577 3.745 4.871) 9.001 2.352 ( -5.469 -4.086 -4.218) 8.025 2.424 ( 0.625 1.074 -7.140) 7.247 2.640 ( 11.038 -5.645 -8.165) 14.845 2.664 ( -8.575 7.152 -6.928) 13.141 2.892 ( 10.627 3.636 9.010) 14.399 2.999 ( 12.101 1.832 10.394) 16.058 3.087 ( 2.794 0.905 -0.027) 2.937 3.295 ( 0.711 1.135 9.199) 9.296 3.350 ( 2.933 -3.044 6.757) 7.970 3.683 ( -11.205 -1.505 -11.625) 16.216 3.704 ( -6.336 -1.077 -11.208) 12.920 3.898 ( -1.335 7.429 -8.289) 11.211 3.967 ( -1.417 4.243 -0.967) 4.576 4.072 ( -0.724 -1.740 -1.626) 2.489 4.136 ( -1.573 3.617 0.592) 3.988 4.254 ( -1.967 -4.743 -1.910) 5.478 4.347 ( -0.023 0.767 -1.441) 1.633 4.374 ( -2.223 -2.495 -4.387) 5.515 4.430 ( -2.001 -2.586 -2.462) 4.093 4.587 ( -6.218 -0.244 -0.448) 6.238 4.618 ( -7.641 1.339 -3.610) 8.557 4.661 ( -10.068 -2.116 -1.853) 10.453 4.799 ( 0.110 1.174 5.035) 5.171 4.864 ( -8.032 -0.314 -1.918) 8.264 5.068 ( -5.308 -5.679 -0.798) 7.814 5.178 ( -9.805 3.355 -0.968) 10.408 5.326 ( -11.788 -2.685 1.577) 12.193 5.487 ( 6.227 2.274 6.943) 9.599 5.528 ( 5.803 1.165 11.612) 13.034 5.918 ( -1.389 -0.375 4.811) 5.022 6.004 ( -5.403 -2.963 12.224) 13.689 6.052 ( 0.519 -3.461 1.803) 3.937 6.132 ( -2.261 -5.963 5.716) 8.564 6.367 ( 0.706 5.872 0.995) 5.997 6.466 ( 2.995 0.447 3.079) 4.319 6.517 ( -2.600 7.796 3.959) 9.122 6.612 ( -1.020 -0.662 4.753) 4.906 6.712 ( 2.556 0.438 1.877) 3.201 6.878 ( -2.049 -4.316 1.998) 5.178 7.133 ( 8.851 1.662 -6.965) 11.385 7.263 ( 7.499 -3.702 -7.192) 11.030 7.442 ( 0.309 1.607 0.782) 1.814 7.524 ( 1.579 -1.531 0.526) 2.261 7.729 ( 9.380 2.312 -5.084) 10.917 7.774 ( 9.547 0.436 -6.304) 11.449 7.949 ( 4.612 3.726 -5.278) 7.938 7.992 ( 1.859 1.887 -1.997) 3.318 8.139 ( -1.913 -0.551 -3.892) 4.372 8.248 ( -1.679 -4.693 -6.214) 7.966 8.428 ( -1.459 1.147 -6.790) 7.039 8.484 ( -2.716 -3.838 -1.549) 4.950 8.624 ( -4.113 1.418 -0.850) 4.433 8.671 ( -1.617 -1.086 -0.155) 1.954 9.060 ( -11.634 6.142 -4.842) 14.018 9.201 ( -10.306 -0.546 -8.056) 13.093 10.094 ( 7.794 -1.629 7.750) 11.111 10.104 ( 7.871 -2.402 6.185) 10.295 10.326 ( 2.289 1.067 3.894) 4.641 10.360 ( -0.842 -0.845 5.250) 5.384 10.554 ( 13.988 0.883 8.078) 16.177 10.593 ( 15.459 -0.953 3.400) 15.857 11.113 ( -0.673 1.516 0.762) 1.825 11.143 ( 0.912 0.642 2.271) 2.531 11.490 ( 32.593 1.436 29.746) 44.150 11.566 ( 29.528 -1.276 27.325) 40.252 13.197 ( -19.196 1.655 17.309) 25.900 13.272 ( -18.101 -1.253 16.709) 24.666 15.341 ( 21.006 19.474 2.193) 28.728 16.267 ( -11.599 -11.588 5.461) 17.281 16.638 ( 17.711 5.833 -6.980) 19.910 17.502 ( -8.608 -35.525 -6.710) 37.164 20.987 ( 2.056 9.364 -0.639) 9.608 21.323 ( -7.555 -4.839 7.716) 11.833 22.025 ( 6.143 23.517 -9.270) 26.013 22.439 ( 7.118 0.310 -1.067) 7.204 22.470 ( 3.927 -2.211 -0.150) 4.509 22.636 ( -9.920 1.856 -7.169) 12.379 22.770 ( -5.689 -1.304 -5.257) 7.855 22.924 ( -11.198 -9.283 -9.850) 17.566 ======================= Grid point 103 (40/75) ======================= q-point: ( 0.44 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 6.086 -9.451 5.930) 12.709 1.560 ( -0.667 -11.431 0.880) 11.484 1.937 ( 17.445 6.579 0.015) 18.645 2.016 ( 8.520 5.677 -2.171) 10.466 2.072 ( -2.076 6.470 1.392) 6.936 2.253 ( -8.974 2.522 -9.223) 13.113 2.286 ( -5.649 -1.801 -0.722) 5.973 2.435 ( -12.598 -2.149 -10.642) 16.631 2.973 ( 18.653 -0.327 -15.804) 24.450 3.104 ( 12.601 -3.140 -11.739) 17.506 3.175 ( 4.666 0.288 10.602) 11.587 3.190 ( 3.281 -1.303 7.018) 7.856 3.307 ( 0.960 3.224 10.907) 11.414 3.378 ( -5.575 -1.803 -1.547) 6.060 3.408 ( -10.038 2.175 -3.225) 10.765 3.503 ( -12.758 -0.289 -8.430) 15.294 3.907 ( 2.225 6.807 -5.163) 8.828 3.951 ( -1.619 3.862 -4.035) 5.815 4.126 ( 5.172 -1.320 -1.961) 5.687 4.174 ( 5.966 3.434 -0.886) 6.940 4.219 ( -2.864 -5.224 -1.172) 6.072 4.298 ( -4.856 1.914 0.019) 5.220 4.324 ( -2.189 -3.129 -0.740) 3.890 4.378 ( -7.868 -2.380 -2.119) 8.489 4.462 ( 1.247 -3.996 -5.529) 6.935 4.509 ( -3.007 -3.352 -4.950) 6.692 4.625 ( 2.315 6.393 -0.153) 6.801 4.711 ( -6.348 5.508 0.545) 8.422 4.863 ( 5.224 -3.372 2.478) 6.693 4.975 ( -4.689 -4.822 -1.841) 6.973 5.042 ( -3.642 0.971 0.587) 3.815 5.096 ( -9.783 -0.701 3.355) 10.366 5.647 ( 9.453 0.198 10.990) 14.497 5.687 ( 9.904 0.469 14.401) 17.484 5.820 ( -8.138 -1.193 10.699) 13.494 5.871 ( -8.715 -1.208 14.543) 16.998 6.072 ( 1.405 -3.961 1.856) 4.594 6.098 ( -1.392 -5.221 3.869) 6.646 6.394 ( 2.185 5.893 1.335) 6.426 6.448 ( -3.481 5.724 2.867) 7.287 6.528 ( 2.993 1.671 3.429) 4.849 6.579 ( -2.293 0.114 3.508) 4.193 6.775 ( 3.394 -1.439 2.065) 4.225 6.833 ( -2.643 -3.246 2.456) 4.853 7.279 ( 6.675 1.577 -5.068) 8.528 7.373 ( 0.781 -1.402 -3.304) 3.673 7.409 ( 0.569 0.635 -2.167) 2.329 7.494 ( -4.107 -1.866 -0.475) 4.535 7.906 ( 7.898 1.795 -5.848) 9.990 7.953 ( 7.436 0.847 -6.754) 10.081 8.002 ( -0.548 2.763 -2.870) 4.021 8.051 ( -0.583 2.778 -7.459) 7.981 8.124 ( 5.967 -0.394 -3.057) 6.716 8.242 ( 0.801 -4.766 -6.861) 8.392 8.321 ( -7.210 -1.706 -6.336) 9.749 8.384 ( -8.088 -5.570 -6.304) 11.669 8.640 ( 6.610 4.972 -3.188) 8.864 8.749 ( 4.827 -0.190 -5.216) 7.109 8.854 ( -6.516 5.661 -4.611) 9.786 8.991 ( -11.416 -0.691 -7.474) 13.662 10.206 ( 3.711 -2.526 6.640) 8.015 10.211 ( 3.203 -2.910 5.779) 7.220 10.332 ( -0.567 0.508 6.499) 6.544 10.337 ( -1.265 -0.006 6.490) 6.612 10.811 ( 11.676 0.808 5.401) 12.890 10.851 ( 10.511 -1.301 3.266) 11.083 11.038 ( -5.615 2.678 2.410) 6.671 11.077 ( -6.563 0.754 1.856) 6.862 12.138 ( 34.143 1.304 29.764) 45.314 12.203 ( 34.849 -1.152 30.690) 46.450 12.739 ( -28.640 1.657 25.610) 38.456 12.819 ( -29.121 -1.379 26.481) 39.385 15.713 ( 18.011 9.421 -0.067) 20.326 16.020 ( -14.551 -1.329 1.855) 14.729 16.974 ( 17.311 -2.034 -9.570) 19.884 17.278 ( -14.454 -15.278 -10.132) 23.345 21.059 ( 5.332 3.318 1.754) 6.520 21.180 ( -7.250 -1.532 4.700) 8.775 22.184 ( 10.187 11.280 -7.706) 17.041 22.393 ( -11.197 4.134 -7.717) 14.213 22.564 ( 4.941 -2.709 -3.181) 6.471 22.592 ( 5.625 -1.938 -3.732) 7.023 22.668 ( -4.513 -1.104 -4.427) 6.417 22.743 ( -8.227 -4.406 -6.231) 11.222 ======================= Grid point 108 (41/75) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 -19.443 9.995) 21.862 1.139 ( 0.000 19.443 9.995) 21.862 1.475 ( 0.000 -10.896 20.910) 23.578 1.475 ( 0.000 10.896 20.910) 23.578 2.060 ( 0.000 -12.709 16.811) 21.074 2.060 ( 0.000 12.709 16.811) 21.074 2.096 ( 0.000 -10.841 -14.323) 17.963 2.096 ( 0.000 10.841 -14.323) 17.963 2.682 ( 0.000 -3.185 7.222) 7.893 2.682 ( 0.000 3.185 7.222) 7.893 3.083 ( 0.000 -5.503 -3.438) 6.489 3.083 ( 0.000 5.503 -3.438) 6.489 3.449 ( 0.000 -5.557 1.228) 5.691 3.449 ( 0.000 5.557 1.228) 5.691 3.998 ( 0.000 -4.651 10.234) 11.241 3.998 ( 0.000 4.651 10.234) 11.241 4.011 ( 0.000 -3.122 -1.005) 3.280 4.011 ( 0.000 3.122 -1.005) 3.280 4.240 ( 0.000 -12.448 -1.425) 12.530 4.240 ( 0.000 12.448 -1.425) 12.530 4.282 ( 0.000 -2.256 -3.263) 3.967 4.282 ( 0.000 2.256 -3.263) 3.967 4.468 ( 0.000 -6.349 -1.980) 6.651 4.468 ( 0.000 6.349 -1.980) 6.651 4.800 ( 0.000 -6.583 -0.277) 6.589 4.800 ( 0.000 6.583 -0.277) 6.589 5.131 ( 0.000 -7.525 -0.037) 7.525 5.131 ( 0.000 7.525 -0.037) 7.525 5.161 ( 0.000 -3.655 2.449) 4.400 5.161 ( 0.000 3.655 2.449) 4.400 5.609 ( 0.000 -4.471 -9.678) 10.661 5.609 ( 0.000 4.471 -9.678) 10.661 5.708 ( 0.000 -0.111 -4.989) 4.990 5.708 ( 0.000 0.111 -4.989) 4.990 5.837 ( 0.000 -4.707 -3.246) 5.717 5.837 ( 0.000 4.707 -3.246) 5.717 6.334 ( 0.000 -5.152 0.480) 5.174 6.334 ( 0.000 5.152 0.480) 5.174 6.388 ( 0.000 -4.092 -1.016) 4.216 6.388 ( 0.000 4.092 -1.016) 4.216 6.440 ( 0.000 -6.775 -6.478) 9.374 6.440 ( 0.000 6.775 -6.478) 9.374 6.451 ( 0.000 -6.179 -1.478) 6.353 6.451 ( 0.000 6.179 -1.478) 6.353 6.980 ( 0.000 -6.324 4.563) 7.798 6.980 ( 0.000 6.324 4.563) 7.798 7.386 ( 0.000 -4.565 0.339) 4.578 7.386 ( 0.000 4.565 0.339) 4.578 7.472 ( 0.000 -4.070 0.990) 4.189 7.472 ( 0.000 4.070 0.990) 4.189 7.980 ( 0.000 -3.171 9.563) 10.075 7.980 ( 0.000 3.171 9.563) 10.075 8.335 ( 0.000 -11.442 -5.584) 12.732 8.335 ( 0.000 11.442 -5.584) 12.732 8.542 ( 0.000 -3.960 -0.969) 4.077 8.542 ( 0.000 3.960 -0.969) 4.077 8.962 ( 0.000 -2.922 19.344) 19.564 8.962 ( 0.000 2.922 19.344) 19.564 9.270 ( 0.000 -2.314 -6.163) 6.583 9.270 ( 0.000 2.314 -6.163) 6.583 9.549 ( 0.000 -3.500 13.637) 14.079 9.549 ( 0.000 3.500 13.637) 14.079 9.918 ( 0.000 -5.433 3.570) 6.501 9.918 ( 0.000 5.433 3.570) 6.501 10.350 ( 0.000 -2.573 4.400) 5.097 10.350 ( 0.000 2.573 4.400) 5.097 10.536 ( 0.000 -2.855 14.384) 14.664 10.536 ( 0.000 2.855 14.384) 14.664 11.095 ( 0.000 -1.070 -7.982) 8.053 11.095 ( 0.000 1.070 -7.982) 8.053 13.339 ( 0.000 -0.247 -17.545) 17.547 13.339 ( 0.000 0.247 -17.545) 17.547 15.567 ( 0.000 -65.556 50.832) 82.955 15.567 ( 0.000 65.556 50.832) 82.955 16.335 ( 0.000 -19.175 5.944) 20.075 16.335 ( 0.000 19.175 5.944) 20.075 21.322 ( 0.000 -15.004 8.124) 17.062 21.322 ( 0.000 15.004 8.124) 17.062 22.218 ( 0.000 -3.261 8.581) 9.179 22.218 ( 0.000 3.261 8.581) 9.179 22.965 ( 0.000 -1.017 -5.502) 5.595 22.965 ( 0.000 1.017 -5.502) 5.595 23.115 ( 0.000 -29.646 -34.113) 45.195 23.115 ( 0.000 29.646 -34.113) 45.195 ======================= Grid point 110 (42/75) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.167 -15.062 12.011) 19.265 1.123 ( -0.167 15.062 12.011) 19.265 1.481 ( 1.550 -14.245 13.218) 19.494 1.481 ( 1.550 14.245 13.218) 19.494 2.055 ( 5.027 -8.519 -8.984) 13.363 2.055 ( 5.027 8.519 -8.984) 13.363 2.339 ( 17.399 -9.628 12.850) 23.676 2.339 ( 17.399 9.628 12.850) 23.676 2.636 ( -4.699 -2.563 5.537) 7.701 2.636 ( -4.699 2.563 5.537) 7.701 3.114 ( 2.862 -4.320 -1.022) 5.282 3.114 ( 2.862 4.320 -1.022) 5.282 3.350 ( -9.089 -6.570 3.145) 11.647 3.350 ( -9.089 6.570 3.145) 11.647 3.888 ( -5.827 -2.557 0.461) 6.380 3.888 ( -5.827 2.557 0.461) 6.380 4.045 ( 0.033 -1.099 0.010) 1.099 4.045 ( 0.033 1.099 0.010) 1.099 4.179 ( -3.030 -6.280 -5.055) 8.612 4.179 ( -3.030 6.280 -5.055) 8.612 4.381 ( 3.462 -3.187 -0.521) 4.735 4.381 ( 3.462 3.187 -0.521) 4.735 4.453 ( -0.897 -4.843 0.211) 4.929 4.453 ( -0.897 4.843 0.211) 4.929 4.784 ( -1.798 -6.705 1.152) 7.037 4.784 ( -1.798 6.705 1.152) 7.037 5.007 ( -7.726 -4.188 -0.220) 8.791 5.007 ( -7.726 4.188 -0.220) 8.791 5.185 ( -3.682 -1.127 -0.060) 3.851 5.185 ( -3.682 1.127 -0.060) 3.851 5.433 ( -7.903 -0.498 -4.557) 9.136 5.433 ( -7.903 0.498 -4.557) 9.136 5.710 ( -6.416 -3.544 -3.970) 8.336 5.710 ( -6.416 3.544 -3.970) 8.336 5.885 ( 4.381 -2.484 -2.623) 5.679 5.885 ( 4.381 2.484 -2.623) 5.679 6.232 ( -8.029 -1.481 0.265) 8.169 6.232 ( -8.029 1.481 0.265) 8.169 6.371 ( 2.397 -2.560 2.181) 4.130 6.371 ( 2.397 2.560 2.181) 4.130 6.480 ( 4.707 -2.423 1.261) 5.442 6.480 ( 4.707 2.423 1.261) 5.442 6.668 ( 13.858 -5.205 -10.426) 18.106 6.668 ( 13.858 5.205 -10.426) 18.106 6.946 ( -3.196 -6.507 5.739) 9.246 6.946 ( -3.196 6.507 5.739) 9.246 7.374 ( 0.807 -2.300 0.080) 2.438 7.374 ( 0.807 2.300 0.080) 2.438 7.531 ( 4.241 -3.277 -0.424) 5.377 7.531 ( 4.241 3.277 -0.424) 5.377 7.972 ( -0.467 -1.934 4.517) 4.936 7.972 ( -0.467 1.934 4.517) 4.936 8.254 ( -5.037 -7.931 0.002) 9.396 8.254 ( -5.037 7.931 0.002) 9.396 8.575 ( -0.315 -1.584 -2.370) 2.868 8.575 ( -0.315 1.584 -2.370) 2.868 8.807 ( -8.024 -1.923 8.856) 12.104 8.807 ( -8.024 1.923 8.856) 12.104 9.393 ( 3.716 -1.988 -1.006) 4.333 9.393 ( 3.716 1.988 -1.006) 4.333 9.688 ( 11.835 -2.899 10.524) 16.100 9.688 ( 11.835 2.899 10.524) 16.100 9.960 ( 7.514 -2.008 3.515) 8.535 9.960 ( 7.514 2.008 3.515) 8.535 10.365 ( 1.029 -1.662 4.226) 4.656 10.365 ( 1.029 1.662 4.226) 4.656 10.618 ( 9.285 -2.343 18.505) 20.836 10.618 ( 9.285 2.343 18.505) 20.836 11.136 ( 3.721 -1.643 -6.474) 7.646 11.136 ( 3.721 1.643 -6.474) 7.646 13.430 ( 6.521 -0.307 -13.446) 14.947 13.430 ( 6.521 0.307 -13.446) 14.947 15.617 ( 5.136 -60.886 36.254) 71.048 15.617 ( 5.136 60.886 36.254) 71.048 16.427 ( 9.261 -21.618 8.015) 24.846 16.427 ( 9.261 21.618 8.015) 24.846 21.304 ( -1.977 -14.269 7.048) 16.037 21.304 ( -1.977 14.269 7.048) 16.037 22.251 ( 3.262 -2.709 7.021) 8.202 22.251 ( 3.262 2.709 7.021) 8.202 22.932 ( -3.605 -1.555 -6.165) 7.309 22.932 ( -3.605 1.555 -6.165) 7.309 22.992 ( -11.354 -29.841 -27.965) 42.444 22.992 ( -11.354 29.841 -27.965) 42.444 ======================= Grid point 112 (43/75) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 6.919 -9.732 5.812) 13.280 1.186 ( 6.919 9.732 5.812) 13.280 1.557 ( 6.759 -12.104 7.118) 15.584 1.557 ( 6.759 12.104 7.118) 15.584 2.211 ( 9.495 -5.222 -13.269) 17.132 2.211 ( 9.495 5.222 -13.269) 17.132 2.504 ( -6.061 -3.423 5.347) 8.777 2.504 ( -6.061 3.423 5.347) 8.777 2.690 ( 16.136 -3.173 16.203) 23.086 2.690 ( 16.136 3.173 16.203) 23.086 3.102 ( -8.046 -9.095 -1.213) 12.204 3.102 ( -8.046 9.095 -1.213) 12.204 3.241 ( 2.560 -5.880 5.273) 8.302 3.241 ( 2.560 5.880 5.273) 8.302 3.795 ( -4.631 -1.978 -6.658) 8.348 3.795 ( -4.631 1.978 -6.658) 8.348 4.027 ( -1.512 -3.277 -3.432) 4.980 4.027 ( -1.512 3.277 -3.432) 4.980 4.130 ( -2.063 -1.669 -3.758) 4.601 4.130 ( -2.063 1.669 -3.758) 4.601 4.353 ( -4.359 -2.528 -5.585) 7.522 4.353 ( -4.359 2.528 -5.585) 7.522 4.436 ( -2.187 -3.598 2.103) 4.707 4.436 ( -2.187 3.598 2.103) 4.707 4.717 ( -5.633 -1.621 1.921) 6.168 4.717 ( -5.633 1.621 1.921) 6.168 4.870 ( -7.357 -5.389 -2.605) 9.485 4.870 ( -7.357 5.389 -2.605) 9.485 5.037 ( -7.822 -3.024 0.333) 8.393 5.037 ( -7.822 3.024 0.333) 8.393 5.386 ( -0.271 -1.691 2.997) 3.452 5.386 ( -0.271 1.691 2.997) 3.452 5.542 ( -8.845 -4.677 -1.335) 10.094 5.542 ( -8.845 4.677 -1.335) 10.094 5.939 ( 1.394 -2.587 0.512) 2.983 5.939 ( 1.394 2.587 0.512) 2.983 6.112 ( -4.761 -1.071 5.602) 7.430 6.112 ( -4.761 1.071 5.602) 7.430 6.419 ( 2.227 -1.133 2.655) 3.646 6.419 ( 2.227 1.133 2.655) 3.646 6.567 ( 3.916 -0.653 2.061) 4.473 6.567 ( 3.916 0.653 2.061) 4.473 6.822 ( -2.472 -3.744 1.348) 4.685 6.822 ( -2.472 3.744 1.348) 4.685 6.982 ( 11.386 -2.809 -7.029) 13.673 6.982 ( 11.386 2.809 -7.029) 13.673 7.427 ( 4.025 -1.743 0.156) 4.389 7.427 ( 4.025 1.743 0.156) 4.389 7.624 ( 6.021 -1.593 -3.054) 6.936 7.624 ( 6.021 1.593 -3.054) 6.936 7.971 ( 0.572 -1.231 -0.502) 1.447 7.971 ( 0.572 1.231 -0.502) 1.447 8.195 ( -1.586 -5.156 -1.335) 5.557 8.195 ( -1.586 5.156 -1.335) 5.557 8.503 ( -4.952 -2.549 -1.975) 5.910 8.503 ( -4.952 2.549 -1.975) 5.910 8.715 ( -3.598 -0.844 2.569) 4.501 8.715 ( -3.598 0.844 2.569) 4.501 9.347 ( -7.366 -2.406 -5.024) 9.235 9.347 ( -7.366 2.406 -5.024) 9.235 9.899 ( 10.582 -0.867 9.058) 13.956 9.899 ( 10.582 0.867 9.058) 13.956 10.214 ( 15.196 -2.361 1.987) 15.507 10.214 ( 15.196 2.361 1.987) 15.507 10.386 ( 2.208 -0.552 6.199) 6.604 10.386 ( 2.208 0.552 6.199) 6.604 10.905 ( 20.410 -0.278 23.534) 31.153 10.905 ( 20.410 0.278 23.534) 31.153 11.214 ( 4.844 -2.689 -0.713) 5.586 11.214 ( 4.844 2.689 -0.713) 5.586 13.464 ( -4.759 -1.115 1.711) 5.179 13.464 ( -4.759 1.115 1.711) 5.179 15.740 ( 7.096 -45.836 11.207) 47.716 15.740 ( 7.096 45.836 11.207) 47.716 16.651 ( 13.216 -24.698 7.034) 28.881 16.651 ( 13.216 24.698 7.034) 28.881 21.250 ( -3.533 -12.187 4.215) 13.371 21.250 ( -3.533 12.187 4.215) 13.371 22.329 ( 4.530 -1.772 3.129) 5.783 22.329 ( 4.530 1.772 3.129) 5.783 22.742 ( -12.419 -25.783 -17.953) 33.783 22.742 ( -12.419 25.783 -17.953) 33.783 22.854 ( -5.331 -1.189 -5.653) 7.861 22.854 ( -5.331 1.189 -5.653) 7.861 ======================= Grid point 114 (44/75) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 6.709 -5.632 1.036) 8.821 1.332 ( 6.709 5.632 1.036) 8.821 1.748 ( 13.624 -6.568 3.231) 15.466 1.748 ( 13.624 6.568 3.231) 15.466 2.262 ( -4.814 -4.386 -1.901) 6.784 2.262 ( -4.814 4.386 -1.901) 6.784 2.492 ( 2.892 -5.666 -6.758) 9.281 2.492 ( 2.892 5.666 -6.758) 9.281 2.859 ( 0.552 -7.481 -3.444) 8.254 2.859 ( 0.552 7.481 -3.444) 8.254 3.050 ( 7.572 -2.635 9.823) 12.679 3.050 ( 7.572 2.635 9.823) 12.679 3.323 ( 3.991 -1.446 8.453) 9.459 3.323 ( 3.991 1.446 8.453) 9.459 3.677 ( -8.938 -0.910 -12.148) 15.109 3.677 ( -8.938 0.910 -12.148) 15.109 4.014 ( 0.264 -3.878 -4.629) 6.045 4.014 ( 0.264 3.878 -4.629) 6.045 4.092 ( -1.596 -6.767 -1.794) 7.181 4.092 ( -1.596 6.767 -1.794) 7.181 4.279 ( -2.184 -5.362 -3.157) 6.595 4.279 ( -2.184 5.362 -3.157) 6.595 4.386 ( -2.544 -2.049 -2.413) 4.061 4.386 ( -2.544 2.049 -2.413) 4.061 4.569 ( -9.418 -0.155 -1.132) 9.487 4.569 ( -9.418 0.155 -1.132) 9.487 4.753 ( -3.307 -4.841 -2.169) 6.251 4.753 ( -3.307 4.841 -2.169) 6.251 4.932 ( -4.360 -6.334 2.180) 7.993 4.932 ( -4.360 6.334 2.180) 7.993 5.257 ( -11.278 -3.837 1.274) 11.981 5.257 ( -11.278 3.837 1.274) 11.981 5.531 ( 5.807 -1.257 9.381) 11.105 5.531 ( 5.807 1.257 9.381) 11.105 5.931 ( -2.920 -2.174 5.761) 6.814 5.931 ( -2.920 2.174 5.761) 6.814 6.048 ( -1.663 -2.027 6.244) 6.773 6.048 ( -1.663 2.027 6.244) 6.773 6.449 ( 0.882 -2.115 2.511) 3.400 6.449 ( 0.882 2.115 2.511) 3.400 6.613 ( 0.754 -0.786 3.267) 3.443 6.613 ( 0.754 0.786 3.267) 3.443 6.765 ( -1.726 -5.535 2.669) 6.382 6.765 ( -1.726 5.535 2.669) 6.382 7.186 ( 8.917 -3.359 -7.638) 12.213 7.186 ( 8.917 3.359 -7.638) 12.213 7.484 ( 0.709 -2.216 0.744) 2.443 7.484 ( 0.709 2.216 0.744) 2.443 7.769 ( 9.326 -1.149 -5.462) 10.869 7.769 ( 9.326 1.149 -5.462) 10.869 8.010 ( 3.694 -1.255 -2.751) 4.774 8.010 ( 3.694 1.255 -2.751) 4.774 8.161 ( -2.436 -3.353 -7.358) 8.445 8.161 ( -2.436 3.353 -7.358) 8.445 8.432 ( -3.666 -0.928 -2.877) 4.752 8.432 ( -3.666 0.928 -2.877) 4.752 8.655 ( -1.159 -1.342 0.056) 1.774 8.655 ( -1.159 1.342 0.056) 1.774 9.164 ( -11.058 -3.406 -6.685) 13.363 9.164 ( -11.058 3.406 -6.685) 13.363 10.074 ( 7.523 -0.182 6.592) 10.005 10.074 ( 7.523 0.182 6.592) 10.005 10.343 ( 0.401 -0.720 4.477) 4.552 10.343 ( 0.401 0.720 4.477) 4.552 10.574 ( 14.988 -0.907 5.712) 16.065 10.574 ( 14.988 0.907 5.712) 16.065 11.142 ( 0.583 -0.878 1.902) 2.174 11.142 ( 0.583 0.878 1.902) 2.174 11.529 ( 30.850 -2.077 28.288) 41.907 11.529 ( 30.850 2.077 28.288) 41.907 13.238 ( -18.648 -1.988 16.983) 25.301 13.238 ( -18.648 1.988 16.983) 25.301 15.859 ( 5.063 -26.653 -1.585) 27.176 15.859 ( 5.063 26.653 -1.585) 27.176 16.879 ( 9.940 -19.956 1.995) 22.384 16.879 ( 9.940 19.956 1.995) 22.384 21.180 ( -3.503 -8.616 0.991) 9.354 21.180 ( -3.503 8.616 0.991) 9.354 22.406 ( 3.021 -5.224 -2.251) 6.440 22.406 ( 3.021 5.224 -2.251) 6.440 22.558 ( -6.222 -13.590 -8.890) 17.390 22.558 ( -6.222 13.590 -8.890) 17.390 22.750 ( -5.338 -1.194 -5.186) 7.538 22.750 ( -5.338 1.194 -5.186) 7.538 ======================= Grid point 116 (45/75) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 1.863 -1.791 3.436) 4.299 1.412 ( 1.863 1.791 3.436) 4.299 2.044 ( 15.885 -2.932 -0.679) 16.167 2.044 ( 15.885 2.932 -0.679) 16.167 2.181 ( -1.907 -4.536 -2.603) 5.567 2.181 ( -1.907 4.537 -2.603) 5.567 2.366 ( -13.665 -4.427 -5.623) 15.426 2.366 ( -13.665 4.427 -5.623) 15.426 3.015 ( 13.527 -4.093 -14.505) 20.251 3.015 ( 13.527 4.093 -14.505) 20.251 3.173 ( 1.825 -1.123 5.231) 5.653 3.173 ( 1.825 1.123 5.231) 5.653 3.366 ( 0.862 -1.686 8.659) 8.863 3.366 ( 0.862 1.686 8.659) 8.863 3.461 ( -11.321 -3.058 -6.399) 13.359 3.461 ( -11.321 3.058 -6.399) 13.359 4.013 ( -0.132 -0.373 -5.016) 5.031 4.013 ( -0.132 0.373 -5.016) 5.031 4.105 ( 1.724 -2.616 -2.338) 3.910 4.105 ( 1.724 2.616 -2.338) 3.910 4.275 ( 1.154 -3.684 -1.838) 4.276 4.275 ( 1.154 3.684 -1.838) 4.276 4.337 ( -2.766 -1.997 -2.720) 4.363 4.337 ( -2.766 1.997 -2.720) 4.363 4.426 ( -4.058 -3.447 -3.538) 6.393 4.426 ( -4.058 3.447 -3.538) 6.393 4.742 ( 0.999 -4.097 -0.122) 4.219 4.742 ( 0.999 4.097 -0.122) 4.219 4.866 ( -2.073 -4.965 0.119) 5.382 4.866 ( -2.073 4.965 0.119) 5.382 5.068 ( -6.915 -1.616 4.076) 8.188 5.068 ( -6.915 1.616 4.076) 8.188 5.672 ( 8.313 -1.740 12.754) 15.323 5.672 ( 8.313 1.740 12.754) 15.323 5.828 ( -7.349 -1.908 12.007) 14.207 5.828 ( -7.349 1.908 12.007) 14.207 6.040 ( 0.151 -0.540 3.924) 3.963 6.040 ( 0.151 0.540 3.924) 3.963 6.453 ( -0.174 -1.445 1.760) 2.284 6.453 ( -0.174 1.445 1.760) 2.284 6.611 ( -0.282 -0.374 3.450) 3.482 6.611 ( -0.282 0.374 3.450) 3.482 6.758 ( 0.244 -1.989 1.856) 2.731 6.758 ( 0.244 1.989 1.856) 2.731 7.324 ( 5.751 -2.608 -4.566) 7.792 7.324 ( 5.751 2.608 -4.566) 7.792 7.447 ( -3.719 -2.405 -1.188) 4.586 7.447 ( -3.719 2.405 -1.188) 4.586 7.946 ( 7.700 -1.509 -6.370) 10.106 7.946 ( 7.700 1.509 -6.370) 10.106 8.068 ( -1.106 -2.744 -5.016) 5.823 8.068 ( -1.106 2.744 -5.016) 5.823 8.147 ( 4.896 -3.919 -6.475) 9.015 8.147 ( 4.896 3.919 -6.475) 9.015 8.308 ( -8.857 -1.236 -3.755) 9.699 8.308 ( -8.857 1.236 -3.755) 9.699 8.722 ( 7.071 -2.643 -4.721) 8.904 8.722 ( 7.071 2.643 -4.721) 8.904 8.953 ( -10.255 -3.325 -6.059) 12.367 8.953 ( -10.255 3.325 -6.059) 12.367 10.176 ( 3.058 -0.123 5.779) 6.539 10.176 ( 3.058 0.123 5.779) 6.539 10.334 ( -0.689 -0.108 6.433) 6.471 10.334 ( -0.689 0.108 6.433) 6.471 10.830 ( 10.613 -0.893 4.421) 11.531 10.830 ( 10.613 0.893 4.421) 11.531 11.078 ( -5.511 -0.898 2.162) 5.987 11.078 ( -5.511 0.898 2.162) 5.987 12.171 ( 34.524 -1.763 30.254) 45.938 12.171 ( 34.524 1.763 30.254) 45.938 12.781 ( -28.935 -2.135 26.094) 39.022 12.781 ( -28.935 2.135 26.094) 39.022 15.924 ( 1.751 -8.636 -5.075) 10.169 15.924 ( 1.751 8.636 -5.075) 10.169 17.008 ( 3.462 -7.522 -1.168) 8.362 17.008 ( 3.462 7.522 -1.168) 8.362 21.131 ( -1.447 -3.185 -0.992) 3.636 21.131 ( -1.447 3.185 -0.992) 3.636 22.419 ( -0.799 -8.082 -7.137) 10.812 22.419 ( -0.799 8.082 -7.137) 10.812 22.521 ( 0.878 -3.430 -3.228) 4.791 22.521 ( 0.878 3.430 -3.228) 4.791 22.666 ( -2.891 -1.690 -4.432) 5.555 22.666 ( -2.891 1.690 -4.432) 5.555 ======================= Grid point 135 (46/75) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 0.000 14.667) 14.667 1.485 ( 0.000 0.000 3.858) 3.858 1.768 ( 0.000 0.000 12.492) 12.492 1.784 ( 0.000 0.000 -8.695) 8.695 1.903 ( 0.000 0.000 -4.740) 4.740 2.077 ( 0.000 0.000 16.937) 16.937 2.194 ( 0.000 0.000 18.525) 18.525 2.395 ( 0.000 0.000 15.599) 15.599 2.620 ( 0.000 0.000 -2.800) 2.800 2.969 ( 0.000 0.000 -3.773) 3.773 3.173 ( 0.000 0.000 15.878) 15.878 3.325 ( 0.000 0.000 -11.267) 11.267 3.415 ( 0.000 0.000 -6.364) 6.364 3.471 ( 0.000 0.000 -7.484) 7.484 3.529 ( 0.000 0.000 11.337) 11.337 3.891 ( 0.000 0.000 -11.189) 11.189 4.067 ( 0.000 0.000 3.482) 3.482 4.070 ( 0.000 0.000 -1.013) 1.013 4.216 ( 0.000 0.000 5.172) 5.172 4.228 ( 0.000 0.000 -1.288) 1.288 4.263 ( 0.000 0.000 7.787) 7.787 4.266 ( 0.000 0.000 -10.867) 10.867 4.511 ( 0.000 0.000 -0.373) 0.373 4.539 ( 0.000 0.000 2.379) 2.379 4.713 ( 0.000 0.000 2.225) 2.225 4.859 ( 0.000 0.000 8.978) 8.978 5.028 ( 0.000 0.000 2.534) 2.534 5.176 ( 0.000 0.000 1.822) 1.822 5.209 ( 0.000 0.000 -11.796) 11.796 5.383 ( 0.000 0.000 5.934) 5.934 5.426 ( 0.000 0.000 -1.039) 1.039 5.542 ( 0.000 0.000 -6.041) 6.041 5.654 ( 0.000 0.000 -12.310) 12.310 5.667 ( 0.000 0.000 -2.156) 2.156 5.694 ( 0.000 0.000 -8.832) 8.832 5.863 ( 0.000 0.000 -5.284) 5.284 6.208 ( 0.000 0.000 2.936) 2.936 6.214 ( 0.000 0.000 1.339) 1.339 6.244 ( 0.000 0.000 -3.588) 3.588 6.297 ( 0.000 0.000 1.299) 1.299 6.388 ( 0.000 0.000 -1.793) 1.793 6.486 ( 0.000 0.000 -3.998) 3.998 6.572 ( 0.000 0.000 1.240) 1.240 6.587 ( 0.000 0.000 2.301) 2.301 6.873 ( 0.000 0.000 9.265) 9.265 7.261 ( 0.000 0.000 7.472) 7.472 7.270 ( 0.000 0.000 -1.300) 1.300 7.351 ( 0.000 0.000 0.654) 0.654 7.530 ( 0.000 0.000 -1.482) 1.482 7.648 ( 0.000 0.000 5.306) 5.306 7.776 ( 0.000 0.000 -10.200) 10.200 8.123 ( 0.000 0.000 7.265) 7.265 8.239 ( 0.000 0.000 5.899) 5.899 8.427 ( 0.000 0.000 -2.469) 2.469 8.439 ( 0.000 0.000 -14.077) 14.077 8.546 ( 0.000 0.000 -3.756) 3.756 9.169 ( 0.000 0.000 1.505) 1.505 9.264 ( 0.000 0.000 1.396) 1.396 9.275 ( 0.000 0.000 11.453) 11.453 9.315 ( 0.000 0.000 13.012) 13.012 9.571 ( 0.000 0.000 6.979) 6.979 9.819 ( 0.000 0.000 4.042) 4.042 9.827 ( 0.000 0.000 2.823) 2.823 10.086 ( 0.000 0.000 0.314) 0.314 10.317 ( 0.000 0.000 4.507) 4.507 10.473 ( 0.000 0.000 2.058) 2.058 10.878 ( 0.000 0.000 -10.820) 10.820 10.927 ( 0.000 0.000 -11.668) 11.668 10.996 ( 0.000 0.000 35.064) 35.064 11.060 ( 0.000 0.000 32.339) 32.339 12.922 ( 0.000 0.000 -25.542) 25.542 12.932 ( 0.000 0.000 -25.652) 25.652 14.932 ( 0.000 0.000 25.723) 25.723 15.754 ( 0.000 0.000 -7.312) 7.312 17.328 ( 0.000 0.000 25.610) 25.610 18.922 ( 0.000 0.000 -27.494) 27.494 20.663 ( 0.000 0.000 2.541) 2.541 20.832 ( 0.000 0.000 -2.974) 2.974 22.016 ( 0.000 0.000 18.485) 18.485 22.340 ( 0.000 0.000 9.221) 9.221 22.443 ( 0.000 0.000 6.978) 6.978 22.819 ( 0.000 0.000 -6.402) 6.402 22.865 ( 0.000 0.000 -6.877) 6.877 23.222 ( 0.000 0.000 -20.511) 20.511 ======================= Grid point 136 (47/75) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 10.774 0.000 14.452) 18.026 1.467 ( -6.450 0.000 20.189) 21.195 1.703 ( 6.801 0.000 -2.291) 7.176 1.785 ( -0.592 0.000 -1.831) 1.925 1.894 ( -5.189 0.000 -10.777) 11.962 1.943 ( -8.285 0.000 8.510) 11.877 2.433 ( 20.816 0.000 19.182) 28.307 2.500 ( 4.233 0.000 -1.838) 4.615 2.648 ( 4.760 0.000 9.705) 10.809 2.938 ( -4.020 0.000 -4.940) 6.369 3.197 ( 2.833 0.000 17.010) 17.244 3.299 ( -14.435 0.000 7.344) 16.196 3.345 ( 1.793 0.000 -8.811) 8.992 3.423 ( -2.095 0.000 -4.533) 4.993 3.538 ( 1.026 0.000 0.888) 1.357 3.844 ( -5.321 0.000 -12.316) 13.416 3.917 ( -8.470 0.000 2.553) 8.846 4.083 ( -3.219 0.000 8.449) 9.041 4.126 ( -0.110 0.000 -4.595) 4.597 4.223 ( -0.409 0.000 -0.553) 0.688 4.253 ( -1.217 0.000 -9.929) 10.003 4.388 ( 1.465 0.000 -1.074) 1.816 4.441 ( -7.680 0.000 -3.224) 8.330 4.591 ( -8.279 0.000 -1.205) 8.366 4.615 ( 4.649 0.000 8.995) 10.125 4.819 ( -1.164 0.000 6.072) 6.183 4.914 ( -8.808 0.000 -3.440) 9.456 5.175 ( -5.437 0.000 1.127) 5.553 5.261 ( 1.889 0.000 1.237) 2.258 5.318 ( -13.982 0.000 -3.178) 14.339 5.373 ( -1.637 0.000 -2.821) 3.261 5.396 ( -4.937 0.000 -1.638) 5.201 5.499 ( -0.746 0.000 2.078) 2.208 5.720 ( 4.030 0.000 -6.916) 8.005 5.776 ( -6.909 0.000 -4.921) 8.483 6.028 ( 15.977 0.000 -5.307) 16.835 6.199 ( -0.662 0.000 1.607) 1.738 6.229 ( 1.974 0.000 -0.020) 1.974 6.278 ( 3.380 0.000 0.167) 3.384 6.356 ( 4.147 0.000 0.740) 4.213 6.393 ( 2.191 0.000 -3.062) 3.765 6.483 ( 0.938 0.000 -0.551) 1.088 6.616 ( 2.686 0.000 1.576) 3.114 6.692 ( 10.389 0.000 -5.006) 11.532 6.879 ( 0.410 0.000 11.211) 11.218 7.246 ( -1.141 0.000 7.740) 7.824 7.324 ( 4.596 0.000 0.584) 4.633 7.376 ( 2.941 0.000 0.007) 2.941 7.528 ( -0.297 0.000 -1.251) 1.286 7.592 ( -4.420 0.000 2.917) 5.296 7.759 ( -1.867 0.000 -9.555) 9.735 8.117 ( -8.150 0.000 3.588) 8.905 8.124 ( 0.576 0.000 5.655) 5.684 8.358 ( -4.981 0.000 -8.314) 9.692 8.514 ( -4.318 0.000 -4.451) 6.201 8.517 ( 2.156 0.000 -7.810) 8.102 8.960 ( -11.668 0.000 9.896) 15.299 9.031 ( -11.669 0.000 8.759) 14.591 9.335 ( -5.461 0.000 1.290) 5.612 9.347 ( -2.379 0.000 -2.079) 3.159 9.779 ( 17.380 0.000 8.254) 19.240 9.907 ( 7.454 0.000 4.277) 8.594 9.994 ( 16.522 0.000 4.315) 17.077 10.081 ( 1.850 0.000 2.686) 3.262 10.403 ( 7.095 0.000 5.645) 9.067 10.467 ( -0.158 0.000 2.647) 2.652 10.918 ( 3.889 0.000 -9.781) 10.525 10.975 ( 4.915 0.000 -5.056) 7.051 11.138 ( 14.926 0.000 36.021) 38.991 11.210 ( 14.802 0.000 28.720) 32.310 13.053 ( 11.710 0.000 -24.281) 26.957 13.072 ( 13.898 0.000 -24.420) 28.098 14.946 ( 1.869 0.000 25.342) 25.410 15.827 ( 7.436 0.000 -8.596) 11.366 17.241 ( -9.048 0.000 24.004) 25.653 18.684 ( -22.815 0.000 -23.336) 32.636 20.703 ( 4.192 0.000 3.297) 5.333 20.959 ( 11.954 0.000 -5.778) 13.277 21.959 ( -5.693 0.000 17.731) 18.623 22.347 ( 0.780 0.000 7.860) 7.899 22.458 ( 1.356 0.000 6.213) 6.359 22.775 ( -4.578 0.000 -6.819) 8.213 22.837 ( -2.795 0.000 -6.811) 7.362 23.158 ( -6.438 0.000 -18.947) 20.010 ======================= Grid point 137 (48/75) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -0.385 0.000 17.818) 17.822 1.449 ( 15.115 0.000 14.373) 20.858 1.715 ( -4.471 0.000 16.086) 16.696 1.762 ( -5.825 0.000 -11.447) 12.843 1.926 ( 5.912 0.000 -17.807) 18.763 1.973 ( 16.771 0.000 -3.913) 17.221 2.461 ( -6.203 0.000 -14.383) 15.663 2.732 ( -4.377 0.000 -12.756) 13.486 2.798 ( 7.644 0.000 14.496) 16.388 2.901 ( -3.548 0.000 17.208) 17.570 2.938 ( -3.586 0.000 14.238) 14.683 3.243 ( 0.231 0.000 16.251) 16.253 3.404 ( 5.508 0.000 -0.775) 5.563 3.415 ( 0.860 0.000 2.057) 2.230 3.564 ( 1.600 0.000 -2.764) 3.193 3.687 ( -10.758 0.000 -15.436) 18.815 3.798 ( -5.097 0.000 0.680) 5.142 4.015 ( -3.494 0.000 6.419) 7.308 4.108 ( -2.468 0.000 -3.509) 4.290 4.186 ( -6.578 0.000 -1.636) 6.778 4.243 ( 0.689 0.000 -6.705) 6.740 4.271 ( -5.090 0.000 -7.622) 9.165 4.366 ( -2.224 0.000 -1.139) 2.499 4.489 ( -3.153 0.000 -3.228) 4.512 4.559 ( -6.669 0.000 -0.002) 6.669 4.741 ( -9.416 0.000 -4.862) 10.597 4.873 ( 1.295 0.000 4.865) 5.034 4.996 ( -11.096 0.000 1.360) 11.179 5.049 ( -12.959 0.000 0.056) 12.959 5.180 ( -9.117 0.000 -5.293) 10.542 5.276 ( -6.735 0.000 0.168) 6.737 5.392 ( 4.368 0.000 3.546) 5.626 5.604 ( -9.838 0.000 -3.141) 10.328 5.604 ( 8.860 0.000 12.784) 15.554 5.841 ( 7.634 0.000 -3.279) 8.309 6.188 ( 2.164 0.000 0.024) 2.164 6.201 ( 0.662 0.000 1.745) 1.867 6.277 ( 2.039 0.000 4.751) 5.170 6.334 ( 1.962 0.000 1.148) 2.273 6.423 ( 3.025 0.000 1.921) 3.583 6.509 ( 1.064 0.000 1.905) 2.182 6.561 ( 13.924 0.000 -8.538) 16.333 6.679 ( 4.113 0.000 -0.471) 4.140 6.831 ( -1.040 0.000 4.438) 4.559 6.950 ( 11.031 0.000 -2.017) 11.214 7.200 ( -3.814 0.000 9.786) 10.503 7.423 ( 4.743 0.000 3.276) 5.764 7.460 ( 5.119 0.000 0.372) 5.133 7.537 ( 2.361 0.000 -1.769) 2.950 7.558 ( 2.233 0.000 -1.824) 2.884 7.708 ( -2.600 0.000 -11.489) 11.780 8.007 ( -3.259 0.000 1.060) 3.427 8.145 ( 0.973 0.000 2.848) 3.010 8.238 ( -7.276 0.000 -10.478) 12.756 8.394 ( -6.816 0.000 -3.111) 7.492 8.502 ( -2.712 0.000 -6.538) 7.078 8.782 ( -8.218 0.000 7.460) 11.099 8.839 ( -9.075 0.000 5.122) 10.421 9.152 ( -12.214 0.000 -2.681) 12.505 9.232 ( -8.765 0.000 -6.696) 11.030 10.075 ( 9.507 0.000 4.560) 10.544 10.086 ( 12.974 0.000 7.414) 14.943 10.191 ( 9.196 0.000 2.646) 9.569 10.324 ( 15.326 0.000 1.678) 15.418 10.487 ( 3.493 0.000 6.402) 7.293 10.551 ( 8.579 0.000 9.350) 12.689 11.003 ( 4.363 0.000 -7.070) 8.308 11.080 ( 5.150 0.000 -3.445) 6.196 11.545 ( 27.202 0.000 37.348) 46.205 11.602 ( 26.406 0.000 32.650) 41.992 13.295 ( 11.137 0.000 -16.067) 19.550 13.341 ( 11.812 0.000 -16.375) 20.191 15.031 ( 8.163 0.000 21.548) 23.042 16.024 ( 13.088 0.000 -12.036) 17.781 16.997 ( -16.486 0.000 19.825) 25.784 18.160 ( -30.486 0.000 -19.209) 36.033 20.816 ( 7.522 0.000 5.193) 9.140 21.229 ( 15.747 0.000 -9.046) 18.160 21.814 ( -9.291 0.000 16.123) 18.609 22.372 ( 1.875 0.000 4.030) 4.445 22.485 ( 1.360 0.000 3.878) 4.110 22.647 ( -8.846 0.000 -7.967) 11.904 22.766 ( -4.500 0.000 -6.508) 7.912 23.000 ( -9.553 0.000 -14.937) 17.730 ======================= Grid point 138 (49/75) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 9.979 0.000 6.209) 11.753 1.662 ( 4.455 0.000 7.656) 8.858 1.699 ( 0.004 0.000 -7.792) 7.792 1.765 ( 12.233 0.000 11.920) 17.080 2.112 ( 12.695 0.000 -18.594) 22.515 2.201 ( -0.187 0.000 -2.494) 2.501 2.317 ( -7.767 0.000 -15.549) 17.381 2.462 ( -22.767 0.000 8.721) 24.380 2.638 ( 4.742 0.000 -13.684) 14.482 2.819 ( -6.442 0.000 11.244) 12.958 3.240 ( -1.377 0.000 2.068) 2.485 3.274 ( 15.552 0.000 15.629) 22.048 3.431 ( -0.110 0.000 5.750) 5.751 3.464 ( -9.460 0.000 -9.244) 13.226 3.527 ( 5.151 0.000 7.097) 8.769 3.576 ( -2.213 0.000 -2.307) 3.197 3.708 ( -2.429 0.000 -0.097) 2.431 3.951 ( -3.749 0.000 2.495) 4.503 4.046 ( -4.124 0.000 -4.472) 6.083 4.065 ( -0.250 0.000 -1.461) 1.483 4.264 ( 1.668 0.000 -8.841) 8.997 4.272 ( 1.894 0.000 -4.138) 4.551 4.320 ( -3.261 0.000 -1.667) 3.663 4.432 ( -4.391 0.000 -6.322) 7.697 4.456 ( -3.187 0.000 -1.604) 3.568 4.573 ( -6.606 0.000 -1.001) 6.682 4.743 ( -11.501 0.000 1.133) 11.557 4.799 ( -9.390 0.000 1.938) 9.588 4.925 ( -1.387 0.000 1.487) 2.034 5.011 ( -7.306 0.000 -5.493) 9.141 5.131 ( -8.175 0.000 -0.153) 8.177 5.340 ( -11.481 0.000 -2.849) 11.829 5.617 ( 11.547 0.000 10.089) 15.334 5.778 ( 9.119 0.000 14.629) 17.238 5.975 ( 5.806 0.000 1.153) 5.919 6.187 ( -2.346 0.000 1.416) 2.740 6.214 ( 0.812 0.000 2.577) 2.702 6.292 ( -0.003 0.000 9.034) 9.034 6.350 ( -0.203 0.000 1.273) 1.289 6.453 ( -1.413 0.000 5.543) 5.720 6.528 ( 2.286 0.000 2.386) 3.304 6.742 ( 5.320 0.000 2.520) 5.886 6.762 ( -4.827 0.000 8.556) 9.824 6.830 ( 10.016 0.000 -10.004) 14.156 7.126 ( -2.842 0.000 6.520) 7.113 7.164 ( 10.361 0.000 -7.898) 13.028 7.428 ( -4.651 0.000 -0.954) 4.748 7.540 ( 2.349 0.000 -0.334) 2.372 7.624 ( 6.234 0.000 -2.502) 6.717 7.678 ( 8.896 0.000 -2.624) 9.275 7.738 ( 6.878 0.000 -9.453) 11.691 7.988 ( 0.955 0.000 1.007) 1.388 8.107 ( -5.536 0.000 -13.752) 14.825 8.133 ( -2.573 0.000 1.071) 2.787 8.298 ( -3.415 0.000 -3.965) 5.233 8.443 ( -4.062 0.000 -7.272) 8.330 8.631 ( -7.176 0.000 4.316) 8.374 8.689 ( -5.562 0.000 1.107) 5.671 8.907 ( -13.076 0.000 -3.933) 13.655 9.044 ( -10.640 0.000 -8.364) 13.534 10.242 ( 7.786 0.000 4.530) 9.008 10.270 ( 7.446 0.000 7.346) 10.460 10.353 ( 6.008 0.000 1.320) 6.151 10.444 ( 0.713 0.000 2.057) 2.177 10.694 ( 14.489 0.000 6.704) 15.964 10.735 ( 10.606 0.000 10.248) 14.748 11.061 ( 1.304 0.000 -3.125) 3.386 11.139 ( 0.586 0.000 -1.747) 1.843 12.120 ( 32.130 0.000 35.893) 48.173 12.180 ( 33.256 0.000 33.809) 47.423 13.382 ( -3.390 0.000 1.983) 3.927 13.447 ( -1.729 0.000 -0.562) 1.818 15.286 ( 18.834 0.000 12.665) 22.696 16.309 ( 16.812 0.000 -16.519) 23.569 16.631 ( -21.760 0.000 14.472) 26.133 17.587 ( -29.116 0.000 -19.645) 35.124 20.981 ( 9.806 0.000 7.556) 12.379 21.537 ( 16.519 0.000 -10.730) 19.697 21.618 ( -11.172 0.000 14.221) 18.084 22.382 ( -5.873 0.000 -7.049) 9.175 22.482 ( -3.327 0.000 -3.051) 4.515 22.509 ( 1.360 0.000 0.745) 1.551 22.677 ( -4.672 0.000 -5.757) 7.414 22.819 ( -9.215 0.000 -10.300) 13.820 ======================= Grid point 139 (50/75) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 15.423 0.000 -2.972) 15.707 1.779 ( 8.593 0.000 -0.010) 8.593 1.783 ( 8.460 0.000 -3.459) 9.139 1.915 ( -1.358 0.000 1.316) 1.892 2.000 ( -14.312 0.000 -1.401) 14.380 2.063 ( -18.986 0.000 0.071) 18.986 2.227 ( 4.427 0.000 -4.155) 6.071 2.331 ( 1.641 0.000 -2.869) 3.305 2.720 ( 4.305 0.000 -5.261) 6.797 2.928 ( 19.581 0.000 -10.513) 22.225 3.002 ( -19.016 0.000 -17.888) 26.107 3.272 ( -14.839 0.000 -7.997) 16.857 3.477 ( 5.928 0.000 8.248) 10.157 3.484 ( 4.417 0.000 16.404) 16.988 3.523 ( -1.058 0.000 10.648) 10.700 3.563 ( -1.959 0.000 8.213) 8.443 3.757 ( 5.576 0.000 -1.923) 5.899 3.865 ( -5.274 0.000 -0.506) 5.298 4.072 ( 6.438 0.000 -5.531) 8.488 4.120 ( 5.260 0.000 -0.641) 5.299 4.230 ( -5.781 0.000 -2.088) 6.147 4.233 ( -8.029 0.000 -6.775) 10.505 4.313 ( 2.063 0.000 -6.415) 6.739 4.336 ( -1.469 0.000 -5.570) 5.760 4.456 ( 2.867 0.000 0.728) 2.958 4.547 ( 2.660 0.000 1.875) 3.255 4.556 ( -7.695 0.000 1.720) 7.885 4.642 ( -6.995 0.000 2.221) 7.339 4.934 ( -0.451 0.000 -4.097) 4.122 4.955 ( 5.031 0.000 -0.151) 5.034 4.991 ( -5.929 0.000 -2.123) 6.298 5.114 ( -11.147 0.000 -1.492) 11.246 5.859 ( 12.833 0.000 10.887) 16.829 5.936 ( 7.108 0.000 11.818) 13.790 6.024 ( -1.387 0.000 6.495) 6.642 6.075 ( -9.328 0.000 8.039) 12.314 6.259 ( 4.648 0.000 4.900) 6.754 6.304 ( 1.388 0.000 4.970) 5.160 6.333 ( -1.411 0.000 2.421) 2.802 6.371 ( -6.128 0.000 7.540) 9.716 6.594 ( 3.987 0.000 3.391) 5.234 6.673 ( -4.429 0.000 5.641) 7.172 6.840 ( 4.957 0.000 2.861) 5.723 6.913 ( -1.605 0.000 0.573) 1.705 7.156 ( 6.282 0.000 -4.348) 7.640 7.300 ( -7.883 0.000 -5.501) 9.613 7.342 ( 8.800 0.000 -5.648) 10.456 7.493 ( -6.448 0.000 -2.831) 7.042 7.780 ( 9.201 0.000 -4.355) 10.179 7.841 ( 7.600 0.000 -3.367) 8.313 7.896 ( 5.206 0.000 -5.117) 7.300 7.936 ( -6.764 0.000 -2.413) 7.181 8.087 ( 0.805 0.000 -1.085) 1.351 8.134 ( 7.670 0.000 -9.485) 12.198 8.207 ( -7.417 0.000 -4.796) 8.833 8.309 ( -9.537 0.000 -7.394) 12.068 8.565 ( 1.547 0.000 1.013) 1.849 8.682 ( -9.891 0.000 -2.927) 10.315 8.690 ( 5.372 0.000 -4.228) 6.836 8.845 ( -10.009 0.000 -7.746) 12.656 10.363 ( 4.929 0.000 4.508) 6.680 10.377 ( 3.802 0.000 5.871) 6.995 10.410 ( 0.415 0.000 3.658) 3.681 10.429 ( -2.125 0.000 3.930) 4.468 10.923 ( 8.526 0.000 6.399) 10.660 10.939 ( 10.886 0.000 3.994) 11.596 11.040 ( -3.651 0.000 1.544) 3.964 11.094 ( -5.358 0.000 1.096) 5.469 12.707 ( 28.722 0.000 30.131) 41.627 12.795 ( 30.014 0.000 28.456) 41.359 13.165 ( -18.719 0.000 19.201) 26.816 13.259 ( -17.912 0.000 16.390) 24.279 15.710 ( 24.794 0.000 7.819) 25.998 16.187 ( -24.838 0.000 9.620) 26.636 16.658 ( 20.112 0.000 -20.263) 28.549 17.078 ( -24.496 0.000 -21.248) 32.427 21.181 ( 11.195 0.000 9.935) 14.968 21.400 ( -11.715 0.000 12.160) 16.885 21.848 ( 16.267 0.000 -11.575) 19.965 22.146 ( -15.022 0.000 -11.760) 19.077 22.537 ( 5.373 0.000 -3.128) 6.217 22.542 ( 2.219 0.000 -2.177) 3.108 22.597 ( -3.633 0.000 -4.363) 5.677 22.659 ( -7.517 0.000 -6.564) 9.979 ======================= Grid point 144 (51/75) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.000 4.178 13.801) 14.420 1.543 ( 0.000 5.100 1.333) 5.272 1.665 ( 0.000 -17.442 0.921) 17.467 1.752 ( 0.000 -2.883 -6.966) 7.539 1.855 ( 0.000 7.709 11.723) 14.030 2.185 ( 0.000 9.528 16.845) 19.353 2.289 ( 0.000 -9.213 14.537) 17.210 2.326 ( 0.000 5.989 11.864) 13.290 2.662 ( 0.000 4.170 -0.618) 4.216 2.976 ( 0.000 0.666 -3.574) 3.635 3.027 ( 0.000 -10.836 9.925) 14.694 3.136 ( 0.000 -9.024 -6.474) 11.106 3.458 ( 0.000 1.863 -1.020) 2.124 3.506 ( 0.000 -1.692 7.692) 7.876 3.706 ( 0.000 13.253 -10.986) 17.215 3.937 ( 0.000 3.647 -5.512) 6.609 4.051 ( 0.000 -1.558 2.593) 3.025 4.072 ( 0.000 -2.607 -4.783) 5.447 4.196 ( 0.000 0.997 -3.572) 3.708 4.214 ( 0.000 0.853 2.100) 2.266 4.291 ( 0.000 0.346 3.143) 3.162 4.315 ( 0.000 4.457 3.650) 5.761 4.486 ( 0.000 -2.391 -4.249) 4.875 4.549 ( 0.000 -5.822 3.250) 6.668 4.651 ( 0.000 5.316 3.906) 6.597 4.958 ( 0.000 1.711 8.879) 9.043 5.047 ( 0.000 2.157 1.729) 2.765 5.133 ( 0.000 -1.234 0.388) 1.293 5.233 ( 0.000 -0.840 -6.909) 6.959 5.334 ( 0.000 -4.402 4.622) 6.383 5.339 ( 0.000 -1.584 -5.530) 5.752 5.588 ( 0.000 -5.588 -5.019) 7.511 5.616 ( 0.000 -2.436 -8.881) 9.209 5.649 ( 0.000 5.332 -4.563) 7.018 5.653 ( 0.000 -3.221 -6.439) 7.200 5.835 ( 0.000 -2.574 -5.244) 5.842 6.231 ( 0.000 2.063 -2.138) 2.971 6.243 ( 0.000 2.019 -1.262) 2.381 6.259 ( 0.000 1.700 -2.282) 2.846 6.317 ( 0.000 0.952 -1.795) 2.032 6.420 ( 0.000 2.576 1.185) 2.836 6.477 ( 0.000 -0.709 -0.289) 0.766 6.535 ( 0.000 -3.579 3.093) 4.730 6.545 ( 0.000 -2.433 2.202) 3.282 6.949 ( 0.000 6.045 7.765) 9.840 7.201 ( 0.000 -4.671 6.068) 7.657 7.297 ( 0.000 2.546 -1.552) 2.982 7.414 ( 0.000 4.694 2.533) 5.333 7.466 ( 0.000 -4.711 -2.051) 5.138 7.609 ( 0.000 -3.445 5.107) 6.160 7.885 ( 0.000 8.869 -8.993) 12.630 8.146 ( 0.000 1.900 6.756) 7.018 8.212 ( 0.000 -2.466 4.154) 4.830 8.363 ( 0.000 -6.652 -11.546) 13.326 8.448 ( 0.000 1.829 -2.842) 3.379 8.530 ( 0.000 -1.430 -3.980) 4.229 9.187 ( 0.000 1.557 1.363) 2.069 9.252 ( 0.000 -1.069 1.367) 1.736 9.279 ( 0.000 0.440 13.104) 13.112 9.310 ( 0.000 -0.392 12.302) 12.309 9.615 ( 0.000 3.672 6.341) 7.328 9.781 ( 0.000 -3.292 4.480) 5.559 9.870 ( 0.000 3.791 2.234) 4.401 10.051 ( 0.000 -3.200 0.533) 3.244 10.346 ( 0.000 2.441 3.767) 4.488 10.453 ( 0.000 -1.876 2.200) 2.891 10.887 ( 0.000 0.848 -11.080) 11.113 10.924 ( 0.000 -0.345 -11.560) 11.565 11.005 ( 0.000 0.868 34.719) 34.730 11.050 ( 0.000 -0.873 32.817) 32.828 12.925 ( 0.000 0.228 -25.560) 25.561 12.931 ( 0.000 -0.048 -25.645) 25.645 15.259 ( 0.000 31.715 26.036) 41.033 15.945 ( 0.000 17.838 -3.961) 18.272 17.039 ( 0.000 -25.011 18.128) 30.889 17.743 ( 0.000 -78.678 3.374) 78.751 21.060 ( 0.000 19.464 2.843) 19.670 21.573 ( 0.000 54.895 -19.983) 58.419 21.877 ( 0.000 -12.986 16.765) 21.206 22.351 ( 0.000 0.918 8.470) 8.520 22.435 ( 0.000 -0.465 7.316) 7.330 22.830 ( 0.000 0.916 -6.413) 6.478 22.861 ( 0.000 -0.364 -6.786) 6.796 23.065 ( 0.000 -15.422 -21.966) 26.839 ======================= Grid point 145 (52/75) ======================= q-point: ( 0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 7.574 1.931 14.594) 16.556 1.558 ( -2.319 6.808 14.022) 15.759 1.632 ( -3.119 -14.296 4.580) 15.332 1.761 ( 2.424 3.850 -0.651) 4.596 1.781 ( 2.123 -1.817 -7.610) 8.107 2.007 ( -11.314 -1.481 4.693) 12.338 2.488 ( 18.737 5.187 12.378) 23.048 2.543 ( 4.849 3.771 0.769) 6.191 2.666 ( 4.496 0.949 8.823) 9.948 2.881 ( -4.196 -5.537 1.058) 7.027 3.132 ( 4.552 -2.935 8.375) 9.974 3.168 ( 3.395 -5.608 -2.995) 7.207 3.403 ( -7.077 1.864 6.776) 9.974 3.440 ( -4.439 -0.795 2.961) 5.395 3.694 ( -1.528 11.543 -9.738) 15.179 3.852 ( -7.821 0.883 -7.057) 10.571 3.909 ( -9.169 -0.985 2.807) 9.639 4.078 ( -1.200 -3.532 -2.371) 4.420 4.121 ( -3.631 1.624 0.977) 4.095 4.211 ( -1.128 -1.447 -0.393) 1.876 4.236 ( -0.279 1.074 -5.658) 5.766 4.409 ( -7.685 -3.671 -6.074) 10.461 4.446 ( 0.489 2.979 -0.647) 3.088 4.521 ( -2.130 -1.333 1.677) 3.021 4.708 ( 6.057 5.583 8.341) 11.723 4.872 ( -7.819 3.638 3.052) 9.148 4.913 ( -8.875 0.208 -3.184) 9.431 5.128 ( -8.543 -4.955 2.077) 10.092 5.224 ( -1.714 -3.070 0.173) 3.520 5.233 ( -7.499 -5.092 -1.616) 9.207 5.380 ( 2.076 0.200 -1.705) 2.694 5.407 ( -2.324 1.103 0.618) 2.646 5.546 ( -4.999 2.912 -1.770) 6.050 5.714 ( -2.672 -3.413 -4.638) 6.348 5.759 ( 3.208 1.317 -6.323) 7.212 5.916 ( 9.671 -5.908 -3.829) 11.962 6.210 ( -0.322 -0.747 1.270) 1.508 6.262 ( -0.474 -1.474 -0.533) 1.638 6.302 ( 6.616 2.071 -7.374) 10.121 6.368 ( 3.124 5.200 1.436) 6.234 6.420 ( 2.003 0.980 -0.816) 2.375 6.509 ( 3.280 2.037 1.690) 4.214 6.584 ( 4.223 -1.874 2.376) 5.195 6.651 ( 9.498 -3.792 -3.331) 10.755 6.949 ( -0.032 5.627 9.573) 11.104 7.193 ( -0.921 -4.644 7.433) 8.813 7.333 ( 3.497 1.475 -0.302) 3.807 7.419 ( 0.741 1.600 1.505) 2.318 7.478 ( 1.300 -1.339 -0.981) 2.108 7.594 ( -1.271 -1.583 2.140) 2.950 7.846 ( -3.310 7.491 -8.877) 12.077 8.095 ( -6.759 -1.770 2.847) 7.545 8.144 ( -1.459 1.466 4.034) 4.533 8.307 ( -4.654 -4.797 -7.747) 10.231 8.502 ( 0.309 -0.648 -5.362) 5.410 8.513 ( -1.784 -0.400 -5.440) 5.739 8.971 ( -11.910 0.972 9.818) 15.465 9.015 ( -11.816 -1.092 9.308) 15.081 9.354 ( -2.993 1.574 -0.268) 3.392 9.370 ( -3.168 1.467 -1.167) 3.681 9.793 ( 15.413 1.608 7.879) 17.384 9.903 ( 8.749 -1.353 5.635) 10.494 9.986 ( 14.147 0.228 3.402) 14.552 10.061 ( 3.066 -1.852 2.164) 4.185 10.414 ( 5.824 0.913 5.222) 7.875 10.457 ( 0.879 -0.867 3.204) 3.433 10.930 ( 4.301 1.144 -9.074) 10.107 10.974 ( 5.077 -0.225 -5.949) 7.824 11.148 ( 14.841 0.933 35.116) 38.135 11.199 ( 14.822 -0.995 29.773) 33.273 13.057 ( 12.020 0.335 -24.294) 27.107 13.071 ( 13.552 -0.169 -24.390) 27.903 15.250 ( -0.430 29.145 24.059) 37.795 16.023 ( 7.814 18.618 -4.224) 20.628 16.932 ( -10.517 -28.154 15.810) 33.959 17.726 ( -2.581 -66.458 2.792) 66.566 21.013 ( -4.001 20.201 0.380) 20.597 21.617 ( 4.153 47.306 -15.315) 49.896 21.825 ( -5.255 -12.410 15.449) 20.502 22.357 ( 0.721 0.858 7.349) 7.434 22.443 ( 0.739 -0.992 6.421) 6.539 22.788 ( -4.456 0.843 -7.075) 8.403 22.832 ( -2.922 -0.474 -6.706) 7.330 23.008 ( -5.564 -14.527 -19.399) 24.866 ======================= Grid point 146 (53/75) ======================= q-point: ( 0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 5.993 -0.920 17.010) 18.059 1.535 ( 1.225 1.058 12.238) 12.345 1.584 ( 2.239 -3.603 8.167) 9.203 1.784 ( -1.929 -1.517 1.713) 2.993 1.943 ( 6.497 1.074 -15.574) 16.909 1.966 ( 14.015 -0.557 -6.505) 15.461 2.441 ( -8.655 -0.521 -10.679) 13.756 2.637 ( -8.183 -7.445 -6.943) 13.061 2.837 ( 6.686 4.830 9.180) 12.342 2.973 ( 3.434 3.141 14.283) 15.022 3.022 ( -0.967 6.705 11.378) 13.242 3.268 ( -4.536 0.321 11.944) 12.781 3.310 ( 8.022 -3.149 2.664) 9.020 3.422 ( 2.742 -1.333 5.830) 6.579 3.627 ( -6.638 2.122 -8.805) 11.229 3.694 ( -7.217 1.119 -8.612) 11.292 3.798 ( -2.786 1.701 -1.680) 3.672 4.039 ( -3.081 -5.296 -6.720) 9.094 4.049 ( -3.490 3.048 4.852) 6.709 4.191 ( -0.861 -2.220 -0.090) 2.383 4.231 ( -1.572 -0.172 -6.032) 6.236 4.256 ( -6.308 -1.296 -7.870) 10.169 4.380 ( -4.315 2.726 -0.060) 5.105 4.470 ( -3.626 0.006 -2.835) 4.603 4.663 ( -8.725 5.922 -2.941) 10.947 4.717 ( -7.413 -0.740 -1.994) 7.712 4.865 ( -2.395 -4.861 4.258) 6.892 4.888 ( -11.788 -3.971 -2.068) 12.609 5.031 ( -9.693 -0.213 0.420) 9.704 5.191 ( -5.356 -3.658 3.139) 7.206 5.308 ( -9.330 4.814 -5.266) 11.745 5.419 ( 2.827 1.814 3.034) 4.526 5.569 ( -3.107 -1.542 2.165) 4.089 5.619 ( 5.962 -0.526 8.591) 10.470 5.875 ( 6.669 3.052 -2.208) 7.659 6.032 ( 3.036 -6.314 0.179) 7.009 6.225 ( 1.187 -3.744 2.840) 4.847 6.246 ( -0.719 -3.582 3.371) 4.971 6.375 ( 0.904 4.284 -0.568) 4.415 6.447 ( 3.899 2.565 0.691) 4.718 6.563 ( 9.963 0.618 -4.638) 11.007 6.574 ( 4.385 3.794 0.806) 5.854 6.677 ( 5.854 0.464 -1.568) 6.078 6.815 ( 3.575 -3.307 -3.693) 6.111 6.965 ( 4.398 2.831 6.799) 8.578 7.155 ( -3.144 -4.037 9.971) 11.207 7.421 ( 4.955 0.234 1.980) 5.341 7.457 ( 4.065 -0.601 0.629) 4.157 7.537 ( 5.009 1.493 -2.169) 5.659 7.586 ( 1.193 0.743 -1.948) 2.402 7.781 ( -2.907 6.155 -10.652) 12.641 7.996 ( -3.177 -1.532 -1.463) 3.818 8.133 ( -0.397 -0.672 2.354) 2.480 8.195 ( -6.786 -3.423 -7.426) 10.626 8.413 ( -5.761 1.433 -4.125) 7.229 8.483 ( -3.116 -1.635 -5.359) 6.411 8.790 ( -8.244 0.684 7.045) 10.866 8.826 ( -8.686 -0.850 6.070) 10.631 9.198 ( -11.424 3.334 -3.790) 12.489 9.245 ( -9.156 0.906 -6.429) 11.224 10.043 ( 10.093 -1.295 5.274) 11.462 10.080 ( 9.380 -1.606 7.344) 12.021 10.205 ( 10.991 1.264 1.296) 11.140 10.291 ( 14.017 -2.610 1.066) 14.298 10.500 ( 5.260 1.178 7.540) 9.268 10.548 ( 8.141 -0.469 9.237) 12.322 11.025 ( 4.868 1.904 -6.534) 8.367 11.082 ( 5.254 -0.090 -4.148) 6.695 11.552 ( 27.141 0.737 36.822) 45.750 11.594 ( 26.548 -0.775 33.385) 42.661 13.302 ( 11.205 0.637 -16.091) 19.618 13.335 ( 11.669 -0.583 -16.292) 20.048 15.276 ( 4.163 23.226 17.726) 29.512 16.218 ( 12.328 18.397 -6.033) 22.952 16.678 ( -15.411 -28.651 10.479) 34.179 17.618 ( -9.084 -41.997 -0.019) 42.968 20.954 ( -1.337 14.987 -1.282) 15.101 21.673 ( -6.734 -4.613 9.375) 12.431 21.732 ( 4.172 27.502 -6.231) 28.506 22.381 ( 1.785 0.698 3.883) 4.330 22.459 ( 0.840 -1.771 3.884) 4.350 22.664 ( -8.430 0.471 -8.393) 11.905 22.758 ( -4.718 -0.756 -6.377) 7.968 22.880 ( -7.379 -11.148 -13.427) 18.948 ======================= Grid point 147 (54/75) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 8.338 -1.767 9.463) 12.736 1.534 ( 1.462 -5.878 5.391) 8.109 1.769 ( 11.345 1.474 9.533) 14.892 1.805 ( 5.394 3.598 -1.169) 6.589 2.121 ( 8.672 0.186 -15.138) 17.447 2.181 ( 2.543 -2.305 -5.915) 6.839 2.270 ( -5.662 0.228 -10.108) 11.588 2.527 ( -2.371 -4.613 -9.095) 10.470 2.608 ( -12.175 5.974 2.561) 13.801 2.839 ( -11.553 -0.009 3.462) 12.060 3.217 ( 0.086 -0.544 3.029) 3.079 3.338 ( 10.563 0.623 14.847) 18.232 3.390 ( -5.549 -1.095 -6.006) 8.250 3.455 ( 0.427 1.700 3.855) 4.235 3.519 ( 3.111 0.940 5.233) 6.160 3.604 ( -2.382 -0.179 1.118) 2.637 3.777 ( 0.198 5.359 -4.241) 6.837 3.953 ( -4.267 0.269 -1.728) 4.611 4.036 ( 1.188 -1.620 -0.194) 2.018 4.110 ( -4.074 4.594 -3.937) 7.294 4.191 ( -0.865 -5.839 -4.172) 7.228 4.253 ( 1.873 -1.244 -5.492) 5.934 4.337 ( -0.568 0.325 -1.243) 1.404 4.382 ( -5.217 -1.053 -3.795) 6.537 4.500 ( -8.793 0.381 -5.720) 10.497 4.615 ( -3.173 2.178 1.111) 4.005 4.629 ( -10.641 -4.664 -0.673) 11.637 4.839 ( -1.842 -5.281 -0.832) 5.655 4.874 ( -7.164 4.335 2.690) 8.795 5.056 ( -7.606 -1.597 0.011) 7.772 5.138 ( -7.967 3.445 -2.864) 9.140 5.310 ( -10.708 -2.758 -2.982) 11.452 5.659 ( 10.353 3.833 10.438) 15.193 5.795 ( 9.889 0.613 15.383) 18.298 5.984 ( 4.172 0.866 2.283) 4.834 6.060 ( 0.746 -5.154 0.791) 5.267 6.216 ( -1.898 -5.282 4.817) 7.396 6.247 ( -0.594 -3.930 8.571) 9.448 6.381 ( 0.580 7.029 0.597) 7.078 6.518 ( 3.680 0.778 1.906) 4.217 6.593 ( -0.809 6.319 3.489) 7.264 6.711 ( 2.860 -1.866 3.553) 4.928 6.772 ( -3.253 -0.155 5.168) 6.108 6.823 ( 7.143 -0.913 -8.222) 10.929 7.102 ( 0.586 -1.682 4.084) 4.456 7.128 ( 8.493 -2.661 -4.505) 9.976 7.447 ( -3.705 1.748 -0.856) 4.185 7.529 ( 1.082 -1.154 -0.055) 1.583 7.647 ( 7.148 1.968 -3.502) 8.199 7.686 ( 9.013 0.320 -2.933) 9.483 7.792 ( 5.020 4.621 -9.587) 11.767 7.982 ( 2.367 -1.729 -4.417) 5.301 8.068 ( -6.142 -1.722 -6.842) 9.354 8.111 ( -2.121 -1.833 0.872) 2.936 8.321 ( -4.327 1.666 -5.004) 6.822 8.413 ( -4.676 -2.407 -5.467) 7.586 8.645 ( -6.354 1.227 3.001) 7.133 8.686 ( -5.223 -0.089 1.859) 5.545 8.966 ( -12.303 4.342 -4.992) 13.969 9.051 ( -10.840 0.343 -7.820) 13.371 10.205 ( 7.146 -2.186 4.486) 8.716 10.233 ( 6.617 -2.826 6.573) 9.746 10.371 ( 5.595 1.042 1.217) 5.820 10.427 ( 2.255 -1.632 1.690) 3.256 10.699 ( 13.381 0.836 7.788) 15.505 10.734 ( 11.049 -0.222 9.836) 14.794 11.090 ( 1.606 2.347 -2.823) 4.007 11.145 ( 0.933 0.232 -1.838) 2.074 12.129 ( 32.330 0.839 35.620) 48.111 12.172 ( 33.113 -0.772 34.110) 47.546 13.392 ( -3.042 0.963 1.515) 3.532 13.438 ( -1.885 -0.804 -0.252) 2.065 15.432 ( 12.348 13.990 7.474) 20.101 16.361 ( -15.436 -21.324 3.892) 26.611 16.484 ( 13.212 14.511 -8.592) 21.423 17.388 ( -14.759 -18.426 -4.830) 24.098 20.979 ( 4.079 4.823 -0.155) 6.318 21.488 ( -10.869 -11.452 9.158) 18.252 21.867 ( 8.383 23.762 -6.930) 26.133 22.403 ( -2.589 1.266 -4.424) 5.280 22.467 ( -0.205 -1.332 -0.229) 1.367 22.512 ( -3.677 -0.183 -3.363) 4.986 22.664 ( -4.916 -1.118 -5.623) 7.552 22.744 ( -6.812 -6.627 -8.638) 12.843 ======================= Grid point 148 (55/75) ======================= q-point: ( 0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 5.428 -7.368 4.205) 10.071 1.626 ( 5.061 -7.648 4.759) 10.332 1.898 ( 3.069 4.030 -2.972) 5.873 1.962 ( 8.940 7.247 -3.348) 11.985 2.041 ( -8.467 1.019 -7.775) 11.540 2.196 ( 7.709 -0.875 3.303) 8.432 2.228 ( -16.177 8.071 -1.153) 18.116 2.364 ( -1.376 2.774 -0.354) 3.117 2.679 ( 5.805 -2.852 -9.457) 11.457 2.833 ( 15.925 -7.228 -12.968) 21.772 2.992 ( -17.174 -0.744 -17.694) 24.669 3.169 ( -14.757 -7.775 -8.907) 18.909 3.519 ( 4.784 3.141 9.008) 10.672 3.522 ( 4.478 2.894 15.225) 16.132 3.552 ( 0.389 2.411 9.970) 10.265 3.596 ( -1.280 2.050 9.508) 9.810 3.813 ( 3.614 4.279 -4.185) 6.992 3.886 ( -3.476 1.580 -2.409) 4.515 4.067 ( 3.305 -1.503 -4.205) 5.555 4.133 ( 3.143 1.075 -3.539) 4.854 4.159 ( -1.421 -3.653 -3.467) 5.233 4.260 ( -5.621 0.642 -3.626) 6.720 4.295 ( 0.251 -1.184 -3.294) 3.509 4.323 ( -2.521 -1.085 -3.519) 4.462 4.397 ( 0.553 -2.871 -0.553) 2.975 4.459 ( -5.728 -5.057 -0.045) 7.641 4.639 ( 3.745 5.818 1.430) 7.066 4.740 ( -6.466 5.547 2.486) 8.875 4.856 ( 3.298 -4.393 -2.000) 5.846 4.939 ( -4.897 -3.230 -1.211) 5.990 5.032 ( -1.693 3.029 -1.860) 3.937 5.112 ( -9.014 -0.521 -1.677) 9.183 5.851 ( 8.914 0.641 9.668) 13.166 5.964 ( 1.709 -1.672 9.756) 10.045 5.999 ( 3.848 1.724 11.307) 12.068 6.110 ( 3.612 -1.837 2.197) 4.610 6.149 ( -5.767 -3.203 11.926) 13.629 6.190 ( -4.194 -3.466 6.857) 8.754 6.429 ( 4.433 5.237 2.472) 7.293 6.528 ( -5.116 5.079 4.999) 8.773 6.590 ( 3.371 1.906 2.858) 4.813 6.657 ( -3.860 -0.604 4.991) 6.338 6.815 ( 3.728 -2.351 2.052) 4.862 6.869 ( -1.411 -3.846 0.474) 4.124 7.172 ( 6.738 1.566 -4.890) 8.472 7.282 ( 2.615 -2.501 -6.355) 7.313 7.344 ( -1.473 1.529 -4.857) 5.301 7.464 ( -6.748 -2.558 -3.293) 7.932 7.806 ( 8.501 2.117 -3.791) 9.546 7.855 ( 7.667 0.631 -3.149) 8.312 7.915 ( 3.333 1.785 -5.910) 7.016 7.953 ( -5.735 1.289 -3.545) 6.864 8.080 ( 2.140 -1.218 -2.121) 3.250 8.095 ( 8.009 -2.254 -5.437) 9.939 8.210 ( -7.963 0.238 -5.289) 9.563 8.275 ( -9.600 -2.426 -5.351) 11.255 8.598 ( 1.957 2.439 -1.161) 3.336 8.656 ( -0.024 -0.435 -4.181) 4.203 8.774 ( -5.121 4.704 -3.677) 7.866 8.854 ( -9.267 0.605 -6.746) 11.478 10.307 ( 3.337 -3.090 4.183) 6.179 10.320 ( 2.149 -3.476 4.891) 6.374 10.431 ( 1.346 0.436 3.857) 4.109 10.442 ( -0.082 -0.071 4.284) 4.285 10.917 ( 8.290 -0.055 5.201) 9.787 10.928 ( 8.109 -0.398 4.755) 9.409 11.081 ( -1.915 2.705 1.852) 3.797 11.113 ( -3.928 1.192 1.632) 4.418 12.721 ( 28.959 1.257 29.885) 41.634 12.783 ( 29.869 -1.093 28.694) 41.433 13.181 ( -18.633 1.415 18.771) 26.486 13.247 ( -18.035 -1.114 16.785) 24.662 15.717 ( 16.828 1.666 0.761) 16.927 16.043 ( -17.202 -11.422 0.366) 20.652 16.771 ( 16.058 9.593 -11.022) 21.711 17.084 ( -16.732 -1.207 -9.407) 19.233 21.100 ( 8.311 -3.916 2.400) 9.495 21.281 ( -10.571 -9.177 5.606) 15.079 22.042 ( 9.941 14.312 -6.797) 18.704 22.239 ( -10.671 6.842 -7.953) 14.964 22.509 ( 3.029 -2.739 -2.437) 4.756 22.527 ( 2.613 -1.812 -2.742) 4.199 22.582 ( -3.192 -1.009 -4.297) 5.447 22.626 ( -5.533 -2.801 -5.754) 8.460 ======================= Grid point 153 (56/75) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.000 -15.012 7.966) 16.995 1.309 ( 0.000 15.012 7.966) 16.995 1.662 ( 0.000 -5.593 -3.911) 6.825 1.662 ( 0.000 5.593 -3.911) 6.825 2.063 ( 0.000 -11.524 13.022) 17.389 2.063 ( 0.000 11.524 13.022) 17.389 2.350 ( 0.000 -4.182 12.140) 12.840 2.350 ( 0.000 4.182 12.140) 12.840 2.804 ( 0.000 -9.524 4.763) 10.648 2.804 ( 0.000 9.524 4.763) 10.648 3.010 ( 0.000 -3.308 -4.036) 5.218 3.010 ( 0.000 3.308 -4.036) 5.218 3.479 ( 0.000 -0.786 2.921) 3.025 3.479 ( 0.000 0.786 2.921) 3.025 3.941 ( 0.000 -9.100 -10.124) 13.612 3.941 ( 0.000 9.100 -10.124) 13.612 4.007 ( 0.000 -2.729 1.162) 2.966 4.007 ( 0.000 2.729 1.162) 2.966 4.261 ( 0.000 -2.757 1.420) 3.101 4.261 ( 0.000 2.757 1.420) 3.101 4.288 ( 0.000 -6.812 -0.232) 6.816 4.288 ( 0.000 6.812 -0.232) 6.816 4.481 ( 0.000 -3.636 1.699) 4.013 4.481 ( 0.000 3.636 1.699) 4.013 4.822 ( 0.000 -10.183 4.814) 11.264 4.822 ( 0.000 10.183 4.814) 11.264 5.128 ( 0.000 -5.656 -0.180) 5.659 5.128 ( 0.000 5.656 -0.180) 5.659 5.218 ( 0.000 -6.345 2.907) 6.979 5.218 ( 0.000 6.345 2.907) 6.979 5.438 ( 0.000 -7.547 -8.446) 11.327 5.438 ( 0.000 7.547 -8.446) 11.327 5.599 ( 0.000 -1.182 -5.175) 5.309 5.599 ( 0.000 1.182 -5.175) 5.309 5.759 ( 0.000 -4.653 -4.899) 6.757 5.759 ( 0.000 4.653 -4.899) 6.757 6.265 ( 0.000 -0.450 -5.033) 5.053 6.265 ( 0.000 0.450 -5.033) 5.053 6.305 ( 0.000 -2.059 -3.308) 3.897 6.305 ( 0.000 2.059 -3.308) 3.897 6.480 ( 0.000 -1.451 3.559) 3.843 6.480 ( 0.000 1.451 3.559) 3.843 6.482 ( 0.000 -3.295 3.643) 4.912 6.482 ( 0.000 3.295 3.643) 4.912 7.084 ( 0.000 -6.435 6.353) 9.043 7.084 ( 0.000 6.435 6.353) 9.043 7.370 ( 0.000 -4.295 -1.933) 4.710 7.370 ( 0.000 4.295 -1.933) 4.710 7.518 ( 0.000 -5.039 4.082) 6.485 7.518 ( 0.000 5.039 4.082) 6.485 8.084 ( 0.000 -8.727 -4.205) 9.688 8.084 ( 0.000 8.727 -4.205) 9.688 8.229 ( 0.000 -4.702 -0.184) 4.706 8.229 ( 0.000 4.702 -0.184) 4.706 8.492 ( 0.000 -2.174 -3.692) 4.285 8.492 ( 0.000 2.174 -3.692) 4.285 9.223 ( 0.000 -1.679 1.311) 2.130 9.223 ( 0.000 1.679 1.311) 2.130 9.295 ( 0.000 -0.983 13.172) 13.209 9.295 ( 0.000 0.983 13.172) 13.209 9.700 ( 0.000 -4.252 5.241) 6.749 9.700 ( 0.000 4.252 5.241) 6.749 9.964 ( 0.000 -4.832 1.204) 4.980 9.964 ( 0.000 4.832 1.204) 4.980 10.403 ( 0.000 -2.779 2.718) 3.888 10.403 ( 0.000 2.779 2.718) 3.888 10.909 ( 0.000 -1.091 -11.390) 11.443 10.909 ( 0.000 1.091 -11.390) 11.443 11.028 ( 0.000 -1.204 33.843) 33.864 11.028 ( 0.000 1.204 33.843) 33.864 12.929 ( 0.000 -0.173 -25.608) 25.608 12.929 ( 0.000 0.173 -25.608) 25.608 16.238 ( 0.000 -62.155 22.141) 65.981 16.238 ( 0.000 62.155 22.141) 65.981 16.447 ( 0.000 -28.930 5.387) 29.427 16.447 ( 0.000 28.930 5.387) 29.427 21.509 ( 0.000 -21.424 11.511) 24.321 21.509 ( 0.000 21.424 11.511) 24.321 22.348 ( 0.000 -5.697 0.364) 5.708 22.348 ( 0.000 5.697 0.364) 5.708 22.581 ( 0.000 -27.798 -17.626) 32.916 22.581 ( 0.000 27.798 -17.626) 32.916 22.849 ( 0.000 -0.794 -6.587) 6.635 22.849 ( 0.000 0.794 -6.587) 6.635 ======================= Grid point 155 (57/75) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 2.491 -12.203 9.438) 15.627 1.334 ( 2.491 12.203 9.438) 15.627 1.696 ( 1.896 -5.536 2.049) 6.200 1.696 ( 1.896 5.536 2.049) 6.200 1.899 ( -6.692 -7.275 3.578) 10.512 1.899 ( -6.692 7.275 3.578) 10.512 2.580 ( 9.976 -2.714 2.763) 10.701 2.580 ( 9.976 2.714 2.763) 10.701 2.737 ( 0.722 -7.336 9.121) 11.728 2.737 ( 0.722 7.336 9.121) 11.728 3.109 ( 7.339 -0.535 0.222) 7.362 3.109 ( 7.339 0.535 0.222) 7.362 3.421 ( -5.967 -0.639 5.178) 7.927 3.421 ( -5.967 0.639 5.178) 7.927 3.871 ( -10.911 -0.433 -1.336) 11.001 3.871 ( -10.911 0.433 -1.336) 11.001 3.933 ( -1.540 -8.354 -8.530) 12.038 3.933 ( -1.540 8.354 -8.530) 12.038 4.173 ( -3.322 -2.361 3.379) 5.294 4.173 ( -3.322 2.361 3.379) 5.294 4.303 ( -2.874 -4.672 -5.802) 7.984 4.303 ( -2.874 4.672 -5.802) 7.984 4.503 ( 0.173 -1.686 -0.054) 1.696 4.503 ( 0.173 1.686 -0.054) 1.696 4.835 ( -0.837 -5.700 4.340) 7.213 4.835 ( -0.837 5.700 4.340) 7.213 5.002 ( -10.287 -6.317 0.007) 12.071 5.002 ( -10.287 6.317 0.007) 12.071 5.172 ( -5.267 -0.797 -0.272) 5.334 5.172 ( -5.267 0.797 -0.272) 5.334 5.405 ( 1.736 -1.296 1.001) 2.386 5.405 ( 1.736 1.296 1.001) 2.386 5.615 ( -4.392 -4.315 -5.291) 8.118 5.615 ( -4.392 4.315 -5.291) 8.118 5.823 ( 7.359 -3.734 -3.971) 9.157 5.823 ( 7.359 3.734 -3.971) 9.157 6.215 ( -2.696 -1.671 -1.372) 3.456 6.215 ( -2.696 1.671 -1.372) 3.456 6.362 ( 4.221 -3.503 -4.305) 6.973 6.362 ( 4.221 3.503 -4.305) 6.973 6.522 ( 4.063 -4.796 2.793) 6.878 6.522 ( 4.063 4.796 2.793) 6.878 6.565 ( 7.429 -1.902 0.143) 7.670 6.565 ( 7.429 1.902 0.143) 7.670 7.077 ( -0.669 -6.220 7.935) 10.105 7.077 ( -0.669 6.220 7.935) 10.105 7.381 ( 1.314 -2.895 0.155) 3.183 7.381 ( 1.314 2.895 0.155) 3.183 7.532 ( 1.405 -3.891 1.012) 4.259 7.532 ( 1.405 3.891 1.012) 4.259 8.011 ( -5.663 -6.876 -4.430) 9.948 8.011 ( -5.663 6.876 -4.430) 9.948 8.199 ( -2.737 -4.247 -0.618) 5.090 8.199 ( -2.737 4.247 -0.618) 5.090 8.501 ( -0.737 -0.493 -4.997) 5.075 8.501 ( -0.737 0.493 -4.997) 5.075 8.994 ( -11.994 -1.061 9.705) 15.465 8.994 ( -11.994 1.061 9.705) 15.465 9.381 ( -2.191 -0.587 -0.933) 2.453 9.381 ( -2.191 0.587 -0.933) 2.453 9.847 ( 12.429 -3.282 7.139) 14.704 9.847 ( 12.429 3.282 7.139) 14.704 10.016 ( 7.265 -2.183 2.127) 7.879 10.016 ( 7.265 2.183 2.127) 7.879 10.436 ( 3.234 -1.106 4.275) 5.473 10.436 ( 3.234 1.106 4.275) 5.473 10.958 ( 4.975 -1.286 -7.565) 9.145 10.958 ( 4.975 1.286 -7.565) 9.145 11.173 ( 14.808 -1.399 32.491) 35.734 11.173 ( 14.808 1.399 32.491) 35.734 13.065 ( 12.770 -0.373 -24.335) 27.484 13.065 ( 12.770 0.373 -24.335) 27.484 16.099 ( -9.677 -48.691 15.559) 52.024 16.099 ( -9.677 48.691 15.559) 52.024 16.594 ( 10.549 -37.647 8.641) 40.040 16.594 ( 10.549 37.647 8.641) 40.040 21.462 ( -4.818 -21.177 9.470) 23.693 21.462 ( -4.818 21.177 9.470) 23.693 22.347 ( -0.221 -7.504 -2.037) 7.779 22.347 ( -0.221 7.504 -2.037) 7.779 22.545 ( -3.236 -23.796 -12.785) 27.206 22.545 ( -3.236 23.796 -12.785) 27.206 22.819 ( -3.036 -0.675 -6.465) 7.174 22.819 ( -3.036 0.675 -6.465) 7.174 ======================= Grid point 157 (58/75) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 2.647 -6.439 12.994) 14.742 1.386 ( 2.647 6.439 12.994) 14.742 1.699 ( 2.002 -6.210 7.872) 10.225 1.699 ( 2.002 6.210 7.872) 10.225 1.956 ( 9.678 -0.359 -11.303) 14.885 1.956 ( 9.678 0.359 -11.303) 14.885 2.490 ( -9.486 -5.498 -7.433) 13.247 2.490 ( -9.486 5.498 -7.433) 13.247 2.955 ( 6.387 -4.807 9.601) 12.493 2.955 ( 6.387 4.807 9.601) 12.493 3.165 ( -1.043 -6.548 7.342) 9.893 3.165 ( -1.043 6.548 7.342) 9.893 3.364 ( 4.635 -3.880 8.267) 10.241 3.364 ( 4.635 3.880 8.267) 10.241 3.669 ( -9.586 -2.657 -5.699) 11.464 3.669 ( -9.586 2.657 -5.699) 11.464 3.907 ( -1.157 -6.931 -7.460) 10.248 3.907 ( -1.157 6.931 -7.460) 10.248 4.123 ( -2.556 -3.705 2.375) 5.090 4.123 ( -2.556 3.705 2.375) 5.090 4.233 ( -3.326 -0.550 -6.932) 7.708 4.233 ( -3.326 0.550 -6.932) 7.708 4.453 ( -4.851 -2.607 -1.597) 5.734 4.453 ( -4.851 2.607 -1.597) 5.734 4.720 ( -10.393 -3.318 -1.888) 11.072 4.720 ( -10.393 3.318 -1.888) 11.072 4.817 ( -7.689 -4.460 -1.367) 8.994 4.817 ( -7.689 4.460 -1.367) 8.994 5.084 ( -4.879 -5.061 4.116) 8.146 5.084 ( -4.879 5.061 4.116) 8.146 5.405 ( -7.001 -3.596 -3.496) 8.612 5.405 ( -7.001 3.596 -3.496) 8.612 5.579 ( 6.468 -2.523 7.413) 10.156 5.579 ( 6.468 2.523 7.413) 10.156 5.945 ( 4.704 -3.147 0.084) 5.660 5.945 ( 4.704 3.147 0.084) 5.660 6.183 ( -0.867 -1.011 1.998) 2.402 6.183 ( -0.867 1.011 1.998) 2.402 6.445 ( 3.981 -2.830 -1.511) 5.113 6.445 ( 3.981 2.830 -1.511) 5.113 6.608 ( 4.601 -1.673 1.895) 5.250 6.608 ( 4.601 1.673 1.895) 5.250 6.718 ( 7.339 -4.181 -6.043) 10.386 6.718 ( 7.339 4.181 -6.043) 10.386 7.055 ( -1.211 -5.096 10.117) 11.393 7.055 ( -1.211 5.096 10.117) 11.393 7.437 ( 4.755 -1.138 0.926) 4.976 7.437 ( 4.755 1.138 0.926) 4.976 7.576 ( 3.438 -1.625 -2.199) 4.393 7.576 ( 3.438 1.625 -2.199) 4.393 7.918 ( -3.746 -6.020 -8.173) 10.820 7.918 ( -3.746 6.020 -8.173) 10.820 8.137 ( -3.510 -1.475 -0.335) 3.822 8.137 ( -3.510 1.475 -0.335) 3.822 8.446 ( -4.268 -1.742 -4.460) 6.414 8.446 ( -4.268 1.742 -4.460) 6.414 8.808 ( -8.246 -0.938 6.692) 10.661 8.808 ( -8.246 0.938 6.692) 10.661 9.249 ( -10.126 -1.068 -5.452) 11.550 9.249 ( -10.126 1.068 -5.452) 11.550 10.043 ( 8.716 -1.311 6.321) 10.846 10.043 ( 8.716 1.311 6.321) 10.846 10.239 ( 12.418 -2.083 0.622) 12.607 10.239 ( 12.418 2.083 0.622) 12.607 10.528 ( 7.228 -1.345 8.796) 11.464 10.528 ( 7.228 1.345 8.796) 11.464 11.065 ( 5.337 -1.610 -5.413) 7.771 11.065 ( 5.337 1.610 -5.413) 7.771 11.573 ( 26.883 -1.121 35.202) 44.307 11.573 ( 26.883 1.121 35.202) 44.307 13.319 ( 11.402 -0.867 -16.164) 19.800 13.319 ( 11.402 0.867 -16.164) 19.800 15.936 ( -7.022 -37.852 8.515) 39.428 15.936 ( -7.022 37.852 8.515) 39.428 16.781 ( 8.777 -34.885 6.075) 36.482 16.781 ( 8.777 34.885 6.075) 36.482 21.340 ( -7.568 -19.550 4.966) 21.543 21.340 ( -7.568 19.550 4.966) 21.543 22.333 ( -1.328 -13.975 -6.849) 15.620 22.333 ( -1.328 13.975 -6.849) 15.620 22.489 ( -2.064 -11.757 -3.526) 12.447 22.489 ( -2.064 11.757 -3.526) 12.447 22.742 ( -4.913 -0.371 -6.059) 7.809 22.742 ( -4.913 0.371 -6.059) 7.809 ======================= Grid point 159 (59/75) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 3.969 -2.080 10.367) 11.294 1.446 ( 3.969 2.080 10.367) 11.294 1.820 ( 9.909 -1.973 3.833) 10.806 1.820 ( 9.909 1.973 3.833) 10.806 2.128 ( 2.840 -1.482 -9.183) 9.726 2.128 ( 2.840 1.482 -9.183) 9.726 2.369 ( 2.075 -7.749 -10.741) 13.406 2.369 ( 2.075 7.749 -10.741) 13.406 2.768 ( -16.003 -6.669 1.238) 17.381 2.768 ( -16.003 6.669 1.238) 17.381 3.249 ( -1.745 -3.837 1.696) 4.544 3.249 ( -1.745 3.837 1.696) 4.544 3.464 ( 3.844 -2.163 6.466) 7.827 3.464 ( 3.844 2.163 6.466) 7.827 3.561 ( 1.263 -2.951 3.262) 4.577 3.561 ( 1.263 2.951 3.262) 4.577 3.895 ( -0.184 -5.441 -6.365) 8.376 3.895 ( -0.184 5.441 -6.365) 8.376 4.072 ( -2.299 -4.736 -0.529) 5.291 4.072 ( -2.299 4.736 -0.529) 5.291 4.202 ( 0.059 -3.848 -4.276) 5.753 4.202 ( 0.059 3.848 -4.276) 5.753 4.359 ( -4.159 -1.911 -1.959) 4.978 4.359 ( -4.159 1.911 -1.959) 4.978 4.517 ( -9.800 -2.620 -2.829) 10.532 4.517 ( -9.800 2.620 -2.829) 10.532 4.727 ( -1.667 -5.439 -0.673) 5.728 4.727 ( -1.667 5.439 -0.673) 5.728 4.972 ( -6.583 -4.981 2.431) 8.605 4.972 ( -6.583 4.981 2.431) 8.605 5.233 ( -9.379 -4.535 -3.493) 10.988 5.233 ( -9.379 4.535 -3.493) 10.988 5.754 ( 9.674 -4.427 12.562) 16.462 5.754 ( 9.674 4.427 12.562) 16.462 6.005 ( 2.036 -1.231 3.476) 4.213 6.005 ( 2.036 1.231 3.476) 4.213 6.172 ( -0.487 -1.971 5.156) 5.542 6.172 ( -0.487 1.971 5.156) 5.542 6.500 ( 1.669 -3.409 2.106) 4.340 6.500 ( 1.669 3.409 2.106) 4.340 6.676 ( 1.876 -1.701 3.007) 3.931 6.676 ( 1.876 1.701 3.007) 3.931 6.787 ( -0.030 -2.191 -2.085) 3.025 6.787 ( -0.030 2.191 -2.085) 3.025 7.088 ( 5.485 -0.706 0.089) 5.531 7.088 ( 5.485 0.706 0.089) 5.531 7.492 ( -1.439 -2.282 -0.197) 2.705 7.492 ( -1.439 2.282 -0.197) 2.705 7.682 ( 8.209 -0.923 -3.701) 9.052 7.682 ( 8.209 0.923 -3.701) 9.052 7.899 ( 2.637 -5.237 -10.408) 11.946 7.899 ( 2.637 5.237 -10.408) 11.946 8.074 ( -3.133 -1.451 0.480) 3.486 8.074 ( -3.133 1.451 0.480) 3.486 8.361 ( -5.019 -2.328 -4.561) 7.170 8.361 ( -5.019 2.328 -4.561) 7.170 8.674 ( -5.242 -1.193 2.131) 5.783 8.674 ( -5.242 1.193 2.131) 5.783 9.038 ( -11.406 -2.014 -6.522) 13.292 9.038 ( -11.406 2.014 -6.522) 13.292 10.188 ( 6.414 -0.873 5.264) 8.343 10.188 ( 6.414 0.873 5.264) 8.343 10.392 ( 4.154 -1.312 1.177) 4.513 10.392 ( 4.154 1.312 1.177) 4.513 10.722 ( 12.036 -0.999 9.072) 15.105 10.722 ( 12.036 0.999 9.072) 15.105 11.134 ( 1.503 -1.456 -2.249) 3.072 11.134 ( 1.503 1.456 -2.249) 3.072 12.151 ( 32.750 -1.154 34.878) 47.858 12.151 ( 32.750 1.154 34.878) 47.858 13.416 ( -2.369 -1.214 0.556) 2.719 13.416 ( -2.369 1.214 0.556) 2.719 15.844 ( -2.773 -24.620 0.064) 24.776 15.844 ( -2.773 24.620 0.064) 24.776 16.915 ( 5.226 -24.359 1.618) 24.966 16.915 ( 5.226 24.359 1.618) 24.966 21.201 ( -6.494 -14.443 1.097) 15.873 21.201 ( -6.494 14.443 1.097) 15.873 22.306 ( -1.190 -15.030 -7.045) 16.642 22.306 ( -1.190 15.030 -7.045) 16.642 22.469 ( -0.431 -2.380 -0.967) 2.605 22.469 ( -0.431 2.380 -0.967) 2.605 22.647 ( -4.677 -0.580 -5.337) 7.120 22.647 ( -4.677 0.580 -5.337) 7.120 ======================= Grid point 161 (60/75) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 2.888 -1.158 7.474) 8.096 1.520 ( 2.888 1.158 7.474) 8.096 2.003 ( 3.181 -4.250 -5.267) 7.478 2.003 ( 3.181 4.250 -5.267) 7.478 2.106 ( 6.067 -5.999 -1.378) 8.643 2.106 ( 6.067 5.999 -1.378) 8.643 2.376 ( -12.708 -3.678 4.961) 14.129 2.376 ( -12.708 3.678 4.961) 14.129 2.687 ( 14.391 -5.067 -16.890) 22.761 2.687 ( 14.391 5.067 -16.890) 22.761 3.027 ( -16.996 -4.760 -14.032) 22.548 3.027 ( -16.996 4.760 -14.032) 22.548 3.559 ( 4.238 -0.073 11.426) 12.187 3.559 ( 4.238 0.073 11.426) 12.187 3.602 ( 0.595 -1.628 10.927) 11.063 3.602 ( 0.595 1.628 10.927) 11.063 3.895 ( 0.123 -2.243 -6.124) 6.523 3.895 ( 0.123 2.243 -6.124) 6.523 4.051 ( -0.199 -2.389 -2.881) 3.748 4.051 ( -0.199 2.389 -2.881) 3.748 4.227 ( 2.337 -4.654 -3.024) 6.022 4.227 ( 2.337 4.654 -3.024) 6.022 4.291 ( -3.910 -1.769 -3.366) 5.454 4.291 ( -3.910 1.769 -3.366) 5.454 4.388 ( -2.903 -1.879 0.248) 3.467 4.388 ( -2.903 1.879 0.248) 3.467 4.752 ( 3.702 -4.885 0.713) 6.171 4.752 ( 3.702 4.885 0.713) 6.171 4.854 ( -5.486 -4.591 -0.087) 7.154 4.854 ( -5.486 4.591 -0.087) 7.154 5.085 ( -5.047 -2.017 -1.762) 5.714 5.085 ( -5.047 2.017 -1.762) 5.714 5.901 ( 4.778 -3.669 8.612) 10.510 5.901 ( 4.778 3.669 8.612) 10.510 6.030 ( 0.597 -2.710 9.713) 10.102 6.030 ( 0.597 2.710 9.713) 10.102 6.162 ( -0.391 -2.372 8.571) 8.902 6.162 ( -0.391 2.372 8.571) 8.902 6.508 ( -0.417 -3.274 4.351) 5.461 6.508 ( -0.417 3.274 4.351) 5.461 6.674 ( -0.928 -0.520 2.961) 3.146 6.674 ( -0.928 0.520 2.961) 3.146 6.785 ( 0.303 -2.184 0.515) 2.265 6.785 ( 0.303 2.184 0.515) 2.265 7.220 ( 7.012 -2.925 -5.993) 9.676 7.220 ( 7.012 2.925 -5.993) 9.676 7.400 ( -6.374 -3.300 -4.126) 8.279 7.400 ( -6.374 3.300 -4.126) 8.279 7.847 ( 7.962 -1.428 -3.369) 8.762 7.847 ( 7.962 1.428 -3.369) 8.762 7.956 ( -1.730 -1.506 -6.399) 6.797 7.956 ( -1.730 1.506 -6.399) 6.797 8.064 ( 5.825 -0.882 -1.908) 6.193 8.064 ( 5.825 0.882 -1.908) 6.193 8.230 ( -8.857 -1.744 -4.375) 10.031 8.230 ( -8.857 1.744 -4.375) 10.031 8.641 ( 1.378 -1.401 -3.530) 4.040 8.641 ( 1.378 1.401 -3.530) 4.040 8.847 ( -7.483 -1.849 -4.893) 9.130 8.847 ( -7.483 1.849 -4.893) 9.130 10.275 ( 2.455 -0.373 4.302) 4.967 10.275 ( 2.455 0.373 4.302) 4.967 10.433 ( 0.792 -0.290 3.918) 4.008 10.433 ( 0.792 0.290 3.918) 4.008 10.923 ( 7.690 -0.322 4.960) 9.156 10.923 ( 7.690 0.322 4.960) 9.156 11.120 ( -2.347 -0.785 1.973) 3.165 11.120 ( -2.347 0.785 1.973) 3.165 12.753 ( 29.461 -1.667 29.284) 41.573 12.753 ( 29.461 1.667 29.284) 41.573 13.216 ( -18.353 -1.772 17.760) 25.601 13.216 ( -18.353 1.772 17.760) 25.601 15.819 ( -0.332 -8.493 -5.571) 10.163 15.819 ( -0.332 8.493 -5.571) 10.163 16.979 ( 1.640 -8.736 -1.723) 9.054 16.979 ( 1.640 8.736 -1.723) 9.054 21.113 ( -2.469 -5.371 -0.804) 5.966 21.113 ( -2.469 5.371 -0.804) 5.966 22.293 ( -0.255 -6.490 -5.573) 8.558 22.293 ( -0.255 6.490 -5.573) 8.558 22.465 ( -0.080 -2.043 -2.534) 3.256 22.465 ( -0.080 2.043 -2.534) 3.256 22.580 ( -1.992 -1.068 -4.301) 4.858 22.580 ( -1.992 1.068 -4.301) 4.858 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.000 0.000 9.756) 9.756 1.451 ( 0.000 0.000 -4.614) 4.614 1.662 ( 0.000 0.000 -1.840) 1.840 1.729 ( 0.000 0.000 -8.163) 8.163 2.065 ( 0.000 0.000 14.646) 14.646 2.249 ( 0.000 0.000 -2.000) 2.000 2.560 ( 0.000 0.000 15.243) 15.243 2.646 ( 0.000 0.000 8.138) 8.138 2.663 ( 0.000 0.000 7.239) 7.239 2.844 ( 0.000 0.000 -9.665) 9.665 3.154 ( 0.000 0.000 -3.630) 3.630 3.249 ( 0.000 0.000 -9.798) 9.798 3.382 ( 0.000 0.000 3.802) 3.802 3.386 ( 0.000 0.000 -0.767) 0.767 3.766 ( 0.000 0.000 13.155) 13.155 3.780 ( 0.000 0.000 2.380) 2.380 3.933 ( 0.000 0.000 -10.013) 10.013 4.023 ( 0.000 0.000 -13.665) 13.665 4.200 ( 0.000 0.000 9.885) 9.885 4.227 ( 0.000 0.000 1.074) 1.074 4.256 ( 0.000 0.000 -1.275) 1.275 4.396 ( 0.000 0.000 -9.593) 9.593 4.452 ( 0.000 0.000 11.494) 11.494 4.659 ( 0.000 0.000 -8.692) 8.692 4.709 ( 0.000 0.000 13.174) 13.174 4.964 ( 0.000 0.000 -12.863) 12.863 5.020 ( 0.000 0.000 6.829) 6.829 5.076 ( 0.000 0.000 0.575) 0.575 5.331 ( 0.000 0.000 12.597) 12.597 5.416 ( 0.000 0.000 0.209) 0.209 5.436 ( 0.000 0.000 -0.962) 0.962 5.440 ( 0.000 0.000 -3.634) 3.634 5.463 ( 0.000 0.000 -6.568) 6.568 5.558 ( 0.000 0.000 -9.669) 9.669 5.636 ( 0.000 0.000 3.661) 3.661 5.748 ( 0.000 0.000 -6.607) 6.607 6.201 ( 0.000 0.000 -0.264) 0.264 6.215 ( 0.000 0.000 -0.902) 0.902 6.264 ( 0.000 0.000 2.731) 2.731 6.300 ( 0.000 0.000 -0.949) 0.949 6.381 ( 0.000 0.000 0.847) 0.847 6.418 ( 0.000 0.000 -2.956) 2.956 6.610 ( 0.000 0.000 1.893) 1.893 6.623 ( 0.000 0.000 0.729) 0.729 7.074 ( 0.000 0.000 10.613) 10.613 7.220 ( 0.000 0.000 -4.491) 4.491 7.392 ( 0.000 0.000 5.947) 5.947 7.394 ( 0.000 0.000 4.594) 4.594 7.482 ( 0.000 0.000 -3.624) 3.624 7.553 ( 0.000 0.000 -11.694) 11.694 7.813 ( 0.000 0.000 12.274) 12.274 8.095 ( 0.000 0.000 -16.390) 16.390 8.253 ( 0.000 0.000 6.176) 6.176 8.356 ( 0.000 0.000 -4.699) 4.699 8.378 ( 0.000 0.000 4.532) 4.532 8.466 ( 0.000 0.000 -4.551) 4.551 9.236 ( 0.000 0.000 4.972) 4.972 9.326 ( 0.000 0.000 -3.303) 3.303 9.350 ( 0.000 0.000 6.227) 6.227 9.437 ( 0.000 0.000 -0.841) 0.841 9.749 ( 0.000 0.000 8.834) 8.834 9.845 ( 0.000 0.000 -1.497) 1.497 9.920 ( 0.000 0.000 7.614) 7.614 10.049 ( 0.000 0.000 -4.574) 4.574 10.450 ( 0.000 0.000 9.988) 9.988 10.533 ( 0.000 0.000 4.888) 4.888 10.674 ( 0.000 0.000 -9.831) 9.831 10.682 ( 0.000 0.000 -13.482) 13.482 11.696 ( 0.000 0.000 37.254) 37.254 11.726 ( 0.000 0.000 35.968) 35.968 12.367 ( 0.000 0.000 -32.754) 32.754 12.380 ( 0.000 0.000 -32.256) 32.256 15.329 ( 0.000 0.000 16.627) 16.627 15.584 ( 0.000 0.000 -10.864) 10.864 17.843 ( 0.000 0.000 28.240) 28.240 18.386 ( 0.000 0.000 -28.730) 28.730 20.715 ( 0.000 0.000 2.954) 2.954 20.773 ( 0.000 0.000 -3.111) 3.111 22.363 ( 0.000 0.000 16.700) 16.700 22.484 ( 0.000 0.000 4.659) 4.659 22.571 ( 0.000 0.000 6.615) 6.615 22.695 ( 0.000 0.000 -6.531) 6.531 22.746 ( 0.000 0.000 -4.408) 4.408 22.856 ( 0.000 0.000 -16.682) 16.682 ======================= Grid point 181 (62/75) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 10.733 0.000 9.874) 14.584 1.565 ( 11.025 0.000 -4.767) 12.012 1.646 ( -0.946 0.000 -3.806) 3.922 1.675 ( -4.508 0.000 -5.713) 7.277 1.956 ( -9.230 0.000 17.576) 19.852 2.220 ( -3.640 0.000 1.626) 3.987 2.357 ( -15.184 0.000 1.405) 15.249 2.567 ( -2.801 0.000 -7.415) 7.927 2.918 ( 11.260 0.000 12.552) 16.863 2.937 ( 10.403 0.000 6.500) 12.267 3.189 ( 4.863 0.000 -5.994) 7.718 3.258 ( 1.577 0.000 -10.326) 10.446 3.378 ( -2.614 0.000 3.366) 4.262 3.424 ( 3.687 0.000 2.667) 4.551 3.687 ( -6.748 0.000 8.723) 11.028 3.703 ( -8.246 0.000 0.821) 8.287 3.942 ( -0.656 0.000 -2.711) 2.789 4.033 ( 0.759 0.000 -11.479) 11.504 4.098 ( -7.345 0.000 6.500) 9.808 4.227 ( -0.773 0.000 -0.434) 0.886 4.252 ( -1.812 0.000 6.210) 6.469 4.309 ( -8.748 0.000 -8.248) 12.023 4.352 ( -4.183 0.000 1.402) 4.412 4.501 ( -9.196 0.000 -8.737) 12.685 4.817 ( -6.253 0.000 9.429) 11.314 4.878 ( -13.314 0.000 -0.082) 13.314 4.920 ( 1.744 0.000 4.787) 5.094 5.074 ( 3.194 0.000 -9.022) 9.570 5.267 ( -11.045 0.000 -1.232) 11.114 5.280 ( -10.867 0.000 -2.574) 11.168 5.406 ( 0.642 0.000 2.743) 2.817 5.422 ( 1.104 0.000 6.474) 6.567 5.560 ( 7.798 0.000 0.140) 7.799 5.662 ( -5.215 0.000 -7.133) 8.836 5.668 ( 7.230 0.000 6.731) 9.878 5.866 ( 17.015 0.000 -11.308) 20.430 6.196 ( -0.288 0.000 -0.330) 0.438 6.206 ( -0.389 0.000 -0.581) 0.699 6.318 ( 4.679 0.000 2.652) 5.379 6.354 ( 4.405 0.000 -0.946) 4.505 6.396 ( 2.174 0.000 1.696) 2.758 6.444 ( 2.970 0.000 -3.034) 4.246 6.650 ( 2.522 0.000 1.142) 2.769 6.655 ( 4.285 0.000 0.045) 4.286 7.114 ( 3.328 0.000 12.486) 12.921 7.281 ( 6.048 0.000 -3.869) 7.180 7.396 ( 1.028 0.000 2.576) 2.774 7.401 ( 0.948 0.000 5.805) 5.882 7.486 ( 0.233 0.000 -3.228) 3.236 7.519 ( -3.166 0.000 -10.569) 11.033 7.746 ( -6.588 0.000 10.512) 12.406 8.002 ( -8.000 0.000 -14.261) 16.352 8.245 ( -0.565 0.000 6.705) 6.728 8.307 ( -5.148 0.000 3.485) 6.217 8.384 ( 0.194 0.000 -6.188) 6.191 8.416 ( -4.921 0.000 -5.481) 7.366 9.131 ( -9.105 0.000 8.164) 12.229 9.194 ( -11.452 0.000 7.711) 13.806 9.270 ( -7.204 0.000 -5.717) 9.197 9.315 ( -10.884 0.000 -3.874) 11.553 9.914 ( 13.376 0.000 4.828) 14.220 9.951 ( 9.165 0.000 0.505) 9.179 10.079 ( 13.602 0.000 3.835) 14.132 10.113 ( 6.405 0.000 0.291) 6.411 10.540 ( 2.264 0.000 5.492) 5.940 10.542 ( 8.657 0.000 8.583) 12.191 10.728 ( 5.322 0.000 -8.832) 10.311 10.786 ( 8.630 0.000 -11.262) 14.189 11.851 ( 15.906 0.000 37.614) 40.839 11.867 ( 14.755 0.000 35.906) 38.819 12.518 ( 14.117 0.000 -31.673) 34.676 12.527 ( 15.912 0.000 -32.618) 36.292 15.351 ( 2.473 0.000 17.654) 17.826 15.631 ( 4.831 0.000 -12.225) 13.145 17.720 ( -12.626 0.000 26.062) 28.959 18.215 ( -17.215 0.000 -25.772) 30.993 20.774 ( 5.964 0.000 4.108) 7.242 20.859 ( 8.485 0.000 -4.841) 9.769 22.294 ( -6.808 0.000 16.486) 17.836 22.464 ( -2.269 0.000 2.214) 3.171 22.575 ( -0.037 0.000 5.634) 5.634 22.643 ( -5.179 0.000 -6.151) 8.041 22.721 ( -2.525 0.000 -4.067) 4.787 22.828 ( -2.902 0.000 -14.394) 14.684 ======================= Grid point 182 (63/75) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -2.023 0.000 -3.609) 4.138 1.620 ( 5.137 0.000 -3.732) 6.350 1.723 ( -4.210 0.000 15.151) 15.725 1.725 ( 13.628 0.000 5.443) 14.675 1.907 ( 13.463 0.000 -1.626) 13.561 2.059 ( -12.351 0.000 17.526) 21.441 2.142 ( -7.354 0.000 -17.174) 18.683 2.419 ( -11.260 0.000 -18.279) 21.469 3.071 ( 5.319 0.000 13.340) 14.361 3.151 ( -17.243 0.000 10.516) 20.197 3.200 ( 13.528 0.000 8.082) 15.758 3.323 ( 4.037 0.000 -4.304) 5.901 3.342 ( 4.258 0.000 -5.598) 7.034 3.423 ( -9.538 0.000 -11.155) 14.676 3.557 ( 2.151 0.000 10.304) 10.526 3.613 ( -0.019 0.000 3.715) 3.715 3.878 ( -5.243 0.000 8.007) 9.571 4.013 ( -2.453 0.000 -3.151) 3.993 4.049 ( 1.210 0.000 -9.465) 9.542 4.082 ( -10.859 0.000 -9.150) 14.200 4.184 ( -4.769 0.000 9.436) 10.573 4.239 ( -0.892 0.000 1.993) 2.183 4.306 ( -1.862 0.000 -4.291) 4.678 4.367 ( -5.517 0.000 -8.939) 10.505 4.597 ( -10.158 0.000 3.221) 10.656 4.659 ( -9.072 0.000 -3.446) 9.704 4.946 ( -3.789 0.000 4.005) 5.514 5.019 ( -7.906 0.000 -0.072) 7.907 5.048 ( -11.004 0.000 -0.494) 11.015 5.061 ( -10.425 0.000 -5.400) 11.740 5.344 ( -8.000 0.000 5.651) 9.795 5.440 ( -4.921 0.000 -2.416) 5.482 5.596 ( 6.154 0.000 5.399) 8.187 5.733 ( 10.891 0.000 -6.440) 12.653 5.883 ( 11.732 0.000 14.383) 18.561 6.156 ( 9.725 0.000 -12.996) 16.232 6.200 ( 2.717 0.000 0.930) 2.872 6.215 ( 1.317 0.000 -0.241) 1.339 6.413 ( 4.623 0.000 3.683) 5.911 6.440 ( 4.612 0.000 0.090) 4.613 6.475 ( 6.473 0.000 -0.008) 6.473 6.512 ( 3.259 0.000 -1.937) 3.791 6.710 ( 3.852 0.000 2.137) 4.405 6.758 ( 6.422 0.000 -3.854) 7.490 7.145 ( -0.996 0.000 14.259) 14.293 7.372 ( -4.786 0.000 3.952) 6.207 7.429 ( 7.367 0.000 -8.363) 11.145 7.465 ( 6.176 0.000 -0.857) 6.235 7.499 ( 1.822 0.000 -1.391) 2.292 7.507 ( 4.708 0.000 -1.964) 5.101 7.592 ( -8.629 0.000 8.300) 11.973 7.849 ( -7.240 0.000 -15.268) 16.898 8.194 ( -6.151 0.000 4.519) 7.632 8.231 ( -1.387 0.000 5.537) 5.708 8.306 ( -5.836 0.000 -5.233) 7.839 8.366 ( -2.054 0.000 -7.261) 7.546 8.936 ( -11.011 0.000 8.270) 13.771 8.958 ( -12.873 0.000 6.516) 14.428 9.077 ( -13.430 0.000 -5.119) 14.373 9.095 ( -10.609 0.000 -7.701) 13.109 10.141 ( 10.123 0.000 2.501) 10.427 10.164 ( 11.970 0.000 0.579) 11.984 10.259 ( 8.092 0.000 4.378) 9.200 10.322 ( 10.239 0.000 -1.855) 10.406 10.642 ( 8.567 0.000 9.387) 12.708 10.733 ( 10.501 0.000 7.928) 13.158 10.854 ( 7.304 0.000 -6.742) 9.940 10.951 ( 8.019 0.000 -8.897) 11.978 12.262 ( 26.015 0.000 36.736) 45.015 12.263 ( 25.989 0.000 34.584) 43.260 12.870 ( 21.198 0.000 -27.822) 34.977 12.901 ( 21.447 0.000 -29.127) 36.171 15.428 ( 5.917 0.000 19.541) 20.417 15.762 ( 8.870 0.000 -15.681) 18.016 17.387 ( -21.876 0.000 21.011) 30.332 17.782 ( -27.151 0.000 -20.484) 34.011 20.929 ( 10.071 0.000 6.685) 12.088 21.068 ( 13.008 0.000 -7.948) 15.244 22.125 ( -10.717 0.000 16.014) 19.269 22.379 ( -7.705 0.000 -8.026) 11.125 22.536 ( -4.587 0.000 0.369) 4.602 22.561 ( -1.339 0.000 2.993) 3.279 22.658 ( -3.781 0.000 -3.055) 4.861 22.752 ( -4.871 0.000 -10.336) 11.426 ======================= Grid point 183 (64/75) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 4.671 0.000 2.453) 5.276 1.649 ( 0.198 0.000 10.775) 10.777 1.744 ( 7.093 0.000 -8.365) 10.968 1.870 ( -3.187 0.000 0.820) 3.291 1.908 ( -3.339 0.000 -1.976) 3.880 2.088 ( -7.372 0.000 -9.081) 11.696 2.134 ( 12.793 0.000 4.593) 13.592 2.337 ( 13.002 0.000 -13.490) 18.736 2.731 ( -23.385 0.000 14.721) 27.632 3.020 ( -22.066 0.000 -12.262) 25.244 3.083 ( -5.779 0.000 10.264) 11.778 3.305 ( -4.455 0.000 -8.972) 10.017 3.487 ( 6.328 0.000 3.944) 7.457 3.522 ( 11.760 0.000 1.761) 11.891 3.651 ( 3.749 0.000 6.322) 7.351 3.666 ( 5.861 0.000 5.641) 8.135 3.770 ( -4.950 0.000 6.710) 8.338 3.914 ( -5.251 0.000 -8.594) 10.071 3.984 ( -1.432 0.000 1.551) 2.111 4.091 ( 3.137 0.000 -8.735) 9.281 4.102 ( -2.530 0.000 5.946) 6.462 4.215 ( -2.216 0.000 -2.590) 3.409 4.262 ( -2.753 0.000 -2.927) 4.018 4.278 ( -3.747 0.000 -7.387) 8.283 4.484 ( -2.017 0.000 3.451) 3.997 4.547 ( -2.586 0.000 -2.483) 3.584 4.786 ( -10.479 0.000 3.224) 10.963 4.831 ( -9.864 0.000 0.118) 9.865 4.920 ( -3.082 0.000 -1.244) 3.324 4.922 ( -4.940 0.000 -2.957) 5.757 5.166 ( -10.121 0.000 3.889) 10.843 5.259 ( -11.132 0.000 -5.205) 12.289 5.809 ( 12.541 0.000 9.081) 15.483 5.930 ( 9.202 0.000 -2.812) 9.622 6.065 ( 6.876 0.000 10.862) 12.855 6.185 ( -0.359 0.000 -1.677) 1.715 6.255 ( 3.153 0.000 2.157) 3.820 6.319 ( 4.205 0.000 -3.392) 5.402 6.459 ( -0.113 0.000 5.704) 5.705 6.508 ( 0.699 0.000 0.554) 0.892 6.567 ( 4.293 0.000 1.824) 4.664 6.646 ( 10.378 0.000 -7.573) 12.847 6.800 ( 5.669 0.000 3.508) 6.667 6.862 ( 2.285 0.000 -1.040) 2.511 7.112 ( 0.289 0.000 5.609) 5.616 7.245 ( -7.133 0.000 -0.873) 7.186 7.400 ( -9.061 0.000 3.429) 9.688 7.524 ( -3.351 0.000 -2.990) 4.492 7.583 ( 6.943 0.000 -1.709) 7.150 7.599 ( 8.646 0.000 -3.537) 9.341 7.674 ( 10.838 0.000 1.848) 10.995 7.797 ( 4.037 0.000 -12.237) 12.886 8.088 ( -4.929 0.000 4.733) 6.833 8.165 ( -5.258 0.000 -0.429) 5.275 8.226 ( -3.171 0.000 -0.623) 3.231 8.309 ( -4.218 0.000 -6.520) 7.766 8.732 ( -9.801 0.000 5.632) 11.304 8.733 ( -9.869 0.000 3.221) 10.381 8.829 ( -12.188 0.000 -3.501) 12.681 8.890 ( -10.640 0.000 -7.644) 13.101 10.314 ( 7.775 0.000 2.930) 8.309 10.349 ( 7.498 0.000 -0.526) 7.517 10.392 ( 5.514 0.000 4.215) 6.941 10.448 ( 3.625 0.000 -1.478) 3.915 10.836 ( 10.690 0.000 7.661) 13.152 10.914 ( 8.205 0.000 6.986) 10.776 10.981 ( 5.644 0.000 -3.926) 6.875 11.068 ( 3.980 0.000 -5.642) 6.904 12.772 ( 26.237 0.000 31.297) 40.840 12.790 ( 27.663 0.000 28.959) 40.048 13.237 ( 15.253 0.000 -16.504) 22.473 13.261 ( 14.747 0.000 -18.528) 23.680 15.596 ( 12.637 0.000 18.972) 22.795 15.966 ( 12.953 0.000 -19.298) 23.242 16.919 ( -26.864 0.000 15.836) 31.185 17.234 ( -29.716 0.000 -17.499) 34.486 21.143 ( 12.356 0.000 9.423) 15.540 21.334 ( 14.794 0.000 -10.520) 18.153 21.899 ( -12.846 0.000 15.049) 19.786 22.173 ( -13.099 0.000 -13.412) 18.747 22.490 ( -0.700 0.000 2.385) 2.485 22.532 ( -1.486 0.000 0.409) 1.541 22.587 ( -3.504 0.000 -1.972) 4.021 22.653 ( -5.347 0.000 -6.776) 8.632 ======================= Grid point 184 (65/75) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 5.993 0.000 1.145) 6.101 1.746 ( -0.317 0.000 -0.247) 0.402 1.797 ( -5.220 0.000 -6.982) 8.717 1.807 ( 4.769 0.000 -0.639) 4.811 1.912 ( 0.433 0.000 1.436) 1.500 2.084 ( 18.448 0.000 -12.526) 22.299 2.236 ( -22.260 0.000 12.192) 25.380 2.368 ( 0.272 0.000 3.790) 3.800 2.668 ( -5.486 0.000 -7.643) 9.408 2.734 ( 19.518 0.000 -9.734) 21.811 2.869 ( -14.941 0.000 9.997) 17.977 3.090 ( -16.668 0.000 -11.152) 20.055 3.604 ( 5.683 0.000 4.908) 7.509 3.657 ( 3.653 0.000 0.712) 3.722 3.691 ( -2.999 0.000 4.688) 5.565 3.706 ( -1.760 0.000 4.444) 4.780 3.777 ( 7.273 0.000 6.974) 10.076 3.907 ( -6.120 0.000 6.223) 8.728 3.935 ( 6.331 0.000 -8.420) 10.535 4.074 ( -6.848 0.000 -9.456) 11.675 4.131 ( 4.237 0.000 2.069) 4.715 4.200 ( 3.000 0.000 -5.030) 5.857 4.206 ( -3.278 0.000 0.184) 3.283 4.244 ( -1.215 0.000 -3.742) 3.935 4.501 ( 3.527 0.000 3.547) 5.001 4.558 ( 3.471 0.000 -1.472) 3.771 4.610 ( -7.737 0.000 3.679) 8.567 4.665 ( -7.496 0.000 -1.041) 7.568 4.888 ( 1.781 0.000 -0.035) 1.782 4.923 ( 3.689 0.000 -2.601) 4.514 4.987 ( -8.083 0.000 2.152) 8.365 5.055 ( -9.694 0.000 -4.149) 10.544 6.024 ( 9.584 0.000 5.777) 11.190 6.067 ( 5.186 0.000 1.455) 5.387 6.123 ( -0.468 0.000 4.061) 4.088 6.152 ( -3.796 0.000 0.917) 3.905 6.349 ( 6.417 0.000 3.837) 7.476 6.373 ( 2.253 0.000 1.261) 2.582 6.422 ( -2.902 0.000 5.243) 5.993 6.462 ( -4.754 0.000 1.422) 4.962 6.678 ( 6.686 0.000 6.029) 9.003 6.806 ( -6.284 0.000 7.599) 9.861 6.822 ( 7.486 0.000 -7.831) 10.834 6.890 ( 1.677 0.000 -0.047) 1.677 7.149 ( -1.036 0.000 0.167) 1.050 7.210 ( 8.439 0.000 -6.920) 10.914 7.232 ( -7.955 0.000 3.517) 8.698 7.384 ( -9.276 0.000 -8.542) 12.610 7.744 ( 9.191 0.000 0.257) 9.194 7.778 ( 9.180 0.000 -3.062) 9.678 7.852 ( 4.952 0.000 -0.026) 4.952 7.876 ( -1.907 0.000 -2.707) 3.311 8.050 ( 4.234 0.000 -0.151) 4.236 8.074 ( -2.196 0.000 -1.234) 2.519 8.143 ( -5.853 0.000 -0.537) 5.878 8.193 ( -7.987 0.000 -4.772) 9.304 8.604 ( -2.765 0.000 2.659) 3.837 8.632 ( -0.184 0.000 -1.726) 1.736 8.643 ( -6.645 0.000 -0.410) 6.658 8.711 ( -7.642 0.000 -6.094) 9.774 10.429 ( 4.314 0.000 2.324) 4.901 10.447 ( 2.877 0.000 0.571) 2.933 10.459 ( 1.523 0.000 2.446) 2.882 10.475 ( -0.580 0.000 0.836) 1.017 11.010 ( 7.078 0.000 3.108) 7.730 11.029 ( 3.733 0.000 4.029) 5.492 11.051 ( 1.439 0.000 -0.085) 1.441 11.093 ( -1.540 0.000 -1.507) 2.154 13.196 ( 17.182 0.000 19.673) 26.120 13.234 ( 17.481 0.000 16.411) 23.978 13.378 ( -1.209 0.000 2.059) 2.387 13.406 ( -0.336 0.000 -1.602) 1.637 15.924 ( 21.905 0.000 14.965) 26.529 16.266 ( 19.093 0.000 -20.252) 27.833 16.399 ( -27.276 0.000 13.138) 30.275 16.696 ( -26.216 0.000 -18.258) 31.948 21.389 ( 13.449 0.000 11.774) 17.874 21.620 ( 15.258 0.000 -12.324) 19.613 21.647 ( -13.645 0.000 13.632) 19.288 21.906 ( -14.837 0.000 -13.415) 20.003 22.502 ( 1.921 0.000 -0.402) 1.963 22.515 ( -0.061 0.000 -0.954) 0.956 22.534 ( -1.994 0.000 -1.437) 2.458 22.561 ( -4.177 0.000 -3.582) 5.503 ======================= Grid point 189 (66/75) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.000 2.334 9.939) 10.209 1.479 ( 0.000 2.536 -5.622) 6.167 1.625 ( 0.000 -3.232 -3.502) 4.766 1.628 ( 0.000 -8.618 -2.691) 9.028 2.142 ( 0.000 7.094 14.031) 15.723 2.319 ( 0.000 6.174 -2.652) 6.719 2.556 ( 0.000 -9.181 9.526) 13.230 2.562 ( 0.000 -1.096 8.657) 8.726 2.699 ( 0.000 5.164 6.193) 8.064 2.860 ( 0.000 1.884 -8.674) 8.876 3.060 ( 0.000 -6.341 -0.705) 6.380 3.093 ( 0.000 -10.633 -2.027) 10.824 3.461 ( 0.000 4.926 1.678) 5.204 3.531 ( 0.000 10.312 -6.597) 12.242 3.686 ( 0.000 -4.717 10.547) 11.553 3.898 ( 0.000 -5.559 -11.283) 12.578 3.911 ( 0.000 8.328 4.158) 9.308 4.054 ( 0.000 5.506 -8.922) 10.484 4.168 ( 0.000 -2.793 8.897) 9.325 4.256 ( 0.000 2.558 2.807) 3.798 4.319 ( 0.000 4.703 -3.198) 5.687 4.350 ( 0.000 -4.274 -9.276) 10.213 4.417 ( 0.000 -3.271 8.625) 9.224 4.561 ( 0.000 -5.958 -4.718) 7.600 4.796 ( 0.000 6.609 11.599) 13.350 5.017 ( 0.000 4.108 -9.598) 10.441 5.103 ( 0.000 6.494 2.920) 7.120 5.111 ( 0.000 3.730 -0.248) 3.738 5.226 ( 0.000 -9.674 9.605) 13.633 5.293 ( 0.000 -6.279 -0.507) 6.299 5.356 ( 0.000 -4.703 -1.557) 4.954 5.459 ( 0.000 -7.107 -8.764) 11.283 5.516 ( 0.000 2.527 -0.780) 2.644 5.561 ( 0.000 4.843 -4.415) 6.554 5.618 ( 0.000 -1.756 3.456) 3.876 5.723 ( 0.000 -2.302 -6.319) 6.725 6.196 ( 0.000 -0.330 -0.958) 1.014 6.205 ( 0.000 0.857 -2.049) 2.221 6.252 ( 0.000 -1.223 1.553) 1.977 6.288 ( 0.000 -1.522 -1.825) 2.376 6.447 ( 0.000 4.677 1.219) 4.833 6.463 ( 0.000 3.561 -0.602) 3.612 6.591 ( 0.000 -1.760 1.829) 2.539 6.595 ( 0.000 -2.341 1.703) 2.894 7.117 ( 0.000 3.775 8.918) 9.684 7.245 ( 0.000 2.351 -4.317) 4.916 7.309 ( 0.000 -4.354 5.317) 6.872 7.405 ( 0.000 -4.602 -4.452) 6.403 7.499 ( 0.000 6.327 6.724) 9.233 7.674 ( 0.000 8.593 -11.401) 14.277 7.765 ( 0.000 -4.425 11.531) 12.351 8.032 ( 0.000 -5.859 -15.644) 16.705 8.271 ( 0.000 1.594 6.030) 6.237 8.357 ( 0.000 -1.834 4.810) 5.147 8.374 ( 0.000 1.489 -4.755) 4.983 8.448 ( 0.000 -1.575 -4.651) 4.910 9.256 ( 0.000 1.751 5.176) 5.464 9.334 ( 0.000 -1.378 5.994) 6.150 9.347 ( 0.000 1.820 -3.089) 3.585 9.421 ( 0.000 -1.313 -1.184) 1.768 9.780 ( 0.000 2.606 8.624) 9.009 9.878 ( 0.000 2.978 -1.852) 3.507 9.896 ( 0.000 -2.151 8.050) 8.332 10.021 ( 0.000 -2.543 -4.088) 4.814 10.463 ( 0.000 1.104 9.075) 9.142 10.520 ( 0.000 -1.143 5.632) 5.747 10.671 ( 0.000 0.128 -11.235) 11.236 10.688 ( 0.000 0.043 -12.381) 12.381 11.701 ( 0.000 0.453 37.082) 37.085 11.722 ( 0.000 -0.353 36.173) 36.174 12.370 ( 0.000 0.249 -32.703) 32.704 12.379 ( 0.000 -0.105 -32.339) 32.339 15.634 ( 0.000 29.084 14.404) 32.455 15.837 ( 0.000 23.859 -7.688) 25.067 17.378 ( 0.000 -38.295 16.966) 41.885 17.652 ( 0.000 -55.747 -10.977) 56.817 21.138 ( 0.000 29.191 5.687) 29.740 21.290 ( 0.000 41.291 -10.793) 42.678 22.207 ( 0.000 -15.008 17.422) 22.995 22.449 ( 0.000 -5.534 -2.406) 6.035 22.569 ( 0.000 0.017 6.990) 6.990 22.703 ( 0.000 0.679 -6.964) 6.997 22.725 ( 0.000 -10.726 -9.962) 14.639 22.737 ( 0.000 -0.709 -5.736) 5.779 ======================= Grid point 190 (67/75) ======================= q-point: ( 0.11 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 8.724 0.485 10.170) 13.408 1.573 ( 9.231 0.741 -5.874) 10.967 1.605 ( -0.958 -5.178 -2.602) 5.873 1.634 ( 0.820 -2.179 -4.113) 4.727 2.007 ( -10.148 5.098 17.261) 20.662 2.242 ( -10.071 -0.530 10.405) 14.491 2.351 ( -10.762 1.409 -9.297) 14.292 2.557 ( -4.542 -1.784 -8.623) 9.908 2.885 ( 9.463 -0.114 11.767) 15.100 2.977 ( 13.713 1.032 6.661) 15.280 3.087 ( 6.978 -4.104 -5.591) 9.838 3.215 ( 6.785 -6.130 0.024) 9.144 3.439 ( -2.144 5.028 -1.059) 5.567 3.519 ( -1.902 7.713 -1.194) 8.033 3.650 ( -3.080 -2.822 8.167) 9.173 3.786 ( -11.392 5.413 0.475) 12.621 3.896 ( -0.421 -4.544 -8.546) 9.688 4.034 ( -9.436 -1.574 6.231) 11.417 4.091 ( 0.169 2.349 -4.286) 4.891 4.211 ( -5.110 -0.572 -3.302) 6.111 4.277 ( -4.722 -1.156 1.873) 5.209 4.291 ( -4.070 0.354 2.583) 4.834 4.374 ( -2.005 1.853 -3.436) 4.388 4.484 ( -5.810 -1.711 -6.341) 8.769 4.841 ( -9.964 -0.556 0.209) 9.982 4.874 ( -5.787 5.575 4.576) 9.247 4.961 ( -5.068 1.329 4.538) 6.932 5.087 ( -7.099 -5.143 -3.837) 9.569 5.177 ( -5.383 2.291 -2.050) 6.200 5.298 ( -3.420 -1.434 -3.561) 5.142 5.374 ( 1.857 -5.050 7.635) 9.340 5.436 ( 0.110 2.070 3.014) 3.658 5.589 ( 5.470 -3.121 -3.043) 6.995 5.626 ( 1.385 0.040 -0.111) 1.390 5.655 ( 5.196 0.951 -1.028) 5.381 5.812 ( 12.698 -3.431 -6.794) 14.805 6.180 ( -0.093 2.651 -3.515) 4.404 6.231 ( 1.533 -2.547 0.571) 3.027 6.254 ( 1.898 -4.129 -0.164) 4.547 6.362 ( 5.174 -1.526 -1.148) 5.515 6.429 ( 0.223 6.106 0.644) 6.143 6.524 ( 4.548 4.324 0.272) 6.281 6.618 ( 3.325 -1.249 1.102) 3.718 6.651 ( 4.256 -1.921 1.085) 4.794 7.149 ( 3.157 3.056 10.174) 11.082 7.301 ( 4.897 1.521 -2.092) 5.539 7.319 ( 2.290 -3.880 3.499) 5.705 7.429 ( 1.728 -2.773 -2.717) 4.250 7.484 ( -1.266 5.077 4.543) 6.930 7.634 ( -3.650 7.404 -9.540) 12.615 7.708 ( -5.654 -3.342 8.525) 10.762 7.953 ( -7.185 -4.835 -13.980) 16.445 8.247 ( -2.036 0.592 5.873) 6.244 8.298 ( -4.624 -0.867 4.815) 6.732 8.390 ( -0.008 0.309 -5.828) 5.836 8.408 ( -3.963 -0.685 -5.673) 6.954 9.139 ( -9.861 0.761 7.641) 12.498 9.178 ( -11.727 -1.089 7.110) 13.757 9.291 ( -6.790 1.849 -5.339) 8.834 9.333 ( -9.315 0.859 -3.434) 9.965 9.917 ( 11.009 1.189 3.950) 11.756 9.978 ( 9.800 1.580 2.092) 10.145 10.052 ( 12.774 -2.228 3.106) 13.333 10.082 ( 6.203 -2.544 -0.026) 6.705 10.540 ( 5.246 0.595 7.394) 9.086 10.558 ( 6.885 0.569 8.524) 10.972 10.733 ( 5.874 0.700 -10.162) 11.758 10.780 ( 8.322 -0.660 -11.476) 14.191 11.855 ( 15.758 0.301 37.430) 40.613 11.866 ( 14.969 -0.132 36.227) 39.198 12.520 ( 14.365 0.168 -31.876) 34.964 12.527 ( 15.625 -0.058 -32.529) 36.087 15.588 ( -3.219 22.876 10.978) 25.577 15.930 ( 8.062 27.814 -4.702) 29.338 17.190 ( -16.261 -42.391 9.415) 46.369 17.689 ( 0.274 -43.640 -3.903) 43.816 21.021 ( -7.118 27.117 0.353) 28.038 21.425 ( 9.454 36.879 -4.991) 38.397 22.118 ( -8.656 -16.381 13.712) 23.049 22.444 ( -0.913 -4.261 -1.289) 4.545 22.563 ( -0.807 -0.650 6.103) 6.190 22.643 ( -4.787 -1.602 -5.476) 7.448 22.711 ( -2.607 -0.826 -5.515) 6.156 22.728 ( -1.043 -6.699 -8.752) 11.070 ======================= Grid point 191 (68/75) ======================= q-point: ( 0.22 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 3.458 -0.219 2.630) 4.350 1.640 ( 6.995 -0.709 5.099) 8.685 1.700 ( 7.267 0.483 -3.136) 7.930 1.766 ( 4.321 1.228 5.374) 7.005 1.888 ( 5.785 -0.254 4.143) 7.120 2.020 ( -11.356 -3.330 14.646) 18.830 2.163 ( -9.456 2.534 -16.904) 19.534 2.387 ( -11.405 -3.984 -15.366) 19.546 3.037 ( 0.995 -0.019 8.972) 9.027 3.174 ( -8.153 0.251 8.535) 11.806 3.238 ( 10.042 1.674 6.191) 11.915 3.281 ( 7.542 -2.314 -2.880) 8.398 3.422 ( 1.726 6.993 -2.091) 7.500 3.461 ( -7.977 2.612 -4.304) 9.433 3.552 ( -3.482 -0.448 4.905) 6.032 3.629 ( 1.004 0.436 3.308) 3.484 3.856 ( -7.302 -2.685 6.539) 10.163 3.894 ( -0.152 -5.706 -6.546) 8.685 4.064 ( -4.335 0.525 -9.001) 10.004 4.114 ( -2.110 0.481 -4.322) 4.834 4.193 ( -4.454 0.986 7.018) 8.370 4.235 ( -2.086 -0.472 3.985) 4.523 4.321 ( -3.564 1.938 -5.159) 6.563 4.379 ( -5.301 0.165 -7.116) 8.875 4.607 ( -11.001 1.383 -1.138) 11.146 4.703 ( -7.945 4.243 -0.172) 9.008 4.872 ( -12.698 -8.323 0.219) 15.185 4.899 ( -5.527 -4.817 -0.224) 7.335 5.076 ( -6.694 3.906 4.180) 8.805 5.176 ( -8.073 5.507 -5.746) 11.337 5.299 ( -7.590 -4.170 5.470) 10.243 5.406 ( -7.442 -3.595 -4.669) 9.493 5.635 ( 9.102 3.745 6.150) 11.605 5.806 ( 10.648 6.266 -4.121) 13.024 5.859 ( 13.146 -3.644 12.145) 18.265 6.024 ( 6.952 -5.571 -1.836) 9.096 6.213 ( 4.097 4.528 -7.262) 9.488 6.265 ( 1.434 -4.647 1.285) 5.030 6.318 ( 5.170 -7.386 -1.143) 9.088 6.458 ( 2.954 8.346 0.640) 8.877 6.472 ( 6.508 -3.187 -2.673) 7.724 6.610 ( 3.681 4.797 1.151) 6.155 6.693 ( 4.242 -0.326 1.031) 4.378 6.740 ( 5.001 -2.723 -1.845) 5.986 7.189 ( -0.718 3.845 13.760) 14.305 7.360 ( -0.188 -2.322 9.859) 10.130 7.431 ( 4.842 0.813 -6.414) 8.078 7.456 ( 5.063 -0.250 -0.051) 5.069 7.489 ( 3.227 1.293 -4.082) 5.362 7.573 ( -7.503 -1.061 2.991) 8.147 7.593 ( 0.804 4.393 -4.043) 6.024 7.809 ( -6.779 -3.779 -13.790) 15.824 8.194 ( -4.942 -0.109 4.396) 6.615 8.211 ( -2.825 -1.034 5.074) 5.899 8.316 ( -5.132 0.998 -5.791) 7.802 8.370 ( -2.156 -0.294 -5.556) 5.967 8.929 ( -12.121 -0.156 6.351) 13.685 8.950 ( -11.623 -0.600 6.286) 13.228 9.113 ( -12.518 2.294 -5.581) 13.896 9.120 ( -10.914 1.944 -5.340) 12.305 10.113 ( 9.481 -0.666 2.106) 9.735 10.190 ( 10.541 -0.075 3.052) 10.974 10.222 ( 8.217 -1.942 1.347) 8.551 10.287 ( 10.486 -2.712 -1.321) 10.911 10.670 ( 8.945 2.234 9.864) 13.502 10.737 ( 10.111 -0.172 9.857) 14.122 10.871 ( 7.970 1.837 -8.853) 12.052 10.947 ( 8.458 -0.630 -8.900) 12.294 12.263 ( 26.028 0.118 36.176) 44.567 12.265 ( 25.958 0.094 35.362) 43.867 12.874 ( 21.200 0.439 -28.100) 35.202 12.897 ( 21.379 -0.402 -29.012) 36.040 15.548 ( -0.604 14.206 9.015) 16.836 16.107 ( 10.360 29.668 -4.513) 31.748 16.832 ( -20.760 -39.310 4.749) 44.708 17.601 ( -9.912 -25.250 -1.053) 27.146 20.936 ( -1.276 15.194 -0.499) 15.255 21.602 ( 9.137 31.566 -3.047) 33.003 21.906 ( -13.177 -18.620 8.716) 24.419 22.401 ( -3.995 -1.160 -3.569) 5.481 22.531 ( -3.055 -0.761 2.787) 4.205 22.554 ( -3.188 -0.663 1.034) 3.416 22.646 ( -3.974 -0.974 -4.597) 6.154 22.684 ( -3.434 -5.302 -7.261) 9.625 ======================= Grid point 192 (69/75) ======================= q-point: ( 0.33 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 2.532 1.403 9.489) 9.921 1.673 ( 1.641 3.047 9.842) 10.433 1.841 ( 4.088 6.770 -2.631) 8.335 1.849 ( 3.453 -0.252 -3.110) 4.654 1.895 ( -0.291 0.054 -2.496) 2.513 2.042 ( -2.026 -3.142 -9.078) 9.818 2.108 ( 7.451 -3.394 0.712) 8.218 2.274 ( 9.741 -6.214 -13.373) 17.673 2.770 ( -21.676 4.002 11.327) 24.782 3.007 ( -13.412 -4.252 8.395) 16.384 3.052 ( -18.056 1.288 -11.193) 21.283 3.275 ( -12.438 -4.650 -7.053) 15.036 3.486 ( 10.382 2.739 2.728) 11.079 3.575 ( 10.861 3.462 4.180) 12.142 3.649 ( 6.170 0.034 5.561) 8.306 3.690 ( 4.617 0.461 4.299) 6.325 3.764 ( -2.370 0.441 2.235) 3.287 3.904 ( 0.557 -3.233 -1.530) 3.620 3.980 ( -3.598 2.078 -6.727) 7.907 4.091 ( -1.648 0.045 0.920) 1.888 4.132 ( -0.641 1.443 1.969) 2.524 4.200 ( -1.214 -0.031 -1.056) 1.609 4.269 ( -3.144 -0.546 -5.848) 6.662 4.285 ( -3.105 0.602 -4.330) 5.362 4.453 ( -5.091 -0.448 0.255) 5.117 4.617 ( -1.198 4.594 -0.368) 4.762 4.644 ( -10.561 -8.113 1.125) 13.365 4.812 ( -2.701 -4.851 -1.358) 5.715 4.933 ( -7.771 5.085 3.327) 9.865 5.030 ( -6.447 5.035 -3.413) 8.864 5.134 ( -9.151 -2.877 3.561) 10.232 5.228 ( -10.134 -3.045 -5.213) 11.796 5.831 ( 9.607 2.633 6.037) 11.648 5.999 ( 9.223 5.334 0.307) 10.659 6.057 ( 4.889 -6.572 4.861) 9.525 6.093 ( 4.383 1.783 7.414) 8.795 6.271 ( 0.307 -5.130 1.786) 5.440 6.328 ( 6.601 2.297 -2.286) 7.353 6.399 ( 1.518 -2.440 1.889) 3.439 6.530 ( 5.363 2.442 0.226) 5.897 6.632 ( 8.287 -0.245 -6.451) 10.505 6.644 ( 1.089 3.586 0.678) 3.808 6.774 ( 4.220 -1.306 1.978) 4.840 6.822 ( 2.352 -4.165 -1.293) 4.955 7.135 ( -2.653 2.451 7.458) 8.286 7.267 ( -6.362 0.310 6.758) 9.286 7.380 ( -8.760 -0.294 -3.475) 9.428 7.501 ( -5.297 -2.310 -4.871) 7.557 7.581 ( 9.616 1.391 -2.655) 10.072 7.659 ( 11.295 -1.249 0.033) 11.364 7.667 ( 6.932 3.921 -2.790) 8.439 7.777 ( 4.705 -1.721 -8.829) 10.152 8.099 ( -4.655 0.852 3.943) 6.159 8.155 ( -3.577 -1.669 3.068) 4.999 8.223 ( -4.807 1.336 -5.018) 7.076 8.309 ( -4.503 -0.726 -4.525) 6.425 8.709 ( -10.137 0.080 2.611) 10.468 8.748 ( -9.390 -0.492 4.499) 10.424 8.876 ( -11.435 3.548 -4.204) 12.690 8.915 ( -10.400 1.737 -5.534) 11.908 10.269 ( 6.728 -2.039 1.933) 7.291 10.330 ( 4.842 -4.061 3.148) 7.060 10.380 ( 7.224 1.020 -0.054) 7.296 10.436 ( 5.391 -1.629 -0.304) 5.640 10.851 ( 9.272 1.535 7.223) 11.853 10.911 ( 7.743 -0.699 7.968) 11.132 11.012 ( 6.424 2.742 -5.079) 8.636 11.078 ( 5.006 0.347 -4.741) 6.903 12.776 ( 26.429 0.319 31.032) 40.763 12.788 ( 27.442 -0.165 29.370) 40.195 13.240 ( 15.235 0.328 -16.883) 22.743 13.257 ( 14.852 -0.311 -18.289) 23.562 15.581 ( 4.655 4.331 5.996) 8.739 16.321 ( 12.110 26.573 -5.309) 29.682 16.428 ( -21.041 -30.149 1.237) 36.786 17.327 ( -18.165 -5.952 -1.545) 19.178 20.980 ( 5.686 0.859 0.067) 5.751 21.638 ( -14.408 -19.099 5.369) 24.519 21.774 ( 8.879 24.830 -2.651) 26.503 22.285 ( -7.937 4.900 -5.023) 10.594 22.482 ( -1.336 -1.088 1.724) 2.438 22.516 ( -1.491 -1.527 1.740) 2.754 22.571 ( -3.688 -1.290 -3.440) 5.205 22.609 ( -4.125 -3.562 -5.300) 7.602 ======================= Grid point 193 (70/75) ======================= q-point: ( 0.44 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 2.050 -1.929 2.782) 3.957 1.704 ( -0.482 -3.241 5.153) 6.106 1.809 ( -2.468 3.007 -5.133) 6.441 1.869 ( -5.320 3.633 -6.449) 9.116 1.981 ( 12.129 6.612 4.334) 14.478 2.156 ( 19.060 6.795 -11.553) 23.301 2.310 ( -12.771 4.363 10.054) 16.829 2.385 ( 3.889 0.716 7.472) 8.454 2.612 ( 7.070 -6.950 -8.680) 13.177 2.637 ( -5.383 -3.614 -13.100) 14.616 2.767 ( -16.156 -8.414 6.985) 19.509 2.977 ( -18.033 -9.702 -11.027) 23.258 3.641 ( 6.002 3.764 3.772) 8.026 3.704 ( 3.085 3.195 2.470) 5.082 3.721 ( -2.088 3.062 3.120) 4.844 3.741 ( 0.230 1.873 5.689) 5.994 3.781 ( 6.408 -0.002 3.915) 7.509 3.887 ( -3.670 -2.191 2.854) 5.140 3.960 ( 2.872 1.877 -6.447) 7.303 4.049 ( -4.064 -1.353 -4.268) 6.046 4.139 ( 1.785 0.622 0.603) 1.984 4.191 ( -3.246 -0.208 -2.646) 4.193 4.223 ( 2.782 0.598 -3.197) 4.280 4.263 ( -1.177 -0.300 -1.854) 2.216 4.418 ( 1.023 -2.773 1.436) 3.286 4.484 ( -6.024 -5.868 1.569) 8.554 4.653 ( 4.427 4.858 -0.159) 6.574 4.761 ( -5.844 2.936 -0.930) 6.605 4.852 ( 2.725 -0.557 2.392) 3.669 4.951 ( -3.766 -0.182 1.493) 4.055 4.982 ( -3.975 0.843 -1.458) 4.318 5.048 ( -7.946 -0.814 -4.482) 9.159 5.974 ( 5.519 -1.448 3.026) 6.458 6.048 ( -2.397 -4.087 1.736) 5.046 6.150 ( 5.452 1.871 1.527) 5.963 6.190 ( 2.146 3.891 4.335) 6.208 6.282 ( 2.482 -4.735 6.492) 8.410 6.365 ( -4.117 -0.020 6.291) 7.518 6.471 ( 7.561 6.154 0.691) 9.773 6.593 ( -4.752 6.853 1.227) 8.429 6.651 ( 6.878 -1.315 4.880) 8.536 6.776 ( -5.178 -2.591 6.386) 8.620 6.800 ( 6.011 -2.895 -6.932) 9.622 6.844 ( 1.587 -3.626 0.134) 3.961 7.137 ( 1.037 -0.873 -3.223) 3.496 7.188 ( -2.468 -2.384 2.595) 4.302 7.244 ( -1.396 1.964 -4.235) 4.873 7.354 ( -8.456 -2.450 -7.570) 11.611 7.773 ( 9.406 2.428 -0.002) 9.714 7.812 ( 7.614 2.421 -2.264) 8.304 7.851 ( 6.283 -0.237 -0.292) 6.294 7.878 ( 1.182 -0.113 -3.030) 3.254 8.044 ( 0.908 -0.124 0.204) 0.939 8.083 ( -2.149 -0.372 0.902) 2.361 8.123 ( -5.560 -0.072 -3.490) 6.565 8.189 ( -7.957 -0.834 -3.139) 8.594 8.584 ( -2.400 -0.158 -0.883) 2.562 8.612 ( -4.731 -0.825 -0.094) 4.804 8.722 ( -3.662 4.319 -1.705) 5.914 8.751 ( -6.051 2.691 -3.382) 7.436 10.362 ( 3.079 -3.190 1.535) 4.691 10.384 ( 0.857 -3.975 1.730) 4.419 10.478 ( 3.063 0.501 1.191) 3.325 10.497 ( 1.100 -0.327 1.428) 1.832 10.989 ( 4.631 -0.160 2.202) 5.131 11.011 ( 2.358 -0.952 2.888) 3.848 11.103 ( 3.177 3.086 0.465) 4.453 11.130 ( 0.489 1.946 0.182) 2.015 13.203 ( 17.249 0.605 19.219) 25.832 13.230 ( 17.456 -0.416 16.910) 24.307 13.384 ( -0.997 0.512 1.511) 1.882 13.404 ( -0.379 -0.256 -1.080) 1.173 15.740 ( 12.301 -7.577 1.168) 14.494 16.039 ( -18.735 -20.111 -0.411) 27.488 16.598 ( 16.749 21.165 -5.730) 27.592 16.953 ( -20.207 9.955 -3.737) 22.834 21.138 ( 10.682 -10.242 1.269) 14.853 21.370 ( -13.524 -16.776 2.950) 21.749 21.946 ( 9.171 18.031 -2.827) 20.426 22.120 ( -9.145 11.316 -3.737) 15.021 22.478 ( 0.746 -2.600 -0.708) 2.796 22.498 ( -0.650 -2.432 -0.260) 2.531 22.518 ( -1.326 -0.739 -2.174) 2.652 22.540 ( -2.881 -1.466 -2.889) 4.336 ======================= Grid point 198 (71/75) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 -7.979 5.965) 9.962 1.440 ( 0.000 7.979 5.965) 9.962 1.548 ( 0.000 -3.823 -5.886) 7.019 1.548 ( 0.000 3.823 -5.886) 7.019 2.336 ( 0.000 -10.919 12.247) 16.408 2.336 ( 0.000 10.919 12.247) 16.408 2.468 ( 0.000 -7.165 -0.592) 7.189 2.468 ( 0.000 7.165 -0.592) 7.189 2.869 ( 0.000 -10.386 3.057) 10.827 2.869 ( 0.000 10.386 3.057) 10.827 2.935 ( 0.000 -5.240 -3.822) 6.486 2.935 ( 0.000 5.240 -3.822) 6.486 3.575 ( 0.000 -5.767 7.009) 9.077 3.575 ( 0.000 5.767 7.009) 9.077 3.739 ( 0.000 -9.202 -10.172) 13.717 3.739 ( 0.000 9.202 -10.172) 13.717 4.073 ( 0.000 -6.504 5.935) 8.805 4.073 ( 0.000 6.504 5.935) 8.805 4.206 ( 0.000 -8.027 -6.900) 10.585 4.206 ( 0.000 8.027 -6.900) 10.585 4.331 ( 0.000 -4.421 5.498) 7.055 4.331 ( 0.000 4.421 5.498) 7.055 4.441 ( 0.000 -5.829 -5.147) 7.776 4.441 ( 0.000 5.829 -5.147) 7.776 4.988 ( 0.000 -11.569 10.170) 15.403 4.988 ( 0.000 11.569 10.170) 15.403 5.115 ( 0.000 -5.087 -2.229) 5.554 5.115 ( 0.000 5.087 -2.229) 5.554 5.242 ( 0.000 -6.344 -0.087) 6.345 5.242 ( 0.000 6.344 -0.087) 6.345 5.289 ( 0.000 -7.393 -6.415) 9.788 5.289 ( 0.000 7.393 -6.415) 9.788 5.569 ( 0.000 -2.656 2.487) 3.638 5.569 ( 0.000 2.656 2.487) 3.638 5.657 ( 0.000 -4.040 -5.632) 6.932 5.657 ( 0.000 4.040 -5.632) 6.932 6.217 ( 0.000 -1.876 -0.326) 1.905 6.217 ( 0.000 1.876 -0.326) 1.905 6.242 ( 0.000 -2.457 -2.736) 3.677 6.242 ( 0.000 2.457 -2.736) 3.677 6.536 ( 0.000 -3.587 1.683) 3.962 6.536 ( 0.000 3.587 1.683) 3.962 6.537 ( 0.000 -3.258 1.717) 3.683 6.537 ( 0.000 3.258 1.717) 3.683 7.211 ( 0.000 -4.910 6.516) 8.158 7.211 ( 0.000 4.910 6.516) 8.158 7.313 ( 0.000 -4.051 -4.125) 5.782 7.313 ( 0.000 4.051 -4.125) 5.782 7.642 ( 0.000 -6.966 9.382) 11.685 7.642 ( 0.000 6.966 9.382) 11.685 7.868 ( 0.000 -9.380 -13.561) 16.489 7.868 ( 0.000 9.380 -13.561) 16.489 8.312 ( 0.000 -2.243 5.444) 5.888 8.312 ( 0.000 2.243 5.444) 5.888 8.410 ( 0.000 -1.899 -4.793) 5.155 8.410 ( 0.000 1.899 -4.793) 5.155 9.298 ( 0.000 -2.022 5.588) 5.943 9.298 ( 0.000 2.022 5.588) 5.943 9.388 ( 0.000 -1.872 -2.254) 2.929 9.388 ( 0.000 1.872 -2.254) 2.929 9.840 ( 0.000 -3.001 8.484) 8.999 9.840 ( 0.000 3.001 8.484) 8.999 9.952 ( 0.000 -3.818 -2.921) 4.807 9.952 ( 0.000 3.818 -2.921) 4.807 10.491 ( 0.000 -1.518 7.285) 7.442 10.491 ( 0.000 1.518 7.285) 7.442 10.680 ( 0.000 -0.615 -11.956) 11.972 10.680 ( 0.000 0.615 -11.956) 11.972 11.713 ( 0.000 -0.562 36.645) 36.649 11.713 ( 0.000 0.562 36.645) 36.649 12.375 ( 0.000 -0.230 -32.537) 32.538 12.375 ( 0.000 0.230 -32.537) 32.538 16.489 ( 0.000 -51.731 6.112) 52.091 16.489 ( 0.000 51.731 6.112) 52.091 16.520 ( 0.000 -40.196 1.835) 40.238 16.520 ( 0.000 40.196 1.835) 40.238 21.758 ( 0.000 -27.512 14.789) 31.235 21.758 ( 0.000 27.512 14.789) 31.235 22.073 ( 0.000 -30.803 -18.438) 35.900 22.073 ( 0.000 30.803 -18.438) 35.900 22.587 ( 0.000 -2.274 6.854) 7.221 22.587 ( 0.000 2.274 6.854) 7.221 22.720 ( 0.000 -0.875 -6.951) 7.006 22.720 ( 0.000 0.875 -6.951) 7.006 ======================= Grid point 200 (72/75) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 4.258 -5.275 6.289) 9.247 1.480 ( 4.258 5.275 6.289) 9.247 1.597 ( 5.179 -1.532 -6.359) 8.343 1.597 ( 5.179 1.532 -6.359) 8.343 2.144 ( -12.509 -7.085 14.508) 20.425 2.144 ( -12.509 7.085 14.508) 20.425 2.457 ( -7.616 -6.875 -10.948) 15.004 2.457 ( -7.616 6.875 -10.948) 15.004 2.943 ( 12.200 -4.169 9.024) 15.737 2.943 ( 12.200 4.169 9.024) 15.737 3.088 ( 9.465 -4.346 -2.894) 10.809 3.088 ( 9.465 4.346 -2.894) 10.809 3.545 ( -2.879 -4.971 7.190) 9.203 3.545 ( -2.879 4.971 7.190) 9.203 3.719 ( -2.924 -8.484 -9.516) 13.080 3.719 ( -2.924 8.484 -9.516) 13.080 3.947 ( -10.297 -5.965 4.919) 12.877 3.947 ( -10.297 5.965 4.919) 12.877 4.175 ( -4.236 -3.704 -6.543) 8.630 4.175 ( -4.236 3.704 -6.543) 8.630 4.272 ( -3.372 -1.685 6.123) 7.190 4.272 ( -3.372 1.685 6.123) 7.190 4.431 ( -2.066 -3.188 -5.992) 7.094 4.431 ( -2.066 3.188 -5.992) 7.094 4.897 ( -8.684 -5.553 1.448) 10.408 4.897 ( -8.684 5.553 1.448) 10.408 5.000 ( -11.563 -4.234 -0.340) 12.318 5.000 ( -11.563 4.234 -0.340) 12.318 5.231 ( 2.067 -4.793 6.284) 8.169 5.231 ( 2.067 4.793 6.284) 8.169 5.378 ( 1.509 -6.458 -5.417) 8.563 5.378 ( 1.509 6.458 -5.417) 8.563 5.579 ( 2.360 -2.869 2.247) 4.342 5.579 ( 2.360 2.869 2.247) 4.342 5.739 ( 9.356 -4.135 -4.205) 11.060 5.739 ( 9.356 4.135 -4.205) 11.060 6.198 ( -0.624 -0.453 -0.242) 0.808 6.198 ( -0.624 0.453 -0.242) 0.808 6.276 ( 2.716 -5.471 -3.161) 6.877 6.276 ( 2.716 5.471 -3.161) 6.877 6.568 ( 3.023 -5.702 1.495) 6.625 6.568 ( 3.023 5.702 1.495) 6.625 6.592 ( 4.718 -1.814 1.138) 5.182 6.592 ( 4.718 1.814 1.138) 5.182 7.226 ( 2.427 -4.164 6.424) 8.031 7.226 ( 2.427 4.164 6.424) 8.031 7.363 ( 4.230 -3.401 -1.995) 5.783 7.363 ( 4.230 3.401 -1.995) 5.783 7.602 ( -3.880 -5.841 7.137) 10.006 7.602 ( -3.880 5.841 7.137) 10.006 7.811 ( -5.426 -8.301 -12.716) 16.126 7.811 ( -5.426 8.301 -12.716) 16.126 8.272 ( -3.553 -1.533 5.698) 6.888 8.272 ( -3.553 1.533 5.698) 6.888 8.395 ( -1.785 -0.399 -5.859) 6.138 8.395 ( -1.785 0.399 -5.859) 6.138 9.158 ( -11.065 -0.933 7.027) 13.141 9.158 ( -11.065 0.933 7.027) 13.141 9.328 ( -7.261 -1.308 -4.190) 8.485 9.328 ( -7.261 1.308 -4.190) 8.485 9.967 ( 9.850 -2.987 4.664) 11.300 9.967 ( 9.850 2.987 4.664) 11.300 10.034 ( 8.687 -1.541 -0.277) 8.827 10.034 ( 8.687 1.541 -0.277) 8.827 10.556 ( 6.542 -0.652 8.825) 11.005 10.556 ( 6.542 0.652 8.825) 11.005 10.757 ( 7.300 -1.391 -11.531) 13.718 10.757 ( 7.300 1.391 -11.531) 13.718 11.861 ( 15.398 -0.317 36.898) 39.984 11.861 ( 15.398 0.317 36.898) 39.984 12.524 ( 14.976 -0.181 -32.260) 35.567 12.524 ( 14.976 0.181 -32.260) 35.567 16.272 ( -12.312 -41.590 3.969) 43.555 16.272 ( -12.312 41.590 3.969) 43.555 16.714 ( 9.733 -45.655 3.367) 46.803 16.714 ( 9.733 45.655 3.367) 46.803 21.641 ( -10.451 -28.657 7.881) 31.505 21.641 ( -10.451 28.657 7.881) 31.505 22.120 ( 3.451 -27.135 -11.278) 29.588 22.120 ( 3.451 27.135 -11.278) 29.588 22.572 ( -1.595 -1.883 6.196) 6.669 22.572 ( -1.595 1.883 6.196) 6.669 22.695 ( -2.547 -0.675 -6.561) 7.070 22.695 ( -2.547 0.675 -6.561) 7.070 ======================= Grid point 202 (73/75) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 7.826 -2.021 8.430) 11.678 1.599 ( 7.826 2.021 8.430) 11.678 1.739 ( 9.325 -2.537 -6.224) 11.495 1.739 ( 9.325 2.537 -6.224) 11.495 1.941 ( -7.483 -4.013 11.918) 14.634 1.941 ( -7.483 4.013 11.918) 14.634 2.261 ( -11.294 -6.680 -14.402) 19.483 2.261 ( -11.294 6.680 -14.402) 19.483 3.101 ( -3.250 -5.261 5.132) 8.036 3.101 ( -3.250 5.261 5.132) 8.036 3.270 ( 10.685 -0.557 3.043) 11.124 3.270 ( 10.685 0.557 3.043) 11.124 3.501 ( -3.086 -1.879 3.531) 5.052 3.501 ( -3.086 1.879 3.531) 5.052 3.589 ( -5.513 -5.326 -2.625) 8.103 3.589 ( -5.513 5.326 -2.625) 8.103 3.822 ( -2.055 -1.736 -0.287) 2.705 3.822 ( -2.055 1.736 -0.287) 2.705 4.096 ( -2.926 -1.981 -5.693) 6.700 4.096 ( -2.926 1.981 -5.693) 6.700 4.215 ( -2.975 -1.244 6.423) 7.187 4.215 ( -2.975 1.244 6.423) 7.187 4.363 ( -4.662 -1.624 -6.998) 8.564 4.363 ( -4.662 1.624 -6.998) 8.564 4.692 ( -11.661 -7.056 -0.497) 13.639 4.692 ( -11.661 7.056 -0.497) 13.639 4.807 ( -7.956 -4.819 -0.218) 9.304 4.807 ( -7.956 4.819 -0.218) 9.304 5.181 ( -6.290 -5.967 5.845) 10.456 5.181 ( -6.290 5.967 5.845) 10.456 5.301 ( -7.819 -5.817 -6.386) 11.651 5.301 ( -7.819 5.817 -6.386) 11.651 5.740 ( 11.726 -6.106 6.724) 14.833 5.740 ( 11.726 6.106 6.724) 14.833 5.942 ( 10.349 -5.259 -0.352) 11.614 5.942 ( 10.349 5.259 -0.352) 11.614 6.204 ( 1.111 -0.989 0.611) 1.609 6.204 ( 1.111 0.989 0.611) 1.609 6.351 ( 5.545 -7.018 -5.530) 10.516 6.351 ( 5.545 7.018 -5.530) 10.516 6.627 ( 3.116 -6.728 0.475) 7.429 6.627 ( 3.116 6.728 0.475) 7.429 6.684 ( 4.447 -1.454 0.405) 4.696 6.684 ( 4.447 1.454 0.405) 4.696 7.282 ( 0.613 -4.659 12.463) 13.320 7.282 ( 0.613 4.659 12.463) 13.320 7.449 ( 5.528 -0.921 -0.946) 5.683 7.449 ( 5.528 0.921 -0.946) 5.683 7.533 ( -2.523 -2.434 -2.341) 4.216 7.533 ( -2.523 2.434 -2.341) 4.216 7.704 ( -4.006 -5.813 -10.248) 12.445 7.704 ( -4.006 5.813 -10.248) 12.445 8.196 ( -4.186 -0.533 4.531) 6.192 8.196 ( -4.186 0.533 4.531) 6.192 8.346 ( -3.241 -1.695 -5.201) 6.358 8.346 ( -3.241 1.695 -5.201) 6.358 8.936 ( -11.831 -0.658 5.711) 13.154 8.936 ( -11.831 0.658 5.711) 13.154 9.143 ( -11.366 -0.246 -4.981) 12.412 9.143 ( -11.366 0.246 -4.981) 12.412 10.135 ( 7.955 -2.695 3.031) 8.930 10.135 ( 7.955 2.695 3.031) 8.930 10.237 ( 10.577 -1.818 -0.617) 10.750 10.237 ( 10.577 1.819 -0.617) 10.750 10.715 ( 9.480 -1.830 10.412) 14.199 10.715 ( 9.480 1.830 10.412) 14.199 10.918 ( 8.768 -2.179 -9.309) 12.972 10.918 ( 8.768 2.179 -9.309) 12.972 12.265 ( 25.984 -0.082 35.882) 44.303 12.265 ( 25.984 0.082 35.882) 44.303 12.886 ( 21.259 -0.616 -28.640) 35.673 12.886 ( 21.259 0.616 -28.640) 35.673 16.046 ( -11.331 -33.076 2.932) 35.085 16.046 ( -11.331 33.076 2.932) 35.085 16.864 ( 5.925 -40.272 2.301) 40.771 16.864 ( 5.925 40.272 2.301) 40.771 21.419 ( -12.000 -26.541 2.693) 29.252 21.419 ( -12.000 26.541 2.693) 29.252 22.174 ( 2.166 -21.283 -5.564) 22.104 22.174 ( 2.166 21.283 -5.564) 22.104 22.530 ( -2.654 -1.074 4.179) 5.066 22.530 ( -2.654 1.074 4.179) 5.066 22.631 ( -3.908 -0.358 -5.322) 6.613 22.631 ( -3.908 0.358 -5.322) 6.613 ======================= Grid point 204 (74/75) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -1.076 -1.460 13.584) 13.705 1.688 ( -1.076 1.460 13.584) 13.705 1.879 ( 8.547 -2.971 0.943) 9.098 1.879 ( 8.547 2.971 0.943) 9.098 1.985 ( 5.122 -5.431 -4.080) 8.508 1.985 ( 5.122 5.431 -4.080) 8.508 2.103 ( 1.684 -8.277 -14.099) 16.436 2.103 ( 1.684 8.277 -14.099) 16.436 2.884 ( -16.522 -6.411 7.868) 19.391 2.884 ( -16.522 6.411 7.868) 19.391 3.141 ( -18.586 -6.478 -7.952) 21.229 3.141 ( -18.586 6.478 -7.952) 21.229 3.584 ( 9.863 -4.523 4.570) 11.774 3.584 ( 9.863 4.523 4.570) 11.774 3.661 ( 6.796 -2.573 2.662) 7.739 3.661 ( 6.796 2.573 2.662) 7.739 3.814 ( 0.338 -3.989 -1.466) 4.263 3.814 ( 0.338 3.989 -1.466) 4.263 4.054 ( -2.255 -3.578 -1.533) 4.499 4.054 ( -2.255 3.578 -1.533) 4.499 4.176 ( -0.758 -2.560 2.731) 3.819 4.176 ( -0.758 2.560 2.731) 3.819 4.276 ( -3.976 -1.003 -6.079) 7.333 4.276 ( -3.976 1.003 -6.079) 7.333 4.501 ( -7.731 -4.986 0.449) 9.210 4.501 ( -7.731 4.986 0.449) 9.210 4.714 ( -1.661 -4.641 -0.632) 4.969 4.714 ( -1.661 4.641 -0.632) 4.969 5.039 ( -7.849 -4.838 4.695) 10.347 5.039 ( -7.849 4.838 4.695) 10.347 5.143 ( -8.130 -4.643 -5.483) 10.850 5.143 ( -8.130 4.643 -5.483) 10.850 5.920 ( 6.121 -5.738 3.594) 9.127 5.920 ( 6.121 5.738 3.594) 9.127 6.106 ( 6.771 -4.095 6.088) 9.984 6.106 ( 6.771 4.095 6.088) 9.984 6.240 ( 3.157 -5.263 2.897) 6.787 6.240 ( 3.157 5.263 2.897) 6.787 6.479 ( 7.262 -6.427 -4.453) 10.671 6.479 ( 7.262 6.427 -4.453) 10.671 6.690 ( 3.562 -6.110 -1.530) 7.236 6.690 ( 3.562 6.110 -1.530) 7.236 6.743 ( 1.476 -2.821 0.282) 3.196 6.743 ( 1.476 2.821 0.282) 3.196 7.210 ( -5.636 -4.320 10.453) 12.637 7.210 ( -5.636 4.320 10.453) 12.637 7.432 ( -7.506 -3.937 -7.613) 11.392 7.432 ( -7.506 3.937 -7.613) 11.392 7.623 ( 11.094 -2.179 -1.932) 11.470 7.623 ( 11.094 2.179 -1.932) 11.470 7.734 ( 6.108 -2.503 -4.417) 7.942 7.734 ( 6.108 2.503 -4.417) 7.942 8.120 ( -3.882 -1.319 2.989) 5.074 8.120 ( -3.882 1.319 2.989) 5.074 8.271 ( -4.894 -2.582 -4.062) 6.864 8.271 ( -4.894 2.582 -4.062) 6.864 8.727 ( -9.673 -1.284 2.715) 10.128 8.727 ( -9.673 1.284 2.715) 10.128 8.929 ( -10.470 -0.925 -4.189) 11.315 8.929 ( -10.470 0.925 -4.189) 11.315 10.263 ( 5.334 -1.702 2.246) 6.032 10.263 ( 5.334 1.702 2.246) 6.032 10.400 ( 6.508 -1.303 -0.051) 6.638 10.400 ( 6.508 1.303 -0.051) 6.638 10.887 ( 8.044 -1.575 7.329) 10.995 10.887 ( 8.044 1.575 7.329) 10.995 11.064 ( 6.266 -1.809 -4.541) 7.947 11.064 ( 6.266 1.809 -4.541) 7.947 12.783 ( 26.919 -0.324 30.275) 40.513 12.783 ( 26.919 0.324 30.275) 40.513 13.249 ( 15.086 -0.459 -17.657) 23.229 13.249 ( 15.086 0.459 -17.657) 23.229 15.854 ( -8.631 -21.733 0.560) 23.391 15.854 ( -8.631 21.733 0.560) 23.391 16.936 ( 1.953 -28.203 0.588) 28.277 16.936 ( 1.953 28.203 0.588) 28.277 21.217 ( -8.784 -19.028 0.508) 20.964 21.217 ( -8.784 19.028 0.508) 20.964 22.205 ( 1.159 -14.485 -2.955) 14.828 22.205 ( 1.159 14.485 -2.955) 14.828 22.476 ( -2.916 -1.837 1.143) 3.631 22.476 ( -2.916 1.837 1.143) 3.631 22.561 ( -3.226 -0.853 -3.276) 4.676 22.561 ( -3.226 0.853 -3.276) 4.676 ======================= Grid point 206 (75/75) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.16e-06 1.16e-06 1.16e-06 1.16e-06 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -1.021 -0.751 5.296) 5.445 1.655 ( -1.021 0.751 5.296) 5.445 1.883 ( -3.336 -2.563 -5.009) 6.542 1.883 ( -3.336 2.563 -5.009) 6.542 2.175 ( 16.240 -10.643 7.498) 20.814 2.175 ( 16.240 10.643 7.498) 20.814 2.371 ( 18.025 -11.198 -11.468) 24.121 2.371 ( 18.025 11.198 -11.468) 24.121 2.543 ( -17.675 -9.699 7.838) 21.631 2.543 ( -17.675 9.699 7.838) 21.631 2.760 ( -20.733 -9.435 -13.236) 26.346 2.760 ( -20.733 9.435 -13.236) 26.346 3.725 ( 4.964 -3.130 5.272) 7.889 3.725 ( 4.964 3.130 5.272) 7.889 3.759 ( 2.383 -1.102 4.123) 4.888 3.759 ( 2.383 1.102 4.123) 4.888 3.813 ( -0.510 -4.121 -1.917) 4.574 3.813 ( -0.510 4.121 -1.917) 4.574 4.012 ( -1.643 -2.664 -0.896) 3.256 4.012 ( -1.643 2.664 -0.896) 3.256 4.174 ( 0.197 -2.484 -2.353) 3.428 4.174 ( 0.197 2.484 -2.353) 3.428 4.223 ( -1.670 -1.686 -2.265) 3.280 4.223 ( -1.670 1.686 -2.265) 3.280 4.416 ( -1.508 -1.476 1.600) 2.648 4.416 ( -1.508 1.476 1.600) 2.648 4.737 ( 3.141 -3.289 -1.488) 4.786 4.737 ( 3.141 3.289 -1.488) 4.786 4.905 ( -5.673 -3.427 4.649) 8.095 4.905 ( -5.673 3.427 4.649) 8.095 5.019 ( -3.997 -1.862 -4.567) 6.348 5.019 ( -3.997 1.862 -4.567) 6.348 5.981 ( 1.156 -2.028 1.451) 2.748 5.981 ( 1.156 2.028 1.451) 2.748 6.179 ( 1.368 -2.434 3.982) 4.864 6.179 ( 1.368 2.434 3.982) 4.864 6.320 ( 3.502 -4.450 6.725) 8.791 6.320 ( 3.502 4.450 6.725) 8.791 6.599 ( 5.075 -4.621 3.668) 7.782 6.599 ( 5.075 4.621 3.668) 7.782 6.719 ( -2.527 -2.933 1.824) 4.279 6.719 ( -2.527 2.933 1.824) 4.279 6.761 ( 1.971 -3.054 -2.823) 4.603 6.761 ( 1.971 3.054 -2.823) 4.603 7.141 ( -1.088 -1.505 -1.214) 2.218 7.141 ( -1.088 1.505 -1.214) 2.218 7.298 ( -5.190 -2.847 -5.206) 7.883 7.298 ( -5.190 2.847 -5.206) 7.883 7.822 ( 8.353 -1.799 0.355) 8.552 7.822 ( 8.353 1.799 0.355) 8.552 7.863 ( 5.235 -1.385 -3.136) 6.258 7.863 ( 5.235 1.385 -3.136) 6.258 8.055 ( -1.977 -1.264 0.481) 2.395 8.055 ( -1.977 1.264 0.481) 2.395 8.156 ( -6.673 -2.118 -2.779) 7.532 8.156 ( -6.673 2.118 -2.779) 7.532 8.595 ( -3.736 -0.850 -1.224) 4.022 8.595 ( -3.736 0.850 -1.224) 4.022 8.779 ( -4.531 -0.668 -1.989) 4.993 8.779 ( -4.531 0.668 -1.989) 4.993 10.331 ( 1.843 -0.578 1.550) 2.476 10.331 ( 1.843 0.578 1.550) 2.476 10.482 ( 2.149 -0.452 1.250) 2.527 10.482 ( 2.149 0.452 1.250) 2.527 10.998 ( 3.182 -0.584 2.372) 4.011 10.998 ( 3.182 0.584 2.372) 4.011 11.145 ( 2.153 -0.697 0.587) 2.338 11.145 ( 2.153 0.697 0.587) 2.338 13.217 ( 17.380 -0.722 18.087) 25.094 13.217 ( 17.380 0.722 18.087) 25.094 13.395 ( -0.606 -0.525 0.202) 0.827 13.395 ( -0.606 0.525 0.202) 0.827 15.736 ( -3.357 -7.692 -2.550) 8.772 15.736 ( -3.357 7.692 -2.550) 8.772 16.951 ( 0.094 -10.236 -0.921) 10.278 16.951 ( 0.094 10.236 -0.921) 10.278 21.102 ( -3.138 -6.938 -0.299) 7.620 21.102 ( -3.138 6.938 -0.299) 7.620 22.220 ( 0.486 -5.536 -1.964) 5.895 22.220 ( 0.486 5.536 -1.964) 5.895 22.431 ( -1.463 -1.444 -0.915) 2.250 22.431 ( -1.463 1.444 -0.915) 2.250 22.518 ( -1.156 -0.576 -1.880) 2.281 22.518 ( -1.156 0.576 -1.880) 2.281 =================== 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 3/27216 10.0 825.232 606.681 624.649 0.000 0.000 0.000 3/27216 20.0 151.354 115.336 136.902 0.000 0.000 0.000 3/27216 30.0 54.923 40.251 49.759 0.000 0.000 0.000 3/27216 40.0 28.194 19.779 25.471 0.000 0.000 0.000 3/27216 50.0 17.635 11.918 15.895 0.000 0.000 0.000 3/27216 60.0 12.447 8.163 11.188 0.000 0.000 0.000 3/27216 70.0 9.507 6.086 8.520 0.000 0.000 0.000 3/27216 80.0 7.669 4.811 6.853 0.000 0.000 0.000 3/27216 90.0 6.435 3.968 5.736 0.000 0.000 0.000 3/27216 100.0 5.560 3.379 4.945 0.000 0.000 0.000 3/27216 110.0 4.912 2.951 4.362 0.000 0.000 0.000 3/27216 120.0 4.415 2.629 3.916 0.000 0.000 0.000 3/27216 130.0 4.022 2.381 3.565 0.000 0.000 0.000 3/27216 140.0 3.704 2.187 3.281 0.000 0.000 0.000 3/27216 150.0 3.441 2.032 3.047 0.000 0.000 0.000 3/27216 160.0 3.218 1.907 2.850 0.000 0.000 0.000 3/27216 170.0 3.028 1.803 2.681 0.000 0.000 0.000 3/27216 180.0 2.863 1.717 2.536 0.000 0.000 0.000 3/27216 190.0 2.718 1.643 2.408 0.000 0.000 0.000 3/27216 200.0 2.589 1.580 2.294 0.000 0.000 0.000 3/27216 210.0 2.473 1.525 2.193 0.000 0.000 0.000 3/27216 220.0 2.369 1.476 2.101 0.000 0.000 0.000 3/27216 230.0 2.274 1.432 2.018 0.000 0.000 0.000 3/27216 240.0 2.188 1.393 1.942 0.000 0.000 0.000 3/27216 250.0 2.108 1.357 1.873 0.000 0.000 0.000 3/27216 260.0 2.035 1.323 1.808 0.000 0.000 0.000 3/27216 270.0 1.966 1.292 1.749 0.000 0.000 0.000 3/27216 280.0 1.903 1.263 1.694 0.000 0.000 0.000 3/27216 290.0 1.844 1.236 1.642 0.000 0.000 0.000 3/27216 300.0 1.789 1.210 1.593 0.000 0.000 0.000 3/27216 310.0 1.737 1.185 1.548 0.000 0.000 0.000 3/27216 320.0 1.688 1.161 1.505 0.000 0.000 0.000 3/27216 330.0 1.641 1.139 1.464 0.000 0.000 0.000 3/27216 340.0 1.598 1.117 1.426 0.000 0.000 0.000 3/27216 350.0 1.556 1.096 1.390 0.000 0.000 0.000 3/27216 360.0 1.517 1.076 1.356 0.000 0.000 0.000 3/27216 370.0 1.480 1.056 1.323 0.000 0.000 0.000 3/27216 380.0 1.445 1.037 1.292 0.000 0.000 0.000 3/27216 390.0 1.411 1.019 1.262 0.000 0.000 0.000 3/27216 400.0 1.379 1.001 1.234 0.000 0.000 0.000 3/27216 410.0 1.348 0.984 1.207 0.000 0.000 0.000 3/27216 420.0 1.318 0.967 1.181 0.000 0.000 0.000 3/27216 430.0 1.290 0.951 1.156 0.000 0.000 0.000 3/27216 440.0 1.263 0.935 1.132 0.000 0.000 0.000 3/27216 450.0 1.237 0.920 1.109 0.000 0.000 0.000 3/27216 460.0 1.212 0.905 1.087 0.000 0.000 0.000 3/27216 470.0 1.188 0.891 1.066 0.000 0.000 0.000 3/27216 480.0 1.165 0.877 1.046 0.000 0.000 0.000 3/27216 490.0 1.143 0.863 1.026 0.000 0.000 0.000 3/27216 500.0 1.122 0.850 1.007 0.000 0.000 0.000 3/27216 510.0 1.101 0.837 0.989 0.000 0.000 0.000 3/27216 520.0 1.082 0.825 0.971 0.000 0.000 0.000 3/27216 530.0 1.062 0.812 0.954 0.000 0.000 0.000 3/27216 540.0 1.044 0.800 0.938 0.000 0.000 0.000 3/27216 550.0 1.026 0.789 0.922 0.000 0.000 0.000 3/27216 560.0 1.009 0.778 0.907 0.000 0.000 0.000 3/27216 570.0 0.992 0.767 0.892 0.000 0.000 0.000 3/27216 580.0 0.976 0.756 0.878 0.000 0.000 0.000 3/27216 590.0 0.960 0.745 0.864 0.000 0.000 0.000 3/27216 600.0 0.945 0.735 0.850 0.000 0.000 0.000 3/27216 610.0 0.931 0.725 0.837 0.000 0.000 0.000 3/27216 620.0 0.916 0.715 0.825 0.000 0.000 0.000 3/27216 630.0 0.902 0.706 0.812 0.000 0.000 0.000 3/27216 640.0 0.889 0.697 0.800 0.000 0.000 0.000 3/27216 650.0 0.876 0.688 0.789 0.000 0.000 0.000 3/27216 660.0 0.863 0.679 0.777 0.000 0.000 0.000 3/27216 670.0 0.851 0.670 0.766 0.000 0.000 0.000 3/27216 680.0 0.839 0.662 0.756 0.000 0.000 0.000 3/27216 690.0 0.827 0.653 0.745 0.000 0.000 0.000 3/27216 700.0 0.816 0.645 0.735 0.000 0.000 0.000 3/27216 710.0 0.805 0.638 0.725 0.000 0.000 0.000 3/27216 720.0 0.794 0.630 0.716 0.000 0.000 0.000 3/27216 730.0 0.784 0.622 0.706 0.000 0.000 0.000 3/27216 740.0 0.774 0.615 0.697 0.000 0.000 0.000 3/27216 750.0 0.764 0.608 0.688 0.000 0.000 0.000 3/27216 760.0 0.754 0.601 0.680 0.000 0.000 0.000 3/27216 770.0 0.745 0.594 0.671 0.000 0.000 0.000 3/27216 780.0 0.735 0.587 0.663 0.000 0.000 0.000 3/27216 790.0 0.726 0.581 0.655 0.000 0.000 0.000 3/27216 800.0 0.718 0.574 0.647 0.000 0.000 0.000 3/27216 810.0 0.709 0.568 0.639 0.000 0.000 0.000 3/27216 820.0 0.701 0.562 0.632 0.000 0.000 0.000 3/27216 830.0 0.693 0.555 0.625 0.000 0.000 0.000 3/27216 840.0 0.685 0.550 0.617 0.000 0.000 0.000 3/27216 850.0 0.677 0.544 0.610 0.000 0.000 0.000 3/27216 860.0 0.669 0.538 0.604 0.000 0.000 0.000 3/27216 870.0 0.662 0.532 0.597 0.000 0.000 0.000 3/27216 880.0 0.654 0.527 0.590 0.000 0.000 0.000 3/27216 890.0 0.647 0.522 0.584 0.000 0.000 0.000 3/27216 900.0 0.640 0.516 0.578 0.000 0.000 0.000 3/27216 910.0 0.633 0.511 0.572 0.000 0.000 0.000 3/27216 920.0 0.627 0.506 0.566 0.000 0.000 0.000 3/27216 930.0 0.620 0.501 0.560 0.000 0.000 0.000 3/27216 940.0 0.614 0.496 0.554 0.000 0.000 0.000 3/27216 950.0 0.607 0.491 0.548 0.000 0.000 0.000 3/27216 960.0 0.601 0.487 0.543 0.000 0.000 0.000 3/27216 970.0 0.595 0.482 0.537 0.000 0.000 0.000 3/27216 980.0 0.589 0.477 0.532 0.000 0.000 0.000 3/27216 990.0 0.583 0.473 0.527 0.000 0.000 0.000 3/27216 1000.0 0.578 0.469 0.522 0.000 0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m949.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:34:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|