----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:27:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.259890609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.384246249999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.895894249999998 Atomic positions (fractional): *1 Ba 0.75308913937851 0.25000000000000 0.34988844983568 137.327 2 Ba 0.74691086062149 0.75000000000000 0.84988844983568 137.327 3 Ba 0.25308913937851 0.25000000000000 0.15011155016432 137.327 4 Ba 0.24691086062149 0.75000000000000 0.65011155016432 137.327 *5 Tm 0.92243021548116 0.25000000000000 0.60828197349850 168.934 *6 Tm 0.92667765119812 0.25000000000000 0.11033181725360 168.934 7 Tm 0.57332234880188 0.75000000000000 0.61033181725360 168.934 8 Tm 0.57756978451884 0.75000000000000 0.10828197349850 168.934 9 Tm 0.42243021548116 0.25000000000000 0.89171802650150 168.934 10 Tm 0.42667765119813 0.25000000000000 0.38966818274640 168.934 11 Tm 0.07332234880188 0.75000000000000 0.88966818274640 168.934 12 Tm 0.07756978451884 0.75000000000000 0.39171802650150 168.934 *13 O 0.98134199987777 0.75000000000000 0.71743520240604 15.999 *14 O 0.93132778174010 0.25000000000000 0.92583155480657 15.999 *15 O 0.88625275571529 0.75000000000000 0.48281868432057 15.999 *16 O 0.79027003804165 0.75000000000000 0.15553758722510 15.999 17 O 0.70972996195835 0.25000000000000 0.65553758722510 15.999 18 O 0.61374724428471 0.25000000000000 0.98281868432057 15.999 19 O 0.56867221825990 0.75000000000000 0.42583155480657 15.999 20 O 0.51865800012223 0.25000000000000 0.21743520240604 15.999 21 O 0.48134199987777 0.75000000000000 0.78256479759396 15.999 22 O 0.43132778174010 0.25000000000000 0.57416844519343 15.999 23 O 0.38625275571529 0.75000000000000 0.01718131567943 15.999 24 O 0.29027003804165 0.75000000000000 0.34446241277490 15.999 25 O 0.20972996195835 0.25000000000000 0.84446241277490 15.999 26 O 0.11374724428471 0.25000000000000 0.51718131567943 15.999 27 O 0.06867221825990 0.75000000000000 0.07416844519343 15.999 28 O 0.01865800012223 0.25000000000000 0.28256479759396 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.259890609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.384246249999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.895894249999998 Atomic positions (fractional): *1 Ba 0.75308913937851 0.25000000000000 0.34988844983568 137.327 > 1 2 Ba 0.74691086062149 0.75000000000000 0.84988844983568 137.327 > 2 3 Ba 0.25308913937851 0.25000000000000 0.15011155016432 137.327 > 3 4 Ba 0.24691086062149 0.75000000000000 0.65011155016432 137.327 > 4 *5 Tm 0.92243021548116 0.25000000000000 0.60828197349850 168.934 > 5 *6 Tm 0.92667765119812 0.25000000000000 0.11033181725360 168.934 > 6 7 Tm 0.57332234880188 0.75000000000000 0.61033181725360 168.934 > 7 8 Tm 0.57756978451884 0.75000000000000 0.10828197349850 168.934 > 8 9 Tm 0.42243021548116 0.25000000000000 0.89171802650150 168.934 > 9 10 Tm 0.42667765119813 0.25000000000000 0.38966818274640 168.934 > 10 11 Tm 0.07332234880188 0.75000000000000 0.88966818274640 168.934 > 11 12 Tm 0.07756978451884 0.75000000000000 0.39171802650150 168.934 > 12 *13 O 0.98134199987777 0.75000000000000 0.71743520240604 15.999 > 13 *14 O 0.93132778174010 0.25000000000000 0.92583155480657 15.999 > 14 *15 O 0.88625275571529 0.75000000000000 0.48281868432057 15.999 > 15 *16 O 0.79027003804165 0.75000000000000 0.15553758722510 15.999 > 16 17 O 0.70972996195835 0.25000000000000 0.65553758722510 15.999 > 17 18 O 0.61374724428471 0.25000000000000 0.98281868432057 15.999 > 18 19 O 0.56867221825990 0.75000000000000 0.42583155480657 15.999 > 19 20 O 0.51865800012223 0.25000000000000 0.21743520240604 15.999 > 20 21 O 0.48134199987777 0.75000000000000 0.78256479759396 15.999 > 21 22 O 0.43132778174010 0.25000000000000 0.57416844519343 15.999 > 22 23 O 0.38625275571529 0.75000000000000 0.01718131567943 15.999 > 23 24 O 0.29027003804165 0.75000000000000 0.34446241277490 15.999 > 24 25 O 0.20972996195835 0.25000000000000 0.84446241277490 15.999 > 25 26 O 0.11374724428471 0.25000000000000 0.51718131567943 15.999 > 26 27 O 0.06867221825990 0.75000000000000 0.07416844519343 15.999 > 27 28 O 0.01865800012223 0.25000000000000 0.28256479759396 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.259890609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.536984999999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.895894249999998 Atomic positions (fractional): *1 Ba 0.75308913937851 0.06250000000000 0.34988844983568 137.327 > 1 2 Ba 0.75308913937851 0.31250000000000 0.34988844983568 137.327 > 1 3 Ba 0.75308913937851 0.56250000000000 0.34988844983568 137.327 > 1 4 Ba 0.75308913937851 0.81250000000000 0.34988844983568 137.327 > 1 5 Ba 0.74691086062149 0.18750000000000 0.84988844983568 137.327 > 2 6 Ba 0.74691086062149 0.43750000000000 0.84988844983568 137.327 > 2 7 Ba 0.74691086062149 0.68750000000000 0.84988844983568 137.327 > 2 8 Ba 0.74691086062149 0.93750000000000 0.84988844983568 137.327 > 2 9 Ba 0.25308913937851 0.06250000000000 0.15011155016432 137.327 > 3 10 Ba 0.25308913937851 0.31250000000000 0.15011155016432 137.327 > 3 11 Ba 0.25308913937851 0.56250000000000 0.15011155016432 137.327 > 3 12 Ba 0.25308913937851 0.81250000000000 0.15011155016432 137.327 > 3 13 Ba 0.24691086062149 0.18750000000000 0.65011155016432 137.327 > 4 14 Ba 0.24691086062149 0.43750000000000 0.65011155016432 137.327 > 4 15 Ba 0.24691086062149 0.68750000000000 0.65011155016432 137.327 > 4 16 Ba 0.24691086062149 0.93750000000000 0.65011155016432 137.327 > 4 *17 Tm 0.92243021548116 0.06250000000000 0.60828197349850 168.934 > 5 18 Tm 0.92243021548116 0.31250000000000 0.60828197349850 168.934 > 5 19 Tm 0.92243021548116 0.56250000000000 0.60828197349850 168.934 > 5 20 Tm 0.92243021548116 0.81250000000000 0.60828197349850 168.934 > 5 *21 Tm 0.92667765119812 0.06250000000000 0.11033181725360 168.934 > 6 22 Tm 0.92667765119812 0.31250000000000 0.11033181725360 168.934 > 6 23 Tm 0.92667765119812 0.56250000000000 0.11033181725360 168.934 > 6 24 Tm 0.92667765119812 0.81250000000000 0.11033181725360 168.934 > 6 25 Tm 0.57332234880188 0.18750000000000 0.61033181725360 168.934 > 7 26 Tm 0.57332234880188 0.43750000000000 0.61033181725360 168.934 > 7 27 Tm 0.57332234880188 0.68750000000000 0.61033181725360 168.934 > 7 28 Tm 0.57332234880188 0.93750000000000 0.61033181725360 168.934 > 7 29 Tm 0.57756978451884 0.18750000000000 0.10828197349850 168.934 > 8 30 Tm 0.57756978451884 0.43750000000000 0.10828197349850 168.934 > 8 31 Tm 0.57756978451884 0.68750000000000 0.10828197349850 168.934 > 8 32 Tm 0.57756978451884 0.93750000000000 0.10828197349850 168.934 > 8 33 Tm 0.42243021548116 0.06250000000000 0.89171802650150 168.934 > 9 34 Tm 0.42243021548116 0.31250000000000 0.89171802650150 168.934 > 9 35 Tm 0.42243021548116 0.56250000000000 0.89171802650150 168.934 > 9 36 Tm 0.42243021548116 0.81250000000000 0.89171802650150 168.934 > 9 37 Tm 0.42667765119813 0.06250000000000 0.38966818274640 168.934 > 10 38 Tm 0.42667765119813 0.31250000000000 0.38966818274640 168.934 > 10 39 Tm 0.42667765119813 0.56250000000000 0.38966818274640 168.934 > 10 40 Tm 0.42667765119813 0.81250000000000 0.38966818274640 168.934 > 10 41 Tm 0.07332234880188 0.18750000000000 0.88966818274640 168.934 > 11 42 Tm 0.07332234880188 0.43750000000000 0.88966818274640 168.934 > 11 43 Tm 0.07332234880188 0.68750000000000 0.88966818274640 168.934 > 11 44 Tm 0.07332234880188 0.93750000000000 0.88966818274640 168.934 > 11 45 Tm 0.07756978451884 0.18750000000000 0.39171802650150 168.934 > 12 46 Tm 0.07756978451884 0.43750000000000 0.39171802650150 168.934 > 12 47 Tm 0.07756978451884 0.68750000000000 0.39171802650150 168.934 > 12 48 Tm 0.07756978451884 0.93750000000000 0.39171802650150 168.934 > 12 *49 O 0.98134199987777 0.18750000000000 0.71743520240604 15.999 > 13 50 O 0.98134199987777 0.43750000000000 0.71743520240604 15.999 > 13 51 O 0.98134199987777 0.68750000000000 0.71743520240604 15.999 > 13 52 O 0.98134199987777 0.93750000000000 0.71743520240604 15.999 > 13 *53 O 0.93132778174010 0.06250000000000 0.92583155480657 15.999 > 14 54 O 0.93132778174010 0.31250000000000 0.92583155480657 15.999 > 14 55 O 0.93132778174010 0.56250000000000 0.92583155480657 15.999 > 14 56 O 0.93132778174010 0.81250000000000 0.92583155480657 15.999 > 14 *57 O 0.88625275571529 0.18750000000000 0.48281868432057 15.999 > 15 58 O 0.88625275571529 0.43750000000000 0.48281868432057 15.999 > 15 59 O 0.88625275571529 0.68750000000000 0.48281868432057 15.999 > 15 60 O 0.88625275571529 0.93750000000000 0.48281868432057 15.999 > 15 *61 O 0.79027003804165 0.18750000000000 0.15553758722510 15.999 > 16 62 O 0.79027003804165 0.43750000000000 0.15553758722510 15.999 > 16 63 O 0.79027003804165 0.68750000000000 0.15553758722510 15.999 > 16 64 O 0.79027003804165 0.93750000000000 0.15553758722510 15.999 > 16 65 O 0.70972996195835 0.06250000000000 0.65553758722510 15.999 > 17 66 O 0.70972996195835 0.31250000000000 0.65553758722510 15.999 > 17 67 O 0.70972996195835 0.56250000000000 0.65553758722510 15.999 > 17 68 O 0.70972996195835 0.81250000000000 0.65553758722510 15.999 > 17 69 O 0.61374724428471 0.06250000000000 0.98281868432057 15.999 > 18 70 O 0.61374724428471 0.31250000000000 0.98281868432057 15.999 > 18 71 O 0.61374724428471 0.56250000000000 0.98281868432057 15.999 > 18 72 O 0.61374724428471 0.81250000000000 0.98281868432057 15.999 > 18 73 O 0.56867221825990 0.18750000000000 0.42583155480657 15.999 > 19 74 O 0.56867221825990 0.43750000000000 0.42583155480657 15.999 > 19 75 O 0.56867221825990 0.68750000000000 0.42583155480657 15.999 > 19 76 O 0.56867221825990 0.93750000000000 0.42583155480657 15.999 > 19 77 O 0.51865800012223 0.06250000000000 0.21743520240604 15.999 > 20 78 O 0.51865800012223 0.31250000000000 0.21743520240604 15.999 > 20 79 O 0.51865800012223 0.56250000000000 0.21743520240604 15.999 > 20 80 O 0.51865800012223 0.81250000000000 0.21743520240604 15.999 > 20 81 O 0.48134199987777 0.18750000000000 0.78256479759396 15.999 > 21 82 O 0.48134199987777 0.43750000000000 0.78256479759396 15.999 > 21 83 O 0.48134199987777 0.68750000000000 0.78256479759396 15.999 > 21 84 O 0.48134199987777 0.93750000000000 0.78256479759396 15.999 > 21 85 O 0.43132778174010 0.06250000000000 0.57416844519343 15.999 > 22 86 O 0.43132778174010 0.31250000000000 0.57416844519343 15.999 > 22 87 O 0.43132778174010 0.56250000000000 0.57416844519343 15.999 > 22 88 O 0.43132778174010 0.81250000000000 0.57416844519343 15.999 > 22 89 O 0.38625275571529 0.18750000000000 0.01718131567943 15.999 > 23 90 O 0.38625275571529 0.43750000000000 0.01718131567943 15.999 > 23 91 O 0.38625275571529 0.68750000000000 0.01718131567943 15.999 > 23 92 O 0.38625275571529 0.93750000000000 0.01718131567943 15.999 > 23 93 O 0.29027003804165 0.18750000000000 0.34446241277490 15.999 > 24 94 O 0.29027003804165 0.43750000000000 0.34446241277490 15.999 > 24 95 O 0.29027003804165 0.68750000000000 0.34446241277490 15.999 > 24 96 O 0.29027003804165 0.93750000000000 0.34446241277490 15.999 > 24 97 O 0.20972996195835 0.06250000000000 0.84446241277490 15.999 > 25 98 O 0.20972996195835 0.31250000000000 0.84446241277490 15.999 > 25 99 O 0.20972996195835 0.56250000000000 0.84446241277490 15.999 > 25 100 O 0.20972996195835 0.81250000000000 0.84446241277490 15.999 > 25 101 O 0.11374724428471 0.06250000000000 0.51718131567943 15.999 > 26 102 O 0.11374724428471 0.31250000000000 0.51718131567943 15.999 > 26 103 O 0.11374724428471 0.56250000000000 0.51718131567943 15.999 > 26 104 O 0.11374724428471 0.81250000000000 0.51718131567943 15.999 > 26 105 O 0.06867221825990 0.18750000000000 0.07416844519343 15.999 > 27 106 O 0.06867221825990 0.43750000000000 0.07416844519343 15.999 > 27 107 O 0.06867221825990 0.68750000000000 0.07416844519343 15.999 > 27 108 O 0.06867221825990 0.93750000000000 0.07416844519343 15.999 > 27 109 O 0.01865800012223 0.06250000000000 0.28256479759396 15.999 > 28 110 O 0.01865800012223 0.31250000000000 0.28256479759396 15.999 > 28 111 O 0.01865800012223 0.56250000000000 0.28256479759396 15.999 > 28 112 O 0.01865800012223 0.81250000000000 0.28256479759396 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3383363 0.0000000 0.0000000 0.0000000 4.4611146 0.0000000 0.0000000 0.0000000 4.3396683 -------------------------- Born effective charges -------------------------- 1 Ba 2.9089549 0.0000000 0.1043263 0.0000000 2.5169058 0.0000000 0.0931031 0.0000000 2.5895759 2 Ba 2.9089549 0.0000000 -0.1043263 0.0000000 2.5169058 0.0000000 -0.0931031 0.0000000 2.5895759 3 Ba 2.9089549 0.0000000 -0.1043263 0.0000000 2.5169058 0.0000000 -0.0931031 0.0000000 2.5895759 4 Ba 2.9089549 0.0000000 0.1043263 0.0000000 2.5169058 0.0000000 0.0931031 0.0000000 2.5895759 5 Tm 3.5628095 0.0000000 -0.2152143 0.0000000 4.1298481 0.0000000 -0.1527735 0.0000000 3.5564372 6 Tm 3.5083951 0.0000000 -0.1382414 0.0000000 4.0056985 0.0000000 -0.1533717 0.0000000 3.9155714 7 Tm 3.5083951 0.0000000 0.1382414 0.0000000 4.0056985 0.0000000 0.1533717 0.0000000 3.9155714 8 Tm 3.5628095 0.0000000 0.2152143 0.0000000 4.1298481 0.0000000 0.1527735 0.0000000 3.5564372 9 Tm 3.5628095 0.0000000 0.2152143 0.0000000 4.1298481 0.0000000 0.1527735 0.0000000 3.5564372 10 Tm 3.5083951 0.0000000 0.1382414 0.0000000 4.0056985 0.0000000 0.1533717 0.0000000 3.9155714 11 Tm 3.5083951 0.0000000 -0.1382414 0.0000000 4.0056985 0.0000000 -0.1533717 0.0000000 3.9155714 12 Tm 3.5628095 0.0000000 -0.2152143 0.0000000 4.1298481 0.0000000 -0.1527735 0.0000000 3.5564372 13 O -2.1786112 0.0000000 -0.2599063 0.0000000 -2.4776072 0.0000000 -0.3848814 0.0000000 -2.9671007 14 O -2.4938218 0.0000000 -0.1540399 0.0000000 -2.7513963 0.0000000 0.0236818 0.0000000 -2.4862573 15 O -2.3976798 0.0000000 -0.1054117 0.0000000 -2.7417647 0.0000000 -0.1272295 0.0000000 -2.5310041 16 O -2.9100467 0.0000000 0.0910797 0.0000000 -2.6816843 0.0000000 0.0763859 0.0000000 -2.0772224 17 O -2.9100467 0.0000000 -0.0910797 0.0000000 -2.6816843 0.0000000 -0.0763859 0.0000000 -2.0772224 18 O -2.3976798 0.0000000 0.1054117 0.0000000 -2.7417647 0.0000000 0.1272295 0.0000000 -2.5310041 19 O -2.4938218 0.0000000 0.1540399 0.0000000 -2.7513963 0.0000000 -0.0236818 0.0000000 -2.4862573 20 O -2.1786112 0.0000000 0.2599063 0.0000000 -2.4776072 0.0000000 0.3848814 0.0000000 -2.9671007 21 O -2.1786112 0.0000000 0.2599063 0.0000000 -2.4776072 0.0000000 0.3848814 0.0000000 -2.9671007 22 O -2.4938218 0.0000000 0.1540399 0.0000000 -2.7513963 0.0000000 -0.0236818 0.0000000 -2.4862573 23 O -2.3976798 0.0000000 0.1054117 0.0000000 -2.7417647 0.0000000 0.1272295 0.0000000 -2.5310041 24 O -2.9100467 0.0000000 -0.0910797 0.0000000 -2.6816843 0.0000000 -0.0763859 0.0000000 -2.0772224 25 O -2.9100467 0.0000000 0.0910797 0.0000000 -2.6816843 0.0000000 0.0763859 0.0000000 -2.0772224 26 O -2.3976798 0.0000000 -0.1054117 0.0000000 -2.7417647 0.0000000 -0.1272295 0.0000000 -2.5310041 27 O -2.4938218 0.0000000 -0.1540399 0.0000000 -2.7513963 0.0000000 0.0236818 0.0000000 -2.4862573 28 O -2.1786112 0.0000000 -0.2599063 0.0000000 -2.4776072 0.0000000 -0.3848814 0.0000000 -2.9671007 ---------------------------------------------------------------------------- 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: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.070 Solver_block: 200 / 480 - Time: 3.082 Solver_block: 300 / 480 - Time: 3.079 Solver_block: 400 / 480 - Time: 3.086 Solver_block: 480 / 480 - Time: 2.506 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.872 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 1918 Number of blocks in projector: 1918 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: 490 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (1918, 1883), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (294, 294), data: True |-- (294, 294), data: True |-- (490, 476), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:28:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:28:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.259890609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.384246249999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.895894249999998 Atomic positions (fractional): 1 Ba 0.75308913937851 0.25000000000000 0.34988844983568 137.327 2 Ba 0.74691086062149 0.75000000000000 0.84988844983568 137.327 3 Ba 0.25308913937851 0.25000000000000 0.15011155016432 137.327 4 Ba 0.24691086062149 0.75000000000000 0.65011155016432 137.327 5 Tm 0.92243021548116 0.25000000000000 0.60828197349850 168.934 6 Tm 0.92667765119812 0.25000000000000 0.11033181725360 168.934 7 Tm 0.57332234880188 0.75000000000000 0.61033181725360 168.934 8 Tm 0.57756978451884 0.75000000000000 0.10828197349850 168.934 9 Tm 0.42243021548116 0.25000000000000 0.89171802650150 168.934 10 Tm 0.42667765119813 0.25000000000000 0.38966818274640 168.934 11 Tm 0.07332234880188 0.75000000000000 0.88966818274640 168.934 12 Tm 0.07756978451884 0.75000000000000 0.39171802650150 168.934 13 O 0.98134199987777 0.75000000000000 0.71743520240604 15.999 14 O 0.93132778174010 0.25000000000000 0.92583155480657 15.999 15 O 0.88625275571529 0.75000000000000 0.48281868432057 15.999 16 O 0.79027003804165 0.75000000000000 0.15553758722510 15.999 17 O 0.70972996195835 0.25000000000000 0.65553758722510 15.999 18 O 0.61374724428471 0.25000000000000 0.98281868432057 15.999 19 O 0.56867221825990 0.75000000000000 0.42583155480657 15.999 20 O 0.51865800012223 0.25000000000000 0.21743520240604 15.999 21 O 0.48134199987777 0.75000000000000 0.78256479759396 15.999 22 O 0.43132778174010 0.25000000000000 0.57416844519343 15.999 23 O 0.38625275571529 0.75000000000000 0.01718131567943 15.999 24 O 0.29027003804165 0.75000000000000 0.34446241277490 15.999 25 O 0.20972996195835 0.25000000000000 0.84446241277490 15.999 26 O 0.11374724428471 0.25000000000000 0.51718131567943 15.999 27 O 0.06867221825990 0.75000000000000 0.07416844519343 15.999 28 O 0.01865800012223 0.25000000000000 0.28256479759396 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.259890609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.536984999999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.895894249999998 Atomic positions (fractional): 1 Ba 0.75308913937851 0.06250000000000 0.34988844983568 137.327 > 1 2 Ba 0.75308913937851 0.31250000000000 0.34988844983568 137.327 > 1 3 Ba 0.75308913937851 0.56250000000000 0.34988844983568 137.327 > 1 4 Ba 0.75308913937851 0.81250000000000 0.34988844983568 137.327 > 1 5 Ba 0.74691086062149 0.18750000000000 0.84988844983568 137.327 > 5 6 Ba 0.74691086062149 0.43750000000000 0.84988844983568 137.327 > 5 7 Ba 0.74691086062149 0.68750000000000 0.84988844983568 137.327 > 5 8 Ba 0.74691086062149 0.93750000000000 0.84988844983568 137.327 > 5 9 Ba 0.25308913937851 0.06250000000000 0.15011155016432 137.327 > 9 10 Ba 0.25308913937851 0.31250000000000 0.15011155016432 137.327 > 9 11 Ba 0.25308913937851 0.56250000000000 0.15011155016432 137.327 > 9 12 Ba 0.25308913937851 0.81250000000000 0.15011155016432 137.327 > 9 13 Ba 0.24691086062149 0.18750000000000 0.65011155016432 137.327 > 13 14 Ba 0.24691086062149 0.43750000000000 0.65011155016432 137.327 > 13 15 Ba 0.24691086062149 0.68750000000000 0.65011155016432 137.327 > 13 16 Ba 0.24691086062149 0.93750000000000 0.65011155016432 137.327 > 13 17 Tm 0.92243021548116 0.06250000000000 0.60828197349850 168.934 > 17 18 Tm 0.92243021548116 0.31250000000000 0.60828197349850 168.934 > 17 19 Tm 0.92243021548116 0.56250000000000 0.60828197349850 168.934 > 17 20 Tm 0.92243021548116 0.81250000000000 0.60828197349850 168.934 > 17 21 Tm 0.92667765119812 0.06250000000000 0.11033181725360 168.934 > 21 22 Tm 0.92667765119812 0.31250000000000 0.11033181725360 168.934 > 21 23 Tm 0.92667765119812 0.56250000000000 0.11033181725360 168.934 > 21 24 Tm 0.92667765119812 0.81250000000000 0.11033181725360 168.934 > 21 25 Tm 0.57332234880188 0.18750000000000 0.61033181725360 168.934 > 25 26 Tm 0.57332234880188 0.43750000000000 0.61033181725360 168.934 > 25 27 Tm 0.57332234880188 0.68750000000000 0.61033181725360 168.934 > 25 28 Tm 0.57332234880188 0.93750000000000 0.61033181725360 168.934 > 25 29 Tm 0.57756978451884 0.18750000000000 0.10828197349850 168.934 > 29 30 Tm 0.57756978451884 0.43750000000000 0.10828197349850 168.934 > 29 31 Tm 0.57756978451884 0.68750000000000 0.10828197349850 168.934 > 29 32 Tm 0.57756978451884 0.93750000000000 0.10828197349850 168.934 > 29 33 Tm 0.42243021548116 0.06250000000000 0.89171802650150 168.934 > 33 34 Tm 0.42243021548116 0.31250000000000 0.89171802650150 168.934 > 33 35 Tm 0.42243021548116 0.56250000000000 0.89171802650150 168.934 > 33 36 Tm 0.42243021548116 0.81250000000000 0.89171802650150 168.934 > 33 37 Tm 0.42667765119813 0.06250000000000 0.38966818274640 168.934 > 37 38 Tm 0.42667765119813 0.31250000000000 0.38966818274640 168.934 > 37 39 Tm 0.42667765119813 0.56250000000000 0.38966818274640 168.934 > 37 40 Tm 0.42667765119813 0.81250000000000 0.38966818274640 168.934 > 37 41 Tm 0.07332234880188 0.18750000000000 0.88966818274640 168.934 > 41 42 Tm 0.07332234880188 0.43750000000000 0.88966818274640 168.934 > 41 43 Tm 0.07332234880188 0.68750000000000 0.88966818274640 168.934 > 41 44 Tm 0.07332234880188 0.93750000000000 0.88966818274640 168.934 > 41 45 Tm 0.07756978451884 0.18750000000000 0.39171802650150 168.934 > 45 46 Tm 0.07756978451884 0.43750000000000 0.39171802650150 168.934 > 45 47 Tm 0.07756978451884 0.68750000000000 0.39171802650150 168.934 > 45 48 Tm 0.07756978451884 0.93750000000000 0.39171802650150 168.934 > 45 49 O 0.98134199987777 0.18750000000000 0.71743520240604 15.999 > 49 50 O 0.98134199987777 0.43750000000000 0.71743520240604 15.999 > 49 51 O 0.98134199987777 0.68750000000000 0.71743520240604 15.999 > 49 52 O 0.98134199987777 0.93750000000000 0.71743520240604 15.999 > 49 53 O 0.93132778174010 0.06250000000000 0.92583155480657 15.999 > 53 54 O 0.93132778174010 0.31250000000000 0.92583155480657 15.999 > 53 55 O 0.93132778174010 0.56250000000000 0.92583155480657 15.999 > 53 56 O 0.93132778174010 0.81250000000000 0.92583155480657 15.999 > 53 57 O 0.88625275571529 0.18750000000000 0.48281868432057 15.999 > 57 58 O 0.88625275571529 0.43750000000000 0.48281868432057 15.999 > 57 59 O 0.88625275571529 0.68750000000000 0.48281868432057 15.999 > 57 60 O 0.88625275571529 0.93750000000000 0.48281868432057 15.999 > 57 61 O 0.79027003804165 0.18750000000000 0.15553758722510 15.999 > 61 62 O 0.79027003804165 0.43750000000000 0.15553758722510 15.999 > 61 63 O 0.79027003804165 0.68750000000000 0.15553758722510 15.999 > 61 64 O 0.79027003804165 0.93750000000000 0.15553758722510 15.999 > 61 65 O 0.70972996195835 0.06250000000000 0.65553758722510 15.999 > 65 66 O 0.70972996195835 0.31250000000000 0.65553758722510 15.999 > 65 67 O 0.70972996195835 0.56250000000000 0.65553758722510 15.999 > 65 68 O 0.70972996195835 0.81250000000000 0.65553758722510 15.999 > 65 69 O 0.61374724428471 0.06250000000000 0.98281868432057 15.999 > 69 70 O 0.61374724428471 0.31250000000000 0.98281868432057 15.999 > 69 71 O 0.61374724428471 0.56250000000000 0.98281868432057 15.999 > 69 72 O 0.61374724428471 0.81250000000000 0.98281868432057 15.999 > 69 73 O 0.56867221825990 0.18750000000000 0.42583155480657 15.999 > 73 74 O 0.56867221825990 0.43750000000000 0.42583155480657 15.999 > 73 75 O 0.56867221825990 0.68750000000000 0.42583155480657 15.999 > 73 76 O 0.56867221825990 0.93750000000000 0.42583155480657 15.999 > 73 77 O 0.51865800012223 0.06250000000000 0.21743520240604 15.999 > 77 78 O 0.51865800012223 0.31250000000000 0.21743520240604 15.999 > 77 79 O 0.51865800012223 0.56250000000000 0.21743520240604 15.999 > 77 80 O 0.51865800012223 0.81250000000000 0.21743520240604 15.999 > 77 81 O 0.48134199987777 0.18750000000000 0.78256479759396 15.999 > 81 82 O 0.48134199987777 0.43750000000000 0.78256479759396 15.999 > 81 83 O 0.48134199987777 0.68750000000000 0.78256479759396 15.999 > 81 84 O 0.48134199987777 0.93750000000000 0.78256479759396 15.999 > 81 85 O 0.43132778174010 0.06250000000000 0.57416844519343 15.999 > 85 86 O 0.43132778174010 0.31250000000000 0.57416844519343 15.999 > 85 87 O 0.43132778174010 0.56250000000000 0.57416844519343 15.999 > 85 88 O 0.43132778174010 0.81250000000000 0.57416844519343 15.999 > 85 89 O 0.38625275571529 0.18750000000000 0.01718131567943 15.999 > 89 90 O 0.38625275571529 0.43750000000000 0.01718131567943 15.999 > 89 91 O 0.38625275571529 0.68750000000000 0.01718131567943 15.999 > 89 92 O 0.38625275571529 0.93750000000000 0.01718131567943 15.999 > 89 93 O 0.29027003804165 0.18750000000000 0.34446241277490 15.999 > 93 94 O 0.29027003804165 0.43750000000000 0.34446241277490 15.999 > 93 95 O 0.29027003804165 0.68750000000000 0.34446241277490 15.999 > 93 96 O 0.29027003804165 0.93750000000000 0.34446241277490 15.999 > 93 97 O 0.20972996195835 0.06250000000000 0.84446241277490 15.999 > 97 98 O 0.20972996195835 0.31250000000000 0.84446241277490 15.999 > 97 99 O 0.20972996195835 0.56250000000000 0.84446241277490 15.999 > 97 100 O 0.20972996195835 0.81250000000000 0.84446241277490 15.999 > 97 101 O 0.11374724428471 0.06250000000000 0.51718131567943 15.999 > 101 102 O 0.11374724428471 0.31250000000000 0.51718131567943 15.999 > 101 103 O 0.11374724428471 0.56250000000000 0.51718131567943 15.999 > 101 104 O 0.11374724428471 0.81250000000000 0.51718131567943 15.999 > 101 105 O 0.06867221825990 0.18750000000000 0.07416844519343 15.999 > 105 106 O 0.06867221825990 0.43750000000000 0.07416844519343 15.999 > 105 107 O 0.06867221825990 0.68750000000000 0.07416844519343 15.999 > 105 108 O 0.06867221825990 0.93750000000000 0.07416844519343 15.999 > 105 109 O 0.01865800012223 0.06250000000000 0.28256479759396 15.999 > 109 110 O 0.01865800012223 0.31250000000000 0.28256479759396 15.999 > 109 111 O 0.01865800012223 0.56250000000000 0.28256479759396 15.999 > 109 112 O 0.01865800012223 0.81250000000000 0.28256479759396 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3383363 0.0000000 0.0000000 0.0000000 4.4611146 0.0000000 0.0000000 0.0000000 4.3396683 -------------------------- Born effective charges -------------------------- 1 Ba 2.9089549 0.0000000 0.1043263 0.0000000 2.5169058 0.0000000 0.0931031 0.0000000 2.5895759 2 Ba 2.9089549 0.0000000 -0.1043263 0.0000000 2.5169058 0.0000000 -0.0931031 0.0000000 2.5895759 3 Ba 2.9089549 0.0000000 -0.1043263 0.0000000 2.5169058 0.0000000 -0.0931031 0.0000000 2.5895759 4 Ba 2.9089549 0.0000000 0.1043263 0.0000000 2.5169058 0.0000000 0.0931031 0.0000000 2.5895759 5 Tm 3.5628095 0.0000000 -0.2152143 0.0000000 4.1298481 0.0000000 -0.1527735 0.0000000 3.5564372 6 Tm 3.5083951 0.0000000 -0.1382414 0.0000000 4.0056985 0.0000000 -0.1533717 0.0000000 3.9155714 7 Tm 3.5083951 0.0000000 0.1382414 0.0000000 4.0056985 0.0000000 0.1533717 0.0000000 3.9155714 8 Tm 3.5628095 0.0000000 0.2152143 0.0000000 4.1298481 0.0000000 0.1527735 0.0000000 3.5564372 9 Tm 3.5628095 0.0000000 0.2152143 0.0000000 4.1298481 0.0000000 0.1527735 0.0000000 3.5564372 10 Tm 3.5083951 0.0000000 0.1382414 0.0000000 4.0056985 0.0000000 0.1533717 0.0000000 3.9155714 11 Tm 3.5083951 0.0000000 -0.1382414 0.0000000 4.0056985 0.0000000 -0.1533717 0.0000000 3.9155714 12 Tm 3.5628095 0.0000000 -0.2152143 0.0000000 4.1298481 0.0000000 -0.1527735 0.0000000 3.5564372 13 O -2.1786112 0.0000000 -0.2599063 0.0000000 -2.4776072 0.0000000 -0.3848814 0.0000000 -2.9671007 14 O -2.4938218 0.0000000 -0.1540399 0.0000000 -2.7513963 0.0000000 0.0236818 0.0000000 -2.4862573 15 O -2.3976798 0.0000000 -0.1054117 0.0000000 -2.7417647 0.0000000 -0.1272295 0.0000000 -2.5310041 16 O -2.9100467 0.0000000 0.0910797 0.0000000 -2.6816843 0.0000000 0.0763859 0.0000000 -2.0772224 17 O -2.9100467 0.0000000 -0.0910797 0.0000000 -2.6816843 0.0000000 -0.0763859 0.0000000 -2.0772224 18 O -2.3976798 0.0000000 0.1054117 0.0000000 -2.7417647 0.0000000 0.1272295 0.0000000 -2.5310041 19 O -2.4938218 0.0000000 0.1540399 0.0000000 -2.7513963 0.0000000 -0.0236818 0.0000000 -2.4862573 20 O -2.1786112 0.0000000 0.2599063 0.0000000 -2.4776072 0.0000000 0.3848814 0.0000000 -2.9671007 21 O -2.1786112 0.0000000 0.2599063 0.0000000 -2.4776072 0.0000000 0.3848814 0.0000000 -2.9671007 22 O -2.4938218 0.0000000 0.1540399 0.0000000 -2.7513963 0.0000000 -0.0236818 0.0000000 -2.4862573 23 O -2.3976798 0.0000000 0.1054117 0.0000000 -2.7417647 0.0000000 0.1272295 0.0000000 -2.5310041 24 O -2.9100467 0.0000000 -0.0910797 0.0000000 -2.6816843 0.0000000 -0.0763859 0.0000000 -2.0772224 25 O -2.9100467 0.0000000 0.0910797 0.0000000 -2.6816843 0.0000000 0.0763859 0.0000000 -2.0772224 26 O -2.3976798 0.0000000 -0.1054117 0.0000000 -2.7417647 0.0000000 -0.1272295 0.0000000 -2.5310041 27 O -2.4938218 0.0000000 -0.1540399 0.0000000 -2.7513963 0.0000000 0.0236818 0.0000000 -2.4862573 28 O -2.1786112 0.0000000 -0.2599063 0.0000000 -2.4776072 0.0000000 -0.3848814 0.0000000 -2.9671007 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] Computing fc3[ 57, 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[ 61, 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: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (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 23:28:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:28:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.259890609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.384246249999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.895894249999998 Atomic positions (fractional): 1 Ba 0.75308913937851 0.25000000000000 0.34988844983568 137.327 2 Ba 0.74691086062149 0.75000000000000 0.84988844983568 137.327 3 Ba 0.25308913937851 0.25000000000000 0.15011155016432 137.327 4 Ba 0.24691086062149 0.75000000000000 0.65011155016432 137.327 5 Tm 0.92243021548116 0.25000000000000 0.60828197349850 168.934 6 Tm 0.92667765119812 0.25000000000000 0.11033181725360 168.934 7 Tm 0.57332234880188 0.75000000000000 0.61033181725360 168.934 8 Tm 0.57756978451884 0.75000000000000 0.10828197349850 168.934 9 Tm 0.42243021548116 0.25000000000000 0.89171802650150 168.934 10 Tm 0.42667765119813 0.25000000000000 0.38966818274640 168.934 11 Tm 0.07332234880188 0.75000000000000 0.88966818274640 168.934 12 Tm 0.07756978451884 0.75000000000000 0.39171802650150 168.934 13 O 0.98134199987777 0.75000000000000 0.71743520240604 15.999 14 O 0.93132778174010 0.25000000000000 0.92583155480657 15.999 15 O 0.88625275571529 0.75000000000000 0.48281868432057 15.999 16 O 0.79027003804165 0.75000000000000 0.15553758722510 15.999 17 O 0.70972996195835 0.25000000000000 0.65553758722510 15.999 18 O 0.61374724428471 0.25000000000000 0.98281868432057 15.999 19 O 0.56867221825990 0.75000000000000 0.42583155480657 15.999 20 O 0.51865800012223 0.25000000000000 0.21743520240604 15.999 21 O 0.48134199987777 0.75000000000000 0.78256479759396 15.999 22 O 0.43132778174010 0.25000000000000 0.57416844519343 15.999 23 O 0.38625275571529 0.75000000000000 0.01718131567943 15.999 24 O 0.29027003804165 0.75000000000000 0.34446241277490 15.999 25 O 0.20972996195835 0.25000000000000 0.84446241277490 15.999 26 O 0.11374724428471 0.25000000000000 0.51718131567943 15.999 27 O 0.06867221825990 0.75000000000000 0.07416844519343 15.999 28 O 0.01865800012223 0.25000000000000 0.28256479759396 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.259890609999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.536984999999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.895894249999998 Atomic positions (fractional): 1 Ba 0.75308913937851 0.06250000000000 0.34988844983568 137.327 > 1 2 Ba 0.75308913937851 0.31250000000000 0.34988844983568 137.327 > 1 3 Ba 0.75308913937851 0.56250000000000 0.34988844983568 137.327 > 1 4 Ba 0.75308913937851 0.81250000000000 0.34988844983568 137.327 > 1 5 Ba 0.74691086062149 0.18750000000000 0.84988844983568 137.327 > 5 6 Ba 0.74691086062149 0.43750000000000 0.84988844983568 137.327 > 5 7 Ba 0.74691086062149 0.68750000000000 0.84988844983568 137.327 > 5 8 Ba 0.74691086062149 0.93750000000000 0.84988844983568 137.327 > 5 9 Ba 0.25308913937851 0.06250000000000 0.15011155016432 137.327 > 9 10 Ba 0.25308913937851 0.31250000000000 0.15011155016432 137.327 > 9 11 Ba 0.25308913937851 0.56250000000000 0.15011155016432 137.327 > 9 12 Ba 0.25308913937851 0.81250000000000 0.15011155016432 137.327 > 9 13 Ba 0.24691086062149 0.18750000000000 0.65011155016432 137.327 > 13 14 Ba 0.24691086062149 0.43750000000000 0.65011155016432 137.327 > 13 15 Ba 0.24691086062149 0.68750000000000 0.65011155016432 137.327 > 13 16 Ba 0.24691086062149 0.93750000000000 0.65011155016432 137.327 > 13 17 Tm 0.92243021548116 0.06250000000000 0.60828197349850 168.934 > 17 18 Tm 0.92243021548116 0.31250000000000 0.60828197349850 168.934 > 17 19 Tm 0.92243021548116 0.56250000000000 0.60828197349850 168.934 > 17 20 Tm 0.92243021548116 0.81250000000000 0.60828197349850 168.934 > 17 21 Tm 0.92667765119812 0.06250000000000 0.11033181725360 168.934 > 21 22 Tm 0.92667765119812 0.31250000000000 0.11033181725360 168.934 > 21 23 Tm 0.92667765119812 0.56250000000000 0.11033181725360 168.934 > 21 24 Tm 0.92667765119812 0.81250000000000 0.11033181725360 168.934 > 21 25 Tm 0.57332234880188 0.18750000000000 0.61033181725360 168.934 > 25 26 Tm 0.57332234880188 0.43750000000000 0.61033181725360 168.934 > 25 27 Tm 0.57332234880188 0.68750000000000 0.61033181725360 168.934 > 25 28 Tm 0.57332234880188 0.93750000000000 0.61033181725360 168.934 > 25 29 Tm 0.57756978451884 0.18750000000000 0.10828197349850 168.934 > 29 30 Tm 0.57756978451884 0.43750000000000 0.10828197349850 168.934 > 29 31 Tm 0.57756978451884 0.68750000000000 0.10828197349850 168.934 > 29 32 Tm 0.57756978451884 0.93750000000000 0.10828197349850 168.934 > 29 33 Tm 0.42243021548116 0.06250000000000 0.89171802650150 168.934 > 33 34 Tm 0.42243021548116 0.31250000000000 0.89171802650150 168.934 > 33 35 Tm 0.42243021548116 0.56250000000000 0.89171802650150 168.934 > 33 36 Tm 0.42243021548116 0.81250000000000 0.89171802650150 168.934 > 33 37 Tm 0.42667765119813 0.06250000000000 0.38966818274640 168.934 > 37 38 Tm 0.42667765119813 0.31250000000000 0.38966818274640 168.934 > 37 39 Tm 0.42667765119813 0.56250000000000 0.38966818274640 168.934 > 37 40 Tm 0.42667765119813 0.81250000000000 0.38966818274640 168.934 > 37 41 Tm 0.07332234880188 0.18750000000000 0.88966818274640 168.934 > 41 42 Tm 0.07332234880188 0.43750000000000 0.88966818274640 168.934 > 41 43 Tm 0.07332234880188 0.68750000000000 0.88966818274640 168.934 > 41 44 Tm 0.07332234880188 0.93750000000000 0.88966818274640 168.934 > 41 45 Tm 0.07756978451884 0.18750000000000 0.39171802650150 168.934 > 45 46 Tm 0.07756978451884 0.43750000000000 0.39171802650150 168.934 > 45 47 Tm 0.07756978451884 0.68750000000000 0.39171802650150 168.934 > 45 48 Tm 0.07756978451884 0.93750000000000 0.39171802650150 168.934 > 45 49 O 0.98134199987777 0.18750000000000 0.71743520240604 15.999 > 49 50 O 0.98134199987777 0.43750000000000 0.71743520240604 15.999 > 49 51 O 0.98134199987777 0.68750000000000 0.71743520240604 15.999 > 49 52 O 0.98134199987777 0.93750000000000 0.71743520240604 15.999 > 49 53 O 0.93132778174010 0.06250000000000 0.92583155480657 15.999 > 53 54 O 0.93132778174010 0.31250000000000 0.92583155480657 15.999 > 53 55 O 0.93132778174010 0.56250000000000 0.92583155480657 15.999 > 53 56 O 0.93132778174010 0.81250000000000 0.92583155480657 15.999 > 53 57 O 0.88625275571529 0.18750000000000 0.48281868432057 15.999 > 57 58 O 0.88625275571529 0.43750000000000 0.48281868432057 15.999 > 57 59 O 0.88625275571529 0.68750000000000 0.48281868432057 15.999 > 57 60 O 0.88625275571529 0.93750000000000 0.48281868432057 15.999 > 57 61 O 0.79027003804165 0.18750000000000 0.15553758722510 15.999 > 61 62 O 0.79027003804165 0.43750000000000 0.15553758722510 15.999 > 61 63 O 0.79027003804165 0.68750000000000 0.15553758722510 15.999 > 61 64 O 0.79027003804165 0.93750000000000 0.15553758722510 15.999 > 61 65 O 0.70972996195835 0.06250000000000 0.65553758722510 15.999 > 65 66 O 0.70972996195835 0.31250000000000 0.65553758722510 15.999 > 65 67 O 0.70972996195835 0.56250000000000 0.65553758722510 15.999 > 65 68 O 0.70972996195835 0.81250000000000 0.65553758722510 15.999 > 65 69 O 0.61374724428471 0.06250000000000 0.98281868432057 15.999 > 69 70 O 0.61374724428471 0.31250000000000 0.98281868432057 15.999 > 69 71 O 0.61374724428471 0.56250000000000 0.98281868432057 15.999 > 69 72 O 0.61374724428471 0.81250000000000 0.98281868432057 15.999 > 69 73 O 0.56867221825990 0.18750000000000 0.42583155480657 15.999 > 73 74 O 0.56867221825990 0.43750000000000 0.42583155480657 15.999 > 73 75 O 0.56867221825990 0.68750000000000 0.42583155480657 15.999 > 73 76 O 0.56867221825990 0.93750000000000 0.42583155480657 15.999 > 73 77 O 0.51865800012223 0.06250000000000 0.21743520240604 15.999 > 77 78 O 0.51865800012223 0.31250000000000 0.21743520240604 15.999 > 77 79 O 0.51865800012223 0.56250000000000 0.21743520240604 15.999 > 77 80 O 0.51865800012223 0.81250000000000 0.21743520240604 15.999 > 77 81 O 0.48134199987777 0.18750000000000 0.78256479759396 15.999 > 81 82 O 0.48134199987777 0.43750000000000 0.78256479759396 15.999 > 81 83 O 0.48134199987777 0.68750000000000 0.78256479759396 15.999 > 81 84 O 0.48134199987777 0.93750000000000 0.78256479759396 15.999 > 81 85 O 0.43132778174010 0.06250000000000 0.57416844519343 15.999 > 85 86 O 0.43132778174010 0.31250000000000 0.57416844519343 15.999 > 85 87 O 0.43132778174010 0.56250000000000 0.57416844519343 15.999 > 85 88 O 0.43132778174010 0.81250000000000 0.57416844519343 15.999 > 85 89 O 0.38625275571529 0.18750000000000 0.01718131567943 15.999 > 89 90 O 0.38625275571529 0.43750000000000 0.01718131567943 15.999 > 89 91 O 0.38625275571529 0.68750000000000 0.01718131567943 15.999 > 89 92 O 0.38625275571529 0.93750000000000 0.01718131567943 15.999 > 89 93 O 0.29027003804165 0.18750000000000 0.34446241277490 15.999 > 93 94 O 0.29027003804165 0.43750000000000 0.34446241277490 15.999 > 93 95 O 0.29027003804165 0.68750000000000 0.34446241277490 15.999 > 93 96 O 0.29027003804165 0.93750000000000 0.34446241277490 15.999 > 93 97 O 0.20972996195835 0.06250000000000 0.84446241277490 15.999 > 97 98 O 0.20972996195835 0.31250000000000 0.84446241277490 15.999 > 97 99 O 0.20972996195835 0.56250000000000 0.84446241277490 15.999 > 97 100 O 0.20972996195835 0.81250000000000 0.84446241277490 15.999 > 97 101 O 0.11374724428471 0.06250000000000 0.51718131567943 15.999 > 101 102 O 0.11374724428471 0.31250000000000 0.51718131567943 15.999 > 101 103 O 0.11374724428471 0.56250000000000 0.51718131567943 15.999 > 101 104 O 0.11374724428471 0.81250000000000 0.51718131567943 15.999 > 101 105 O 0.06867221825990 0.18750000000000 0.07416844519343 15.999 > 105 106 O 0.06867221825990 0.43750000000000 0.07416844519343 15.999 > 105 107 O 0.06867221825990 0.68750000000000 0.07416844519343 15.999 > 105 108 O 0.06867221825990 0.93750000000000 0.07416844519343 15.999 > 105 109 O 0.01865800012223 0.06250000000000 0.28256479759396 15.999 > 109 110 O 0.01865800012223 0.31250000000000 0.28256479759396 15.999 > 109 111 O 0.01865800012223 0.56250000000000 0.28256479759396 15.999 > 109 112 O 0.01865800012223 0.81250000000000 0.28256479759396 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3383363 0.0000000 0.0000000 0.0000000 4.4611146 0.0000000 0.0000000 0.0000000 4.3396683 -------------------------- Born effective charges -------------------------- 1 Ba 2.9089549 0.0000000 0.1043263 0.0000000 2.5169058 0.0000000 0.0931031 0.0000000 2.5895759 2 Ba 2.9089549 0.0000000 -0.1043263 0.0000000 2.5169058 0.0000000 -0.0931031 0.0000000 2.5895759 3 Ba 2.9089549 0.0000000 -0.1043263 0.0000000 2.5169058 0.0000000 -0.0931031 0.0000000 2.5895759 4 Ba 2.9089549 0.0000000 0.1043263 0.0000000 2.5169058 0.0000000 0.0931031 0.0000000 2.5895759 5 Tm 3.5628095 0.0000000 -0.2152143 0.0000000 4.1298481 0.0000000 -0.1527735 0.0000000 3.5564372 6 Tm 3.5083951 0.0000000 -0.1382414 0.0000000 4.0056985 0.0000000 -0.1533717 0.0000000 3.9155714 7 Tm 3.5083951 0.0000000 0.1382414 0.0000000 4.0056985 0.0000000 0.1533717 0.0000000 3.9155714 8 Tm 3.5628095 0.0000000 0.2152143 0.0000000 4.1298481 0.0000000 0.1527735 0.0000000 3.5564372 9 Tm 3.5628095 0.0000000 0.2152143 0.0000000 4.1298481 0.0000000 0.1527735 0.0000000 3.5564372 10 Tm 3.5083951 0.0000000 0.1382414 0.0000000 4.0056985 0.0000000 0.1533717 0.0000000 3.9155714 11 Tm 3.5083951 0.0000000 -0.1382414 0.0000000 4.0056985 0.0000000 -0.1533717 0.0000000 3.9155714 12 Tm 3.5628095 0.0000000 -0.2152143 0.0000000 4.1298481 0.0000000 -0.1527735 0.0000000 3.5564372 13 O -2.1786112 0.0000000 -0.2599063 0.0000000 -2.4776072 0.0000000 -0.3848814 0.0000000 -2.9671007 14 O -2.4938218 0.0000000 -0.1540399 0.0000000 -2.7513963 0.0000000 0.0236818 0.0000000 -2.4862573 15 O -2.3976798 0.0000000 -0.1054117 0.0000000 -2.7417647 0.0000000 -0.1272295 0.0000000 -2.5310041 16 O -2.9100467 0.0000000 0.0910797 0.0000000 -2.6816843 0.0000000 0.0763859 0.0000000 -2.0772224 17 O -2.9100467 0.0000000 -0.0910797 0.0000000 -2.6816843 0.0000000 -0.0763859 0.0000000 -2.0772224 18 O -2.3976798 0.0000000 0.1054117 0.0000000 -2.7417647 0.0000000 0.1272295 0.0000000 -2.5310041 19 O -2.4938218 0.0000000 0.1540399 0.0000000 -2.7513963 0.0000000 -0.0236818 0.0000000 -2.4862573 20 O -2.1786112 0.0000000 0.2599063 0.0000000 -2.4776072 0.0000000 0.3848814 0.0000000 -2.9671007 21 O -2.1786112 0.0000000 0.2599063 0.0000000 -2.4776072 0.0000000 0.3848814 0.0000000 -2.9671007 22 O -2.4938218 0.0000000 0.1540399 0.0000000 -2.7513963 0.0000000 -0.0236818 0.0000000 -2.4862573 23 O -2.3976798 0.0000000 0.1054117 0.0000000 -2.7417647 0.0000000 0.1272295 0.0000000 -2.5310041 24 O -2.9100467 0.0000000 -0.0910797 0.0000000 -2.6816843 0.0000000 -0.0763859 0.0000000 -2.0772224 25 O -2.9100467 0.0000000 0.0910797 0.0000000 -2.6816843 0.0000000 0.0763859 0.0000000 -2.0772224 26 O -2.3976798 0.0000000 -0.1054117 0.0000000 -2.7417647 0.0000000 -0.1272295 0.0000000 -2.5310041 27 O -2.4938218 0.0000000 -0.1540399 0.0000000 -2.7513963 0.0000000 0.0236818 0.0000000 -2.4862573 28 O -2.1786112 0.0000000 -0.2599063 0.0000000 -2.4776072 0.0000000 -0.3848814 0.0000000 -2.9671007 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 15 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 1.560 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.074 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 2.534 ( 0.000 0.000 0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.735 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 5.030 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.299 ( 0.000 0.000 0.000) 0.000 5.406 ( 0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 6.737 ( 0.000 0.000 0.000) 0.000 6.759 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 8.113 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 8.501 ( 0.000 0.000 0.000) 0.000 8.679 ( 0.000 0.000 0.000) 0.000 8.779 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 9.005 ( 0.000 0.000 0.000) 0.000 9.031 ( 0.000 0.000 0.000) 0.000 9.666 ( 0.000 0.000 0.000) 0.000 9.872 ( 0.000 0.000 0.000) 0.000 9.986 ( 0.000 0.000 0.000) 0.000 9.999 ( 0.000 0.000 0.000) 0.000 10.048 ( 0.000 0.000 0.000) 0.000 10.092 ( 0.000 0.000 0.000) 0.000 10.521 ( 0.000 0.000 0.000) 0.000 10.524 ( 0.000 0.000 0.000) 0.000 10.820 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.429 ( 0.000 0.000 0.000) 0.000 11.486 ( 0.000 0.000 0.000) 0.000 11.537 ( 0.000 0.000 0.000) 0.000 11.569 ( 0.000 0.000 0.000) 0.000 11.572 ( 0.000 0.000 0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000 11.851 ( 0.000 0.000 0.000) 0.000 11.907 ( 0.000 0.000 0.000) 0.000 12.506 ( 0.000 0.000 0.000) 0.000 12.664 ( 0.000 0.000 0.000) 0.000 12.992 ( 0.000 0.000 0.000) 0.000 13.152 ( 0.000 0.000 0.000) 0.000 13.792 ( 0.000 0.000 0.000) 0.000 14.102 ( 0.000 0.000 0.000) 0.000 14.458 ( 0.000 0.000 0.000) 0.000 14.671 ( 0.000 0.000 0.000) 0.000 16.173 ( 0.000 0.000 0.000) 0.000 16.179 ( 0.000 0.000 0.000) 0.000 16.247 ( 0.000 0.000 0.000) 0.000 17.042 ( 0.000 0.000 0.000) 0.000 17.047 ( 0.000 0.000 0.000) 0.000 17.101 ( 0.000 0.000 0.000) 0.000 17.230 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 26.401 0.000 0.000) 26.401 0.532 ( 27.137 0.000 0.000) 27.137 0.936 ( 47.470 0.000 0.000) 47.470 1.583 ( 0.908 0.000 0.000) 0.908 1.858 ( -10.785 0.000 0.000) 10.785 1.988 ( -16.122 0.000 0.000) 16.122 2.039 ( -5.287 0.000 0.000) 5.287 2.121 ( 4.360 0.000 0.000) 4.360 2.168 ( 2.318 0.000 0.000) 2.318 2.222 ( -0.720 0.000 0.000) 0.720 2.295 ( 6.685 0.000 0.000) 6.685 2.303 ( 1.960 0.000 0.000) 1.960 2.391 ( 1.479 0.000 0.000) 1.479 2.428 ( -0.625 0.000 0.000) 0.625 2.553 ( 1.673 0.000 0.000) 1.673 2.641 ( -0.574 0.000 0.000) 0.574 2.830 ( -4.029 0.000 0.000) 4.029 2.837 ( 2.123 0.000 0.000) 2.123 2.844 ( -1.687 0.000 0.000) 1.687 2.999 ( -1.657 0.000 0.000) 1.657 3.046 ( 11.570 0.000 0.000) 11.570 3.148 ( 7.513 0.000 0.000) 7.513 3.436 ( -1.713 0.000 0.000) 1.713 3.453 ( -23.257 0.000 0.000) 23.257 3.763 ( 10.279 0.000 0.000) 10.279 4.020 ( 10.900 0.000 0.000) 10.900 4.178 ( -10.248 0.000 0.000) 10.248 4.312 ( -19.026 0.000 0.000) 19.026 4.832 ( -16.639 0.000 0.000) 16.639 4.914 ( -10.525 0.000 0.000) 10.525 5.032 ( 10.083 0.000 0.000) 10.083 5.117 ( 4.270 0.000 0.000) 4.270 5.353 ( 2.460 0.000 0.000) 2.460 5.362 ( -1.149 0.000 0.000) 1.149 5.685 ( 9.020 0.000 0.000) 9.020 5.712 ( 6.482 0.000 0.000) 6.482 6.604 ( -7.189 0.000 0.000) 7.189 6.906 ( 9.933 0.000 0.000) 9.933 6.921 ( -20.722 0.000 0.000) 20.722 7.666 ( -9.963 0.000 0.000) 9.963 7.811 ( 3.044 0.000 0.000) 3.044 7.861 ( 20.913 0.000 0.000) 20.913 8.111 ( -0.323 0.000 0.000) 0.323 8.173 ( -6.071 0.000 0.000) 6.071 8.201 ( 3.151 0.000 0.000) 3.151 8.492 ( -0.094 0.000 0.000) 0.094 8.698 ( 0.152 0.000 0.000) 0.152 8.705 ( -6.558 0.000 0.000) 6.558 9.104 ( 7.090 0.000 0.000) 7.090 9.109 ( 6.511 0.000 0.000) 6.511 9.776 ( 9.917 0.000 0.000) 9.917 9.866 ( -0.500 0.000 0.000) 0.500 9.956 ( -0.387 0.000 0.000) 0.387 9.973 ( -2.625 0.000 0.000) 2.625 10.076 ( 2.404 0.000 0.000) 2.404 10.081 ( -0.557 0.000 0.000) 0.557 10.516 ( -0.400 0.000 0.000) 0.400 10.519 ( -0.453 0.000 0.000) 0.453 10.882 ( 5.529 0.000 0.000) 5.529 11.122 ( 6.858 0.000 0.000) 6.858 11.280 ( -7.740 0.000 0.000) 7.740 11.482 ( -0.260 0.000 0.000) 0.260 11.521 ( -1.286 0.000 0.000) 1.286 11.576 ( 0.495 0.000 0.000) 0.495 11.577 ( 0.427 0.000 0.000) 0.427 11.812 ( 12.309 0.000 0.000) 12.309 11.860 ( 0.869 0.000 0.000) 0.869 11.905 ( -0.261 0.000 0.000) 0.261 12.157 ( -5.354 0.000 0.000) 5.354 12.359 ( -13.234 0.000 0.000) 13.234 12.970 ( -1.827 0.000 0.000) 1.827 13.100 ( -4.614 0.000 0.000) 4.614 13.773 ( 3.927 0.000 0.000) 3.927 14.061 ( -3.829 0.000 0.000) 3.829 14.485 ( 2.517 0.000 0.000) 2.517 14.654 ( -1.719 0.000 0.000) 1.719 16.016 ( -0.462 0.000 0.000) 0.462 16.128 ( -3.390 0.000 0.000) 3.390 16.280 ( 1.882 0.000 0.000) 1.882 16.281 ( -0.445 0.000 0.000) 0.445 17.047 ( 0.342 0.000 0.000) 0.342 17.050 ( 0.541 0.000 0.000) 0.541 17.114 ( 1.285 0.000 0.000) 1.285 17.235 ( 0.037 0.000 0.000) 0.037 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 23.594 0.000 0.000) 23.594 1.055 ( 26.365 0.000 0.000) 26.365 1.427 ( -17.418 0.000 0.000) 17.418 1.549 ( -22.592 0.000 0.000) 22.592 1.791 ( 4.520 0.000 0.000) 4.520 1.850 ( 41.748 0.000 0.000) 41.748 1.915 ( -7.016 0.000 0.000) 7.016 2.203 ( 2.448 0.000 0.000) 2.448 2.225 ( 3.312 0.000 0.000) 3.312 2.234 ( 1.977 0.000 0.000) 1.977 2.288 ( -2.744 0.000 0.000) 2.744 2.418 ( 1.042 0.000 0.000) 1.042 2.427 ( 0.061 0.000 0.000) 0.061 2.506 ( 11.149 0.000 0.000) 11.149 2.590 ( 1.959 0.000 0.000) 1.959 2.623 ( -1.297 0.000 0.000) 1.297 2.647 ( -29.898 0.000 0.000) 29.898 2.693 ( -8.762 0.000 0.000) 8.762 2.891 ( 3.209 0.000 0.000) 3.209 2.953 ( -2.903 0.000 0.000) 2.903 2.992 ( -4.160 0.000 0.000) 4.160 3.059 ( -6.205 0.000 0.000) 6.205 3.476 ( 18.447 0.000 0.000) 18.447 3.612 ( 15.648 0.000 0.000) 15.648 3.889 ( -19.529 0.000 0.000) 19.529 3.933 ( -14.634 0.000 0.000) 14.634 4.030 ( 13.611 0.000 0.000) 13.611 4.241 ( 5.884 0.000 0.000) 5.884 4.492 ( -11.352 0.000 0.000) 11.352 4.643 ( -14.930 0.000 0.000) 14.930 5.182 ( 4.114 0.000 0.000) 4.114 5.197 ( 2.105 0.000 0.000) 2.105 5.367 ( 1.204 0.000 0.000) 1.204 5.381 ( 0.339 0.000 0.000) 0.339 5.814 ( 3.538 0.000 0.000) 3.538 5.815 ( 3.151 0.000 0.000) 3.151 6.516 ( -0.588 0.000 0.000) 0.588 6.611 ( -10.544 0.000 0.000) 10.544 7.141 ( 13.830 0.000 0.000) 13.830 7.422 ( -14.234 0.000 0.000) 14.234 7.899 ( 5.837 0.000 0.000) 5.837 8.032 ( -7.583 0.000 0.000) 7.583 8.082 ( 2.740 0.000 0.000) 2.740 8.102 ( -0.503 0.000 0.000) 0.503 8.387 ( 14.496 0.000 0.000) 14.496 8.515 ( 2.479 0.000 0.000) 2.479 8.588 ( -5.010 0.000 0.000) 5.010 8.623 ( -8.349 0.000 0.000) 8.349 9.218 ( 3.626 0.000 0.000) 3.626 9.220 ( 3.529 0.000 0.000) 3.529 9.865 ( 0.914 0.000 0.000) 0.914 9.909 ( -3.326 0.000 0.000) 3.326 9.931 ( 3.457 0.000 0.000) 3.457 9.953 ( -0.158 0.000 0.000) 0.158 10.106 ( 3.024 0.000 0.000) 3.024 10.123 ( 1.622 0.000 0.000) 1.622 10.509 ( -0.190 0.000 0.000) 0.190 10.510 ( -0.311 0.000 0.000) 0.311 10.996 ( 5.470 0.000 0.000) 5.470 11.098 ( -5.534 0.000 0.000) 5.534 11.427 ( 19.171 0.000 0.000) 19.171 11.481 ( 0.332 0.000 0.000) 0.332 11.496 ( -1.129 0.000 0.000) 1.129 11.583 ( 0.245 0.000 0.000) 0.245 11.584 ( 0.186 0.000 0.000) 0.186 11.867 ( -23.047 0.000 0.000) 23.047 11.880 ( 1.002 0.000 0.000) 1.002 11.896 ( -0.648 0.000 0.000) 0.648 12.026 ( 9.047 0.000 0.000) 9.047 12.166 ( -6.186 0.000 0.000) 6.186 12.951 ( 0.621 0.000 0.000) 0.621 13.004 ( -4.486 0.000 0.000) 4.486 13.864 ( 5.175 0.000 0.000) 5.175 13.968 ( -5.320 0.000 0.000) 5.320 14.545 ( 3.329 0.000 0.000) 3.329 14.607 ( -2.924 0.000 0.000) 2.924 16.019 ( 1.109 0.000 0.000) 1.109 16.062 ( -3.129 0.000 0.000) 3.129 16.283 ( 0.626 0.000 0.000) 0.626 16.296 ( -0.260 0.000 0.000) 0.260 17.060 ( 0.592 0.000 0.000) 0.592 17.061 ( 0.446 0.000 0.000) 0.446 17.154 ( 2.901 0.000 0.000) 2.901 17.213 ( -2.443 0.000 0.000) 2.443 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 0.000 26.828 0.000) 26.828 0.553 ( 0.000 27.770 0.000) 27.770 1.127 ( 0.000 56.011 0.000) 56.011 1.823 ( 0.000 23.733 0.000) 23.733 2.100 ( 0.000 2.625 0.000) 2.625 2.119 ( 0.000 0.876 0.000) 0.876 2.145 ( 0.000 2.603 0.000) 2.603 2.208 ( 0.000 18.820 0.000) 18.820 2.236 ( 0.000 11.040 0.000) 11.040 2.328 ( 0.000 17.813 0.000) 17.813 2.390 ( 0.000 12.313 0.000) 12.313 2.435 ( 0.000 5.774 0.000) 5.774 2.563 ( 0.000 15.487 0.000) 15.487 2.585 ( 0.000 13.750 0.000) 13.750 2.702 ( 0.000 15.103 0.000) 15.103 2.796 ( 0.000 14.224 0.000) 14.224 2.810 ( 0.000 -0.222 0.000) 0.222 2.820 ( 0.000 4.165 0.000) 4.165 2.829 ( 0.000 -0.093 0.000) 0.093 3.081 ( 0.000 1.778 0.000) 1.778 3.110 ( 0.000 16.521 0.000) 16.521 3.191 ( 0.000 17.065 0.000) 17.065 3.508 ( 0.000 -0.998 0.000) 0.998 3.694 ( 0.000 7.653 0.000) 7.653 3.765 ( 0.000 3.540 0.000) 3.540 3.921 ( 0.000 3.452 0.000) 3.452 4.275 ( 0.000 -2.304 0.000) 2.304 4.537 ( 0.000 -0.936 0.000) 0.936 4.710 ( 0.000 -2.465 0.000) 2.465 4.865 ( 0.000 -1.431 0.000) 1.431 5.006 ( 0.000 -2.358 0.000) 2.358 5.138 ( 0.000 -2.122 0.000) 2.122 5.273 ( 0.000 -2.543 0.000) 2.543 5.386 ( 0.000 -1.979 0.000) 1.979 5.501 ( 0.000 -3.833 0.000) 3.833 5.624 ( 0.000 -0.683 0.000) 0.683 6.723 ( 0.000 -1.127 0.000) 1.127 6.742 ( 0.000 -1.494 0.000) 1.494 7.251 ( 0.000 -2.027 0.000) 2.027 7.383 ( 0.000 -3.674 0.000) 3.674 7.523 ( 0.000 2.019 0.000) 2.019 8.132 ( 0.000 2.130 0.000) 2.130 8.151 ( 0.000 -2.624 0.000) 2.624 8.459 ( 0.000 7.812 0.000) 7.812 8.508 ( 0.000 12.087 0.000) 12.087 8.668 ( 0.000 -0.374 0.000) 0.374 8.720 ( 0.000 -1.842 0.000) 1.842 9.028 ( 0.000 17.977 0.000) 17.977 9.102 ( 0.000 9.721 0.000) 9.721 9.196 ( 0.000 14.779 0.000) 14.779 9.655 ( 0.000 -1.746 0.000) 1.746 9.927 ( 0.000 4.249 0.000) 4.249 9.993 ( 0.000 0.844 0.000) 0.844 10.049 ( 0.000 0.173 0.000) 0.173 10.166 ( 0.000 5.627 0.000) 5.627 10.200 ( 0.000 18.956 0.000) 18.956 10.437 ( 0.000 -3.143 0.000) 3.143 10.482 ( 0.000 -2.884 0.000) 2.884 10.797 ( 0.000 -0.420 0.000) 0.420 10.928 ( 0.000 -10.175 0.000) 10.175 11.388 ( 0.000 -17.348 0.000) 17.348 11.435 ( 0.000 0.492 0.000) 0.492 11.503 ( 0.000 3.705 0.000) 3.705 11.521 ( 0.000 -0.637 0.000) 0.637 11.615 ( 0.000 0.252 0.000) 0.252 11.779 ( 0.000 12.073 0.000) 12.073 11.790 ( 0.000 -0.863 0.000) 0.863 11.899 ( 0.000 -0.502 0.000) 0.502 12.496 ( 0.000 -0.989 0.000) 0.989 12.688 ( 0.000 1.957 0.000) 1.957 12.988 ( 0.000 -0.569 0.000) 0.569 13.135 ( 0.000 -1.745 0.000) 1.745 13.731 ( 0.000 -6.084 0.000) 6.084 14.095 ( 0.000 -1.376 0.000) 1.376 14.373 ( 0.000 -8.417 0.000) 8.417 14.558 ( 0.000 -10.960 0.000) 10.960 16.009 ( 0.000 1.851 0.000) 1.851 16.120 ( 0.000 -5.909 0.000) 5.909 16.131 ( 0.000 -4.052 0.000) 4.052 16.193 ( 0.000 -5.292 0.000) 5.292 16.975 ( 0.000 -7.086 0.000) 7.086 16.980 ( 0.000 -6.122 0.000) 6.122 17.022 ( 0.000 -7.814 0.000) 7.814 17.155 ( 0.000 -7.343 0.000) 7.343 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 18.122 19.386 0.000) 26.537 0.828 ( 22.502 18.467 0.000) 29.110 1.405 ( 26.346 42.410 0.000) 49.927 1.834 ( -0.482 22.403 0.000) 22.408 2.021 ( -14.330 4.021 0.000) 14.883 2.048 ( -10.056 16.635 0.000) 19.438 2.158 ( 4.642 4.019 0.000) 6.140 2.183 ( -1.878 6.502 0.000) 6.768 2.235 ( 0.009 9.428 0.000) 9.428 2.291 ( 5.403 6.377 0.000) 8.358 2.368 ( 0.461 12.410 0.000) 12.419 2.467 ( 3.064 15.497 0.000) 15.797 2.562 ( -1.471 12.316 0.000) 12.404 2.570 ( 0.579 15.315 0.000) 15.326 2.689 ( -1.251 10.811 0.000) 10.883 2.792 ( -0.553 14.463 0.000) 14.473 2.820 ( -0.328 6.932 0.000) 6.940 2.836 ( 1.298 0.241 0.000) 1.320 3.049 ( 12.268 0.644 0.000) 12.284 3.063 ( -1.677 14.205 0.000) 14.304 3.176 ( -1.372 16.885 0.000) 16.941 3.181 ( 8.243 4.797 0.000) 9.538 3.436 ( -2.196 0.185 0.000) 2.204 3.500 ( -22.546 5.665 0.000) 23.247 3.813 ( 9.753 5.634 0.000) 11.263 4.045 ( 10.356 2.790 0.000) 10.726 4.158 ( -10.020 -1.896 0.000) 10.198 4.287 ( -18.419 -1.833 0.000) 18.510 4.824 ( -15.854 -0.778 0.000) 15.873 4.837 ( -1.721 -3.925 0.000) 4.286 4.999 ( 9.281 -3.010 0.000) 9.757 5.051 ( 0.155 -3.937 0.000) 3.940 5.328 ( 2.340 -2.498 0.000) 3.423 5.332 ( -1.329 -2.889 0.000) 3.180 5.650 ( 9.034 -3.413 0.000) 9.657 5.696 ( 5.817 -1.586 0.000) 6.030 6.599 ( -6.384 -0.229 0.000) 6.388 6.881 ( 9.131 -2.016 0.000) 9.351 6.910 ( -18.623 0.047 0.000) 18.623 7.446 ( -2.306 -3.783 0.000) 4.430 7.816 ( 20.332 -3.753 0.000) 20.676 8.120 ( -1.350 1.982 0.000) 2.398 8.125 ( -1.975 -1.133 0.000) 2.277 8.439 ( -4.403 21.886 0.000) 22.325 8.472 ( 0.271 -2.832 0.000) 2.845 8.540 ( -10.569 20.018 0.000) 22.637 8.739 ( 3.451 4.172 0.000) 5.414 8.877 ( -8.936 16.838 0.000) 19.062 9.222 ( 3.754 11.301 0.000) 11.908 9.225 ( 8.099 11.107 0.000) 13.746 9.774 ( 10.608 -0.414 0.000) 10.616 9.920 ( -0.555 3.890 0.000) 3.930 9.956 ( -0.674 0.614 0.000) 0.912 10.085 ( 1.205 2.058 0.000) 2.384 10.136 ( -2.268 4.358 0.000) 4.912 10.138 ( -4.672 15.348 0.000) 16.043 10.451 ( 1.517 -2.426 0.000) 2.862 10.518 ( 1.996 -0.302 0.000) 2.019 10.853 ( 4.726 -2.641 0.000) 5.413 11.028 ( 7.358 -8.611 0.000) 11.327 11.349 ( -4.226 5.621 0.000) 7.033 11.391 ( 0.335 -15.210 0.000) 15.213 11.492 ( -2.748 -1.236 0.000) 3.013 11.541 ( 2.728 2.244 0.000) 3.532 11.596 ( -0.125 -0.381 0.000) 0.401 11.768 ( -0.568 -4.140 0.000) 4.179 11.824 ( -5.082 -1.966 0.000) 5.449 11.922 ( 8.578 7.902 0.000) 11.663 12.328 ( -17.002 5.994 0.000) 18.028 12.401 ( -14.005 4.672 0.000) 14.764 12.981 ( -0.390 0.882 0.000) 0.965 13.111 ( -3.008 0.249 0.000) 3.018 13.737 ( 2.387 -4.754 0.000) 5.320 14.033 ( -5.391 -3.550 0.000) 6.455 14.415 ( 3.388 -6.961 0.000) 7.741 14.551 ( -0.724 -10.050 0.000) 10.076 16.000 ( -0.744 -1.311 0.000) 1.508 16.094 ( -2.857 -3.327 0.000) 4.386 16.192 ( 3.306 -6.609 0.000) 7.390 16.223 ( 1.771 -5.634 0.000) 5.906 16.974 ( 0.246 -7.239 0.000) 7.243 16.982 ( 0.281 -6.544 0.000) 6.550 17.039 ( 1.628 -7.374 0.000) 7.552 17.162 ( 0.198 -7.139 0.000) 7.142 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 22.687 11.039 0.000) 25.230 1.264 ( 21.410 18.286 0.000) 28.156 1.612 ( -21.772 6.558 0.000) 22.738 1.647 ( -17.135 18.374 0.000) 25.124 2.006 ( 4.408 19.542 0.000) 20.033 2.055 ( 34.206 21.525 0.000) 40.414 2.113 ( -5.389 17.607 0.000) 18.413 2.249 ( 3.078 4.513 0.000) 5.462 2.256 ( 1.707 3.642 0.000) 4.022 2.375 ( 4.580 13.065 0.000) 13.845 2.441 ( -4.828 13.735 0.000) 14.559 2.528 ( 9.966 3.515 0.000) 10.568 2.550 ( -0.551 11.613 0.000) 11.627 2.576 ( 1.430 13.915 0.000) 13.988 2.661 ( -8.585 4.921 0.000) 9.896 2.745 ( -3.691 8.610 0.000) 9.368 2.769 ( -1.923 13.777 0.000) 13.910 2.774 ( -14.569 12.124 0.000) 18.954 3.020 ( -3.202 5.230 0.000) 6.133 3.083 ( -5.181 3.583 0.000) 6.300 3.093 ( -1.945 17.702 0.000) 17.809 3.131 ( -3.106 16.517 0.000) 16.807 3.481 ( 17.898 0.700 0.000) 17.911 3.600 ( 15.461 -1.183 0.000) 15.506 3.884 ( -20.401 -0.513 0.000) 20.407 3.916 ( -14.515 -1.591 0.000) 14.601 4.060 ( 14.201 3.686 0.000) 14.671 4.256 ( 5.994 1.817 0.000) 6.263 4.499 ( -11.206 0.920 0.000) 11.244 4.632 ( -13.674 -0.587 0.000) 13.687 5.130 ( 3.215 -5.619 0.000) 6.473 5.132 ( 3.357 -4.530 0.000) 5.638 5.336 ( 1.133 -2.943 0.000) 3.153 5.350 ( 0.111 -2.815 0.000) 2.818 5.780 ( 3.704 -3.366 0.000) 5.005 5.788 ( 2.699 -2.734 0.000) 3.842 6.527 ( 0.031 1.346 0.000) 1.346 6.624 ( -10.070 1.694 0.000) 10.212 7.092 ( 11.996 -3.514 0.000) 12.500 7.318 ( -10.185 -5.020 0.000) 11.355 8.056 ( 1.910 1.680 0.000) 2.543 8.086 ( -1.798 2.343 0.000) 2.954 8.197 ( 10.717 1.514 0.000) 10.824 8.340 ( -5.223 16.477 0.000) 17.285 8.443 ( 0.428 16.618 0.000) 16.624 8.482 ( -0.655 0.310 0.000) 0.725 8.730 ( -2.607 11.379 0.000) 11.674 8.742 ( -4.395 14.770 0.000) 15.410 9.332 ( 5.143 10.277 0.000) 11.492 9.350 ( 3.526 11.263 0.000) 11.802 9.919 ( 1.366 2.778 0.000) 3.096 9.953 ( -0.648 1.583 0.000) 1.711 9.956 ( 4.705 3.849 0.000) 6.079 10.016 ( -4.578 8.633 0.000) 9.772 10.120 ( 1.334 1.593 0.000) 2.078 10.132 ( 1.094 1.954 0.000) 2.239 10.498 ( 2.998 -0.195 0.000) 3.004 10.535 ( -0.380 2.274 0.000) 2.305 10.945 ( 4.255 -4.806 0.000) 6.419 11.033 ( -4.940 -5.311 0.000) 7.253 11.402 ( 0.956 -10.318 0.000) 10.362 11.432 ( -1.311 -3.508 0.000) 3.745 11.508 ( 16.889 3.676 0.000) 17.284 11.578 ( 1.001 2.711 0.000) 2.890 11.595 ( 0.212 1.533 0.000) 1.547 11.761 ( -0.069 -7.603 0.000) 7.604 11.764 ( -1.286 -8.537 0.000) 8.633 11.938 ( -22.550 5.921 0.000) 23.314 12.063 ( 5.936 2.503 0.000) 6.442 12.186 ( -7.909 0.937 0.000) 7.964 12.992 ( 1.780 3.467 0.000) 3.897 13.045 ( -3.357 3.141 0.000) 4.597 13.811 ( 4.758 -5.761 0.000) 7.472 13.917 ( -5.997 -5.617 0.000) 8.217 14.480 ( 3.024 -6.574 0.000) 7.236 14.527 ( -1.774 -8.063 0.000) 8.256 15.998 ( 0.894 -2.049 0.000) 2.235 16.036 ( -2.757 -2.459 0.000) 3.694 16.229 ( 1.039 -5.203 0.000) 5.306 16.240 ( -0.005 -5.479 0.000) 5.479 16.985 ( 0.568 -7.464 0.000) 7.485 16.988 ( 0.207 -7.167 0.000) 7.170 17.086 ( 3.080 -6.717 0.000) 7.389 17.144 ( -2.278 -6.772 0.000) 7.145 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.000 25.380 0.000) 25.380 1.084 ( 0.000 25.802 0.000) 25.802 2.104 ( 0.000 26.025 0.000) 26.025 2.172 ( 0.000 4.345 0.000) 4.345 2.176 ( 0.000 4.652 0.000) 4.652 2.303 ( 0.000 29.756 0.000) 29.756 2.344 ( 0.000 25.106 0.000) 25.106 2.451 ( 0.000 9.169 0.000) 9.169 2.617 ( 0.000 17.337 0.000) 17.337 2.632 ( 0.000 9.957 0.000) 9.957 2.638 ( 0.000 14.033 0.000) 14.033 2.762 ( 0.000 20.489 0.000) 20.489 2.809 ( 0.000 5.276 0.000) 5.276 2.834 ( 0.000 5.215 0.000) 5.215 2.912 ( 0.000 19.065 0.000) 19.065 2.932 ( 0.000 11.505 0.000) 11.505 2.952 ( 0.000 20.315 0.000) 20.315 3.147 ( 0.000 23.646 0.000) 23.646 3.153 ( 0.000 6.106 0.000) 6.106 3.165 ( 0.000 20.983 0.000) 20.983 3.485 ( 0.000 -0.858 0.000) 0.858 3.490 ( 0.000 20.387 0.000) 20.387 3.642 ( 0.000 27.403 0.000) 27.403 3.911 ( 0.000 12.106 0.000) 12.106 3.941 ( 0.000 17.540 0.000) 17.540 4.045 ( 0.000 9.683 0.000) 9.683 4.228 ( 0.000 -1.331 0.000) 1.331 4.512 ( 0.000 -1.438 0.000) 1.438 4.640 ( 0.000 -4.530 0.000) 4.530 4.846 ( 0.000 -0.257 0.000) 0.257 4.945 ( 0.000 -3.265 0.000) 3.265 5.076 ( 0.000 -3.974 0.000) 3.974 5.203 ( 0.000 -4.343 0.000) 4.343 5.331 ( 0.000 -3.418 0.000) 3.418 5.398 ( 0.000 -6.486 0.000) 6.486 5.598 ( 0.000 -2.014 0.000) 2.014 6.708 ( 0.000 -0.002 0.000) 0.002 6.714 ( 0.000 -0.999 0.000) 0.999 7.230 ( 0.000 0.304 0.000) 0.304 7.301 ( 0.000 -4.063 0.000) 4.063 7.577 ( 0.000 3.221 0.000) 3.221 8.076 ( 0.000 -4.915 0.000) 4.915 8.193 ( 0.000 3.484 0.000) 3.484 8.348 ( 0.000 -10.823 0.000) 10.823 8.681 ( 0.000 1.829 0.000) 1.829 8.706 ( 0.000 0.608 0.000) 0.608 8.988 ( 0.000 24.094 0.000) 24.094 9.303 ( 0.000 8.819 0.000) 8.819 9.421 ( 0.000 19.181 0.000) 19.181 9.502 ( 0.000 12.455 0.000) 12.455 9.592 ( 0.000 -3.427 0.000) 3.427 9.985 ( 0.000 1.828 0.000) 1.828 10.014 ( 0.000 1.016 0.000) 1.016 10.062 ( 0.000 1.091 0.000) 1.091 10.226 ( 0.000 2.639 0.000) 2.639 10.384 ( 0.000 -5.837 0.000) 5.837 10.588 ( 0.000 16.239 0.000) 16.239 10.646 ( 0.000 18.808 0.000) 18.808 10.680 ( 0.000 -14.187 0.000) 14.187 10.865 ( 0.000 7.210 0.000) 7.210 11.003 ( 0.000 -13.468 0.000) 13.468 11.458 ( 0.000 3.509 0.000) 3.509 11.524 ( 0.000 1.370 0.000) 1.370 11.566 ( 0.000 2.038 0.000) 2.038 11.619 ( 0.000 4.599 0.000) 4.599 11.874 ( 0.000 5.795 0.000) 5.795 11.905 ( 0.000 1.514 0.000) 1.514 12.019 ( 0.000 11.181 0.000) 11.181 12.468 ( 0.000 -1.714 0.000) 1.714 12.718 ( 0.000 0.610 0.000) 0.610 12.955 ( 0.000 -3.504 0.000) 3.504 13.080 ( 0.000 -4.003 0.000) 4.003 13.561 ( 0.000 -10.748 0.000) 10.748 14.016 ( 0.000 -7.123 0.000) 7.123 14.146 ( 0.000 -13.862 0.000) 13.862 14.273 ( 0.000 -16.942 0.000) 16.942 15.957 ( 0.000 -10.194 0.000) 10.194 16.029 ( 0.000 -5.842 0.000) 5.842 16.041 ( 0.000 0.929 0.000) 0.929 16.054 ( 0.000 -8.320 0.000) 8.320 16.786 ( 0.000 -11.453 0.000) 11.453 16.806 ( 0.000 -13.655 0.000) 13.655 16.811 ( 0.000 -10.635 0.000) 10.635 16.956 ( 0.000 -12.389 0.000) 12.389 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 10.137 22.657 0.000) 24.821 1.210 ( 15.310 20.201 0.000) 25.348 2.116 ( -10.383 9.582 0.000) 14.129 2.195 ( 5.035 9.574 0.000) 10.817 2.203 ( 1.862 7.371 0.000) 7.603 2.356 ( -8.077 17.077 0.000) 18.891 2.384 ( 3.560 10.895 0.000) 11.462 2.394 ( 9.068 33.160 0.000) 34.377 2.399 ( -1.834 18.220 0.000) 18.312 2.569 ( 0.192 17.450 0.000) 17.451 2.753 ( -2.799 23.347 0.000) 23.515 2.791 ( 3.697 10.144 0.000) 10.796 2.845 ( 0.125 4.830 0.000) 4.832 2.881 ( -1.154 20.223 0.000) 20.256 2.908 ( -2.688 14.271 0.000) 14.522 2.917 ( -0.054 18.006 0.000) 18.007 3.075 ( 14.897 3.451 0.000) 15.291 3.118 ( 1.048 15.262 0.000) 15.297 3.159 ( -0.548 20.931 0.000) 20.938 3.275 ( 7.252 14.239 0.000) 15.980 3.440 ( -2.140 0.292 0.000) 2.160 3.451 ( -3.178 18.298 0.000) 18.572 3.623 ( -1.993 27.032 0.000) 27.105 3.741 ( -14.253 19.354 0.000) 24.037 4.016 ( 7.123 15.507 0.000) 17.064 4.118 ( -9.657 -1.314 0.000) 9.745 4.148 ( 8.853 8.277 0.000) 12.120 4.248 ( -17.860 -1.994 0.000) 17.971 4.788 ( 3.084 -1.409 0.000) 3.391 4.805 ( -12.442 -1.195 0.000) 12.499 4.942 ( 6.500 -1.706 0.000) 6.720 4.963 ( -4.771 -4.962 0.000) 6.884 5.254 ( -1.733 -4.850 0.000) 5.150 5.255 ( 2.264 -4.739 0.000) 5.252 5.554 ( 8.697 -6.281 0.000) 10.728 5.647 ( 3.979 -3.394 0.000) 5.230 6.609 ( -4.140 1.584 0.000) 4.432 6.844 ( 8.206 -1.412 0.000) 8.327 6.934 ( -15.669 2.448 0.000) 15.859 7.402 ( -3.418 -1.744 0.000) 3.837 7.742 ( 15.602 -3.298 0.000) 15.947 8.073 ( 0.456 -3.552 0.000) 3.581 8.175 ( -1.794 2.891 0.000) 3.402 8.333 ( -1.620 -10.718 0.000) 10.840 8.737 ( 2.014 5.137 0.000) 5.518 8.748 ( 3.688 4.283 0.000) 5.652 8.972 ( 0.110 19.941 0.000) 19.941 9.197 ( -7.301 12.309 0.000) 14.312 9.482 ( 3.986 12.874 0.000) 13.477 9.494 ( 2.217 12.965 0.000) 13.153 9.756 ( 12.842 -0.481 0.000) 12.851 9.960 ( -1.622 0.150 0.000) 1.629 9.984 ( 0.735 2.493 0.000) 2.599 10.142 ( 3.140 4.756 0.000) 5.699 10.203 ( -1.958 3.593 0.000) 4.092 10.383 ( -1.792 -3.313 0.000) 3.766 10.534 ( -1.182 6.158 0.000) 6.270 10.578 ( -4.179 10.638 0.000) 11.430 10.858 ( 11.229 -3.890 0.000) 11.884 10.889 ( 1.738 10.160 0.000) 10.307 11.054 ( 5.030 -13.490 0.000) 14.398 11.409 ( -2.169 1.707 0.000) 2.760 11.532 ( -7.436 1.959 0.000) 7.690 11.560 ( -0.725 -0.621 0.000) 0.954 11.579 ( 3.466 5.554 0.000) 6.547 11.815 ( -3.323 6.312 0.000) 7.134 11.852 ( -4.273 4.056 0.000) 5.892 12.066 ( 2.382 6.299 0.000) 6.734 12.367 ( -10.500 -0.181 0.000) 10.501 12.500 ( -17.743 4.332 0.000) 18.264 12.988 ( 3.133 -0.863 0.000) 3.250 13.088 ( 0.313 -2.902 0.000) 2.919 13.580 ( 1.879 -10.666 0.000) 10.830 13.895 ( -8.553 -10.511 0.000) 13.551 14.226 ( 4.624 -11.750 0.000) 12.627 14.284 ( 0.998 -16.143 0.000) 16.174 15.934 ( -1.098 -6.723 0.000) 6.812 16.011 ( -1.531 -4.715 0.000) 4.957 16.073 ( 1.298 -9.082 0.000) 9.175 16.077 ( 2.133 -3.975 0.000) 4.511 16.775 ( -0.270 -12.602 0.000) 12.605 16.803 ( -0.604 -11.346 0.000) 11.362 16.841 ( 2.804 -12.035 0.000) 12.357 16.970 ( 0.793 -11.824 0.000) 11.851 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 16.120 16.442 0.000) 23.026 1.581 ( 20.758 14.046 0.000) 25.064 1.798 ( -17.728 11.705 0.000) 21.244 1.991 ( -19.090 14.627 0.000) 24.050 2.301 ( 4.768 4.560 0.000) 6.598 2.325 ( 2.908 5.377 0.000) 6.113 2.455 ( 3.013 18.606 0.000) 18.848 2.494 ( 1.278 10.281 0.000) 10.360 2.605 ( 6.416 15.420 0.000) 16.702 2.634 ( 7.675 27.323 0.000) 28.381 2.704 ( -6.082 10.588 0.000) 12.210 2.795 ( 12.393 25.824 0.000) 28.644 2.802 ( -7.008 14.537 0.000) 16.138 2.856 ( 0.179 9.009 0.000) 9.011 2.893 ( -2.057 17.103 0.000) 17.227 2.959 ( 3.404 20.139 0.000) 20.425 3.100 ( -4.037 18.268 0.000) 18.709 3.136 ( -4.753 21.456 0.000) 21.976 3.228 ( 0.882 12.587 0.000) 12.618 3.268 ( -7.949 19.306 0.000) 20.878 3.478 ( 6.578 9.654 0.000) 11.682 3.565 ( -2.770 24.499 0.000) 24.655 3.572 ( 13.761 -0.499 0.000) 13.770 3.585 ( 5.263 20.997 0.000) 21.647 3.880 ( -18.531 0.985 0.000) 18.557 3.881 ( -14.272 -1.425 0.000) 14.343 4.205 ( 11.473 11.745 0.000) 16.419 4.336 ( 6.921 7.022 0.000) 9.860 4.541 ( -10.090 3.895 0.000) 10.815 4.644 ( -11.693 2.324 0.000) 11.922 5.007 ( 3.643 -6.611 0.000) 7.548 5.029 ( 1.661 -5.232 0.000) 5.489 5.258 ( 1.230 -4.842 0.000) 4.995 5.275 ( -0.123 -4.798 0.000) 4.799 5.683 ( 4.065 -6.535 0.000) 7.696 5.708 ( 1.361 -5.469 0.000) 5.636 6.579 ( 1.648 4.074 0.000) 4.395 6.686 ( -9.340 4.602 0.000) 10.412 7.034 ( 10.936 -2.259 0.000) 11.167 7.250 ( -10.508 -2.413 0.000) 10.782 8.032 ( 11.346 -5.891 0.000) 12.785 8.112 ( 4.557 -2.955 0.000) 5.431 8.130 ( -2.637 1.434 0.000) 3.002 8.262 ( -6.464 -10.352 0.000) 12.205 8.755 ( 0.041 10.905 0.000) 10.905 8.760 ( -0.762 11.416 0.000) 11.441 9.010 ( 2.445 14.183 0.000) 14.393 9.074 ( -4.800 14.169 0.000) 14.959 9.564 ( 3.756 8.696 0.000) 9.473 9.576 ( 3.496 12.906 0.000) 13.371 9.951 ( 4.835 1.986 0.000) 5.227 10.009 ( 0.454 4.220 0.000) 4.244 10.017 ( 7.646 -0.275 0.000) 7.651 10.136 ( -5.181 5.167 0.000) 7.317 10.186 ( 2.266 5.210 0.000) 5.681 10.278 ( -5.645 7.323 0.000) 9.246 10.538 ( 0.863 2.780 0.000) 2.911 10.551 ( -0.266 -2.412 0.000) 2.427 10.927 ( 2.382 8.958 0.000) 9.269 10.972 ( -0.484 2.952 0.000) 2.991 11.183 ( 7.807 -10.143 0.000) 12.800 11.348 ( -8.587 -3.672 0.000) 9.339 11.465 ( 4.827 -5.221 0.000) 7.111 11.534 ( -2.074 -5.249 0.000) 5.644 11.679 ( 6.579 7.089 0.000) 9.672 11.772 ( -3.924 7.365 0.000) 8.345 11.806 ( 5.122 9.923 0.000) 11.167 12.085 ( -18.585 8.467 0.000) 20.423 12.094 ( 1.427 0.677 0.000) 1.579 12.185 ( -9.952 -0.825 0.000) 9.986 13.057 ( 3.224 2.464 0.000) 4.058 13.092 ( -0.351 1.123 0.000) 1.176 13.632 ( 3.719 -12.152 0.000) 12.708 13.737 ( -7.086 -12.498 0.000) 14.367 14.289 ( 1.815 -12.502 0.000) 12.634 14.301 ( 0.410 -14.348 0.000) 14.353 15.934 ( 1.181 -4.756 0.000) 4.900 15.972 ( -2.294 -3.979 0.000) 4.593 16.094 ( 0.782 -8.788 0.000) 8.823 16.100 ( 0.276 -7.033 0.000) 7.039 16.780 ( 0.585 -12.939 0.000) 12.952 16.792 ( -0.574 -12.419 0.000) 12.433 16.906 ( 3.547 -10.957 0.000) 11.517 16.963 ( -1.808 -11.047 0.000) 11.194 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.000 22.198 0.000) 22.198 1.557 ( 0.000 21.944 0.000) 21.944 2.260 ( 0.000 4.387 0.000) 4.387 2.273 ( 0.000 5.287 0.000) 5.287 2.288 ( 0.000 6.420 0.000) 6.420 2.609 ( 0.000 7.151 0.000) 7.151 2.676 ( 0.000 7.510 0.000) 7.510 2.709 ( 0.000 -0.304 0.000) 0.304 2.779 ( 0.000 0.705 0.000) 0.705 2.790 ( 0.000 7.158 0.000) 7.158 2.907 ( 0.000 12.546 0.000) 12.546 3.112 ( 0.000 16.749 0.000) 16.749 3.151 ( 0.000 8.830 0.000) 8.830 3.204 ( 0.000 37.065 0.000) 37.065 3.293 ( 0.000 27.648 0.000) 27.648 3.299 ( 0.000 19.653 0.000) 19.653 3.328 ( 0.000 11.753 0.000) 11.753 3.388 ( 0.000 22.075 0.000) 22.075 3.421 ( 0.000 4.586 0.000) 4.586 3.589 ( 0.000 19.157 0.000) 19.157 3.629 ( 0.000 17.505 0.000) 17.505 3.875 ( 0.000 16.977 0.000) 16.977 4.120 ( 0.000 7.553 0.000) 7.553 4.208 ( 0.000 27.914 0.000) 27.914 4.312 ( 0.000 16.978 0.000) 16.978 4.364 ( 0.000 24.425 0.000) 24.425 4.392 ( 0.000 20.539 0.000) 20.539 4.485 ( 0.000 -1.347 0.000) 1.347 4.538 ( 0.000 -5.419 0.000) 5.419 4.807 ( 0.000 -4.518 0.000) 4.518 4.967 ( 0.000 7.431 0.000) 7.431 4.996 ( 0.000 -3.220 0.000) 3.220 5.115 ( 0.000 -4.242 0.000) 4.242 5.253 ( 0.000 -7.966 0.000) 7.966 5.270 ( 0.000 -1.888 0.000) 1.888 5.547 ( 0.000 -2.825 0.000) 2.825 6.717 ( 0.000 1.651 0.000) 1.651 6.734 ( 0.000 2.744 0.000) 2.744 7.239 ( 0.000 -1.984 0.000) 1.984 7.261 ( 0.000 2.478 0.000) 2.478 7.638 ( 0.000 2.523 0.000) 2.523 7.959 ( 0.000 -6.965 0.000) 6.965 8.065 ( 0.000 -16.855 0.000) 16.855 8.232 ( 0.000 -0.657 0.000) 0.657 8.743 ( 0.000 4.331 0.000) 4.331 8.750 ( 0.000 3.933 0.000) 3.933 9.345 ( 0.000 11.883 0.000) 11.883 9.409 ( 0.000 2.007 0.000) 2.007 9.565 ( 0.000 -4.124 0.000) 4.124 9.585 ( 0.000 3.483 0.000) 3.483 9.667 ( 0.000 2.996 0.000) 2.996 9.999 ( 0.000 -4.129 0.000) 4.129 10.029 ( 0.000 0.108 0.000) 0.108 10.053 ( 0.000 -3.239 0.000) 3.239 10.285 ( 0.000 1.770 0.000) 1.770 10.343 ( 0.000 3.855 0.000) 3.855 10.496 ( 0.000 -0.628 0.000) 0.628 10.548 ( 0.000 -5.722 0.000) 5.722 10.971 ( 0.000 21.232 0.000) 21.232 11.036 ( 0.000 8.442 0.000) 8.442 11.336 ( 0.000 27.814 0.000) 27.814 11.567 ( 0.000 -1.983 0.000) 1.983 11.586 ( 0.000 8.148 0.000) 8.148 11.588 ( 0.000 5.105 0.000) 5.105 11.800 ( 0.000 12.187 0.000) 12.187 11.963 ( 0.000 4.131 0.000) 4.131 11.971 ( 0.000 4.235 0.000) 4.235 12.200 ( 0.000 7.021 0.000) 7.021 12.431 ( 0.000 -2.075 0.000) 2.075 12.703 ( 0.000 -2.141 0.000) 2.141 12.810 ( 0.000 -12.266 0.000) 12.266 12.974 ( 0.000 -6.625 0.000) 6.625 13.335 ( 0.000 -11.299 0.000) 11.299 13.815 ( 0.000 -12.852 0.000) 12.852 13.871 ( 0.000 -12.910 0.000) 12.910 13.932 ( 0.000 -16.601 0.000) 16.601 15.738 ( 0.000 -11.533 0.000) 11.533 15.884 ( 0.000 -8.553 0.000) 8.553 15.919 ( 0.000 -5.024 0.000) 5.024 16.033 ( 0.000 -1.911 0.000) 1.911 16.505 ( 0.000 -16.351 0.000) 16.351 16.548 ( 0.000 -12.183 0.000) 12.183 16.578 ( 0.000 -12.533 0.000) 12.533 16.690 ( 0.000 -14.072 0.000) 14.072 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 8.663 19.448 0.000) 21.291 1.615 ( 5.862 20.211 0.000) 21.044 2.263 ( -7.713 6.407 0.000) 10.027 2.299 ( 3.085 4.605 0.000) 5.542 2.306 ( 4.571 4.141 0.000) 6.168 2.524 ( 1.205 7.956 0.000) 8.046 2.541 ( -13.164 4.963 0.000) 14.068 2.699 ( -0.657 7.970 0.000) 7.997 2.815 ( 1.597 9.331 0.000) 9.467 2.859 ( 4.575 3.129 0.000) 5.543 3.015 ( 5.051 5.469 0.000) 7.445 3.022 ( -4.596 8.483 0.000) 9.648 3.213 ( 4.887 13.710 0.000) 14.555 3.216 ( -3.110 20.680 0.000) 20.912 3.316 ( 10.023 32.095 0.000) 33.623 3.322 ( -4.288 20.374 0.000) 20.821 3.359 ( 4.360 22.409 0.000) 22.829 3.364 ( 1.796 15.242 0.000) 15.348 3.440 ( 1.761 8.797 0.000) 8.972 3.587 ( -3.496 17.880 0.000) 18.219 3.643 ( 2.663 16.436 0.000) 16.651 3.840 ( -2.796 19.753 0.000) 19.950 4.052 ( -5.938 7.660 0.000) 9.692 4.168 ( -10.577 17.335 0.000) 20.307 4.223 ( -8.001 9.625 0.000) 12.517 4.288 ( -9.302 22.926 0.000) 24.741 4.383 ( 6.405 15.262 0.000) 16.552 4.411 ( 4.293 22.353 0.000) 22.761 4.751 ( 9.846 -3.930 0.000) 10.602 4.778 ( -3.534 -1.005 0.000) 3.674 4.902 ( -7.742 1.226 0.000) 7.838 4.985 ( 0.669 7.193 0.000) 7.224 5.149 ( 1.893 -5.590 0.000) 5.901 5.157 ( -2.295 -4.148 0.000) 4.740 5.410 ( 7.218 -7.949 0.000) 10.737 5.565 ( 1.361 -4.601 0.000) 4.798 6.670 ( -1.230 4.640 0.000) 4.801 6.834 ( 7.076 0.608 0.000) 7.102 7.002 ( -12.151 4.188 0.000) 12.853 7.367 ( -2.879 -1.720 0.000) 3.353 7.689 ( 7.604 -2.345 0.000) 7.958 7.990 ( 3.177 -4.798 0.000) 5.754 8.053 ( -1.351 -15.877 0.000) 15.935 8.212 ( -2.014 -1.082 0.000) 2.286 8.802 ( 4.784 2.389 0.000) 5.347 8.828 ( 6.258 4.921 0.000) 7.961 9.263 ( -5.316 9.017 0.000) 10.468 9.323 ( -6.904 0.889 0.000) 6.961 9.632 ( 9.168 2.831 0.000) 9.595 9.641 ( -1.210 1.854 0.000) 2.214 9.773 ( 12.663 1.034 0.000) 12.705 9.974 ( -3.826 0.863 0.000) 3.922 10.046 ( 4.102 2.122 0.000) 4.618 10.160 ( 7.037 -8.218 0.000) 10.819 10.275 ( -1.055 2.482 0.000) 2.697 10.351 ( 1.545 9.984 0.000) 10.103 10.527 ( 2.700 0.403 0.000) 2.729 10.556 ( -0.313 -5.695 0.000) 5.704 10.983 ( -3.722 3.439 0.000) 5.068 11.060 ( 8.075 18.228 0.000) 19.936 11.319 ( -1.552 25.361 0.000) 25.408 11.480 ( -5.287 5.854 0.000) 7.888 11.530 ( -3.238 -2.240 0.000) 3.937 11.593 ( -10.411 3.246 0.000) 10.905 11.751 ( 2.039 10.215 0.000) 10.416 11.945 ( -1.006 5.811 0.000) 5.897 11.956 ( -0.392 6.028 0.000) 6.041 12.182 ( -2.032 6.036 0.000) 6.368 12.347 ( -8.886 -1.463 0.000) 9.006 12.575 ( -12.673 3.628 0.000) 13.183 12.908 ( 8.334 -8.143 0.000) 11.652 12.982 ( 2.842 -8.152 0.000) 8.633 13.352 ( 0.835 -11.402 0.000) 11.433 13.652 ( -10.459 -12.907 0.000) 16.612 13.953 ( 1.877 -16.525 0.000) 16.631 13.969 ( 4.046 -13.876 0.000) 14.454 15.754 ( 1.647 -10.344 0.000) 10.474 15.884 ( -0.080 -9.508 0.000) 9.508 15.922 ( 0.163 -4.264 0.000) 4.267 16.017 ( -1.521 -3.221 0.000) 3.562 16.493 ( -0.464 -15.514 0.000) 15.521 16.552 ( -1.895 -13.523 0.000) 13.656 16.594 ( 3.850 -12.484 0.000) 13.064 16.719 ( 1.855 -13.162 0.000) 13.293 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 10.147 15.764 0.000) 18.747 1.844 ( 13.517 12.813 0.000) 18.625 2.041 ( -10.285 12.187 0.000) 15.947 2.225 ( -17.955 9.621 0.000) 20.371 2.382 ( 4.463 3.645 0.000) 5.763 2.406 ( 3.487 3.571 0.000) 4.991 2.614 ( 3.393 4.962 0.000) 6.011 2.646 ( -2.770 3.215 0.000) 4.244 2.852 ( 2.654 8.602 0.000) 9.002 2.902 ( -1.170 5.531 0.000) 5.653 3.007 ( 1.967 12.993 0.000) 13.141 3.031 ( -0.926 11.524 0.000) 11.562 3.161 ( -1.867 15.876 0.000) 15.985 3.193 ( -5.113 18.163 0.000) 18.869 3.385 ( 8.489 13.332 0.000) 15.805 3.415 ( 3.943 13.415 0.000) 13.982 3.461 ( -0.340 22.545 0.000) 22.548 3.472 ( 2.103 12.188 0.000) 12.368 3.548 ( 7.812 28.499 0.000) 29.550 3.587 ( 10.735 6.952 0.000) 12.790 3.644 ( -0.631 8.660 0.000) 8.682 3.739 ( -8.952 23.515 0.000) 25.161 3.871 ( -12.348 6.427 0.000) 13.921 3.925 ( -8.941 11.083 0.000) 14.240 4.123 ( -3.154 28.185 0.000) 28.361 4.154 ( -3.294 26.732 0.000) 26.934 4.526 ( 6.972 19.418 0.000) 20.632 4.538 ( 8.920 11.676 0.000) 14.693 4.671 ( -6.778 9.665 0.000) 11.805 4.727 ( -9.480 4.483 0.000) 10.487 4.899 ( 5.223 -1.752 0.000) 5.509 4.968 ( -2.164 0.908 0.000) 2.346 5.161 ( 1.185 -4.008 0.000) 4.179 5.171 ( 0.307 -5.039 0.000) 5.048 5.526 ( 4.410 -9.115 0.000) 10.125 5.576 ( -0.723 -7.604 0.000) 7.639 6.687 ( 3.278 6.854 0.000) 7.598 6.800 ( -8.233 6.780 0.000) 10.665 7.003 ( 10.011 -0.885 0.000) 10.050 7.210 ( -10.641 -1.800 0.000) 10.793 7.873 ( 8.971 -8.755 0.000) 12.535 8.002 ( -4.275 -13.152 0.000) 13.829 8.069 ( 4.521 -2.916 0.000) 5.379 8.154 ( -3.882 -1.995 0.000) 4.365 8.882 ( 3.071 2.752 0.000) 4.124 8.912 ( 0.999 6.047 0.000) 6.129 9.199 ( -1.166 5.704 0.000) 5.822 9.214 ( -3.118 1.006 0.000) 3.276 9.664 ( 3.613 1.253 0.000) 3.824 9.742 ( -2.078 2.060 0.000) 2.926 10.010 ( 8.947 2.331 0.000) 9.246 10.031 ( 13.269 4.988 0.000) 14.176 10.090 ( -0.169 3.690 0.000) 3.694 10.244 ( 0.463 -4.345 0.000) 4.370 10.255 ( -0.367 1.164 0.000) 1.221 10.317 ( -9.326 9.688 0.000) 13.447 10.545 ( 1.897 3.086 0.000) 3.622 10.569 ( 0.758 3.279 0.000) 3.366 11.012 ( 8.541 -7.342 0.000) 11.263 11.214 ( 4.842 16.413 0.000) 17.112 11.284 ( -1.937 21.727 0.000) 21.813 11.285 ( -15.532 -2.856 0.000) 15.793 11.422 ( -0.840 1.230 0.000) 1.490 11.461 ( -3.544 -2.731 0.000) 4.474 11.848 ( 5.874 9.843 0.000) 11.462 11.940 ( -2.362 8.825 0.000) 9.136 11.988 ( 6.900 4.324 0.000) 8.143 12.141 ( -0.914 7.259 0.000) 7.316 12.150 ( -8.513 -0.810 0.000) 8.551 12.274 ( -15.518 9.118 0.000) 17.999 13.062 ( 5.780 -2.725 0.000) 6.390 13.075 ( 4.381 -3.175 0.000) 5.410 13.358 ( 0.936 -14.593 0.000) 14.623 13.454 ( -8.789 -14.887 0.000) 17.288 13.992 ( 1.779 -16.128 0.000) 16.226 14.009 ( 0.322 -15.188 0.000) 15.191 15.801 ( 3.029 -8.465 0.000) 8.991 15.860 ( -2.563 -8.265 0.000) 8.653 15.939 ( 1.787 -5.542 0.000) 5.823 15.980 ( -2.137 -5.178 0.000) 5.602 16.496 ( 0.702 -15.336 0.000) 15.352 16.518 ( -1.525 -14.754 0.000) 14.832 16.676 ( 3.999 -11.916 0.000) 12.569 16.729 ( -1.145 -12.162 0.000) 12.216 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.000 17.042 0.000) 17.042 1.940 ( 0.000 16.845 0.000) 16.845 2.340 ( 0.000 3.719 0.000) 3.719 2.365 ( 0.000 3.730 0.000) 3.730 2.416 ( 0.000 6.261 0.000) 6.261 2.659 ( 0.000 -2.670 0.000) 2.670 2.741 ( 0.000 6.729 0.000) 6.729 2.764 ( 0.000 1.299 0.000) 1.299 2.785 ( 0.000 0.810 0.000) 0.810 2.936 ( 0.000 7.867 0.000) 7.867 3.143 ( 0.000 11.864 0.000) 11.864 3.275 ( 0.000 4.354 0.000) 4.354 3.318 ( 0.000 5.581 0.000) 5.581 3.342 ( 0.000 -2.057 0.000) 2.057 3.542 ( 0.000 7.779 0.000) 7.779 3.648 ( 0.000 14.573 0.000) 14.573 3.685 ( 0.000 12.454 0.000) 12.454 3.793 ( 0.000 17.598 0.000) 17.598 3.806 ( 0.000 2.912 0.000) 2.912 3.955 ( 0.000 16.731 0.000) 16.731 4.081 ( 0.000 37.880 0.000) 37.880 4.121 ( 0.000 11.019 0.000) 11.019 4.386 ( 0.000 15.149 0.000) 15.149 4.411 ( 0.000 -5.424 0.000) 5.424 4.444 ( 0.000 -3.251 0.000) 3.251 4.617 ( 0.000 8.152 0.000) 8.152 4.630 ( 0.000 7.645 0.000) 7.645 4.745 ( 0.000 4.176 0.000) 4.176 4.833 ( 0.000 21.556 0.000) 21.556 4.880 ( 0.000 26.529 0.000) 26.529 5.039 ( 0.000 -4.094 0.000) 4.094 5.053 ( 0.000 12.825 0.000) 12.825 5.088 ( 0.000 -3.874 0.000) 3.874 5.236 ( 0.000 15.819 0.000) 15.819 5.321 ( 0.000 8.874 0.000) 8.874 5.530 ( 0.000 2.663 0.000) 2.663 6.792 ( 0.000 6.176 0.000) 6.176 6.815 ( 0.000 5.386 0.000) 5.386 7.224 ( 0.000 0.315 0.000) 0.315 7.312 ( 0.000 2.396 0.000) 2.396 7.651 ( 0.000 -1.889 0.000) 1.889 7.729 ( 0.000 -16.314 0.000) 16.314 7.802 ( 0.000 -8.996 0.000) 8.996 8.135 ( 0.000 -9.133 0.000) 9.133 8.832 ( 0.000 4.234 0.000) 4.234 8.861 ( 0.000 7.178 0.000) 7.178 9.407 ( 0.000 -1.466 0.000) 1.466 9.514 ( 0.000 1.778 0.000) 1.778 9.523 ( 0.000 7.916 0.000) 7.916 9.541 ( 0.000 -10.961 0.000) 10.961 9.687 ( 0.000 5.113 0.000) 5.113 9.893 ( 0.000 -4.987 0.000) 4.987 9.959 ( 0.000 -5.080 0.000) 5.080 9.981 ( 0.000 -2.333 0.000) 2.333 10.284 ( 0.000 -0.655 0.000) 0.655 10.524 ( 0.000 13.209 0.000) 13.209 10.614 ( 0.000 9.033 0.000) 9.033 10.657 ( 0.000 12.795 0.000) 12.795 11.121 ( 0.000 -1.521 0.000) 1.521 11.366 ( 0.000 17.461 0.000) 17.461 11.500 ( 0.000 -4.137 0.000) 4.137 11.709 ( 0.000 6.635 0.000) 6.635 11.738 ( 0.000 6.511 0.000) 6.511 11.806 ( 0.000 17.504 0.000) 17.504 11.980 ( 0.000 3.712 0.000) 3.712 12.051 ( 0.000 4.362 0.000) 4.362 12.108 ( 0.000 11.294 0.000) 11.294 12.273 ( 0.000 -3.306 0.000) 3.306 12.382 ( 0.000 -3.225 0.000) 3.225 12.489 ( 0.000 -15.575 0.000) 15.575 12.639 ( 0.000 -3.698 0.000) 3.698 12.843 ( 0.000 -5.519 0.000) 5.519 13.156 ( 0.000 -5.969 0.000) 5.969 13.536 ( 0.000 -14.812 0.000) 14.812 13.644 ( 0.000 -12.572 0.000) 12.572 13.653 ( 0.000 -9.748 0.000) 9.748 15.521 ( 0.000 -10.096 0.000) 10.096 15.725 ( 0.000 -7.535 0.000) 7.535 15.835 ( 0.000 -3.566 0.000) 3.566 15.962 ( 0.000 -5.297 0.000) 5.297 16.184 ( 0.000 -15.723 0.000) 15.723 16.322 ( 0.000 -10.560 0.000) 10.560 16.336 ( 0.000 -11.674 0.000) 11.674 16.420 ( 0.000 -12.965 0.000) 12.965 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 4.818 15.967 0.000) 16.678 1.970 ( 3.017 15.614 0.000) 15.902 2.364 ( -3.692 3.745 0.000) 5.259 2.373 ( 3.492 2.876 0.000) 4.524 2.388 ( 0.322 4.408 0.000) 4.419 2.590 ( -7.007 0.512 0.000) 7.026 2.686 ( 0.412 8.196 0.000) 8.206 2.767 ( -2.976 0.629 0.000) 3.042 2.924 ( 7.884 2.341 0.000) 8.224 2.959 ( 3.720 6.922 0.000) 7.859 3.110 ( -2.781 6.673 0.000) 7.229 3.153 ( -3.604 5.226 0.000) 6.348 3.374 ( 2.572 4.716 0.000) 5.372 3.388 ( 3.831 0.046 0.000) 3.831 3.557 ( -4.788 12.356 0.000) 13.251 3.629 ( -1.067 9.310 0.000) 9.371 3.695 ( -1.455 14.170 0.000) 14.245 3.743 ( 1.945 11.847 0.000) 12.006 3.797 ( -2.554 1.971 0.000) 3.226 3.927 ( -2.574 17.676 0.000) 17.863 4.094 ( -1.983 25.368 0.000) 25.445 4.171 ( 4.320 14.120 0.000) 14.766 4.214 ( -5.904 11.987 0.000) 13.363 4.298 ( -7.161 15.289 0.000) 16.883 4.579 ( 4.095 -7.407 0.000) 8.464 4.635 ( 0.515 4.924 0.000) 4.951 4.671 ( 3.135 15.916 0.000) 16.222 4.763 ( -4.062 19.871 0.000) 20.282 4.819 ( 3.535 10.327 0.000) 10.916 4.861 ( 0.583 12.049 0.000) 12.063 5.035 ( -1.493 14.646 0.000) 14.722 5.096 ( 4.297 3.719 0.000) 5.683 5.122 ( 2.359 -1.184 0.000) 2.639 5.232 ( -1.176 16.782 0.000) 16.823 5.319 ( 0.895 4.538 0.000) 4.625 5.513 ( -1.792 1.526 0.000) 2.354 6.792 ( 1.064 7.698 0.000) 7.771 6.873 ( 4.919 3.351 0.000) 5.951 7.088 ( -8.489 4.349 0.000) 9.538 7.334 ( -4.320 -1.753 0.000) 4.662 7.629 ( 1.938 -4.326 0.000) 4.740 7.734 ( 0.383 -15.587 0.000) 15.592 7.882 ( 5.536 -6.345 0.000) 8.421 8.119 ( -1.665 -8.343 0.000) 8.507 8.854 ( 2.277 2.977 0.000) 3.748 8.943 ( 7.066 6.765 0.000) 9.782 9.277 ( -8.646 -3.872 0.000) 9.474 9.395 ( -5.420 6.533 0.000) 8.488 9.585 ( 2.087 -5.124 0.000) 5.533 9.686 ( 8.441 3.279 0.000) 9.056 9.799 ( 9.362 0.869 0.000) 9.402 9.970 ( 7.348 -5.396 0.000) 9.116 9.985 ( 2.943 2.135 0.000) 3.636 10.074 ( 9.312 -3.816 0.000) 10.063 10.292 ( 0.287 0.138 0.000) 0.318 10.545 ( 1.666 9.045 0.000) 9.197 10.634 ( 2.189 8.290 0.000) 8.574 10.656 ( 0.273 15.254 0.000) 15.256 10.999 ( -10.719 -3.163 0.000) 11.176 11.387 ( 1.061 12.660 0.000) 12.704 11.462 ( -3.783 -4.877 0.000) 6.172 11.606 ( -16.934 -0.625 0.000) 16.946 11.646 ( -4.754 8.704 0.000) 9.918 11.746 ( -5.046 15.767 0.000) 16.555 11.918 ( 1.310 4.771 0.000) 4.948 12.053 ( -2.814 6.620 0.000) 7.193 12.078 ( 1.903 5.781 0.000) 6.086 12.292 ( 1.230 3.090 0.000) 3.326 12.321 ( -6.237 -1.106 0.000) 6.334 12.652 ( -6.151 4.181 0.000) 7.437 12.687 ( 14.293 -11.092 0.000) 18.092 12.782 ( 2.851 -10.740 0.000) 11.113 13.163 ( -0.496 -7.206 0.000) 7.223 13.413 ( -9.587 -11.546 0.000) 15.007 13.660 ( 1.520 -12.985 0.000) 13.073 13.702 ( 2.299 -12.767 0.000) 12.972 15.555 ( 3.245 -9.364 0.000) 9.911 15.707 ( -1.195 -8.279 0.000) 8.365 15.845 ( 0.382 -3.763 0.000) 3.782 15.928 ( -2.883 -6.002 0.000) 6.658 16.187 ( 0.288 -14.950 0.000) 14.953 16.294 ( -2.996 -12.082 0.000) 12.448 16.365 ( 4.039 -10.638 0.000) 11.379 16.467 ( 2.988 -12.210 0.000) 12.570 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 5.141 12.185 0.000) 13.225 2.085 ( 6.006 11.484 0.000) 12.960 2.251 ( -3.344 8.641 0.000) 9.266 2.377 ( -10.435 5.779 0.000) 11.928 2.445 ( 3.714 2.783 0.000) 4.641 2.473 ( 1.664 3.364 0.000) 3.753 2.672 ( -2.795 0.324 0.000) 2.814 2.696 ( -1.724 3.163 0.000) 3.603 3.022 ( 1.415 9.836 0.000) 9.937 3.036 ( 1.182 8.266 0.000) 8.350 3.123 ( 5.747 0.594 0.000) 5.778 3.169 ( 2.740 4.104 0.000) 4.935 3.398 ( -2.346 5.160 0.000) 5.668 3.442 ( -3.153 3.904 0.000) 5.018 3.475 ( 1.655 5.779 0.000) 6.011 3.563 ( 4.091 5.623 0.000) 6.953 3.685 ( -7.872 1.716 0.000) 8.057 3.698 ( -4.240 2.132 0.000) 4.746 3.796 ( 3.386 15.828 0.000) 16.186 3.865 ( -3.522 17.778 0.000) 18.124 4.020 ( 1.196 15.988 0.000) 16.033 4.123 ( -7.547 17.338 0.000) 18.909 4.264 ( 5.009 28.496 0.000) 28.933 4.287 ( 3.422 16.806 0.000) 17.151 4.616 ( -0.048 0.004 0.000) 0.048 4.646 ( -1.526 2.564 0.000) 2.984 4.653 ( -2.888 22.604 0.000) 22.788 4.666 ( -1.541 16.491 0.000) 16.563 4.903 ( 3.806 8.024 0.000) 8.881 4.933 ( 3.028 -1.651 0.000) 3.449 5.014 ( 1.385 23.246 0.000) 23.287 5.107 ( -4.723 13.219 0.000) 14.038 5.173 ( 3.088 6.677 0.000) 7.357 5.207 ( -0.668 7.977 0.000) 8.005 5.375 ( 4.266 -0.288 0.000) 4.276 5.458 ( -3.756 -0.561 0.000) 3.798 6.840 ( 3.827 8.323 0.000) 9.160 6.940 ( -6.448 7.129 0.000) 9.613 7.000 ( 7.994 0.679 0.000) 8.023 7.176 ( -9.634 -1.635 0.000) 9.772 7.699 ( 3.338 -8.929 0.000) 9.532 7.736 ( -0.561 -13.242 0.000) 13.254 7.985 ( 4.945 -5.549 0.000) 7.433 8.069 ( -3.484 -6.661 0.000) 7.518 8.920 ( 4.575 2.100 0.000) 5.034 9.015 ( -3.127 4.543 0.000) 5.516 9.199 ( 3.348 -0.307 0.000) 3.363 9.298 ( -5.032 5.444 0.000) 7.413 9.635 ( 3.511 -2.735 0.000) 4.450 9.713 ( -3.594 -2.470 0.000) 4.361 10.036 ( 12.468 -0.537 0.000) 12.480 10.112 ( 5.414 -0.751 0.000) 5.466 10.151 ( 9.278 5.159 0.000) 10.616 10.205 ( 1.130 -1.795 0.000) 2.121 10.296 ( 2.529 5.474 0.000) 6.030 10.484 ( -10.155 9.094 0.000) 13.632 10.693 ( 3.184 7.635 0.000) 8.272 10.720 ( 3.268 13.590 0.000) 13.978 10.863 ( 4.582 -7.686 0.000) 8.948 11.187 ( -22.115 -5.152 0.000) 22.708 11.366 ( -2.310 -0.907 0.000) 2.481 11.374 ( -3.705 -6.899 0.000) 7.830 11.621 ( 0.972 14.844 0.000) 14.876 11.660 ( -3.140 14.785 0.000) 15.115 11.986 ( 5.238 0.988 0.000) 5.330 12.061 ( 3.634 8.037 0.000) 8.821 12.087 ( -2.183 5.241 0.000) 5.677 12.169 ( -7.928 2.898 0.000) 8.441 12.324 ( 2.774 7.894 0.000) 8.367 12.443 ( -10.070 7.405 0.000) 12.499 12.940 ( 10.723 -8.192 0.000) 13.494 12.960 ( 11.199 -8.133 0.000) 13.841 13.109 ( -5.013 -9.369 0.000) 10.625 13.202 ( -11.623 -10.429 0.000) 15.616 13.694 ( 1.748 -13.701 0.000) 13.812 13.718 ( -0.434 -13.894 0.000) 13.901 15.629 ( 3.743 -8.435 0.000) 9.228 15.683 ( -1.679 -8.729 0.000) 8.889 15.848 ( 0.342 -4.765 0.000) 4.777 15.874 ( -2.308 -6.214 0.000) 6.629 16.200 ( 1.205 -14.024 0.000) 14.076 16.237 ( -2.614 -13.008 0.000) 13.268 16.451 ( 4.022 -10.673 0.000) 11.406 16.497 ( -0.337 -11.246 0.000) 11.251 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.000 10.807 0.000) 10.807 2.217 ( 0.000 11.239 0.000) 11.239 2.411 ( 0.000 3.706 0.000) 3.706 2.412 ( 0.000 1.049 0.000) 1.049 2.523 ( 0.000 4.515 0.000) 4.515 2.604 ( 0.000 -2.785 0.000) 2.785 2.765 ( 0.000 -0.932 0.000) 0.932 2.818 ( 0.000 2.252 0.000) 2.252 2.895 ( 0.000 9.181 0.000) 9.181 3.101 ( 0.000 8.752 0.000) 8.752 3.301 ( 0.000 -1.676 0.000) 1.676 3.338 ( 0.000 2.418 0.000) 2.418 3.382 ( 0.000 1.487 0.000) 1.487 3.382 ( 0.000 12.409 0.000) 12.409 3.625 ( 0.000 1.665 0.000) 1.665 3.788 ( 0.000 0.308 0.000) 0.308 3.828 ( 0.000 1.202 0.000) 1.202 3.835 ( 0.000 4.063 0.000) 4.063 4.016 ( 0.000 4.046 0.000) 4.046 4.227 ( 0.000 -1.455 0.000) 1.455 4.273 ( 0.000 8.601 0.000) 8.601 4.310 ( 0.000 -4.473 0.000) 4.473 4.336 ( 0.000 -0.212 0.000) 0.212 4.594 ( 0.000 -5.364 0.000) 5.364 4.651 ( 0.000 12.622 0.000) 12.622 4.668 ( 0.000 1.322 0.000) 1.322 4.695 ( 0.000 14.519 0.000) 14.519 4.840 ( 0.000 1.107 0.000) 1.107 4.988 ( 0.000 7.007 0.000) 7.007 5.202 ( 0.000 14.536 0.000) 14.536 5.220 ( 0.000 17.743 0.000) 17.743 5.347 ( 0.000 20.113 0.000) 20.113 5.418 ( 0.000 19.965 0.000) 19.965 5.595 ( 0.000 18.439 0.000) 18.439 5.604 ( 0.000 17.246 0.000) 17.246 5.668 ( 0.000 10.104 0.000) 10.104 6.930 ( 0.000 5.642 0.000) 5.642 6.956 ( 0.000 9.929 0.000) 9.929 7.242 ( 0.000 1.289 0.000) 1.289 7.345 ( 0.000 0.663 0.000) 0.663 7.448 ( 0.000 -11.762 0.000) 11.762 7.547 ( 0.000 -8.347 0.000) 8.347 7.605 ( 0.000 -10.823 0.000) 10.823 7.914 ( 0.000 -11.769 0.000) 11.769 8.917 ( 0.000 4.900 0.000) 4.900 9.020 ( 0.000 8.391 0.000) 8.391 9.374 ( 0.000 -1.614 0.000) 1.614 9.401 ( 0.000 -1.764 0.000) 1.764 9.628 ( 0.000 -0.089 0.000) 0.089 9.646 ( 0.000 10.524 0.000) 10.524 9.787 ( 0.000 7.197 0.000) 7.197 9.817 ( 0.000 -1.989 0.000) 1.989 9.879 ( 0.000 -2.807 0.000) 2.807 9.980 ( 0.000 2.253 0.000) 2.253 10.321 ( 0.000 5.311 0.000) 5.311 10.784 ( 0.000 7.663 0.000) 7.663 10.822 ( 0.000 14.764 0.000) 14.764 10.945 ( 0.000 14.993 0.000) 14.993 10.972 ( 0.000 -10.636 0.000) 10.636 11.416 ( 0.000 -4.749 0.000) 4.749 11.607 ( 0.000 3.960 0.000) 3.960 11.821 ( 0.000 1.863 0.000) 1.863 11.836 ( 0.000 6.038 0.000) 6.038 11.911 ( 0.000 -21.825 0.000) 21.825 11.985 ( 0.000 2.173 0.000) 2.173 12.023 ( 0.000 1.477 0.000) 1.477 12.082 ( 0.000 -3.184 0.000) 3.184 12.294 ( 0.000 -5.456 0.000) 5.456 12.333 ( 0.000 10.749 0.000) 10.749 12.436 ( 0.000 3.090 0.000) 3.090 12.621 ( 0.000 2.932 0.000) 2.932 12.797 ( 0.000 1.073 0.000) 1.073 13.104 ( 0.000 -0.064 0.000) 0.064 13.255 ( 0.000 -13.350 0.000) 13.350 13.424 ( 0.000 -10.268 0.000) 10.268 13.460 ( 0.000 -10.283 0.000) 10.283 15.354 ( 0.000 -6.417 0.000) 6.417 15.586 ( 0.000 -6.559 0.000) 6.559 15.757 ( 0.000 -5.690 0.000) 5.690 15.827 ( 0.000 -8.264 0.000) 8.264 15.917 ( 0.000 -9.898 0.000) 9.898 16.130 ( 0.000 -9.019 0.000) 9.019 16.134 ( 0.000 -8.553 0.000) 8.553 16.189 ( 0.000 -10.311 0.000) 10.311 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 3.607 10.720 0.000) 11.311 2.227 ( 0.954 10.488 0.000) 10.531 2.412 ( -1.447 1.298 0.000) 1.944 2.426 ( 1.952 2.693 0.000) 3.326 2.472 ( -1.989 4.153 0.000) 4.605 2.580 ( -2.471 -1.231 0.000) 2.761 2.755 ( -2.891 -1.532 0.000) 3.271 2.826 ( -2.161 5.063 0.000) 5.505 2.954 ( 7.092 2.019 0.000) 7.374 3.118 ( 3.511 8.756 0.000) 9.434 3.240 ( -3.864 3.862 0.000) 5.463 3.269 ( -2.468 8.457 0.000) 8.810 3.405 ( 1.661 2.329 0.000) 2.861 3.439 ( 2.240 2.420 0.000) 3.298 3.703 ( 0.612 -0.297 0.000) 0.680 3.709 ( -3.640 4.433 0.000) 5.736 3.821 ( -10.284 0.553 0.000) 10.299 3.843 ( -4.026 -0.086 0.000) 4.027 3.854 ( 4.082 3.251 0.000) 5.219 4.206 ( -3.983 5.231 0.000) 6.575 4.264 ( -0.249 8.839 0.000) 8.843 4.380 ( 9.056 4.161 0.000) 9.966 4.428 ( 4.125 -3.265 0.000) 5.261 4.571 ( -3.586 1.046 0.000) 3.735 4.595 ( -3.809 8.532 0.000) 9.344 4.678 ( -0.287 6.715 0.000) 6.721 4.762 ( 6.375 1.376 0.000) 6.522 4.865 ( 2.467 -4.853 0.000) 5.444 4.981 ( -0.151 11.919 0.000) 11.920 5.189 ( -3.322 18.539 0.000) 18.835 5.222 ( 1.834 13.868 0.000) 13.988 5.340 ( -0.948 16.557 0.000) 16.584 5.435 ( 1.531 20.545 0.000) 20.602 5.580 ( -2.210 18.352 0.000) 18.485 5.612 ( 1.521 18.372 0.000) 18.434 5.666 ( -0.159 12.225 0.000) 12.226 6.943 ( 1.407 5.432 0.000) 5.612 6.979 ( 2.333 8.728 0.000) 9.034 7.167 ( -5.444 3.548 0.000) 6.498 7.293 ( -6.472 -2.514 0.000) 6.943 7.464 ( 1.511 -11.419 0.000) 11.519 7.508 ( 0.697 -7.820 0.000) 7.851 7.734 ( 7.418 -8.553 0.000) 11.322 7.917 ( 0.108 -10.996 0.000) 10.997 8.930 ( 1.634 5.020 0.000) 5.279 9.085 ( 6.388 7.075 0.000) 9.533 9.244 ( -7.595 2.025 0.000) 7.861 9.505 ( 5.445 -2.711 0.000) 6.082 9.555 ( -4.874 9.304 0.000) 10.503 9.760 ( 8.437 -1.398 0.000) 8.552 9.777 ( -2.218 2.748 0.000) 3.532 9.890 ( 7.976 -2.769 0.000) 8.443 9.990 ( 8.941 -3.660 0.000) 9.662 10.083 ( 10.810 6.783 0.000) 12.762 10.337 ( 1.565 5.159 0.000) 5.391 10.772 ( -4.815 7.178 0.000) 8.643 10.789 ( 0.394 6.349 0.000) 6.361 10.881 ( -6.428 -1.468 0.000) 6.593 10.978 ( 1.870 15.341 0.000) 15.455 11.339 ( -7.409 -6.808 0.000) 10.062 11.491 ( -18.737 -10.138 0.000) 21.304 11.545 ( -10.038 4.113 0.000) 10.848 11.836 ( 0.931 7.972 0.000) 8.026 11.932 ( -4.736 4.088 0.000) 6.256 11.954 ( -0.196 0.179 0.000) 0.266 12.120 ( 3.819 -2.402 0.000) 4.512 12.126 ( 3.631 -3.114 0.000) 4.783 12.282 ( -2.907 -4.401 0.000) 5.275 12.295 ( 3.333 3.966 0.000) 5.181 12.623 ( 12.319 3.137 0.000) 12.712 12.640 ( 0.552 -1.864 0.000) 1.944 12.738 ( -3.187 4.533 0.000) 5.542 13.085 ( -2.213 -0.907 0.000) 2.392 13.186 ( -6.550 -11.389 0.000) 13.139 13.431 ( 0.696 -10.790 0.000) 10.812 13.466 ( 0.294 -11.504 0.000) 11.508 15.398 ( 3.952 -6.361 0.000) 7.489 15.559 ( -1.936 -6.758 0.000) 7.030 15.750 ( -0.935 -6.926 0.000) 6.989 15.780 ( -3.699 -8.727 0.000) 9.479 15.941 ( 1.807 -8.743 0.000) 8.928 16.092 ( -2.855 -8.293 0.000) 8.770 16.175 ( 3.929 -8.639 0.000) 9.490 16.244 ( 3.682 -10.296 0.000) 10.935 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 1.922 8.389 0.000) 8.606 2.288 ( 0.343 8.935 0.000) 8.941 2.377 ( 2.084 4.377 0.000) 4.848 2.458 ( -1.918 2.905 0.000) 3.481 2.492 ( 2.450 1.958 0.000) 3.136 2.528 ( -1.235 1.821 0.000) 2.200 2.672 ( -2.050 -0.314 0.000) 2.074 2.738 ( -6.022 1.138 0.000) 6.129 3.111 ( 7.259 -0.903 0.000) 7.315 3.192 ( -1.817 2.896 0.000) 3.419 3.241 ( 5.578 8.506 0.000) 10.171 3.251 ( 1.435 13.201 0.000) 13.278 3.423 ( 0.581 -0.798 0.000) 0.987 3.486 ( 2.365 2.349 0.000) 3.333 3.529 ( -8.424 -0.520 0.000) 8.440 3.654 ( -8.156 0.347 0.000) 8.164 3.712 ( -1.450 4.465 0.000) 4.695 3.740 ( -1.901 2.708 0.000) 3.309 4.006 ( 8.067 4.370 0.000) 9.174 4.133 ( -4.867 7.468 0.000) 8.914 4.311 ( 5.187 11.273 0.000) 12.409 4.437 ( -6.758 13.479 0.000) 15.078 4.489 ( 2.141 0.174 0.000) 2.148 4.510 ( 1.014 9.249 0.000) 9.304 4.571 ( 2.397 -7.189 0.000) 7.578 4.644 ( -3.243 0.086 0.000) 3.244 4.882 ( 4.602 -5.498 0.000) 7.170 4.913 ( 1.342 -8.927 0.000) 9.028 5.008 ( 3.336 19.555 0.000) 19.837 5.099 ( -5.315 20.261 0.000) 20.946 5.263 ( 2.206 12.055 0.000) 12.256 5.308 ( -2.217 11.918 0.000) 12.122 5.473 ( 2.313 21.227 0.000) 21.353 5.525 ( -3.043 20.453 0.000) 20.678 5.644 ( 1.431 18.030 0.000) 18.087 5.662 ( -0.450 16.058 0.000) 16.065 6.988 ( 3.259 5.045 0.000) 6.007 7.045 ( 4.412 5.260 0.000) 6.865 7.066 ( -4.665 5.049 0.000) 6.874 7.154 ( -6.730 0.018 0.000) 6.730 7.498 ( 1.745 -10.555 0.000) 10.698 7.520 ( -0.240 -9.145 0.000) 9.148 7.853 ( 4.467 -7.865 0.000) 9.045 7.908 ( -1.358 -9.233 0.000) 9.332 8.990 ( 4.536 5.252 0.000) 6.940 9.101 ( -6.629 5.012 0.000) 8.310 9.250 ( 9.486 5.244 0.000) 10.839 9.428 ( -8.192 7.745 0.000) 11.274 9.605 ( 4.968 0.239 0.000) 4.974 9.702 ( -4.790 1.799 0.000) 5.116 9.957 ( 10.767 -7.110 0.000) 12.903 10.089 ( 5.215 -6.024 0.000) 7.968 10.112 ( 5.344 -2.570 0.000) 5.930 10.243 ( -0.829 5.320 0.000) 5.384 10.465 ( 14.653 8.091 0.000) 16.738 10.671 ( -3.082 -3.172 0.000) 4.423 10.771 ( -3.412 -1.095 0.000) 3.583 10.775 ( -6.909 12.496 0.000) 14.279 11.006 ( 2.788 11.145 0.000) 11.489 11.150 ( -12.629 2.976 0.000) 12.975 11.209 ( -2.228 -6.740 0.000) 7.099 11.317 ( -11.846 -2.285 0.000) 12.065 11.849 ( -0.288 8.035 0.000) 8.040 11.860 ( -2.052 6.080 0.000) 6.417 11.990 ( 5.551 -0.860 0.000) 5.617 12.129 ( -6.191 -1.308 0.000) 6.328 12.181 ( 2.614 2.584 0.000) 3.676 12.211 ( -1.017 -0.182 0.000) 1.033 12.404 ( 6.288 1.748 0.000) 6.527 12.538 ( -7.482 2.260 0.000) 7.816 12.824 ( 8.800 -3.804 0.000) 9.587 12.846 ( 9.827 -0.257 0.000) 9.830 13.008 ( -5.740 -1.187 0.000) 5.861 13.021 ( -9.610 -8.085 0.000) 12.559 13.448 ( 0.954 -11.729 0.000) 11.768 13.464 ( -0.539 -12.223 0.000) 12.235 15.480 ( 3.748 -6.467 0.000) 7.474 15.528 ( -1.447 -6.928 0.000) 7.078 15.723 ( -1.607 -8.974 0.000) 9.117 15.724 ( -1.330 -8.197 0.000) 8.304 15.978 ( 2.197 -7.725 0.000) 8.032 16.031 ( -3.182 -7.674 0.000) 8.307 16.257 ( 3.557 -9.078 0.000) 9.750 16.290 ( 0.473 -9.770 0.000) 9.781 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 0.000 4.993 0.000) 4.993 2.381 ( 0.000 5.553 0.000) 5.553 2.416 ( 0.000 -0.289 0.000) 0.289 2.496 ( 0.000 5.013 0.000) 5.013 2.552 ( 0.000 -2.467 0.000) 2.467 2.607 ( 0.000 4.518 0.000) 4.518 2.733 ( 0.000 -2.227 0.000) 2.227 2.848 ( 0.000 0.061 0.000) 0.061 3.091 ( 0.000 10.035 0.000) 10.035 3.262 ( 0.000 6.520 0.000) 6.520 3.290 ( 0.000 0.710 0.000) 0.710 3.389 ( 0.000 -0.526 0.000) 0.526 3.393 ( 0.000 4.256 0.000) 4.256 3.623 ( 0.000 11.554 0.000) 11.554 3.643 ( 0.000 0.587 0.000) 0.587 3.761 ( 0.000 -2.120 0.000) 2.120 3.832 ( 0.000 -3.077 0.000) 3.077 3.879 ( 0.000 3.905 0.000) 3.905 3.988 ( 0.000 -4.861 0.000) 4.861 4.126 ( 0.000 -6.812 0.000) 6.812 4.143 ( 0.000 -8.986 0.000) 8.986 4.246 ( 0.000 -1.516 0.000) 1.516 4.427 ( 0.000 -10.533 0.000) 10.533 4.551 ( 0.000 8.118 0.000) 8.118 4.634 ( 0.000 -7.810 0.000) 7.810 4.712 ( 0.000 2.527 0.000) 2.527 4.872 ( 0.000 9.126 0.000) 9.126 4.918 ( 0.000 5.652 0.000) 5.652 5.370 ( 0.000 20.565 0.000) 20.565 5.476 ( 0.000 11.614 0.000) 11.614 5.512 ( 0.000 11.277 0.000) 11.277 5.661 ( 0.000 11.430 0.000) 11.430 5.756 ( 0.000 13.543 0.000) 13.543 5.864 ( 0.000 8.487 0.000) 8.487 5.917 ( 0.000 13.556 0.000) 13.556 5.918 ( 0.000 13.518 0.000) 13.518 7.013 ( 0.000 2.424 0.000) 2.424 7.116 ( 0.000 2.474 0.000) 2.474 7.270 ( 0.000 1.485 0.000) 1.485 7.313 ( 0.000 -5.643 0.000) 5.643 7.315 ( 0.000 1.399 0.000) 1.399 7.388 ( 0.000 -4.619 0.000) 4.619 7.390 ( 0.000 -10.358 0.000) 10.358 7.718 ( 0.000 -7.740 0.000) 7.740 9.034 ( 0.000 7.020 0.000) 7.020 9.162 ( 0.000 5.634 0.000) 5.634 9.343 ( 0.000 -1.670 0.000) 1.670 9.467 ( 0.000 7.263 0.000) 7.263 9.534 ( 0.000 -7.646 0.000) 7.646 9.839 ( 0.000 -1.943 0.000) 1.943 9.852 ( 0.000 6.170 0.000) 6.170 9.897 ( 0.000 14.766 0.000) 14.766 9.957 ( 0.000 8.522 0.000) 8.522 10.052 ( 0.000 4.294 0.000) 4.294 10.475 ( 0.000 8.899 0.000) 8.899 10.660 ( 0.000 -15.751 0.000) 15.751 10.896 ( 0.000 3.207 0.000) 3.207 11.170 ( 0.000 13.773 0.000) 13.773 11.198 ( 0.000 9.367 0.000) 9.367 11.283 ( 0.000 -25.673 0.000) 25.673 11.332 ( 0.000 -0.954 0.000) 0.954 11.812 ( 0.000 2.561 0.000) 2.561 11.832 ( 0.000 -0.096 0.000) 0.096 11.936 ( 0.000 3.947 0.000) 3.947 11.958 ( 0.000 -7.590 0.000) 7.590 11.966 ( 0.000 -2.603 0.000) 2.603 12.041 ( 0.000 0.186 0.000) 0.186 12.181 ( 0.000 -5.859 0.000) 5.859 12.518 ( 0.000 5.115 0.000) 5.115 12.537 ( 0.000 10.377 0.000) 10.377 12.720 ( 0.000 6.171 0.000) 6.171 12.864 ( 0.000 5.025 0.000) 5.025 13.014 ( 0.000 -11.089 0.000) 11.089 13.109 ( 0.000 -0.419 0.000) 0.419 13.225 ( 0.000 -10.041 0.000) 10.041 13.241 ( 0.000 -11.835 0.000) 11.835 15.281 ( 0.000 -0.819 0.000) 0.819 15.472 ( 0.000 -4.704 0.000) 4.704 15.593 ( 0.000 -8.980 0.000) 8.980 15.647 ( 0.000 -9.721 0.000) 9.721 15.821 ( 0.000 -1.520 0.000) 1.520 15.984 ( 0.000 -6.634 0.000) 6.634 15.985 ( 0.000 -5.629 0.000) 5.629 16.019 ( 0.000 -6.853 0.000) 6.853 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 3.106 4.317 0.000) 5.318 2.385 ( 0.227 5.642 0.000) 5.646 2.424 ( 0.507 0.239 0.000) 0.561 2.485 ( -0.040 3.321 0.000) 3.321 2.551 ( -0.209 -1.385 0.000) 1.401 2.563 ( -3.256 5.392 0.000) 6.299 2.713 ( -2.623 -2.666 0.000) 3.740 2.850 ( -2.388 -1.933 0.000) 3.073 3.046 ( -0.379 6.729 0.000) 6.739 3.273 ( 2.550 5.829 0.000) 6.362 3.326 ( -3.488 5.739 0.000) 6.716 3.358 ( 3.660 0.120 0.000) 3.662 3.477 ( 4.743 1.172 0.000) 4.886 3.534 ( -4.450 10.167 0.000) 11.098 3.664 ( -0.482 -3.179 0.000) 3.216 3.770 ( -1.660 1.281 0.000) 2.097 3.799 ( -9.270 -1.007 0.000) 9.325 3.821 ( -1.694 0.018 0.000) 1.694 3.926 ( 4.882 4.784 0.000) 6.835 4.209 ( 6.460 -6.864 0.000) 9.426 4.227 ( -2.052 -2.192 0.000) 3.002 4.278 ( 6.991 -9.803 0.000) 12.040 4.489 ( 6.374 -8.704 0.000) 10.788 4.549 ( -0.400 3.701 0.000) 3.723 4.631 ( 0.215 -3.075 0.000) 3.082 4.730 ( 1.324 0.144 0.000) 1.331 4.816 ( -5.262 9.098 0.000) 10.510 4.855 ( -5.789 4.772 0.000) 7.502 5.369 ( 0.143 19.176 0.000) 19.176 5.484 ( -0.153 11.401 0.000) 11.402 5.497 ( -0.787 11.732 0.000) 11.759 5.617 ( -3.646 10.516 0.000) 11.130 5.781 ( 2.454 14.222 0.000) 14.432 5.901 ( 2.849 9.969 0.000) 10.368 5.910 ( -0.889 14.004 0.000) 14.032 5.933 ( 1.324 13.342 0.000) 13.407 7.022 ( 0.945 2.837 0.000) 2.990 7.137 ( 1.890 3.751 0.000) 4.200 7.214 ( -6.134 -0.673 0.000) 6.171 7.251 ( -2.572 0.540 0.000) 2.628 7.319 ( 0.464 -0.786 0.000) 0.912 7.342 ( 1.097 -8.082 0.000) 8.156 7.562 ( 8.062 -8.478 0.000) 11.699 7.721 ( 0.251 -8.522 0.000) 8.526 9.055 ( 2.358 7.667 0.000) 8.021 9.204 ( 4.421 5.306 0.000) 6.906 9.365 ( -2.428 8.481 0.000) 8.822 9.465 ( 5.410 -1.406 0.000) 5.590 9.596 ( 6.067 -7.694 0.000) 9.799 9.802 ( -8.138 11.203 0.000) 13.847 9.881 ( 3.266 0.861 0.000) 3.378 9.915 ( -3.573 8.651 0.000) 9.360 9.933 ( 6.973 -1.080 0.000) 7.057 10.198 ( 11.698 3.796 0.000) 12.298 10.474 ( -0.815 6.862 0.000) 6.910 10.606 ( -4.192 -12.638 0.000) 13.315 10.841 ( -5.640 -1.705 0.000) 5.892 11.093 ( -3.897 7.596 0.000) 8.537 11.233 ( -3.075 -13.363 0.000) 13.712 11.238 ( -5.710 10.578 0.000) 12.021 11.276 ( 0.651 4.483 0.000) 4.530 11.612 ( -12.075 3.656 0.000) 12.617 11.876 ( 0.402 -2.520 0.000) 2.552 11.938 ( -1.623 -2.237 0.000) 2.764 11.999 ( -0.197 3.906 0.000) 3.911 12.030 ( 6.119 -6.048 0.000) 8.603 12.080 ( 6.261 -0.352 0.000) 6.271 12.151 ( -3.488 -6.848 0.000) 7.686 12.433 ( -1.031 8.259 0.000) 8.323 12.681 ( -3.747 4.569 0.000) 5.909 12.710 ( 9.706 4.991 0.000) 10.914 12.839 ( -2.071 5.772 0.000) 6.132 12.974 ( -3.846 -9.951 0.000) 10.668 13.087 ( -2.314 -0.205 0.000) 2.323 13.221 ( -0.284 -10.649 0.000) 10.652 13.238 ( -0.362 -11.718 0.000) 11.723 15.316 ( 3.171 -1.718 0.000) 3.607 15.445 ( -2.000 -4.506 0.000) 4.930 15.579 ( -1.411 -8.950 0.000) 9.061 15.601 ( -3.608 -9.027 0.000) 9.721 15.849 ( 2.181 -1.710 0.000) 2.771 15.966 ( -1.575 -4.590 0.000) 4.853 16.022 ( 3.553 -6.856 0.000) 7.722 16.065 ( 3.430 -7.684 0.000) 8.415 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 0.534 5.379 0.000) 5.405 2.413 ( -1.469 3.141 0.000) 3.467 2.454 ( 4.613 3.667 0.000) 5.893 2.507 ( 0.683 2.347 0.000) 2.445 2.527 ( -0.097 2.315 0.000) 2.317 2.541 ( -0.918 -0.370 0.000) 0.990 2.656 ( -0.861 -1.480 0.000) 1.713 2.737 ( -7.126 -1.347 0.000) 7.252 3.116 ( 5.608 1.830 0.000) 5.899 3.218 ( -4.702 1.646 0.000) 4.981 3.381 ( 1.147 -3.536 0.000) 3.717 3.432 ( 8.684 8.329 0.000) 12.033 3.468 ( -4.933 -4.287 0.000) 6.536 3.528 ( 1.749 14.371 0.000) 14.477 3.586 ( -2.595 7.745 0.000) 8.168 3.650 ( -9.083 1.032 0.000) 9.141 3.776 ( 2.665 -0.135 0.000) 2.668 3.807 ( -0.385 3.301 0.000) 3.324 4.045 ( 6.482 2.496 0.000) 6.946 4.159 ( -4.871 -0.879 0.000) 4.949 4.340 ( 4.910 -7.639 0.000) 9.080 4.360 ( 2.011 -11.296 0.000) 11.474 4.553 ( 2.346 -0.892 0.000) 2.510 4.619 ( 3.542 -6.671 0.000) 7.553 4.653 ( 1.833 4.828 0.000) 5.165 4.687 ( -5.954 9.307 0.000) 11.048 4.739 ( -0.876 -3.877 0.000) 3.975 4.746 ( -3.956 1.652 0.000) 4.287 5.387 ( 1.869 16.369 0.000) 16.475 5.438 ( -3.050 13.631 0.000) 13.968 5.512 ( 1.279 10.696 0.000) 10.772 5.550 ( -2.795 10.237 0.000) 10.612 5.836 ( 2.792 15.131 0.000) 15.386 5.882 ( -1.898 14.957 0.000) 15.077 5.947 ( 1.541 11.590 0.000) 11.692 5.955 ( 0.620 12.659 0.000) 12.674 7.051 ( 2.084 2.678 0.000) 3.394 7.110 ( -4.148 0.682 0.000) 4.203 7.179 ( 2.168 5.974 0.000) 6.356 7.216 ( -1.647 5.310 0.000) 5.560 7.333 ( 0.920 -5.330 0.000) 5.408 7.349 ( -0.438 -7.928 0.000) 7.940 7.680 ( 3.906 -9.400 0.000) 10.179 7.720 ( -0.618 -9.542 0.000) 9.562 9.130 ( 5.118 8.807 0.000) 10.186 9.237 ( -4.872 8.815 0.000) 10.072 9.381 ( 9.204 7.612 0.000) 11.944 9.600 ( -11.605 9.565 0.000) 15.038 9.636 ( 9.419 1.871 0.000) 9.603 9.737 ( 4.629 -4.594 0.000) 6.522 9.833 ( -2.446 0.978 0.000) 2.634 9.912 ( -3.004 -9.955 0.000) 10.398 10.085 ( 10.518 -1.019 0.000) 10.568 10.319 ( -8.852 -0.036 0.000) 8.852 10.479 ( 7.189 -5.939 0.000) 9.325 10.555 ( -1.152 -7.343 0.000) 7.433 10.775 ( 3.210 4.106 0.000) 5.212 10.966 ( -11.902 -0.646 0.000) 11.919 11.145 ( 2.729 15.573 0.000) 15.811 11.219 ( 0.417 0.977 0.000) 1.062 11.292 ( -0.435 7.332 0.000) 7.345 11.362 ( -11.628 7.863 0.000) 14.037 11.924 ( 4.708 -5.342 0.000) 7.121 11.927 ( 0.749 1.763 0.000) 1.916 11.961 ( -2.404 4.100 0.000) 4.753 12.044 ( -6.804 -6.739 0.000) 9.576 12.148 ( 4.595 -5.172 0.000) 6.918 12.174 ( 2.099 -2.031 0.000) 2.921 12.476 ( 4.652 5.725 0.000) 7.377 12.584 ( -5.811 3.785 0.000) 6.935 12.818 ( 0.721 2.104 0.000) 2.224 12.861 ( 0.473 -1.847 0.000) 1.906 12.906 ( 2.715 -1.284 0.000) 3.003 13.017 ( -4.934 0.690 0.000) 4.982 13.220 ( 0.267 -11.392 0.000) 11.395 13.229 ( -0.515 -11.587 0.000) 11.598 15.381 ( 2.806 -3.463 0.000) 4.457 15.415 ( -1.154 -4.360 0.000) 4.510 15.544 ( -1.599 -8.463 0.000) 8.613 15.547 ( -1.457 -8.704 0.000) 8.825 15.890 ( 1.986 -1.842 0.000) 2.709 15.929 ( -2.054 -2.902 0.000) 3.555 16.093 ( 2.851 -7.559 0.000) 8.078 16.113 ( 0.906 -8.034 0.000) 8.084 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 0.000 1.249 0.000) 1.249 2.409 ( 0.000 -0.386 0.000) 0.386 2.458 ( 0.000 2.832 0.000) 2.832 2.506 ( 0.000 -2.269 0.000) 2.269 2.596 ( 0.000 4.754 0.000) 4.754 2.677 ( 0.000 -3.495 0.000) 3.495 2.708 ( 0.000 5.524 0.000) 5.524 2.807 ( 0.000 -3.997 0.000) 3.997 3.259 ( 0.000 6.136 0.000) 6.136 3.312 ( 0.000 0.367 0.000) 0.367 3.336 ( 0.000 2.003 0.000) 2.003 3.368 ( 0.000 -1.438 0.000) 1.438 3.525 ( 0.000 7.725 0.000) 7.725 3.636 ( 0.000 -2.491 0.000) 2.491 3.730 ( 0.000 -0.537 0.000) 0.537 3.756 ( 0.000 -2.815 0.000) 2.815 3.824 ( 0.000 7.873 0.000) 7.873 3.900 ( 0.000 -2.055 0.000) 2.055 3.926 ( 0.000 -2.015 0.000) 2.015 3.974 ( 0.000 -7.886 0.000) 7.886 4.061 ( 0.000 3.956 0.000) 3.956 4.218 ( 0.000 -10.064 0.000) 10.064 4.276 ( 0.000 4.954 0.000) 4.954 4.425 ( 0.000 -9.362 0.000) 9.362 4.703 ( 0.000 4.188 0.000) 4.188 4.741 ( 0.000 0.017 0.000) 0.017 4.997 ( 0.000 3.387 0.000) 3.387 5.005 ( 0.000 2.394 0.000) 2.394 5.637 ( 0.000 4.602 0.000) 4.602 5.653 ( 0.000 3.089 0.000) 3.089 5.683 ( 0.000 10.676 0.000) 10.676 5.783 ( 0.000 0.619 0.000) 0.619 5.943 ( 0.000 5.440 0.000) 5.440 5.973 ( 0.000 2.241 0.000) 2.241 6.105 ( 0.000 5.066 0.000) 5.066 6.106 ( 0.000 5.011 0.000) 5.011 7.038 ( 0.000 0.910 0.000) 0.910 7.074 ( 0.000 -2.993 0.000) 2.993 7.203 ( 0.000 -2.876 0.000) 2.876 7.227 ( 0.000 -5.241 0.000) 5.241 7.303 ( 0.000 1.757 0.000) 1.757 7.340 ( 0.000 -1.914 0.000) 1.914 7.453 ( 0.000 8.340 0.000) 8.340 7.592 ( 0.000 -5.964 0.000) 5.964 9.190 ( 0.000 8.589 0.000) 8.589 9.248 ( 0.000 3.388 0.000) 3.388 9.304 ( 0.000 -2.363 0.000) 2.363 9.365 ( 0.000 -9.021 0.000) 9.021 9.632 ( 0.000 8.448 0.000) 8.448 9.772 ( 0.000 -5.340 0.000) 5.340 10.054 ( 0.000 13.555 0.000) 13.555 10.088 ( 0.000 4.216 0.000) 4.216 10.115 ( 0.000 1.399 0.000) 1.399 10.229 ( 0.000 18.573 0.000) 18.573 10.349 ( 0.000 -15.666 0.000) 15.666 10.554 ( 0.000 -7.594 0.000) 7.594 10.885 ( 0.000 -8.079 0.000) 8.079 10.900 ( 0.000 -2.541 0.000) 2.541 11.241 ( 0.000 0.897 0.000) 0.897 11.276 ( 0.000 -0.883 0.000) 0.883 11.539 ( 0.000 14.425 0.000) 14.425 11.787 ( 0.000 -10.460 0.000) 10.460 11.835 ( 0.000 0.510 0.000) 0.510 11.841 ( 0.000 0.278 0.000) 0.278 11.963 ( 0.000 3.335 0.000) 3.335 11.995 ( 0.000 2.244 0.000) 2.244 12.029 ( 0.000 -1.239 0.000) 1.239 12.064 ( 0.000 -5.960 0.000) 5.960 12.641 ( 0.000 7.343 0.000) 7.343 12.745 ( 0.000 8.604 0.000) 8.604 12.822 ( 0.000 -6.268 0.000) 6.268 12.857 ( 0.000 7.863 0.000) 7.863 12.973 ( 0.000 5.537 0.000) 5.537 13.000 ( 0.000 -12.400 0.000) 12.400 13.030 ( 0.000 -9.544 0.000) 9.544 13.068 ( 0.000 -3.717 0.000) 3.717 15.323 ( 0.000 4.897 0.000) 4.897 15.415 ( 0.000 -0.719 0.000) 0.719 15.454 ( 0.000 -4.692 0.000) 4.692 15.461 ( 0.000 -8.667 0.000) 8.667 15.821 ( 0.000 1.414 0.000) 1.414 15.876 ( 0.000 -4.204 0.000) 4.204 15.912 ( 0.000 -1.639 0.000) 1.639 15.923 ( 0.000 -2.756 0.000) 2.756 ======================= Grid point 36 (23/72) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 1.815 0.934 0.000) 2.042 2.425 ( 1.697 -0.189 0.000) 1.707 2.462 ( 0.503 2.712 0.000) 2.758 2.505 ( 0.133 -1.652 0.000) 1.658 2.576 ( -1.463 3.880 0.000) 4.147 2.652 ( -2.361 -3.544 0.000) 4.259 2.677 ( -3.017 5.822 0.000) 6.557 2.782 ( -3.060 -4.622 0.000) 5.544 3.187 ( -3.287 7.092 0.000) 7.817 3.308 ( -1.960 -4.783 0.000) 5.169 3.362 ( 0.881 4.135 0.000) 4.228 3.422 ( 0.268 0.400 0.000) 0.482 3.487 ( 1.678 2.656 0.000) 3.142 3.581 ( -3.133 -5.065 0.000) 5.956 3.724 ( 1.429 6.720 0.000) 6.870 3.769 ( -0.539 -0.216 0.000) 0.580 3.851 ( -1.458 6.486 0.000) 6.648 3.864 ( 1.264 4.590 0.000) 4.761 3.992 ( 4.215 -3.399 0.000) 5.415 4.030 ( 5.656 -10.097 0.000) 11.573 4.135 ( 4.808 1.254 0.000) 4.969 4.254 ( -1.953 5.224 0.000) 5.577 4.287 ( 6.246 -10.356 0.000) 12.094 4.408 ( -1.397 -9.407 0.000) 9.510 4.712 ( 1.044 3.821 0.000) 3.961 4.746 ( 0.365 0.167 0.000) 0.401 4.938 ( -5.434 3.260 0.000) 6.337 4.943 ( -5.634 2.662 0.000) 6.232 5.640 ( -0.013 4.264 0.000) 4.264 5.648 ( -0.437 3.558 0.000) 3.585 5.654 ( -2.216 9.352 0.000) 9.611 5.734 ( -3.660 1.085 0.000) 3.818 5.985 ( 3.569 6.268 0.000) 7.213 6.025 ( 3.913 2.246 0.000) 4.511 6.105 ( -0.111 5.432 0.000) 5.434 6.114 ( 0.651 4.613 0.000) 4.659 7.062 ( 2.198 1.703 0.000) 2.781 7.107 ( 3.103 -3.035 0.000) 4.340 7.178 ( -2.786 -0.838 0.000) 2.910 7.210 ( 0.529 -4.117 0.000) 4.150 7.315 ( 1.124 3.976 0.000) 4.132 7.415 ( 5.109 -6.236 0.000) 8.062 7.429 ( -2.261 7.860 0.000) 8.179 7.574 ( -1.655 -6.927 0.000) 7.122 9.225 ( 3.672 9.401 0.000) 10.093 9.303 ( 5.928 4.749 0.000) 7.596 9.387 ( 8.338 -3.580 0.000) 9.074 9.416 ( 5.063 -9.749 0.000) 10.986 9.586 ( -4.019 10.427 0.000) 11.174 9.780 ( -0.667 -8.608 0.000) 8.634 10.032 ( -6.158 9.618 0.000) 11.421 10.072 ( 2.112 11.980 0.000) 12.165 10.090 ( -6.634 6.757 0.000) 9.470 10.236 ( 4.494 3.232 0.000) 5.535 10.340 ( -0.315 -14.163 0.000) 14.166 10.446 ( -10.077 -11.478 0.000) 15.274 10.851 ( 1.830 6.544 0.000) 6.795 11.020 ( 6.499 -9.227 0.000) 11.287 11.171 ( -5.356 4.912 0.000) 7.267 11.281 ( -1.024 -4.099 0.000) 4.225 11.543 ( 0.079 15.710 0.000) 15.710 11.706 ( -7.877 5.506 0.000) 9.611 11.808 ( -3.063 -4.418 0.000) 5.376 11.822 ( 2.897 -11.925 0.000) 12.272 11.965 ( 0.418 2.805 0.000) 2.836 12.048 ( -1.264 -4.512 0.000) 4.686 12.056 ( 1.342 1.942 0.000) 2.360 12.078 ( 4.483 -0.372 0.000) 4.499 12.606 ( -1.368 9.098 0.000) 9.200 12.778 ( -0.461 -6.785 0.000) 6.800 12.804 ( -4.649 7.844 0.000) 9.119 12.839 ( 4.159 5.129 0.000) 6.603 12.940 ( -4.403 1.117 0.000) 4.542 13.013 ( 0.975 -10.713 0.000) 10.758 13.016 ( 0.167 -5.362 0.000) 5.365 13.063 ( -1.141 -3.792 0.000) 3.960 15.333 ( 0.880 3.345 0.000) 3.459 15.394 ( -1.706 -0.399 0.000) 1.752 15.438 ( -1.438 -4.891 0.000) 5.098 15.439 ( -1.844 -7.139 0.000) 7.373 15.849 ( 2.337 1.559 0.000) 2.810 15.909 ( 2.929 -4.509 0.000) 5.377 15.915 ( 0.193 -0.498 0.000) 0.534 15.949 ( 2.086 -3.956 0.000) 4.472 ======================= Grid point 37 (24/72) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 1.726 1.507 0.000) 2.291 2.471 ( 0.017 3.126 0.000) 3.127 2.476 ( 3.154 -0.669 0.000) 3.224 2.518 ( 0.060 -1.742 0.000) 1.743 2.559 ( 0.439 2.766 0.000) 2.801 2.605 ( -3.739 4.634 0.000) 5.955 2.614 ( 0.127 -2.628 0.000) 2.631 2.687 ( -5.782 -3.511 0.000) 6.764 3.184 ( 2.813 4.821 0.000) 5.581 3.274 ( -5.859 4.022 0.000) 7.106 3.289 ( 1.269 -5.438 0.000) 5.584 3.369 ( -6.163 -5.304 0.000) 8.131 3.565 ( 7.612 6.028 0.000) 9.709 3.673 ( 7.219 -3.744 0.000) 8.132 3.695 ( -4.694 4.101 0.000) 6.233 3.765 ( -1.543 0.744 0.000) 1.713 3.841 ( 0.144 11.133 0.000) 11.134 3.855 ( -1.177 10.025 0.000) 10.094 4.070 ( 3.576 -8.387 0.000) 9.117 4.113 ( 0.603 -12.558 0.000) 12.573 4.208 ( 2.297 4.194 0.000) 4.782 4.225 ( -0.404 6.320 0.000) 6.333 4.395 ( 3.199 -11.731 0.000) 12.160 4.400 ( 0.999 -10.131 0.000) 10.180 4.747 ( 2.607 2.951 0.000) 3.938 4.757 ( 1.203 1.658 0.000) 2.048 4.817 ( -5.578 3.640 0.000) 6.661 4.828 ( -5.456 2.503 0.000) 6.002 5.622 ( -0.709 7.288 0.000) 7.322 5.626 ( -0.882 5.373 0.000) 5.445 5.650 ( 0.481 2.969 0.000) 3.008 5.674 ( -2.198 1.983 0.000) 2.960 6.053 ( 3.018 6.663 0.000) 7.315 6.092 ( 2.587 2.810 0.000) 3.820 6.095 ( -1.202 6.230 0.000) 6.345 6.120 ( -0.338 3.692 0.000) 3.707 7.107 ( 1.999 3.095 0.000) 3.685 7.138 ( -1.511 2.527 0.000) 2.944 7.176 ( 3.302 -3.830 0.000) 5.057 7.215 ( -0.515 -5.297 0.000) 5.322 7.338 ( 1.357 6.975 0.000) 7.105 7.378 ( -2.644 7.316 0.000) 7.779 7.496 ( 2.952 -8.947 0.000) 9.421 7.539 ( -1.834 -8.796 0.000) 8.986 9.327 ( 6.328 10.871 0.000) 12.579 9.432 ( -0.262 10.279 0.000) 10.282 9.530 ( 6.036 6.213 0.000) 8.663 9.545 ( 7.353 -10.999 0.000) 13.231 9.621 ( 13.902 -3.535 0.000) 14.344 9.715 ( -5.017 -9.422 0.000) 10.675 9.804 ( -14.301 9.839 0.000) 17.359 9.915 ( -12.961 1.230 0.000) 13.019 10.139 ( 4.481 7.572 0.000) 8.798 10.249 ( -7.361 -2.142 0.000) 7.667 10.334 ( 3.067 -8.006 0.000) 8.573 10.350 ( 0.883 -12.265 0.000) 12.297 10.931 ( 5.668 10.729 0.000) 12.134 11.053 ( -6.478 8.864 0.000) 10.978 11.138 ( 5.530 -8.688 0.000) 10.299 11.231 ( -3.861 -6.699 0.000) 7.732 11.540 ( 0.139 16.862 0.000) 16.862 11.579 ( -4.409 12.232 0.000) 13.002 11.790 ( 1.648 -8.605 0.000) 8.762 11.843 ( -2.008 -13.169 0.000) 13.321 11.985 ( 2.181 3.837 0.000) 4.414 12.040 ( -2.572 4.027 0.000) 4.778 12.062 ( 3.136 -3.706 0.000) 4.855 12.117 ( -1.043 -3.613 0.000) 3.761 12.620 ( 2.831 8.513 0.000) 8.972 12.703 ( -5.170 7.959 0.000) 9.490 12.774 ( 1.354 -6.059 0.000) 6.208 12.839 ( -4.931 -2.727 0.000) 5.635 12.935 ( 4.766 2.516 0.000) 5.389 13.010 ( -2.336 -1.211 0.000) 2.631 13.028 ( 0.479 -7.783 0.000) 7.798 13.034 ( -0.602 -5.228 0.000) 5.263 15.351 ( 0.871 0.634 0.000) 1.078 15.367 ( -0.930 -0.294 0.000) 0.975 15.408 ( -0.933 -5.064 0.000) 5.149 15.410 ( -1.050 -4.759 0.000) 4.873 15.892 ( 1.791 1.988 0.000) 2.676 15.914 ( -0.451 1.346 0.000) 1.420 15.965 ( 2.166 -5.264 0.000) 5.692 15.980 ( 0.637 -5.266 0.000) 5.305 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 0.000 26.313) 26.313 0.594 ( 0.000 0.000 27.898) 27.898 1.029 ( 0.000 0.000 47.276) 47.276 1.442 ( 0.000 0.000 -11.840) 11.840 1.682 ( 0.000 0.000 -21.681) 21.681 1.955 ( 0.000 0.000 -0.325) 0.325 2.089 ( 0.000 0.000 -3.834) 3.834 2.144 ( 0.000 0.000 0.359) 0.359 2.190 ( 0.000 0.000 5.086) 5.086 2.283 ( 0.000 0.000 1.848) 1.848 2.380 ( 0.000 0.000 -0.044) 0.044 2.420 ( 0.000 0.000 11.782) 11.782 2.432 ( 0.000 0.000 4.775) 4.775 2.463 ( 0.000 0.000 -5.211) 5.211 2.479 ( 0.000 0.000 3.698) 3.698 2.633 ( 0.000 0.000 -1.837) 1.837 2.642 ( 0.000 0.000 -10.315) 10.315 2.817 ( 0.000 0.000 -10.350) 10.350 2.828 ( 0.000 0.000 -8.711) 8.711 2.861 ( 0.000 0.000 3.604) 3.604 2.995 ( 0.000 0.000 -1.872) 1.872 3.078 ( 0.000 0.000 -24.133) 24.133 3.188 ( 0.000 0.000 11.516) 11.516 3.661 ( 0.000 0.000 12.175) 12.175 4.024 ( 0.000 0.000 10.032) 10.032 4.137 ( 0.000 0.000 -11.530) 11.530 4.209 ( 0.000 0.000 7.653) 7.653 4.555 ( 0.000 0.000 -8.212) 8.212 4.734 ( 0.000 0.000 6.463) 6.463 4.894 ( 0.000 0.000 -7.524) 7.524 4.951 ( 0.000 0.000 0.961) 0.961 5.205 ( 0.000 0.000 -6.985) 6.985 5.262 ( 0.000 0.000 7.201) 7.201 5.436 ( 0.000 0.000 -0.382) 0.382 5.583 ( 0.000 0.000 2.789) 2.789 5.627 ( 0.000 0.000 -0.054) 0.054 6.729 ( 0.000 0.000 -1.635) 1.635 6.775 ( 0.000 0.000 -2.541) 2.541 7.403 ( 0.000 0.000 9.326) 9.326 7.468 ( 0.000 0.000 3.525) 3.525 7.584 ( 0.000 0.000 6.907) 6.907 7.850 ( 0.000 0.000 6.417) 6.417 8.067 ( 0.000 0.000 -9.867) 9.867 8.254 ( 0.000 0.000 -4.514) 4.514 8.384 ( 0.000 0.000 -0.826) 0.826 8.696 ( 0.000 0.000 2.633) 2.633 8.786 ( 0.000 0.000 0.134) 0.134 8.808 ( 0.000 0.000 -12.233) 12.233 8.919 ( 0.000 0.000 7.564) 7.564 9.090 ( 0.000 0.000 0.292) 0.292 9.657 ( 0.000 0.000 0.240) 0.240 9.909 ( 0.000 0.000 2.769) 2.769 9.963 ( 0.000 0.000 3.946) 3.946 9.965 ( 0.000 0.000 -8.066) 8.066 9.989 ( 0.000 0.000 -0.925) 0.925 10.313 ( 0.000 0.000 14.173) 14.173 10.336 ( 0.000 0.000 -12.337) 12.337 10.556 ( 0.000 0.000 2.733) 2.733 10.558 ( 0.000 0.000 2.694) 2.694 10.870 ( 0.000 0.000 -6.168) 6.168 11.187 ( 0.000 0.000 10.569) 10.569 11.383 ( 0.000 0.000 -5.201) 5.201 11.414 ( 0.000 0.000 -6.123) 6.123 11.584 ( 0.000 0.000 -4.431) 4.431 11.668 ( 0.000 0.000 5.130) 5.130 11.673 ( 0.000 0.000 4.424) 4.424 11.844 ( 0.000 0.000 -0.555) 0.555 11.888 ( 0.000 0.000 -1.749) 1.749 12.523 ( 0.000 0.000 1.580) 1.580 12.632 ( 0.000 0.000 -2.691) 2.691 13.010 ( 0.000 0.000 1.707) 1.707 13.126 ( 0.000 0.000 -2.397) 2.397 13.828 ( 0.000 0.000 3.171) 3.171 13.950 ( 0.000 0.000 -1.269) 1.269 14.478 ( 0.000 0.000 1.851) 1.851 14.625 ( 0.000 0.000 -3.894) 3.894 16.069 ( 0.000 0.000 0.688) 0.688 16.144 ( 0.000 0.000 -2.563) 2.563 16.250 ( 0.000 0.000 -0.004) 0.004 16.266 ( 0.000 0.000 -0.894) 0.894 16.975 ( 0.000 0.000 -0.770) 0.770 17.106 ( 0.000 0.000 -5.680) 5.680 17.181 ( 0.000 0.000 6.614) 6.614 17.308 ( 0.000 0.000 1.757) 1.757 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 17.147 0.000 18.841) 25.476 0.803 ( 17.542 0.000 19.762) 26.425 1.372 ( 30.904 0.000 34.195) 46.090 1.497 ( 5.119 0.000 -9.830) 11.083 1.727 ( 4.473 0.000 -19.739) 20.239 1.840 ( -10.909 0.000 1.126) 10.967 2.009 ( -6.456 0.000 -3.158) 7.187 2.082 ( -19.780 0.000 2.299) 19.914 2.167 ( -1.609 0.000 -3.750) 4.080 2.206 ( 1.067 0.000 2.953) 3.140 2.298 ( 0.694 0.000 -0.366) 0.784 2.374 ( -0.471 0.000 -0.700) 0.844 2.433 ( -1.538 0.000 -2.595) 3.016 2.541 ( 4.523 0.000 2.499) 5.167 2.567 ( 9.969 0.000 13.937) 17.136 2.659 ( 1.851 0.000 -0.191) 1.861 2.723 ( 0.603 0.000 -7.078) 7.103 2.863 ( 0.424 0.000 2.492) 2.527 2.887 ( 7.506 0.000 -8.061) 11.014 2.959 ( 10.713 0.000 -3.360) 11.228 2.979 ( -1.572 0.000 -1.790) 2.382 3.165 ( 5.009 0.000 -9.789) 10.996 3.214 ( 5.055 0.000 -3.501) 6.149 3.564 ( -7.830 0.000 7.593) 10.907 3.768 ( -18.587 0.000 16.130) 24.609 3.982 ( -11.120 0.000 -13.261) 17.306 4.242 ( -1.351 0.000 -3.417) 3.675 4.345 ( -20.174 0.000 -5.464) 20.901 4.664 ( -7.339 0.000 2.030) 7.615 4.914 ( 5.400 0.000 -1.368) 5.571 5.058 ( 7.399 0.000 1.272) 7.507 5.171 ( -7.275 0.000 6.081) 9.482 5.309 ( 6.046 0.000 -1.903) 6.339 5.418 ( -0.893 0.000 0.252) 0.928 5.685 ( 7.817 0.000 -0.139) 7.819 5.714 ( 6.481 0.000 -0.043) 6.481 6.608 ( -6.524 0.000 0.959) 6.594 6.774 ( -1.265 0.000 -6.102) 6.232 7.106 ( -12.177 0.000 10.926) 16.360 7.481 ( -4.763 0.000 -5.765) 7.478 7.880 ( 3.008 0.000 6.372) 7.047 7.917 ( 19.131 0.000 5.549) 19.919 8.150 ( 6.599 0.000 -3.706) 7.569 8.228 ( -4.136 0.000 2.763) 4.974 8.348 ( -0.957 0.000 -7.832) 7.891 8.559 ( -11.437 0.000 15.847) 19.543 8.656 ( -9.156 0.000 -7.209) 11.653 8.717 ( -0.730 0.000 1.368) 1.551 9.079 ( 9.753 0.000 2.182) 9.995 9.164 ( 6.113 0.000 0.893) 6.178 9.760 ( 9.543 0.000 -0.157) 9.544 9.894 ( -1.383 0.000 2.161) 2.566 9.929 ( 0.026 0.000 0.682) 0.683 9.962 ( -2.596 0.000 -0.901) 2.748 10.028 ( 0.391 0.000 -2.171) 2.206 10.214 ( -5.499 0.000 0.337) 5.509 10.552 ( -0.326 0.000 2.798) 2.817 10.554 ( -0.374 0.000 2.747) 2.772 10.594 ( 17.468 0.000 -8.223) 19.307 10.999 ( 10.660 0.000 -9.756) 14.451 11.354 ( 8.542 0.000 9.013) 12.418 11.382 ( -0.085 0.000 -5.240) 5.241 11.407 ( -0.661 0.000 -6.003) 6.039 11.669 ( 0.151 0.000 5.003) 5.005 11.674 ( 0.075 0.000 4.585) 4.586 11.736 ( 13.085 0.000 -5.543) 14.210 11.851 ( 0.688 0.000 -0.747) 1.016 11.886 ( -0.189 0.000 -1.677) 1.688 12.341 ( -18.494 0.000 5.272) 19.231 12.407 ( -14.189 0.000 3.369) 14.583 12.946 ( -3.704 0.000 -0.355) 3.721 13.062 ( -5.541 0.000 -3.342) 6.471 13.822 ( 1.687 0.000 3.887) 4.238 14.001 ( 0.162 0.000 -3.854) 3.858 14.490 ( 1.781 0.000 1.347) 2.233 14.617 ( -0.858 0.000 -3.268) 3.379 16.023 ( -1.652 0.000 1.172) 2.026 16.123 ( -1.810 0.000 -1.954) 2.663 16.234 ( -0.565 0.000 -0.002) 0.565 16.304 ( 0.647 0.000 -1.365) 1.511 16.979 ( 0.651 0.000 -1.157) 1.328 17.062 ( -2.479 0.000 -2.658) 3.634 17.190 ( 0.873 0.000 5.220) 5.292 17.286 ( -1.210 0.000 2.404) 2.691 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 19.880 0.000 11.185) 22.811 1.194 ( 21.675 0.000 11.582) 24.575 1.499 ( -13.532 0.000 5.717) 14.690 1.623 ( -21.370 0.000 5.987) 22.193 1.695 ( 4.988 0.000 -7.949) 9.385 1.856 ( -8.873 0.000 -5.516) 10.448 1.878 ( 8.938 0.000 -17.668) 19.800 2.032 ( 6.759 0.000 0.023) 6.759 2.125 ( 21.296 0.000 6.866) 22.376 2.237 ( 2.112 0.000 1.058) 2.362 2.282 ( -2.083 0.000 -0.605) 2.169 2.381 ( 1.147 0.000 -1.518) 1.902 2.406 ( -1.305 0.000 -2.194) 2.553 2.626 ( 3.694 0.000 3.309) 4.959 2.673 ( -0.879 0.000 2.589) 2.734 2.733 ( -13.391 0.000 11.147) 17.423 2.807 ( 5.622 0.000 11.011) 12.363 2.815 ( -2.141 0.000 9.903) 10.132 2.888 ( 2.132 0.000 -0.100) 2.134 2.937 ( -2.604 0.000 -1.426) 2.969 3.048 ( -0.307 0.000 4.774) 4.784 3.155 ( -7.319 0.000 4.748) 8.724 3.391 ( 14.692 0.000 -7.585) 16.535 3.589 ( 12.146 0.000 -6.168) 13.622 3.627 ( 4.888 0.000 -12.629) 13.542 3.738 ( -12.175 0.000 -10.039) 15.780 3.937 ( -17.802 0.000 -6.883) 19.087 4.031 ( -18.159 0.000 -18.605) 25.998 4.669 ( 7.891 0.000 14.393) 16.414 4.870 ( -10.378 0.000 8.546) 13.444 5.111 ( 3.141 0.000 -1.917) 3.680 5.153 ( 0.188 0.000 -1.451) 1.463 5.398 ( 2.827 0.000 0.965) 2.987 5.419 ( 0.432 0.000 1.359) 1.426 5.806 ( 3.682 0.000 -0.509) 3.718 5.814 ( 2.847 0.000 -0.412) 2.876 6.552 ( 1.403 0.000 3.489) 3.761 6.658 ( -8.465 0.000 2.730) 8.895 7.095 ( 8.525 0.000 -2.156) 8.793 7.307 ( -11.412 0.000 -7.811) 13.829 7.966 ( 5.801 0.000 6.273) 8.545 8.100 ( -7.524 0.000 6.127) 9.703 8.173 ( 6.887 0.000 7.097) 9.890 8.247 ( 0.124 0.000 5.763) 5.765 8.386 ( 4.133 0.000 -10.014) 10.834 8.485 ( 5.797 0.000 9.021) 10.722 8.496 ( -7.061 0.000 -8.401) 10.975 8.644 ( -7.003 0.000 1.318) 7.126 9.236 ( 5.477 0.000 2.296) 5.939 9.264 ( 2.703 0.000 1.967) 3.343 9.872 ( -0.183 0.000 0.610) 0.637 9.902 ( -2.970 0.000 -0.609) 3.032 9.925 ( 4.164 0.000 -0.836) 4.247 9.939 ( 0.732 0.000 0.190) 0.756 10.037 ( 2.727 0.000 -2.982) 4.041 10.122 ( -4.427 0.000 -3.586) 5.697 10.546 ( -0.154 0.000 2.883) 2.888 10.547 ( -0.252 0.000 2.852) 2.863 10.952 ( 18.474 0.000 1.905) 18.572 11.203 ( 0.319 0.000 0.508) 0.600 11.383 ( 0.253 0.000 -5.408) 5.414 11.392 ( -0.707 0.000 -5.708) 5.752 11.434 ( 9.766 0.000 4.700) 10.838 11.673 ( 0.180 0.000 4.863) 4.866 11.675 ( -0.036 0.000 4.764) 4.764 11.800 ( -16.556 0.000 -6.105) 17.646 11.867 ( 0.801 0.000 -1.132) 1.387 11.880 ( -0.506 0.000 -1.468) 1.553 12.092 ( 1.843 0.000 5.223) 5.539 12.191 ( -6.739 0.000 1.524) 6.909 12.902 ( -0.211 0.000 -3.320) 3.326 12.951 ( -4.913 0.000 -4.313) 6.538 13.878 ( 3.601 0.000 1.317) 3.834 13.954 ( -3.842 0.000 -1.358) 4.075 14.540 ( 2.855 0.000 -0.069) 2.856 14.589 ( -2.055 0.000 -1.639) 2.629 16.028 ( 1.827 0.000 1.188) 2.179 16.079 ( -2.802 0.000 0.747) 2.900 16.239 ( 1.514 0.000 -2.175) 2.650 16.283 ( -2.301 0.000 -2.027) 3.066 17.003 ( 1.589 0.000 -2.084) 2.621 17.030 ( -1.191 0.000 -2.446) 2.720 17.216 ( 1.813 0.000 3.601) 4.032 17.256 ( -1.997 0.000 2.302) 3.047 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.789 ( 0.000 17.304 20.138) 26.551 0.856 ( 0.000 18.526 21.373) 28.284 1.470 ( 0.000 40.246 27.612) 48.807 1.680 ( 0.000 19.772 -13.524) 23.955 1.734 ( 0.000 5.442 -19.260) 20.014 2.105 ( 0.000 5.088 0.684) 5.134 2.157 ( 0.000 13.400 0.492) 13.409 2.279 ( 0.000 17.155 -3.466) 17.502 2.357 ( 0.000 14.506 5.074) 15.368 2.398 ( 0.000 3.687 4.425) 5.760 2.437 ( 0.000 8.802 6.453) 10.914 2.469 ( 0.000 5.307 2.681) 5.946 2.539 ( 0.000 13.527 -0.254) 13.530 2.611 ( 0.000 12.395 -5.088) 13.398 2.640 ( 0.000 3.198 -8.240) 8.838 2.646 ( 0.000 14.927 4.467) 15.581 2.806 ( 0.000 13.853 -1.813) 13.971 2.840 ( 0.000 6.463 -3.827) 7.511 2.846 ( 0.000 2.190 -4.027) 4.584 3.057 ( 0.000 15.838 -0.035) 15.838 3.156 ( 0.000 9.520 -15.225) 17.957 3.171 ( 0.000 14.712 -0.983) 14.745 3.203 ( 0.000 3.775 -1.525) 4.071 3.664 ( 0.000 0.961 11.754) 11.793 3.980 ( 0.000 -2.600 4.760) 5.423 4.118 ( 0.000 -0.514 -1.599) 1.679 4.230 ( 0.000 2.265 6.886) 7.248 4.536 ( 0.000 -1.860 -7.746) 7.966 4.690 ( 0.000 -2.877 7.640) 8.163 4.877 ( 0.000 -1.736 -8.927) 9.094 4.931 ( 0.000 -1.602 2.552) 3.013 5.181 ( 0.000 -1.938 -6.654) 6.930 5.231 ( 0.000 -3.127 6.768) 7.455 5.401 ( 0.000 -3.042 -0.536) 3.089 5.551 ( 0.000 -3.209 3.242) 4.561 5.615 ( 0.000 -1.121 -0.537) 1.243 6.715 ( 0.000 -1.140 -1.596) 1.961 6.721 ( 0.000 -2.400 -0.598) 2.474 7.343 ( 0.000 -4.422 6.552) 7.905 7.405 ( 0.000 -4.531 1.694) 4.837 7.582 ( 0.000 0.257 5.619) 5.624 7.923 ( 0.000 1.003 -7.887) 7.950 8.150 ( 0.000 4.968 -3.912) 6.323 8.336 ( 0.000 1.996 -9.797) 9.999 8.540 ( 0.000 15.966 3.876) 16.430 8.676 ( 0.000 -0.519 0.587) 0.783 8.774 ( 0.000 1.845 3.371) 3.843 8.959 ( 0.000 12.571 -8.810) 15.351 9.103 ( 0.000 16.152 5.505) 17.064 9.241 ( 0.000 13.639 0.554) 13.650 9.690 ( 0.000 2.128 3.111) 3.770 9.934 ( 0.000 2.710 -1.749) 3.225 9.996 ( 0.000 2.681 4.631) 5.351 10.056 ( 0.000 5.274 1.538) 5.493 10.168 ( 0.000 15.669 -1.759) 15.767 10.344 ( 0.000 3.505 11.243) 11.777 10.474 ( 0.000 -5.701 -5.243) 7.746 10.474 ( 0.000 -3.624 3.478) 5.023 10.593 ( 0.000 12.307 -13.346) 18.154 10.859 ( 0.000 -4.328 -7.232) 8.428 11.195 ( 0.000 2.628 -4.825) 5.495 11.307 ( 0.000 -11.468 -5.652) 12.785 11.486 ( 0.000 5.567 1.576) 5.786 11.576 ( 0.000 -5.173 3.197) 6.082 11.677 ( 0.000 2.174 3.029) 3.728 11.743 ( 0.000 11.539 -3.374) 12.023 11.770 ( 0.000 -3.661 0.060) 3.661 11.877 ( 0.000 -0.688 -2.023) 2.137 12.516 ( 0.000 -0.916 1.726) 1.954 12.645 ( 0.000 0.691 -3.526) 3.593 13.019 ( 0.000 0.714 2.620) 2.715 13.133 ( 0.000 -0.365 -1.254) 1.306 13.775 ( 0.000 -5.414 3.888) 6.666 13.985 ( 0.000 1.217 -5.575) 5.706 14.391 ( 0.000 -8.565 1.696) 8.731 14.520 ( 0.000 -10.312 -3.324) 10.835 16.028 ( 0.000 -3.227 0.727) 3.308 16.090 ( 0.000 -5.480 -2.202) 5.906 16.195 ( 0.000 -5.076 1.837) 5.398 16.198 ( 0.000 -4.959 0.254) 4.965 16.910 ( 0.000 -6.377 -0.864) 6.435 17.000 ( 0.000 -9.011 -2.941) 9.479 17.107 ( 0.000 -7.332 6.218) 9.613 17.211 ( 0.000 -8.567 2.584) 8.948 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 13.879 13.501 15.548) 24.833 1.029 ( 15.826 17.614 16.347) 28.774 1.684 ( 17.879 27.442 14.654) 35.881 1.732 ( 5.558 20.277 -9.090) 22.906 1.781 ( 6.163 9.073 -10.804) 15.396 2.034 ( -11.465 15.681 1.596) 19.491 2.104 ( -13.755 4.955 0.334) 14.624 2.143 ( -3.072 4.505 -2.909) 6.180 2.221 ( -5.127 14.282 -1.987) 15.304 2.357 ( -0.105 13.828 1.641) 13.925 2.472 ( 0.543 15.820 -0.335) 15.833 2.519 ( -0.852 12.935 -1.922) 13.105 2.546 ( 2.888 7.328 2.301) 8.206 2.595 ( 5.455 5.692 8.845) 11.849 2.695 ( 3.421 13.782 2.088) 14.353 2.773 ( 2.326 7.534 -1.371) 8.003 2.815 ( 2.213 13.850 -0.930) 14.057 2.918 ( 4.161 3.988 -0.115) 5.765 2.963 ( 12.765 2.877 -6.061) 14.420 3.049 ( 0.276 14.306 0.859) 14.334 3.154 ( -1.405 16.475 -1.567) 16.608 3.208 ( 4.071 2.567 5.534) 7.334 3.269 ( 6.177 9.043 -21.612) 24.228 3.581 ( -6.417 2.021 6.626) 9.443 3.772 ( -18.446 0.861 15.393) 24.040 3.965 ( -10.303 -1.160 -12.291) 16.080 4.238 ( -5.595 -0.652 -5.868) 8.134 4.324 ( -14.862 -0.360 -1.499) 14.942 4.650 ( -6.843 -1.037 2.106) 7.235 4.895 ( 5.493 -1.940 -1.217) 5.952 5.033 ( 7.009 -2.143 2.164) 7.642 5.141 ( -7.454 -2.891 6.587) 10.359 5.280 ( 6.002 -2.627 -2.420) 6.984 5.371 ( -1.080 -3.945 0.560) 4.128 5.652 ( 7.625 -3.236 0.321) 8.290 5.692 ( 5.865 -2.111 -0.474) 6.251 6.608 ( -5.360 0.195 1.229) 5.502 6.765 ( 0.378 -0.408 -5.513) 5.541 7.076 ( -11.539 -2.171 9.874) 15.342 7.417 ( -5.272 -4.163 -3.647) 7.644 7.830 ( 14.440 -3.372 1.501) 14.904 7.976 ( 7.318 -0.039 -2.225) 7.649 8.149 ( -0.695 2.371 -2.039) 3.203 8.361 ( 2.063 0.738 -8.343) 8.626 8.496 ( -3.439 18.495 4.620) 19.371 8.656 ( -5.224 6.940 4.270) 9.679 8.760 ( 1.435 5.331 2.090) 5.903 8.840 ( -8.565 15.155 -4.192) 17.906 9.208 ( 8.011 12.689 3.287) 15.362 9.298 ( 5.438 12.656 1.853) 13.899 9.787 ( 8.712 2.089 1.200) 9.039 9.904 ( -0.883 0.294 -0.290) 0.975 10.001 ( -0.328 6.315 3.843) 7.400 10.048 ( -1.281 3.196 -0.321) 3.458 10.124 ( -4.099 13.734 -0.368) 14.338 10.248 ( -6.035 3.054 1.193) 6.868 10.477 ( 2.137 -3.050 2.323) 4.389 10.538 ( 2.205 -1.468 1.770) 3.186 10.713 ( 10.766 6.730 -6.117) 14.093 10.992 ( 11.972 -2.290 -5.922) 13.552 11.233 ( 2.495 -4.109 -5.176) 7.064 11.314 ( 0.715 -9.746 -5.814) 11.371 11.467 ( -2.309 -0.083 1.729) 2.886 11.586 ( -3.364 -2.119 1.467) 4.238 11.603 ( 1.743 -3.339 2.351) 4.440 11.772 ( 0.459 -4.009 1.272) 4.231 11.849 ( 0.455 2.545 -1.640) 3.062 11.897 ( 5.485 5.372 -1.512) 7.825 12.375 ( -14.088 1.696 2.703) 14.445 12.443 ( -15.649 2.758 1.712) 15.982 12.973 ( -2.246 2.211 0.543) 3.198 13.086 ( -4.003 1.422 -2.443) 4.901 13.781 ( 1.452 -4.707 3.838) 6.245 13.980 ( -2.229 -2.773 -4.133) 5.453 14.415 ( 2.510 -7.429 0.788) 7.881 14.519 ( -0.155 -9.668 -2.828) 10.075 15.999 ( -1.123 -2.331 0.496) 2.635 16.077 ( -1.032 -4.665 -2.084) 5.213 16.185 ( -0.161 -4.310 0.796) 4.386 16.243 ( 1.451 -5.508 -0.224) 5.701 16.913 ( 0.537 -6.528 -1.288) 6.676 16.980 ( -1.463 -7.875 -2.387) 8.358 17.117 ( 0.987 -7.199 5.206) 8.939 17.206 ( -0.560 -7.786 2.157) 8.098 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 19.234 8.486 9.540) 23.086 1.379 ( 18.464 17.883 10.042) 27.596 1.662 ( -18.496 5.270 3.968) 19.637 1.708 ( -14.063 16.471 4.626) 22.146 1.905 ( 7.202 17.555 -9.905) 21.404 1.933 ( 4.816 6.941 -14.377) 16.675 2.050 ( -6.590 13.868 -6.478) 16.664 2.104 ( -8.074 8.964 -10.916) 16.269 2.245 ( 24.898 16.089 13.351) 32.512 2.383 ( 2.068 13.395 0.068) 13.554 2.458 ( 2.175 15.964 2.784) 16.351 2.531 ( 2.027 13.302 -1.647) 13.556 2.555 ( -0.539 14.280 -0.398) 14.296 2.753 ( 0.943 10.931 3.848) 11.627 2.784 ( 4.637 3.689 14.031) 15.231 2.792 ( 1.986 9.199 5.122) 10.715 2.862 ( -11.365 7.441 9.005) 16.298 2.881 ( 1.837 10.531 6.692) 12.612 3.058 ( 0.761 9.713 2.405) 10.035 3.072 ( -1.661 10.797 -0.021) 10.924 3.122 ( -1.771 14.695 0.468) 14.809 3.206 ( -8.805 6.893 5.985) 12.683 3.411 ( 14.938 2.138 -6.275) 16.343 3.583 ( 7.282 -0.706 -1.266) 7.425 3.647 ( 8.201 3.038 -18.886) 20.813 3.738 ( -10.989 0.119 -9.879) 14.777 3.914 ( -16.909 -2.094 -6.262) 18.152 4.046 ( -18.065 2.311 -19.297) 26.534 4.668 ( 7.862 0.001 14.027) 16.081 4.861 ( -9.876 -0.664 8.852) 13.279 5.077 ( 3.170 -3.308 -1.316) 4.767 5.121 ( 0.039 -3.049 -0.618) 3.111 5.363 ( 2.337 -3.283 0.823) 4.113 5.375 ( 0.840 -3.940 1.509) 4.302 5.773 ( 3.731 -3.417 -0.517) 5.085 5.783 ( 2.569 -3.065 -0.597) 4.043 6.565 ( 1.684 1.567 3.661) 4.324 6.670 ( -8.002 1.425 2.785) 8.592 7.057 ( 7.647 -2.882 -1.653) 8.338 7.251 ( -10.538 -3.981 -6.038) 12.782 7.996 ( 5.912 0.475 -0.340) 5.940 8.099 ( -4.238 -0.490 -0.411) 4.286 8.211 ( 11.593 -2.841 1.026) 11.980 8.357 ( -3.662 0.838 -2.712) 4.633 8.475 ( 2.149 15.493 2.328) 15.814 8.549 ( -4.983 12.117 4.113) 13.732 8.718 ( -2.428 16.565 -0.083) 16.743 8.742 ( -3.013 11.174 1.137) 11.629 9.363 ( 6.381 11.392 3.125) 13.426 9.400 ( 2.947 12.289 2.749) 12.933 9.906 ( 1.235 1.364 -0.662) 1.955 9.930 ( 1.853 1.726 -0.992) 2.720 9.999 ( 0.408 6.997 2.110) 7.320 10.020 ( -1.070 8.784 -0.199) 8.851 10.056 ( 0.573 3.100 -0.761) 3.243 10.143 ( -5.156 2.567 -3.027) 6.507 10.533 ( 2.709 -0.674 2.890) 4.018 10.559 ( -0.029 1.205 1.946) 2.288 10.962 ( 13.796 -0.055 4.759) 14.593 11.157 ( -2.191 -6.423 5.785) 8.918 11.297 ( 3.228 -6.628 -6.994) 10.162 11.339 ( -0.067 -3.929 -7.110) 8.123 11.456 ( 9.117 0.926 -1.208) 9.244 11.566 ( 0.420 -6.597 0.410) 6.623 11.610 ( -0.522 -6.930 -1.018) 7.024 11.757 ( -5.629 -5.815 -3.315) 8.746 11.818 ( -0.344 0.482 3.737) 3.784 11.904 ( -9.673 5.516 -0.926) 11.174 12.132 ( -2.136 2.458 4.572) 5.613 12.204 ( -7.777 0.584 1.178) 7.887 12.962 ( 1.148 4.910 -1.857) 5.374 13.010 ( -3.418 4.497 -2.917) 6.357 13.828 ( 3.246 -5.408 1.588) 6.504 13.906 ( -4.477 -5.273 -1.134) 7.009 14.470 ( 2.644 -6.994 -0.501) 7.494 14.508 ( -1.152 -8.136 -1.650) 8.382 16.005 ( 1.643 -2.348 0.884) 2.999 16.048 ( -2.152 -3.066 0.429) 3.770 16.194 ( 1.485 -4.331 -1.550) 4.834 16.234 ( -1.926 -4.758 -1.444) 5.332 16.934 ( 1.391 -6.860 -2.089) 7.305 16.957 ( -0.988 -7.238 -2.362) 7.678 17.145 ( 1.854 -7.021 3.535) 8.077 17.183 ( -1.800 -7.169 2.161) 7.701 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.185 ( 0.000 21.491 11.957) 24.593 1.241 ( 0.000 20.329 13.588) 24.452 1.880 ( 0.000 9.321 -15.842) 18.380 2.001 ( 0.000 10.618 -16.166) 19.342 2.231 ( 0.000 8.914 -1.146) 8.988 2.326 ( 0.000 31.827 13.273) 34.484 2.443 ( 0.000 10.847 5.272) 12.061 2.552 ( 0.000 9.010 -4.818) 10.217 2.568 ( 0.000 13.620 4.742) 14.422 2.580 ( 0.000 19.358 -1.430) 19.411 2.759 ( 0.000 19.616 6.871) 20.785 2.760 ( 0.000 20.229 -1.576) 20.291 2.773 ( 0.000 9.554 -1.871) 9.736 2.859 ( 0.000 5.640 -0.380) 5.653 2.878 ( 0.000 17.532 -1.332) 17.583 2.890 ( 0.000 17.404 0.669) 17.417 2.994 ( 0.000 16.903 2.910) 17.151 3.107 ( 0.000 21.777 -3.386) 22.038 3.203 ( 0.000 20.770 -1.439) 20.820 3.246 ( 0.000 6.427 10.364) 12.195 3.406 ( 0.000 17.363 3.732) 17.760 3.515 ( 0.000 23.523 -23.001) 32.899 3.612 ( 0.000 26.806 -2.913) 26.964 3.725 ( 0.000 5.929 8.518) 10.378 3.952 ( 0.000 0.154 -3.133) 3.137 4.157 ( 0.000 6.288 5.691) 8.481 4.311 ( 0.000 6.225 3.066) 6.939 4.488 ( 0.000 -2.702 -5.092) 5.764 4.632 ( 0.000 -3.102 6.437) 7.146 4.823 ( 0.000 -3.529 -9.890) 10.501 4.915 ( 0.000 0.710 3.876) 3.941 5.137 ( 0.000 -2.336 -5.306) 5.797 5.142 ( 0.000 -5.749 5.775) 8.148 5.321 ( 0.000 -4.944 -1.682) 5.222 5.463 ( 0.000 -5.588 4.274) 7.035 5.581 ( 0.000 -2.432 -1.525) 2.870 6.699 ( 0.000 -0.158 -0.967) 0.979 6.700 ( 0.000 0.172 -0.645) 0.667 7.276 ( 0.000 -1.985 3.097) 3.678 7.315 ( 0.000 -4.131 0.862) 4.220 7.603 ( 0.000 1.809 3.141) 3.625 7.909 ( 0.000 -1.959 -10.213) 10.399 8.218 ( 0.000 2.379 -0.410) 2.414 8.293 ( 0.000 -6.057 -4.266) 7.408 8.684 ( 0.000 1.473 0.213) 1.488 8.692 ( 0.000 1.652 -0.794) 1.832 9.045 ( 0.000 19.567 3.985) 19.969 9.220 ( 0.000 11.833 -5.486) 13.042 9.451 ( 0.000 15.799 2.635) 16.017 9.524 ( 0.000 11.687 0.569) 11.701 9.704 ( 0.000 0.135 9.024) 9.025 9.993 ( 0.000 3.571 -1.677) 3.945 10.037 ( 0.000 2.455 4.046) 4.733 10.124 ( 0.000 0.747 6.781) 6.822 10.304 ( 0.000 -1.361 4.961) 5.144 10.345 ( 0.000 -5.681 -3.895) 6.888 10.537 ( 0.000 10.463 -4.322) 11.321 10.608 ( 0.000 -12.315 -5.425) 13.457 10.649 ( 0.000 17.999 1.586) 18.069 10.871 ( 0.000 8.632 -1.660) 8.791 11.012 ( 0.000 -8.735 0.889) 8.781 11.242 ( 0.000 6.394 -13.612) 15.039 11.568 ( 0.000 3.569 3.564) 5.043 11.591 ( 0.000 5.802 2.846) 6.462 11.720 ( 0.000 3.139 5.440) 6.281 11.826 ( 0.000 6.416 -2.628) 6.933 11.881 ( 0.000 1.762 -2.385) 2.966 11.966 ( 0.000 10.120 -4.781) 11.193 12.484 ( 0.000 -2.214 1.463) 2.653 12.636 ( 0.000 -1.803 -5.617) 5.899 13.015 ( 0.000 -2.070 3.918) 4.432 13.091 ( 0.000 -3.936 0.454) 3.962 13.622 ( 0.000 -9.605 5.614) 11.125 13.941 ( 0.000 -6.065 -6.471) 8.869 14.158 ( 0.000 -14.416 1.142) 14.462 14.246 ( 0.000 -16.584 -2.309) 16.744 15.937 ( 0.000 -9.683 -1.318) 9.772 15.951 ( 0.000 -4.984 -2.685) 5.661 16.072 ( 0.000 -7.332 1.349) 7.455 16.107 ( 0.000 -3.490 1.323) 3.733 16.740 ( 0.000 -10.336 -0.925) 10.377 16.782 ( 0.000 -12.793 -1.649) 12.899 16.907 ( 0.000 -12.512 5.093) 13.509 16.990 ( 0.000 -13.500 1.767) 13.615 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 8.807 18.998 9.453) 22.975 1.371 ( 12.979 17.479 13.077) 25.397 1.902 ( 1.861 8.966 -15.551) 18.046 2.073 ( 5.637 11.221 -13.892) 18.726 2.174 ( -10.612 6.572 -1.728) 12.601 2.240 ( -4.150 8.654 -3.811) 10.327 2.412 ( -10.442 15.105 3.562) 18.705 2.500 ( 8.869 40.001 10.821) 42.378 2.577 ( 3.894 11.375 4.405) 12.805 2.639 ( 3.088 15.790 7.413) 17.715 2.734 ( -2.468 21.585 -1.173) 21.757 2.774 ( -2.357 12.790 -2.011) 13.160 2.853 ( 3.015 15.858 -2.990) 16.417 2.875 ( 3.526 20.090 1.564) 20.457 2.922 ( 4.525 5.499 4.148) 8.241 2.974 ( 4.992 9.798 0.442) 11.005 3.042 ( 5.241 15.967 2.570) 17.000 3.111 ( 4.099 16.903 -3.682) 17.779 3.199 ( 0.297 14.985 3.872) 15.480 3.311 ( 5.274 12.412 2.262) 13.674 3.382 ( -2.047 17.819 4.514) 18.496 3.582 ( -1.254 23.200 -5.088) 23.784 3.603 ( 5.591 23.857 -17.826) 30.301 3.660 ( -4.580 7.959 5.657) 10.785 3.834 ( -12.330 5.150 3.224) 13.746 3.987 ( -12.402 6.904 -2.859) 14.479 4.207 ( -15.309 -2.200 -7.277) 17.093 4.380 ( -3.638 6.466 1.064) 7.495 4.635 ( -5.278 -0.137 0.547) 5.308 4.837 ( 6.512 -3.971 -1.785) 7.834 4.993 ( 5.274 -1.269 3.549) 6.482 5.065 ( -7.156 -4.512 6.891) 10.911 5.216 ( 4.906 -3.724 -2.722) 6.734 5.277 ( -1.662 -5.473 0.228) 5.725 5.560 ( 7.012 -6.058 0.846) 9.305 5.633 ( 4.129 -3.938 -1.358) 5.866 6.627 ( -2.869 1.973 1.763) 3.903 6.769 ( 2.966 0.877 -4.372) 5.356 7.046 ( -11.044 -0.501 7.521) 13.371 7.348 ( -5.165 -2.818 -4.935) 7.679 7.761 ( 12.823 -3.176 1.701) 13.319 7.945 ( 3.891 -2.403 -7.406) 8.704 8.194 ( -2.031 1.448 0.319) 2.514 8.303 ( 0.400 -5.998 -2.812) 6.637 8.731 ( 2.513 4.892 0.061) 5.500 8.754 ( 4.591 3.022 0.084) 5.497 9.014 ( -1.602 17.101 2.679) 17.383 9.133 ( -5.700 12.691 -4.481) 14.616 9.512 ( 3.831 14.792 4.230) 15.855 9.574 ( 5.407 12.226 3.396) 13.793 9.823 ( 10.192 1.551 5.269) 11.577 9.926 ( -1.383 3.398 -0.147) 3.672 10.089 ( -1.945 0.151 7.013) 7.279 10.101 ( 0.715 4.311 -0.422) 4.390 10.272 ( -3.052 2.960 0.990) 4.366 10.353 ( -0.983 -3.143 -2.612) 4.204 10.496 ( -0.111 2.201 -1.130) 2.476 10.592 ( -0.263 5.305 -1.545) 5.531 10.807 ( 9.843 5.960 0.213) 11.509 10.929 ( 5.531 3.368 0.611) 6.505 11.049 ( 3.469 -9.419 -0.579) 10.055 11.260 ( 2.646 6.033 -11.686) 13.414 11.494 ( -6.242 4.527 -1.482) 7.852 11.573 ( -1.641 1.654 4.637) 5.189 11.606 ( -8.248 1.929 -0.851) 8.513 11.790 ( -1.822 4.637 -1.939) 5.346 11.906 ( 1.279 5.109 3.116) 6.120 12.032 ( 3.187 6.520 -2.772) 7.768 12.384 ( -10.193 -0.703 1.548) 10.334 12.484 ( -14.425 1.287 -1.923) 14.610 13.004 ( 0.848 -0.044 1.762) 1.956 13.083 ( -0.593 -2.218 -0.751) 2.415 13.632 ( 0.810 -10.072 4.671) 11.132 13.862 ( -6.538 -9.549 -3.402) 12.063 14.211 ( 3.868 -12.716 -0.738) 13.312 14.259 ( 1.198 -15.918 -2.086) 16.099 15.923 ( -0.568 -6.641 -0.720) 6.704 15.954 ( 0.553 -6.299 -2.829) 6.928 16.081 ( 0.270 -6.765 1.271) 6.888 16.121 ( 0.702 -5.397 1.047) 5.542 16.738 ( 0.065 -10.723 -1.353) 10.808 16.773 ( -0.751 -12.588 -1.729) 12.729 16.921 ( 1.347 -12.249 4.563) 13.140 16.998 ( 0.377 -12.824 1.434) 12.910 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 14.074 14.010 5.799) 20.688 1.696 ( 17.428 13.588 9.883) 24.209 1.808 ( -13.233 9.588 0.970) 16.370 2.001 ( -3.095 11.735 -6.026) 13.550 2.116 ( -8.619 11.602 -3.054) 14.773 2.164 ( -5.365 5.997 -11.934) 14.394 2.302 ( 8.703 15.919 -9.087) 20.291 2.492 ( -8.989 20.406 -6.757) 23.300 2.690 ( 4.503 23.368 3.825) 24.103 2.745 ( -1.606 18.313 1.141) 18.418 2.774 ( 7.817 17.058 3.784) 19.142 2.804 ( 9.102 7.314 12.053) 16.782 2.870 ( -1.838 14.464 1.841) 14.696 2.960 ( -0.047 10.876 4.793) 11.886 2.974 ( 8.377 24.540 10.066) 27.815 3.025 ( 0.858 13.438 5.760) 14.646 3.064 ( -0.915 14.930 1.131) 15.001 3.211 ( -1.348 17.549 3.776) 18.001 3.299 ( 2.471 13.305 4.620) 14.299 3.310 ( -2.239 17.509 2.313) 17.803 3.460 ( 9.762 8.346 -1.365) 12.916 3.529 ( -3.610 21.966 -2.876) 22.446 3.568 ( -4.052 14.336 1.481) 14.971 3.588 ( 2.057 11.093 0.991) 11.326 3.749 ( -9.375 5.781 -9.513) 14.554 3.799 ( -4.529 6.719 -12.991) 15.311 3.901 ( -2.147 5.986 -11.706) 13.321 4.160 ( -16.061 10.194 -17.416) 25.791 4.679 ( 7.783 1.490 12.221) 14.565 4.856 ( -8.769 0.505 8.691) 12.357 4.987 ( 3.865 -5.631 -0.713) 6.867 5.046 ( -0.938 -4.194 0.728) 4.358 5.278 ( 1.399 -5.185 0.757) 5.424 5.282 ( 1.313 -5.030 1.158) 5.326 5.673 ( 3.809 -6.610 -0.611) 7.653 5.695 ( 1.478 -5.833 -1.099) 6.117 6.620 ( 2.644 4.106 3.786) 6.179 6.724 ( -6.909 4.160 2.503) 8.444 7.007 ( 6.758 -1.996 -1.465) 7.197 7.185 ( -10.008 -2.493 -5.726) 11.797 7.966 ( 6.878 -3.886 -3.639) 8.697 8.030 ( 1.680 -5.351 -5.535) 7.880 8.180 ( 3.012 -0.463 3.440) 4.596 8.277 ( -3.813 -5.863 0.131) 6.995 8.754 ( 0.739 9.577 0.391) 9.613 8.782 ( -1.355 8.863 0.470) 8.978 9.017 ( 1.380 13.481 0.690) 13.569 9.054 ( -2.565 13.630 -1.224) 13.924 9.617 ( 5.741 11.717 5.260) 14.069 9.664 ( 2.059 13.083 5.567) 14.367 9.936 ( 3.775 2.271 -0.605) 4.447 10.000 ( 0.963 6.069 -0.861) 6.205 10.091 ( 4.261 1.493 0.349) 4.528 10.098 ( 0.091 2.305 2.180) 3.174 10.190 ( -3.074 6.432 0.158) 7.130 10.277 ( -6.010 5.689 0.044) 8.276 10.541 ( 3.525 -0.317 1.171) 3.728 10.591 ( -0.855 0.812 0.549) 1.301 10.965 ( 6.185 4.350 5.273) 9.218 11.019 ( 1.338 -0.973 2.402) 2.917 11.131 ( 5.589 -7.948 -4.342) 10.642 11.272 ( -6.620 -1.905 -5.641) 8.903 11.452 ( 3.178 -3.100 -1.011) 4.553 11.475 ( -2.132 -3.102 -3.587) 5.199 11.594 ( 5.435 9.140 -3.154) 11.092 11.741 ( -4.452 4.754 -3.528) 7.407 11.922 ( 1.570 8.628 5.797) 10.512 12.033 ( -5.432 6.825 -1.387) 8.832 12.163 ( -7.575 0.939 2.836) 8.143 12.200 ( -9.848 -0.660 1.004) 9.921 13.048 ( 2.664 2.979 -0.427) 4.019 13.079 ( -0.386 1.862 -1.185) 2.241 13.657 ( 2.207 -11.854 2.164) 12.251 13.734 ( -5.722 -12.092 -0.488) 13.387 14.270 ( 1.774 -13.070 -1.431) 13.268 14.280 ( 0.558 -14.497 -1.665) 14.603 15.933 ( 1.516 -5.265 0.035) 5.479 15.961 ( -0.545 -5.524 -0.964) 5.634 16.084 ( 0.741 -6.519 0.183) 6.563 16.113 ( -1.506 -6.732 0.048) 6.898 16.747 ( 0.752 -11.624 -1.851) 11.794 16.760 ( -0.581 -12.235 -1.931) 12.400 16.955 ( 2.020 -11.735 3.090) 12.302 16.990 ( -1.260 -11.883 1.631) 12.061 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.598 ( 0.000 19.708 6.761) 20.835 1.633 ( 0.000 18.826 6.792) 20.014 2.079 ( 0.000 10.373 -9.052) 13.767 2.179 ( 0.000 8.881 -9.324) 12.877 2.381 ( 0.000 6.138 -8.657) 10.612 2.427 ( 0.000 1.059 3.313) 3.478 2.595 ( 0.000 3.334 -5.119) 6.109 2.712 ( 0.000 4.676 -2.220) 5.176 2.841 ( 0.000 5.958 -3.114) 6.723 2.853 ( 0.000 3.295 4.481) 5.562 3.004 ( 0.000 8.235 10.423) 13.284 3.115 ( 0.000 11.904 4.152) 12.607 3.122 ( 0.000 19.260 1.376) 19.309 3.288 ( 0.000 22.724 -0.116) 22.725 3.289 ( 0.000 19.015 1.059) 19.045 3.319 ( 0.000 38.860 4.916) 39.169 3.382 ( 0.000 22.812 0.637) 22.821 3.451 ( 0.000 11.685 7.810) 14.055 3.498 ( 0.000 9.820 -3.665) 10.482 3.559 ( 0.000 21.811 0.553) 21.818 3.680 ( 0.000 9.509 10.258) 13.988 3.871 ( 0.000 6.989 -5.183) 8.701 4.031 ( 0.000 27.386 -14.917) 31.185 4.083 ( 0.000 16.594 2.327) 16.757 4.161 ( 0.000 25.190 -6.795) 26.090 4.400 ( 0.000 0.922 -9.310) 9.356 4.423 ( 0.000 19.602 3.691) 19.947 4.535 ( 0.000 10.836 6.454) 12.612 4.569 ( 0.000 -3.074 5.090) 5.947 4.765 ( 0.000 -0.930 -7.864) 7.919 4.982 ( 0.000 4.898 3.738) 6.161 5.016 ( 0.000 -4.736 3.342) 5.797 5.098 ( 0.000 -1.815 -1.573) 2.402 5.227 ( 0.000 -3.013 -3.868) 4.903 5.341 ( 0.000 -6.168 5.853) 8.503 5.522 ( 0.000 -3.092 -2.293) 3.850 6.719 ( 0.000 2.405 0.171) 2.411 6.731 ( 0.000 3.038 -0.262) 3.049 7.253 ( 0.000 -2.002 1.016) 2.245 7.265 ( 0.000 0.605 0.211) 0.641 7.641 ( 0.000 1.604 1.122) 1.958 7.850 ( 0.000 -3.989 -7.840) 8.797 8.108 ( 0.000 -12.246 3.329) 12.691 8.233 ( 0.000 -1.705 -1.096) 2.027 8.738 ( 0.000 4.041 -0.366) 4.057 8.741 ( 0.000 3.952 -0.634) 4.002 9.325 ( 0.000 7.915 -1.107) 7.992 9.362 ( 0.000 1.795 -2.856) 3.373 9.611 ( 0.000 -1.338 2.910) 3.203 9.618 ( 0.000 4.119 2.483) 4.810 9.767 ( 0.000 2.942 8.250) 8.759 10.031 ( 0.000 -2.431 -1.608) 2.915 10.039 ( 0.000 -7.508 3.208) 8.164 10.107 ( 0.000 -3.217 5.903) 6.723 10.268 ( 0.000 0.857 -1.228) 1.497 10.291 ( 0.000 -0.488 -6.305) 6.324 10.416 ( 0.000 1.696 -4.092) 4.429 10.496 ( 0.000 -2.700 -4.648) 5.375 11.010 ( 0.000 20.909 3.572) 21.212 11.087 ( 0.000 11.472 2.743) 11.796 11.287 ( 0.000 22.735 -2.078) 22.830 11.461 ( 0.000 13.499 -7.676) 15.529 11.667 ( 0.000 0.222 6.852) 6.856 11.687 ( 0.000 8.127 6.638) 10.494 11.840 ( 0.000 8.628 2.487) 8.979 11.953 ( 0.000 6.953 -1.214) 7.058 11.953 ( 0.000 5.635 -0.813) 5.693 12.133 ( 0.000 6.801 -6.660) 9.519 12.432 ( 0.000 -3.016 0.282) 3.030 12.568 ( 0.000 -5.557 -7.680) 9.479 12.895 ( 0.000 -10.474 4.432) 11.373 12.977 ( 0.000 -7.452 0.086) 7.452 13.425 ( 0.000 -9.743 7.432) 12.254 13.757 ( 0.000 -11.894 -5.474) 13.093 13.861 ( 0.000 -14.656 -0.579) 14.667 13.905 ( 0.000 -17.141 -2.168) 17.278 15.726 ( 0.000 -11.162 -0.293) 11.166 15.835 ( 0.000 -6.306 -5.238) 8.198 15.927 ( 0.000 -7.062 3.389) 7.833 16.050 ( 0.000 -2.778 -0.518) 2.826 16.511 ( 0.000 -14.446 0.550) 14.457 16.526 ( 0.000 -10.858 -0.631) 10.876 16.634 ( 0.000 -14.718 3.341) 15.092 16.701 ( 0.000 -15.243 0.509) 15.251 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 5.259 18.257 5.323) 19.731 1.712 ( 8.303 16.631 7.691) 20.116 2.087 ( -0.068 9.298 -9.777) 13.493 2.238 ( 4.895 7.280 -6.417) 10.869 2.310 ( -6.712 7.266 -3.543) 10.507 2.382 ( -1.723 5.368 -10.869) 12.244 2.573 ( -4.223 3.949 4.305) 7.208 2.727 ( 0.945 7.945 5.510) 9.715 2.868 ( 6.393 -0.506 1.639) 6.619 2.934 ( -2.130 8.163 -5.020) 9.817 3.004 ( 1.393 9.465 4.823) 10.714 3.044 ( 1.482 7.658 5.985) 9.831 3.169 ( -1.034 15.654 -2.470) 15.881 3.258 ( 1.429 16.701 3.189) 17.063 3.299 ( -0.472 23.016 -1.574) 23.075 3.346 ( 2.262 20.651 1.471) 20.827 3.398 ( 3.457 30.869 3.939) 31.310 3.468 ( 0.774 16.250 6.163) 17.397 3.495 ( -1.298 10.920 -0.838) 11.029 3.562 ( 1.115 18.807 4.871) 19.460 3.697 ( 0.805 10.150 4.201) 11.014 3.861 ( 0.161 13.328 -2.805) 13.621 3.991 ( -8.199 16.889 0.958) 18.799 4.073 ( 1.601 22.007 -13.508) 25.872 4.156 ( 0.288 25.242 -8.250) 26.558 4.180 ( -13.676 4.717 -3.264) 14.830 4.317 ( -9.595 22.419 3.302) 24.609 4.588 ( 3.196 14.027 3.641) 14.840 4.667 ( -4.798 4.412 -4.873) 8.138 4.741 ( 7.914 -5.169 -1.214) 9.530 4.975 ( -2.467 -3.651 5.699) 7.204 5.025 ( 0.785 4.933 2.615) 5.638 5.138 ( 2.609 -4.273 -0.704) 5.056 5.181 ( -1.624 -2.479 0.042) 2.964 5.420 ( 5.657 -7.724 1.578) 9.703 5.541 ( 1.490 -4.930 -2.175) 5.591 6.692 ( -0.238 4.639 1.955) 5.040 6.801 ( 4.832 2.416 -2.533) 5.967 7.062 ( -10.132 1.991 4.818) 11.394 7.304 ( -4.477 -1.699 -5.239) 7.098 7.708 ( 6.885 -2.503 1.698) 7.520 7.882 ( 2.670 -4.294 -6.915) 8.567 8.109 ( 0.165 -10.381 3.535) 10.968 8.219 ( -1.368 -2.421 -0.475) 2.821 8.799 ( 4.802 2.734 -0.184) 5.529 8.815 ( 6.126 4.147 -0.897) 7.452 9.248 ( -5.535 5.805 -0.966) 8.079 9.284 ( -5.505 2.627 -2.674) 6.660 9.665 ( 4.180 0.747 4.245) 6.004 9.720 ( 7.167 4.552 3.768) 9.289 9.861 ( 10.929 0.818 7.490) 13.275 10.023 ( -3.044 1.930 4.547) 5.802 10.086 ( 2.663 0.655 3.140) 4.169 10.144 ( 6.066 -9.285 -1.409) 11.180 10.249 ( -1.464 3.541 -1.744) 4.210 10.322 ( 2.775 2.349 -4.672) 5.920 10.436 ( 0.613 0.769 -4.840) 4.939 10.507 ( 2.440 -4.020 -5.141) 6.967 11.054 ( -3.669 6.062 5.050) 8.702 11.092 ( 7.045 18.538 3.145) 20.079 11.263 ( -1.984 20.738 -3.098) 21.062 11.437 ( -3.434 10.529 -5.079) 12.184 11.551 ( -7.848 0.481 0.800) 7.904 11.634 ( -12.058 4.435 3.308) 13.267 11.724 ( 0.008 8.718 -0.046) 8.719 11.907 ( -1.987 6.846 -2.091) 7.429 12.037 ( 4.201 7.373 4.149) 9.446 12.155 ( 0.409 6.559 -2.174) 6.922 12.358 ( -8.166 -1.550 1.189) 8.397 12.506 ( -8.653 1.347 -5.360) 10.268 12.933 ( 4.978 -7.853 1.996) 9.510 12.983 ( 2.583 -8.137 -0.031) 8.537 13.417 ( -1.175 -10.701 5.438) 12.061 13.629 ( -9.135 -12.809 -2.351) 15.907 13.923 ( 2.294 -16.832 -2.263) 17.138 13.937 ( 3.342 -15.134 -2.437) 15.689 15.742 ( 1.691 -10.197 -0.297) 10.340 15.842 ( 0.507 -6.113 -4.676) 7.713 15.930 ( 0.358 -7.494 3.222) 8.165 16.038 ( -1.348 -3.891 -0.051) 4.118 16.500 ( -0.761 -14.008 0.465) 14.037 16.518 ( -0.748 -11.694 -1.274) 11.787 16.653 ( 2.074 -14.432 3.412) 14.974 16.725 ( 1.641 -14.247 0.175) 14.342 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 8.910 14.364 2.805) 17.134 1.933 ( 8.225 10.995 6.954) 15.392 2.011 ( -2.395 10.095 -2.303) 10.627 2.217 ( -1.033 10.198 -5.346) 11.561 2.277 ( -6.261 6.142 -7.795) 11.734 2.334 ( -9.717 10.080 1.854) 14.123 2.504 ( 11.739 5.695 -7.310) 14.956 2.764 ( -12.708 6.759 -4.714) 15.146 2.870 ( 8.500 4.202 8.584) 12.790 2.929 ( 1.084 4.607 3.471) 5.869 3.039 ( -0.387 7.104 3.962) 8.143 3.072 ( 0.417 10.007 5.437) 11.396 3.196 ( 0.735 14.013 0.458) 14.040 3.227 ( -2.622 20.929 1.096) 21.121 3.375 ( 3.409 8.778 -1.039) 9.474 3.396 ( 6.421 17.208 0.257) 18.369 3.437 ( -2.277 19.490 -2.475) 19.778 3.494 ( 8.145 4.721 -2.993) 9.878 3.554 ( -2.267 16.008 2.004) 16.291 3.585 ( 4.515 16.650 3.718) 17.648 3.707 ( 1.359 13.254 2.774) 13.609 3.801 ( -9.153 19.648 4.269) 22.092 3.849 ( -5.205 14.621 -0.315) 15.523 3.911 ( -5.617 17.185 -0.205) 18.081 4.087 ( -2.153 26.060 -4.077) 26.465 4.128 ( -6.680 26.253 -0.308) 27.092 4.261 ( 8.887 23.233 -13.400) 28.255 4.455 ( -10.398 18.272 -11.936) 24.176 4.742 ( 7.043 5.164 7.585) 11.568 4.856 ( -1.082 -4.260 3.781) 5.798 4.916 ( 0.948 3.393 2.300) 4.207 4.990 ( -3.623 0.539 1.157) 3.842 5.180 ( 1.705 -3.770 1.429) 4.378 5.190 ( 0.704 -3.624 1.636) 4.038 5.517 ( 3.791 -8.925 -0.550) 9.713 5.558 ( -0.342 -7.791 -1.620) 7.965 6.725 ( 3.843 6.448 3.394) 8.238 6.830 ( -5.434 6.421 1.936) 8.631 6.981 ( 5.845 -0.568 -1.103) 5.975 7.150 ( -9.564 -1.193 -5.174) 10.939 7.848 ( 6.053 -7.133 -1.548) 9.482 7.914 ( -0.456 -7.177 -5.133) 8.835 8.127 ( 2.103 -5.637 3.329) 6.876 8.180 ( -2.655 -3.770 1.252) 4.777 8.874 ( 2.686 3.288 -0.410) 4.265 8.899 ( 1.079 4.428 -1.059) 4.679 9.178 ( -0.726 3.170 -0.936) 3.384 9.203 ( -2.632 2.692 -1.251) 3.967 9.742 ( 5.052 1.325 6.989) 8.725 9.838 ( -2.029 1.832 7.932) 8.390 10.008 ( 7.133 4.765 -0.695) 8.606 10.093 ( 8.875 2.822 5.293) 10.712 10.129 ( 0.874 5.146 2.011) 5.593 10.230 ( 1.564 -3.097 -1.123) 3.646 10.237 ( 1.133 1.135 -1.471) 2.176 10.304 ( -6.534 10.563 -1.754) 12.544 10.481 ( 5.551 -2.345 -4.056) 7.264 10.565 ( -0.167 -0.448 -2.049) 2.104 10.995 ( 2.414 -4.827 -0.230) 5.402 11.179 ( -10.703 3.875 -5.950) 12.844 11.230 ( 5.735 16.468 1.354) 17.491 11.310 ( -4.736 11.340 -0.582) 12.303 11.440 ( -3.299 0.168 -0.546) 3.348 11.446 ( -4.214 2.597 1.398) 5.144 11.819 ( 7.619 11.746 -1.632) 14.096 11.893 ( 0.533 8.958 -2.531) 9.324 12.095 ( 1.154 4.993 5.218) 7.314 12.144 ( -1.707 5.926 0.428) 6.182 12.166 ( -6.903 1.796 1.768) 7.349 12.264 ( -12.405 7.990 -0.870) 14.781 13.055 ( 5.499 -2.853 -0.278) 6.201 13.072 ( 4.092 -2.795 -0.452) 4.976 13.386 ( -0.729 -14.573 2.333) 14.776 13.455 ( -7.617 -15.024 -0.132) 16.845 13.963 ( 1.635 -16.847 -2.172) 17.065 13.976 ( 0.523 -16.054 -2.577) 16.268 15.790 ( 2.931 -8.675 -0.418) 9.167 15.838 ( -1.426 -7.332 -2.064) 7.750 15.949 ( 1.826 -6.518 1.530) 6.940 15.997 ( -2.670 -5.311 0.470) 5.963 16.493 ( 0.108 -13.844 -0.225) 13.846 16.502 ( -0.739 -13.169 -0.986) 13.226 16.704 ( 2.641 -13.224 1.997) 13.632 16.738 ( -0.583 -13.155 0.515) 13.178 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.941 ( 0.000 14.796 2.531) 15.011 1.967 ( 0.000 14.794 2.133) 14.947 2.268 ( 0.000 8.332 -2.430) 8.680 2.355 ( 0.000 8.373 -2.730) 8.807 2.443 ( 0.000 0.610 1.527) 1.645 2.490 ( 0.000 5.567 -11.194) 12.502 2.669 ( 0.000 4.420 -4.690) 6.445 2.729 ( 0.000 -1.600 0.755) 1.769 2.947 ( 0.000 5.014 6.607) 8.294 2.963 ( 0.000 6.731 -1.526) 6.902 3.121 ( 0.000 6.602 1.508) 6.772 3.240 ( 0.000 2.775 5.955) 6.570 3.419 ( 0.000 9.125 6.912) 11.448 3.516 ( 0.000 -0.465 0.075) 0.471 3.589 ( 0.000 10.842 -1.520) 10.948 3.623 ( 0.000 5.966 4.119) 7.250 3.663 ( 0.000 11.078 -0.841) 11.110 3.754 ( 0.000 2.719 2.218) 3.509 3.820 ( 0.000 19.527 2.298) 19.662 3.927 ( 0.000 17.027 -3.239) 17.332 4.052 ( 0.000 11.986 -6.707) 13.735 4.149 ( 0.000 33.821 6.979) 34.533 4.273 ( 0.000 -3.496 -10.832) 11.383 4.428 ( 0.000 10.265 4.320) 11.137 4.528 ( 0.000 2.308 5.746) 6.192 4.551 ( 0.000 21.593 -7.298) 22.793 4.580 ( 0.000 6.109 -3.575) 7.078 4.766 ( 0.000 2.736 -1.556) 3.148 4.830 ( 0.000 19.176 0.094) 19.176 4.873 ( 0.000 13.713 -0.884) 13.742 4.950 ( 0.000 9.373 -0.311) 9.378 5.042 ( 0.000 -2.321 -0.163) 2.327 5.202 ( 0.000 11.728 3.179) 12.151 5.293 ( 0.000 6.689 5.588) 8.716 5.297 ( 0.000 10.563 -2.060) 10.762 5.500 ( 0.000 2.486 -2.816) 3.756 6.802 ( 0.000 6.133 0.761) 6.180 6.817 ( 0.000 5.559 0.105) 5.560 7.236 ( 0.000 0.112 0.981) 0.988 7.289 ( 0.000 1.605 -1.666) 2.314 7.635 ( 0.000 -3.551 0.196) 3.556 7.750 ( 0.000 -6.436 -4.063) 7.612 7.842 ( 0.000 -13.444 8.046) 15.668 8.116 ( 0.000 -10.263 -2.539) 10.572 8.834 ( 0.000 5.270 0.223) 5.275 8.854 ( 0.000 7.493 -0.548) 7.513 9.343 ( 0.000 -0.783 -3.338) 3.429 9.379 ( 0.000 -1.577 -5.406) 5.631 9.582 ( 0.000 -0.677 4.312) 4.365 9.696 ( 0.000 0.894 0.844) 1.229 9.733 ( 0.000 -0.582 9.309) 9.327 9.884 ( 0.000 -4.759 -0.412) 4.777 9.942 ( 0.000 -4.697 -1.593) 4.960 10.001 ( 0.000 -4.067 0.930) 4.172 10.277 ( 0.000 0.266 -0.771) 0.815 10.384 ( 0.000 8.079 -10.629) 13.351 10.597 ( 0.000 12.527 0.392) 12.533 10.636 ( 0.000 13.527 -1.588) 13.620 11.250 ( 0.000 3.112 8.394) 8.952 11.406 ( 0.000 17.940 3.072) 18.201 11.617 ( 0.000 9.075 -4.661) 10.202 11.619 ( 0.000 -3.677 9.798) 10.465 11.710 ( 0.000 10.597 -1.988) 10.782 11.859 ( 0.000 7.083 1.353) 7.211 11.953 ( 0.000 2.833 -1.983) 3.457 12.100 ( 0.000 8.484 3.944) 9.356 12.147 ( 0.000 11.544 2.965) 11.919 12.239 ( 0.000 4.070 -5.595) 6.919 12.363 ( 0.000 -4.103 -1.582) 4.398 12.366 ( 0.000 -15.508 -6.652) 16.874 12.687 ( 0.000 -7.000 3.905) 8.015 12.827 ( 0.000 -6.554 -1.550) 6.735 13.249 ( 0.000 -7.812 7.141) 10.584 13.502 ( 0.000 -13.516 -3.306) 13.914 13.596 ( 0.000 -13.723 -3.625) 14.193 13.603 ( 0.000 -11.690 -3.844) 12.306 15.516 ( 0.000 -9.835 0.595) 9.853 15.714 ( 0.000 -5.925 -7.785) 9.783 15.797 ( 0.000 -6.295 5.525) 8.376 15.985 ( 0.000 -3.991 -0.997) 4.114 16.221 ( 0.000 -14.845 3.261) 15.199 16.316 ( 0.000 -11.605 -0.665) 11.624 16.357 ( 0.000 -11.584 1.775) 11.720 16.417 ( 0.000 -12.927 -0.425) 12.934 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 3.098 14.242 2.036) 14.716 2.011 ( 4.846 13.422 2.993) 14.581 2.249 ( -2.669 6.870 -4.570) 8.672 2.370 ( 2.099 5.749 -0.372) 6.132 2.432 ( -0.493 3.898 -0.496) 3.960 2.482 ( -0.312 5.924 -11.733) 13.147 2.638 ( -3.216 2.862 2.245) 4.855 2.827 ( 3.884 -0.122 4.261) 5.767 2.903 ( 3.170 7.116 -1.559) 7.945 3.055 ( 2.946 4.427 -4.272) 6.821 3.113 ( 0.081 4.603 3.295) 5.661 3.142 ( -6.496 4.260 8.426) 11.460 3.382 ( -0.880 3.608 -0.849) 3.810 3.475 ( -7.014 7.131 -2.674) 10.354 3.545 ( 1.386 4.918 7.307) 8.916 3.633 ( -0.487 9.091 -1.762) 9.273 3.715 ( -0.213 7.283 -1.181) 7.381 3.764 ( -1.084 16.355 4.462) 16.988 3.790 ( 0.482 6.638 2.376) 7.067 3.917 ( -1.590 19.677 -1.392) 19.790 4.109 ( -0.897 7.123 -3.273) 7.890 4.121 ( -0.430 14.308 -3.481) 14.731 4.216 ( 1.795 23.393 2.936) 23.645 4.341 ( -7.348 13.099 4.228) 15.603 4.515 ( 0.229 4.857 -3.687) 6.102 4.574 ( 0.873 15.265 -6.332) 16.549 4.649 ( 4.009 6.412 -1.256) 7.666 4.736 ( -3.864 16.346 -3.000) 17.063 4.862 ( 1.889 11.926 0.145) 12.075 4.898 ( 4.151 7.239 4.680) 9.567 4.950 ( -0.149 10.751 -1.843) 10.909 5.090 ( 3.797 2.276 -0.961) 4.530 5.215 ( 0.965 9.730 2.978) 10.221 5.250 ( -3.167 12.084 1.422) 12.573 5.322 ( 1.819 3.315 1.696) 4.144 5.485 ( -1.513 1.493 -2.612) 3.367 6.809 ( 1.501 7.128 1.413) 7.420 6.866 ( 4.217 4.154 -0.739) 5.965 7.117 ( -7.857 3.329 2.561) 8.909 7.279 ( -4.741 -0.923 -4.199) 6.400 7.645 ( 2.156 -4.343 1.537) 5.087 7.746 ( -0.076 -10.476 -1.199) 10.545 7.906 ( 4.884 -8.668 4.072) 10.750 8.105 ( -1.106 -9.380 -1.911) 9.637 8.861 ( 2.556 3.771 0.729) 4.614 8.923 ( 5.747 6.801 -1.682) 9.062 9.252 ( -6.519 -2.374 -1.352) 7.069 9.328 ( -3.941 2.707 -4.607) 6.640 9.636 ( 3.787 -2.560 4.783) 6.616 9.788 ( 5.231 2.682 5.839) 8.286 9.836 ( 11.709 -3.018 3.437) 12.571 9.944 ( 3.400 -5.104 -0.916) 6.201 10.022 ( 5.530 -0.453 2.102) 5.934 10.066 ( 10.547 -3.978 -1.166) 11.332 10.277 ( -0.194 1.194 -1.273) 1.756 10.413 ( 3.149 7.098 -10.394) 12.975 10.600 ( 0.205 10.304 -0.923) 10.347 10.635 ( 0.132 15.257 -1.782) 15.361 11.116 ( -12.866 -1.236 8.549) 15.497 11.423 ( 0.200 12.675 2.315) 12.886 11.517 ( -13.787 -0.815 -4.336) 14.475 11.542 ( -6.004 2.621 2.757) 7.108 11.622 ( -6.152 8.736 0.608) 10.702 11.783 ( -9.454 9.124 -0.291) 13.142 11.861 ( 2.775 4.893 -1.119) 5.736 12.044 ( -3.467 6.802 -2.047) 7.904 12.191 ( 4.456 7.848 7.146) 11.512 12.284 ( 2.181 4.521 0.208) 5.024 12.333 ( -4.405 -0.857 1.060) 4.611 12.536 ( 4.768 0.928 -7.351) 8.811 12.733 ( 5.393 -8.291 2.414) 10.181 12.788 ( 2.439 -10.225 0.146) 10.513 13.229 ( -2.624 -8.261 5.094) 10.054 13.393 ( -8.690 -11.086 -1.956) 14.221 13.612 ( 1.484 -14.213 -3.595) 14.735 13.646 ( 2.080 -14.122 -4.467) 14.957 15.547 ( 2.934 -9.304 0.302) 9.761 15.707 ( -0.801 -7.277 -4.784) 8.745 15.800 ( 0.642 -6.022 2.740) 6.647 15.948 ( -3.178 -5.600 -0.820) 6.491 16.222 ( 0.063 -13.848 2.945) 14.158 16.307 ( -2.248 -9.665 0.201) 9.925 16.377 ( 3.689 -12.901 1.603) 13.514 16.458 ( 2.755 -12.367 -0.913) 12.703 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 4.698 11.660 0.791) 12.596 2.135 ( 1.507 9.433 3.616) 10.214 2.187 ( 2.922 7.647 -4.088) 9.150 2.353 ( -6.102 4.468 -3.429) 8.304 2.431 ( 0.712 7.930 -1.549) 8.111 2.505 ( -6.762 6.322 4.353) 10.229 2.581 ( 10.752 3.243 -4.287) 12.021 2.812 ( -9.879 -0.203 1.829) 10.049 2.986 ( 3.979 6.894 -1.777) 8.156 3.007 ( 1.104 3.970 -0.866) 4.211 3.124 ( 1.175 3.232 2.946) 4.528 3.178 ( 0.326 3.582 3.154) 4.784 3.384 ( 1.944 3.064 -2.057) 4.171 3.429 ( 4.388 4.233 -5.831) 8.436 3.552 ( -3.969 6.979 2.298) 8.351 3.607 ( 0.179 6.838 5.955) 9.069 3.628 ( -5.031 3.338 -3.008) 6.745 3.706 ( -5.403 6.731 2.830) 9.083 3.817 ( 1.912 16.454 0.601) 16.576 3.867 ( -2.968 18.948 -0.607) 19.188 4.046 ( 2.585 14.080 2.484) 14.530 4.156 ( -7.053 15.115 3.254) 16.994 4.256 ( 6.013 13.943 -2.306) 15.359 4.308 ( 1.795 21.471 2.844) 21.733 4.516 ( 0.574 10.857 -5.626) 12.242 4.564 ( -2.707 13.440 -4.612) 14.465 4.673 ( -0.530 14.490 -0.765) 14.520 4.686 ( -0.659 13.518 -1.501) 13.617 4.889 ( 2.056 9.332 0.551) 9.572 4.930 ( -1.615 8.989 -0.543) 9.149 5.018 ( 6.240 10.556 1.647) 12.373 5.122 ( -3.043 8.881 -1.417) 9.494 5.204 ( 0.693 8.235 3.242) 8.877 5.226 ( -0.375 8.380 1.862) 8.592 5.374 ( 3.412 -0.397 -0.017) 3.436 5.441 ( -3.029 -0.376 -1.745) 3.516 6.865 ( 4.223 7.357 2.205) 8.764 6.965 ( -1.800 6.755 0.882) 7.046 6.984 ( 2.323 1.016 -0.063) 2.536 7.135 ( -8.582 -0.350 -3.476) 9.265 7.702 ( 2.777 -7.680 0.493) 8.181 7.739 ( -0.974 -10.317 -0.289) 10.366 8.000 ( 4.395 -7.018 1.587) 8.431 8.070 ( -2.670 -7.835 -0.380) 8.286 8.923 ( 3.676 2.670 0.374) 4.559 8.987 ( -1.281 4.675 -2.238) 5.339 9.187 ( 1.527 -0.017 -0.546) 1.622 9.253 ( -3.770 3.515 -3.294) 6.117 9.710 ( 4.328 -2.936 6.857) 8.623 9.798 ( -3.839 -3.243 7.313) 8.873 10.061 ( 7.971 -0.620 -4.813) 9.332 10.104 ( 12.415 -3.450 1.549) 12.978 10.148 ( 2.935 1.935 1.545) 3.840 10.244 ( 2.323 -0.311 2.965) 3.779 10.305 ( 6.852 7.013 1.654) 9.943 10.457 ( -3.208 7.400 -2.790) 8.534 10.606 ( 2.640 10.214 -5.459) 11.879 10.668 ( 1.427 11.783 -5.041) 12.895 10.882 ( -3.483 -6.255 2.372) 7.542 11.121 ( -20.717 -5.509 -5.722) 22.188 11.393 ( -2.717 0.032 3.021) 4.063 11.418 ( -5.630 -2.378 3.360) 6.974 11.592 ( 1.194 13.705 -2.171) 13.928 11.643 ( -4.557 12.088 -2.106) 13.089 11.973 ( 8.442 3.513 0.705) 9.171 12.066 ( 5.561 8.098 -0.656) 9.845 12.158 ( -8.483 3.459 2.897) 9.609 12.208 ( -7.150 5.246 3.059) 9.380 12.346 ( 4.010 8.983 2.988) 10.281 12.442 ( -6.673 8.436 0.098) 10.757 12.934 ( 11.268 -8.357 -0.128) 14.029 12.956 ( 10.903 -8.158 -0.354) 13.621 13.135 ( -6.776 -9.871 2.023) 12.142 13.196 ( -10.973 -10.491 -0.570) 15.192 13.644 ( 1.529 -15.067 -3.832) 15.621 13.663 ( -0.229 -15.231 -4.358) 15.844 15.615 ( 3.687 -8.681 -0.402) 9.440 15.677 ( -2.411 -8.514 -1.604) 8.993 15.828 ( 2.230 -6.279 0.222) 6.667 15.883 ( -3.204 -6.756 -0.404) 7.489 16.229 ( 0.834 -12.361 2.294) 12.600 16.259 ( -2.216 -11.011 1.433) 11.323 16.455 ( 3.404 -11.627 0.397) 12.122 16.490 ( 0.041 -11.726 -0.681) 11.745 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.000 9.226 -0.365) 9.234 2.211 ( 0.000 9.929 -0.764) 9.958 2.389 ( 0.000 3.357 -0.119) 3.359 2.464 ( 0.000 2.425 2.996) 3.855 2.480 ( 0.000 4.392 -2.737) 5.175 2.603 ( 0.000 4.507 -4.094) 6.089 2.691 ( 0.000 -1.227 0.120) 1.232 2.761 ( 0.000 4.257 -3.637) 5.599 3.044 ( 0.000 5.784 9.070) 10.757 3.109 ( 0.000 8.055 -1.333) 8.165 3.270 ( 0.000 1.057 5.826) 5.921 3.277 ( 0.000 8.239 -4.637) 9.454 3.486 ( 0.000 -1.409 1.617) 2.145 3.518 ( 0.000 2.759 7.879) 8.348 3.685 ( 0.000 1.038 2.484) 2.692 3.713 ( 0.000 1.927 -5.594) 5.916 3.742 ( 0.000 0.635 1.249) 1.401 3.817 ( 0.000 2.056 -1.741) 2.694 4.094 ( 0.000 -0.922 -9.230) 9.276 4.100 ( 0.000 7.557 5.097) 9.115 4.196 ( 0.000 -3.791 -9.014) 9.779 4.279 ( 0.000 9.639 -0.778) 9.670 4.443 ( 0.000 -0.927 6.572) 6.637 4.583 ( 0.000 4.629 -1.480) 4.860 4.593 ( 0.000 -3.082 -0.792) 3.182 4.679 ( 0.000 -2.506 0.009) 2.506 4.767 ( 0.000 16.929 3.257) 17.239 4.848 ( 0.000 4.679 0.061) 4.680 5.022 ( 0.000 8.897 2.460) 9.230 5.118 ( 0.000 17.043 -4.776) 17.700 5.236 ( 0.000 18.172 1.522) 18.235 5.342 ( 0.000 20.247 -2.004) 20.346 5.472 ( 0.000 16.577 4.366) 17.142 5.586 ( 0.000 16.063 -1.353) 16.120 5.596 ( 0.000 17.841 0.131) 17.841 5.652 ( 0.000 12.073 -1.617) 12.181 6.932 ( 0.000 5.460 0.268) 5.466 6.953 ( 0.000 8.549 -0.350) 8.556 7.253 ( 0.000 1.530 0.972) 1.813 7.320 ( 0.000 1.221 -2.065) 2.399 7.447 ( 0.000 -13.473 1.665) 13.575 7.576 ( 0.000 -11.525 -2.577) 11.809 7.647 ( 0.000 -7.215 6.950) 10.018 7.886 ( 0.000 -10.926 -2.843) 11.290 8.943 ( 0.000 6.027 2.296) 6.449 9.022 ( 0.000 8.820 -0.156) 8.822 9.342 ( 0.000 0.205 -3.480) 3.486 9.358 ( 0.000 0.887 -1.823) 2.028 9.604 ( 0.000 3.209 -1.827) 3.693 9.642 ( 0.000 -4.043 -0.318) 4.056 9.813 ( 0.000 -0.176 1.122) 1.135 9.846 ( 0.000 6.636 4.217) 7.863 9.888 ( 0.000 0.507 -0.669) 0.840 9.987 ( 0.000 1.986 0.350) 2.016 10.341 ( 0.000 6.556 1.657) 6.762 10.537 ( 0.000 6.039 -11.853) 13.303 10.858 ( 0.000 12.853 2.171) 13.035 10.928 ( 0.000 14.981 -1.472) 15.053 11.185 ( 0.000 -7.014 10.668) 12.767 11.552 ( 0.000 -3.515 10.862) 11.416 11.604 ( 0.000 -9.023 -3.899) 9.829 11.721 ( 0.000 9.649 -4.008) 10.448 11.859 ( 0.000 -6.178 -1.704) 6.408 11.862 ( 0.000 4.704 3.444) 5.830 11.992 ( 0.000 1.768 -1.973) 2.650 12.068 ( 0.000 -6.670 4.915) 8.286 12.181 ( 0.000 -0.784 3.613) 3.697 12.263 ( 0.000 -5.194 -2.607) 5.812 12.353 ( 0.000 8.134 1.381) 8.251 12.373 ( 0.000 5.599 -3.672) 6.696 12.649 ( 0.000 2.543 2.045) 3.263 12.758 ( 0.000 -0.412 -3.106) 3.133 13.139 ( 0.000 -3.104 2.951) 4.283 13.250 ( 0.000 -11.117 -0.796) 11.146 13.361 ( 0.000 -10.681 -4.884) 11.745 13.382 ( 0.000 -11.030 -5.977) 12.546 15.352 ( 0.000 -6.487 1.088) 6.577 15.602 ( 0.000 -5.426 -9.219) 10.697 15.675 ( 0.000 -6.173 6.742) 9.141 15.891 ( 0.000 -6.057 -0.490) 6.076 15.932 ( 0.000 -13.610 2.835) 13.902 16.069 ( 0.000 -11.827 -2.965) 12.193 16.192 ( 0.000 -6.569 2.413) 6.998 16.206 ( 0.000 -8.479 1.321) 8.581 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 2.425 9.139 -0.675) 9.480 2.233 ( 2.526 8.987 -0.226) 9.338 2.359 ( -3.072 4.320 -1.760) 5.585 2.455 ( -0.177 3.026 -1.265) 3.285 2.485 ( 1.267 2.458 3.109) 4.161 2.589 ( -1.183 3.765 -4.593) 6.056 2.667 ( -2.056 0.228 1.608) 2.620 2.830 ( 2.996 0.478 -2.338) 3.831 3.038 ( 1.039 5.674 5.069) 7.679 3.141 ( 2.149 5.762 -1.409) 6.309 3.221 ( -1.288 4.755 4.751) 6.844 3.254 ( -5.942 8.515 -1.198) 10.452 3.412 ( 1.437 1.333 -0.032) 1.960 3.577 ( -6.982 3.143 -6.532) 10.065 3.589 ( 1.465 0.275 9.926) 10.038 3.702 ( 0.345 1.204 -2.048) 2.400 3.787 ( -3.072 0.530 -2.936) 4.283 3.883 ( 4.989 2.455 5.545) 7.852 3.971 ( -5.452 3.426 7.011) 9.520 4.167 ( 1.633 1.940 -4.407) 5.085 4.203 ( 2.764 -2.649 -10.684) 11.349 4.268 ( -0.980 11.623 -1.511) 11.761 4.469 ( 1.930 4.020 1.749) 4.790 4.519 ( -3.502 1.726 -3.089) 4.978 4.610 ( -0.938 2.636 1.595) 3.220 4.696 ( -0.536 1.559 -0.178) 1.658 4.816 ( 5.465 5.717 3.396) 8.607 4.868 ( 2.452 0.620 0.602) 2.600 5.015 ( -0.084 11.817 2.487) 12.076 5.141 ( 2.175 15.832 -4.834) 16.696 5.215 ( -2.416 18.070 2.291) 18.374 5.342 ( -0.584 17.073 -1.662) 17.164 5.480 ( 0.780 17.544 3.933) 17.997 5.570 ( -1.561 17.841 -0.683) 17.922 5.604 ( 0.900 17.975 -0.612) 18.008 5.648 ( -0.333 13.195 -1.830) 13.326 6.946 ( 1.405 5.027 0.290) 5.227 6.972 ( 1.898 7.409 -0.655) 7.676 7.182 ( -5.308 2.899 1.280) 6.182 7.259 ( -5.772 -1.490 -2.306) 6.392 7.486 ( 2.731 -12.098 2.171) 12.591 7.549 ( -0.180 -6.847 1.830) 7.090 7.745 ( 6.205 -9.072 1.708) 11.123 7.892 ( 0.448 -10.462 -2.395) 10.742 8.955 ( 1.393 5.899 2.304) 6.484 9.076 ( 4.881 8.183 -1.413) 9.632 9.237 ( -5.963 1.996 0.160) 6.290 9.404 ( 0.465 4.177 -6.365) 7.628 9.605 ( 1.635 0.227 2.981) 3.407 9.752 ( 9.343 -5.723 -1.081) 11.010 9.835 ( -1.200 2.968 4.341) 5.394 9.878 ( 6.080 -1.994 -0.848) 6.454 10.001 ( 9.482 -0.375 0.740) 9.518 10.092 ( 10.310 5.838 0.327) 11.853 10.352 ( 1.366 6.342 1.484) 6.655 10.559 ( 2.847 5.299 -11.277) 12.781 10.809 ( -4.506 8.898 2.838) 10.370 10.947 ( 0.716 15.314 -2.876) 15.598 11.038 ( -12.227 -2.995 7.385) 14.595 11.372 ( -17.682 -10.760 -4.430) 21.168 11.517 ( -7.339 -2.667 7.155) 10.591 11.612 ( -11.130 3.373 6.711) 13.428 11.782 ( 1.062 6.615 -3.335) 7.483 11.888 ( -5.844 1.842 -4.223) 7.441 11.935 ( 1.518 2.660 0.385) 3.087 12.165 ( 1.096 1.696 0.120) 2.023 12.216 ( 1.000 -1.595 1.682) 2.524 12.271 ( 3.783 -3.968 3.463) 6.484 12.329 ( 5.257 -1.738 4.472) 7.117 12.578 ( 8.454 4.477 -2.624) 9.920 12.669 ( 2.469 0.112 1.176) 2.737 12.712 ( -0.955 2.892 -1.814) 3.545 13.111 ( -3.077 -3.232 2.271) 5.007 13.187 ( -6.109 -9.475 -0.219) 11.276 13.363 ( 0.356 -11.403 -5.306) 12.582 13.387 ( 0.184 -12.222 -6.279) 13.742 15.387 ( 3.243 -6.639 0.381) 7.399 15.567 ( -2.654 -6.736 -4.047) 8.294 15.675 ( 0.036 -6.909 1.124) 7.000 15.812 ( -5.429 -8.312 -1.113) 9.990 15.969 ( 2.953 -10.915 3.550) 11.852 16.136 ( 0.080 -8.483 -1.460) 8.608 16.161 ( 2.831 -8.247 2.916) 9.194 16.250 ( 2.554 -8.646 0.097) 9.016 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 1.941 8.084 -0.574) 8.333 2.293 ( -2.998 6.113 -1.141) 6.904 2.318 ( 5.693 6.126 -1.357) 8.472 2.426 ( -4.083 3.114 -2.283) 5.620 2.535 ( 2.271 2.388 2.931) 4.410 2.572 ( -1.091 1.756 0.916) 2.261 2.644 ( 3.559 2.100 0.748) 4.200 2.787 ( -7.336 -2.079 0.234) 7.628 3.074 ( 1.575 3.126 -0.081) 3.501 3.108 ( -2.325 4.189 -4.247) 6.403 3.234 ( 4.206 9.004 1.014) 9.989 3.289 ( 2.209 8.596 2.217) 9.148 3.421 ( 1.034 1.926 -2.274) 3.155 3.499 ( -1.622 3.015 -5.439) 6.427 3.604 ( -0.004 -0.081 6.637) 6.638 3.674 ( -6.026 2.660 -2.279) 6.970 3.705 ( 1.031 2.873 3.041) 4.309 3.782 ( -6.698 0.673 10.052) 12.098 4.056 ( 6.339 5.772 3.198) 9.150 4.154 ( -3.504 7.914 0.440) 8.666 4.280 ( 4.290 3.644 -5.547) 7.903 4.294 ( 3.191 1.943 -9.339) 10.058 4.443 ( -2.790 5.166 -2.404) 6.344 4.462 ( -3.906 7.037 -0.818) 8.089 4.613 ( 2.209 0.844 1.216) 2.659 4.662 ( -2.433 1.565 -0.552) 2.945 4.918 ( 3.341 -2.718 2.306) 4.885 4.925 ( 2.254 -3.691 1.667) 4.635 5.043 ( 3.181 16.011 2.762) 16.556 5.129 ( -4.729 18.709 2.414) 19.448 5.213 ( 3.979 13.970 -3.183) 14.870 5.298 ( -3.883 13.100 -2.037) 13.815 5.502 ( 1.446 19.388 2.755) 19.636 5.534 ( -1.836 19.846 1.083) 19.961 5.626 ( 1.089 17.742 -1.634) 17.850 5.641 ( -0.443 16.007 -1.998) 16.137 6.989 ( 2.946 3.877 0.101) 4.870 7.019 ( 2.091 3.586 -1.421) 4.387 7.090 ( -2.914 5.117 1.323) 6.036 7.139 ( -5.684 0.960 -1.102) 5.869 7.531 ( 1.786 -9.917 2.549) 10.394 7.552 ( -0.245 -7.293 2.276) 7.644 7.845 ( 3.795 -8.963 -0.436) 9.744 7.890 ( -0.988 -9.507 -1.574) 9.687 9.004 ( 3.720 5.858 1.434) 7.086 9.092 ( -4.721 6.405 -1.069) 8.028 9.231 ( 6.393 4.534 -0.921) 7.892 9.354 ( -5.201 6.582 -5.436) 9.996 9.676 ( 4.992 -0.026 6.138) 7.912 9.772 ( -4.388 1.132 5.906) 7.444 9.978 ( 11.937 -7.949 0.331) 14.345 10.052 ( 9.466 -0.775 -4.575) 10.542 10.131 ( 1.561 -6.886 2.410) 7.461 10.223 ( -2.349 3.648 -1.491) 4.588 10.480 ( 13.691 6.765 1.694) 15.365 10.653 ( 3.777 -2.338 -5.292) 6.909 10.706 ( -3.133 9.017 0.543) 9.561 10.785 ( -11.260 4.150 -0.161) 12.001 10.959 ( -0.713 12.213 -3.932) 12.850 11.035 ( -12.713 -2.690 -5.893) 14.268 11.354 ( -6.471 -0.225 8.497) 10.682 11.384 ( -9.566 -0.313 5.764) 11.173 11.788 ( -0.179 5.937 -5.071) 7.810 11.804 ( -2.352 4.286 -4.879) 6.907 12.017 ( 7.076 1.018 2.884) 7.708 12.155 ( -3.848 0.856 -0.556) 3.981 12.238 ( -0.311 2.695 4.382) 5.154 12.268 ( -0.471 -0.186 4.159) 4.190 12.448 ( 5.300 0.673 4.952) 7.284 12.543 ( -5.134 2.067 0.737) 5.584 12.813 ( 10.053 -3.042 -0.276) 10.507 12.852 ( 10.065 -0.003 -0.258) 10.068 13.007 ( -8.142 -4.157 0.529) 9.157 13.034 ( -8.696 -5.182 0.351) 10.129 13.374 ( 0.667 -12.540 -5.906) 13.877 13.385 ( -0.390 -13.005 -6.364) 14.484 15.458 ( 3.577 -7.029 -0.984) 7.948 15.517 ( -2.552 -7.445 -1.889) 8.093 15.682 ( 0.968 -8.609 -0.936) 8.714 15.723 ( -3.378 -9.245 -1.226) 9.919 16.026 ( 2.839 -7.806 4.016) 9.226 16.084 ( -3.095 -6.696 3.227) 8.051 16.250 ( 3.581 -9.227 -0.444) 9.908 16.283 ( 0.278 -9.234 -0.741) 9.268 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 0.000 4.576 -1.490) 4.813 2.355 ( 0.000 4.483 -2.307) 5.042 2.417 ( 0.000 1.069 0.542) 1.198 2.537 ( 0.000 0.778 -4.067) 4.140 2.540 ( 0.000 4.368 3.843) 5.818 2.631 ( 0.000 0.925 4.532) 4.625 2.706 ( 0.000 1.102 -2.413) 2.653 2.814 ( 0.000 0.850 -2.977) 3.096 3.188 ( 0.000 8.164 7.917) 11.372 3.249 ( 0.000 4.251 -0.485) 4.279 3.316 ( 0.000 4.948 4.991) 7.028 3.387 ( 0.000 2.020 -1.519) 2.527 3.486 ( 0.000 1.927 2.986) 3.554 3.594 ( 0.000 5.342 -1.168) 5.468 3.691 ( 0.000 0.218 -1.083) 1.105 3.705 ( 0.000 -1.261 -2.136) 2.481 3.727 ( 0.000 -2.010 -1.438) 2.472 3.850 ( 0.000 1.442 -2.589) 2.964 4.029 ( 0.000 -2.957 -5.236) 6.013 4.104 ( 0.000 -5.597 6.549) 8.615 4.144 ( 0.000 -0.754 -7.482) 7.520 4.214 ( 0.000 -9.801 2.581) 10.135 4.458 ( 0.000 -9.139 1.490) 9.260 4.543 ( 0.000 -6.676 -3.925) 7.744 4.581 ( 0.000 8.744 1.067) 8.809 4.691 ( 0.000 2.666 -1.893) 3.269 4.942 ( 0.000 6.356 3.837) 7.424 4.952 ( 0.000 5.800 2.366) 6.264 5.362 ( 0.000 17.613 0.330) 17.616 5.434 ( 0.000 13.222 -2.629) 13.481 5.553 ( 0.000 13.145 2.628) 13.405 5.659 ( 0.000 11.675 -1.867) 11.823 5.776 ( 0.000 12.943 2.616) 13.205 5.842 ( 0.000 9.947 -1.092) 10.007 5.913 ( 0.000 13.461 -0.458) 13.469 5.922 ( 0.000 12.859 -0.305) 12.863 6.996 ( 0.000 -0.129 -1.210) 1.217 7.042 ( 0.000 -4.237 -4.503) 6.183 7.263 ( 0.000 1.262 -0.268) 1.291 7.290 ( 0.000 1.625 1.676) 2.334 7.347 ( 0.000 -8.549 -3.297) 9.163 7.353 ( 0.000 1.229 -0.537) 1.341 7.508 ( 0.000 -6.781 8.462) 10.844 7.715 ( 0.000 -7.001 -0.861) 7.053 9.071 ( 0.000 6.800 3.180) 7.507 9.164 ( 0.000 5.009 -0.044) 5.009 9.351 ( 0.000 -1.207 0.636) 1.364 9.418 ( 0.000 6.732 -3.505) 7.590 9.538 ( 0.000 -5.896 0.367) 5.908 9.675 ( 0.000 3.001 -7.986) 8.531 9.861 ( 0.000 6.322 1.187) 6.432 9.987 ( 0.000 8.121 -1.251) 8.217 10.007 ( 0.000 7.881 3.753) 8.729 10.057 ( 0.000 5.257 2.844) 5.977 10.505 ( 0.000 8.608 2.153) 8.873 10.556 ( 0.000 -5.354 -5.001) 7.326 10.959 ( 0.000 -1.342 4.947) 5.125 11.179 ( 0.000 2.042 -4.183) 4.655 11.227 ( 0.000 11.911 -0.418) 11.918 11.238 ( 0.000 -13.002 -1.756) 13.120 11.461 ( 0.000 -5.428 12.849) 13.949 11.764 ( 0.000 -4.903 -2.584) 5.542 11.891 ( 0.000 6.164 0.828) 6.219 11.911 ( 0.000 0.985 6.986) 7.055 11.985 ( 0.000 -3.552 2.194) 4.175 12.027 ( 0.000 1.462 -0.551) 1.562 12.124 ( 0.000 -3.952 7.837) 8.777 12.151 ( 0.000 -5.945 -2.904) 6.617 12.453 ( 0.000 3.832 -6.002) 7.121 12.490 ( 0.000 6.214 -5.175) 8.086 12.744 ( 0.000 5.759 1.440) 5.936 12.776 ( 0.000 0.882 -3.867) 3.966 13.087 ( 0.000 -5.225 -2.304) 5.711 13.090 ( 0.000 -4.768 3.906) 6.164 13.165 ( 0.000 -9.088 -4.969) 10.358 13.186 ( 0.000 -6.714 -3.275) 7.470 15.271 ( 0.000 -1.526 0.741) 1.696 15.504 ( 0.000 -4.219 -7.722) 8.799 15.557 ( 0.000 -5.573 5.969) 8.166 15.654 ( 0.000 -12.696 1.559) 12.792 15.800 ( 0.000 -4.322 -1.542) 4.589 15.872 ( 0.000 -7.924 -4.976) 9.357 16.077 ( 0.000 -4.718 3.693) 5.992 16.084 ( 0.000 -4.409 3.655) 5.727 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 2.358 4.169 -1.885) 5.147 2.364 ( 0.769 4.416 -1.923) 4.878 2.416 ( -0.269 1.810 -0.077) 1.832 2.511 ( -0.673 2.534 -1.725) 3.139 2.538 ( -1.189 2.651 1.841) 3.439 2.614 ( -1.322 0.351 4.426) 4.633 2.675 ( -2.172 0.240 -2.255) 3.141 2.820 ( -1.506 -1.766 -3.201) 3.954 3.142 ( -1.493 5.427 7.067) 9.034 3.264 ( -2.429 5.002 -0.323) 5.570 3.323 ( 2.867 6.429 3.773) 7.986 3.441 ( 1.152 7.179 -3.835) 8.220 3.458 ( 1.954 4.797 1.828) 5.492 3.541 ( -2.810 -2.573 3.293) 5.035 3.663 ( -1.783 4.517 -2.912) 5.663 3.706 ( 1.483 -0.926 0.472) 1.811 3.791 ( -0.144 0.359 -2.698) 2.726 3.889 ( -4.668 -2.206 5.399) 7.471 3.962 ( 2.586 -2.108 1.892) 3.835 4.083 ( 2.996 -4.254 -6.730) 8.507 4.174 ( 2.907 -1.646 -4.652) 5.727 4.279 ( 0.264 -8.371 -3.659) 9.140 4.501 ( 1.993 -7.004 1.525) 7.440 4.529 ( 1.729 -3.881 -0.434) 4.271 4.619 ( 3.518 4.500 0.279) 5.719 4.683 ( -1.416 2.213 -3.185) 4.129 4.899 ( -3.787 5.344 4.536) 7.967 4.912 ( -3.520 4.572 3.711) 6.860 5.367 ( 0.668 16.890 0.488) 16.910 5.445 ( 1.028 12.735 -2.775) 13.074 5.528 ( -2.446 12.896 2.364) 13.338 5.621 ( -3.314 10.641 -0.888) 11.181 5.801 ( 2.286 13.751 2.038) 14.088 5.873 ( 2.185 11.752 -1.142) 12.008 5.918 ( -0.071 12.990 -0.522) 13.001 5.924 ( 0.879 13.282 -0.635) 13.326 7.008 ( 1.109 0.652 -1.071) 1.674 7.060 ( 1.560 -2.550 -4.542) 5.438 7.205 ( -4.193 0.482 -0.357) 4.236 7.234 ( -3.899 0.935 -0.763) 4.081 7.341 ( 2.972 -0.492 2.561) 3.954 7.440 ( 1.206 -3.610 2.276) 4.435 7.557 ( 5.262 -8.862 2.404) 10.583 7.717 ( 0.101 -7.864 -0.959) 7.923 9.091 ( 2.042 7.789 3.220) 8.672 9.212 ( 4.943 5.343 0.257) 7.283 9.349 ( -4.280 8.800 -1.328) 9.876 9.439 ( 6.759 -0.913 -1.945) 7.092 9.601 ( 6.296 -6.705 0.226) 9.200 9.668 ( -1.730 2.775 -6.526) 7.299 9.894 ( 3.114 4.972 0.103) 5.868 9.940 ( -2.236 7.012 1.274) 7.469 10.041 ( 2.380 3.534 6.200) 7.523 10.199 ( 10.932 3.770 -0.011) 11.564 10.484 ( -3.189 4.588 0.525) 5.612 10.533 ( -1.533 -7.364 -4.443) 8.736 10.863 ( -7.026 -0.541 3.462) 7.851 11.085 ( -8.351 -2.446 -3.901) 9.536 11.205 ( -1.133 5.691 -1.621) 6.025 11.223 ( -2.844 9.848 -1.170) 10.317 11.440 ( -1.933 -4.158 12.303) 13.130 11.634 ( -11.526 -0.780 3.632) 12.110 11.859 ( 0.354 1.193 -1.440) 1.903 11.898 ( -4.570 -0.491 -5.120) 6.880 11.958 ( -0.216 -0.085 1.320) 1.340 12.095 ( 5.452 -3.107 3.297) 7.089 12.173 ( 3.025 -4.395 2.185) 5.765 12.209 ( 0.940 -5.320 9.050) 10.540 12.345 ( 1.482 6.613 -7.456) 10.076 12.654 ( 1.952 2.085 -4.216) 5.092 12.732 ( 4.515 4.182 1.638) 6.368 12.778 ( 0.211 3.655 -1.950) 4.148 13.036 ( -4.897 -5.897 2.673) 8.118 13.075 ( -1.696 -2.785 -0.641) 3.324 13.155 ( -0.754 -9.430 -5.374) 10.879 13.177 ( -0.844 -7.553 -4.184) 8.675 15.295 ( 2.304 -2.433 -0.225) 3.358 15.450 ( -3.737 -4.979 -3.212) 7.005 15.535 ( -1.625 -6.849 0.056) 7.040 15.619 ( -4.490 -10.415 -0.415) 11.350 15.825 ( 4.737 -4.021 0.944) 6.284 15.967 ( 5.400 -7.775 -3.386) 10.054 16.053 ( -0.928 -3.687 4.955) 6.246 16.112 ( 1.425 -5.552 2.101) 6.105 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 0.480 4.863 -1.416) 5.088 2.378 ( 0.234 3.055 -2.307) 3.836 2.421 ( 2.240 3.597 -1.018) 4.358 2.482 ( -2.953 2.515 -2.326) 4.523 2.553 ( 2.675 0.359 2.187) 3.474 2.590 ( -1.313 0.295 2.511) 2.849 2.652 ( 1.197 -0.961 0.376) 1.581 2.737 ( -5.944 -2.876 -1.375) 6.745 3.144 ( 1.243 4.455 3.343) 5.707 3.188 ( -3.428 4.626 0.175) 5.761 3.426 ( 5.258 8.809 -1.122) 10.320 3.465 ( 0.293 1.400 0.847) 1.662 3.505 ( 3.749 11.982 -1.104) 12.603 3.526 ( 1.492 -2.239 3.458) 4.382 3.603 ( -3.876 3.874 2.307) 5.946 3.676 ( -8.624 -1.702 3.022) 9.296 3.758 ( 2.813 1.318 0.537) 3.153 3.802 ( -2.169 2.064 2.064) 3.637 4.084 ( 5.753 -0.675 2.272) 6.223 4.135 ( 0.812 -3.928 -6.742) 7.845 4.237 ( 1.764 -4.332 -3.196) 5.665 4.258 ( -0.940 -7.914 -8.779) 11.857 4.482 ( 1.710 -2.298 -3.034) 4.172 4.579 ( -5.034 -5.737 -4.450) 8.835 4.674 ( 4.021 5.480 1.828) 7.039 4.688 ( 2.725 5.302 2.138) 6.333 4.832 ( -2.427 -0.037 5.121) 5.667 4.840 ( -3.084 0.164 4.824) 5.728 5.397 ( 2.452 15.233 1.054) 15.465 5.455 ( -2.475 13.258 0.874) 13.515 5.489 ( 1.424 11.789 -1.126) 11.928 5.549 ( -3.768 10.461 -0.769) 11.146 5.849 ( 2.345 14.720 1.306) 14.963 5.884 ( -1.057 14.660 0.413) 14.704 5.932 ( 1.181 12.233 -1.486) 12.380 5.940 ( 0.402 12.961 -1.314) 13.034 7.038 ( 1.945 1.798 -1.047) 2.848 7.075 ( -1.093 1.320 -3.073) 3.518 7.150 ( 0.000 0.351 -0.498) 0.610 7.181 ( -2.210 3.017 -1.582) 4.060 7.393 ( 2.317 -2.885 3.975) 5.431 7.430 ( -1.469 -4.472 4.590) 6.574 7.657 ( 4.125 -9.311 -1.297) 10.266 7.709 ( -1.281 -9.043 -1.330) 9.230 9.153 ( 4.244 9.009 2.198) 10.198 9.249 ( -5.280 9.360 0.733) 10.771 9.347 ( 8.208 6.783 -2.356) 10.905 9.499 ( -5.460 7.502 -6.910) 11.569 9.695 ( 8.655 0.517 4.682) 9.854 9.776 ( 8.594 -7.193 3.036) 11.611 9.869 ( -2.986 3.447 2.931) 5.421 9.983 ( -2.835 -6.366 4.731) 8.423 10.041 ( 4.937 -0.407 -3.539) 6.088 10.267 ( -11.284 -1.436 -4.746) 12.325 10.465 ( 6.519 -5.659 -0.426) 8.643 10.525 ( 0.132 -8.061 -2.549) 8.455 10.814 ( 4.217 6.440 3.618) 8.505 10.971 ( -6.494 -0.656 -0.908) 6.589 11.089 ( -1.900 18.195 -2.816) 18.509 11.188 ( -5.279 10.768 -4.616) 12.850 11.399 ( -1.733 1.411 9.521) 9.779 11.425 ( -6.586 2.529 7.200) 10.080 11.835 ( -1.291 -0.273 -7.049) 7.172 11.843 ( -1.596 0.407 -8.865) 9.017 11.998 ( 4.775 -2.372 5.075) 7.361 12.110 ( -5.752 -4.189 3.226) 7.814 12.209 ( 4.470 -3.607 4.480) 7.284 12.247 ( 0.929 -2.432 4.954) 5.596 12.455 ( 6.638 2.505 -0.396) 7.106 12.578 ( -5.814 2.251 -0.845) 6.292 12.809 ( 3.639 0.846 0.203) 3.741 12.891 ( 7.835 2.272 -0.297) 8.163 12.916 ( -6.564 -3.859 2.538) 8.026 13.015 ( -4.683 0.175 0.025) 4.686 13.147 ( 0.118 -10.109 -6.092) 11.804 13.158 ( -0.897 -9.183 -5.680) 10.835 15.348 ( 2.689 -3.952 -1.844) 5.123 15.393 ( -2.199 -4.911 -2.402) 5.892 15.509 ( -0.407 -8.207 -1.325) 8.324 15.536 ( -3.193 -9.121 -1.545) 9.787 15.922 ( 4.425 -2.982 3.366) 6.309 15.988 ( -2.290 -3.181 3.007) 4.940 16.089 ( 3.267 -7.093 0.244) 7.813 16.126 ( -0.382 -6.761 0.461) 6.787 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 0.000 1.632 -1.545) 2.247 2.385 ( 0.000 -0.186 -1.746) 1.756 2.463 ( 0.000 2.817 0.440) 2.851 2.513 ( 0.000 -2.239 -0.648) 2.331 2.618 ( 0.000 3.263 2.011) 3.833 2.658 ( 0.000 -0.227 0.265) 0.349 2.732 ( 0.000 2.715 0.612) 2.783 2.794 ( 0.000 -2.628 -1.497) 3.025 3.297 ( 0.000 1.758 1.415) 2.256 3.308 ( 0.000 2.166 4.129) 4.663 3.405 ( 0.000 1.374 3.131) 3.419 3.406 ( 0.000 2.402 3.861) 4.547 3.569 ( 0.000 5.239 2.984) 6.029 3.626 ( 0.000 -1.357 -4.266) 4.476 3.684 ( 0.000 -1.462 -3.551) 3.840 3.691 ( 0.000 -0.647 -0.570) 0.863 3.763 ( 0.000 5.635 -4.201) 7.029 3.840 ( 0.000 -2.289 -5.763) 6.201 3.982 ( 0.000 -4.336 4.538) 6.277 4.022 ( 0.000 -7.388 2.413) 7.772 4.058 ( 0.000 4.926 -0.228) 4.931 4.155 ( 0.000 -0.618 -4.580) 4.622 4.299 ( 0.000 -3.646 1.333) 3.882 4.382 ( 0.000 -8.199 -3.074) 8.756 4.706 ( 0.000 3.693 0.320) 3.707 4.732 ( 0.000 0.742 -0.707) 1.025 5.037 ( 0.000 2.697 2.695) 3.813 5.039 ( 0.000 2.459 2.373) 3.417 5.602 ( 0.000 6.155 -1.234) 6.278 5.613 ( 0.000 4.603 -1.105) 4.734 5.747 ( 0.000 6.512 2.010) 6.815 5.795 ( 0.000 2.053 -0.579) 2.133 5.956 ( 0.000 5.105 2.023) 5.492 5.974 ( 0.000 3.165 0.868) 3.281 6.100 ( 0.000 5.033 -0.679) 5.078 6.102 ( 0.000 4.832 -0.653) 4.876 6.922 ( 0.000 -3.770 -7.238) 8.161 6.931 ( 0.000 -3.998 -6.541) 7.666 7.279 ( 0.000 1.568 1.249) 2.005 7.321 ( 0.000 -0.054 -1.255) 1.256 7.332 ( 0.000 1.308 3.542) 3.776 7.366 ( 0.000 -2.872 7.614) 8.138 7.454 ( 0.000 5.400 0.550) 5.428 7.585 ( 0.000 -6.602 -0.966) 6.673 9.196 ( 0.000 5.063 0.468) 5.085 9.226 ( 0.000 1.508 -1.347) 2.022 9.333 ( 0.000 0.174 2.695) 2.701 9.401 ( 0.000 -5.923 2.285) 6.349 9.587 ( 0.000 7.634 -3.131) 8.251 9.692 ( 0.000 -2.134 -6.093) 6.456 10.029 ( 0.000 8.267 -0.953) 8.321 10.085 ( 0.000 1.648 -2.630) 3.103 10.138 ( 0.000 6.176 3.131) 6.925 10.223 ( 0.000 6.524 -0.674) 6.559 10.401 ( 0.000 -4.303 4.509) 6.233 10.554 ( 0.000 -7.925 -0.691) 7.955 10.929 ( 0.000 -3.248 3.998) 5.151 10.949 ( 0.000 -0.894 4.009) 4.108 11.330 ( 0.000 2.198 3.133) 3.827 11.356 ( 0.000 -2.386 6.292) 6.729 11.481 ( 0.000 10.542 -1.871) 10.707 11.650 ( 0.000 -6.560 -6.017) 8.901 11.910 ( 0.000 -0.896 0.923) 1.287 11.919 ( 0.000 -0.281 5.508) 5.515 11.997 ( 0.000 2.482 1.549) 2.926 12.038 ( 0.000 -1.716 1.763) 2.460 12.046 ( 0.000 -2.290 -0.660) 2.383 12.055 ( 0.000 -2.380 7.674) 8.034 12.550 ( 0.000 5.665 -9.705) 11.237 12.602 ( 0.000 3.306 -14.241) 14.619 12.766 ( 0.000 0.097 0.659) 0.666 12.837 ( 0.000 0.722 -2.599) 2.697 12.929 ( 0.000 -4.809 -1.190) 4.954 12.999 ( 0.000 -6.522 -2.095) 6.850 13.076 ( 0.000 1.531 4.450) 4.706 13.123 ( 0.000 -2.386 1.952) 3.083 15.297 ( 0.000 4.215 -0.175) 4.218 15.428 ( 0.000 -7.697 -1.948) 7.940 15.455 ( 0.000 -2.722 -1.143) 2.952 15.469 ( 0.000 -2.921 2.360) 3.755 15.743 ( 0.000 -1.183 -3.035) 3.257 15.762 ( 0.000 -3.230 -4.689) 5.693 16.017 ( 0.000 -1.406 4.702) 4.908 16.022 ( 0.000 -1.801 4.538) 4.883 ======================= Grid point 111 (47/72) ======================= q-point: ( 0.20 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 1.754 1.441 -1.608) 2.782 2.401 ( 1.555 0.017 -1.762) 2.350 2.463 ( -0.037 2.752 0.097) 2.754 2.511 ( -0.192 -1.972 -0.912) 2.181 2.592 ( -2.002 2.766 1.696) 3.812 2.633 ( -2.004 -0.731 0.430) 2.176 2.692 ( -3.480 3.067 0.010) 4.639 2.765 ( -3.318 -3.570 -1.896) 5.229 3.248 ( -1.842 4.993 4.991) 7.296 3.313 ( -0.833 -0.545 2.927) 3.092 3.440 ( 3.864 3.199 4.148) 6.509 3.479 ( 1.464 -1.329 3.822) 4.303 3.501 ( -2.279 4.413 1.709) 5.252 3.595 ( -0.839 -0.875 -0.322) 1.255 3.695 ( 1.717 3.204 -1.188) 3.825 3.745 ( 1.728 0.858 -1.575) 2.490 3.814 ( 1.564 2.555 -4.077) 5.059 3.849 ( -3.347 0.667 -1.062) 3.575 3.878 ( 2.585 -3.241 -6.038) 7.324 4.041 ( 0.939 -10.059 -2.613) 10.435 4.128 ( 3.745 5.401 0.299) 6.579 4.217 ( 2.085 3.449 -2.738) 4.872 4.311 ( 2.257 -8.824 1.755) 9.275 4.379 ( -0.163 -8.807 -1.753) 8.981 4.717 ( 1.478 3.199 0.323) 3.538 4.734 ( 0.421 1.352 -0.732) 1.595 4.986 ( -4.799 2.645 3.268) 6.380 4.990 ( -4.640 2.298 3.190) 6.081 5.599 ( -0.137 6.176 -1.160) 6.286 5.615 ( 0.247 4.223 -1.370) 4.447 5.713 ( -2.910 5.800 1.960) 6.779 5.750 ( -3.590 2.276 0.206) 4.256 5.996 ( 3.333 5.791 1.342) 6.815 6.022 ( 3.643 3.235 0.228) 4.877 6.103 ( 0.038 5.112 -0.520) 5.138 6.107 ( 0.562 4.766 -0.678) 4.847 6.966 ( 3.970 -2.976 -6.051) 7.826 6.969 ( 3.947 -3.037 -6.065) 7.848 7.232 ( -3.426 3.256 2.413) 5.307 7.288 ( -2.162 0.050 -0.241) 2.176 7.371 ( 1.440 0.862 5.613) 5.858 7.422 ( 4.489 -4.114 1.263) 6.219 7.438 ( -1.152 4.681 1.080) 4.941 7.569 ( -1.452 -7.308 -0.804) 7.494 9.251 ( 4.605 8.016 2.088) 9.478 9.299 ( 7.244 3.506 -0.269) 8.052 9.392 ( 6.778 -2.886 0.550) 7.387 9.436 ( 3.841 -7.382 1.167) 8.403 9.551 ( -3.083 9.008 -2.127) 9.756 9.689 ( -1.263 -3.218 -6.514) 7.374 10.047 ( 0.945 8.027 -0.092) 8.083 10.085 ( 0.263 7.454 0.256) 7.463 10.135 ( -5.344 4.771 4.140) 8.274 10.231 ( 3.361 1.048 -0.132) 3.523 10.342 ( -3.359 -9.125 0.698) 9.748 10.426 ( -11.830 -10.058 -1.798) 15.632 10.914 ( 1.936 6.823 5.384) 8.904 11.028 ( 4.126 -2.599 1.133) 5.006 11.290 ( -3.590 0.921 7.363) 8.243 11.349 ( -1.365 -1.885 4.352) 4.935 11.477 ( -0.279 10.019 -2.760) 10.396 11.605 ( -3.940 -1.718 -6.029) 7.404 11.832 ( -5.553 -2.833 1.303) 6.369 11.837 ( -4.851 -4.632 -3.005) 7.349 11.990 ( 0.359 3.914 3.689) 5.391 12.068 ( 2.504 -1.862 3.053) 4.366 12.103 ( 2.428 -1.345 4.770) 5.519 12.133 ( 4.503 -2.256 4.384) 6.677 12.503 ( -0.456 8.735 -9.630) 13.009 12.642 ( 0.590 -3.891 -10.623) 11.328 12.809 ( 3.564 3.555 -0.190) 5.037 12.848 ( -0.725 3.993 1.745) 4.417 12.903 ( -1.330 -6.742 -4.127) 8.016 12.960 ( -2.303 -7.237 -1.457) 7.733 13.065 ( -1.111 0.944 3.047) 3.378 13.107 ( -1.683 -2.266 1.632) 3.261 15.297 ( 0.181 2.566 -1.208) 2.842 15.372 ( -3.265 -3.624 -2.037) 5.286 15.429 ( -2.360 -3.102 -1.318) 4.114 15.449 ( -2.803 -5.470 -0.173) 6.149 15.792 ( 5.329 0.554 -1.142) 5.478 15.844 ( 5.822 -4.566 -2.581) 7.837 16.010 ( -0.568 -0.595 4.697) 4.768 16.030 ( 0.303 -2.663 3.682) 4.554 ======================= Grid point 112 (48/72) ======================= q-point: ( 0.40 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 1.805 1.785 -1.679) 3.043 2.441 ( 1.856 1.250 -2.204) 3.141 2.458 ( -0.028 1.576 -0.911) 1.820 2.498 ( -1.837 -1.308 -2.323) 3.237 2.573 ( 0.960 1.912 1.517) 2.623 2.610 ( -0.382 0.249 1.114) 1.204 2.623 ( -2.096 0.111 -0.006) 2.099 2.677 ( -4.838 -3.135 -1.187) 5.886 3.249 ( 1.749 5.897 5.338) 8.145 3.293 ( -1.628 5.192 4.206) 6.877 3.397 ( -1.206 -4.871 6.968) 8.587 3.450 ( -4.804 -5.977 5.702) 9.556 3.576 ( 6.565 6.193 0.673) 9.050 3.644 ( 2.171 2.888 -2.727) 4.527 3.709 ( -0.130 -0.884 0.892) 1.263 3.755 ( -2.486 2.151 -1.042) 3.448 3.794 ( 1.484 9.049 -2.936) 9.628 3.819 ( -0.558 6.068 -2.543) 6.603 3.990 ( 4.904 -8.713 -6.694) 12.033 4.048 ( -0.853 -11.747 -6.531) 13.468 4.186 ( 1.911 6.313 -0.673) 6.630 4.211 ( -1.191 5.053 -0.748) 5.245 4.345 ( 1.743 -9.081 -2.297) 9.527 4.385 ( -0.756 -10.675 -2.093) 10.904 4.770 ( 3.680 2.763 1.432) 4.819 4.773 ( 4.236 2.372 1.782) 5.172 4.875 ( -5.891 2.223 3.759) 7.333 4.882 ( -5.824 1.656 3.588) 7.038 5.608 ( 1.274 5.976 -0.245) 6.115 5.629 ( 1.232 3.907 -0.784) 4.171 5.654 ( -2.548 5.085 0.901) 5.758 5.680 ( -3.195 2.653 0.085) 4.153 6.059 ( 2.679 6.228 0.566) 6.803 6.083 ( 1.851 4.372 -0.212) 4.752 6.098 ( -0.386 5.020 -0.224) 5.040 6.112 ( -0.286 4.108 -0.657) 4.170 7.055 ( 5.042 0.488 -3.009) 5.892 7.077 ( 6.148 -1.470 -4.737) 7.899 7.158 ( -4.094 2.404 0.637) 4.790 7.209 ( -5.732 -1.316 -2.002) 6.213 7.400 ( 1.351 2.776 4.202) 5.214 7.419 ( -0.726 3.789 2.396) 4.542 7.498 ( 2.920 -6.655 0.345) 7.275 7.539 ( -1.573 -7.839 -0.167) 7.997 9.347 ( 5.143 10.235 1.848) 11.603 9.439 ( -1.247 8.662 0.893) 8.797 9.474 ( 4.482 4.170 -3.480) 7.042 9.565 ( 2.963 -5.447 -2.233) 6.590 9.613 ( 11.493 -2.811 0.776) 11.857 9.668 ( 7.712 -4.281 -0.779) 8.855 9.899 ( -15.547 0.599 5.911) 16.643 9.955 ( -13.031 0.531 2.834) 13.347 10.123 ( 3.006 8.368 -1.175) 8.969 10.202 ( -6.591 0.043 -3.934) 7.676 10.319 ( 3.299 -9.178 -0.834) 9.789 10.338 ( 0.877 -10.279 -1.077) 10.372 10.988 ( 4.861 11.062 4.556) 12.913 11.066 ( -1.545 8.326 1.391) 8.582 11.239 ( 0.237 -7.287 6.998) 10.106 11.293 ( -3.878 -6.226 4.437) 8.572 11.476 ( 0.781 13.853 -3.154) 14.230 11.524 ( -3.899 10.896 -4.031) 12.255 11.756 ( -1.630 -8.479 -4.217) 9.609 11.765 ( -2.274 -9.514 -5.697) 11.320 12.023 ( 2.950 5.421 3.828) 7.263 12.089 ( -2.996 3.287 3.764) 5.827 12.131 ( 3.413 -4.674 5.135) 7.737 12.177 ( -0.401 -4.384 4.218) 6.097 12.559 ( 5.202 7.385 -4.677) 10.172 12.642 ( -1.340 3.210 -4.914) 6.021 12.761 ( -2.162 -5.126 -1.725) 5.825 12.812 ( -5.405 -6.723 -2.663) 9.028 12.940 ( 5.321 2.458 0.299) 5.869 12.987 ( 2.615 -2.859 -0.282) 3.884 13.030 ( -2.306 -0.370 0.447) 2.378 13.058 ( -3.129 -2.305 0.799) 3.968 15.312 ( 1.315 0.400 -2.394) 2.761 15.333 ( -0.877 -1.169 -2.495) 2.892 15.382 ( -1.810 -4.182 -1.920) 4.945 15.389 ( -2.535 -5.149 -1.851) 6.030 15.902 ( 5.031 0.889 1.786) 5.412 15.945 ( 3.285 -2.357 0.510) 4.075 15.989 ( -1.107 -1.743 3.147) 3.764 16.020 ( -1.655 -3.834 2.081) 4.666 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 0.000 -21.332) 21.332 1.083 ( 0.000 0.000 21.332) 21.332 1.162 ( 0.000 0.000 -25.783) 25.783 1.162 ( 0.000 0.000 25.783) 25.783 1.943 ( 0.000 0.000 -32.345) 32.345 1.943 ( 0.000 0.000 32.345) 32.345 2.003 ( 0.000 0.000 -3.911) 3.911 2.003 ( 0.000 0.000 3.911) 3.911 2.284 ( 0.000 0.000 -2.991) 2.991 2.284 ( 0.000 0.000 2.991) 2.991 2.379 ( 0.000 0.000 -1.197) 1.197 2.379 ( 0.000 0.000 1.197) 1.197 2.430 ( 0.000 0.000 -1.672) 1.672 2.430 ( 0.000 0.000 1.672) 1.672 2.568 ( 0.000 0.000 -4.088) 4.088 2.568 ( 0.000 0.000 4.088) 4.088 2.574 ( 0.000 0.000 -5.757) 5.757 2.574 ( 0.000 0.000 5.757) 5.757 2.783 ( 0.000 0.000 -8.512) 8.512 2.783 ( 0.000 0.000 8.512) 8.512 2.939 ( 0.000 0.000 -3.388) 3.388 2.939 ( 0.000 0.000 3.388) 3.388 3.592 ( 0.000 0.000 -20.621) 20.621 3.592 ( 0.000 0.000 20.621) 20.621 4.049 ( 0.000 0.000 -14.118) 14.118 4.049 ( 0.000 0.000 14.118) 14.118 4.405 ( 0.000 0.000 -13.419) 13.419 4.405 ( 0.000 0.000 13.419) 13.419 4.790 ( 0.000 0.000 -0.508) 0.508 4.790 ( 0.000 0.000 0.508) 0.508 5.046 ( 0.000 0.000 -7.189) 7.189 5.046 ( 0.000 0.000 7.189) 7.189 5.387 ( 0.000 0.000 -4.192) 4.192 5.387 ( 0.000 0.000 4.192) 4.192 5.623 ( 0.000 0.000 -0.779) 0.779 5.623 ( 0.000 0.000 0.779) 0.779 6.726 ( 0.000 0.000 -1.457) 1.457 6.726 ( 0.000 0.000 1.457) 1.457 7.519 ( 0.000 0.000 -0.271) 0.271 7.519 ( 0.000 0.000 0.271) 0.271 7.805 ( 0.000 0.000 -13.541) 13.541 7.805 ( 0.000 0.000 13.541) 13.541 8.039 ( 0.000 0.000 -10.981) 10.981 8.039 ( 0.000 0.000 10.981) 10.981 8.546 ( 0.000 0.000 -11.632) 11.632 8.546 ( 0.000 0.000 11.632) 11.632 8.759 ( 0.000 0.000 -2.746) 2.746 8.759 ( 0.000 0.000 2.746) 2.746 9.047 ( 0.000 0.000 -4.226) 4.226 9.047 ( 0.000 0.000 4.226) 4.226 9.756 ( 0.000 0.000 -9.275) 9.275 9.756 ( 0.000 0.000 9.275) 9.275 9.960 ( 0.000 0.000 -1.876) 1.876 9.960 ( 0.000 0.000 1.876) 1.876 10.116 ( 0.000 0.000 -9.103) 9.103 10.116 ( 0.000 0.000 9.103) 9.103 10.595 ( 0.000 0.000 -0.117) 0.117 10.595 ( 0.000 0.000 0.117) 0.117 10.623 ( 0.000 0.000 -14.597) 14.597 10.623 ( 0.000 0.000 14.597) 14.597 11.330 ( 0.000 0.000 -0.915) 0.915 11.330 ( 0.000 0.000 0.915) 0.915 11.430 ( 0.000 0.000 -10.198) 10.198 11.430 ( 0.000 0.000 10.198) 10.198 11.729 ( 0.000 0.000 -0.150) 0.150 11.729 ( 0.000 0.000 0.150) 0.150 11.847 ( 0.000 0.000 -1.455) 1.455 11.847 ( 0.000 0.000 1.455) 1.455 12.570 ( 0.000 0.000 -2.817) 2.817 12.570 ( 0.000 0.000 2.817) 2.817 13.063 ( 0.000 0.000 -3.148) 3.148 13.063 ( 0.000 0.000 3.148) 3.148 13.902 ( 0.000 0.000 -3.247) 3.247 13.902 ( 0.000 0.000 3.247) 3.247 14.537 ( 0.000 0.000 -3.794) 3.794 14.537 ( 0.000 0.000 3.794) 3.794 16.095 ( 0.000 0.000 -1.849) 1.849 16.095 ( 0.000 0.000 1.849) 1.849 16.251 ( 0.000 0.000 -0.358) 0.358 16.251 ( 0.000 0.000 0.358) 0.358 17.006 ( 0.000 0.000 -3.441) 3.441 17.006 ( 0.000 0.000 3.441) 3.441 17.291 ( 0.000 0.000 -3.297) 3.297 17.291 ( 0.000 0.000 3.297) 3.297 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 9.613 0.000 -18.570) 20.910 1.183 ( 9.613 0.000 18.570) 20.910 1.257 ( 9.189 0.000 -22.412) 24.222 1.257 ( 9.189 0.000 22.412) 24.222 1.917 ( -8.418 0.000 -4.976) 9.779 1.917 ( -8.418 0.000 4.976) 9.779 2.080 ( 1.699 0.000 -10.656) 10.790 2.080 ( 1.699 0.000 10.656) 10.790 2.225 ( -0.165 0.000 -28.365) 28.365 2.225 ( -0.165 0.000 28.365) 28.365 2.270 ( -0.796 0.000 -2.618) 2.736 2.270 ( -0.796 0.000 2.618) 2.736 2.376 ( -0.244 0.000 -1.403) 1.424 2.376 ( -0.244 0.000 1.403) 1.424 2.617 ( 3.996 0.000 -3.415) 5.256 2.617 ( 3.996 0.000 3.415) 5.256 2.804 ( 13.526 0.000 -2.713) 13.796 2.804 ( 13.526 0.000 2.713) 13.796 2.885 ( 10.013 0.000 -9.400) 13.734 2.885 ( 10.013 0.000 9.400) 13.734 2.927 ( -1.146 0.000 -3.059) 3.267 2.927 ( -1.146 0.000 3.059) 3.267 3.524 ( -6.300 0.000 -17.343) 18.452 3.524 ( -6.300 0.000 17.343) 18.452 3.958 ( -9.825 0.000 -14.971) 17.907 3.958 ( -9.825 0.000 14.971) 17.907 4.104 ( -23.006 0.000 -15.062) 27.499 4.104 ( -23.006 0.000 15.062) 27.499 4.843 ( 2.297 0.000 -7.717) 8.051 4.843 ( 2.297 0.000 7.717) 8.051 5.135 ( 4.925 0.000 -5.241) 7.192 5.135 ( 4.925 0.000 5.241) 7.192 5.372 ( -0.079 0.000 -4.229) 4.230 5.372 ( -0.079 0.000 4.229) 4.230 5.698 ( 6.244 0.000 -1.189) 6.357 5.698 ( 6.244 0.000 1.189) 6.357 6.662 ( -3.605 0.000 -4.193) 5.530 6.662 ( -3.605 0.000 4.193) 5.530 7.335 ( -11.795 0.000 -9.513) 15.153 7.335 ( -11.795 0.000 9.513) 15.153 8.046 ( 15.518 0.000 -5.969) 16.626 8.046 ( 15.518 0.000 5.969) 16.626 8.066 ( 2.772 0.000 -10.752) 11.103 8.066 ( 2.772 0.000 10.752) 11.103 8.451 ( -7.967 0.000 -10.348) 13.059 8.451 ( -7.967 0.000 10.348) 13.059 8.720 ( -3.855 0.000 -2.168) 4.422 8.720 ( -3.855 0.000 2.168) 4.422 9.143 ( 7.787 0.000 -2.620) 8.216 9.143 ( 7.787 0.000 2.620) 8.216 9.846 ( 6.785 0.000 -7.809) 10.344 9.846 ( 6.785 0.000 7.809) 10.344 9.936 ( -2.329 0.000 -1.641) 2.849 9.936 ( -2.329 0.000 1.641) 2.849 10.071 ( -3.404 0.000 -6.745) 7.555 10.071 ( -3.404 0.000 6.745) 7.555 10.592 ( -0.285 0.000 -0.090) 0.299 10.592 ( -0.285 0.000 0.090) 0.299 10.741 ( 12.617 0.000 -13.385) 18.394 10.741 ( 12.617 0.000 13.385) 18.394 11.327 ( -0.351 0.000 -0.742) 0.821 11.327 ( -0.351 0.000 0.742) 0.821 11.571 ( 10.555 0.000 -9.972) 14.521 11.571 ( 10.555 0.000 9.972) 14.521 11.731 ( 0.199 0.000 -0.210) 0.289 11.731 ( 0.199 0.000 0.210) 0.289 11.848 ( 0.136 0.000 -1.175) 1.182 11.848 ( 0.136 0.000 1.175) 1.182 12.414 ( -14.263 0.000 -2.229) 14.436 12.414 ( -14.263 0.000 2.229) 14.436 12.983 ( -6.387 0.000 -3.453) 7.260 12.983 ( -6.387 0.000 3.453) 7.260 13.914 ( 0.609 0.000 -4.468) 4.510 13.914 ( 0.609 0.000 4.468) 4.510 14.542 ( 0.500 0.000 -3.368) 3.405 14.542 ( 0.500 0.000 3.368) 3.405 16.066 ( -1.446 0.000 -2.749) 3.106 16.066 ( -1.446 0.000 2.749) 3.106 16.260 ( -0.170 0.000 -2.072) 2.079 16.260 ( -0.170 0.000 2.072) 2.079 16.998 ( -0.587 0.000 -2.520) 2.587 16.998 ( -0.587 0.000 2.520) 2.587 17.282 ( -0.715 0.000 -2.715) 2.807 17.282 ( -0.715 0.000 2.715) 2.807 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 13.328 0.000 -12.887) 18.540 1.419 ( 13.328 0.000 12.887) 18.540 1.493 ( 14.330 0.000 -16.252) 21.667 1.493 ( 14.330 0.000 16.252) 21.667 1.702 ( -12.643 0.000 -8.094) 15.012 1.702 ( -12.643 0.000 8.094) 15.012 1.811 ( -16.648 0.000 -10.120) 19.483 1.811 ( -16.648 0.000 10.120) 19.483 2.262 ( -0.125 0.000 -1.166) 1.173 2.262 ( -0.125 0.000 1.166) 1.173 2.372 ( -0.144 0.000 -0.687) 0.702 2.372 ( -0.144 0.000 0.687) 0.702 2.605 ( 23.340 0.000 -23.843) 33.365 2.605 ( 23.340 0.000 23.843) 33.365 2.686 ( 2.288 0.000 -1.573) 2.777 2.686 ( 2.288 0.000 1.573) 2.777 2.902 ( -1.012 0.000 -1.530) 1.834 2.902 ( -1.012 0.000 1.530) 1.834 2.976 ( 1.171 0.000 -9.477) 9.549 2.976 ( 1.171 0.000 9.477) 9.549 3.125 ( 10.302 0.000 -9.918) 14.300 3.125 ( 10.302 0.000 9.918) 14.300 3.371 ( -8.013 0.000 -9.700) 12.582 3.371 ( -8.013 0.000 9.700) 12.582 3.658 ( -12.090 0.000 -11.329) 16.568 3.658 ( -12.090 0.000 11.329) 16.568 3.752 ( -13.094 0.000 -9.554) 16.209 3.752 ( -13.094 0.000 9.554) 16.209 4.885 ( 1.852 0.000 -5.614) 5.911 4.885 ( 1.852 0.000 5.614) 5.911 5.137 ( -2.318 0.000 -1.380) 2.697 5.137 ( -2.318 0.000 1.380) 2.697 5.416 ( 2.558 0.000 -0.896) 2.710 5.416 ( 2.558 0.000 0.896) 2.710 5.802 ( 3.272 0.000 -0.348) 3.290 5.802 ( 3.272 0.000 0.348) 3.290 6.644 ( 0.905 0.000 -4.050) 4.150 6.644 ( 0.905 0.000 4.050) 4.150 7.144 ( -6.305 0.000 -6.633) 9.151 7.144 ( -6.305 0.000 6.633) 9.151 8.144 ( 5.049 0.000 -9.549) 10.802 8.144 ( 5.049 0.000 9.549) 10.802 8.282 ( 7.363 0.000 -2.059) 7.646 8.282 ( 7.363 0.000 2.059) 7.646 8.292 ( -7.385 0.000 -9.178) 11.780 8.292 ( -7.385 0.000 9.178) 11.780 8.634 ( -3.777 0.000 -3.430) 5.101 8.634 ( -3.777 0.000 3.430) 5.101 9.276 ( 4.404 0.000 -0.901) 4.495 9.276 ( 4.404 0.000 0.901) 4.495 9.887 ( -1.916 0.000 -0.748) 2.056 9.887 ( -1.916 0.000 0.748) 2.056 9.939 ( 2.191 0.000 -1.420) 2.611 9.939 ( 2.191 0.000 1.420) 2.611 10.023 ( -1.228 0.000 -3.147) 3.379 10.023 ( -1.228 0.000 3.147) 3.379 10.587 ( -0.164 0.000 -0.032) 0.167 10.587 ( -0.164 0.000 0.032) 0.167 11.081 ( 18.591 0.000 -8.447) 20.420 11.081 ( 18.591 0.000 8.447) 20.420 11.320 ( -0.214 0.000 -0.285) 0.356 11.320 ( -0.214 0.000 0.285) 0.356 11.624 ( -8.257 0.000 -10.118) 13.059 11.624 ( -8.257 0.000 10.118) 13.059 11.735 ( 0.120 0.000 -0.115) 0.166 11.735 ( 0.120 0.000 0.115) 0.166 11.851 ( 0.083 0.000 -0.447) 0.455 11.851 ( 0.083 0.000 0.447) 0.455 12.187 ( -4.384 0.000 -2.606) 5.100 12.187 ( -4.384 0.000 2.606) 5.100 12.875 ( -3.590 0.000 -1.603) 3.932 12.875 ( -3.590 0.000 1.603) 3.932 13.916 ( -0.211 0.000 -2.051) 2.062 13.916 ( -0.211 0.000 2.051) 2.062 14.553 ( 0.450 0.000 -1.374) 1.446 14.553 ( 0.450 0.000 1.374) 1.446 16.065 ( 0.872 0.000 -1.850) 2.045 16.065 ( 0.872 0.000 1.850) 2.045 16.234 ( -1.733 0.000 -1.748) 2.461 16.234 ( -1.733 0.000 1.748) 2.461 16.993 ( 0.016 0.000 -0.871) 0.871 16.993 ( 0.016 0.000 0.871) 0.871 17.270 ( -0.435 0.000 -1.137) 1.218 17.270 ( -0.435 0.000 1.137) 1.218 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 8.969 -21.569) 23.359 1.256 ( 0.000 8.969 21.569) 23.359 1.310 ( 0.000 17.336 -19.139) 25.823 1.310 ( 0.000 17.336 19.139) 25.823 2.072 ( 0.000 16.267 -14.902) 22.061 2.072 ( 0.000 16.267 14.902) 22.061 2.205 ( 0.000 14.365 -3.276) 14.734 2.205 ( 0.000 14.365 3.276) 14.734 2.377 ( 0.000 9.650 -4.024) 10.456 2.377 ( 0.000 9.650 4.024) 10.456 2.492 ( 0.000 7.714 -3.745) 8.575 2.492 ( 0.000 7.714 3.745) 8.575 2.538 ( 0.000 11.697 -4.316) 12.468 2.538 ( 0.000 11.697 4.316) 12.468 2.634 ( 0.000 10.092 -0.017) 10.092 2.634 ( 0.000 10.092 0.017) 10.092 2.749 ( 0.000 16.384 -4.299) 16.938 2.749 ( 0.000 16.384 4.299) 16.938 2.801 ( 0.000 2.962 -7.110) 7.702 2.801 ( 0.000 2.962 7.110) 7.702 3.111 ( 0.000 16.305 -3.399) 16.656 3.111 ( 0.000 16.305 3.399) 16.656 3.573 ( 0.000 -1.442 -19.322) 19.375 3.573 ( 0.000 -1.442 19.322) 19.375 4.058 ( 0.000 1.004 -14.238) 14.273 4.058 ( 0.000 1.004 14.238) 14.273 4.399 ( 0.000 -0.435 -13.206) 13.213 4.399 ( 0.000 -0.435 13.206) 13.213 4.763 ( 0.000 -2.558 -0.713) 2.656 4.763 ( 0.000 -2.558 0.713) 2.656 5.033 ( 0.000 -1.144 -6.740) 6.836 5.033 ( 0.000 -1.144 6.740) 6.836 5.350 ( 0.000 -3.540 -4.109) 5.424 5.350 ( 0.000 -3.540 4.109) 5.424 5.600 ( 0.000 -2.253 -1.288) 2.595 5.600 ( 0.000 -2.253 1.288) 2.595 6.703 ( 0.000 -1.543 -0.549) 1.638 6.703 ( 0.000 -1.543 0.549) 1.638 7.425 ( 0.000 -6.634 -0.668) 6.668 7.425 ( 0.000 -6.634 0.668) 6.668 7.758 ( 0.000 -2.651 -9.660) 10.017 7.758 ( 0.000 -2.651 9.660) 10.017 8.151 ( 0.000 6.267 -5.799) 8.539 8.151 ( 0.000 6.267 5.799) 8.539 8.643 ( 0.000 4.912 -4.598) 6.728 8.643 ( 0.000 4.912 4.598) 6.728 8.827 ( 0.000 10.275 -2.799) 10.649 8.827 ( 0.000 10.275 2.799) 10.649 9.207 ( 0.000 14.438 -3.652) 14.893 9.207 ( 0.000 14.438 3.652) 14.893 9.811 ( 0.000 4.101 -7.997) 8.987 9.811 ( 0.000 4.101 7.997) 8.987 10.109 ( 0.000 12.105 -2.054) 12.278 10.109 ( 0.000 12.105 2.054) 12.278 10.198 ( 0.000 6.058 -11.742) 13.213 10.198 ( 0.000 6.058 11.742) 13.213 10.508 ( 0.000 -2.032 -3.227) 3.814 10.508 ( 0.000 -2.032 3.227) 3.814 10.639 ( 0.000 -1.297 -11.862) 11.933 10.639 ( 0.000 -1.297 11.862) 11.933 11.202 ( 0.000 -7.713 -3.421) 8.437 11.202 ( 0.000 -7.713 3.421) 8.437 11.579 ( 0.000 2.871 -4.655) 5.469 11.579 ( 0.000 2.871 4.655) 5.469 11.687 ( 0.000 2.791 -0.176) 2.796 11.687 ( 0.000 2.791 0.176) 2.796 11.818 ( 0.000 -1.333 -3.344) 3.600 11.818 ( 0.000 -1.333 3.344) 3.600 12.568 ( 0.000 -0.579 -3.276) 3.327 12.568 ( 0.000 -0.579 3.276) 3.327 13.083 ( 0.000 1.337 -3.100) 3.376 13.083 ( 0.000 1.337 3.100) 3.376 13.875 ( 0.000 -2.924 -5.211) 5.975 13.875 ( 0.000 -2.924 5.211) 5.975 14.444 ( 0.000 -9.198 -3.302) 9.773 14.444 ( 0.000 -9.198 3.302) 9.773 16.048 ( 0.000 -4.603 -1.470) 4.832 16.048 ( 0.000 -4.603 1.470) 4.832 16.203 ( 0.000 -4.420 -0.227) 4.426 16.203 ( 0.000 -4.420 0.227) 4.426 16.933 ( 0.000 -7.067 -2.692) 7.562 16.933 ( 0.000 -7.067 2.692) 7.562 17.208 ( 0.000 -8.128 -2.841) 8.611 17.208 ( 0.000 -8.128 2.841) 8.611 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 7.618 8.132 -20.218) 23.086 1.334 ( 7.618 8.132 20.218) 23.086 1.408 ( 9.478 17.206 -17.975) 26.626 1.408 ( 9.478 17.206 17.975) 26.626 2.087 ( -10.858 8.337 -2.058) 13.843 2.087 ( -10.858 8.337 2.058) 13.843 2.134 ( -2.943 12.453 -1.461) 12.879 2.134 ( -2.943 12.453 1.461) 12.879 2.300 ( 2.157 13.017 -17.585) 21.984 2.300 ( 2.157 13.017 17.585) 21.984 2.445 ( 1.146 13.628 -1.475) 13.755 2.445 ( 1.146 13.628 1.475) 13.755 2.581 ( 2.038 17.936 -6.419) 19.159 2.581 ( 2.038 17.936 6.419) 19.159 2.786 ( 4.627 14.850 -4.584) 16.216 2.786 ( 4.627 14.850 4.584) 16.216 2.826 ( 12.605 3.892 -2.133) 13.364 2.826 ( 12.605 3.892 2.133) 13.364 2.900 ( 8.928 2.974 -7.893) 12.283 2.900 ( 8.928 2.974 7.893) 12.283 3.103 ( -0.615 16.120 -2.950) 16.400 3.103 ( -0.615 16.120 2.950) 16.400 3.516 ( -5.436 -0.569 -16.679) 17.551 3.516 ( -5.436 -0.569 16.679) 17.551 3.962 ( -9.689 0.461 -14.402) 17.364 3.962 ( -9.689 0.461 14.402) 17.364 4.107 ( -22.909 0.883 -14.771) 27.272 4.107 ( -22.909 0.883 14.771) 27.272 4.822 ( 3.183 -1.986 -7.338) 8.241 4.822 ( 3.183 -1.986 7.338) 8.241 5.117 ( 4.279 -1.606 -5.118) 6.862 5.117 ( 4.279 -1.606 5.118) 6.862 5.331 ( -0.038 -3.816 -4.013) 5.538 5.331 ( -0.038 -3.816 4.013) 5.538 5.671 ( 5.863 -2.685 -1.323) 6.583 5.671 ( 5.863 -2.685 1.323) 6.583 6.663 ( -2.204 0.313 -3.961) 4.544 6.663 ( -2.204 0.313 3.961) 4.544 7.283 ( -10.465 -4.145 -8.818) 14.299 7.283 ( -10.465 -4.145 8.818) 14.299 7.908 ( 9.988 -5.823 -5.147) 12.656 7.908 ( 9.988 -5.823 5.147) 12.656 8.193 ( 3.990 4.439 -6.518) 8.838 8.193 ( 3.990 4.439 6.518) 8.838 8.612 ( -3.943 11.590 -5.925) 13.601 8.612 ( -3.943 11.590 5.925) 13.601 8.794 ( -1.945 8.462 -0.679) 8.709 8.794 ( -1.945 8.462 0.679) 8.709 9.289 ( 6.945 13.736 -2.772) 15.640 9.289 ( 6.945 13.736 2.772) 15.640 9.856 ( 3.718 1.543 -4.597) 6.111 9.856 ( 3.718 1.543 4.597) 6.111 10.078 ( -2.819 10.369 -1.551) 10.856 10.078 ( -2.819 10.369 1.551) 10.856 10.129 ( -4.597 6.023 -6.077) 9.713 10.129 ( -4.597 6.023 6.077) 9.713 10.540 ( 2.620 -2.775 -2.296) 4.453 10.540 ( 2.620 -2.775 2.296) 4.453 10.795 ( 13.918 3.424 -10.329) 17.667 10.795 ( 13.918 3.424 10.329) 17.667 11.213 ( 0.903 -8.387 -2.677) 8.850 11.213 ( 0.903 -8.387 2.677) 8.850 11.543 ( -1.835 -5.136 -3.894) 6.701 11.543 ( -1.835 -5.136 3.894) 6.701 11.713 ( 0.090 -1.072 -6.102) 6.196 11.713 ( 0.090 -1.072 6.102) 6.196 11.857 ( 3.358 3.674 -2.347) 5.503 11.857 ( 3.358 3.674 2.347) 5.503 12.431 ( -12.887 0.873 -2.244) 13.110 12.431 ( -12.887 0.873 2.244) 13.110 13.019 ( -4.640 2.835 -3.333) 6.378 13.019 ( -4.640 2.835 3.333) 6.378 13.880 ( -0.037 -3.755 -5.123) 6.352 13.880 ( -0.037 -3.755 5.123) 6.352 14.454 ( 1.006 -8.653 -2.795) 9.149 14.454 ( 1.006 -8.653 2.795) 9.149 16.027 ( -0.900 -3.861 -2.122) 4.497 16.027 ( -0.900 -3.861 2.122) 4.497 16.215 ( 0.162 -4.250 -1.775) 4.609 16.215 ( 0.162 -4.250 1.775) 4.609 16.926 ( -0.538 -7.046 -2.108) 7.374 16.926 ( -0.538 -7.046 2.108) 7.374 17.204 ( -0.355 -7.704 -2.450) 8.092 17.204 ( -0.355 -7.704 2.450) 8.092 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 12.179 5.795 -13.316) 18.953 1.534 ( 12.179 5.795 13.316) 18.953 1.637 ( 12.426 17.170 -11.399) 24.066 1.637 ( 12.426 17.170 11.399) 24.066 1.829 ( -13.669 4.952 -7.456) 16.339 1.829 ( -13.669 4.952 7.456) 16.339 1.932 ( -12.541 17.636 -5.678) 22.373 1.932 ( -12.541 17.636 5.678) 22.373 2.384 ( 1.135 12.207 -0.829) 12.288 2.384 ( 1.135 12.207 0.829) 12.288 2.516 ( 2.104 13.423 -0.179) 13.588 2.516 ( 2.104 13.423 0.179) 13.588 2.737 ( 14.230 13.368 -13.359) 23.657 2.737 ( 14.230 13.368 13.359) 23.657 2.859 ( 2.150 15.050 -4.547) 15.868 2.859 ( 2.150 15.050 4.547) 15.868 3.010 ( 4.751 9.025 -6.534) 12.113 3.010 ( 4.751 9.025 6.534) 12.113 3.073 ( 2.335 8.514 -4.757) 10.028 3.073 ( 2.335 8.514 4.757) 10.028 3.157 ( 8.783 6.856 -5.204) 12.298 3.157 ( 8.783 6.856 5.204) 12.298 3.389 ( -6.294 2.163 -8.562) 10.844 3.389 ( -6.294 2.163 8.562) 10.844 3.671 ( -14.452 2.060 -12.559) 19.257 3.671 ( -14.452 2.060 12.559) 19.257 3.731 ( -13.270 -1.740 -9.105) 16.187 3.731 ( -13.270 -1.740 9.105) 16.187 4.881 ( 2.473 -0.399 -5.627) 6.159 4.881 ( 2.473 -0.399 5.627) 6.159 5.107 ( -2.713 -2.919 -1.671) 4.321 5.107 ( -2.713 -2.919 1.671) 4.321 5.379 ( 2.634 -3.481 -0.653) 4.414 5.379 ( 2.634 -3.481 0.653) 4.414 5.769 ( 3.084 -3.343 -0.370) 4.563 5.769 ( 3.084 -3.343 0.370) 4.563 6.659 ( 1.141 1.663 -3.981) 4.463 6.659 ( 1.141 1.663 3.981) 4.463 7.105 ( -6.079 -3.197 -6.262) 9.294 7.105 ( -6.079 -3.197 6.262) 9.294 8.050 ( 4.058 -5.917 -3.956) 8.193 8.050 ( 4.058 -5.917 3.956) 8.193 8.265 ( 1.930 0.759 -4.187) 4.672 8.265 ( 1.930 0.759 4.187) 4.672 8.539 ( -1.936 14.596 -2.616) 14.955 8.539 ( -1.936 14.596 2.616) 14.955 8.752 ( -1.953 12.289 -1.015) 12.484 8.752 ( -1.953 12.289 1.015) 12.484 9.420 ( 4.781 13.094 -1.237) 13.994 9.420 ( 4.781 13.094 1.237) 13.994 9.910 ( 1.091 1.177 -0.831) 1.807 9.910 ( 1.091 1.177 0.831) 1.807 10.032 ( -0.781 5.696 -2.682) 6.344 10.032 ( -0.781 5.696 2.682) 6.344 10.059 ( -2.531 7.570 -2.354) 8.322 10.059 ( -2.531 7.570 2.354) 8.322 10.582 ( 1.174 -0.533 -0.769) 1.502 10.582 ( 1.174 -0.533 0.769) 1.502 11.118 ( 16.271 2.021 -7.927) 18.212 11.118 ( 16.271 2.021 7.927) 18.212 11.227 ( 0.385 -7.685 -1.732) 7.887 11.227 ( 0.385 -7.685 1.732) 7.887 11.528 ( -0.009 -10.076 -5.206) 11.342 11.528 ( -0.009 -10.076 5.206) 11.342 11.639 ( -8.165 -4.652 -5.290) 10.784 11.639 ( -8.165 -4.652 5.290) 10.784 11.883 ( -1.066 4.147 -1.981) 4.718 11.883 ( -1.066 4.147 1.981) 4.718 12.205 ( -6.071 0.839 -1.715) 6.364 12.205 ( -6.071 0.839 1.715) 6.364 12.954 ( -1.687 6.159 -1.511) 6.563 12.954 ( -1.687 6.159 1.511) 6.563 13.870 ( -0.609 -4.995 -2.100) 5.452 13.870 ( -0.609 -4.995 2.100) 5.452 14.475 ( 0.751 -7.843 -1.057) 7.949 14.475 ( 0.751 -7.843 1.057) 7.949 16.034 ( 1.077 -3.173 -1.526) 3.682 16.034 ( 1.077 -3.173 1.526) 3.682 16.195 ( -1.543 -3.747 -1.567) 4.345 16.195 ( -1.543 -3.747 1.567) 4.345 16.921 ( 0.030 -7.038 -0.763) 7.080 16.921 ( 0.030 -7.038 0.763) 7.080 17.197 ( -0.292 -7.203 -1.060) 7.286 17.197 ( -0.292 -7.203 1.060) 7.286 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.000 12.991 -10.154) 16.488 1.481 ( 0.000 12.991 10.154) 16.488 1.638 ( 0.000 16.306 -11.898) 20.185 1.638 ( 0.000 16.306 11.898) 20.185 2.303 ( 0.000 3.198 -7.348) 8.013 2.303 ( 0.000 3.198 7.348) 8.013 2.537 ( 0.000 11.784 -2.614) 12.070 2.537 ( 0.000 11.784 2.614) 12.070 2.657 ( 0.000 19.750 -0.473) 19.756 2.657 ( 0.000 19.750 0.473) 19.756 2.751 ( 0.000 16.312 -7.371) 17.900 2.751 ( 0.000 16.312 7.371) 17.900 2.825 ( 0.000 16.786 -3.908) 17.235 2.825 ( 0.000 16.786 3.908) 17.235 2.880 ( 0.000 20.589 -0.058) 20.589 2.880 ( 0.000 20.589 0.058) 20.589 3.055 ( 0.000 20.558 -0.673) 20.569 3.055 ( 0.000 20.558 0.673) 20.569 3.167 ( 0.000 24.208 -2.367) 24.324 3.167 ( 0.000 24.208 2.367) 24.324 3.513 ( 0.000 19.055 -1.699) 19.131 3.513 ( 0.000 19.055 1.699) 19.131 3.568 ( 0.000 5.811 -12.912) 14.160 3.568 ( 0.000 5.811 12.912) 14.160 4.096 ( 0.000 3.148 -13.715) 14.072 4.096 ( 0.000 3.148 13.715) 14.072 4.408 ( 0.000 2.259 -11.733) 11.949 4.408 ( 0.000 2.259 11.733) 11.949 4.699 ( 0.000 -3.646 -0.704) 3.714 4.699 ( 0.000 -3.646 0.704) 3.714 5.016 ( 0.000 -0.111 -5.647) 5.649 5.016 ( 0.000 -0.111 5.647) 5.649 5.255 ( 0.000 -6.026 -4.415) 7.470 5.255 ( 0.000 -6.026 4.415) 7.470 5.537 ( 0.000 -3.982 -2.712) 4.818 5.537 ( 0.000 -3.982 2.712) 4.818 6.689 ( 0.000 0.389 -0.135) 0.412 6.689 ( 0.000 0.389 0.135) 0.412 7.318 ( 0.000 -4.004 -0.790) 4.081 7.318 ( 0.000 -4.004 0.790) 4.081 7.721 ( 0.000 -1.088 -7.609) 7.686 7.721 ( 0.000 -1.088 7.609) 7.686 8.219 ( 0.000 0.757 -1.837) 1.987 8.219 ( 0.000 0.757 1.837) 1.987 8.685 ( 0.000 1.373 -0.042) 1.374 8.685 ( 0.000 1.373 0.042) 1.374 9.122 ( 0.000 15.217 -3.729) 15.668 9.122 ( 0.000 15.217 3.729) 15.668 9.508 ( 0.000 12.979 -2.050) 13.140 9.508 ( 0.000 12.979 2.050) 13.140 9.893 ( 0.000 4.132 -7.653) 8.697 9.893 ( 0.000 4.132 7.653) 8.697 10.184 ( 0.000 -2.173 -7.247) 7.565 10.184 ( 0.000 -2.173 7.247) 7.565 10.309 ( 0.000 2.407 -4.951) 5.505 10.309 ( 0.000 2.407 4.951) 5.505 10.505 ( 0.000 -6.920 -3.051) 7.563 10.505 ( 0.000 -6.920 3.051) 7.563 10.753 ( 0.000 16.040 -7.791) 17.832 10.753 ( 0.000 16.040 7.791) 17.832 11.052 ( 0.000 -0.078 -3.914) 3.915 11.052 ( 0.000 -0.078 3.914) 3.915 11.638 ( 0.000 7.054 -1.640) 7.242 11.638 ( 0.000 7.054 1.640) 7.242 11.795 ( 0.000 3.710 -4.925) 6.166 11.795 ( 0.000 3.710 4.925) 6.166 11.858 ( 0.000 5.656 -4.398) 7.165 11.858 ( 0.000 5.656 4.398) 7.165 12.535 ( 0.000 -2.835 -3.607) 4.588 12.535 ( 0.000 -2.835 3.607) 4.588 13.079 ( 0.000 -2.592 -1.836) 3.176 13.079 ( 0.000 -2.592 1.836) 3.176 13.777 ( 0.000 -7.217 -8.365) 11.048 13.777 ( 0.000 -7.217 8.365) 11.048 14.194 ( 0.000 -15.525 -2.255) 15.688 14.194 ( 0.000 -15.525 2.255) 15.688 15.922 ( 0.000 -7.966 -0.174) 7.968 15.922 ( 0.000 -7.966 0.174) 7.968 16.101 ( 0.000 -5.371 -1.245) 5.513 16.101 ( 0.000 -5.371 1.245) 5.513 16.749 ( 0.000 -11.083 -1.367) 11.167 16.749 ( 0.000 -11.083 1.367) 11.167 16.988 ( 0.000 -13.675 -2.176) 13.847 16.988 ( 0.000 -13.675 2.176) 13.847 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 5.991 12.560 -13.541) 19.416 1.545 ( 5.991 12.560 13.541) 19.416 1.728 ( 9.171 14.897 -15.735) 23.529 1.728 ( 9.171 14.897 15.735) 23.529 2.170 ( -10.633 4.372 -1.890) 11.651 2.170 ( -10.633 4.372 1.890) 11.651 2.523 ( -6.166 17.102 -5.842) 19.096 2.523 ( -6.166 17.102 5.842) 19.096 2.719 ( 2.618 21.912 -0.494) 22.074 2.719 ( 2.618 21.912 0.494) 22.074 2.743 ( 2.492 20.501 -5.688) 21.421 2.743 ( 2.492 20.501 5.688) 21.421 2.863 ( 8.155 4.265 -6.190) 11.091 2.863 ( 8.155 4.265 6.190) 11.091 2.972 ( 6.593 16.693 -4.030) 18.395 2.972 ( 6.593 16.693 4.030) 18.395 3.102 ( 4.649 21.771 -6.756) 23.264 3.102 ( 4.649 21.771 6.756) 23.264 3.217 ( 4.644 22.670 -4.105) 23.502 3.217 ( 4.644 22.670 4.105) 23.502 3.476 ( -3.154 13.782 -8.261) 16.375 3.476 ( -3.154 13.782 8.261) 16.375 3.553 ( -1.457 12.413 -10.586) 16.379 3.553 ( -1.457 12.413 10.586) 16.379 3.976 ( -11.577 1.098 -12.244) 16.886 3.976 ( -11.577 1.098 12.244) 16.886 4.181 ( -18.207 7.980 -13.365) 23.954 4.181 ( -18.207 7.980 13.365) 23.954 4.770 ( 5.085 -3.098 -5.883) 8.370 4.770 ( 5.085 -3.098 5.883) 8.370 5.081 ( 2.149 -1.729 -4.189) 5.015 5.081 ( 2.149 -1.729 4.189) 5.015 5.235 ( 0.499 -5.518 -3.653) 6.636 5.235 ( 0.499 -5.518 3.653) 6.636 5.594 ( 4.656 -5.080 -2.099) 7.204 5.594 ( 4.656 -5.080 2.099) 7.204 6.684 ( 0.237 1.979 -3.542) 4.065 6.684 ( 0.237 1.979 3.542) 4.065 7.210 ( -8.840 -2.741 -7.655) 12.010 7.210 ( -8.840 -2.741 7.655) 12.010 7.821 ( 7.720 -3.357 -4.358) 9.479 7.821 ( 7.720 -3.357 4.358) 9.479 8.230 ( 0.997 -0.362 -3.339) 3.504 8.230 ( 0.997 -0.362 3.339) 3.504 8.744 ( 3.910 3.249 -0.884) 5.161 8.744 ( 3.910 3.249 0.884) 5.161 9.060 ( -3.702 14.359 -2.291) 15.005 9.060 ( -3.702 14.359 2.291) 15.005 9.591 ( 6.437 13.609 -1.952) 15.180 9.591 ( 6.437 13.609 1.952) 15.180 9.916 ( 2.538 5.205 -2.750) 6.411 9.916 ( 2.538 5.205 2.750) 6.411 10.166 ( -2.715 1.270 -5.147) 5.956 10.166 ( -2.715 1.270 5.147) 5.956 10.264 ( -2.271 1.049 -5.392) 5.944 10.264 ( -2.271 1.049 5.392) 5.944 10.522 ( 2.015 -3.014 -3.283) 4.891 10.522 ( 2.015 -3.014 3.283) 4.891 10.888 ( 10.873 8.152 -4.908) 14.449 10.888 ( 10.873 8.152 4.908) 14.449 11.068 ( 1.980 0.163 -4.365) 4.796 11.068 ( 1.980 0.163 4.365) 4.796 11.532 ( -8.918 4.227 -4.249) 10.745 11.532 ( -8.918 4.227 4.249) 10.745 11.707 ( -3.434 2.011 -6.186) 7.356 11.707 ( -3.434 2.011 6.186) 7.356 11.970 ( 4.636 6.437 -3.024) 8.490 11.970 ( 4.636 6.437 3.024) 8.490 12.429 ( -10.662 -0.949 -2.705) 11.041 12.429 ( -10.662 -0.949 2.705) 11.041 13.051 ( -1.279 -0.568 -2.216) 2.621 13.051 ( -1.279 -0.568 2.216) 2.621 13.754 ( -2.261 -9.069 -6.258) 11.249 13.754 ( -2.261 -9.069 6.258) 11.249 14.217 ( 2.067 -14.800 -1.404) 15.009 14.217 ( 2.067 -14.800 1.404) 15.009 15.919 ( 0.285 -6.971 -0.571) 7.000 15.919 ( 0.285 -6.971 0.571) 7.000 16.112 ( 0.360 -5.745 -1.413) 5.927 16.112 ( 0.360 -5.745 1.413) 5.927 16.739 ( -0.677 -11.272 -1.214) 11.358 16.739 ( -0.677 -11.272 1.214) 11.358 16.995 ( 0.465 -13.082 -1.983) 13.240 16.995 ( 0.465 -13.082 1.983) 13.240 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 8.381 9.955 -11.067) 17.083 1.693 ( 8.381 9.955 11.067) 17.083 1.932 ( -2.401 8.884 -9.910) 13.524 1.932 ( -2.401 8.884 9.910) 13.524 1.985 ( 5.230 13.302 -10.194) 17.556 1.985 ( 5.230 13.302 10.194) 17.556 2.314 ( -12.462 17.400 -8.645) 23.083 2.314 ( -12.462 17.400 8.645) 23.083 2.741 ( 0.446 22.567 -1.167) 22.602 2.741 ( 0.446 22.567 1.167) 22.602 2.841 ( 3.949 17.817 -1.675) 18.326 2.841 ( 3.949 17.817 1.675) 18.326 3.012 ( 6.487 9.197 -2.627) 11.557 3.012 ( 6.487 9.197 2.627) 11.557 3.098 ( 1.183 7.675 -2.545) 8.172 3.098 ( 1.183 7.675 2.545) 8.172 3.237 ( 9.026 16.144 -4.968) 19.151 3.237 ( 9.026 16.144 4.968) 19.151 3.329 ( 5.119 18.394 -9.735) 21.432 3.329 ( 5.119 18.394 9.735) 21.432 3.450 ( 2.998 14.301 -1.471) 14.686 3.450 ( 2.998 14.301 1.471) 14.686 3.530 ( 0.643 18.146 -4.619) 18.735 3.530 ( 0.643 18.146 4.619) 18.735 3.705 ( -13.230 1.263 -7.011) 15.026 3.705 ( -13.230 1.263 7.011) 15.026 3.812 ( -17.453 14.207 -12.971) 25.975 3.812 ( -17.453 14.207 12.971) 25.975 4.871 ( 4.680 -0.555 -5.597) 7.317 4.871 ( 4.680 -0.555 5.597) 7.317 5.032 ( -4.398 -4.283 -2.643) 6.684 5.032 ( -4.398 -4.283 2.643) 6.684 5.292 ( 2.607 -4.922 -0.394) 5.584 5.292 ( 2.607 -4.922 0.394) 5.584 5.672 ( 2.470 -6.455 -0.702) 6.947 5.672 ( 2.470 -6.455 0.702) 6.947 6.714 ( 2.127 3.920 -3.875) 5.908 6.714 ( 2.127 3.920 3.875) 5.908 7.048 ( -5.959 -2.114 -5.794) 8.576 7.048 ( -5.959 -2.114 5.794) 8.576 7.943 ( 3.650 -5.124 -1.827) 6.550 7.943 ( 3.650 -5.124 1.827) 6.550 8.249 ( 0.721 -2.145 -2.666) 3.497 8.249 ( 0.721 -2.145 2.666) 3.497 8.770 ( -0.561 8.187 -1.073) 8.276 8.770 ( -0.561 8.187 1.073) 8.276 9.034 ( 0.208 12.679 -0.839) 12.708 9.034 ( 0.208 12.679 0.839) 12.708 9.715 ( 5.209 14.549 -2.086) 15.594 9.715 ( 5.209 14.549 2.086) 15.594 9.960 ( 0.583 4.886 -2.592) 5.561 9.960 ( 0.583 4.886 2.592) 5.561 10.093 ( -2.809 3.067 -2.496) 4.851 10.093 ( -2.809 3.067 2.496) 4.851 10.253 ( 0.275 4.499 -3.536) 5.729 10.253 ( 0.275 4.499 3.536) 5.729 10.568 ( 1.912 -1.427 -1.577) 2.860 10.568 ( 1.912 -1.427 1.577) 2.860 11.053 ( 4.817 -4.194 -2.243) 6.770 11.053 ( 4.817 -4.194 2.243) 6.770 11.130 ( 1.455 -0.585 -8.149) 8.298 11.130 ( 1.455 -0.585 8.149) 8.298 11.432 ( 1.779 -0.005 -1.242) 2.170 11.432 ( 1.779 -0.005 1.242) 2.170 11.630 ( -4.954 5.588 -5.636) 9.356 11.630 ( -4.954 5.588 5.636) 9.356 12.005 ( -0.741 7.757 -2.151) 8.084 12.005 ( -0.741 7.757 2.151) 8.084 12.204 ( -8.206 -0.693 -0.925) 8.287 12.204 ( -8.206 -0.693 0.925) 8.287 13.053 ( 0.761 3.032 -0.937) 3.263 13.053 ( 0.761 3.032 0.937) 3.263 13.707 ( -1.802 -11.568 -2.123) 11.898 13.707 ( -1.802 -11.568 2.123) 11.898 14.254 ( 1.178 -14.201 -0.322) 14.254 14.254 ( 1.178 -14.201 0.322) 14.254 15.941 ( 1.438 -6.170 -0.732) 6.378 15.941 ( 1.438 -6.170 0.732) 6.378 16.100 ( -1.174 -5.578 -1.017) 5.790 16.100 ( -1.174 -5.578 1.017) 5.790 16.732 ( -0.070 -11.589 -0.473) 11.598 16.732 ( -0.070 -11.589 0.473) 11.598 17.001 ( 0.129 -12.218 -0.900) 12.252 17.001 ( 0.129 -12.218 0.900) 12.252 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.000 13.223 -2.641) 13.484 1.743 ( 0.000 13.223 2.641) 13.484 1.968 ( 0.000 16.914 -4.783) 17.577 1.968 ( 0.000 16.914 4.783) 17.577 2.351 ( 0.000 2.139 -4.263) 4.770 2.351 ( 0.000 2.139 4.263) 4.770 2.636 ( 0.000 3.069 -4.173) 5.180 2.636 ( 0.000 3.069 4.173) 5.180 2.840 ( 0.000 5.027 -2.791) 5.749 2.840 ( 0.000 5.027 2.791) 5.749 3.158 ( 0.000 20.368 -0.955) 20.390 3.158 ( 0.000 20.368 0.955) 20.390 3.247 ( 0.000 12.378 -8.141) 14.815 3.247 ( 0.000 12.378 8.141) 14.815 3.326 ( 0.000 13.875 -2.497) 14.098 3.326 ( 0.000 13.875 2.497) 14.098 3.398 ( 0.000 25.422 -1.678) 25.478 3.398 ( 0.000 25.422 1.678) 25.478 3.639 ( 0.000 11.220 -7.338) 13.406 3.639 ( 0.000 11.220 7.338) 13.406 3.726 ( 0.000 28.130 -10.299) 29.956 3.726 ( 0.000 28.130 10.299) 29.956 3.959 ( 0.000 14.076 -11.730) 18.323 3.959 ( 0.000 14.076 11.730) 18.323 4.214 ( 0.000 12.612 -8.078) 14.977 4.214 ( 0.000 12.612 8.078) 14.977 4.548 ( 0.000 12.846 -7.122) 14.688 4.548 ( 0.000 12.846 7.122) 14.688 4.633 ( 0.000 -2.392 -1.153) 2.655 4.633 ( 0.000 -2.392 1.153) 2.655 5.052 ( 0.000 3.735 -2.759) 4.644 5.052 ( 0.000 3.735 2.759) 4.644 5.123 ( 0.000 -6.072 -5.628) 8.279 5.123 ( 0.000 -6.072 5.628) 8.279 5.452 ( 0.000 -4.249 -4.402) 6.118 5.452 ( 0.000 -4.249 4.402) 6.118 6.724 ( 0.000 3.208 -0.323) 3.224 6.724 ( 0.000 3.208 0.323) 3.224 7.266 ( 0.000 -1.359 -0.136) 1.366 7.266 ( 0.000 -1.359 0.136) 1.366 7.706 ( 0.000 -0.800 -5.124) 5.186 7.706 ( 0.000 -0.800 5.124) 5.186 8.181 ( 0.000 -4.957 -3.357) 5.986 8.181 ( 0.000 -4.957 3.357) 5.986 8.733 ( 0.000 3.858 -0.000) 3.858 8.733 ( 0.000 3.858 0.000) 3.858 9.321 ( 0.000 3.864 -0.897) 3.966 9.321 ( 0.000 3.864 0.897) 3.966 9.650 ( 0.000 2.657 -0.188) 2.664 9.650 ( 0.000 2.657 0.188) 2.664 9.950 ( 0.000 0.798 -7.124) 7.168 9.950 ( 0.000 0.798 7.124) 7.168 10.122 ( 0.000 -12.791 -5.857) 14.068 10.122 ( 0.000 -12.791 5.857) 14.068 10.233 ( 0.000 -0.984 -3.432) 3.570 10.233 ( 0.000 -0.984 3.432) 3.570 10.396 ( 0.000 4.224 -2.699) 5.013 10.396 ( 0.000 4.224 2.699) 5.013 11.093 ( 0.000 17.661 -2.680) 17.863 11.093 ( 0.000 17.661 2.680) 17.863 11.307 ( 0.000 18.844 -4.794) 19.444 11.307 ( 0.000 18.844 4.794) 19.444 11.794 ( 0.000 6.251 -1.692) 6.476 11.794 ( 0.000 6.251 1.692) 6.476 11.902 ( 0.000 6.961 -6.847) 9.764 11.902 ( 0.000 6.961 6.847) 9.764 11.965 ( 0.000 6.405 -4.001) 7.552 11.965 ( 0.000 6.405 4.001) 7.552 12.458 ( 0.000 -5.043 -2.718) 5.729 12.458 ( 0.000 -5.043 2.718) 5.729 12.963 ( 0.000 -9.016 -1.820) 9.198 12.963 ( 0.000 -9.016 1.820) 9.198 13.601 ( 0.000 -10.000 -8.619) 13.202 13.601 ( 0.000 -10.000 8.619) 13.202 13.865 ( 0.000 -17.060 -1.170) 17.100 13.865 ( 0.000 -17.060 1.170) 17.100 15.749 ( 0.000 -9.221 -2.624) 9.587 15.749 ( 0.000 -9.221 2.624) 9.587 16.003 ( 0.000 -4.595 -3.396) 5.714 16.003 ( 0.000 -4.595 3.396) 5.714 16.520 ( 0.000 -11.649 -0.217) 11.651 16.520 ( 0.000 -11.649 0.217) 11.651 16.690 ( 0.000 -15.992 -1.701) 16.082 16.690 ( 0.000 -15.992 1.701) 16.082 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 5.009 12.653 -5.830) 14.805 1.799 ( 5.009 12.653 5.830) 14.805 2.016 ( 5.263 14.304 -9.198) 17.801 2.016 ( 5.263 14.304 9.198) 17.801 2.268 ( -6.233 5.504 -0.783) 8.353 2.268 ( -6.233 5.504 0.783) 8.353 2.702 ( 1.489 4.184 -6.927) 8.228 2.702 ( 1.489 4.184 6.927) 8.228 2.890 ( 4.655 2.734 -3.243) 6.298 2.890 ( 4.655 2.734 3.243) 6.298 3.069 ( -2.696 13.458 -4.180) 14.347 3.069 ( -2.696 13.458 4.180) 14.347 3.236 ( -1.670 18.447 -5.133) 19.220 3.236 ( -1.670 18.447 5.133) 19.220 3.364 ( 1.957 12.771 -4.235) 13.596 3.364 ( 1.957 12.771 4.235) 13.596 3.407 ( -0.246 18.771 -1.608) 18.842 3.407 ( -0.246 18.771 1.608) 18.842 3.652 ( 1.772 14.629 -8.258) 16.892 3.652 ( 1.772 14.629 8.258) 16.892 3.763 ( 2.515 25.178 -12.434) 28.193 3.763 ( 2.515 25.178 12.434) 28.193 3.929 ( -2.581 13.545 -9.336) 16.652 3.929 ( -2.581 13.545 9.336) 16.652 4.100 ( -8.208 17.490 -4.959) 19.947 4.100 ( -8.208 17.490 4.959) 19.947 4.443 ( -9.788 17.002 -8.490) 21.376 4.443 ( -9.788 17.002 8.490) 21.376 4.718 ( 6.929 -0.898 -2.383) 7.382 4.718 ( 6.929 -0.898 2.383) 7.382 5.060 ( -2.142 -1.081 -0.724) 2.506 5.060 ( -2.142 -1.081 0.724) 2.506 5.141 ( 3.491 -1.966 -2.175) 4.559 5.141 ( 3.491 -1.966 2.175) 4.559 5.479 ( 2.405 -6.087 -3.433) 7.391 5.479 ( 2.405 -6.087 3.433) 7.391 6.743 ( 2.199 4.071 -2.769) 5.392 6.743 ( 2.199 4.071 2.769) 5.392 7.180 ( -7.552 -0.435 -6.103) 9.720 7.180 ( -7.552 -0.435 6.103) 9.720 7.764 ( 4.677 -2.813 -3.956) 6.740 7.764 ( 4.677 -2.813 3.956) 6.740 8.180 ( -0.064 -5.016 -2.931) 5.810 8.180 ( -0.064 -5.016 2.931) 5.810 8.800 ( 5.430 3.189 -0.421) 6.311 8.800 ( 5.430 3.189 0.421) 6.311 9.244 ( -5.330 3.664 -0.865) 6.525 9.244 ( -5.330 3.664 0.865) 6.525 9.747 ( 7.500 3.258 -1.841) 8.382 9.747 ( 7.500 3.258 1.841) 8.382 10.025 ( 7.559 2.164 -6.532) 10.222 10.025 ( 7.559 2.164 6.532) 10.222 10.153 ( 0.552 -8.552 -1.302) 8.668 10.153 ( 0.552 -8.552 1.302) 8.668 10.213 ( -0.497 0.737 -3.423) 3.537 10.213 ( -0.497 0.737 3.423) 3.537 10.402 ( 1.494 1.148 -2.726) 3.314 10.402 ( 1.494 1.148 2.726) 3.314 11.130 ( 2.136 13.610 -2.113) 13.938 11.130 ( 2.136 13.610 2.113) 13.938 11.290 ( -2.047 16.323 -6.789) 17.797 11.290 ( -2.047 16.323 6.789) 17.797 11.607 ( -13.086 2.976 -3.860) 13.964 11.607 ( -13.086 2.976 3.860) 13.964 11.820 ( -2.149 7.797 -6.160) 10.167 11.820 ( -2.149 7.797 6.160) 10.167 12.106 ( 5.279 7.926 -2.532) 9.854 12.106 ( 5.279 7.926 2.532) 9.854 12.405 ( -6.748 -1.088 -3.542) 7.698 12.405 ( -6.748 -1.088 3.542) 7.698 12.971 ( 2.468 -7.756 -1.273) 8.238 12.971 ( 2.468 -7.756 1.273) 8.238 13.543 ( -5.222 -11.438 -5.687) 13.800 13.543 ( -5.222 -11.438 5.687) 13.800 13.898 ( 2.545 -16.942 -0.546) 17.141 13.898 ( 2.545 -16.942 0.546) 17.141 15.763 ( 1.479 -8.539 -2.446) 9.004 15.763 ( 1.479 -8.539 2.446) 9.004 16.001 ( -0.374 -5.481 -3.030) 6.274 16.001 ( -0.374 -5.481 3.030) 6.274 16.506 ( -1.093 -11.838 -0.157) 11.889 16.506 ( -1.093 -11.838 0.157) 11.889 16.710 ( 1.625 -15.194 -1.767) 15.382 16.710 ( 1.625 -15.194 1.767) 15.382 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 4.587 10.652 -6.790) 13.439 1.902 ( 4.587 10.652 6.790) 13.439 2.093 ( -2.540 7.951 -7.508) 11.227 2.093 ( -2.540 7.951 7.508) 11.227 2.243 ( 8.666 12.538 -8.420) 17.413 2.243 ( 8.666 12.538 8.420) 17.413 2.561 ( -12.119 8.198 -10.395) 17.948 2.561 ( -12.119 8.198 10.395) 17.948 3.014 ( 6.923 1.545 -0.251) 7.098 3.014 ( 6.923 1.545 0.251) 7.098 3.135 ( 2.335 6.789 -2.751) 7.689 3.135 ( 2.335 6.789 2.751) 7.689 3.185 ( -1.226 14.755 -4.958) 15.614 3.185 ( -1.226 14.755 4.958) 15.614 3.387 ( -0.247 19.283 -1.669) 19.357 3.387 ( -0.247 19.283 1.669) 19.357 3.419 ( 4.773 8.965 -2.182) 10.389 3.419 ( 4.773 8.965 2.182) 10.389 3.599 ( -9.502 4.480 -3.082) 10.948 3.599 ( -9.502 4.480 3.082) 10.948 3.811 ( 4.514 21.704 -4.816) 22.685 3.811 ( 4.514 21.704 4.816) 22.685 3.900 ( -2.922 22.708 -3.951) 23.234 3.900 ( -2.922 22.708 3.951) 23.234 4.037 ( 4.829 25.974 -5.233) 26.933 4.037 ( 4.829 25.974 5.233) 26.933 4.222 ( -11.715 23.981 -9.101) 28.199 4.222 ( -11.715 23.981 9.101) 28.199 4.853 ( 6.397 -1.144 -2.988) 7.153 4.853 ( 6.397 -1.144 2.988) 7.153 4.981 ( -5.047 0.791 -2.272) 5.591 4.981 ( -5.047 0.791 2.272) 5.591 5.207 ( 2.087 -2.784 -0.535) 3.520 5.207 ( 2.087 -2.784 0.535) 3.520 5.522 ( 1.403 -8.416 -1.242) 8.622 5.522 ( 1.403 -8.416 1.242) 8.622 6.810 ( 3.923 5.666 -3.795) 7.867 6.810 ( 3.923 5.666 3.795) 7.867 7.028 ( -6.488 0.011 -5.407) 8.446 7.028 ( -6.488 0.011 5.407) 8.446 7.841 ( 2.387 -5.462 -1.414) 6.126 7.841 ( 2.387 -5.462 1.414) 6.126 8.180 ( 0.083 -5.083 -1.392) 5.271 8.180 ( 0.083 -5.083 1.392) 5.271 8.877 ( 1.675 3.519 -0.752) 3.969 8.877 ( 1.675 3.519 0.752) 3.969 9.177 ( -1.215 2.435 -0.837) 2.847 9.177 ( -1.215 2.435 0.837) 2.847 9.900 ( 7.793 4.187 -5.549) 10.443 9.900 ( 7.793 4.187 5.549) 10.443 10.069 ( -6.295 -0.005 -6.866) 9.315 10.069 ( -6.295 -0.005 6.866) 9.315 10.189 ( 5.963 0.093 -2.386) 6.423 10.189 ( 5.963 0.093 2.386) 6.423 10.242 ( 0.963 9.622 -2.471) 9.981 10.242 ( 0.963 9.622 2.471) 9.981 10.482 ( 5.580 -5.384 -4.399) 8.915 10.482 ( 5.580 -5.384 4.399) 8.915 11.050 ( -8.523 -0.803 -5.341) 10.090 11.050 ( -8.523 -0.803 5.341) 10.090 11.276 ( 1.197 14.259 -2.402) 14.509 11.276 ( 1.197 14.259 2.402) 14.509 11.451 ( -3.271 2.435 -1.210) 4.253 11.451 ( -3.271 2.435 1.210) 4.253 11.829 ( 3.192 11.965 -2.694) 12.673 11.829 ( 3.192 11.965 2.694) 12.673 12.145 ( -2.260 3.283 -0.623) 4.035 12.145 ( -2.260 3.283 0.623) 4.035 12.230 ( -6.350 7.085 -2.774) 9.910 12.230 ( -6.350 7.085 2.774) 9.910 13.059 ( 4.408 -2.701 -0.626) 5.207 13.059 ( 4.408 -2.701 0.626) 5.207 13.436 ( -4.378 -14.849 -1.876) 15.594 13.436 ( -4.378 -14.849 1.876) 15.594 13.937 ( 1.119 -17.302 -0.385) 17.342 13.937 ( 1.119 -17.302 0.385) 17.342 15.798 ( 1.562 -8.091 -1.287) 8.340 15.798 ( 1.562 -8.091 1.287) 8.340 15.985 ( -0.941 -6.025 -1.464) 6.272 15.985 ( -0.941 -6.025 1.464) 6.272 16.490 ( -0.409 -12.286 -0.128) 12.293 16.490 ( -0.409 -12.286 0.128) 12.293 16.737 ( 0.804 -14.023 -0.857) 14.072 16.737 ( 0.804 -14.023 0.857) 14.072 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.000 11.506 -1.001) 11.550 1.989 ( 0.000 11.506 1.001) 11.550 2.280 ( 0.000 13.616 -4.362) 14.298 2.280 ( 0.000 13.616 4.362) 14.298 2.395 ( 0.000 2.858 -2.862) 4.044 2.395 ( 0.000 2.858 2.862) 4.044 2.681 ( 0.000 1.611 -3.608) 3.951 2.681 ( 0.000 1.611 3.608) 3.951 2.960 ( 0.000 7.072 -1.671) 7.267 2.960 ( 0.000 7.072 1.671) 7.267 3.307 ( 0.000 0.296 -10.850) 10.854 3.307 ( 0.000 0.296 10.850) 10.854 3.429 ( 0.000 6.673 -6.107) 9.046 3.429 ( 0.000 6.673 6.107) 9.046 3.586 ( 0.000 10.003 -4.769) 11.082 3.586 ( 0.000 10.003 4.769) 11.082 3.797 ( 0.000 8.185 -7.827) 11.325 3.797 ( 0.000 8.185 7.827) 11.325 3.894 ( 0.000 19.881 -5.249) 20.562 3.894 ( 0.000 19.881 5.249) 20.562 4.010 ( 0.000 -1.911 -12.982) 13.122 4.010 ( 0.000 -1.911 12.982) 13.122 4.343 ( 0.000 29.334 -10.637) 31.203 4.343 ( 0.000 29.334 10.637) 31.203 4.513 ( 0.000 7.139 -3.349) 7.885 4.513 ( 0.000 7.139 3.349) 7.885 4.661 ( 0.000 6.333 -6.580) 9.133 4.661 ( 0.000 6.333 6.580) 9.133 4.846 ( 0.000 13.855 -1.290) 13.915 4.846 ( 0.000 13.855 1.290) 13.915 5.010 ( 0.000 1.729 -3.107) 3.555 5.010 ( 0.000 1.729 3.107) 3.555 5.250 ( 0.000 13.676 -2.094) 13.835 5.250 ( 0.000 13.676 2.094) 13.835 5.414 ( 0.000 2.573 -5.192) 5.794 5.414 ( 0.000 2.573 5.192) 5.794 6.815 ( 0.000 5.919 -0.387) 5.932 6.815 ( 0.000 5.919 0.387) 5.932 7.259 ( 0.000 0.472 -1.175) 1.267 7.259 ( 0.000 0.472 1.175) 1.267 7.669 ( 0.000 -3.768 -2.978) 4.803 7.669 ( 0.000 -3.768 2.978) 4.803 8.012 ( 0.000 -11.818 -7.174) 13.825 8.012 ( 0.000 -11.818 7.174) 13.825 8.842 ( 0.000 7.036 -0.544) 7.057 8.842 ( 0.000 7.036 0.544) 7.057 9.313 ( 0.000 -1.922 -0.811) 2.087 9.313 ( 0.000 -1.922 0.811) 2.087 9.666 ( 0.000 -1.304 -3.298) 3.547 9.666 ( 0.000 -1.304 3.298) 3.547 9.899 ( 0.000 -4.158 -2.147) 4.680 9.899 ( 0.000 -4.158 2.147) 4.680 9.933 ( 0.000 -3.968 -8.013) 8.941 9.933 ( 0.000 -3.968 8.013) 8.941 10.258 ( 0.000 4.153 -0.336) 4.167 10.258 ( 0.000 4.153 0.336) 4.167 10.610 ( 0.000 14.075 -0.785) 14.097 10.610 ( 0.000 14.075 0.785) 14.097 11.401 ( 0.000 11.547 -5.061) 12.607 11.401 ( 0.000 11.547 5.061) 12.607 11.607 ( 0.000 9.349 -4.075) 10.198 11.607 ( 0.000 9.349 4.075) 10.198 11.854 ( 0.000 0.130 -3.611) 3.613 11.854 ( 0.000 0.130 3.611) 3.613 11.986 ( 0.000 3.776 -10.315) 10.984 11.986 ( 0.000 3.776 10.315) 10.984 12.182 ( 0.000 12.610 -0.690) 12.629 12.182 ( 0.000 12.610 0.690) 12.629 12.331 ( 0.000 -7.715 -0.928) 7.770 12.331 ( 0.000 -7.715 0.928) 7.770 12.774 ( 0.000 -8.099 -3.615) 8.869 12.774 ( 0.000 -8.099 3.615) 8.869 13.398 ( 0.000 -10.512 -6.327) 12.269 13.398 ( 0.000 -10.512 6.327) 12.269 13.548 ( 0.000 -14.568 -0.174) 14.569 13.548 ( 0.000 -14.568 0.174) 14.569 15.573 ( 0.000 -8.312 -4.972) 9.686 15.573 ( 0.000 -8.312 4.972) 9.686 15.914 ( 0.000 -4.590 -5.036) 6.814 15.914 ( 0.000 -4.590 5.036) 6.814 16.286 ( 0.000 -13.106 -2.344) 13.314 16.286 ( 0.000 -13.106 2.344) 13.314 16.396 ( 0.000 -12.308 -1.603) 12.412 16.396 ( 0.000 -12.308 1.603) 12.412 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 3.696 10.661 -2.094) 11.476 2.030 ( 3.696 10.661 2.094) 11.476 2.261 ( -1.274 9.415 -6.882) 11.732 2.261 ( -1.274 9.415 6.882) 11.732 2.390 ( 0.567 7.281 -2.164) 7.617 2.390 ( 0.567 7.281 2.164) 7.617 2.747 ( 3.550 0.799 -6.921) 7.819 2.747 ( 3.550 0.799 6.921) 7.819 2.967 ( 0.479 5.367 -3.698) 6.536 2.967 ( 0.479 5.367 3.698) 6.536 3.233 ( -3.098 4.302 -8.445) 9.972 3.233 ( -3.098 4.302 8.445) 9.972 3.373 ( -5.563 2.467 -10.623) 12.243 3.373 ( -5.563 2.467 10.623) 12.243 3.607 ( 0.965 9.641 -4.433) 10.655 3.607 ( 0.965 9.641 4.433) 10.655 3.793 ( -1.334 8.466 -4.747) 9.798 3.793 ( -1.334 8.466 4.747) 9.798 3.874 ( -2.960 17.404 -5.036) 18.358 3.874 ( -2.960 17.404 5.036) 18.358 4.031 ( 3.482 4.767 -2.364) 6.359 4.031 ( 3.482 4.767 2.364) 6.359 4.370 ( 1.215 24.614 -8.719) 26.141 4.370 ( 1.215 24.614 8.719) 26.141 4.448 ( -3.624 10.509 -3.440) 11.636 4.448 ( -3.624 10.509 3.440) 11.636 4.665 ( -0.230 8.035 -2.720) 8.486 4.665 ( -0.230 8.035 2.720) 8.486 4.884 ( 2.775 14.439 -1.838) 14.818 4.884 ( 2.775 14.439 1.838) 14.818 5.034 ( 1.988 2.062 -4.496) 5.331 5.034 ( 1.988 2.062 4.496) 5.331 5.248 ( -0.061 12.047 -1.018) 12.091 5.248 ( -0.061 12.047 1.018) 12.091 5.406 ( -0.712 1.454 -4.648) 4.922 5.406 ( -0.712 1.454 4.648) 4.922 6.842 ( 2.740 5.731 -1.488) 6.524 6.842 ( 2.740 5.731 1.488) 6.524 7.189 ( -6.300 1.189 -4.098) 7.609 7.189 ( -6.300 1.189 4.098) 7.609 7.692 ( 1.781 -5.143 -2.828) 6.133 7.692 ( 1.781 -5.143 2.828) 6.133 8.024 ( 1.086 -10.433 -5.574) 11.878 8.024 ( 1.086 -10.433 5.574) 11.878 8.886 ( 3.659 5.601 -1.606) 6.880 8.886 ( 3.659 5.601 1.606) 6.880 9.254 ( -4.269 -0.362 -1.863) 4.672 9.254 ( -4.269 -0.362 1.863) 4.672 9.758 ( 7.751 -2.224 -5.788) 9.925 9.758 ( 7.751 -2.224 5.788) 9.925 9.951 ( 2.270 -4.717 -2.305) 5.720 9.951 ( 2.270 -4.717 2.305) 5.720 10.033 ( 11.628 -3.167 -0.347) 12.057 10.033 ( 11.628 -3.167 0.347) 12.057 10.264 ( 1.308 5.433 -1.832) 5.881 10.264 ( 1.308 5.433 1.832) 5.881 10.600 ( -1.025 14.059 -1.050) 14.135 10.600 ( -1.025 14.059 1.050) 14.135 11.310 ( -12.523 1.657 -9.388) 15.739 11.310 ( -12.523 1.657 9.388) 15.739 11.537 ( -4.982 8.580 -3.507) 10.523 11.537 ( -4.982 8.580 3.507) 10.523 11.704 ( -8.080 6.716 -5.147) 11.700 11.704 ( -8.080 6.716 5.147) 11.700 11.941 ( -1.188 4.448 -6.430) 7.908 11.941 ( -1.188 4.448 6.430) 7.908 12.287 ( 3.161 8.794 -1.343) 9.441 12.287 ( 3.161 8.794 1.343) 9.441 12.397 ( 3.450 0.494 -5.409) 6.434 12.397 ( 3.450 0.494 5.409) 6.434 12.777 ( 3.430 -9.693 -1.374) 10.373 12.777 ( 3.430 -9.693 1.374) 10.373 13.331 ( -6.189 -9.900 -3.985) 12.337 13.331 ( -6.189 -9.900 3.985) 12.337 13.572 ( 1.694 -15.661 -1.066) 15.789 13.572 ( 1.694 -15.661 1.066) 15.789 15.594 ( 1.907 -8.336 -4.280) 9.562 15.594 ( 1.907 -8.336 4.280) 9.562 15.890 ( -1.988 -6.055 -4.152) 7.606 15.890 ( -1.988 -6.055 4.152) 7.606 16.283 ( -0.587 -11.102 -2.307) 11.355 16.283 ( -0.587 -11.102 2.307) 11.355 16.425 ( 2.588 -12.859 -2.251) 13.308 16.425 ( 2.588 -12.859 2.251) 13.308 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 2.198 8.929 -3.312) 9.774 2.097 ( 2.198 8.929 3.312) 9.774 2.241 ( -0.806 6.841 -5.599) 8.877 2.241 ( -0.806 6.841 5.599) 8.877 2.465 ( 7.691 9.223 -5.142) 13.064 2.465 ( 7.691 9.223 5.142) 13.064 2.670 ( -10.129 3.471 -9.891) 14.577 2.670 ( -10.129 3.471 9.891) 14.577 3.026 ( 4.846 1.159 -0.913) 5.066 3.026 ( 4.846 1.159 0.913) 5.066 3.231 ( -3.989 3.939 -3.486) 6.602 3.231 ( -3.989 3.939 3.486) 6.602 3.307 ( 4.905 2.108 -3.229) 6.240 3.307 ( 4.905 2.108 3.229) 6.240 3.562 ( -5.704 4.129 -2.522) 7.480 3.562 ( -5.704 4.129 2.522) 7.480 3.756 ( -1.022 12.626 -4.112) 13.318 3.756 ( -1.022 12.626 4.112) 13.318 3.817 ( -1.685 19.109 -3.290) 19.464 3.817 ( -1.685 19.109 3.290) 19.464 4.139 ( 6.542 8.963 -5.850) 12.544 4.139 ( 6.542 8.963 5.850) 12.544 4.286 ( -6.708 12.760 -5.856) 15.559 4.286 ( -6.708 12.760 5.856) 15.559 4.488 ( 3.733 15.375 -3.223) 16.146 4.488 ( 3.733 15.375 3.223) 16.146 4.645 ( -1.642 19.955 -0.932) 20.044 4.645 ( -1.642 19.955 0.932) 20.044 4.920 ( 0.834 10.425 -1.414) 10.554 4.920 ( 0.834 10.425 1.414) 10.554 5.066 ( 0.970 4.936 -3.006) 5.860 5.066 ( 0.970 4.936 3.006) 5.860 5.253 ( 0.408 9.612 -0.686) 9.645 5.253 ( 0.408 9.612 0.686) 9.645 5.393 ( -0.511 -0.972 -2.154) 2.418 5.393 ( -0.511 -0.972 2.154) 2.418 6.922 ( 5.373 5.118 -2.891) 7.964 6.922 ( 5.373 5.118 2.891) 7.964 7.050 ( -7.152 2.419 -4.176) 8.629 7.050 ( -7.152 2.419 4.176) 8.629 7.720 ( 0.866 -6.913 -1.131) 7.059 7.720 ( 0.866 -6.913 1.131) 7.059 8.043 ( 0.618 -8.725 -2.032) 8.980 8.043 ( 0.618 -8.725 2.032) 8.980 8.943 ( 1.544 3.886 -1.605) 4.479 8.943 ( 1.544 3.886 1.605) 4.479 9.196 ( -1.326 1.151 -1.658) 2.415 9.196 ( -1.326 1.151 1.658) 2.415 9.890 ( 4.272 -4.894 -8.347) 10.577 9.890 ( 4.272 -4.894 8.347) 10.577 9.990 ( 0.800 -1.524 -7.535) 7.729 9.990 ( 0.800 -1.524 7.535) 7.729 10.254 ( 7.453 0.218 -3.022) 8.045 10.254 ( 7.453 0.218 3.022) 8.045 10.373 ( 10.210 4.761 -4.194) 12.020 10.373 ( 10.210 4.761 4.194) 12.020 10.565 ( -2.724 13.358 -2.489) 13.859 10.565 ( -2.724 13.358 2.489) 13.859 10.980 ( -15.289 -5.424 -6.642) 17.530 10.980 ( -15.289 -5.424 6.642) 17.530 11.460 ( -3.909 1.663 -1.630) 4.550 11.460 ( -3.909 1.663 1.630) 4.550 11.578 ( -3.054 10.286 -2.569) 11.033 11.578 ( -3.054 10.286 2.569) 11.033 12.019 ( 8.312 6.202 -3.048) 10.809 12.019 ( 8.312 6.202 3.048) 10.809 12.211 ( -9.453 5.551 -2.084) 11.158 12.211 ( -9.453 5.551 2.084) 11.158 12.428 ( 0.914 10.169 -2.587) 10.532 12.428 ( 0.914 10.169 2.587) 10.532 12.943 ( 10.809 -8.296 -0.805) 13.650 12.943 ( 10.809 -8.296 0.805) 13.650 13.175 ( -9.262 -10.583 -1.513) 14.145 13.175 ( -9.262 -10.583 1.513) 14.145 13.596 ( 0.646 -16.763 -0.583) 16.786 13.596 ( 0.646 -16.763 0.583) 16.786 15.631 ( 1.325 -8.688 -1.889) 8.989 15.631 ( 1.325 -8.688 1.889) 8.989 15.857 ( -1.079 -7.272 -1.754) 7.558 15.857 ( -1.079 -7.272 1.754) 7.558 16.268 ( -0.555 -9.956 -0.902) 10.012 16.268 ( -0.555 -9.956 0.902) 10.012 16.470 ( 1.487 -12.498 -1.011) 12.626 16.470 ( 1.487 -12.498 1.011) 12.626 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.000 8.293 -1.218) 8.382 2.186 ( 0.000 8.293 1.218) 8.382 2.412 ( 0.000 2.316 -2.733) 3.582 2.412 ( 0.000 2.316 2.733) 3.582 2.532 ( 0.000 8.041 -2.920) 8.555 2.532 ( 0.000 8.041 2.920) 8.555 2.707 ( 0.000 1.307 -1.250) 1.808 2.707 ( 0.000 1.307 1.250) 1.808 3.116 ( 0.000 8.642 -1.905) 8.850 3.116 ( 0.000 8.642 1.905) 8.850 3.326 ( 0.000 2.268 -8.008) 8.323 3.326 ( 0.000 2.268 8.008) 8.323 3.484 ( 0.000 0.218 -8.747) 8.750 3.484 ( 0.000 0.218 8.747) 8.750 3.693 ( 0.000 1.681 -6.245) 6.468 3.693 ( 0.000 1.681 6.245) 6.468 3.873 ( 0.000 -1.379 -10.053) 10.147 3.873 ( 0.000 -1.379 10.053) 10.147 3.960 ( 0.000 -0.423 -11.111) 11.119 3.960 ( 0.000 -0.423 11.111) 11.119 4.216 ( 0.000 10.164 -4.628) 11.168 4.216 ( 0.000 10.164 4.628) 11.168 4.552 ( 0.000 -1.256 -3.238) 3.473 4.552 ( 0.000 -1.256 3.238) 3.473 4.629 ( 0.000 -3.473 -4.354) 5.569 4.629 ( 0.000 -3.473 4.354) 5.569 4.822 ( 0.000 13.326 -2.136) 13.496 4.822 ( 0.000 13.326 2.136) 13.496 5.061 ( 0.000 14.013 -1.309) 14.074 5.061 ( 0.000 14.013 1.309) 14.074 5.284 ( 0.000 18.859 -2.887) 19.078 5.284 ( 0.000 18.859 2.887) 19.078 5.551 ( 0.000 15.124 -2.477) 15.326 5.551 ( 0.000 15.124 2.477) 15.326 5.610 ( 0.000 15.635 -1.649) 15.721 5.610 ( 0.000 15.635 1.649) 15.721 6.942 ( 0.000 6.175 -0.585) 6.203 6.942 ( 0.000 6.175 0.585) 6.203 7.280 ( 0.000 1.514 -1.572) 2.183 7.280 ( 0.000 1.514 1.572) 2.183 7.508 ( 0.000 -12.889 -3.554) 13.370 7.508 ( 0.000 -12.889 3.554) 13.370 7.791 ( 0.000 -8.567 -6.107) 10.521 7.791 ( 0.000 -8.567 6.107) 10.521 8.997 ( 0.000 8.228 -2.268) 8.535 8.997 ( 0.000 8.228 2.268) 8.535 9.314 ( 0.000 1.997 -1.148) 2.304 9.314 ( 0.000 1.997 1.148) 2.304 9.610 ( 0.000 -3.311 -1.851) 3.793 9.610 ( 0.000 -3.311 1.851) 3.793 9.849 ( 0.000 -0.508 -2.280) 2.336 9.849 ( 0.000 -0.508 2.280) 2.336 9.949 ( 0.000 5.005 -4.288) 6.591 9.949 ( 0.000 5.005 4.288) 6.591 10.385 ( 0.000 7.829 -3.201) 8.458 10.385 ( 0.000 7.829 3.201) 8.458 10.895 ( 0.000 14.066 -1.479) 14.144 10.895 ( 0.000 14.066 1.479) 14.144 11.409 ( 0.000 -11.203 -10.967) 15.678 11.409 ( 0.000 -11.203 10.967) 15.678 11.715 ( 0.000 2.873 -2.615) 3.885 11.715 ( 0.000 2.873 2.615) 3.885 11.859 ( 0.000 2.355 -2.516) 3.446 11.859 ( 0.000 2.355 2.516) 3.446 12.078 ( 0.000 4.685 -8.636) 9.825 12.078 ( 0.000 4.685 8.636) 9.825 12.184 ( 0.000 -6.500 -4.394) 7.845 12.184 ( 0.000 -6.500 4.394) 7.845 12.371 ( 0.000 4.763 -0.543) 4.794 12.371 ( 0.000 4.763 0.543) 4.794 12.695 ( 0.000 0.236 -2.534) 2.545 12.695 ( 0.000 0.236 2.534) 2.545 13.206 ( 0.000 -7.924 -3.093) 8.507 13.206 ( 0.000 -7.924 3.093) 8.507 13.298 ( 0.000 -11.079 -0.453) 11.089 13.298 ( 0.000 -11.079 0.453) 11.089 15.430 ( 0.000 -5.999 -6.359) 8.742 15.430 ( 0.000 -5.999 6.359) 8.742 15.815 ( 0.000 -5.777 -5.776) 8.169 15.815 ( 0.000 -5.777 5.776) 8.169 16.004 ( 0.000 -14.124 -3.324) 14.510 16.004 ( 0.000 -14.124 3.324) 14.510 16.222 ( 0.000 -6.376 -0.241) 6.381 16.222 ( 0.000 -6.376 0.241) 6.381 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 2.238 7.627 -1.188) 8.037 2.212 ( 2.238 7.627 1.188) 8.037 2.381 ( -2.151 3.894 -3.829) 5.869 2.381 ( -2.151 3.894 3.829) 5.869 2.536 ( 0.937 6.169 -1.225) 6.359 2.536 ( 0.937 6.169 1.225) 6.359 2.744 ( 1.535 -0.857 -4.831) 5.141 2.744 ( 1.535 -0.857 4.831) 5.141 3.104 ( -1.464 8.291 -1.967) 8.646 3.104 ( -1.464 8.291 1.967) 8.646 3.295 ( 0.094 3.088 -6.777) 7.449 3.295 ( 0.094 3.088 6.777) 7.449 3.425 ( -5.915 2.855 -9.012) 11.151 3.425 ( -5.915 2.855 9.012) 11.151 3.694 ( -0.379 1.640 -4.633) 4.929 3.694 ( -0.379 1.640 4.633) 4.929 3.880 ( 1.033 -0.370 -12.520) 12.568 3.880 ( 1.033 -0.370 12.520) 12.568 4.045 ( 6.559 0.687 -6.381) 9.177 4.045 ( 6.559 0.687 6.381) 9.177 4.169 ( -4.047 6.150 -6.508) 9.827 4.169 ( -4.047 6.150 6.508) 9.827 4.498 ( -2.724 3.234 -0.605) 4.271 4.498 ( -2.724 3.234 0.605) 4.271 4.652 ( -0.528 0.342 -2.948) 3.015 4.652 ( -0.528 0.342 2.948) 3.015 4.870 ( 4.512 6.156 -1.274) 7.738 4.870 ( 4.512 6.156 1.274) 7.738 5.065 ( 0.964 14.468 -2.501) 14.714 5.065 ( 0.964 14.468 2.501) 14.714 5.280 ( -1.082 17.325 -3.581) 17.724 5.280 ( -1.082 17.325 3.581) 17.724 5.553 ( 0.327 16.561 -1.880) 16.670 5.553 ( 0.327 16.561 1.880) 16.670 5.602 ( -0.669 15.988 -1.369) 16.061 5.602 ( -0.669 15.988 1.369) 16.061 6.956 ( 1.469 5.341 -0.710) 5.585 6.956 ( 1.469 5.341 0.710) 5.585 7.215 ( -5.304 0.967 -1.841) 5.697 7.215 ( -5.304 0.967 1.841) 5.697 7.539 ( 2.274 -9.855 -2.251) 10.361 7.539 ( 2.274 -9.855 2.251) 10.361 7.818 ( 2.209 -9.270 -4.366) 10.482 7.818 ( 2.209 -9.270 4.366) 10.482 9.019 ( 1.827 7.706 -3.448) 8.638 9.019 ( 1.827 7.706 3.448) 8.638 9.284 ( -2.130 3.458 -4.360) 5.959 9.284 ( -2.130 3.458 4.360) 5.959 9.690 ( 7.414 -3.903 -4.507) 9.514 9.690 ( 7.414 -3.903 4.507) 9.514 9.876 ( 2.246 -2.210 -0.359) 3.171 9.876 ( 2.246 -2.210 0.359) 3.171 10.056 ( 9.494 4.794 -3.819) 11.300 10.056 ( 9.494 4.794 3.819) 11.300 10.402 ( 2.565 7.338 -3.864) 8.681 10.402 ( 2.565 7.338 3.864) 8.681 10.874 ( -2.604 12.389 -3.421) 13.113 10.874 ( -2.604 12.389 3.421) 13.113 11.210 ( -16.542 -8.541 -8.882) 20.627 11.210 ( -16.542 -8.541 8.882) 20.627 11.671 ( -5.479 4.263 -5.942) 9.138 11.671 ( -5.479 4.263 5.942) 9.138 11.784 ( -7.525 1.421 -5.478) 9.415 11.784 ( -7.525 1.421 5.478) 9.415 12.025 ( 0.563 4.181 -8.133) 9.162 12.025 ( 0.563 4.181 8.133) 9.162 12.284 ( 5.970 -6.181 -2.113) 8.849 12.284 ( 5.970 -6.181 2.113) 8.849 12.488 ( 6.772 4.204 -6.843) 10.505 12.488 ( 6.772 4.204 6.843) 10.505 12.687 ( 1.479 1.097 -0.705) 1.972 12.687 ( 1.479 1.097 0.705) 1.972 13.163 ( -4.657 -6.497 -2.173) 8.284 13.163 ( -4.657 -6.497 2.173) 8.284 13.292 ( -0.301 -12.700 -0.614) 12.719 13.292 ( -0.301 -12.700 0.614) 12.719 15.444 ( 1.237 -6.652 -5.060) 8.449 15.444 ( 1.237 -6.652 5.060) 8.449 15.753 ( -4.205 -8.014 -3.953) 9.876 15.753 ( -4.205 -8.014 3.953) 9.876 16.062 ( 3.570 -10.721 -4.451) 12.145 16.062 ( 3.570 -10.721 4.451) 12.145 16.230 ( 1.049 -7.125 -2.238) 7.542 16.230 ( 1.049 -7.125 2.238) 7.542 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 1.029 6.468 -1.163) 6.651 2.249 ( 1.029 6.468 1.163) 6.651 2.357 ( -0.300 4.843 -3.346) 5.895 2.357 ( -0.300 4.843 3.346) 5.895 2.583 ( 3.884 2.846 -1.387) 5.011 2.583 ( 3.884 2.846 1.387) 5.011 2.705 ( -4.887 0.042 -5.602) 7.434 2.705 ( -4.887 0.042 5.602) 7.434 3.090 ( 0.486 5.347 -0.474) 5.390 3.090 ( 0.486 5.347 0.474) 5.390 3.303 ( -3.878 3.895 -4.703) 7.234 3.303 ( -3.878 3.895 4.703) 7.234 3.376 ( 5.077 5.499 -3.807) 8.396 3.376 ( 5.077 5.499 3.807) 8.396 3.634 ( -4.737 3.804 -1.149) 6.183 3.634 ( -4.737 3.804 1.149) 6.183 3.919 ( 2.166 2.299 -8.467) 9.037 3.919 ( 2.166 2.299 8.467) 9.037 4.063 ( -3.031 2.195 -6.010) 7.080 4.063 ( -3.031 2.195 6.010) 7.080 4.195 ( 4.940 1.409 -1.536) 5.362 4.195 ( 4.940 1.409 1.536) 5.362 4.443 ( -3.025 6.183 -1.488) 7.043 4.443 ( -3.025 6.183 1.488) 7.043 4.632 ( -0.502 3.083 -1.390) 3.419 4.632 ( -0.502 3.083 1.390) 3.419 4.949 ( 2.399 -1.254 -0.259) 2.719 4.949 ( 2.399 -1.254 0.259) 2.719 5.113 ( 3.773 15.219 -3.618) 16.091 5.113 ( 3.773 15.219 3.618) 16.091 5.227 ( -3.960 16.045 -3.990) 17.002 5.227 ( -3.960 16.045 3.990) 17.002 5.563 ( 0.427 18.532 -0.675) 18.549 5.563 ( 0.427 18.532 0.675) 18.549 5.591 ( -0.321 16.623 -0.537) 16.635 5.591 ( -0.321 16.623 0.537) 16.635 6.996 ( 2.280 2.584 -0.702) 3.516 6.996 ( 2.280 2.584 0.702) 3.516 7.116 ( -4.032 3.411 -1.114) 5.398 7.116 ( -4.032 3.411 1.114) 5.398 7.574 ( 1.021 -7.415 -0.769) 7.524 7.574 ( 1.021 -7.415 0.769) 7.524 7.853 ( 1.073 -9.987 -1.440) 10.148 7.853 ( 1.073 -9.987 1.440) 10.148 9.049 ( 0.946 7.080 -2.604) 7.603 9.049 ( 0.946 7.080 2.604) 7.603 9.253 ( -0.835 4.658 -3.343) 5.793 9.253 ( -0.835 4.658 3.343) 5.793 9.827 ( 3.643 -0.514 -5.818) 6.884 9.827 ( 3.643 -0.514 5.818) 6.884 9.960 ( 6.601 -3.160 -3.738) 8.218 9.960 ( 6.601 -3.160 3.738) 8.218 10.184 ( 1.584 -3.098 -2.462) 4.262 10.184 ( 1.584 -3.098 2.462) 4.262 10.541 ( 10.850 4.733 -4.131) 12.538 10.541 ( 10.850 4.733 4.131) 12.538 10.754 ( -9.345 6.231 -2.842) 11.586 10.754 ( -9.345 6.231 2.842) 11.586 10.934 ( -8.580 3.315 -2.860) 9.633 10.934 ( -8.580 3.315 2.860) 9.633 11.481 ( -8.724 3.022 -0.714) 9.260 11.481 ( -8.724 3.022 0.714) 9.260 11.709 ( -1.122 2.061 -1.020) 2.559 11.709 ( -1.122 2.061 1.020) 2.559 12.096 ( 4.554 2.323 -4.078) 6.539 12.096 ( 4.554 2.323 4.078) 6.539 12.304 ( -2.912 1.829 -1.259) 3.663 12.304 ( -2.912 1.829 1.259) 3.663 12.552 ( 1.283 0.985 -1.962) 2.543 12.552 ( 1.283 0.985 1.962) 2.543 12.827 ( 10.630 -1.164 -1.623) 10.816 12.827 ( 10.630 -1.164 1.623) 10.816 13.027 ( -9.036 -4.267 -0.955) 10.038 13.027 ( -9.036 -4.267 0.955) 10.038 13.289 ( -0.042 -14.239 -0.250) 14.241 13.289 ( -0.042 -14.239 0.250) 14.241 15.467 ( 0.754 -7.672 -1.884) 7.936 15.467 ( 0.754 -7.672 1.884) 7.936 15.693 ( -1.641 -9.276 -1.380) 9.520 15.693 ( -1.641 -9.276 1.380) 9.520 16.102 ( 0.702 -6.995 -2.075) 7.330 16.102 ( 0.702 -6.995 2.075) 7.330 16.258 ( 1.203 -8.936 -1.298) 9.110 16.258 ( 1.203 -8.936 1.298) 9.110 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 0.000 4.102 -1.415) 4.339 2.309 ( 0.000 4.102 1.415) 4.339 2.453 ( 0.000 1.984 -3.081) 3.664 2.453 ( 0.000 1.984 3.081) 3.664 2.632 ( 0.000 2.627 -4.235) 4.984 2.632 ( 0.000 2.627 4.235) 4.984 2.734 ( 0.000 1.218 -4.473) 4.636 2.734 ( 0.000 1.218 4.473) 4.636 3.283 ( 0.000 7.098 -2.432) 7.503 3.283 ( 0.000 7.098 2.432) 7.503 3.404 ( 0.000 5.639 -5.495) 7.873 3.404 ( 0.000 5.639 5.495) 7.873 3.474 ( 0.000 -0.456 -6.761) 6.776 3.474 ( 0.000 -0.456 6.761) 6.776 3.695 ( 0.000 -0.787 -3.434) 3.523 3.695 ( 0.000 -0.787 3.434) 3.523 3.796 ( 0.000 -4.238 -3.939) 5.786 3.796 ( 0.000 -4.238 3.939) 5.786 3.991 ( 0.000 2.901 -4.465) 5.325 3.991 ( 0.000 2.901 4.465) 5.325 4.214 ( 0.000 -8.026 -2.959) 8.554 4.214 ( 0.000 -8.026 2.959) 8.554 4.480 ( 0.000 -6.862 -1.338) 6.991 4.480 ( 0.000 -6.862 1.338) 6.991 4.636 ( 0.000 4.777 -3.120) 5.705 4.636 ( 0.000 4.777 3.120) 5.705 4.982 ( 0.000 5.988 -0.042) 5.988 4.982 ( 0.000 5.988 0.042) 5.988 5.391 ( 0.000 15.305 -1.774) 15.408 5.391 ( 0.000 15.305 1.774) 15.408 5.603 ( 0.000 12.493 -2.557) 12.752 5.603 ( 0.000 12.493 2.557) 12.752 5.827 ( 0.000 12.162 -1.200) 12.221 5.827 ( 0.000 12.162 1.200) 12.221 5.907 ( 0.000 12.837 -0.398) 12.843 5.907 ( 0.000 12.837 0.398) 12.843 6.985 ( 0.000 -4.617 -0.749) 4.677 6.985 ( 0.000 -4.617 0.749) 4.677 7.284 ( 0.000 -2.681 -2.207) 3.472 7.284 ( 0.000 -2.681 2.207) 3.472 7.328 ( 0.000 1.138 -1.679) 2.028 7.328 ( 0.000 1.138 1.679) 2.028 7.656 ( 0.000 -6.137 -5.052) 7.949 7.656 ( 0.000 -6.137 5.052) 7.949 9.141 ( 0.000 5.601 -2.592) 6.171 9.141 ( 0.000 5.601 2.592) 6.171 9.365 ( 0.000 2.713 -1.085) 2.922 9.365 ( 0.000 2.713 1.085) 2.922 9.562 ( 0.000 -1.072 -2.629) 2.839 9.562 ( 0.000 -1.072 2.629) 2.839 9.913 ( 0.000 6.424 -3.743) 7.435 9.913 ( 0.000 6.424 3.743) 7.435 10.075 ( 0.000 6.836 -1.945) 7.108 10.075 ( 0.000 6.836 1.945) 7.108 10.524 ( 0.000 4.535 -0.476) 4.560 10.524 ( 0.000 4.535 0.476) 4.560 11.065 ( 0.000 -4.736 -4.959) 6.857 11.065 ( 0.000 -4.736 4.959) 6.857 11.216 ( 0.000 3.650 -0.629) 3.704 11.216 ( 0.000 3.650 0.629) 3.704 11.683 ( 0.000 -5.006 -6.653) 8.326 11.683 ( 0.000 -5.006 6.653) 8.326 11.943 ( 0.000 3.948 -3.028) 4.976 11.943 ( 0.000 3.948 3.028) 4.976 12.062 ( 0.000 -5.470 -4.624) 7.162 12.062 ( 0.000 -5.470 4.624) 7.162 12.170 ( 0.000 4.556 -8.833) 9.939 12.170 ( 0.000 4.556 8.833) 9.939 12.357 ( 0.000 -4.184 -3.770) 5.632 12.357 ( 0.000 -4.184 3.770) 5.632 12.751 ( 0.000 3.792 -0.427) 3.816 12.751 ( 0.000 3.792 0.427) 3.816 13.070 ( 0.000 -8.041 -2.441) 8.403 13.070 ( 0.000 -8.041 2.441) 8.403 13.145 ( 0.000 -2.535 -1.539) 2.966 13.145 ( 0.000 -2.535 1.539) 2.966 15.345 ( 0.000 -2.392 -6.225) 6.668 15.345 ( 0.000 -2.392 6.225) 6.668 15.660 ( 0.000 -10.251 -2.665) 10.592 15.660 ( 0.000 -10.251 2.665) 10.592 15.791 ( 0.000 -6.454 -1.996) 6.756 15.791 ( 0.000 -6.454 1.996) 6.756 16.123 ( 0.000 -3.840 -0.191) 3.844 16.123 ( 0.000 -3.840 0.191) 3.844 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 1.483 3.927 -1.035) 4.324 2.326 ( 1.483 3.927 1.035) 4.324 2.442 ( -0.857 2.504 -2.693) 3.775 2.442 ( -0.857 2.504 2.693) 3.775 2.615 ( -1.126 2.082 -3.354) 4.105 2.615 ( -1.126 2.082 3.354) 4.105 2.723 ( -1.560 -1.030 -5.310) 5.629 2.723 ( -1.560 -1.030 5.310) 5.629 3.261 ( -2.748 6.494 -2.651) 7.534 3.261 ( -2.748 6.494 2.651) 7.534 3.387 ( 2.203 6.666 -2.132) 7.338 3.387 ( 2.203 6.666 2.132) 7.338 3.486 ( -1.632 3.268 -6.087) 7.099 3.486 ( -1.632 3.268 6.087) 7.099 3.717 ( 1.534 0.787 -3.312) 3.734 3.717 ( 1.534 0.787 3.312) 3.734 3.807 ( 2.017 -5.235 -10.070) 11.527 3.807 ( 2.017 -5.235 10.070) 11.527 4.043 ( 2.915 -1.268 -7.221) 7.889 4.043 ( 2.915 -1.268 7.221) 7.889 4.143 ( -3.799 -4.742 -7.203) 9.424 4.143 ( -3.799 -4.742 7.203) 9.424 4.538 ( 1.983 -8.776 -1.024) 9.055 4.538 ( 1.983 -8.776 1.024) 9.055 4.626 ( 0.990 6.635 -1.302) 6.833 4.626 ( 0.990 6.635 1.302) 6.833 4.954 ( -2.673 4.662 -0.333) 5.384 4.954 ( -2.673 4.662 0.333) 5.384 5.395 ( 0.785 14.737 -1.902) 14.880 5.395 ( 0.785 14.737 1.902) 14.880 5.578 ( -2.471 11.949 -2.491) 12.453 5.578 ( -2.471 11.949 2.491) 12.453 5.850 ( 1.999 12.769 -1.834) 13.054 5.850 ( 1.999 12.769 1.834) 13.054 5.908 ( 0.117 13.280 -0.407) 13.287 5.908 ( 0.117 13.280 0.407) 13.287 7.000 ( 1.402 -2.975 -0.957) 3.425 7.000 ( 1.402 -2.975 0.957) 3.425 7.214 ( -3.791 0.667 -0.961) 3.967 7.214 ( -3.791 0.667 0.961) 3.967 7.404 ( 4.167 -2.002 -3.172) 5.606 7.404 ( 4.167 -2.002 3.172) 5.606 7.660 ( 0.339 -7.292 -4.624) 8.641 7.660 ( 0.339 -7.292 4.624) 8.641 9.173 ( 2.585 7.348 -3.854) 8.691 9.173 ( 2.585 7.348 3.854) 8.691 9.370 ( 0.540 4.695 -3.616) 5.951 9.370 ( 0.540 4.695 3.616) 5.951 9.605 ( 5.188 -4.234 -0.616) 6.725 9.605 ( 5.188 -4.234 0.616) 6.725 9.917 ( 0.527 6.113 -2.064) 6.474 9.917 ( 0.527 6.113 2.064) 6.474 10.162 ( 6.626 4.622 -4.262) 9.134 10.162 ( 6.626 4.622 4.262) 9.134 10.487 ( -3.618 -0.725 -0.853) 3.787 10.487 ( -3.618 -0.725 0.853) 3.787 10.967 ( -7.328 -1.522 -5.870) 9.512 10.967 ( -7.328 -1.522 5.870) 9.512 11.194 ( -2.693 8.668 -0.956) 9.127 11.194 ( -2.693 8.668 0.956) 9.127 11.664 ( -1.702 -5.200 -7.651) 9.406 11.664 ( -1.702 -5.200 7.651) 9.406 11.812 ( -10.918 1.634 -4.529) 11.933 11.812 ( -10.918 1.634 4.529) 11.933 12.096 ( -0.337 2.257 -9.313) 9.589 12.096 ( -0.337 2.257 9.313) 9.589 12.173 ( 5.988 -2.879 -0.796) 6.692 12.173 ( 5.988 -2.879 0.796) 6.692 12.474 ( 6.123 -4.154 -11.802) 13.930 12.474 ( 6.123 -4.154 11.802) 13.930 12.764 ( 1.978 4.761 -1.019) 5.255 12.764 ( 1.978 4.761 1.019) 5.255 13.052 ( -1.798 -8.819 -2.739) 9.408 13.052 ( -1.798 -8.819 2.739) 9.408 13.113 ( -2.943 -1.819 -2.421) 4.223 13.113 ( -2.943 -1.819 2.421) 4.223 15.342 ( -0.205 -3.470 -4.599) 5.765 15.342 ( -0.205 -3.470 4.599) 5.765 15.579 ( -5.000 -9.100 -2.685) 10.724 15.579 ( -5.000 -9.100 2.685) 10.724 15.889 ( 6.538 -6.509 -3.968) 10.043 15.889 ( 6.538 -6.509 3.968) 10.043 16.123 ( -0.112 -4.094 -1.394) 4.326 16.123 ( -0.112 -4.094 1.394) 4.326 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 0.891 4.046 -0.174) 4.147 2.352 ( 0.891 4.046 0.174) 4.147 2.429 ( -0.437 2.469 -1.829) 3.103 2.429 ( -0.437 2.469 1.829) 3.103 2.606 ( 0.253 0.188 -1.647) 1.676 2.606 ( 0.253 0.188 1.647) 1.676 2.680 ( -2.044 -2.058 -2.801) 4.032 2.680 ( -2.044 -2.058 2.801) 4.032 3.214 ( -1.370 6.889 -1.184) 7.123 3.214 ( -1.370 6.889 1.184) 7.123 3.404 ( -1.532 6.226 -2.204) 6.780 3.404 ( -1.532 6.226 2.204) 6.780 3.516 ( 5.420 7.952 -1.927) 9.815 3.516 ( 5.420 7.952 1.927) 9.815 3.688 ( -3.815 0.314 -1.883) 4.266 3.688 ( -3.815 0.314 1.883) 4.266 3.878 ( 3.714 -4.379 -9.824) 11.379 3.878 ( 3.714 -4.379 9.824) 11.379 3.993 ( -4.129 -4.725 -9.500) 11.385 3.993 ( -4.129 -4.725 9.500) 11.385 4.197 ( 4.872 -2.298 -2.650) 6.003 4.197 ( 4.872 -2.298 2.650) 6.003 4.488 ( -4.006 -3.990 -3.297) 6.545 4.488 ( -4.006 -3.990 3.297) 6.545 4.706 ( 4.172 5.227 -0.572) 6.712 4.706 ( 4.172 5.227 0.572) 6.712 4.893 ( -2.815 0.129 -0.235) 2.828 4.893 ( -2.815 0.129 0.235) 2.828 5.431 ( 2.778 13.479 -1.996) 13.907 5.431 ( 2.778 13.479 1.996) 13.907 5.513 ( -3.719 11.821 -2.224) 12.590 5.513 ( -3.719 11.821 2.224) 12.590 5.889 ( 1.628 13.580 -2.118) 13.840 5.889 ( 1.628 13.580 2.118) 13.840 5.908 ( -0.359 13.781 -1.457) 13.862 5.908 ( -0.359 13.781 1.457) 13.862 7.029 ( 1.152 0.593 -0.786) 1.516 7.029 ( 1.152 0.593 0.786) 1.516 7.158 ( -1.732 0.921 -0.815) 2.125 7.158 ( -1.732 0.921 0.815) 2.125 7.462 ( 1.535 -3.294 -1.801) 4.055 7.462 ( 1.535 -3.294 1.801) 4.055 7.667 ( 0.263 -8.670 -2.143) 8.935 7.667 ( 0.263 -8.670 2.143) 8.935 9.217 ( 1.524 9.518 -3.428) 10.230 9.217 ( 1.524 9.518 3.428) 10.230 9.368 ( -0.725 6.547 -4.626) 8.049 9.368 ( -0.725 6.547 4.626) 8.049 9.797 ( 13.439 -6.165 -2.824) 15.053 9.797 ( 13.439 -6.165 2.824) 15.053 9.931 ( 0.881 4.255 -4.151) 6.010 9.931 ( 0.881 4.255 4.151) 6.010 10.133 ( -11.768 -3.799 -7.495) 14.461 10.133 ( -11.768 -3.799 7.495) 14.461 10.478 ( 3.345 -6.747 -1.570) 7.693 10.478 ( 3.345 -6.747 1.570) 7.693 10.904 ( 2.158 6.043 -4.495) 7.834 10.904 ( 2.158 6.043 4.495) 7.834 11.093 ( -7.196 13.699 -3.061) 15.774 11.093 ( -7.196 13.699 3.061) 15.774 11.611 ( -4.100 6.845 -6.563) 10.332 11.611 ( -4.100 6.845 6.563) 10.332 11.651 ( -2.532 -6.392 -6.512) 9.470 11.651 ( -2.532 -6.392 6.512) 9.470 12.104 ( 0.618 -1.592 -3.719) 4.093 12.104 ( 0.618 -1.592 3.719) 4.093 12.283 ( 3.687 -2.394 -1.568) 4.667 12.283 ( 3.687 -2.394 1.568) 4.667 12.524 ( 0.039 -1.621 -4.785) 5.053 12.524 ( 0.039 -1.621 4.785) 5.053 12.842 ( 4.811 -0.196 -3.058) 5.704 12.842 ( 4.811 -0.196 3.058) 5.704 12.997 ( -3.673 -1.665 -4.433) 5.993 12.997 ( -3.673 -1.665 4.433) 5.993 13.060 ( -1.555 -6.096 -2.055) 6.619 13.060 ( -1.555 -6.096 2.055) 6.619 15.341 ( 0.109 -4.718 -1.505) 4.953 15.341 ( 0.109 -4.718 1.505) 4.953 15.507 ( -2.110 -9.050 -0.895) 9.335 15.507 ( -2.110 -9.050 0.895) 9.335 15.992 ( 3.313 -4.104 -2.387) 5.789 15.992 ( 3.313 -4.104 2.387) 5.789 16.115 ( -0.544 -5.666 -1.481) 5.881 16.115 ( -0.544 -5.666 1.481) 5.881 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.000 1.063 -0.571) 1.206 2.357 ( 0.000 1.063 0.571) 1.206 2.482 ( 0.000 0.756 -1.492) 1.672 2.482 ( 0.000 0.756 1.492) 1.672 2.662 ( 0.000 0.717 -1.320) 1.502 2.662 ( 0.000 0.717 1.320) 1.502 2.750 ( 0.000 0.387 -1.979) 2.017 2.750 ( 0.000 0.387 1.979) 2.017 3.349 ( 0.000 0.499 -1.597) 1.673 3.349 ( 0.000 0.499 1.597) 1.673 3.482 ( 0.000 0.989 -1.018) 1.419 3.482 ( 0.000 0.989 1.018) 1.419 3.545 ( 0.000 7.253 -2.712) 7.743 3.545 ( 0.000 7.253 2.712) 7.743 3.654 ( 0.000 -3.766 -1.784) 4.168 3.654 ( 0.000 -3.766 1.784) 4.168 3.756 ( 0.000 0.369 -2.065) 2.098 3.756 ( 0.000 0.369 2.065) 2.098 4.042 ( 0.000 -6.340 -0.882) 6.401 4.042 ( 0.000 -6.340 0.882) 6.401 4.072 ( 0.000 4.003 -2.334) 4.633 4.072 ( 0.000 4.003 2.334) 4.633 4.329 ( 0.000 -6.615 -1.795) 6.854 4.329 ( 0.000 -6.615 1.795) 6.854 4.717 ( 0.000 2.298 -0.705) 2.404 4.717 ( 0.000 2.298 0.705) 2.404 5.069 ( 0.000 2.427 -0.022) 2.427 5.069 ( 0.000 2.427 0.022) 2.427 5.603 ( 0.000 5.681 -0.400) 5.695 5.603 ( 0.000 5.681 0.400) 5.695 5.765 ( 0.000 4.024 -1.024) 4.152 5.765 ( 0.000 4.024 1.024) 4.152 5.999 ( 0.000 4.679 -0.262) 4.686 5.999 ( 0.000 4.679 0.262) 4.686 6.084 ( 0.000 4.723 -0.093) 4.724 6.084 ( 0.000 4.723 0.093) 4.724 6.846 ( 0.000 -5.204 -0.494) 5.227 6.846 ( 0.000 -5.204 0.494) 5.227 7.295 ( 0.000 0.983 -0.932) 1.355 7.295 ( 0.000 0.983 0.932) 1.355 7.400 ( 0.000 5.377 -2.161) 5.795 7.400 ( 0.000 5.377 2.161) 5.795 7.533 ( 0.000 -6.224 -4.300) 7.565 7.533 ( 0.000 -6.224 4.300) 7.565 9.206 ( 0.000 1.378 -0.560) 1.487 9.206 ( 0.000 1.378 0.560) 1.487 9.401 ( 0.000 0.629 -2.827) 2.896 9.401 ( 0.000 0.629 2.827) 2.896 9.579 ( 0.000 1.832 -3.428) 3.887 9.579 ( 0.000 1.832 3.428) 3.887 10.034 ( 0.000 3.946 -1.551) 4.240 10.034 ( 0.000 3.946 1.551) 4.240 10.195 ( 0.000 4.674 -2.093) 5.121 10.195 ( 0.000 4.674 2.093) 5.121 10.502 ( 0.000 -4.832 -4.224) 6.418 10.502 ( 0.000 -4.832 4.224) 6.418 11.004 ( 0.000 1.440 -0.891) 1.693 11.004 ( 0.000 1.440 0.891) 1.693 11.346 ( 0.000 4.175 -0.654) 4.226 11.346 ( 0.000 4.175 0.654) 4.226 11.572 ( 0.000 -4.391 -4.032) 5.961 11.572 ( 0.000 -4.391 4.032) 5.961 11.932 ( 0.000 -3.245 -1.797) 3.709 11.932 ( 0.000 -3.245 1.797) 3.709 12.021 ( 0.000 0.695 -0.936) 1.166 12.021 ( 0.000 0.695 0.936) 1.166 12.257 ( 0.000 2.489 -15.449) 15.649 12.257 ( 0.000 2.489 15.449) 15.649 12.289 ( 0.000 -1.116 -13.990) 14.035 12.289 ( 0.000 -1.116 13.990) 14.035 12.790 ( 0.000 -0.237 -1.528) 1.546 12.790 ( 0.000 -0.237 1.528) 1.546 12.950 ( 0.000 -2.736 -2.127) 3.466 12.950 ( 0.000 -2.736 2.127) 3.466 13.133 ( 0.000 0.104 -1.020) 1.025 13.133 ( 0.000 0.104 1.020) 1.025 15.344 ( 0.000 2.194 -4.262) 4.793 15.344 ( 0.000 2.194 4.262) 4.793 15.470 ( 0.000 -7.597 -1.581) 7.760 15.470 ( 0.000 -7.597 1.581) 7.760 15.716 ( 0.000 -1.766 -0.076) 1.768 15.716 ( 0.000 -1.766 0.076) 1.768 16.071 ( 0.000 -1.382 -0.105) 1.386 16.071 ( 0.000 -1.382 0.105) 1.386 ======================= Grid point 222 (71/72) ======================= q-point: ( 0.20 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 1.570 1.110 -0.486) 1.983 2.373 ( 1.570 1.110 0.486) 1.983 2.477 ( -0.614 0.869 -1.420) 1.774 2.477 ( -0.614 0.869 1.420) 1.774 2.635 ( -2.107 0.350 -1.565) 2.648 2.635 ( -2.107 0.350 1.565) 2.648 2.710 ( -3.551 -0.337 -2.597) 4.412 2.710 ( -3.551 -0.337 2.597) 4.412 3.350 ( 0.231 2.615 -2.879) 3.896 3.350 ( 0.231 2.615 2.879) 3.896 3.502 ( 1.363 2.208 -0.784) 2.711 3.502 ( 1.363 2.208 0.784) 2.711 3.557 ( 0.602 4.517 -1.867) 4.924 3.557 ( 0.602 4.517 1.867) 4.924 3.703 ( 4.499 -3.918 -1.214) 6.088 3.703 ( 4.499 -3.918 1.214) 6.088 3.759 ( 0.207 3.688 -2.289) 4.345 3.759 ( 0.207 3.688 2.289) 4.345 3.929 ( -4.851 -8.131 -6.288) 11.366 3.929 ( -4.851 -8.131 6.288) 11.366 4.160 ( 3.101 5.546 -2.326) 6.766 4.160 ( 3.101 5.546 2.326) 6.766 4.348 ( 1.045 -9.191 -1.534) 9.377 4.348 ( 1.045 -9.191 1.534) 9.377 4.723 ( 1.359 2.552 -0.309) 2.908 4.723 ( 1.359 2.552 0.309) 2.908 5.028 ( -4.024 2.208 -0.108) 4.592 5.028 ( -4.024 2.208 0.108) 4.592 5.597 ( -0.148 5.335 -0.505) 5.360 5.597 ( -0.148 5.335 0.505) 5.360 5.736 ( -2.728 3.993 -0.882) 4.915 5.736 ( -2.728 3.993 0.882) 4.915 6.028 ( 2.515 4.805 -0.685) 5.467 6.028 ( 2.515 4.805 0.685) 5.467 6.091 ( 0.574 4.857 -0.200) 4.895 6.091 ( 0.574 4.857 0.200) 4.895 6.897 ( 4.946 -4.080 -0.269) 6.417 6.897 ( 4.946 -4.080 0.269) 6.417 7.267 ( -3.035 2.679 -1.266) 4.241 7.267 ( -3.035 2.679 1.266) 4.241 7.421 ( 1.719 3.017 -0.928) 3.594 7.421 ( 1.719 3.017 0.928) 3.594 7.523 ( -0.640 -6.414 -3.890) 7.529 7.523 ( -0.640 -6.414 3.890) 7.529 9.289 ( 7.466 3.982 -1.049) 8.526 9.289 ( 7.466 3.982 1.049) 8.526 9.421 ( 2.718 -0.563 -2.145) 3.508 9.421 ( 2.718 -0.563 2.145) 3.508 9.569 ( -0.844 0.944 -4.062) 4.255 9.569 ( -0.844 0.944 4.062) 4.255 10.060 ( 1.919 6.028 -1.438) 6.487 10.060 ( 1.919 6.028 1.438) 6.487 10.214 ( 1.116 1.583 -2.260) 2.976 10.214 ( 1.116 1.583 2.260) 2.976 10.377 ( -10.945 -7.297 -2.473) 13.385 10.377 ( -10.945 -7.297 2.473) 13.385 11.023 ( 2.069 5.255 -3.179) 6.481 11.023 ( 2.069 5.255 3.179) 6.481 11.353 ( -0.168 4.273 -1.210) 4.444 11.353 ( -0.168 4.273 1.210) 4.444 11.535 ( -2.955 -4.628 -3.526) 6.526 11.535 ( -2.955 -4.628 3.526) 6.526 11.797 ( -8.430 -2.779 -1.253) 8.964 11.797 ( -8.430 -2.779 1.253) 8.964 12.096 ( 2.466 0.028 -0.969) 2.650 12.096 ( 2.466 0.028 0.969) 2.650 12.217 ( -0.522 3.963 -8.514) 9.405 12.217 ( -0.522 3.963 8.514) 9.405 12.387 ( 6.695 -3.638 -10.469) 12.948 12.387 ( 6.695 -3.638 10.469) 12.948 12.824 ( 1.466 0.481 -1.676) 2.278 12.824 ( 1.466 0.481 1.676) 2.278 12.914 ( -2.003 -3.198 -2.462) 4.505 12.914 ( -2.003 -3.198 2.462) 4.505 13.113 ( -2.048 0.365 -1.099) 2.353 13.113 ( -2.048 0.365 1.099) 2.353 15.315 ( -2.094 0.567 -2.651) 3.426 15.315 ( -2.094 0.567 2.651) 3.426 15.424 ( -3.539 -5.639 -1.183) 6.762 15.424 ( -3.539 -5.639 1.183) 6.762 15.805 ( 7.128 -2.114 -1.457) 7.577 15.805 ( 7.128 -2.114 1.457) 7.577 16.067 ( -0.579 -1.464 -0.477) 1.645 16.067 ( -0.579 -1.464 0.477) 1.645 ======================= Grid point 224 (72/72) ======================= q-point: ( 0.40 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 1.809 1.667 -0.460) 2.503 2.409 ( 1.809 1.667 0.460) 2.503 2.456 ( -1.387 0.434 -1.056) 1.796 2.456 ( -1.387 0.434 1.056) 1.796 2.607 ( -0.381 0.115 -1.408) 1.463 2.607 ( -0.381 0.115 1.408) 1.463 2.643 ( -2.531 -1.322 -1.735) 3.341 2.643 ( -2.531 -1.322 1.735) 3.341 3.356 ( 0.284 7.202 -2.142) 7.520 3.356 ( 0.284 7.202 2.142) 7.520 3.498 ( -0.886 -1.148 -0.715) 1.617 3.498 ( -0.886 -1.148 0.715) 1.617 3.596 ( 2.429 2.414 -1.918) 3.925 3.596 ( 2.429 2.414 1.918) 3.925 3.723 ( -2.364 1.990 -1.926) 3.641 3.723 ( -2.364 1.990 1.926) 3.641 3.786 ( 2.089 -0.598 -0.875) 2.343 3.786 ( 2.089 -0.598 0.875) 2.343 3.910 ( 1.569 -5.757 -3.034) 6.694 3.910 ( 1.569 -5.757 3.034) 6.694 4.192 ( 0.810 4.167 -0.971) 4.355 4.192 ( 0.810 4.167 0.971) 4.355 4.339 ( -1.529 -8.997 -1.581) 9.262 4.339 ( -1.529 -8.997 1.581) 9.262 4.793 ( 5.512 2.535 -0.233) 6.072 4.793 ( 5.512 2.535 0.233) 6.072 4.924 ( -6.198 1.443 -0.196) 6.367 4.924 ( -6.198 1.443 0.196) 6.367 5.613 ( 1.963 4.770 -0.621) 5.195 5.613 ( 1.963 4.770 0.621) 5.195 5.672 ( -3.466 4.063 -0.762) 5.394 5.672 ( -3.466 4.063 0.762) 5.394 6.076 ( 1.962 5.001 -0.824) 5.435 6.076 ( 1.962 5.001 0.824) 5.435 6.097 ( -0.227 5.018 -0.573) 5.056 6.097 ( -0.227 5.018 0.573) 5.056 7.021 ( 7.015 -0.812 -0.325) 7.069 7.021 ( 7.015 -0.812 0.325) 7.069 7.173 ( -6.210 0.693 -1.110) 6.346 7.173 ( -6.210 0.693 1.110) 6.346 7.447 ( 0.682 1.596 -0.327) 1.767 7.447 ( 0.682 1.596 0.327) 1.767 7.521 ( 0.294 -5.832 -1.537) 6.038 7.521 ( 0.294 -5.832 1.537) 6.038 9.400 ( 3.164 8.151 -3.141) 9.291 9.400 ( 3.164 8.151 3.141) 9.291 9.484 ( -0.687 3.710 -3.405) 5.082 9.484 ( -0.687 3.710 3.405) 5.082 9.653 ( 14.176 -6.468 -1.518) 15.655 9.653 ( 14.176 -6.468 1.518) 15.655 9.989 ( -16.245 -2.929 -1.116) 16.545 9.989 ( -16.245 -2.929 1.116) 16.545 10.122 ( -1.019 7.775 -2.362) 8.189 10.122 ( -1.019 7.775 2.362) 8.189 10.316 ( 2.073 -9.574 -0.669) 9.819 10.316 ( 2.073 -9.574 0.669) 9.819 11.071 ( 2.041 11.095 -2.077) 11.471 11.071 ( 2.041 11.095 2.077) 11.471 11.324 ( -1.863 -0.180 -1.021) 2.132 11.324 ( -1.863 -0.180 1.021) 2.132 11.487 ( -1.588 1.129 -1.377) 2.386 11.487 ( -1.588 1.129 1.377) 2.386 11.674 ( -3.308 -4.548 -0.784) 5.678 11.674 ( -3.308 -4.548 0.784) 5.678 12.109 ( -0.100 3.880 -2.385) 4.556 12.109 ( -0.100 3.880 2.385) 4.556 12.224 ( 0.345 -4.084 -1.701) 4.438 12.224 ( 0.345 -4.084 1.701) 4.438 12.527 ( 6.595 1.618 -3.750) 7.757 12.527 ( 6.595 1.618 3.750) 7.757 12.751 ( -5.839 -6.002 -1.666) 8.538 12.751 ( -5.839 -6.002 1.666) 8.538 12.965 ( 4.903 0.396 -1.526) 5.150 12.965 ( 4.903 0.396 1.526) 5.150 13.054 ( -3.895 0.757 -1.067) 4.109 13.054 ( -3.895 0.757 1.067) 4.109 15.292 ( -0.134 -0.239 -0.783) 0.829 15.292 ( -0.134 -0.239 0.783) 0.829 15.360 ( -2.428 -5.139 -0.291) 5.691 15.360 ( -2.428 -5.139 0.291) 5.691 15.940 ( 5.840 -1.287 -1.144) 6.088 15.940 ( 5.840 -1.287 1.144) 6.088 16.037 ( -2.689 -2.140 -0.785) 3.525 16.037 ( -2.689 -2.140 0.785) 3.525 =================== 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 3/25200 10.0 4703.370 4665.122 3578.683 0.000 0.000 0.000 3/25200 20.0 642.507 855.143 569.268 0.000 0.000 0.000 3/25200 30.0 210.865 337.617 186.957 0.000 0.000 0.000 3/25200 40.0 107.814 198.808 97.260 0.000 0.000 0.000 3/25200 50.0 68.419 138.260 62.766 0.000 0.000 0.000 3/25200 60.0 48.567 103.631 45.125 0.000 0.000 0.000 3/25200 70.0 36.799 80.999 34.510 0.000 0.000 0.000 3/25200 80.0 29.119 65.201 27.487 0.000 0.000 0.000 3/25200 90.0 23.791 53.751 22.559 0.000 0.000 0.000 3/25200 100.0 19.935 45.228 18.958 0.000 0.000 0.000 3/25200 110.0 17.051 38.741 16.244 0.000 0.000 0.000 3/25200 120.0 14.836 33.706 14.148 0.000 0.000 0.000 3/25200 130.0 13.096 29.724 12.492 0.000 0.000 0.000 3/25200 140.0 11.701 26.523 11.162 0.000 0.000 0.000 3/25200 150.0 10.564 23.909 10.074 0.000 0.000 0.000 3/25200 160.0 9.622 21.744 9.172 0.000 0.000 0.000 3/25200 170.0 8.832 19.928 8.414 0.000 0.000 0.000 3/25200 180.0 8.160 18.386 7.770 0.000 0.000 0.000 3/25200 190.0 7.584 17.065 7.216 0.000 0.000 0.000 3/25200 200.0 7.084 15.920 6.736 0.000 0.000 0.000 3/25200 210.0 6.646 14.920 6.316 0.000 0.000 0.000 3/25200 220.0 6.260 14.040 5.946 0.000 0.000 0.000 3/25200 230.0 5.918 13.260 5.617 0.000 0.000 0.000 3/25200 240.0 5.612 12.564 5.324 0.000 0.000 0.000 3/25200 250.0 5.336 11.939 5.060 0.000 0.000 0.000 3/25200 260.0 5.088 11.375 4.822 0.000 0.000 0.000 3/25200 270.0 4.862 10.863 4.606 0.000 0.000 0.000 3/25200 280.0 4.655 10.397 4.408 0.000 0.000 0.000 3/25200 290.0 4.467 9.970 4.228 0.000 0.000 0.000 3/25200 300.0 4.293 9.578 4.062 0.000 0.000 0.000 3/25200 310.0 4.133 9.217 3.909 0.000 0.000 0.000 3/25200 320.0 3.984 8.883 3.768 0.000 0.000 0.000 3/25200 330.0 3.847 8.573 3.636 0.000 0.000 0.000 3/25200 340.0 3.718 8.285 3.514 0.000 0.000 0.000 3/25200 350.0 3.599 8.016 3.400 0.000 0.000 0.000 3/25200 360.0 3.487 7.764 3.294 0.000 0.000 0.000 3/25200 370.0 3.382 7.529 3.194 0.000 0.000 0.000 3/25200 380.0 3.283 7.307 3.100 0.000 0.000 0.000 3/25200 390.0 3.190 7.099 3.011 0.000 0.000 0.000 3/25200 400.0 3.103 6.903 2.928 0.000 0.000 0.000 3/25200 410.0 3.020 6.717 2.850 0.000 0.000 0.000 3/25200 420.0 2.941 6.542 2.775 0.000 0.000 0.000 3/25200 430.0 2.867 6.376 2.705 0.000 0.000 0.000 3/25200 440.0 2.797 6.218 2.638 0.000 0.000 0.000 3/25200 450.0 2.729 6.068 2.574 0.000 0.000 0.000 3/25200 460.0 2.666 5.925 2.513 0.000 0.000 0.000 3/25200 470.0 2.605 5.789 2.456 0.000 0.000 0.000 3/25200 480.0 2.547 5.660 2.401 0.000 0.000 0.000 3/25200 490.0 2.491 5.536 2.348 0.000 0.000 0.000 3/25200 500.0 2.438 5.418 2.298 0.000 0.000 0.000 3/25200 510.0 2.387 5.304 2.250 0.000 0.000 0.000 3/25200 520.0 2.339 5.196 2.204 0.000 0.000 0.000 3/25200 530.0 2.292 5.092 2.160 0.000 0.000 0.000 3/25200 540.0 2.247 4.992 2.117 0.000 0.000 0.000 3/25200 550.0 2.204 4.896 2.076 0.000 0.000 0.000 3/25200 560.0 2.163 4.803 2.037 0.000 0.000 0.000 3/25200 570.0 2.123 4.715 2.000 0.000 0.000 0.000 3/25200 580.0 2.085 4.629 1.963 0.000 0.000 0.000 3/25200 590.0 2.048 4.547 1.928 0.000 0.000 0.000 3/25200 600.0 2.012 4.467 1.895 0.000 0.000 0.000 3/25200 610.0 1.977 4.391 1.862 0.000 0.000 0.000 3/25200 620.0 1.944 4.317 1.831 0.000 0.000 0.000 3/25200 630.0 1.912 4.245 1.800 0.000 0.000 0.000 3/25200 640.0 1.881 4.176 1.771 0.000 0.000 0.000 3/25200 650.0 1.851 4.109 1.743 0.000 0.000 0.000 3/25200 660.0 1.822 4.044 1.715 0.000 0.000 0.000 3/25200 670.0 1.794 3.981 1.688 0.000 0.000 0.000 3/25200 680.0 1.766 3.921 1.663 0.000 0.000 0.000 3/25200 690.0 1.740 3.862 1.638 0.000 0.000 0.000 3/25200 700.0 1.714 3.805 1.613 0.000 0.000 0.000 3/25200 710.0 1.689 3.749 1.590 0.000 0.000 0.000 3/25200 720.0 1.665 3.695 1.567 0.000 0.000 0.000 3/25200 730.0 1.641 3.643 1.545 0.000 0.000 0.000 3/25200 740.0 1.619 3.592 1.523 0.000 0.000 0.000 3/25200 750.0 1.596 3.543 1.502 0.000 0.000 0.000 3/25200 760.0 1.575 3.495 1.482 0.000 0.000 0.000 3/25200 770.0 1.554 3.448 1.462 0.000 0.000 0.000 3/25200 780.0 1.533 3.403 1.443 0.000 0.000 0.000 3/25200 790.0 1.513 3.358 1.424 0.000 0.000 0.000 3/25200 800.0 1.494 3.315 1.406 0.000 0.000 0.000 3/25200 810.0 1.475 3.273 1.388 0.000 0.000 0.000 3/25200 820.0 1.457 3.232 1.370 0.000 0.000 0.000 3/25200 830.0 1.439 3.192 1.354 0.000 0.000 0.000 3/25200 840.0 1.421 3.153 1.337 0.000 0.000 0.000 3/25200 850.0 1.404 3.115 1.321 0.000 0.000 0.000 3/25200 860.0 1.387 3.078 1.305 0.000 0.000 0.000 3/25200 870.0 1.371 3.042 1.290 0.000 0.000 0.000 3/25200 880.0 1.355 3.007 1.275 0.000 0.000 0.000 3/25200 890.0 1.340 2.972 1.260 0.000 0.000 0.000 3/25200 900.0 1.324 2.938 1.246 0.000 0.000 0.000 3/25200 910.0 1.310 2.905 1.232 0.000 0.000 0.000 3/25200 920.0 1.295 2.873 1.218 0.000 0.000 0.000 3/25200 930.0 1.281 2.842 1.205 0.000 0.000 0.000 3/25200 940.0 1.267 2.811 1.192 0.000 0.000 0.000 3/25200 950.0 1.253 2.781 1.179 0.000 0.000 0.000 3/25200 960.0 1.240 2.751 1.166 0.000 0.000 0.000 3/25200 970.0 1.227 2.722 1.154 0.000 0.000 0.000 3/25200 980.0 1.214 2.694 1.142 0.000 0.000 0.000 3/25200 990.0 1.202 2.666 1.130 0.000 0.000 0.000 3/25200 1000.0 1.190 2.639 1.119 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m5154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:33:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|